#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf2 s ASP 2 N 0.00 -0.38 0.00 6.12 3.84 -1.26 -5.01 116.67 119.98 1uf2 s ASP 2 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 52.55 52.47 1uf2 s ASP 2 Cb 0.00 0.46 0.00 0.00 -1.38 0.00 0.00 42.92 42.00 1uf2 s ASP 2 CO 0.00 -0.77 0.36 -1.20 -0.00 0.00 0.00 175.17 173.56 1uf2 n SER 3 N -0.32 0.00 0.02 2.11 7.64 -1.26 -0.78 113.62 121.04 1uf2 n SER 3 Ca -0.10 0.05 0.12 0.00 1.01 0.00 0.00 58.87 59.96 1uf2 n SER 3 Cb 0.62 -0.05 0.31 0.00 -1.01 0.00 0.00 64.21 64.08 1uf2 n SER 3 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1uf2 n THR 4 N -0.86 0.13 0.00 0.44 5.66 -1.26 -5.00 114.28 113.39 1uf2 n THR 4 Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1uf2 n THR 4 Cb 0.21 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 1uf2 n THR 4 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1uf2 n GLY 5 N 1.44 0.97 3.44 1.09 0.00 0.04 -5.02 105.19 107.16 1uf2 n GLY 5 Ca 0.05 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1uf2 n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uf2 n ARG 6 N 0.00 -0.75 -0.47 1.61 -4.01 -1.26 -2.97 116.66 108.80 1uf2 n ARG 6 Ca 0.00 -0.18 0.00 0.00 -1.04 0.00 0.00 57.85 56.63 1uf2 n ARG 6 Cb 0.00 -1.94 0.00 0.00 -3.04 0.00 0.00 32.46 27.48 1uf2 n ARG 6 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1uf2 n ALA 7 N -3.99 0.00 -2.08 2.89 0.00 -1.26 -3.95 120.51 112.12 1uf2 n ALA 7 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1uf2 n ALA 7 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 1uf2 n ALA 7 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1uf2 n TYR 8 N -0.51 2.89 -0.01 0.00 4.02 -1.26 -4.90 117.16 117.38 1uf2 n TYR 8 Ca 0.00 -2.85 0.00 0.00 -0.01 0.00 0.00 57.90 55.04 1uf2 n TYR 8 Cb 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 39.34 37.27 1uf2 n TYR 8 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1uf2 n ASP 9 N 3.64 0.00 -3.37 7.72 5.68 -1.26 -5.06 116.55 123.90 1uf2 n ASP 9 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 1uf2 n ASP 9 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1uf2 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uf2 n GLY 10 N 5.00 -2.76 3.84 6.12 0.00 -1.26 -5.00 105.19 111.13 1uf2 n GLY 10 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1uf2 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf2 s ALA 11 N -2.11 3.75 -0.34 4.61 0.00 -1.26 -5.05 121.76 121.35 1uf2 s ALA 11 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1uf2 s ALA 11 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.55 1uf2 s ALA 11 CO 0.00 0.71 1.25 -1.54 0.00 0.00 0.00 175.76 176.18 1uf2 s SER 12 N -2.63 6.67 -0.63 0.00 1.04 -1.26 -4.96 113.70 111.94 1uf2 s SER 12 Ca 0.32 1.02 -0.27 0.00 0.48 0.00 0.00 55.95 57.49 1uf2 s SER 12 Cb -0.12 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.49 1uf2 s SER 12 CO 0.25 -1.11 1.20 -1.83 0.98 0.00 0.00 173.24 172.72 1uf2 s GLU 13 N 4.21 3.40 -0.32 4.02 -1.05 -1.26 -5.00 118.70 122.70 1uf2 s GLU 13 Ca 0.54 0.05 -0.24 0.00 -0.15 0.00 0.00 54.97 55.16 1uf2 s GLU 13 Cb -0.14 -4.07 0.00 0.00 -0.44 0.00 0.00 34.13 29.49 1uf2 s GLU 13 CO 0.24 -1.81 0.83 0.12 0.95 0.00 0.00 175.26 175.60 1uf2 s PHE 14 N 5.09 3.18 -0.31 4.83 5.36 -1.26 -5.05 117.98 129.83 1uf2 s PHE 14 Ca 0.39 0.83 -0.20 0.00 -0.96 0.00 0.00 56.93 56.99 1uf2 s PHE 14 Cb -0.08 -3.33 -0.01 0.00 -0.34 0.00 0.00 43.02 39.26 1uf2 s PHE 14 CO 0.22 -0.63 0.62 0.15 -1.46 0.00 0.00 175.22 174.12 1uf2 s LYS 15 N 3.09 3.90 0.16 10.12 3.01 -1.26 -4.96 119.74 133.80 1uf2 s LYS 15 Ca 0.34 0.28 0.25 0.00 -1.01 0.00 0.00 55.97 55.84 1uf2 s LYS 15 Cb -0.14 -3.73 0.62 0.00 -1.01 0.00 0.00 37.83 33.57 1uf2 s LYS 15 CO 0.14 -0.57 1.58 -1.13 0.51 0.00 0.00 175.35 175.88 1uf2 n SER 16 N 5.87 0.75 -0.07 2.83 3.41 -1.26 -3.66 113.62 121.49 1uf2 n SER 16 Ca -0.01 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 59.10 1uf2 n SER 16 Cb 0.49 -0.37 0.54 0.00 -0.26 0.00 0.00 64.21 64.61 1uf2 n SER 16 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1uf2 h VAL 17 N 0.00 0.85 0.00 -3.33 2.07 -1.99 -2.75 116.25 111.10 1uf2 h VAL 17 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1uf2 h VAL 17 Cb 0.73 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1uf2 h VAL 17 CO 0.00 0.06 0.00 -0.07 0.02 0.00 0.00 177.57 177.58 1uf2 h LEU 18 N 0.32 0.00 0.00 2.57 3.38 -1.99 -3.31 115.31 116.28 1uf2 h LEU 18 Ca 0.28 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.99 1uf2 h LEU 18 Cb 0.67 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1uf2 h LEU 18 CO -0.07 0.00 -1.80 0.52 0.09 0.00 0.00 178.44 177.18 1uf2 n VAL 19 N -2.64 1.22 0.00 1.22 0.31 -1.05 -4.39 118.33 113.01 1uf2 n VAL 19 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1uf2 n VAL 19 Cb 0.19 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1uf2 n VAL 19 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1uf2 n THR 20 N -4.01 0.00 -4.15 2.52 -1.04 -1.18 -4.34 114.28 102.08 1uf2 n THR 20 Ca -0.33 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.33 1uf2 n THR 20 Cb 0.69 -0.94 -0.14 0.00 -1.82 0.00 0.00 70.33 68.13 1uf2 n THR 20 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1uf2 s GLU 21 N -1.33 3.45 0.00 -2.82 2.12 -1.25 -4.47 118.70 114.40 1uf2 s GLU 21 Ca 0.00 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1uf2 s GLU 21 Cb 0.00 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1uf2 s GLU 21 CO 0.00 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1uf2 n GLY 22 N 4.34 3.21 0.18 -1.50 0.00 -1.26 -4.88 105.19 105.29 1uf2 n GLY 22 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1uf2 n GLY 22 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1uf2 h THR 23 N 0.00 0.51 0.00 2.61 2.02 -1.78 -3.42 112.91 112.85 1uf2 h THR 23 Ca 0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1uf2 h THR 23 Cb 0.00 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1uf2 h THR 23 CO 0.00 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 174.48 1uf2 n SER 24 N -5.03 0.00 -4.74 4.18 3.41 -1.26 -4.57 113.62 105.61 1uf2 n SER 24 Ca -0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.13 1uf2 n SER 24 Cb 0.25 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1uf2 n SER 24 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1uf2 s HIS 25 N 0.00 3.77 -0.41 7.33 5.04 -1.26 -5.03 115.29 124.72 1uf2 s HIS 25 Ca 0.00 1.62 -0.16 0.00 -1.54 0.00 0.00 55.06 54.98 1uf2 s HIS 25 Cb 0.00 -2.92 0.02 0.00 0.04 0.00 0.00 32.58 29.72 1uf2 s HIS 25 CO 0.00 0.24 0.36 -0.47 -2.34 0.00 0.00 174.74 172.54 1uf2 s TYR 26 N -0.03 3.21 -0.25 3.88 5.04 -1.26 -4.90 117.35 123.04 1uf2 s TYR 26 Ca 0.42 -0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 54.51 1uf2 s TYR 26 Cb -0.22 -2.73 -0.02 0.00 0.35 0.00 0.00 41.96 39.34 1uf2 s TYR 26 CO 0.26 -0.63 0.06 0.99 -1.34 0.00 0.00 175.55 174.88 1uf2 s THR 27 N 1.90 4.17 0.45 4.34 2.01 -1.26 -5.08 115.64 122.18 1uf2 s THR 27 Ca 0.08 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 1uf2 s THR 27 Cb -0.18 -2.96 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 1uf2 s THR 27 CO 0.12 0.33 1.22 -2.16 -0.69 0.00 0.00 174.62 173.44 1uf2 s PRO 28 N 1.59 3.77 -0.20 4.92 0.04 -1.26 -5.02 135.00 138.84 1uf2 s PRO 28 Ca 0.06 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 1uf2 s PRO 28 Cb -0.15 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1uf2 s PRO 28 CO 0.03 -0.58 -0.01 0.08 0.04 0.00 0.00 177.00 176.55 1uf2 s VAL 29 N -1.44 3.80 0.50 -0.36 1.01 -1.26 -5.10 120.40 117.56 1uf2 s VAL 29 Ca 0.62 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1uf2 s VAL 29 Cb -0.32 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 1uf2 s VAL 29 CO 0.40 0.43 1.09 -0.70 0.00 0.00 0.00 175.10 176.32 1uf2 s GLU 30 N 1.08 3.62 0.78 2.72 2.56 -1.26 -5.05 118.70 123.15 1uf2 s GLU 30 Ca 0.02 1.52 -0.12 0.00 0.00 0.00 0.00 54.97 56.40 1uf2 s GLU 30 Cb -0.14 -2.11 0.06 0.00 2.00 0.00 0.00 34.13 33.93 1uf2 s GLU 30 CO 0.01 -0.61 1.13 0.08 -0.56 0.00 0.00 175.26 175.31 1uf2 s VAL 31 N -1.82 2.73 0.01 3.70 1.01 -1.26 -4.88 120.40 119.89 1uf2 s VAL 31 Ca 0.69 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 1uf2 s VAL 31 Cb -0.21 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1uf2 s VAL 31 CO 0.25 -0.31 1.07 1.88 0.00 0.00 0.00 175.10 177.99 1uf2 h TYR 32 N -0.96 -0.31 -0.22 5.22 -1.99 -1.96 -1.38 116.97 115.36 1uf2 h TYR 32 Ca -0.46 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.32 1uf2 h TYR 32 Cb 1.29 0.10 -0.07 0.00 2.00 0.00 0.00 36.73 40.05 1uf2 h TYR 32 CO 0.40 -0.19 -0.35 -2.95 -0.00 0.00 0.00 178.16 175.07 1uf2 h ASN 33 N -0.35 -1.10 -0.67 3.88 7.08 -1.94 0.26 115.58 122.73 1uf2 h ASN 33 Ca -0.03 0.17 0.14 0.00 -3.08 0.00 0.00 56.30 53.49 1uf2 h ASN 33 Cb 0.26 0.48 -0.11 0.00 -2.08 0.00 0.00 38.32 36.87 1uf2 h ASN 33 CO 0.06 -0.36 0.08 0.40 -2.08 0.00 0.00 177.43 175.53 1uf2 h ILE 34 N -0.37 0.51 0.28 6.14 2.04 -1.81 0.89 117.51 125.20 1uf2 h ILE 34 Ca 0.12 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1uf2 h ILE 34 Cb 0.56 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1uf2 h ILE 34 CO -0.43 0.03 -0.26 -0.07 0.00 0.00 0.00 178.15 177.43 1uf2 h LEU 35 N 0.19 -0.68 0.07 1.44 3.38 0.02 -1.37 115.31 118.36 1uf2 h LEU 35 Ca 0.36 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1uf2 h LEU 35 Cb 0.60 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1uf2 h LEU 35 CO -0.52 -0.38 -0.06 -0.78 0.09 0.00 0.00 178.44 176.79 1uf2 h ASP 36 N -0.56 -0.16 -0.65 -0.43 1.82 0.30 -2.67 116.42 114.07 1uf2 h ASP 36 Ca -0.01 0.02 0.14 0.00 -0.39 0.00 0.00 57.03 56.78 1uf2 h ASP 36 Cb 0.51 0.06 -0.10 0.00 0.68 0.00 0.00 39.33 40.47 1uf2 h ASP 36 CO -0.04 -0.10 0.08 -0.33 -1.61 0.00 0.00 179.24 177.24 1uf2 h GLU 37 N -0.14 0.18 -0.42 0.28 5.08 0.91 0.30 114.58 120.77 1uf2 h GLU 37 Ca 0.00 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1uf2 h GLU 37 Cb 0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1uf2 h GLU 37 CO -0.01 0.12 0.29 -0.07 -1.00 0.00 0.00 179.01 178.34 1uf2 h LEU 38 N 0.19 0.08 0.02 1.33 3.38 -0.91 -1.56 115.31 117.83 1uf2 h LEU 38 Ca 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 1uf2 h LEU 38 Cb 0.57 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1uf2 h LEU 38 CO -0.50 0.05 -0.32 0.11 0.09 0.00 0.00 178.44 177.86 1uf2 h LYS 39 N 0.08 0.18 -0.98 1.13 1.57 -0.27 -3.13 116.57 115.15 1uf2 h LYS 39 Ca 0.20 -0.22 0.25 0.00 -1.87 0.00 0.00 60.65 59.00 1uf2 h LYS 39 Cb 0.67 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.98 1uf2 h LYS 39 CO -0.02 0.99 0.65 1.15 -0.57 0.00 0.00 179.45 181.66 1uf2 h THR 40 N -0.54 0.58 0.41 -0.16 2.02 -0.50 0.35 112.91 115.07 1uf2 h THR 40 Ca -0.05 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1uf2 h THR 40 Cb 1.12 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1uf2 h THR 40 CO 0.06 0.06 -0.20 0.40 0.37 0.00 0.00 175.52 176.22 1uf2 h ILE 41 N 0.33 0.60 -0.81 3.11 5.03 -1.27 -1.29 117.51 123.21 1uf2 h ILE 41 Ca 0.52 -0.10 0.08 0.00 -0.12 0.00 0.00 64.86 65.24 1uf2 h ILE 41 Cb 1.45 0.65 -0.07 0.00 -3.03 0.00 0.00 36.82 35.83 1uf2 h ILE 41 CO -0.19 0.02 0.48 0.11 -0.68 0.00 0.00 178.15 177.89 1uf2 h LYS 42 N -0.61 0.82 0.56 2.37 1.57 -0.91 0.76 116.57 121.14 1uf2 h LYS 42 Ca -0.06 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1uf2 h LYS 42 Cb 0.45 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1uf2 h LYS 42 CO 0.09 0.54 -0.32 0.82 -0.57 0.00 0.00 179.45 180.02 1uf2 h ILE 43 N 0.84 0.00 -0.59 1.86 1.08 -1.15 -1.63 117.51 117.93 1uf2 h ILE 43 Ca 0.37 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.87 1uf2 h ILE 43 Cb 0.26 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 1uf2 h ILE 43 CO -0.21 0.00 0.35 0.71 -0.69 0.00 0.00 178.15 178.32 1uf2 h THR 44 N -0.82 1.05 -0.69 -0.27 1.35 -1.08 -0.76 112.91 111.68 1uf2 h THR 44 Ca -0.08 -0.24 0.15 0.00 -0.55 0.00 0.00 66.41 65.69 1uf2 h THR 44 Cb 0.65 0.30 -0.13 0.00 -1.73 0.00 0.00 68.15 67.24 1uf2 h THR 44 CO 0.10 0.13 -0.08 -1.28 -0.25 0.00 0.00 175.52 174.13 1uf2 h SER 45 N 0.69 -0.48 -0.11 5.36 0.87 0.64 0.97 113.55 121.49 1uf2 h SER 45 Ca 0.24 0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.93 1uf2 h SER 45 Cb 0.05 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1uf2 h SER 45 CO -0.11 -0.19 -0.21 0.74 -0.53 0.00 0.00 176.83 176.53 1uf2 h THR 46 N 0.05 1.38 -0.91 2.23 2.02 -0.53 -1.50 112.91 115.66 1uf2 h THR 46 Ca 0.36 -1.48 0.14 0.00 0.77 0.00 0.00 66.41 66.20 1uf2 h THR 46 Cb 0.58 2.08 -0.09 0.00 -1.74 0.00 0.00 68.15 68.98 1uf2 h THR 46 CO -0.66 0.43 0.52 0.40 0.37 0.00 0.00 175.52 176.58 1uf2 h ILE 47 N -0.10 0.81 -0.37 3.11 2.04 -0.38 -0.78 117.51 121.85 1uf2 h ILE 47 Ca 0.01 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1uf2 h ILE 47 Cb 0.79 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1uf2 h ILE 47 CO 0.05 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1uf2 h ALA 48 N 1.55 0.49 -0.67 1.87 0.00 -0.73 -2.22 119.26 119.54 1uf2 h ALA 48 Ca 0.48 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1uf2 h ALA 48 Cb 0.59 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1uf2 h ALA 48 CO -0.32 0.26 0.27 1.49 0.00 0.00 0.00 179.25 180.95 1uf2 h GLU 49 N 0.46 0.99 0.00 0.00 4.81 -0.27 -2.84 114.58 117.73 1uf2 h GLU 49 Ca 0.10 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1uf2 h GLU 49 Cb 0.46 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1uf2 h GLU 49 CO 0.02 0.81 -0.39 1.04 -0.73 0.00 0.00 179.01 179.75 1uf2 n GLN 50 N -4.30 0.04 0.20 1.92 6.02 -0.40 -3.95 117.38 116.92 1uf2 n GLN 50 Ca 0.06 0.02 0.04 0.00 -0.01 0.00 0.00 57.00 57.10 1uf2 n GLN 50 Cb 0.17 -1.53 0.40 0.00 1.02 0.00 0.00 30.24 30.31 1uf2 n GLN 50 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1uf2 h SER 51 N 0.00 0.00 -3.05 1.08 4.64 -1.14 -3.44 113.55 111.65 1uf2 h SER 51 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1uf2 h SER 51 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.54 1uf2 h SER 51 CO 0.00 0.33 -0.37 -0.69 -0.87 0.00 0.00 176.83 175.23 1uf2 s VAL 52 N -4.23 5.32 -0.08 0.95 1.01 -1.25 -3.87 120.40 118.25 1uf2 s VAL 52 Ca -0.03 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1uf2 s VAL 52 Cb 0.14 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1uf2 s VAL 52 CO 0.71 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 175.46 1uf2 s VAL 53 N -0.27 1.44 -0.31 2.92 1.01 -0.80 -4.96 120.40 119.42 1uf2 s VAL 53 Ca 0.16 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1uf2 s VAL 53 Cb -0.13 -1.29 0.09 0.00 0.00 0.00 0.00 36.38 35.05 1uf2 s VAL 53 CO 0.05 0.42 0.06 -0.94 0.00 0.00 0.00 175.10 174.70 1uf2 s SER 54 N 0.68 4.22 0.09 3.32 1.04 -1.26 -2.42 113.70 119.37 1uf2 s SER 54 Ca -0.13 -1.73 0.03 0.00 0.48 0.00 0.00 55.95 54.59 1uf2 s SER 54 Cb -0.16 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.79 1uf2 s SER 54 CO 0.03 -0.38 -0.09 -0.60 0.98 0.00 0.00 173.24 173.19 1uf2 s ARG 55 N 1.37 0.82 -0.31 4.02 3.52 -1.26 -4.40 118.95 122.71 1uf2 s ARG 55 Ca 0.08 -1.19 -0.10 0.00 -0.13 0.00 0.00 55.73 54.39 1uf2 s ARG 55 Cb -0.18 -0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 32.80 1uf2 s ARG 55 CO -0.17 0.04 0.17 0.99 -0.81 0.00 0.00 175.30 175.52 1uf2 s THR 56 N -2.77 4.83 0.05 4.11 2.01 -1.26 -4.82 115.64 117.78 1uf2 s THR 56 Ca 0.06 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 1uf2 s THR 56 Cb -0.01 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1uf2 s THR 56 CO -0.02 0.10 1.31 -0.65 -0.69 0.00 0.00 174.62 174.68 1uf2 h PRO 57 N 8.37 -0.52 -3.73 4.92 0.11 -1.96 -3.39 132.00 135.80 1uf2 h PRO 57 Ca -0.33 0.04 -0.62 0.00 0.11 0.00 0.00 66.00 65.20 1uf2 h PRO 57 Cb 1.16 0.12 -0.40 0.00 0.11 0.00 0.00 31.00 31.98 1uf2 h PRO 57 CO 0.61 -0.35 -0.73 0.42 -0.21 0.00 0.00 178.00 177.74 1uf2 s ILE 58 N -4.58 1.58 0.20 4.15 1.01 -1.26 -5.00 121.20 117.30 1uf2 s ILE 58 Ca -0.10 -2.14 -0.31 0.00 0.00 0.00 0.00 60.65 58.10 1uf2 s ILE 58 Cb 0.03 -2.16 -0.10 0.00 0.01 0.00 0.00 42.46 40.24 1uf2 s ILE 58 CO 0.34 -0.72 1.50 -2.16 0.00 0.00 0.00 174.94 173.90 1uf2 s PRO 59 N 0.92 4.24 -0.00 2.79 0.04 -1.26 -4.96 135.00 136.77 1uf2 s PRO 59 Ca 0.13 2.32 -0.06 0.00 0.04 0.00 0.00 61.00 63.43 1uf2 s PRO 59 Cb -0.20 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1uf2 s PRO 59 CO -0.12 -0.51 0.24 -0.48 0.04 0.00 0.00 177.00 176.17 1uf2 s LEU 60 N 0.46 4.37 0.12 -3.56 0.05 -1.26 -4.96 118.68 113.90 1uf2 s LEU 60 Ca 0.65 0.51 0.06 0.00 0.05 0.00 0.00 54.13 55.41 1uf2 s LEU 60 Cb -0.42 -2.63 -0.04 0.00 -2.05 0.00 0.00 46.19 41.05 1uf2 s LEU 60 CO 0.37 0.26 -0.02 -0.94 -0.55 0.00 0.00 176.35 175.47 1uf2 s SER 61 N -1.70 4.79 0.70 1.48 1.04 -0.71 -5.00 113.70 114.30 1uf2 s SER 61 Ca 0.27 -0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 1uf2 s SER 61 Cb -0.13 -1.05 0.02 0.00 0.10 0.00 0.00 66.02 64.95 1uf2 s SER 61 CO 0.16 0.14 1.09 -0.54 0.98 0.00 0.00 173.24 175.07 1uf2 s LYS 62 N -2.51 2.84 -0.11 4.02 1.02 -1.26 -1.80 119.74 121.93 1uf2 s LYS 62 Ca 0.25 0.42 -0.30 0.00 0.02 0.00 0.00 55.97 56.36 1uf2 s LYS 62 Cb -0.11 -2.04 0.10 0.00 -0.52 0.00 0.00 37.83 35.27 1uf2 s LYS 62 CO 0.17 -1.03 0.86 -1.50 -0.92 0.00 0.00 175.35 172.94 1uf2 s ILE 63 N -3.34 0.00 0.28 2.17 2.07 -0.98 -4.78 121.20 116.62 1uf2 s ILE 63 Ca 0.58 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1uf2 s ILE 63 Cb -0.11 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 1uf2 s ILE 63 CO 0.51 0.00 0.49 -0.83 -1.91 0.00 0.00 174.94 173.20 1uf2 s GLY 64 N -1.17 1.59 0.22 1.50 0.00 -1.26 -0.81 107.32 107.39 1uf2 s GLY 64 Ca -0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 1uf2 s GLY 64 CO 0.05 -0.76 1.68 -2.00 0.00 0.00 0.00 173.10 172.07 1uf2 h LEU 65 N 1.37 -0.10 -1.34 0.66 5.85 -1.70 -0.55 115.31 119.49 1uf2 h LEU 65 Ca -0.49 0.14 0.21 0.00 0.84 0.00 0.00 57.88 58.58 1uf2 h LEU 65 Cb 1.20 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 1uf2 h LEU 65 CO 0.64 -0.05 0.62 0.06 -0.34 0.00 0.00 178.44 179.37 1uf2 h GLN 66 N 0.21 0.50 0.00 1.25 -0.00 -1.92 -0.20 115.11 114.95 1uf2 h GLN 66 Ca 0.35 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 1uf2 h GLN 66 Cb 0.57 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1uf2 h GLN 66 CO -0.49 0.33 0.00 -0.25 -0.00 0.00 0.00 178.83 178.43 1uf2 n ASP 67 N -4.60 0.00 -4.75 0.06 8.00 -0.22 -4.82 116.55 110.23 1uf2 n ASP 67 Ca 0.22 -1.06 -0.41 0.00 0.71 0.00 0.00 54.79 54.25 1uf2 n ASP 67 Cb 0.69 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.75 1uf2 n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1uf2 s VAL 68 N -2.00 3.60 -0.24 2.53 1.01 -0.09 -4.94 120.40 120.28 1uf2 s VAL 68 Ca 0.15 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 1uf2 s VAL 68 Cb 0.07 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1uf2 s VAL 68 CO 0.12 0.30 1.59 -0.54 0.00 0.00 0.00 175.10 176.57 1uf2 s LYS 69 N -0.91 3.77 0.22 2.72 1.02 -1.26 -4.97 119.74 120.34 1uf2 s LYS 69 Ca 0.47 1.59 -0.30 0.00 0.02 0.00 0.00 55.97 57.76 1uf2 s LYS 69 Cb -0.31 -4.03 -0.08 0.00 -0.52 0.00 0.00 37.83 32.88 1uf2 s LYS 69 CO 0.39 -1.32 1.02 0.15 -0.92 0.00 0.00 175.35 174.67 1uf2 s LYS 70 N 4.69 4.73 0.00 1.68 1.02 -1.26 -4.86 119.74 125.73 1uf2 s LYS 70 Ca 0.70 1.61 0.11 0.00 0.02 0.00 0.00 55.97 58.41 1uf2 s LYS 70 Cb -0.24 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1uf2 s LYS 70 CO 0.29 0.31 0.59 1.28 -0.92 0.00 0.00 175.35 176.91 1uf2 n LEU 71 N 1.74 1.03 -4.23 3.17 4.77 -1.26 -4.87 117.00 117.34 1uf2 n LEU 71 Ca -0.00 -0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 55.07 1uf2 n LEU 71 Cb 0.46 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1uf2 n LEU 71 CO 0.52 0.21 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.93 1uf2 s PHE 72 N -1.60 1.58 0.04 -1.77 0.40 -1.26 -1.28 117.98 114.10 1uf2 s PHE 72 Ca 0.07 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1uf2 s PHE 72 Cb 0.08 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 1uf2 s PHE 72 CO 0.32 0.13 -0.16 -0.51 0.70 0.00 0.00 175.22 175.70 1uf2 s ASP 73 N -1.63 3.94 -0.13 1.36 1.01 0.52 -4.80 116.67 116.95 1uf2 s ASP 73 Ca 0.04 -0.39 0.01 0.00 0.71 0.00 0.00 52.55 52.92 1uf2 s ASP 73 Cb -0.09 -0.68 0.02 0.00 1.01 0.00 0.00 42.92 43.17 1uf2 s ASP 73 CO 0.03 0.25 -0.14 -0.63 0.21 0.00 0.00 175.17 174.89 1uf2 s ILE 74 N -0.96 1.51 0.08 0.77 1.01 -1.26 -1.32 121.20 121.03 1uf2 s ILE 74 Ca 0.15 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.27 1uf2 s ILE 74 Cb -0.11 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1uf2 s ILE 74 CO 0.06 0.45 -0.23 0.20 0.00 0.00 0.00 174.94 175.42 1uf2 s ASN 75 N 1.26 3.50 -0.05 3.58 -0.87 -0.22 -4.97 114.94 117.16 1uf2 s ASN 75 Ca -0.01 -0.59 0.06 0.00 -1.57 0.00 0.00 52.86 50.76 1uf2 s ASN 75 Cb -0.14 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.25 40.69 1uf2 s ASN 75 CO -0.06 0.22 -0.25 -0.69 -2.57 0.00 0.00 177.10 173.75 1uf2 s VAL 76 N -0.97 2.04 0.02 1.60 1.01 -1.26 -0.56 120.40 122.28 1uf2 s VAL 76 Ca 0.14 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1uf2 s VAL 76 Cb -0.10 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1uf2 s VAL 76 CO 0.05 0.57 0.02 0.27 0.00 0.00 0.00 175.10 176.01 1uf2 s ILE 77 N -0.25 0.11 -0.42 2.22 -4.36 -0.69 -5.00 121.20 112.80 1uf2 s ILE 77 Ca -0.01 -0.87 -0.05 0.00 -0.26 0.00 0.00 60.65 59.45 1uf2 s ILE 77 Cb -0.13 -0.35 0.10 0.00 1.25 0.00 0.00 42.46 43.33 1uf2 s ILE 77 CO 0.03 -0.48 0.24 -0.54 0.24 0.00 0.00 174.94 174.43 1uf2 s LYS 78 N -1.53 2.25 -0.25 0.37 1.02 -1.26 -0.06 119.74 120.27 1uf2 s LYS 78 Ca -0.15 -1.72 -0.29 0.00 0.02 0.00 0.00 55.97 53.83 1uf2 s LYS 78 Cb -0.09 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1uf2 s LYS 78 CO -0.01 -1.06 1.16 0.00 -0.92 0.00 0.00 175.35 174.52 1uf2 n GLY 80 N 3.75 4.82 3.53 0.00 0.00 -1.11 -1.65 105.19 114.54 1uf2 n GLY 80 Ca 0.13 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 1uf2 n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uf2 s SER 81 N 0.81 -0.64 -0.55 1.61 0.15 -1.26 -4.41 113.70 109.40 1uf2 s SER 81 Ca 0.00 1.03 0.01 0.00 0.70 0.00 0.00 55.95 57.70 1uf2 s SER 81 Cb 0.00 1.00 0.48 0.00 -1.71 0.00 0.00 66.02 65.79 1uf2 s SER 81 CO 0.00 -0.37 1.82 -1.54 1.20 0.00 0.00 173.24 174.35 1uf2 n SER 82 N 2.01 6.40 0.00 5.45 3.41 -1.26 -4.56 113.62 125.07 1uf2 n SER 82 Ca -0.16 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.69 1uf2 n SER 82 Cb 0.56 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1uf2 n SER 82 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1uf2 n LEU 83 N -0.92 0.00 -4.97 1.04 -0.00 -1.26 -4.71 117.00 106.17 1uf2 n LEU 83 Ca 0.57 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 56.36 1uf2 n LEU 83 Cb 0.86 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.33 1uf2 n LEU 83 CO 0.66 -0.01 0.42 0.00 -0.00 0.00 0.00 177.39 178.46 1uf2 s ARG 84 N -0.03 2.35 -0.24 1.96 1.04 -1.26 -5.07 118.95 117.70 1uf2 s ARG 84 Ca 0.00 -0.79 -0.08 0.00 -1.04 0.00 0.00 55.73 53.82 1uf2 s ARG 84 Cb 0.00 -2.43 -0.04 0.00 -2.04 0.00 0.00 34.95 30.45 1uf2 s ARG 84 CO 0.00 -0.90 0.10 -1.50 -0.04 0.00 0.00 175.30 172.96 1uf2 s ILE 85 N -2.88 4.68 0.03 4.99 -1.16 -1.26 -4.65 121.20 120.95 1uf2 s ILE 85 Ca 0.59 -0.05 0.07 0.00 -0.51 0.00 0.00 60.65 60.75 1uf2 s ILE 85 Cb -0.09 -3.18 -0.02 0.00 0.61 0.00 0.00 42.46 39.77 1uf2 s ILE 85 CO 0.40 0.34 -0.21 0.54 -2.81 0.00 0.00 174.94 173.20 1uf2 s VAL 86 N 1.38 1.67 -0.84 4.00 0.11 -1.26 -5.03 120.40 120.44 1uf2 s VAL 86 Ca 0.06 -1.13 0.13 0.00 -2.93 0.00 0.00 61.98 58.10 1uf2 s VAL 86 Cb -0.15 -1.44 -0.08 0.00 -1.53 0.00 0.00 36.38 33.18 1uf2 s VAL 86 CO 0.05 0.27 0.62 -0.90 -3.33 0.00 0.00 175.10 171.80 1uf2 n ASP 87 N 2.01 0.93 -3.28 3.54 5.68 -1.26 -3.80 116.55 120.37 1uf2 n ASP 87 Ca -0.17 -0.96 -0.32 0.00 -0.50 0.00 0.00 54.79 52.83 1uf2 n ASP 87 Cb 0.53 0.78 -0.02 0.00 -1.14 0.00 0.00 41.12 41.27 1uf2 n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1uf2 n GLU 88 N -0.84 3.95 -1.69 0.11 -0.58 -1.26 -5.04 120.64 115.29 1uf2 n GLU 88 Ca 0.04 -4.77 -0.39 0.00 -0.42 0.00 0.00 57.16 51.62 1uf2 n GLU 88 Cb 0.23 -2.33 0.03 0.00 -0.57 0.00 0.00 31.44 28.80 1uf2 n GLU 88 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1uf2 n PRO 89 N 0.03 1.55 -2.63 3.49 -0.04 -1.26 -4.87 135.00 131.26 1uf2 n PRO 89 Ca 0.36 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.97 1uf2 n PRO 89 Cb 0.35 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1uf2 n PRO 89 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1uf2 s GLN 90 N -2.58 3.33 -0.13 0.54 -1.52 -0.66 -4.79 119.66 113.84 1uf2 s GLN 90 Ca 0.69 -0.72 -0.29 0.00 -1.95 0.00 0.00 55.36 53.09 1uf2 s GLN 90 Cb -0.46 -4.59 -0.06 0.00 -0.22 0.00 0.00 33.01 27.69 1uf2 s GLN 90 CO 0.52 -2.08 1.93 0.08 -0.25 0.00 0.00 175.29 175.49 1uf2 s VAL 91 N 5.00 3.24 0.10 1.09 1.01 -1.26 -2.19 120.40 127.40 1uf2 s VAL 91 Ca 0.36 0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.71 1uf2 s VAL 91 Cb -0.07 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1uf2 s VAL 91 CO 0.05 -0.10 -0.24 -0.89 0.00 0.00 0.00 175.10 173.92 1uf2 s THR 92 N 5.96 2.39 -0.22 3.92 2.01 0.91 -4.79 115.64 125.83 1uf2 s THR 92 Ca 0.87 -1.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 1uf2 s THR 92 Cb -0.34 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.15 1uf2 s THR 92 CO 0.35 0.18 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.00 1uf2 s PHE 93 N -1.00 2.94 -0.28 4.92 0.40 0.29 -1.71 117.98 123.54 1uf2 s PHE 93 Ca 0.14 -1.38 -0.09 0.00 -0.60 0.00 0.00 56.93 55.00 1uf2 s PHE 93 Cb -0.10 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1uf2 s PHE 93 CO 0.06 -0.69 0.14 0.42 0.70 0.00 0.00 175.22 175.84 1uf2 s ILE 94 N 1.36 4.75 -0.23 0.64 -1.09 0.28 -0.58 121.20 126.34 1uf2 s ILE 94 Ca 0.04 -0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.26 1uf2 s ILE 94 Cb -0.15 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1uf2 s ILE 94 CO -0.07 0.23 0.08 -0.69 -1.23 0.00 0.00 174.94 173.27 1uf2 s VAL 95 N 1.67 4.64 0.15 2.92 1.01 0.04 -1.06 120.40 129.77 1uf2 s VAL 95 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1uf2 s VAL 95 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1uf2 s VAL 95 CO 0.07 0.38 -0.10 -0.94 0.00 0.00 0.00 175.10 174.50 1uf2 s SER 96 N 1.12 1.80 0.83 3.32 1.04 -0.44 -1.30 113.70 120.08 1uf2 s SER 96 Ca 0.05 -1.01 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 1uf2 s SER 96 Cb -0.14 -0.01 0.09 0.00 0.10 0.00 0.00 66.02 66.06 1uf2 s SER 96 CO 0.04 -0.33 1.10 -0.31 0.98 0.00 0.00 173.24 174.71 1uf2 s TYR 97 N -3.32 2.36 0.59 5.02 4.12 -1.26 -0.35 117.35 124.50 1uf2 s TYR 97 Ca 0.17 1.52 -0.10 0.00 0.02 0.00 0.00 57.07 58.67 1uf2 s TYR 97 Cb 0.02 -3.12 0.14 0.00 -1.52 0.00 0.00 41.96 37.49 1uf2 s TYR 97 CO 0.01 -2.12 0.80 0.00 0.02 0.00 0.00 175.55 174.26 1uf2 n ALA 98 N -3.74 -0.92 -0.24 3.71 0.00 -0.41 -4.47 120.51 114.45 1uf2 n ALA 98 Ca 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1uf2 n ALA 98 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1uf2 n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uf2 n LYS 99 N -2.70 0.00 -2.30 0.00 4.76 -1.26 -4.74 118.16 111.92 1uf2 n LYS 99 Ca 0.10 0.21 -0.36 0.00 -2.87 0.00 0.00 58.31 55.38 1uf2 n LYS 99 Cb 0.35 -0.65 -0.04 0.00 -1.84 0.00 0.00 35.03 32.85 1uf2 n LYS 99 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1uf2 s ASP 100 N -2.87 5.77 -0.59 4.39 -1.08 -1.26 -4.92 116.67 116.12 1uf2 s ASP 100 Ca 0.00 -0.62 -0.01 0.00 -0.52 0.00 0.00 52.55 51.40 1uf2 s ASP 100 Cb 0.00 -2.56 0.15 0.00 -1.46 0.00 0.00 42.92 39.06 1uf2 s ASP 100 CO 0.00 -2.12 0.39 -0.63 0.52 0.00 0.00 175.17 173.33 1uf2 s ILE 101 N 7.49 3.45 -1.14 4.11 1.01 -1.26 -4.79 121.20 130.07 1uf2 s ILE 101 Ca 0.55 -3.01 -0.28 0.00 0.00 0.00 0.00 60.65 57.92 1uf2 s ILE 101 Cb -0.06 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1uf2 s ILE 101 CO 0.05 -0.85 0.68 -1.22 0.00 0.00 0.00 174.94 173.60 1uf2 n TYR 102 N 3.44 -1.57 -0.22 3.97 0.53 -1.26 -4.70 117.16 117.34 1uf2 n TYR 102 Ca 0.07 0.24 -0.05 0.00 -1.02 0.00 0.00 57.90 57.14 1uf2 n TYR 102 Cb 0.37 -2.87 0.11 0.00 -1.03 0.00 0.00 39.34 35.92 1uf2 n TYR 102 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1uf2 h ASP 103 N -2.16 0.97 -0.75 7.72 3.32 -1.94 -1.28 116.42 122.30 1uf2 h ASP 103 Ca -0.69 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.27 1uf2 h ASP 103 Cb 1.40 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 1uf2 h ASP 103 CO 0.49 0.90 0.49 0.11 -1.72 0.00 0.00 179.24 179.51 1uf2 h LYS 104 N 1.01 0.71 0.11 3.56 1.57 -1.89 -2.44 116.57 119.21 1uf2 h LYS 104 Ca 0.22 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.65 1uf2 h LYS 104 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1uf2 h LYS 104 CO -0.01 0.47 -1.55 0.35 -0.57 0.00 0.00 179.45 178.14 1uf2 h PHE 105 N 0.73 0.44 0.00 -1.35 3.57 -1.81 -3.42 116.94 115.09 1uf2 h PHE 105 Ca 0.34 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1uf2 h PHE 105 Cb 0.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1uf2 h PHE 105 CO -0.00 1.38 -0.13 0.52 -2.23 0.00 0.00 178.31 177.85 1uf2 h MET 106 N 0.07 0.00 -6.52 1.11 2.86 -1.10 -3.42 114.93 107.92 1uf2 h MET 106 Ca -0.25 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.87 1uf2 h MET 106 Cb 2.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.64 1uf2 h MET 106 CO 0.16 0.00 -0.03 0.00 1.06 0.00 0.00 176.91 178.10 1uf2 s ILE 108 N -1.79 2.05 -0.09 0.00 2.07 -1.26 -4.72 121.20 117.46 1uf2 s ILE 108 Ca 0.48 -2.17 -0.04 0.00 -1.41 0.00 0.00 60.65 57.51 1uf2 s ILE 108 Cb -0.12 -2.07 -0.02 0.00 0.13 0.00 0.00 42.46 40.38 1uf2 s ILE 108 CO 0.20 -0.41 0.16 -0.33 -1.91 0.00 0.00 174.94 172.65 1uf2 h GLU 109 N 2.74 -0.11 0.00 3.50 3.07 -1.99 -3.41 114.58 118.39 1uf2 h GLU 109 Ca -0.41 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1uf2 h GLU 109 Cb 1.23 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1uf2 h GLU 109 CO 0.57 -0.05 0.00 0.72 -1.40 0.00 0.00 179.01 178.85 1uf2 n HIS 110 N -4.85 0.00 -0.24 4.33 8.25 -1.26 -4.39 115.22 117.06 1uf2 n HIS 110 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1uf2 n HIS 110 Cb 0.06 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1uf2 n HIS 110 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1uf2 n ASP 111 N -0.58 3.29 0.00 0.41 8.00 -1.26 -4.78 116.55 121.63 1uf2 n ASP 111 Ca 0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1uf2 n ASP 111 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1uf2 n ASP 111 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1uf2 n SER 112 N 1.60 0.00 -0.46 -2.24 7.64 -1.26 -1.64 113.62 117.25 1uf2 n SER 112 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1uf2 n SER 112 Cb 0.32 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.69 1uf2 n SER 112 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uf2 n ALA 113 N -1.86 3.06 -2.90 -0.43 0.00 -0.91 -4.67 120.51 112.80 1uf2 n ALA 113 Ca 0.00 -2.96 -0.45 0.00 0.00 0.00 0.00 53.44 50.04 1uf2 n ALA 113 Cb 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1uf2 n ALA 113 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1uf2 s TYR 114 N -2.85 3.23 0.15 0.00 5.04 -0.65 -4.89 117.35 117.37 1uf2 s TYR 114 Ca 0.35 -0.93 -0.29 0.00 -2.44 0.00 0.00 57.07 53.76 1uf2 s TYR 114 Cb 0.33 -3.25 -0.07 0.00 0.35 0.00 0.00 41.96 39.32 1uf2 s TYR 114 CO -0.04 -0.83 1.50 1.49 -1.34 0.00 0.00 175.55 176.33 1uf2 h GLU 115 N 8.78 -0.02 -0.75 4.97 4.57 -1.93 -0.26 114.58 129.94 1uf2 h GLU 115 Ca -0.29 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1uf2 h GLU 115 Cb 1.11 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.57 1uf2 h GLU 115 CO 0.90 -0.01 -0.33 -1.35 -1.18 0.00 0.00 179.01 177.04 1uf2 h PRO 116 N -0.02 -0.08 -0.79 0.92 0.11 -1.95 0.43 132.00 130.61 1uf2 h PRO 116 Ca 0.14 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.35 1uf2 h PRO 116 Cb 0.39 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.46 1uf2 h PRO 116 CO -0.85 -0.06 0.52 0.77 -0.21 0.00 0.00 178.00 178.17 1uf2 h SER 117 N -0.09 0.66 0.15 -2.05 0.02 -1.42 -0.09 113.55 110.74 1uf2 h SER 117 Ca 0.29 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1uf2 h SER 117 Cb 0.57 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1uf2 h SER 117 CO -0.80 0.39 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.14 1uf2 h LEU 118 N 0.73 -0.17 -0.15 5.07 3.38 0.41 -0.80 115.31 123.78 1uf2 h LEU 118 Ca 0.37 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1uf2 h LEU 118 Cb 0.44 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1uf2 h LEU 118 CO -0.14 0.22 -0.48 0.74 0.09 0.00 0.00 178.44 178.87 1uf2 h THR 119 N -0.59 0.00 -0.67 0.22 2.02 -0.31 0.60 112.91 114.17 1uf2 h THR 119 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 1uf2 h THR 119 Cb 0.45 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.75 1uf2 h THR 119 CO 0.03 0.00 -0.45 0.24 0.37 0.00 0.00 175.52 175.71 1uf2 h MET 120 N -0.49 -0.18 -0.07 6.66 2.86 -1.03 -1.27 114.93 121.42 1uf2 h MET 120 Ca 0.03 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1uf2 h MET 120 Cb 0.59 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.23 1uf2 h MET 120 CO -0.40 -0.12 -0.33 1.25 1.06 0.00 0.00 176.91 178.37 1uf2 h HIS 121 N -0.18 -0.92 -0.65 -0.22 6.17 0.33 -2.30 115.15 117.38 1uf2 h HIS 121 Ca 0.19 0.03 0.11 0.00 0.71 0.00 0.00 60.37 61.42 1uf2 h HIS 121 Cb 0.55 0.41 -0.08 0.00 2.52 0.00 0.00 27.41 30.81 1uf2 h HIS 121 CO -0.77 -0.41 0.22 0.00 0.71 0.00 0.00 177.93 177.68 1uf2 h ARG 122 N -0.45 0.36 -0.10 5.26 3.08 0.11 0.76 114.38 123.40 1uf2 h ARG 122 Ca 0.08 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1uf2 h ARG 122 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1uf2 h ARG 122 CO -0.31 0.24 0.02 0.28 -1.07 0.00 0.00 179.97 179.12 1uf2 h VAL 123 N 0.37 0.95 0.08 2.04 2.07 -0.96 -1.68 116.25 119.12 1uf2 h VAL 123 Ca 0.34 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.87 1uf2 h VAL 123 Cb 0.48 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1uf2 h VAL 123 CO -0.37 0.01 -0.33 -0.09 0.02 0.00 0.00 177.57 176.81 1uf2 h ARG 124 N 0.06 -0.51 -0.61 1.57 2.43 -0.65 -2.43 114.38 114.24 1uf2 h ARG 124 Ca 0.05 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.38 1uf2 h ARG 124 Cb 0.04 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 29.60 1uf2 h ARG 124 CO -0.06 -0.34 -0.01 0.28 -1.51 0.00 0.00 179.97 178.32 1uf2 h VAL 125 N -0.53 0.48 -0.32 0.20 2.07 -0.69 0.21 116.25 117.68 1uf2 h VAL 125 Ca 0.04 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1uf2 h VAL 125 Cb 0.58 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1uf2 h VAL 125 CO -0.22 0.02 -0.03 0.40 0.02 0.00 0.00 177.57 177.76 1uf2 h ILE 126 N 0.10 0.74 -0.54 4.57 2.04 -0.84 0.13 117.51 123.71 1uf2 h ILE 126 Ca 0.32 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 66.08 1uf2 h ILE 126 Cb 0.52 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1uf2 h ILE 126 CO -0.54 0.01 0.02 1.88 0.00 0.00 0.00 178.15 179.52 1uf2 h TYR 127 N 0.06 0.96 -0.21 1.37 -1.99 -0.75 -0.37 116.97 116.04 1uf2 h TYR 127 Ca 0.15 -0.14 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1uf2 h TYR 127 Cb 0.22 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1uf2 h TYR 127 CO -0.25 0.86 0.00 0.66 -0.00 0.00 0.00 178.16 179.43 1uf2 h SER 128 N 0.84 0.37 -0.91 3.88 4.64 -0.44 -2.59 113.55 119.33 1uf2 h SER 128 Ca 0.16 -0.31 -0.55 0.00 -0.47 0.00 0.00 61.79 60.62 1uf2 h SER 128 Cb 0.47 -0.10 -0.27 0.00 -0.31 0.00 0.00 62.40 62.19 1uf2 h SER 128 CO 0.02 0.59 0.71 0.23 -0.87 0.00 0.00 176.83 177.51 1uf2 n MET 129 N -4.68 2.36 -0.32 4.77 2.81 -0.02 -4.70 117.12 117.35 1uf2 n MET 129 Ca -0.04 -2.88 0.04 0.00 -1.81 0.00 0.00 57.70 53.01 1uf2 n MET 129 Cb 0.23 -2.13 0.11 0.00 -0.71 0.00 0.00 33.22 30.72 1uf2 n MET 129 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1uf2 n LEU 130 N -0.84 -0.36 0.00 4.03 -0.00 -0.15 -2.14 117.00 117.54 1uf2 n LEU 130 Ca 0.56 1.51 0.00 0.00 -0.00 0.00 0.00 56.01 58.08 1uf2 n LEU 130 Cb 1.07 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1uf2 n LEU 130 CO 0.65 -1.43 0.42 -3.20 -0.00 0.00 0.00 177.39 173.83 1uf2 n ASN 131 N -5.40 0.00 -0.46 1.96 2.85 -1.26 -2.76 115.26 110.19 1uf2 n ASN 131 Ca 0.13 0.84 0.39 0.00 -0.11 0.00 0.00 54.58 55.84 1uf2 n ASN 131 Cb 0.42 -0.34 0.72 0.00 1.24 0.00 0.00 39.78 41.82 1uf2 n ASN 131 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1uf2 h ASP 132 N 0.00 0.10 0.40 1.20 3.32 -1.82 -2.02 116.42 117.60 1uf2 h ASP 132 Ca 0.00 0.04 -0.31 0.00 0.02 0.00 0.00 57.03 56.77 1uf2 h ASP 132 Cb 0.00 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1uf2 h ASP 132 CO 0.00 -0.03 -1.70 1.88 -1.72 0.00 0.00 179.24 177.67 1uf2 h TYR 133 N 0.06 0.28 -0.07 4.55 -1.99 -1.53 -3.41 116.97 114.87 1uf2 h TYR 133 Ca 0.73 -0.20 -0.10 0.00 2.00 0.00 0.00 58.73 61.15 1uf2 h TYR 133 Cb 2.67 -0.01 -0.17 0.00 2.00 0.00 0.00 36.73 41.22 1uf2 h TYR 133 CO -0.00 1.34 -0.72 0.00 -0.00 0.00 0.00 178.16 178.78 1uf2 n ALA 135 N -0.56 0.19 -2.56 0.00 0.00 -0.79 -4.48 120.51 112.31 1uf2 n ALA 135 Ca 0.16 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1uf2 n ALA 135 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.26 1uf2 n ALA 135 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uf2 s LYS 136 N 0.00 3.48 -0.19 0.00 1.02 -1.26 -1.74 119.74 121.05 1uf2 s LYS 136 Ca 0.00 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.99 1uf2 s LYS 136 Cb 0.00 -3.93 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 1uf2 s LYS 136 CO 0.00 -1.19 0.02 1.41 -0.92 0.00 0.00 175.35 174.67 1uf2 s MET 137 N 3.58 3.75 0.21 1.68 1.75 -0.74 -4.61 119.30 124.92 1uf2 s MET 137 Ca 0.34 -0.46 -0.30 0.00 -1.25 0.00 0.00 55.69 54.02 1uf2 s MET 137 Cb -0.11 -3.11 -0.09 0.00 2.84 0.00 0.00 34.83 34.35 1uf2 s MET 137 CO 0.25 0.13 1.42 0.42 -0.65 0.00 0.00 175.02 176.59 1uf2 s ILE 138 N 0.72 2.86 0.00 10.11 1.01 -1.26 -2.33 121.20 132.31 1uf2 s ILE 138 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1uf2 s ILE 138 Cb -0.14 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1uf2 s ILE 138 CO 0.02 0.09 0.42 -1.54 0.00 0.00 0.00 174.94 173.94 1uf2 n SER 139 N 2.81 0.18 -3.34 3.58 3.41 0.01 -4.88 113.62 115.39 1uf2 n SER 139 Ca 0.08 -1.08 0.01 0.00 -0.26 0.00 0.00 58.87 57.62 1uf2 n SER 139 Cb 0.41 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1uf2 n SER 139 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1uf2 s GLU 140 N -0.08 0.54 -0.13 4.33 2.12 -1.25 -4.98 118.70 119.26 1uf2 s GLU 140 Ca 0.00 1.10 -0.03 0.00 0.36 0.00 0.00 54.97 56.40 1uf2 s GLU 140 Cb 0.00 0.55 -0.03 0.00 0.26 0.00 0.00 34.13 34.91 1uf2 s GLU 140 CO 0.00 -0.48 -0.03 0.08 -0.54 0.00 0.00 175.26 174.29 1uf2 s VAL 141 N 2.83 3.94 -0.03 3.70 1.01 -1.26 -1.61 120.40 128.98 1uf2 s VAL 141 Ca 0.11 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1uf2 s VAL 141 Cb -0.14 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1uf2 s VAL 141 CO -0.19 0.52 1.15 -2.84 0.00 0.00 0.00 175.10 173.74 1uf2 s PRO 142 N 0.02 4.40 0.07 2.72 0.02 -1.26 -5.02 135.00 135.95 1uf2 s PRO 142 Ca 0.01 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.62 1uf2 s PRO 142 Cb -0.13 -3.50 -0.03 0.00 0.02 0.00 0.00 34.50 30.86 1uf2 s PRO 142 CO 0.03 -0.35 0.05 1.52 -0.33 0.00 0.00 177.00 177.92 1uf2 s TYR 143 N 1.81 0.42 0.15 6.54 -0.85 -1.26 -0.90 117.35 123.26 1uf2 s TYR 143 Ca 0.55 -0.92 -0.09 0.00 -0.52 0.00 0.00 57.07 56.09 1uf2 s TYR 143 Cb -0.24 -0.29 -0.01 0.00 0.38 0.00 0.00 41.96 41.80 1uf2 s TYR 143 CO 0.24 -0.45 0.27 -1.83 -1.52 0.00 0.00 175.55 172.26 1uf2 s GLU 144 N -3.91 1.09 0.10 -3.49 -1.05 -0.65 -4.79 118.70 105.99 1uf2 s GLU 144 Ca 0.08 -1.12 -0.24 0.00 -0.15 0.00 0.00 54.97 53.54 1uf2 s GLU 144 Cb 0.07 0.37 -0.07 0.00 -0.44 0.00 0.00 34.13 34.07 1uf2 s GLU 144 CO -0.09 -0.39 0.75 -1.12 0.95 0.00 0.00 175.26 175.35 1uf2 s SER 145 N -2.94 7.26 0.25 0.83 0.01 -1.26 -2.09 113.70 115.76 1uf2 s SER 145 Ca 0.14 1.50 -0.04 0.00 1.31 0.00 0.00 55.95 58.87 1uf2 s SER 145 Cb 0.04 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.81 1uf2 s SER 145 CO -0.03 0.12 0.39 -1.54 0.41 0.00 0.00 173.24 172.60 1uf2 n SER 146 N 2.21 -1.11 -4.48 2.44 3.41 -0.29 -4.95 113.62 110.85 1uf2 n SER 146 Ca -0.05 -2.21 -0.23 0.00 -0.26 0.00 0.00 58.87 56.12 1uf2 n SER 146 Cb 0.50 1.98 -0.11 0.00 -0.26 0.00 0.00 64.21 66.32 1uf2 n SER 146 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1uf2 s PHE 147 N -3.88 2.09 -0.46 7.33 0.40 -1.26 -1.39 117.98 120.81 1uf2 s PHE 147 Ca 0.17 -0.74 0.06 0.00 -0.60 0.00 0.00 56.93 55.81 1uf2 s PHE 147 Cb -0.01 -1.29 0.18 0.00 0.51 0.00 0.00 43.02 42.41 1uf2 s PHE 147 CO 0.12 0.27 0.55 0.08 0.70 0.00 0.00 175.22 176.94 1uf2 s VAL 148 N -3.00 -0.46 0.00 -0.44 1.01 -0.78 -4.95 120.40 111.79 1uf2 s VAL 148 Ca 0.32 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1uf2 s VAL 148 Cb 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1uf2 s VAL 148 CO 0.14 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1uf2 n GLY 149 N 3.07 0.62 1.78 4.51 0.00 -1.26 -3.15 105.19 110.76 1uf2 n GLY 149 Ca 0.22 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.92 1uf2 n GLY 149 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uf2 n GLU 150 N 4.94 4.04 -3.57 1.61 4.71 -1.26 -4.86 120.64 126.25 1uf2 n GLU 150 Ca 0.00 -2.74 -0.40 0.00 -0.01 0.00 0.00 57.16 54.01 1uf2 n GLU 150 Cb 0.00 -2.15 -0.11 0.00 -1.01 0.00 0.00 31.44 28.17 1uf2 n GLU 150 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1uf2 s LEU 151 N -2.49 4.37 0.50 -4.62 2.96 -1.19 -5.07 118.68 113.14 1uf2 s LEU 151 Ca 0.48 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.74 1uf2 s LEU 151 Cb 0.37 -2.09 -0.08 0.00 0.50 0.00 0.00 46.19 44.90 1uf2 s LEU 151 CO 0.13 -0.22 1.07 -2.16 -1.32 0.00 0.00 176.35 173.85 1uf2 s PRO 152 N 1.69 3.68 0.14 0.98 0.04 -1.26 -1.87 135.00 138.39 1uf2 s PRO 152 Ca 0.06 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 1uf2 s PRO 152 Cb -0.17 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.35 1uf2 s PRO 152 CO 0.09 -0.55 0.77 0.54 0.04 0.00 0.00 177.00 177.90 1uf2 s VAL 153 N -1.90 0.00 -0.34 -0.36 0.11 -0.49 -4.94 120.40 112.49 1uf2 s VAL 153 Ca 0.69 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1uf2 s VAL 153 Cb -0.19 -1.40 0.07 0.00 -1.53 0.00 0.00 36.38 33.33 1uf2 s VAL 153 CO 0.22 0.00 0.07 -0.54 -3.33 0.00 0.00 175.10 171.53 1uf2 s LYS 154 N -3.52 2.25 0.25 1.54 1.02 -1.26 -1.14 119.74 118.87 1uf2 s LYS 154 Ca 0.06 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.58 1uf2 s LYS 154 Cb -0.02 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1uf2 s LYS 154 CO -0.05 -0.79 0.43 -1.54 -0.92 0.00 0.00 175.35 172.49 1uf2 s SER 155 N 1.42 6.35 -0.09 2.83 1.04 -0.89 -0.62 113.70 123.75 1uf2 s SER 155 Ca 0.00 0.37 -0.30 0.00 0.48 0.00 0.00 55.95 56.51 1uf2 s SER 155 Cb -0.21 -2.00 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1uf2 s SER 155 CO -0.02 -0.12 1.05 -0.69 0.98 0.00 0.00 173.24 174.44 1uf2 s VAL 156 N -2.01 4.66 -0.93 5.02 1.01 -0.37 -1.64 120.40 126.14 1uf2 s VAL 156 Ca 0.38 1.94 -0.25 0.00 0.00 0.00 0.00 61.98 64.05 1uf2 s VAL 156 Cb -0.10 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 1uf2 s VAL 156 CO 0.31 0.01 2.06 -0.89 0.00 0.00 0.00 175.10 176.58 1uf2 s THR 157 N 2.02 3.34 0.35 3.92 2.01 -0.08 -4.82 115.64 122.38 1uf2 s THR 157 Ca 0.50 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1uf2 s THR 157 Cb -0.20 -3.87 0.23 0.00 0.01 0.00 0.00 72.50 68.67 1uf2 s THR 157 CO 0.19 -0.70 1.97 -0.07 -0.69 0.00 0.00 174.62 175.32 1uf2 h LEU 158 N 19.16 0.66 0.00 4.42 3.38 -1.91 -2.81 115.31 138.22 1uf2 h LEU 158 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1uf2 h LEU 158 Cb 0.99 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1uf2 h LEU 158 CO 1.16 0.54 0.00 -0.46 0.09 0.00 0.00 178.44 179.77 1uf2 n ASN 159 N -4.39 0.00 -0.79 -0.43 6.94 -1.26 -1.38 115.26 113.94 1uf2 n ASN 159 Ca 0.05 -0.32 0.11 0.00 -0.02 0.00 0.00 54.58 54.40 1uf2 n ASN 159 Cb 0.10 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.59 1uf2 n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uf2 n LYS 160 N -0.95 1.91 -0.69 -3.83 5.02 -1.06 -4.22 118.16 114.35 1uf2 n LYS 160 Ca 0.06 -1.62 0.08 0.00 -2.02 0.00 0.00 58.31 54.81 1uf2 n LYS 160 Cb 0.03 -1.43 0.35 0.00 -0.02 0.00 0.00 35.03 33.95 1uf2 n LYS 160 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uf2 n LEU 161 N 0.93 4.93 0.00 -0.35 4.77 -0.48 -4.95 117.00 121.86 1uf2 n LEU 161 Ca 0.12 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 1uf2 n LEU 161 Cb 0.53 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1uf2 n LEU 161 CO 0.17 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1uf2 n GLY 162 N 0.37 0.34 0.37 -0.72 0.00 -1.26 -0.46 105.19 103.83 1uf2 n GLY 162 Ca 0.25 0.31 0.16 0.00 0.00 0.00 0.00 46.02 46.74 1uf2 n GLY 162 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1uf2 h ASP 163 N 0.00 0.66 -0.82 1.61 3.58 -1.95 -1.48 116.42 118.02 1uf2 h ASP 163 Ca 0.00 0.09 -0.31 0.00 0.42 0.00 0.00 57.03 57.24 1uf2 h ASP 163 Cb 0.00 -0.02 -0.18 0.00 1.72 0.00 0.00 39.33 40.85 1uf2 h ASP 163 CO 0.00 0.20 0.39 0.54 -2.88 0.00 0.00 179.24 177.48 1uf2 n ARG 164 N -4.73 3.34 -2.51 0.28 5.12 0.39 -4.84 116.66 113.71 1uf2 n ARG 164 Ca 0.24 -3.08 -0.40 0.00 -1.93 0.00 0.00 57.85 52.68 1uf2 n ARG 164 Cb 0.68 -2.22 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 1uf2 n ARG 164 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1uf2 s ASN 165 N -1.10 6.46 0.52 0.55 3.04 -0.56 -4.81 114.94 119.03 1uf2 s ASN 165 Ca 0.56 -1.80 0.28 0.00 0.04 0.00 0.00 52.86 51.94 1uf2 s ASN 165 Cb 0.45 -2.57 1.41 0.00 -1.54 0.00 0.00 41.25 39.00 1uf2 s ASN 165 CO 0.13 -1.55 1.91 0.24 -3.04 0.00 0.00 177.10 174.78 1uf2 h MET 166 N 9.03 0.06 -0.03 0.43 2.86 -1.88 -1.49 114.93 123.91 1uf2 h MET 166 Ca 0.29 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1uf2 h MET 166 Cb 0.95 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1uf2 h MET 166 CO 1.42 0.04 0.01 -0.44 1.06 0.00 0.00 176.91 179.00 1uf2 h ASP 167 N 0.06 0.04 -0.65 1.22 3.32 -1.92 -1.82 116.42 116.67 1uf2 h ASP 167 Ca 0.40 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1uf2 h ASP 167 Cb 1.49 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 41.01 1uf2 h ASP 167 CO -0.03 0.18 0.09 0.00 -1.72 0.00 0.00 179.24 177.76 1uf2 h ALA 168 N 0.86 0.87 -0.39 3.45 0.00 -1.73 -2.23 119.26 120.09 1uf2 h ALA 168 Ca 0.01 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1uf2 h ALA 168 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1uf2 h ALA 168 CO -0.00 0.65 0.32 1.25 0.00 0.00 0.00 179.25 181.46 1uf2 h LEU 169 N 1.01 0.00 0.00 0.00 7.12 -1.07 -1.50 115.31 120.87 1uf2 h LEU 169 Ca 0.20 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.19 1uf2 h LEU 169 Cb 0.46 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1uf2 h LEU 169 CO 0.02 0.00 -0.25 0.00 -0.13 0.00 0.00 178.44 178.08 1uf2 h ALA 170 N 1.74 0.87 0.00 1.25 0.00 -0.69 -3.25 119.26 119.18 1uf2 h ALA 170 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uf2 h ALA 170 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1uf2 h ALA 170 CO -0.00 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.75 1uf2 n GLU 171 N -3.05 0.17 0.19 0.00 1.02 -0.56 -1.12 120.64 117.29 1uf2 n GLU 171 Ca 0.03 0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1uf2 n GLU 171 Cb 0.57 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.80 1uf2 n GLU 171 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1uf2 h HIS 172 N 0.00 0.00 -3.85 -0.32 3.86 -1.71 -3.46 115.15 109.67 1uf2 h HIS 172 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1uf2 h HIS 172 Cb 0.08 0.00 0.19 0.00 1.06 0.00 0.00 27.41 28.74 1uf2 h HIS 172 CO 0.00 0.00 -0.02 1.28 0.86 0.00 0.00 177.93 180.05 1uf2 n LEU 173 N -2.84 2.60 0.14 2.43 4.77 -0.28 -4.97 117.00 118.85 1uf2 n LEU 173 Ca 0.04 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1uf2 n LEU 173 Cb 0.46 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.09 1uf2 n LEU 173 CO 0.31 -2.44 0.47 -0.07 -1.33 0.00 0.00 177.39 174.33 1uf2 h LEU 174 N -1.07 -0.34 -9.59 2.23 3.38 -1.89 -3.46 115.31 104.56 1uf2 h LEU 174 Ca -0.45 -0.20 -0.67 0.00 0.09 0.00 0.00 57.88 56.65 1uf2 h LEU 174 Cb 1.30 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.06 1uf2 h LEU 174 CO 0.42 0.08 -0.51 -0.36 0.09 0.00 0.00 178.44 178.16 1uf2 s PHE 175 N -4.25 3.52 0.03 1.13 0.40 -1.26 -5.00 117.98 112.55 1uf2 s PHE 175 Ca -0.13 0.45 -0.06 0.00 -0.60 0.00 0.00 56.93 56.59 1uf2 s PHE 175 Cb 0.02 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1uf2 s PHE 175 CO 0.50 0.68 0.40 0.39 0.70 0.00 0.00 175.22 177.89 1uf2 n GLU 176 N 1.92 -0.09 0.05 0.44 -0.58 -1.26 -0.62 120.64 120.49 1uf2 n GLU 176 Ca -0.19 0.39 -0.11 0.00 -0.42 0.00 0.00 57.16 56.83 1uf2 n GLU 176 Cb 0.55 -0.58 -0.00 0.00 -0.57 0.00 0.00 31.44 30.84 1uf2 n GLU 176 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 1uf2 h HIS 177 N 0.00 0.62 -0.68 -0.32 2.07 -1.99 -2.84 115.15 112.00 1uf2 h HIS 177 Ca 0.03 -0.29 0.20 0.00 -2.85 0.00 0.00 60.37 57.46 1uf2 h HIS 177 Cb 0.09 -0.09 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 1uf2 h HIS 177 CO -0.29 1.07 0.69 -0.44 -3.07 0.00 0.00 177.93 175.89 1uf2 h ASP 178 N 0.29 0.00 0.00 3.10 3.32 -1.27 0.34 116.42 122.20 1uf2 h ASP 178 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1uf2 h ASP 178 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1uf2 h ASP 178 CO 0.14 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.18 1uf2 n VAL 179 N -3.68 0.00 -0.33 -1.35 0.31 -1.08 -1.72 118.33 110.48 1uf2 n VAL 179 Ca 0.14 0.74 0.19 0.00 -0.01 0.00 0.00 64.34 65.39 1uf2 n VAL 179 Cb 0.93 -1.57 0.36 0.00 -0.91 0.00 0.00 33.84 32.65 1uf2 n VAL 179 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1uf2 h VAL 180 N 0.00 0.05 0.05 2.52 3.04 -1.30 0.98 116.25 121.59 1uf2 h VAL 180 Ca 0.00 -0.01 0.02 0.00 -1.01 0.00 0.00 66.70 65.70 1uf2 h VAL 180 Cb 0.00 0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 29.26 1uf2 h VAL 180 CO 0.00 0.01 -0.23 0.78 -1.01 0.00 0.00 177.57 177.12 1uf2 h ASN 181 N 0.03 -0.65 -0.59 3.17 4.21 -0.45 0.12 115.58 121.43 1uf2 h ASN 181 Ca 0.66 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 58.24 1uf2 h ASN 181 Cb 1.47 0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 38.90 1uf2 h ASN 181 CO -0.86 -0.30 0.34 0.00 -1.29 0.00 0.00 177.43 175.32 1uf2 h ALA 182 N 0.44 0.75 -0.47 -0.83 0.00 0.16 -0.98 119.26 118.34 1uf2 h ALA 182 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uf2 h ALA 182 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1uf2 h ALA 182 CO -0.17 0.24 0.24 1.96 0.00 0.00 0.00 179.25 181.53 1uf2 h GLN 183 N 0.79 0.64 -0.18 0.00 4.20 0.09 -1.12 115.11 119.53 1uf2 h GLN 183 Ca 0.21 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1uf2 h GLN 183 Cb 0.00 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1uf2 h GLN 183 CO -0.04 0.48 -0.33 -0.09 -0.67 0.00 0.00 178.83 178.18 1uf2 h ARG 184 N 0.65 0.54 -0.89 1.46 2.43 -0.14 -2.61 114.38 115.83 1uf2 h ARG 184 Ca 0.17 -0.34 0.12 0.00 -0.81 0.00 0.00 59.98 59.12 1uf2 h ARG 184 Cb 0.04 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 1uf2 h ARG 184 CO -0.03 0.95 0.57 0.93 -1.51 0.00 0.00 179.97 180.89 1uf2 h GLU 185 N 0.20 0.75 0.02 0.20 5.08 -0.56 -1.79 114.58 118.49 1uf2 h GLU 185 Ca 0.01 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1uf2 h GLU 185 Cb 0.92 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1uf2 h GLU 185 CO 0.07 0.50 -0.18 -0.91 -1.00 0.00 0.00 179.01 177.50 1uf2 h ASN 186 N 0.78 -0.51 -0.74 1.42 4.21 -0.85 -1.18 115.58 118.69 1uf2 h ASN 186 Ca 0.43 0.07 0.04 0.00 1.21 0.00 0.00 56.30 58.06 1uf2 h ASN 186 Cb 0.58 0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.95 1uf2 h ASN 186 CO -0.20 -0.24 0.49 0.03 -1.29 0.00 0.00 177.43 176.22 1uf2 h ARG 187 N -0.30 0.84 -0.28 0.81 3.08 -1.12 -0.23 114.38 117.18 1uf2 h ARG 187 Ca 0.05 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1uf2 h ARG 187 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1uf2 h ARG 187 CO -0.15 0.55 -0.18 0.82 -1.07 0.00 0.00 179.97 179.94 1uf2 h ILE 188 N 0.86 1.25 0.07 2.04 2.04 -0.73 -3.36 117.51 119.68 1uf2 h ILE 188 Ca 0.31 -1.13 -0.38 0.00 1.00 0.00 0.00 64.86 64.66 1uf2 h ILE 188 Cb 0.12 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1uf2 h ILE 188 CO -0.09 0.36 -2.21 0.49 0.00 0.00 0.00 178.15 176.70 1uf2 n PHE 189 N -4.17 0.70 -2.96 1.37 3.01 -0.53 -4.69 117.46 110.19 1uf2 n PHE 189 Ca 0.00 0.15 -0.44 0.00 1.01 0.00 0.00 57.45 58.17 1uf2 n PHE 189 Cb 0.36 -1.09 -0.02 0.00 -0.01 0.00 0.00 39.48 38.72 1uf2 n PHE 189 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uf2 s TYR 190 N -2.54 3.27 0.22 1.38 1.51 -0.19 -4.65 117.35 116.35 1uf2 s TYR 190 Ca -0.28 -1.64 0.02 0.00 -1.01 0.00 0.00 57.07 54.15 1uf2 s TYR 190 Cb 0.08 -4.26 -0.05 0.00 -0.11 0.00 0.00 41.96 37.61 1uf2 s TYR 190 CO 0.69 -1.43 0.05 -0.65 -1.11 0.00 0.00 175.55 173.10 1uf2 s GLN 191 N 2.21 1.28 -0.36 -0.62 -0.21 -1.23 -1.23 119.66 119.49 1uf2 s GLN 191 Ca 0.35 -1.66 -0.17 0.00 0.02 0.00 0.00 55.36 53.90 1uf2 s GLN 191 Cb -0.05 -0.28 -0.00 0.00 1.00 0.00 0.00 33.01 33.68 1uf2 s GLN 191 CO -0.07 -0.21 0.47 0.50 -2.12 0.00 0.00 175.29 173.86 1uf2 s ARG 192 N -3.97 3.54 0.25 2.91 3.52 0.21 -1.59 118.95 123.81 1uf2 s ARG 192 Ca 0.31 -0.30 0.08 0.00 -0.13 0.00 0.00 55.73 55.69 1uf2 s ARG 192 Cb 0.07 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1uf2 s ARG 192 CO 0.09 -0.65 0.14 0.15 -0.81 0.00 0.00 175.30 174.23 1uf2 s LYS 193 N 2.28 2.76 0.37 5.12 1.02 0.13 -4.68 119.74 126.74 1uf2 s LYS 193 Ca 0.16 -1.14 -0.26 0.00 0.02 0.00 0.00 55.97 54.75 1uf2 s LYS 193 Cb -0.16 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1uf2 s LYS 193 CO 0.13 0.40 1.18 0.45 -0.92 0.00 0.00 175.35 176.59 1uf2 s SER 194 N -3.76 6.69 0.32 2.83 0.15 -1.26 -0.88 113.70 117.78 1uf2 s SER 194 Ca 0.32 2.39 -0.28 0.00 0.70 0.00 0.00 55.95 59.08 1uf2 s SER 194 Cb -0.08 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.52 1uf2 s SER 194 CO 0.24 -0.56 1.10 0.00 1.20 0.00 0.00 173.24 175.22 1uf2 s ALA 195 N -1.33 3.31 0.01 5.45 0.00 -1.23 -4.44 121.76 123.53 1uf2 s ALA 195 Ca 0.54 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1uf2 s ALA 195 Cb -0.32 -3.33 -0.35 0.00 0.00 0.00 0.00 23.12 19.12 1uf2 s ALA 195 CO 0.41 -0.23 0.93 -1.00 0.00 0.00 0.00 175.76 175.87 1uf2 h PRO 196 N 3.38 0.49 -2.38 0.00 0.13 -1.92 -3.46 132.00 128.23 1uf2 h PRO 196 Ca -0.47 -0.83 0.03 0.00 -0.87 0.00 0.00 66.00 63.85 1uf2 h PRO 196 Cb 1.22 0.31 -0.16 0.00 0.13 0.00 0.00 31.00 32.50 1uf2 h PRO 196 CO 0.65 1.40 0.35 0.00 -0.23 0.00 0.00 178.00 180.17 1uf2 s ALA 197 N -2.57 -1.75 -0.09 -0.56 0.00 -1.26 -4.96 121.76 110.57 1uf2 s ALA 197 Ca -0.11 0.97 -0.36 0.00 0.00 0.00 0.00 51.96 52.46 1uf2 s ALA 197 Cb 0.04 0.36 -0.14 0.00 0.00 0.00 0.00 23.12 23.37 1uf2 s ALA 197 CO 0.92 -0.61 1.73 0.28 0.00 0.00 0.00 175.76 178.08 1uf2 n VAL 198 N 0.05 0.35 -0.12 0.00 0.31 -1.26 -4.90 118.33 112.75 1uf2 n VAL 198 Ca -0.14 -0.06 -0.05 0.00 -0.01 0.00 0.00 64.34 64.08 1uf2 n VAL 198 Cb 0.61 -1.51 0.14 0.00 -0.91 0.00 0.00 33.84 32.17 1uf2 n VAL 198 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1uf2 h PRO 199 N 7.60 0.84 -5.10 5.55 0.13 -1.96 -3.41 132.00 135.65 1uf2 h PRO 199 Ca -0.47 -0.24 -0.66 0.00 -0.87 0.00 0.00 66.00 63.77 1uf2 h PRO 199 Cb 1.29 -0.09 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 1uf2 h PRO 199 CO 0.92 0.84 -0.73 0.14 -0.23 0.00 0.00 178.00 178.95 1uf2 s VAL 200 N -4.98 3.36 -0.25 1.56 -7.23 -1.26 -5.05 120.40 106.55 1uf2 s VAL 200 Ca -0.10 -0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 1uf2 s VAL 200 Cb 0.14 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 1uf2 s VAL 200 CO 0.82 0.45 0.17 -0.63 -0.31 0.00 0.00 175.10 175.60 1uf2 s ILE 201 N 1.12 5.35 -0.12 -0.62 1.01 -1.26 -5.06 121.20 121.62 1uf2 s ILE 201 Ca 0.01 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.70 1uf2 s ILE 201 Cb -0.15 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1uf2 s ILE 201 CO -0.01 0.32 0.38 -0.36 0.00 0.00 0.00 174.94 175.28 1uf2 s PHE 202 N 1.20 3.52 0.01 3.97 0.40 -1.26 -4.88 117.98 120.94 1uf2 s PHE 202 Ca 0.08 0.77 -0.13 0.00 -0.60 0.00 0.00 56.93 57.05 1uf2 s PHE 202 Cb -0.14 -2.41 -0.07 0.00 0.51 0.00 0.00 43.02 40.90 1uf2 s PHE 202 CO 0.06 0.27 0.89 0.78 0.70 0.00 0.00 175.22 177.92 1uf2 h GLY 203 N 6.39 -0.49 -4.76 4.36 0.00 -1.97 -3.45 103.07 103.15 1uf2 h GLY 203 Ca -0.43 0.18 -0.64 0.00 0.00 0.00 0.00 47.33 46.44 1uf2 h GLY 203 CO 0.73 -0.18 -0.52 1.22 0.00 0.00 0.00 176.54 177.79 1uf2 n ASP 204 N -3.68 -1.26 -4.84 0.19 8.00 -1.26 -4.93 116.55 108.77 1uf2 n ASP 204 Ca -0.06 1.07 -0.37 0.00 0.71 0.00 0.00 54.79 56.14 1uf2 n ASP 204 Cb 0.18 -0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 40.32 1uf2 n ASP 204 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1uf2 s ASP 205 N -0.96 6.55 0.18 -2.24 -4.77 -1.26 -5.08 116.67 109.09 1uf2 s ASP 205 Ca 0.61 0.65 -0.06 0.00 -3.30 0.00 0.00 52.55 50.45 1uf2 s ASP 205 Cb -0.88 -2.15 -0.02 0.00 -1.09 0.00 0.00 42.92 38.78 1uf2 s ASP 205 CO 0.54 0.33 0.24 -1.48 0.70 0.00 0.00 175.17 175.50 1uf2 s LEU 206 N -0.82 1.05 0.52 2.11 0.05 -1.26 -4.99 118.68 115.34 1uf2 s LEU 206 Ca 0.18 -1.06 -0.19 0.00 0.05 0.00 0.00 54.13 53.11 1uf2 s LEU 206 Cb -0.14 0.93 -0.11 0.00 -2.05 0.00 0.00 46.19 44.83 1uf2 s LEU 206 CO 0.07 -0.89 0.45 -0.62 -0.55 0.00 0.00 176.35 174.81 1uf2 n GLU 207 N -0.23 0.47 0.14 1.48 1.02 -1.26 -4.79 120.64 117.46 1uf2 n GLU 207 Ca -0.04 0.18 0.03 0.00 -0.02 0.00 0.00 57.16 57.31 1uf2 n GLU 207 Cb 0.64 -1.56 0.41 0.00 -0.02 0.00 0.00 31.44 30.91 1uf2 n GLU 207 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1uf2 h PRO 208 N 0.38 0.19 -0.82 3.49 0.11 -2.00 -3.00 132.00 130.36 1uf2 h PRO 208 Ca -0.44 -0.04 0.19 0.00 0.11 0.00 0.00 66.00 65.82 1uf2 h PRO 208 Cb 1.41 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.44 1uf2 h PRO 208 CO 0.48 0.34 0.56 0.00 -0.21 0.00 0.00 178.00 179.16 1uf2 h ALA 209 N 1.68 2.30 -0.00 -0.75 0.00 -2.04 -2.49 119.26 117.96 1uf2 h ALA 209 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uf2 h ALA 209 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1uf2 h ALA 209 CO 0.02 -0.55 -0.63 1.33 0.00 0.00 0.00 179.25 179.43 1uf2 n VAL 210 N -4.45 0.00 -1.67 0.00 0.24 -1.14 -4.66 118.33 106.64 1uf2 n VAL 210 Ca 0.17 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.87 1uf2 n VAL 210 Cb 0.68 1.05 0.02 0.00 -1.47 0.00 0.00 33.84 34.11 1uf2 n VAL 210 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1uf2 n ARG 211 N -1.05 1.69 -2.47 7.34 0.63 -0.94 -4.25 116.66 117.62 1uf2 n ARG 211 Ca 0.04 0.61 -0.40 0.00 -0.92 0.00 0.00 57.85 57.17 1uf2 n ARG 211 Cb 0.26 -2.29 -0.04 0.00 0.45 0.00 0.00 32.46 30.85 1uf2 n ARG 211 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1uf2 s GLU 212 N -2.22 4.63 0.31 -0.14 0.41 -1.26 -4.95 118.70 115.49 1uf2 s GLU 212 Ca 0.63 1.81 0.10 0.00 -0.41 0.00 0.00 54.97 57.11 1uf2 s GLU 212 Cb -0.51 -3.19 -0.06 0.00 -1.78 0.00 0.00 34.13 28.59 1uf2 s GLU 212 CO 0.56 0.20 -0.14 1.03 -0.49 0.00 0.00 175.26 176.42 1uf2 s ARG 213 N -1.41 1.75 0.39 1.61 0.52 -1.26 -4.97 118.95 115.57 1uf2 s ARG 213 Ca 0.45 -1.86 0.13 0.00 -0.52 0.00 0.00 55.73 53.92 1uf2 s ARG 213 Cb -0.32 -1.70 0.78 0.00 0.52 0.00 0.00 34.95 34.22 1uf2 s ARG 213 CO 0.41 0.21 1.86 0.00 0.02 0.00 0.00 175.30 177.81 1uf2 h ALA 214 N 2.14 1.45 -0.17 2.13 0.00 -1.92 -2.89 119.26 120.00 1uf2 h ALA 214 Ca -0.41 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.25 1uf2 h ALA 214 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1uf2 h ALA 214 CO 0.66 0.41 0.40 -0.91 0.00 0.00 0.00 179.25 179.81 1uf2 h ASN 215 N 0.00 0.00 0.65 0.00 2.35 -1.96 0.10 115.58 116.73 1uf2 h ASN 215 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1uf2 h ASN 215 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1uf2 h ASN 215 CO 0.04 0.00 -0.30 0.18 -1.65 0.00 0.00 177.43 175.70 1uf2 n LEU 216 N -3.21 0.35 -4.58 1.61 4.77 -1.09 -4.91 117.00 109.93 1uf2 n LEU 216 Ca 0.02 0.16 -0.26 0.00 -0.03 0.00 0.00 56.01 55.90 1uf2 n LEU 216 Cb 0.50 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1uf2 n LEU 216 CO 0.19 0.08 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.67 1uf2 s TYR 217 N -2.96 2.46 -0.03 -1.77 1.51 0.36 -0.90 117.35 116.02 1uf2 s TYR 217 Ca 0.13 -0.52 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1uf2 s TYR 217 Cb 0.18 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1uf2 s TYR 217 CO 0.62 0.53 0.08 -1.01 -1.11 0.00 0.00 175.55 174.66 1uf2 s HIS 218 N -2.61 -0.06 0.05 2.71 3.76 -0.92 -3.48 115.29 114.75 1uf2 s HIS 218 Ca 0.34 0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 55.34 1uf2 s HIS 218 Cb 0.03 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.68 1uf2 s HIS 218 CO 0.17 -0.07 0.30 0.50 -0.85 0.00 0.00 174.74 174.79 1uf2 s ARG 219 N -0.17 3.59 -0.07 1.40 3.52 -0.06 -2.08 118.95 125.08 1uf2 s ARG 219 Ca -0.02 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1uf2 s ARG 219 Cb -0.02 -3.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1uf2 s ARG 219 CO 0.00 0.59 -0.10 0.71 -0.81 0.00 0.00 175.30 175.70 1uf2 s TYR 220 N -1.42 1.31 -0.41 5.12 1.51 0.23 0.20 117.35 123.88 1uf2 s TYR 220 Ca 0.32 -0.49 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 1uf2 s TYR 220 Cb -0.13 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1uf2 s TYR 220 CO 0.20 -0.30 0.62 -1.12 -1.11 0.00 0.00 175.55 173.84 1uf2 s SER 221 N 0.89 6.34 0.10 2.29 0.01 -0.62 -2.17 113.70 120.54 1uf2 s SER 221 Ca -0.11 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 56.99 1uf2 s SER 221 Cb -0.15 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1uf2 s SER 221 CO 0.01 -0.70 -0.06 -0.69 0.41 0.00 0.00 173.24 172.21 1uf2 s VAL 222 N 2.71 3.59 -0.09 3.43 1.01 -0.68 -3.56 120.40 126.82 1uf2 s VAL 222 Ca 0.22 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1uf2 s VAL 222 Cb -0.14 -2.70 -0.20 0.00 0.00 0.00 0.00 36.38 33.34 1uf2 s VAL 222 CO 0.17 0.10 2.89 -0.81 0.00 0.00 0.00 175.10 177.45 1uf2 n PRO 223 N 0.61 1.64 -4.21 2.72 -0.04 -1.26 -2.29 135.00 132.16 1uf2 n PRO 223 Ca -0.12 -0.84 -0.17 0.00 -0.04 0.00 0.00 63.50 62.32 1uf2 n PRO 223 Cb 0.52 -1.94 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 1uf2 n PRO 223 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1uf2 s TYR 224 N 1.55 0.89 0.44 0.54 1.51 -1.24 -4.84 117.35 116.20 1uf2 s TYR 224 Ca 0.52 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 56.01 1uf2 s TYR 224 Cb 0.24 -0.53 -0.09 0.00 -0.11 0.00 0.00 41.96 41.47 1uf2 s TYR 224 CO -0.00 -0.01 1.03 -1.58 -1.11 0.00 0.00 175.55 173.88 1uf2 s HIS 225 N -0.89 3.15 0.16 2.71 5.65 -1.26 -2.68 115.29 122.13 1uf2 s HIS 225 Ca -0.02 1.61 -0.21 0.00 0.25 0.00 0.00 55.06 56.69 1uf2 s HIS 225 Cb -0.07 -3.07 0.06 0.00 -1.18 0.00 0.00 32.58 28.32 1uf2 s HIS 225 CO 0.01 -0.65 1.63 0.37 -0.65 0.00 0.00 174.74 175.44 1uf2 h GLN 226 N 2.01 -0.19 -1.05 2.88 5.75 -1.83 0.58 115.11 123.26 1uf2 h GLN 226 Ca -0.49 0.01 0.28 0.00 -0.15 0.00 0.00 58.65 58.31 1uf2 h GLN 226 Cb 1.21 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.74 1uf2 h GLN 226 CO 0.61 -0.13 0.71 0.97 -2.65 0.00 0.00 178.83 178.34 1uf2 h ILE 227 N -0.20 0.51 -0.36 2.39 2.10 -1.96 -0.74 117.51 119.24 1uf2 h ILE 227 Ca 0.16 -0.07 -0.03 0.00 1.08 0.00 0.00 64.86 66.00 1uf2 h ILE 227 Cb 0.46 0.27 -0.02 0.00 -1.09 0.00 0.00 36.82 36.44 1uf2 h ILE 227 CO -0.44 0.04 0.10 -0.33 -1.08 0.00 0.00 178.15 176.44 1uf2 h GLU 228 N 0.21 0.57 -0.61 2.19 5.08 -1.23 -3.13 114.58 117.66 1uf2 h GLU 228 Ca 0.55 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.59 1uf2 h GLU 228 Cb 1.74 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.80 1uf2 h GLU 228 CO -0.15 0.60 0.19 1.47 -1.00 0.00 0.00 179.01 180.12 1uf2 n LEU 229 N -4.62 5.45 -0.02 1.33 -0.00 -0.36 -4.51 117.00 114.27 1uf2 n LEU 229 Ca -0.01 -3.29 -0.11 0.00 -0.00 0.00 0.00 56.01 52.60 1uf2 n LEU 229 Cb 0.18 -0.70 -0.09 0.00 -0.00 0.00 0.00 43.42 42.82 1uf2 n LEU 229 CO 0.38 0.87 0.35 0.00 -0.00 0.00 0.00 177.39 178.99 1uf2 h ALA 230 N 2.18 -0.07 -1.18 1.47 0.00 -1.30 -3.29 119.26 117.06 1uf2 h ALA 230 Ca 0.23 -0.30 0.44 0.00 0.00 0.00 0.00 54.91 55.28 1uf2 h ALA 230 Cb 2.11 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.78 1uf2 h ALA 230 CO 0.62 -0.13 0.72 -0.11 0.00 0.00 0.00 179.25 180.35 1uf2 n LEU 231 N -4.77 0.26 0.00 0.00 7.94 -1.26 0.15 117.00 119.31 1uf2 n LEU 231 Ca -0.07 1.44 0.03 0.00 -1.11 0.00 0.00 56.01 56.29 1uf2 n LEU 231 Cb 0.31 -0.70 0.15 0.00 0.53 0.00 0.00 43.42 43.70 1uf2 n LEU 231 CO 0.25 -1.58 0.52 1.41 -1.11 0.00 0.00 177.39 176.88 1uf2 n HIS 232 N -4.85 0.00 -0.09 1.96 8.25 -1.24 -2.25 115.22 117.00 1uf2 n HIS 232 Ca 0.38 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.74 1uf2 n HIS 232 Cb 1.40 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 32.37 1uf2 n HIS 232 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uf2 n ALA 233 N -0.59 1.55 0.15 -1.41 0.00 0.39 -3.79 120.51 116.81 1uf2 n ALA 233 Ca 0.04 -1.19 0.04 0.00 0.00 0.00 0.00 53.44 52.33 1uf2 n ALA 233 Cb 0.02 -0.13 0.46 0.00 0.00 0.00 0.00 19.45 19.80 1uf2 n ALA 233 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uf2 h LEU 234 N 0.00 0.16 0.13 0.00 3.38 -1.47 -1.55 115.31 115.97 1uf2 h LEU 234 Ca -0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1uf2 h LEU 234 Cb 2.10 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1uf2 h LEU 234 CO 0.02 0.27 -0.06 0.00 0.09 0.00 0.00 178.44 178.76 1uf2 h ALA 235 N 1.75 -0.18 -1.00 1.53 0.00 -1.70 -2.84 119.26 116.82 1uf2 h ALA 235 Ca 0.04 -0.15 0.39 0.00 0.00 0.00 0.00 54.91 55.20 1uf2 h ALA 235 Cb 0.25 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.93 1uf2 h ALA 235 CO 0.01 -0.47 0.45 -1.71 0.00 0.00 0.00 179.25 177.53 1uf2 n ASN 236 N -5.05 0.27 -0.05 0.00 5.15 -0.61 -0.10 115.26 114.88 1uf2 n ASN 236 Ca -0.09 1.66 -0.09 0.00 -0.60 0.00 0.00 54.58 55.47 1uf2 n ASN 236 Cb 0.19 -0.77 -0.02 0.00 -0.53 0.00 0.00 39.78 38.64 1uf2 n ASN 236 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1uf2 h ASP 237 N 0.00 0.07 -0.99 1.20 5.19 -1.24 -2.39 116.42 118.25 1uf2 h ASP 237 Ca 0.80 0.02 0.33 0.00 -0.62 0.00 0.00 57.03 57.57 1uf2 h ASP 237 Cb 2.07 0.02 -0.15 0.00 0.18 0.00 0.00 39.33 41.44 1uf2 h ASP 237 CO -0.80 0.07 0.53 -0.07 -3.12 0.00 0.00 179.24 175.85 1uf2 h LEU 238 N 0.16 0.42 -0.90 1.55 3.38 -0.56 -0.34 115.31 119.02 1uf2 h LEU 238 Ca 0.09 0.20 0.25 0.00 0.09 0.00 0.00 57.88 58.52 1uf2 h LEU 238 Cb 0.07 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.84 1uf2 h LEU 238 CO -0.10 -0.19 0.16 0.25 0.09 0.00 0.00 178.44 178.65 1uf2 h LEU 239 N 0.26 -0.17 0.00 1.67 5.85 -1.45 0.29 115.31 121.76 1uf2 h LEU 239 Ca 0.74 0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.68 1uf2 h LEU 239 Cb 1.71 0.34 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1uf2 h LEU 239 CO -0.64 -0.24 -1.10 -1.54 -0.34 0.00 0.00 178.44 174.58 1uf2 n SER 240 N -5.32 0.64 -0.02 1.25 3.41 -0.16 -2.72 113.62 110.70 1uf2 n SER 240 Ca 0.22 0.08 -0.16 0.00 -0.26 0.00 0.00 58.87 58.75 1uf2 n SER 240 Cb 0.71 0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 65.30 1uf2 n SER 240 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1uf2 h ILE 241 N 0.00 1.47 0.03 -1.33 1.08 -0.82 -3.38 117.51 114.55 1uf2 h ILE 241 Ca 0.00 -1.90 -0.08 0.00 -0.39 0.00 0.00 64.86 62.50 1uf2 h ILE 241 Cb 0.88 2.56 -0.00 0.00 -3.07 0.00 0.00 36.82 37.18 1uf2 h ILE 241 CO 0.00 0.54 -0.38 1.56 -0.69 0.00 0.00 178.15 179.18 1uf2 h GLN 242 N -0.27 0.06 -6.35 2.37 4.20 -1.18 -3.47 115.11 110.46 1uf2 h GLN 242 Ca -0.04 -0.10 -0.44 0.00 0.06 0.00 0.00 58.65 58.13 1uf2 h GLN 242 Cb 1.07 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.90 1uf2 h GLN 242 CO 0.07 1.05 -0.32 0.71 -0.67 0.00 0.00 178.83 179.68 1uf2 s TYR 243 N -2.28 2.92 0.29 2.96 1.51 -1.10 -1.85 117.35 119.79 1uf2 s TYR 243 Ca -0.20 -0.34 -0.19 0.00 -1.01 0.00 0.00 57.07 55.34 1uf2 s TYR 243 Cb -0.01 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.69 1uf2 s TYR 243 CO 0.70 -0.20 0.70 0.00 -1.11 0.00 0.00 175.55 175.64 1uf2 s HIS 245 N -3.65 3.70 0.40 0.00 2.46 -1.26 -1.13 115.29 115.80 1uf2 s HIS 245 Ca 0.13 1.79 0.22 0.00 0.47 0.00 0.00 55.06 57.67 1uf2 s HIS 245 Cb -0.05 -3.00 1.22 0.00 -0.13 0.00 0.00 32.58 30.61 1uf2 s HIS 245 CO 0.08 0.08 1.68 -1.35 -2.47 0.00 0.00 174.74 172.76 1uf2 h PRO 246 N 3.39 0.25 -0.67 2.88 0.11 -1.84 0.30 132.00 136.42 1uf2 h PRO 246 Ca -0.47 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.77 1uf2 h PRO 246 Cb 1.20 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1uf2 h PRO 246 CO 0.66 0.17 -0.02 1.15 -0.21 0.00 0.00 178.00 179.74 1uf2 h THR 247 N 0.26 0.41 -0.28 -1.15 2.02 -1.92 0.51 112.91 112.77 1uf2 h THR 247 Ca 0.72 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.91 1uf2 h THR 247 Cb 1.96 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 1uf2 h THR 247 CO -0.44 0.02 0.01 0.58 0.37 0.00 0.00 175.52 176.06 1uf2 h VAL 248 N 0.09 0.82 -0.60 3.16 2.07 -0.76 -1.89 116.25 119.14 1uf2 h VAL 248 Ca 0.35 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1uf2 h VAL 248 Cb 0.59 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1uf2 h VAL 248 CO -0.60 0.02 0.22 0.58 0.02 0.00 0.00 177.57 177.81 1uf2 h VAL 249 N 0.10 0.77 0.55 2.57 2.07 -0.95 -1.16 116.25 120.20 1uf2 h VAL 249 Ca 0.13 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1uf2 h VAL 249 Cb 0.17 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1uf2 h VAL 249 CO -0.21 0.07 -0.46 0.22 0.02 0.00 0.00 177.57 177.21 1uf2 h TYR 250 N 0.40 -1.26 -1.10 1.57 3.20 -0.44 -0.61 116.97 118.72 1uf2 h TYR 250 Ca 0.30 0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.48 1uf2 h TYR 250 Cb 0.37 0.48 -0.10 0.00 1.54 0.00 0.00 36.73 39.02 1uf2 h TYR 250 CO -0.17 -0.64 0.71 -0.91 -1.64 0.00 0.00 178.16 175.52 1uf2 h ASN 251 N -0.99 0.38 0.07 -2.11 2.35 -0.89 0.25 115.58 114.65 1uf2 h ASN 251 Ca -0.07 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1uf2 h ASN 251 Cb 0.83 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1uf2 h ASN 251 CO -0.00 0.02 -0.03 0.22 -1.65 0.00 0.00 177.43 175.99 1uf2 h TYR 252 N 0.31 -0.09 -0.71 1.19 3.20 -0.71 -2.84 116.97 117.33 1uf2 h TYR 252 Ca 0.64 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.66 1uf2 h TYR 252 Cb 1.76 0.03 -0.11 0.00 1.54 0.00 0.00 36.73 39.95 1uf2 h TYR 252 CO -0.00 -0.05 0.14 -0.07 -1.64 0.00 0.00 178.16 176.54 1uf2 h LEU 253 N -0.17 -0.04 -1.29 2.82 3.38 -0.63 -1.66 115.31 117.73 1uf2 h LEU 253 Ca -0.01 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1uf2 h LEU 253 Cb 0.07 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1uf2 h LEU 253 CO 0.02 -0.05 -0.24 0.77 0.09 0.00 0.00 178.44 179.03 1uf2 h SER 254 N 0.24 0.18 1.77 -0.43 4.64 -0.65 -2.17 113.55 117.14 1uf2 h SER 254 Ca 0.39 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1uf2 h SER 254 Cb 0.66 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1uf2 h SER 254 CO -0.51 0.43 0.00 0.77 -0.87 0.00 0.00 176.83 176.65 1uf2 h SER 255 N 0.17 0.00 0.85 4.97 4.64 -1.05 -3.14 113.55 119.99 1uf2 h SER 255 Ca 0.03 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 1uf2 h SER 255 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1uf2 h SER 255 CO 0.04 0.00 -0.78 0.03 -0.87 0.00 0.00 176.83 175.25 1uf2 h ARG 256 N 0.00 0.00 -5.74 4.77 3.08 -0.97 -3.46 114.38 112.07 1uf2 h ARG 256 Ca 0.00 0.00 -0.83 0.00 0.07 0.00 0.00 59.98 59.22 1uf2 h ARG 256 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1uf2 h ARG 256 CO 0.00 0.78 0.74 0.00 -1.07 0.00 0.00 179.97 180.42 1uf2 n ALA 257 N -2.37 -1.10 -1.51 0.04 0.00 -1.10 -4.88 120.51 109.59 1uf2 n ALA 257 Ca -0.00 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1uf2 n ALA 257 Cb 0.77 -1.86 0.10 0.00 0.00 0.00 0.00 19.45 18.46 1uf2 n ALA 257 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1uf2 s PRO 258 N 3.25 1.87 0.13 0.00 0.04 -1.26 -4.87 135.00 134.16 1uf2 s PRO 258 Ca 1.02 0.62 -0.34 0.00 0.04 0.00 0.00 61.00 62.35 1uf2 s PRO 258 Cb -1.43 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 31.04 1uf2 s PRO 258 CO 0.76 -1.76 0.97 -1.71 0.04 0.00 0.00 177.00 175.30 1uf2 n ASN 259 N -3.53 0.25 -0.00 6.66 5.15 -1.26 -2.08 115.26 120.45 1uf2 n ASN 259 Ca 0.07 1.14 -0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1uf2 n ASN 259 Cb 0.56 -1.06 -0.00 0.00 -0.53 0.00 0.00 39.78 38.76 1uf2 n ASN 259 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1uf2 n PHE 260 N 1.10 0.00 -4.24 1.20 0.99 -1.26 -5.01 117.46 110.23 1uf2 n PHE 260 Ca 0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.48 1uf2 n PHE 260 Cb 0.20 -0.15 -0.10 0.00 -1.00 0.00 0.00 39.48 38.42 1uf2 n PHE 260 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1uf2 s LEU 261 N -0.01 2.44 0.05 4.37 1.43 -0.88 -1.78 118.68 124.30 1uf2 s LEU 261 Ca 0.00 -1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 52.01 1uf2 s LEU 261 Cb 0.00 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.94 1uf2 s LEU 261 CO 0.00 -0.40 0.03 -0.13 0.23 0.00 0.00 176.35 176.08 1uf2 s ARG 262 N -3.80 0.60 0.08 1.70 0.52 -0.13 -4.71 118.95 113.21 1uf2 s ARG 262 Ca 0.18 -1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 54.09 1uf2 s ARG 262 Cb 0.04 0.22 -0.06 0.00 0.52 0.00 0.00 34.95 35.67 1uf2 s ARG 262 CO 0.01 -0.14 1.19 -1.17 0.02 0.00 0.00 175.30 175.22 1uf2 s LEU 263 N -2.55 4.38 0.29 2.53 2.96 -1.26 -1.15 118.68 123.88 1uf2 s LEU 263 Ca 0.01 2.03 -0.24 0.00 -0.22 0.00 0.00 54.13 55.71 1uf2 s LEU 263 Cb 0.03 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.98 1uf2 s LEU 263 CO -0.08 -0.45 0.31 -0.67 -1.32 0.00 0.00 176.35 174.14 1uf2 n ASP 264 N 3.74 -2.00 0.18 3.68 -0.08 -0.00 -4.66 116.55 117.39 1uf2 n ASP 264 Ca 0.08 0.97 -0.07 0.00 -1.51 0.00 0.00 54.79 54.26 1uf2 n ASP 264 Cb 0.46 -0.91 -0.03 0.00 2.34 0.00 0.00 41.12 42.98 1uf2 n ASP 264 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1uf2 h ASP 265 N 0.67 -0.41 -0.93 1.67 3.32 -1.91 -1.39 116.42 117.44 1uf2 h ASP 265 Ca -0.32 0.02 0.22 0.00 0.02 0.00 0.00 57.03 56.97 1uf2 h ASP 265 Cb 1.42 0.11 -0.17 0.00 0.22 0.00 0.00 39.33 40.91 1uf2 h ASP 265 CO 0.51 -0.28 -0.06 1.56 -1.72 0.00 0.00 179.24 179.25 1uf2 h GLN 266 N -0.46 0.03 -0.16 3.56 4.20 -1.99 0.97 115.11 121.26 1uf2 h GLN 266 Ca -0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1uf2 h GLN 266 Cb 0.36 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1uf2 h GLN 266 CO 0.07 0.02 0.10 0.28 -0.67 0.00 0.00 178.83 178.62 1uf2 h VAL 267 N 0.03 1.03 -0.13 -0.54 2.07 -1.91 0.14 116.25 116.94 1uf2 h VAL 267 Ca 0.52 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 68.01 1uf2 h VAL 267 Cb 0.96 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1uf2 h VAL 267 CO -0.89 0.04 -0.18 0.28 0.02 0.00 0.00 177.57 176.84 1uf2 h SER 268 N 0.20 -0.55 0.31 0.57 0.02 0.18 -1.10 113.55 113.18 1uf2 h SER 268 Ca 0.06 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1uf2 h SER 268 Cb -0.01 0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1uf2 h SER 268 CO -0.02 -0.23 -0.15 0.25 -1.14 0.00 0.00 176.83 175.55 1uf2 h LEU 269 N -0.22 -0.35 -0.83 5.07 6.46 0.30 0.20 115.31 125.94 1uf2 h LEU 269 Ca 0.10 -0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.97 1uf2 h LEU 269 Cb 0.36 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.30 1uf2 h LEU 269 CO -0.26 -0.22 0.44 0.50 -0.62 0.00 0.00 178.44 178.29 1uf2 h LYS 270 N -0.45 0.66 -0.30 1.25 3.64 -0.84 0.30 116.57 120.83 1uf2 h LYS 270 Ca -0.04 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1uf2 h LYS 270 Cb 0.34 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1uf2 h LYS 270 CO 0.07 0.43 0.04 -0.07 -2.27 0.00 0.00 179.45 177.66 1uf2 h LEU 271 N 0.68 0.48 -0.48 5.20 3.38 -0.80 -3.15 115.31 120.61 1uf2 h LEU 271 Ca 0.44 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1uf2 h LEU 271 Cb 0.54 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1uf2 h LEU 271 CO -0.32 0.62 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1uf2 h THR 272 N 0.32 0.00 0.00 0.22 1.03 0.48 -3.20 112.91 111.75 1uf2 h THR 272 Ca 0.09 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.75 1uf2 h THR 272 Cb 0.35 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 1uf2 h THR 272 CO 0.01 0.00 -0.39 -1.54 -0.01 0.00 0.00 175.52 173.59 1uf2 n SER 273 N -2.94 0.60 -4.61 0.00 3.41 0.95 -4.92 113.62 106.11 1uf2 n SER 273 Ca 0.03 0.20 -0.46 0.00 -0.26 0.00 0.00 58.87 58.38 1uf2 n SER 273 Cb 0.43 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1uf2 n SER 273 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uf2 n ALA 274 N -1.72 -0.06 -1.95 7.33 0.00 -1.20 -4.98 120.51 117.93 1uf2 n ALA 274 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1uf2 n ALA 274 Cb 0.41 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1uf2 n ALA 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uf2 n GLY 275 N 1.57 0.88 3.76 0.00 0.00 -1.26 -4.92 105.19 105.22 1uf2 n GLY 275 Ca 0.11 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 1uf2 n GLY 275 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uf2 s ILE 276 N 0.78 2.76 0.00 -0.61 2.07 -1.26 -3.22 121.20 121.72 1uf2 s ILE 276 Ca 0.00 0.49 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1uf2 s ILE 276 Cb 0.00 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.39 1uf2 s ILE 276 CO 0.00 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 1uf2 n GLY 277 N 0.44 1.11 3.84 1.50 0.00 -1.26 -4.97 105.19 105.86 1uf2 n GLY 277 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1uf2 n GLY 277 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uf2 s THR 278 N -2.64 4.84 0.05 2.61 -4.23 -1.20 -2.19 115.64 112.89 1uf2 s THR 278 Ca 0.00 0.83 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 1uf2 s THR 278 Cb 0.00 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 1uf2 s THR 278 CO 0.00 0.20 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.46 1uf2 s LEU 279 N -2.06 2.34 0.05 4.79 1.02 0.93 -4.40 118.68 121.35 1uf2 s LEU 279 Ca 0.39 -0.71 -0.18 0.00 0.02 0.00 0.00 54.13 53.65 1uf2 s LEU 279 Cb -0.15 -0.07 0.04 0.00 0.02 0.00 0.00 46.19 46.03 1uf2 s LEU 279 CO 0.19 -0.32 0.43 0.00 0.02 0.00 0.00 176.35 176.67 1uf2 s MET 280 N -2.38 0.96 0.39 1.70 0.23 -0.28 -0.41 119.30 119.50 1uf2 s MET 280 Ca -0.03 -0.39 -0.27 0.00 -1.03 0.00 0.00 55.69 53.97 1uf2 s MET 280 Cb -0.04 0.43 -0.11 0.00 -1.53 0.00 0.00 34.83 33.58 1uf2 s MET 280 CO -0.02 -0.34 1.35 -0.35 -2.03 0.00 0.00 175.02 173.63 1uf2 n PRO 281 N 0.40 2.20 -2.36 3.16 -0.04 -1.26 -1.24 135.00 135.86 1uf2 n PRO 281 Ca -0.18 0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 1uf2 n PRO 281 Cb 0.60 -2.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 1uf2 n PRO 281 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1uf2 s ARG 282 N -2.11 4.53 0.16 0.54 0.52 -0.77 -4.82 118.95 117.00 1uf2 s ARG 282 Ca 0.57 1.92 -0.24 0.00 -0.52 0.00 0.00 55.73 57.47 1uf2 s ARG 282 Cb -0.51 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 31.70 1uf2 s ARG 282 CO 0.61 0.03 0.74 -2.14 0.02 0.00 0.00 175.30 174.56 1uf2 s PRO 283 N -1.17 4.47 0.01 3.54 0.02 -1.26 -4.61 135.00 135.99 1uf2 s PRO 283 Ca 0.48 1.05 -0.01 0.00 0.02 0.00 0.00 61.00 62.54 1uf2 s PRO 283 Cb -0.34 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.97 1uf2 s PRO 283 CO 0.42 0.56 0.00 0.14 -0.33 0.00 0.00 177.00 177.79 1uf2 s VAL 284 N -1.20 0.09 -0.31 3.83 -7.23 -1.02 -5.00 120.40 109.56 1uf2 s VAL 284 Ca 0.36 -0.76 -0.15 0.00 -1.81 0.00 0.00 61.98 59.62 1uf2 s VAL 284 Cb -0.22 -0.26 -0.02 0.00 0.56 0.00 0.00 36.38 36.45 1uf2 s VAL 284 CO 0.24 -0.42 0.39 -0.69 -0.31 0.00 0.00 175.10 174.32 1uf2 s VAL 285 N -1.25 5.15 -0.42 1.32 1.01 -1.26 -1.91 120.40 123.03 1uf2 s VAL 285 Ca -0.14 0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 1uf2 s VAL 285 Cb -0.08 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1uf2 s VAL 285 CO -0.00 -0.01 0.76 -1.58 0.00 0.00 0.00 175.10 174.26 1uf2 s GLN 286 N 2.10 3.49 -0.06 2.72 0.74 -1.25 -4.85 119.66 122.54 1uf2 s GLN 286 Ca 0.14 -0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.56 1uf2 s GLN 286 Cb -0.16 -3.90 -0.00 0.00 1.10 0.00 0.00 33.01 30.05 1uf2 s GLN 286 CO 0.11 -1.01 -0.21 -0.51 -0.55 0.00 0.00 175.29 173.12 1uf2 s LEU 287 N 3.15 1.98 0.52 3.68 1.43 -1.26 -5.08 118.68 123.09 1uf2 s LEU 287 Ca 0.29 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1uf2 s LEU 287 Cb -0.13 -1.19 0.06 0.00 0.03 0.00 0.00 46.19 44.96 1uf2 s LEU 287 CO 0.20 0.17 0.69 -0.76 0.23 0.00 0.00 176.35 176.89 1uf2 s LEU 288 N 0.11 3.30 -1.18 1.79 1.43 -1.26 -4.58 118.68 118.29 1uf2 s LEU 288 Ca -0.08 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1uf2 s LEU 288 Cb -0.14 -2.00 0.23 0.00 0.03 0.00 0.00 46.19 44.31 1uf2 s LEU 288 CO 0.04 -1.11 1.85 -0.67 0.23 0.00 0.00 176.35 176.69 1uf2 n ASP 289 N -2.08 6.58 -0.14 2.29 -0.08 -1.26 -4.87 116.55 116.99 1uf2 n ASP 289 Ca 0.12 -3.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.08 1uf2 n ASP 289 Cb 0.61 -1.33 0.03 0.00 2.34 0.00 0.00 41.12 42.77 1uf2 n ASP 289 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1uf2 n TYR 290 N 1.83 0.05 -0.69 -0.67 9.36 -1.26 -0.21 117.16 125.57 1uf2 n TYR 290 Ca 0.41 0.45 0.52 0.00 3.32 0.00 0.00 57.90 62.61 1uf2 n TYR 290 Cb 0.31 -0.66 0.80 0.00 -0.63 0.00 0.00 39.34 39.16 1uf2 n TYR 290 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1uf2 n ASP 291 N -4.56 0.01 0.27 2.98 8.00 -1.26 0.14 116.55 122.12 1uf2 n ASP 291 Ca 0.04 1.00 0.12 0.00 0.71 0.00 0.00 54.79 56.66 1uf2 n ASP 291 Cb 0.16 -0.50 0.74 0.00 -0.02 0.00 0.00 41.12 41.50 1uf2 n ASP 291 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1uf2 h LEU 292 N 0.00 0.00 -0.90 0.64 3.38 -1.00 -2.84 115.31 114.59 1uf2 h LEU 292 Ca 0.92 0.00 0.21 0.00 0.09 0.00 0.00 57.88 59.10 1uf2 h LEU 292 Cb 3.67 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 44.31 1uf2 h LEU 292 CO -0.04 0.09 0.42 0.58 0.09 0.00 0.00 178.44 179.59 1uf2 h VAL 293 N 0.00 0.53 0.00 1.22 2.07 -0.52 0.10 116.25 119.65 1uf2 h VAL 293 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1uf2 h VAL 293 Cb 0.23 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1uf2 h VAL 293 CO 0.01 0.08 0.00 -1.22 0.02 0.00 0.00 177.57 176.47 1uf2 n TYR 294 N -5.00 0.00 0.05 1.57 4.02 -1.07 -3.16 117.16 113.57 1uf2 n TYR 294 Ca 0.21 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.22 1uf2 n TYR 294 Cb 0.62 -0.06 -0.12 0.00 -0.02 0.00 0.00 39.34 39.76 1uf2 n TYR 294 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1uf2 n MET 295 N -0.16 0.63 -4.06 -0.72 2.81 0.36 -4.89 117.12 111.08 1uf2 n MET 295 Ca 0.00 -0.10 -0.24 0.00 -1.81 0.00 0.00 57.70 55.55 1uf2 n MET 295 Cb 0.16 -1.61 -0.17 0.00 -0.71 0.00 0.00 33.22 30.90 1uf2 n MET 295 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1uf2 s SER 296 N -4.71 1.67 0.33 7.83 0.15 -1.19 -4.94 113.70 112.84 1uf2 s SER 296 Ca -0.05 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.47 1uf2 s SER 296 Cb 0.13 -0.65 0.78 0.00 -1.71 0.00 0.00 66.02 64.57 1uf2 s SER 296 CO 0.87 -0.09 1.83 1.55 1.20 0.00 0.00 173.24 178.60 1uf2 h PRO 297 N 7.76 0.71 0.60 5.44 0.13 -1.83 -0.58 132.00 144.24 1uf2 h PRO 297 Ca -0.30 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1uf2 h PRO 297 Cb 1.14 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 32.12 1uf2 h PRO 297 CO 0.40 0.47 -0.29 1.25 -0.23 0.00 0.00 178.00 179.60 1uf2 h LEU 298 N 0.73 -0.69 -0.69 1.56 6.46 -1.87 -1.79 115.31 119.02 1uf2 h LEU 298 Ca 0.51 -0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.38 1uf2 h LEU 298 Cb 0.81 0.18 -0.13 0.00 -0.73 0.00 0.00 40.66 40.79 1uf2 h LEU 298 CO -0.27 -0.33 -0.17 0.00 -0.62 0.00 0.00 178.44 177.05 1uf2 h ALA 299 N -0.90 0.46 -0.13 1.25 0.00 -1.54 0.40 119.26 118.81 1uf2 h ALA 299 Ca -0.08 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1uf2 h ALA 299 Cb 0.67 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1uf2 h ALA 299 CO 0.14 -0.42 0.08 1.25 0.00 0.00 0.00 179.25 180.30 1uf2 h LEU 300 N 0.00 0.15 -0.43 0.00 5.85 -1.15 -1.16 115.31 118.57 1uf2 h LEU 300 Ca 0.33 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1uf2 h LEU 300 Cb 0.51 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1uf2 h LEU 300 CO -0.71 0.15 0.22 -1.13 -0.34 0.00 0.00 178.44 176.63 1uf2 h ASN 301 N 0.14 0.33 -0.11 1.25 -0.73 -0.33 -0.19 115.58 115.94 1uf2 h ASN 301 Ca 0.05 0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.26 1uf2 h ASN 301 Cb 0.03 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 1uf2 h ASN 301 CO -0.01 0.24 -0.04 0.78 -0.37 0.00 0.00 177.43 178.04 1uf2 h ASN 302 N 0.45 -0.12 -0.51 1.15 4.21 -0.66 0.32 115.58 120.42 1uf2 h ASN 302 Ca 0.18 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.73 1uf2 h ASN 302 Cb 0.07 0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.32 1uf2 h ASN 302 CO -0.12 -0.05 0.34 0.25 -1.29 0.00 0.00 177.43 176.56 1uf2 h LEU 303 N -0.01 0.59 0.02 1.61 5.85 -0.85 -1.52 115.31 120.99 1uf2 h LEU 303 Ca 0.05 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1uf2 h LEU 303 Cb 0.10 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1uf2 h LEU 303 CO -0.12 0.42 -0.01 0.00 -0.34 0.00 0.00 178.44 178.40 1uf2 h ALA 304 N 1.19 -0.03 -0.96 1.25 0.00 -0.73 0.33 119.26 120.32 1uf2 h ALA 304 Ca 0.19 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.25 1uf2 h ALA 304 Cb -0.07 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.59 1uf2 h ALA 304 CO -0.04 -0.41 0.50 1.03 0.00 0.00 0.00 179.25 180.32 1uf2 h SER 305 N -0.24 0.47 0.01 0.00 0.87 -0.14 -1.90 113.55 112.62 1uf2 h SER 305 Ca -0.00 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1uf2 h SER 305 Cb 0.23 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1uf2 h SER 305 CO 0.00 -0.01 -0.28 -0.09 -0.53 0.00 0.00 176.83 175.93 1uf2 h ARG 306 N 0.43 0.17 -0.88 2.24 9.65 -0.78 -3.25 114.38 121.96 1uf2 h ARG 306 Ca 0.63 -0.20 0.17 0.00 -1.10 0.00 0.00 59.98 59.48 1uf2 h ARG 306 Cb 1.28 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 29.85 1uf2 h ARG 306 CO -0.54 0.95 0.57 -0.07 2.80 0.00 0.00 179.97 183.69 1uf2 h LEU 307 N -0.52 0.55 -0.32 3.80 3.38 -0.17 -2.37 115.31 119.65 1uf2 h LEU 307 Ca -0.04 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1uf2 h LEU 307 Cb 1.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1uf2 h LEU 307 CO 0.05 0.25 -0.65 -0.07 0.09 0.00 0.00 178.44 178.12 1uf2 h LEU 308 N 0.57 0.00 -1.78 1.67 3.38 -1.52 -3.30 115.31 114.32 1uf2 h LEU 308 Ca 0.45 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.56 1uf2 h LEU 308 Cb 0.89 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1uf2 h LEU 308 CO -0.20 0.65 0.42 0.03 0.09 0.00 0.00 178.44 179.43 1uf2 h ARG 309 N 0.00 0.22 0.00 1.13 3.08 -1.46 -2.64 114.38 114.72 1uf2 h ARG 309 Ca -0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1uf2 h ARG 309 Cb 1.36 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1uf2 h ARG 309 CO 0.08 0.15 -0.11 0.87 -1.07 0.00 0.00 179.97 179.89 1uf2 h LYS 310 N 0.23 0.00 -6.67 0.04 1.79 -1.69 -3.45 116.57 106.82 1uf2 h LYS 310 Ca 0.29 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.24 1uf2 h LYS 310 Cb 0.83 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.54 1uf2 h LYS 310 CO -0.06 0.11 1.01 -0.89 -1.08 0.00 0.00 179.45 178.54 1uf2 n ILE 311 N -3.16 0.06 -3.48 1.86 5.41 -1.00 -4.41 119.36 114.64 1uf2 n ILE 311 Ca 0.02 -0.01 -0.25 0.00 1.00 0.00 0.00 62.75 63.51 1uf2 n ILE 311 Cb 0.49 -2.00 -0.13 0.00 -0.71 0.00 0.00 39.64 37.30 1uf2 n ILE 311 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1uf2 s SER 312 N 1.14 2.76 0.01 4.38 0.15 -1.26 -5.07 113.70 115.81 1uf2 s SER 312 Ca 0.74 -1.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1uf2 s SER 312 Cb -0.50 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 1uf2 s SER 312 CO 0.33 -0.40 0.13 -0.76 1.20 0.00 0.00 173.24 173.74 1uf2 s LEU 313 N 2.01 4.11 -0.17 3.45 1.43 -1.26 -4.93 118.68 123.32 1uf2 s LEU 313 Ca 0.11 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1uf2 s LEU 313 Cb -0.16 -2.49 0.08 0.00 0.03 0.00 0.00 46.19 43.65 1uf2 s LEU 313 CO -0.29 0.25 0.25 -2.28 0.23 0.00 0.00 176.35 174.51 1uf2 s HIS 314 N -1.29 -0.40 0.28 0.29 5.65 -1.26 -5.11 115.29 113.45 1uf2 s HIS 314 Ca 0.26 0.64 0.08 0.00 0.25 0.00 0.00 55.06 56.29 1uf2 s HIS 314 Cb -0.12 -0.17 -0.04 0.00 -1.18 0.00 0.00 32.58 31.07 1uf2 s HIS 314 CO 0.18 -0.49 0.14 -0.51 -0.65 0.00 0.00 174.74 173.40 1uf2 s LEU 315 N 2.39 3.53 -0.17 8.88 1.43 -1.26 -4.94 118.68 128.53 1uf2 s LEU 315 Ca 0.05 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1uf2 s LEU 315 Cb -0.14 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1uf2 s LEU 315 CO -0.11 -0.09 -0.18 -0.69 0.23 0.00 0.00 176.35 175.51 1uf2 s VAL 316 N -2.25 2.29 0.14 -1.59 1.01 -1.26 -5.07 120.40 113.67 1uf2 s VAL 316 Ca 0.34 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1uf2 s VAL 316 Cb -0.07 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1uf2 s VAL 316 CO 0.23 0.53 -0.13 -0.04 0.00 0.00 0.00 175.10 175.69 1uf2 s MET 317 N 1.12 1.06 1.09 2.72 -1.94 -1.26 0.46 119.30 122.55 1uf2 s MET 317 Ca 0.01 -1.33 -0.16 0.00 -1.71 0.00 0.00 55.69 52.50 1uf2 s MET 317 Cb -0.14 -0.84 0.24 0.00 2.01 0.00 0.00 34.83 36.10 1uf2 s MET 317 CO -0.07 0.14 1.13 -0.65 -0.01 0.00 0.00 175.02 175.56 1uf2 s GLN 318 N -3.06 -0.33 0.05 2.03 -0.21 -0.58 -4.94 119.66 112.62 1uf2 s GLN 318 Ca 0.12 0.09 -0.31 0.00 0.02 0.00 0.00 55.36 55.29 1uf2 s GLN 318 Cb -0.02 -1.69 -0.06 0.00 1.00 0.00 0.00 33.01 32.24 1uf2 s GLN 318 CO 0.03 -3.15 1.35 -1.64 -2.12 0.00 0.00 175.29 169.76 1uf2 s MET 319 N -5.32 4.32 0.07 2.91 -1.94 -1.26 -4.93 119.30 113.17 1uf2 s MET 319 Ca 0.69 1.95 -0.35 0.00 -1.71 0.00 0.00 55.69 56.27 1uf2 s MET 319 Cb -0.12 -3.43 -0.18 0.00 2.01 0.00 0.00 34.83 33.12 1uf2 s MET 319 CO 0.56 -0.47 1.54 0.28 -0.01 0.00 0.00 175.02 176.92 1uf2 h VAL 320 N 4.63 0.00 -1.42 -6.03 2.07 -2.00 -2.26 116.25 111.25 1uf2 h VAL 320 Ca -0.40 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.55 1uf2 h VAL 320 Cb 1.19 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 1uf2 h VAL 320 CO 0.87 0.00 0.97 0.71 0.02 0.00 0.00 177.57 180.14 1uf2 h THR 321 N -1.07 0.22 0.16 2.57 1.35 -1.98 0.87 112.91 115.03 1uf2 h THR 321 Ca -0.08 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 1uf2 h THR 321 Cb 0.89 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1uf2 h THR 321 CO 0.02 0.02 -0.08 0.00 -0.25 0.00 0.00 175.52 175.23 1uf2 h ALA 322 N 1.41 -0.22 -0.25 6.62 0.00 -1.81 -2.29 119.26 122.72 1uf2 h ALA 322 Ca 0.76 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1uf2 h ALA 322 Cb 2.66 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.52 1uf2 h ALA 322 CO -0.20 -0.39 0.15 0.28 0.00 0.00 0.00 179.25 179.10 1uf2 h VAL 323 N -0.69 1.04 0.00 0.00 2.07 -0.68 -0.58 116.25 117.42 1uf2 h VAL 323 Ca -0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1uf2 h VAL 323 Cb 0.50 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1uf2 h VAL 323 CO 0.04 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1uf2 n GLN 324 N -4.94 0.17 0.00 1.57 10.64 -0.09 -1.05 117.38 123.68 1uf2 n GLN 324 Ca -0.02 0.52 -0.18 0.00 -1.83 0.00 0.00 57.00 55.49 1uf2 n GLN 324 Cb 0.04 -1.90 -0.14 0.00 -0.86 0.00 0.00 30.24 27.37 1uf2 n GLN 324 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1uf2 n GLN 325 N -2.23 0.73 0.31 2.61 6.02 -0.65 -2.49 117.38 121.67 1uf2 n GLN 325 Ca 0.00 0.27 -0.13 0.00 -0.01 0.00 0.00 57.00 57.14 1uf2 n GLN 325 Cb 0.14 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 29.60 1uf2 n GLN 325 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1uf2 h ASP 326 N 0.05 -0.71 -0.57 1.08 3.32 -0.47 -2.11 116.42 117.02 1uf2 h ASP 326 Ca -0.38 0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.81 1uf2 h ASP 326 Cb 2.03 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 41.73 1uf2 h ASP 326 CO 0.09 -0.33 0.39 -0.07 -1.72 0.00 0.00 179.24 177.60 1uf2 h LEU 327 N -1.19 0.22 0.11 1.55 3.38 -1.29 -1.30 115.31 116.79 1uf2 h LEU 327 Ca -0.09 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1uf2 h LEU 327 Cb 0.64 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1uf2 h LEU 327 CO 0.14 0.13 -0.50 1.23 0.09 0.00 0.00 178.44 179.53 1uf2 h GLY 328 N 0.24 -1.05 0.67 0.83 0.00 -1.22 -2.03 103.07 100.51 1uf2 h GLY 328 Ca 0.27 0.60 0.03 0.00 0.00 0.00 0.00 47.33 48.23 1uf2 h GLY 328 CO -0.05 -0.27 -0.10 0.83 0.00 0.00 0.00 176.54 176.95 1uf2 h GLU 329 N -0.72 -0.13 -1.07 4.80 5.08 -0.57 -1.80 114.58 120.17 1uf2 h GLU 329 Ca 0.01 0.01 0.36 0.00 -1.00 0.00 0.00 59.36 58.73 1uf2 h GLU 329 Cb 0.74 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.87 1uf2 h GLU 329 CO -0.28 -0.09 0.63 0.28 -1.00 0.00 0.00 179.01 178.55 1uf2 h VAL 330 N -0.13 0.23 0.19 3.13 2.07 -1.03 0.93 116.25 121.63 1uf2 h VAL 330 Ca 0.06 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1uf2 h VAL 330 Cb 0.22 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1uf2 h VAL 330 CO -0.15 0.04 -0.09 0.58 0.02 0.00 0.00 177.57 177.97 1uf2 h VAL 331 N 0.22 0.66 -0.63 2.57 2.07 -0.64 -3.23 116.25 117.27 1uf2 h VAL 331 Ca 0.76 -1.06 0.10 0.00 0.82 0.00 0.00 66.70 67.32 1uf2 h VAL 331 Cb 1.96 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 1uf2 h VAL 331 CO -0.57 0.18 0.24 0.28 0.02 0.00 0.00 177.57 177.72 1uf2 h SER 332 N -0.93 0.24 0.52 0.57 0.02 -0.23 0.17 113.55 113.91 1uf2 h SER 332 Ca -0.03 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1uf2 h SER 332 Cb 0.48 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1uf2 h SER 332 CO 0.04 0.14 -0.23 1.62 -1.14 0.00 0.00 176.83 177.27 1uf2 h VAL 333 N 0.42 0.78 0.00 2.27 3.04 -1.06 -3.27 116.25 118.42 1uf2 h VAL 333 Ca 0.32 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1uf2 h VAL 333 Cb 0.40 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1uf2 h VAL 333 CO -0.31 0.22 -0.64 -1.54 -1.01 0.00 0.00 177.57 174.29 1uf2 n SER 334 N -3.71 0.67 -4.82 3.17 3.41 -0.75 -5.00 113.62 106.60 1uf2 n SER 334 Ca -0.01 -0.75 -0.38 0.00 -0.26 0.00 0.00 58.87 57.47 1uf2 n SER 334 Cb 0.34 1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 65.27 1uf2 n SER 334 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uf2 s SER 335 N -2.25 7.03 0.15 4.04 0.01 0.52 -3.84 113.70 119.37 1uf2 s SER 335 Ca 0.04 1.26 0.23 0.00 1.31 0.00 0.00 55.95 58.79 1uf2 s SER 335 Cb 0.09 -2.36 0.13 0.00 0.21 0.00 0.00 66.02 64.10 1uf2 s SER 335 CO 0.51 0.22 1.14 0.59 0.41 0.00 0.00 173.24 176.11 1uf2 n ASN 336 N 1.44 0.76 -3.62 2.44 3.02 -1.26 -4.88 115.26 113.16 1uf2 n ASN 336 Ca -0.08 0.17 -0.01 0.00 -0.03 0.00 0.00 54.58 54.62 1uf2 n ASN 336 Cb 0.51 0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 40.03 1uf2 n ASN 336 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1uf2 s VAL 337 N -3.27 -0.79 0.00 2.41 -7.23 -1.26 -5.07 120.40 105.19 1uf2 s VAL 337 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1uf2 s VAL 337 Cb 0.12 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1uf2 s VAL 337 CO 0.77 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.91 1uf2 n THR 338 N 5.21 0.00 -2.76 5.32 -2.24 -1.26 -4.76 114.28 113.78 1uf2 n THR 338 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1uf2 n THR 338 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1uf2 n THR 338 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1uf2 s ASN 339 N 0.00 7.01 0.00 3.42 3.84 -1.26 -4.91 114.94 123.04 1uf2 s ASN 339 Ca 0.00 1.26 0.00 0.00 0.21 0.00 0.00 52.86 54.33 1uf2 s ASN 339 Cb 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1uf2 s ASN 339 CO 0.00 -0.57 0.93 -0.81 -2.79 0.00 0.00 177.10 173.87 1uf2 n PRO 340 N 5.98 0.00 0.08 0.43 -0.04 -1.26 -1.00 135.00 139.19 1uf2 n PRO 340 Ca 0.09 0.44 -0.08 0.00 -0.04 0.00 0.00 63.50 63.91 1uf2 n PRO 340 Cb 0.47 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1uf2 n PRO 340 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uf2 h ALA 341 N 1.89 0.58 0.00 0.55 0.00 -1.99 -2.67 119.26 117.63 1uf2 h ALA 341 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1uf2 h ALA 341 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1uf2 h ALA 341 CO 0.00 0.89 0.07 0.66 0.00 0.00 0.00 179.25 180.86 1uf2 h SER 342 N 0.12 0.00 -0.08 0.00 4.64 -1.48 0.24 113.55 117.00 1uf2 h SER 342 Ca -0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1uf2 h SER 342 Cb 1.43 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.53 1uf2 h SER 342 CO 0.13 0.00 -0.47 0.00 -0.87 0.00 0.00 176.83 175.62 1uf2 h ALA 343 N 1.84 0.16 -0.69 5.18 0.00 -1.63 -3.15 119.26 120.97 1uf2 h ALA 343 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1uf2 h ALA 343 Cb 0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1uf2 h ALA 343 CO 0.00 0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.95 1uf2 h LEU 345 N 0.95 0.91 -0.53 0.00 3.38 -1.40 -1.90 115.31 116.72 1uf2 h LEU 345 Ca 0.24 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 1uf2 h LEU 345 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1uf2 h LEU 345 CO -0.04 0.47 -0.46 0.58 0.09 0.00 0.00 178.44 179.08 1uf2 h VAL 346 N 0.97 1.30 0.00 1.22 2.07 -1.39 -3.09 116.25 117.32 1uf2 h VAL 346 Ca 0.50 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1uf2 h VAL 346 Cb 0.51 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1uf2 h VAL 346 CO -0.27 0.53 -0.06 -0.09 0.02 0.00 0.00 177.57 177.70 1uf2 h ARG 347 N 0.54 0.00 -6.36 1.57 2.43 -1.18 -3.45 114.38 107.93 1uf2 h ARG 347 Ca 0.03 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.61 1uf2 h ARG 347 Cb 1.00 0.00 0.16 0.00 -0.42 0.00 0.00 29.97 30.71 1uf2 h ARG 347 CO 0.09 0.06 -0.49 -1.33 -1.51 0.00 0.00 179.97 176.79 1uf2 n MET 348 N -3.69 0.49 -3.57 0.20 2.81 -1.12 -4.99 117.12 107.25 1uf2 n MET 348 Ca -0.02 0.18 -0.15 0.00 -1.81 0.00 0.00 57.70 55.90 1uf2 n MET 348 Cb 0.16 -1.52 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 1uf2 n MET 348 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1uf2 s ASN 349 N -1.04 -0.61 0.04 7.83 2.20 -1.26 -5.06 114.94 117.04 1uf2 s ASN 349 Ca 0.65 0.85 -0.25 0.00 -0.94 0.00 0.00 52.86 53.17 1uf2 s ASN 349 Cb -0.53 0.76 -0.17 0.00 -2.00 0.00 0.00 41.25 39.31 1uf2 s ASN 349 CO 0.58 -0.43 1.52 0.58 -2.94 0.00 0.00 177.10 176.41 1uf2 h VAL 350 N 3.22 1.06 -1.18 3.54 2.07 -1.98 -3.15 116.25 119.83 1uf2 h VAL 350 Ca -0.26 -0.45 0.34 0.00 0.82 0.00 0.00 66.70 67.15 1uf2 h VAL 350 Cb 1.15 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 1uf2 h VAL 350 CO 0.26 0.11 0.81 -0.61 0.02 0.00 0.00 177.57 178.17 1uf2 h GLN 351 N -0.29 0.14 -0.03 1.57 4.15 -2.01 -2.66 115.11 115.97 1uf2 h GLN 351 Ca -0.01 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1uf2 h GLN 351 Cb 0.25 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1uf2 h GLN 351 CO 0.02 0.10 -0.12 0.78 -1.93 0.00 0.00 178.83 177.67 1uf2 h GLY 352 N 0.15 0.15 -0.02 2.39 0.00 -1.95 -3.10 103.07 100.69 1uf2 h GLY 352 Ca 0.62 -0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.89 1uf2 h GLY 352 CO -0.16 0.18 0.14 -2.08 0.00 0.00 0.00 176.54 174.62 1uf2 h VAL 353 N -0.44 0.54 -0.05 4.60 2.07 -1.57 -1.46 116.25 119.93 1uf2 h VAL 353 Ca -0.01 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1uf2 h VAL 353 Cb 0.76 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1uf2 h VAL 353 CO 0.03 0.04 -0.18 -0.61 0.02 0.00 0.00 177.57 176.87 1uf2 h GLN 354 N 0.24 -0.18 -0.87 1.57 5.75 -1.57 0.03 115.11 120.09 1uf2 h GLN 354 Ca 0.38 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 59.02 1uf2 h GLN 354 Cb 0.62 0.04 -0.14 0.00 1.07 0.00 0.00 27.48 29.07 1uf2 h GLN 354 CO -0.49 -0.12 -0.40 1.15 -2.65 0.00 0.00 178.83 176.32 1uf2 h THR 355 N -0.19 0.05 -0.76 2.39 2.02 -1.26 0.12 112.91 115.28 1uf2 h THR 355 Ca 0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.27 1uf2 h THR 355 Cb 0.22 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.61 1uf2 h THR 355 CO -0.15 0.00 0.42 0.25 0.37 0.00 0.00 175.52 176.41 1uf2 h LEU 356 N -0.06 0.60 -0.12 2.58 5.85 -0.86 -1.22 115.31 122.09 1uf2 h LEU 356 Ca 0.29 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 1uf2 h LEU 356 Cb 0.57 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1uf2 h LEU 356 CO -0.89 0.36 0.05 0.00 -0.34 0.00 0.00 178.44 177.63 1uf2 h ALA 357 N 1.42 0.15 -0.76 1.25 0.00 0.12 -1.40 119.26 120.03 1uf2 h ALA 357 Ca 0.36 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1uf2 h ALA 357 Cb 0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1uf2 h ALA 357 CO -0.23 -0.28 0.38 0.28 0.00 0.00 0.00 179.25 179.40 1uf2 h VAL 358 N 0.06 0.80 0.30 0.00 2.07 -0.54 0.29 116.25 119.24 1uf2 h VAL 358 Ca 0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1uf2 h VAL 358 Cb 0.13 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1uf2 h VAL 358 CO -0.00 0.11 -0.35 0.15 0.02 0.00 0.00 177.57 177.50 1uf2 h PHE 359 N 0.61 -0.98 -0.87 1.57 3.57 -0.80 -0.50 116.94 119.54 1uf2 h PHE 359 Ca 0.39 0.01 0.23 0.00 3.53 0.00 0.00 57.97 62.13 1uf2 h PHE 359 Cb 0.47 0.39 -0.15 0.00 2.79 0.00 0.00 35.95 39.45 1uf2 h PHE 359 CO -0.11 -0.45 0.09 0.82 -2.23 0.00 0.00 178.31 176.43 1uf2 h ILE 360 N -0.66 0.23 0.42 1.41 2.04 -0.35 -0.43 117.51 120.16 1uf2 h ILE 360 Ca -0.04 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1uf2 h ILE 360 Cb 0.59 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1uf2 h ILE 360 CO -0.07 0.02 -0.43 0.00 0.00 0.00 0.00 178.15 177.68 1uf2 h ALA 361 N 1.82 -0.93 -0.03 1.87 0.00 0.35 -2.81 119.26 119.53 1uf2 h ALA 361 Ca 0.52 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1uf2 h ALA 361 Cb 1.02 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1uf2 h ALA 361 CO -0.74 -1.06 -0.22 -0.56 0.00 0.00 0.00 179.25 176.66 1uf2 h GLN 362 N -0.86 0.05 0.00 0.00 3.07 -0.05 -1.71 115.11 115.62 1uf2 h GLN 362 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1uf2 h GLN 362 Cb 0.76 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1uf2 h GLN 362 CO -0.07 0.28 0.00 0.43 0.09 0.00 0.00 178.83 179.55 1uf2 n SER 363 N -4.25 0.00 -0.04 0.06 7.64 -0.27 -1.55 113.62 115.21 1uf2 n SER 363 Ca -0.02 0.18 0.03 0.00 1.01 0.00 0.00 58.87 60.08 1uf2 n SER 363 Cb 0.29 -0.24 -0.15 0.00 -1.01 0.00 0.00 64.21 63.10 1uf2 n SER 363 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1uf2 n MET 364 N -1.24 0.73 -0.21 1.43 1.56 -0.64 -4.57 117.12 114.18 1uf2 n MET 364 Ca 0.02 -0.12 -0.08 0.00 -0.27 0.00 0.00 57.70 57.25 1uf2 n MET 364 Cb 0.03 -1.48 0.02 0.00 2.15 0.00 0.00 33.22 33.95 1uf2 n MET 364 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1uf2 h LEU 365 N 0.00 0.87 -6.23 -0.89 3.38 -1.38 0.13 115.31 111.19 1uf2 h LEU 365 Ca -0.17 -0.22 0.20 0.00 0.09 0.00 0.00 57.88 57.77 1uf2 h LEU 365 Cb 1.34 -0.23 -0.23 0.00 0.09 0.00 0.00 40.66 41.63 1uf2 h LEU 365 CO 0.01 0.86 0.16 0.21 0.09 0.00 0.00 178.44 179.77 1uf2 s ASN 366 N -6.23 -0.57 0.64 -0.43 3.84 -1.26 -1.62 114.94 109.31 1uf2 s ASN 366 Ca -0.13 0.56 0.34 0.00 0.21 0.00 0.00 52.86 53.85 1uf2 s ASN 366 Cb 0.13 1.56 1.88 0.00 -0.55 0.00 0.00 41.25 44.27 1uf2 s ASN 366 CO 0.81 -0.11 2.05 1.55 -2.79 0.00 0.00 177.10 178.62 1uf2 h PRO 367 N 7.72 0.00 -0.53 0.43 0.13 -1.82 -3.12 132.00 134.81 1uf2 h PRO 367 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1uf2 h PRO 367 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1uf2 h PRO 367 CO 0.02 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.88 1uf2 n ASN 368 N -2.90 4.11 -0.01 1.44 3.02 -1.26 -4.42 115.26 115.24 1uf2 n ASN 368 Ca -0.02 -2.37 0.07 0.00 -0.03 0.00 0.00 54.58 52.23 1uf2 n ASN 368 Cb 0.25 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.83 1uf2 n ASN 368 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1uf2 n ILE 369 N 0.80 0.00 -3.70 2.41 -5.35 -1.18 -4.83 119.36 107.52 1uf2 n ILE 369 Ca 0.22 -0.32 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 1uf2 n ILE 369 Cb 0.75 0.19 -0.06 0.00 -1.74 0.00 0.00 39.64 38.79 1uf2 n ILE 369 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1uf2 s SER 370 N -3.61 -0.15 0.21 7.28 1.04 -1.26 -1.23 113.70 115.98 1uf2 s SER 370 Ca -0.05 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 1uf2 s SER 370 Cb 0.09 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1uf2 s SER 370 CO 0.59 -0.78 0.25 -0.72 0.98 0.00 0.00 173.24 173.56 1uf2 s TYR 371 N -3.55 0.88 0.11 5.02 -0.85 -0.51 -4.79 117.35 113.66 1uf2 s TYR 371 Ca 0.02 -1.15 0.03 0.00 -0.52 0.00 0.00 57.07 55.44 1uf2 s TYR 371 Cb 0.02 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 1uf2 s TYR 371 CO -0.10 -0.75 -0.08 0.20 -1.52 0.00 0.00 175.55 173.30 1uf2 s GLY 372 N -3.11 0.87 -0.18 5.49 0.00 -0.20 -3.40 107.32 106.79 1uf2 s GLY 372 Ca 0.33 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1uf2 s GLY 372 CO 0.11 -1.50 -0.17 -0.29 0.00 0.00 0.00 173.10 171.25 1uf2 s MET 373 N -3.81 3.11 0.22 2.90 1.75 -0.85 -4.11 119.30 118.51 1uf2 s MET 373 Ca 0.14 -0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 53.50 1uf2 s MET 373 Cb 0.04 -2.64 -0.09 0.00 2.84 0.00 0.00 34.83 34.99 1uf2 s MET 373 CO -0.03 -0.14 1.14 0.42 -0.65 0.00 0.00 175.02 175.76 1uf2 s ILE 374 N 1.17 3.59 0.08 10.11 -1.09 -1.26 -1.32 121.20 132.48 1uf2 s ILE 374 Ca 0.02 1.44 0.04 0.00 -2.23 0.00 0.00 60.65 59.92 1uf2 s ILE 374 Cb -0.14 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1uf2 s ILE 374 CO -0.07 0.28 -0.01 -0.55 -1.23 0.00 0.00 174.94 173.35 1uf2 s SER 375 N -0.30 4.98 0.00 3.58 0.15 -0.84 -4.62 113.70 116.64 1uf2 s SER 375 Ca 0.49 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1uf2 s SER 375 Cb -0.32 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1uf2 s SER 375 CO 0.38 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.62 1uf2 n GLY 376 N 0.71 0.56 2.36 9.45 0.00 -1.26 -4.60 105.19 112.41 1uf2 n GLY 376 Ca -0.12 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1uf2 n GLY 376 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uf2 n LEU 377 N 0.00 7.22 -4.64 0.99 4.77 -1.26 -4.92 117.00 119.16 1uf2 n LEU 377 Ca 0.00 -4.23 -0.29 0.00 -0.03 0.00 0.00 56.01 51.46 1uf2 n LEU 377 Cb 0.30 -1.37 0.19 0.00 -2.33 0.00 0.00 43.42 40.20 1uf2 n LEU 377 CO 0.00 1.90 0.62 0.42 -1.33 0.00 0.00 177.39 179.00 1uf2 s THR 378 N -0.43 2.16 0.00 -5.08 -4.23 -1.26 -4.95 115.64 101.86 1uf2 s THR 378 Ca 0.61 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1uf2 s THR 378 Cb 0.27 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1uf2 s THR 378 CO -0.11 -0.07 0.16 -0.11 -0.54 0.00 0.00 174.62 173.95 1uf2 n LEU 379 N -4.29 0.00 -4.43 4.79 7.94 -1.26 -2.86 117.00 116.89 1uf2 n LEU 379 Ca 0.05 0.16 -0.44 0.00 -1.11 0.00 0.00 56.01 54.67 1uf2 n LEU 379 Cb 0.56 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.51 1uf2 n LEU 379 CO 0.57 0.00 1.20 1.51 -1.11 0.00 0.00 177.39 179.56 1uf2 s ASP 380 N -2.78 7.11 0.08 1.96 1.47 -1.26 -4.55 116.67 118.70 1uf2 s ASP 380 Ca 0.00 -3.09 0.22 0.00 1.18 0.00 0.00 52.55 50.86 1uf2 s ASP 380 Cb 0.00 -2.35 -0.17 0.00 -0.34 0.00 0.00 42.92 40.06 1uf2 s ASP 380 CO 0.00 -0.64 0.76 0.00 0.68 0.00 0.00 175.17 175.97 1uf2 n PHE 382 N -2.45 0.00 1.33 0.00 3.01 -1.26 -2.16 117.46 115.92 1uf2 n PHE 382 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 1uf2 n PHE 382 Cb 0.56 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 40.46 1uf2 n PHE 382 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1uf2 n SER 383 N -0.91 1.77 -4.17 4.37 7.64 -1.25 -4.40 113.62 116.66 1uf2 n SER 383 Ca 0.20 -1.62 -0.40 0.00 1.01 0.00 0.00 58.87 58.06 1uf2 n SER 383 Cb 0.09 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 1uf2 n SER 383 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1uf2 s ASN 384 N -1.87 5.71 0.32 6.43 3.84 -0.92 -4.74 114.94 123.72 1uf2 s ASN 384 Ca 0.36 -2.71 0.10 0.00 0.21 0.00 0.00 52.86 50.81 1uf2 s ASN 384 Cb 0.20 -1.97 0.89 0.00 -0.55 0.00 0.00 41.25 39.82 1uf2 s ASN 384 CO 0.31 -0.46 1.73 2.19 -2.79 0.00 0.00 177.10 178.09 1uf2 h PHE 385 N 7.39 1.00 0.23 0.43 -5.15 -1.85 -0.41 116.94 118.59 1uf2 h PHE 385 Ca -0.00 0.04 0.01 0.00 -0.20 0.00 0.00 57.97 57.81 1uf2 h PHE 385 Cb 0.99 -0.29 -0.03 0.00 0.22 0.00 0.00 35.95 36.84 1uf2 h PHE 385 CO 0.79 0.08 -0.31 0.82 -2.00 0.00 0.00 178.31 177.69 1uf2 h ILE 386 N 0.59 0.34 0.64 0.88 1.08 -1.94 0.12 117.51 119.21 1uf2 h ILE 386 Ca 0.64 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 65.08 1uf2 h ILE 386 Cb 1.22 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 1uf2 h ILE 386 CO -0.46 0.00 -0.49 0.22 -0.69 0.00 0.00 178.15 176.73 1uf2 h TYR 387 N -0.60 -1.33 -0.64 1.37 3.20 -1.51 -1.18 116.97 116.29 1uf2 h TYR 387 Ca 0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1uf2 h TYR 387 Cb 0.58 0.49 -0.10 0.00 1.54 0.00 0.00 36.73 39.25 1uf2 h TYR 387 CO -0.23 -0.69 -0.54 0.78 -1.64 0.00 0.00 178.16 175.84 1uf2 h GLY 388 N -1.08 -0.83 -0.01 1.82 0.00 -0.99 0.37 103.07 102.35 1uf2 h GLY 388 Ca -0.08 0.71 0.21 0.00 0.00 0.00 0.00 47.33 48.16 1uf2 h GLY 388 CO 0.02 -0.08 0.53 0.00 0.00 0.00 0.00 176.54 177.02 1uf2 h ALA 389 N 0.28 1.59 0.36 3.60 0.00 -0.68 0.33 119.26 124.73 1uf2 h ALA 389 Ca 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1uf2 h ALA 389 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uf2 h ALA 389 CO -0.73 -0.18 -0.17 0.00 0.00 0.00 0.00 179.25 178.16 1uf2 h LEU 391 N -0.94 0.46 -0.21 0.00 5.85 0.47 0.97 115.31 121.91 1uf2 h LEU 391 Ca -0.05 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1uf2 h LEU 391 Cb 0.53 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1uf2 h LEU 391 CO 0.08 0.10 0.10 -0.03 -0.34 0.00 0.00 178.44 178.35 1uf2 h MET 392 N 0.51 0.31 -0.66 1.25 4.05 -0.36 -1.39 114.93 118.64 1uf2 h MET 392 Ca 0.54 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.84 1uf2 h MET 392 Cb 0.94 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.66 1uf2 h MET 392 CO -0.46 0.33 0.11 -0.07 0.23 0.00 0.00 176.91 177.06 1uf2 h LEU 393 N 0.21 1.04 -1.16 3.39 3.38 0.39 -2.52 115.31 120.03 1uf2 h LEU 393 Ca 0.07 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 57.92 1uf2 h LEU 393 Cb 0.13 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.53 1uf2 h LEU 393 CO -0.01 1.03 0.60 0.15 0.09 0.00 0.00 178.44 180.30 1uf2 h PHE 394 N 1.01 0.96 -0.00 1.13 3.57 0.12 -0.88 116.94 122.84 1uf2 h PHE 394 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1uf2 h PHE 394 Cb 0.43 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1uf2 h PHE 394 CO 0.03 0.36 0.00 1.96 -2.23 0.00 0.00 178.31 178.43 1uf2 h GLN 395 N 0.82 0.00 0.00 1.11 4.20 -0.80 -1.84 115.11 118.60 1uf2 h GLN 395 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1uf2 h GLN 395 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1uf2 h GLN 395 CO -0.24 0.00 -0.46 0.00 -0.67 0.00 0.00 178.83 177.46 1uf2 n ALA 396 N -2.20 2.85 0.41 3.87 0.00 -0.34 -0.65 120.51 124.46 1uf2 n ALA 396 Ca -0.03 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.31 1uf2 n ALA 396 Cb 0.08 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1uf2 n ALA 396 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uf2 n LEU 397 N -2.03 0.57 -4.45 0.00 4.77 -0.70 -4.29 117.00 110.86 1uf2 n LEU 397 Ca 0.04 0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.77 1uf2 n LEU 397 Cb 0.42 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1uf2 n LEU 397 CO 0.35 0.01 -0.51 0.27 -1.33 0.00 0.00 177.39 176.17 1uf2 s ILE 398 N -3.27 2.56 0.59 -0.08 -4.36 -1.20 -4.96 121.20 110.47 1uf2 s ILE 398 Ca 0.01 -1.82 -0.04 0.00 -0.26 0.00 0.00 60.65 58.54 1uf2 s ILE 398 Cb 0.14 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.66 1uf2 s ILE 398 CO 0.82 -0.03 0.88 -2.16 0.24 0.00 0.00 174.94 174.68 1uf2 s PRO 399 N -2.48 2.78 0.44 0.37 0.04 -1.26 -2.75 135.00 132.14 1uf2 s PRO 399 Ca 0.19 -0.19 0.10 0.00 0.04 0.00 0.00 61.00 61.15 1uf2 s PRO 399 Cb -0.09 -2.31 0.98 0.00 0.04 0.00 0.00 34.50 33.12 1uf2 s PRO 399 CO 0.10 -0.73 2.07 -1.35 0.04 0.00 0.00 177.00 177.12 1uf2 h PRO 400 N -0.15 0.39 0.00 0.56 0.11 -1.87 -1.65 132.00 129.38 1uf2 h PRO 400 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1uf2 h PRO 400 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uf2 h PRO 400 CO 0.59 0.26 0.23 0.66 -0.21 0.00 0.00 178.00 179.53 1uf2 h SER 401 N 0.40 0.00 0.76 -2.05 4.64 -1.92 -2.11 113.55 113.28 1uf2 h SER 401 Ca 0.13 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1uf2 h SER 401 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1uf2 h SER 401 CO -0.03 0.00 -0.60 0.00 -0.87 0.00 0.00 176.83 175.33 1uf2 h ALA 402 N 1.47 0.89 -2.02 5.18 0.00 -1.60 -3.45 119.26 119.73 1uf2 h ALA 402 Ca 0.00 -0.55 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 1uf2 h ALA 402 Cb 0.46 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1uf2 h ALA 402 CO 0.00 0.75 -0.62 -0.51 0.00 0.00 0.00 179.25 178.87 1uf2 s LEU 403 N -7.31 3.07 0.50 0.00 1.43 -0.79 -1.04 118.68 114.55 1uf2 s LEU 403 Ca -0.00 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 1uf2 s LEU 403 Cb 0.12 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.76 1uf2 s LEU 403 CO 0.75 -0.16 1.38 -0.89 0.23 0.00 0.00 176.35 177.66 1uf2 s THR 404 N -2.44 2.13 0.58 5.49 2.01 -1.26 -4.84 115.64 117.31 1uf2 s THR 404 Ca 0.34 0.11 0.27 0.00 0.31 0.00 0.00 61.69 62.72 1uf2 s THR 404 Cb -0.03 -3.06 0.35 0.00 0.01 0.00 0.00 72.50 69.78 1uf2 s THR 404 CO 0.20 0.01 2.14 0.00 -0.69 0.00 0.00 174.62 176.28 1uf2 h ALA 405 N 1.85 1.79 0.21 7.40 0.00 -1.97 -2.32 119.26 126.22 1uf2 h ALA 405 Ca -0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1uf2 h ALA 405 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1uf2 h ALA 405 CO 0.59 -0.20 -0.10 -0.09 0.00 0.00 0.00 179.25 179.45 1uf2 h ARG 406 N 0.00 -0.27 -0.89 0.00 2.43 -1.99 -3.22 114.38 110.44 1uf2 h ARG 406 Ca 0.06 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.37 1uf2 h ARG 406 Cb 0.33 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 1uf2 h ARG 406 CO -0.00 0.02 0.57 1.96 -1.51 0.00 0.00 179.97 181.02 1uf2 h GLN 407 N -0.99 0.78 -0.35 0.20 4.20 -1.82 0.22 115.11 117.34 1uf2 h GLN 407 Ca -0.03 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1uf2 h GLN 407 Cb 0.42 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1uf2 h GLN 407 CO 0.05 0.51 0.24 0.00 -0.67 0.00 0.00 178.83 178.96 1uf2 h ARG 408 N 0.80 0.41 -0.01 1.46 3.08 -1.54 0.31 114.38 118.88 1uf2 h ARG 408 Ca 0.43 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 1uf2 h ARG 408 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1uf2 h ARG 408 CO -0.19 0.27 -0.03 1.25 -1.07 0.00 0.00 179.97 180.20 1uf2 h LEU 409 N 0.42 0.04 0.06 3.04 6.46 -0.75 -2.88 115.31 121.70 1uf2 h LEU 409 Ca 0.14 -0.65 0.02 0.00 -0.12 0.00 0.00 57.88 57.27 1uf2 h LEU 409 Cb 0.04 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 1uf2 h LEU 409 CO -0.03 0.68 -0.44 0.44 -0.62 0.00 0.00 178.44 178.47 1uf2 h ASP 410 N -0.60 -1.34 -0.85 1.25 3.32 0.90 -1.79 116.42 117.32 1uf2 h ASP 410 Ca -0.00 0.15 0.17 0.00 0.02 0.00 0.00 57.03 57.37 1uf2 h ASP 410 Cb 0.68 0.51 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1uf2 h ASP 410 CO 0.01 -0.49 -0.22 0.40 -1.72 0.00 0.00 179.24 177.21 1uf2 h ILE 411 N -0.64 0.14 -0.85 0.35 2.04 -0.53 0.79 117.51 118.81 1uf2 h ILE 411 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1uf2 h ILE 411 Cb 0.69 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1uf2 h ILE 411 CO -0.29 0.00 0.47 0.78 0.00 0.00 0.00 178.15 179.11 1uf2 h ASN 412 N -0.00 0.63 0.00 1.72 4.21 -1.11 -1.19 115.58 119.84 1uf2 h ASN 412 Ca 0.40 0.07 -0.12 0.00 1.21 0.00 0.00 56.30 57.87 1uf2 h ASN 412 Cb 0.62 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1uf2 h ASN 412 CO -0.88 0.32 -0.35 0.78 -1.29 0.00 0.00 177.43 176.01 1uf2 h ASN 413 N 0.73 0.50 -0.05 5.81 2.35 0.11 -0.78 115.58 124.25 1uf2 h ASN 413 Ca 0.43 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1uf2 h ASN 413 Cb 0.50 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1uf2 h ASN 413 CO -0.30 0.81 -0.30 0.03 -1.65 0.00 0.00 177.43 176.02 1uf2 h ARG 414 N 0.41 0.52 -0.37 0.81 2.47 -0.13 0.90 114.38 118.99 1uf2 h ARG 414 Ca 0.04 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.48 1uf2 h ARG 414 Cb 0.81 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 1uf2 h ARG 414 CO 0.07 0.76 -0.03 0.35 0.56 0.00 0.00 179.97 181.68 1uf2 h PHE 415 N 0.45 0.74 -0.02 3.04 3.57 -0.98 -1.20 116.94 122.53 1uf2 h PHE 415 Ca 0.06 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.44 1uf2 h PHE 415 Cb 0.75 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1uf2 h PHE 415 CO 0.03 0.79 -0.09 0.00 -2.23 0.00 0.00 178.31 176.80 1uf2 h ALA 416 N 0.85 -0.08 -0.34 2.41 0.00 -0.62 0.14 119.26 121.62 1uf2 h ALA 416 Ca 0.10 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1uf2 h ALA 416 Cb 0.51 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1uf2 h ALA 416 CO 0.02 -0.58 -0.06 -0.92 0.00 0.00 0.00 179.25 177.72 1uf2 h TYR 417 N -0.15 -0.13 -0.43 0.00 3.20 -0.67 -0.04 116.97 118.76 1uf2 h TYR 417 Ca 0.04 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1uf2 h TYR 417 Cb 0.20 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 1uf2 h TYR 417 CO -0.16 -0.12 0.03 0.35 -1.64 0.00 0.00 178.16 176.62 1uf2 h PHE 418 N 0.03 0.03 0.34 -3.82 3.57 -0.45 0.34 116.94 116.98 1uf2 h PHE 418 Ca 0.17 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1uf2 h PHE 418 Cb 0.25 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1uf2 h PHE 418 CO -0.29 -0.06 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.33 1uf2 h LEU 419 N 0.15 -0.89 -0.91 0.59 3.38 0.55 0.22 115.31 118.38 1uf2 h LEU 419 Ca 0.21 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.29 1uf2 h LEU 419 Cb 0.29 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1uf2 h LEU 419 CO -0.33 -0.47 0.59 0.40 0.09 0.00 0.00 178.44 178.73 1uf2 h ILE 420 N -0.69 1.16 0.00 1.22 1.08 -0.49 0.69 117.51 120.48 1uf2 h ILE 420 Ca -0.02 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1uf2 h ILE 420 Cb 0.63 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1uf2 h ILE 420 CO -0.06 0.21 -0.02 0.50 -0.69 0.00 0.00 178.15 178.09 1uf2 h LYS 421 N 1.16 0.00 0.00 2.37 3.64 -0.08 -3.33 116.57 120.33 1uf2 h LYS 421 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1uf2 h LYS 421 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1uf2 h LYS 421 CO -0.11 0.00 -0.55 0.00 -2.27 0.00 0.00 179.45 176.51 1uf2 n HIS 423 N -0.89 0.00 -5.11 0.00 8.25 0.24 -1.42 115.22 116.29 1uf2 n HIS 423 Ca 0.00 -0.68 -0.29 0.00 -0.26 0.00 0.00 57.72 56.49 1uf2 n HIS 423 Cb 0.04 -0.12 -0.16 0.00 1.12 0.00 0.00 29.99 30.87 1uf2 n HIS 423 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uf2 s ALA 424 N -1.95 1.90 0.63 -1.41 0.00 -1.07 -4.71 121.76 115.15 1uf2 s ALA 424 Ca 0.22 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 1uf2 s ALA 424 Cb 0.19 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1uf2 s ALA 424 CO 0.02 0.41 1.14 0.95 0.00 0.00 0.00 175.76 178.28 1uf2 s THR 425 N -0.29 3.04 0.64 0.00 -4.23 -1.26 -4.82 115.64 108.71 1uf2 s THR 425 Ca 0.02 0.55 0.30 0.00 -1.18 0.00 0.00 61.69 61.38 1uf2 s THR 425 Cb -0.11 -3.12 0.33 0.00 1.34 0.00 0.00 72.50 70.95 1uf2 s THR 425 CO 0.01 -0.23 1.95 -0.61 -0.54 0.00 0.00 174.62 175.20 1uf2 h GLN 426 N 0.43 0.00 0.02 3.99 4.15 -1.99 -1.57 115.11 120.15 1uf2 h GLN 426 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 1uf2 h GLN 426 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1uf2 h GLN 426 CO 0.54 0.00 -0.01 0.00 -1.93 0.00 0.00 178.83 177.44 1uf2 h ALA 427 N 1.44 -0.03 -0.82 3.38 0.00 -2.00 -2.84 119.26 118.40 1uf2 h ALA 427 Ca 0.07 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1uf2 h ALA 427 Cb 0.77 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1uf2 h ALA 427 CO -0.00 -0.06 0.48 1.15 0.00 0.00 0.00 179.25 180.83 1uf2 h THR 428 N -0.94 0.95 0.93 0.00 2.02 -1.67 -1.67 112.91 112.54 1uf2 h THR 428 Ca -0.00 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 1uf2 h THR 428 Cb 0.73 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1uf2 h THR 428 CO 0.00 0.15 -0.45 0.74 0.37 0.00 0.00 175.52 176.34 1uf2 h THR 429 N 0.84 0.00 -0.83 3.16 2.02 -1.50 -2.34 112.91 114.26 1uf2 h THR 429 Ca 0.38 -0.02 0.20 0.00 0.77 0.00 0.00 66.41 67.75 1uf2 h THR 429 Cb 0.29 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.56 1uf2 h THR 429 CO -0.22 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.71 1uf2 h ALA 430 N -1.41 0.93 -0.11 6.16 0.00 -1.22 0.11 119.26 123.72 1uf2 h ALA 430 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1uf2 h ALA 430 Cb 0.96 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1uf2 h ALA 430 CO 0.21 -0.45 0.07 -0.09 0.00 0.00 0.00 179.25 178.99 1uf2 h ARG 431 N 0.10 0.15 -0.39 0.00 2.43 -1.23 0.34 114.38 115.78 1uf2 h ARG 431 Ca 0.47 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.59 1uf2 h ARG 431 Cb 0.88 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1uf2 h ARG 431 CO -0.73 0.11 0.08 -0.07 -1.51 0.00 0.00 179.97 177.85 1uf2 h LEU 432 N 0.14 0.54 -0.26 3.80 3.38 -0.50 -0.92 115.31 121.48 1uf2 h LEU 432 Ca 0.04 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1uf2 h LEU 432 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1uf2 h LEU 432 CO -0.01 0.55 -0.18 0.58 0.09 0.00 0.00 178.44 179.47 1uf2 h VAL 433 N 0.57 1.31 -0.17 1.22 2.07 -0.47 -2.01 116.25 118.76 1uf2 h VAL 433 Ca 0.13 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1uf2 h VAL 433 Cb 0.25 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1uf2 h VAL 433 CO -0.00 0.41 0.10 0.00 0.02 0.00 0.00 177.57 178.10 1uf2 h ALA 434 N 0.71 0.20 0.00 1.67 0.00 -0.48 -2.44 119.26 118.92 1uf2 h ALA 434 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uf2 h ALA 434 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1uf2 h ALA 434 CO 0.05 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.06 1uf2 n ASN 435 N -4.99 0.47 -3.61 0.00 5.03 -0.39 -4.89 115.26 106.87 1uf2 n ASN 435 Ca -0.04 -1.92 -0.28 0.00 0.87 0.00 0.00 54.58 53.21 1uf2 n ASN 435 Cb 0.04 -0.23 0.04 0.00 -1.02 0.00 0.00 39.78 38.61 1uf2 n ASN 435 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1uf2 n GLN 436 N -0.25 -1.33 -0.01 3.52 6.02 -0.92 -4.90 117.38 119.51 1uf2 n GLN 436 Ca 0.00 0.56 -0.02 0.00 -0.01 0.00 0.00 57.00 57.54 1uf2 n GLN 436 Cb 0.12 -4.29 -0.01 0.00 1.02 0.00 0.00 30.24 27.08 1uf2 n GLN 436 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1uf2 n VAL 437 N -3.90 0.11 -4.15 5.09 0.31 -0.77 -5.01 118.33 110.01 1uf2 n VAL 437 Ca -0.09 -0.03 -0.33 0.00 -0.01 0.00 0.00 64.34 63.88 1uf2 n VAL 437 Cb 0.59 -1.11 -0.08 0.00 -0.91 0.00 0.00 33.84 32.33 1uf2 n VAL 437 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1uf2 s ILE 438 N -2.04 4.53 0.31 2.52 1.09 -1.14 -4.89 121.20 121.58 1uf2 s ILE 438 Ca -0.03 -0.50 -0.19 0.00 -1.10 0.00 0.00 60.65 58.84 1uf2 s ILE 438 Cb 0.01 -3.06 -0.09 0.00 -1.06 0.00 0.00 42.46 38.25 1uf2 s ILE 438 CO 0.04 0.34 0.79 -0.31 -0.10 0.00 0.00 174.94 175.70 1uf2 s TYR 439 N -1.18 3.48 0.11 3.97 1.51 -1.26 -4.48 117.35 119.50 1uf2 s TYR 439 Ca 0.22 1.39 -0.34 0.00 -1.01 0.00 0.00 57.07 57.34 1uf2 s TYR 439 Cb -0.12 -2.65 -0.18 0.00 -0.11 0.00 0.00 41.96 38.90 1uf2 s TYR 439 CO 0.13 0.14 0.89 -2.30 -1.11 0.00 0.00 175.55 173.30 1uf2 n PRO 440 N 0.01 0.24 -0.15 -1.71 -0.02 -1.26 -4.74 135.00 127.38 1uf2 n PRO 440 Ca 0.02 0.09 0.28 0.00 -2.02 0.00 0.00 63.50 61.87 1uf2 n PRO 440 Cb 0.52 -1.40 0.71 0.00 -0.02 0.00 0.00 33.50 33.31 1uf2 n PRO 440 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1uf2 h VAL 441 N 2.19 0.37 -0.48 -1.45 2.07 -1.99 0.32 116.25 117.28 1uf2 h VAL 441 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1uf2 h VAL 441 Cb 1.42 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1uf2 h VAL 441 CO 0.63 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.32 1uf2 n ASP 442 N -3.92 4.32 -2.56 0.57 3.85 -1.26 -4.50 116.55 113.05 1uf2 n ASP 442 Ca 0.18 -2.55 -0.35 0.00 -0.71 0.00 0.00 54.79 51.36 1uf2 n ASP 442 Cb 1.03 -0.58 0.04 0.00 -1.35 0.00 0.00 41.12 40.26 1uf2 n ASP 442 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1uf2 n ALA 443 N 0.66 6.33 0.00 2.12 0.00 0.10 -4.88 120.51 124.85 1uf2 n ALA 443 Ca 0.21 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1uf2 n ALA 443 Cb 0.87 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1uf2 n ALA 443 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1uf2 n ILE 444 N -0.44 0.00 0.01 0.00 -0.00 -1.26 0.91 119.36 118.58 1uf2 n ILE 444 Ca 0.55 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 63.18 1uf2 n ILE 444 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.04 1uf2 n ILE 444 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 1uf2 h ASP 445 N 0.00 0.08 -0.13 4.38 2.03 -1.98 -2.71 116.42 118.10 1uf2 h ASP 445 Ca 0.00 -0.02 0.04 0.00 -0.73 0.00 0.00 57.03 56.32 1uf2 h ASP 445 Cb 0.00 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.47 1uf2 h ASP 445 CO 0.00 0.08 0.10 1.56 -1.03 0.00 0.00 179.24 179.95 1uf2 h GLN 446 N 0.08 0.00 0.00 4.15 4.20 0.12 0.71 115.11 124.37 1uf2 h GLN 446 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1uf2 h GLN 446 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1uf2 h GLN 446 CO -0.01 0.00 0.00 0.91 -0.67 0.00 0.00 178.83 179.06 1uf2 n TRP 447 N -4.29 0.08 0.68 2.96 7.02 -1.03 -3.32 117.44 119.53 1uf2 n TRP 447 Ca 0.00 0.02 0.08 0.00 -1.02 0.00 0.00 57.50 56.58 1uf2 n TRP 447 Cb 0.22 -0.54 0.02 0.00 -2.42 0.00 0.00 31.31 28.59 1uf2 n TRP 447 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1uf2 n GLN 448 N -1.57 1.58 -1.47 -0.99 6.02 0.21 -4.90 117.38 116.27 1uf2 n GLN 448 Ca 0.07 -0.99 -0.28 0.00 -0.01 0.00 0.00 57.00 55.79 1uf2 n GLN 448 Cb 0.33 -1.27 0.21 0.00 1.02 0.00 0.00 30.24 30.53 1uf2 n GLN 448 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1uf2 n SER 449 N 0.17 -0.73 -1.43 1.08 3.41 -1.03 -5.09 113.62 110.00 1uf2 n SER 449 Ca 0.07 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1uf2 n SER 449 Cb 0.35 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1uf2 n SER 449 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1uf2 n ASN 450 N -4.18 1.02 0.00 4.04 0.23 -1.26 -4.87 115.26 110.24 1uf2 n ASN 450 Ca 0.15 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 1uf2 n ASN 450 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 1uf2 n ASN 450 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uf2 n GLY 451 N 2.54 0.75 2.89 4.83 0.00 -1.26 -5.03 105.19 109.91 1uf2 n GLY 451 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1uf2 n GLY 451 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uf2 s ARG 452 N -0.61 0.23 -1.11 1.61 0.52 -1.26 -5.04 118.95 113.29 1uf2 s ARG 452 Ca 0.00 0.48 -0.19 0.00 -0.52 0.00 0.00 55.73 55.50 1uf2 s ARG 452 Cb 0.00 -0.62 -0.06 0.00 0.52 0.00 0.00 34.95 34.79 1uf2 s ARG 452 CO 0.00 -0.54 2.03 -3.47 0.02 0.00 0.00 175.30 173.34 1uf2 n ASP 453 N 5.34 3.26 -0.39 0.23 -0.08 -1.26 -4.73 116.55 118.93 1uf2 n ASP 453 Ca -0.05 -2.76 0.36 0.00 -1.51 0.00 0.00 54.79 50.82 1uf2 n ASP 453 Cb 0.50 -1.42 0.71 0.00 2.34 0.00 0.00 41.12 43.24 1uf2 n ASP 453 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1uf2 h VAL 454 N 4.50 0.34 0.65 5.18 2.07 -1.92 0.18 116.25 127.25 1uf2 h VAL 454 Ca 0.47 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.93 1uf2 h VAL 454 Cb 0.69 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1uf2 h VAL 454 CO 1.84 0.02 -0.35 0.25 0.02 0.00 0.00 177.57 179.35 1uf2 h LEU 455 N 0.08 -0.84 -1.06 2.57 6.46 -1.85 -1.24 115.31 119.44 1uf2 h LEU 455 Ca 0.65 0.04 0.23 0.00 -0.12 0.00 0.00 57.88 58.68 1uf2 h LEU 455 Cb 2.38 0.23 -0.12 0.00 -0.73 0.00 0.00 40.66 42.42 1uf2 h LEU 455 CO -0.11 -0.57 0.61 0.58 -0.62 0.00 0.00 178.44 178.33 1uf2 h VAL 456 N -0.92 0.58 0.43 1.05 2.07 -1.03 -0.28 116.25 118.16 1uf2 h VAL 456 Ca -0.08 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1uf2 h VAL 456 Cb 0.72 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1uf2 h VAL 456 CO 0.12 0.11 -0.21 0.00 0.02 0.00 0.00 177.57 177.61 1uf2 h ALA 457 N 1.69 -0.58 0.04 1.67 0.00 -0.94 0.12 119.26 121.26 1uf2 h ALA 457 Ca 0.62 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.41 1uf2 h ALA 457 Cb 1.18 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1uf2 h ALA 457 CO -0.42 -0.79 -0.31 0.82 0.00 0.00 0.00 179.25 178.55 1uf2 h ILE 458 N -0.65 0.33 -0.69 0.00 2.04 -0.07 -0.33 117.51 118.13 1uf2 h ILE 458 Ca -0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.95 1uf2 h ILE 458 Cb 0.48 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.78 1uf2 h ILE 458 CO 0.10 0.00 0.08 0.22 0.00 0.00 0.00 178.15 178.55 1uf2 h TYR 459 N -0.48 0.10 0.00 1.37 3.20 -0.98 0.14 116.97 120.32 1uf2 h TYR 459 Ca 0.05 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1uf2 h TYR 459 Cb 0.55 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1uf2 h TYR 459 CO -0.32 -0.14 0.00 -0.91 -1.64 0.00 0.00 178.16 175.15 1uf2 h ASN 460 N 0.18 0.00 -0.17 -2.11 2.35 0.23 -3.21 115.58 112.85 1uf2 h ASN 460 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1uf2 h ASN 460 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1uf2 h ASN 460 CO -0.54 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 175.83 1uf2 n ASN 461 N -2.83 2.86 -4.82 5.81 3.02 0.40 -5.01 115.26 114.69 1uf2 n ASN 461 Ca 0.01 -2.51 -0.32 0.00 -0.03 0.00 0.00 54.58 51.72 1uf2 n ASN 461 Cb 0.28 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1uf2 n ASN 461 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1uf2 s LEU 462 N -1.90 3.51 0.27 3.41 1.43 -0.63 -5.03 118.68 119.73 1uf2 s LEU 462 Ca 0.25 1.69 -0.04 0.00 -1.03 0.00 0.00 54.13 55.00 1uf2 s LEU 462 Cb 0.19 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1uf2 s LEU 462 CO 0.08 -0.95 0.52 -0.76 0.23 0.00 0.00 176.35 175.46 1uf2 s LEU 463 N -4.43 4.10 0.65 1.79 1.43 -1.26 -4.96 118.68 116.00 1uf2 s LEU 463 Ca 0.61 0.66 0.32 0.00 -1.03 0.00 0.00 54.13 54.69 1uf2 s LEU 463 Cb -0.13 -3.46 1.76 0.00 0.03 0.00 0.00 46.19 44.38 1uf2 s LEU 463 CO 0.37 -0.15 2.02 1.55 0.23 0.00 0.00 176.35 180.36 1uf2 h PRO 464 N 1.81 0.00 0.00 1.29 0.13 -2.02 -1.72 132.00 131.50 1uf2 h PRO 464 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 1uf2 h PRO 464 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1uf2 h PRO 464 CO 0.67 0.00 -1.12 0.78 -0.23 0.00 0.00 178.00 178.09 1uf2 h GLY 465 N 0.00 0.00 -5.49 1.56 0.00 -2.04 -3.40 103.07 93.71 1uf2 h GLY 465 Ca 0.03 -0.01 -0.38 0.00 0.00 0.00 0.00 47.33 46.97 1uf2 h GLY 465 CO -0.00 0.00 2.58 1.18 0.00 0.00 0.00 176.54 180.30 1uf2 n GLU 466 N -3.30 2.03 -0.24 4.80 1.02 -0.65 -4.74 120.64 119.56 1uf2 n GLU 466 Ca -0.03 -1.46 0.05 0.00 -0.02 0.00 0.00 57.16 55.70 1uf2 n GLU 466 Cb 0.96 -2.46 0.17 0.00 -0.02 0.00 0.00 31.44 30.09 1uf2 n GLU 466 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1uf2 h LEU 467 N 8.57 0.13 0.84 -4.62 3.38 -1.83 -2.29 115.31 119.49 1uf2 h LEU 467 Ca 0.48 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.54 1uf2 h LEU 467 Cb 0.18 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1uf2 h LEU 467 CO 1.46 0.03 -0.40 0.58 0.09 0.00 0.00 178.44 180.20 1uf2 h VAL 468 N 0.34 0.09 -0.54 1.22 2.07 -1.97 -0.88 116.25 116.58 1uf2 h VAL 468 Ca 0.40 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.91 1uf2 h VAL 468 Cb 0.63 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1uf2 h VAL 468 CO -0.44 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 176.94 1uf2 h LEU 469 N -1.23 -0.51 -0.40 2.57 3.38 -1.82 0.07 115.31 117.36 1uf2 h LEU 469 Ca -0.12 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1uf2 h LEU 469 Cb 0.87 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 1uf2 h LEU 469 CO 0.19 -0.18 -0.18 0.74 0.09 0.00 0.00 178.44 179.09 1uf2 h THR 470 N -0.01 0.44 0.41 0.22 2.02 -1.30 -0.90 112.91 113.80 1uf2 h THR 470 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1uf2 h THR 470 Cb 0.40 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1uf2 h THR 470 CO -0.56 0.00 -0.39 -1.13 0.37 0.00 0.00 175.52 173.81 1uf2 h ASN 471 N -0.11 -1.06 -0.41 4.18 -1.24 0.44 0.36 115.58 117.73 1uf2 h ASN 471 Ca 0.19 0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.34 1uf2 h ASN 471 Cb 0.41 0.35 -0.07 0.00 0.73 0.00 0.00 38.32 39.74 1uf2 h ASN 471 CO -0.47 -0.55 -0.46 -0.07 -1.29 0.00 0.00 177.43 174.59 1uf2 h LEU 472 N -0.82 -1.57 -0.21 0.34 -0.00 -0.69 0.24 115.31 112.61 1uf2 h LEU 472 Ca -0.03 0.21 0.04 0.00 -0.00 0.00 0.00 57.88 58.09 1uf2 h LEU 472 Cb 0.72 0.65 -0.04 0.00 -0.00 0.00 0.00 40.66 42.00 1uf2 h LEU 472 CO -0.06 -0.31 -0.02 0.40 -0.00 0.00 0.00 178.44 178.46 1uf2 h ILE 473 N -0.27 0.83 -0.11 1.22 2.04 -1.08 -1.06 117.51 119.08 1uf2 h ILE 473 Ca 0.07 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1uf2 h ILE 473 Cb 0.46 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1uf2 h ILE 473 CO -0.53 0.01 -0.09 -0.61 0.00 0.00 0.00 178.15 176.92 1uf2 h GLN 474 N 0.04 -0.10 -0.74 2.37 4.15 -0.32 -0.68 115.11 119.83 1uf2 h GLN 474 Ca 0.10 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.58 1uf2 h GLN 474 Cb 0.13 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 1uf2 h GLN 474 CO -0.18 -0.07 0.44 1.15 -1.93 0.00 0.00 178.83 178.24 1uf2 h THR 475 N -0.10 1.01 -0.44 2.39 2.02 -0.29 -1.04 112.91 116.45 1uf2 h THR 475 Ca 0.07 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 67.03 1uf2 h THR 475 Cb 0.21 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.70 1uf2 h THR 475 CO -0.17 0.15 0.16 0.22 0.37 0.00 0.00 175.52 176.24 1uf2 h TYR 476 N 0.81 0.28 -0.06 3.16 3.20 -0.47 -0.74 116.97 123.14 1uf2 h TYR 476 Ca 0.33 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1uf2 h TYR 476 Cb 0.17 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1uf2 h TYR 476 CO -0.06 0.10 0.00 1.19 -1.64 0.00 0.00 178.16 177.75 1uf2 n PHE 477 N -5.01 0.20 -4.01 -3.82 0.99 -0.33 -4.28 117.46 101.20 1uf2 n PHE 477 Ca 0.03 -0.07 -0.26 0.00 -0.00 0.00 0.00 57.45 57.15 1uf2 n PHE 477 Cb 0.17 -0.12 -0.03 0.00 -1.00 0.00 0.00 39.48 38.49 1uf2 n PHE 477 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1uf2 n ARG 478 N 0.02 -2.95 0.00 -1.08 3.00 -0.29 -2.17 116.66 113.19 1uf2 n ARG 478 Ca 0.03 0.36 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 1uf2 n ARG 478 Cb 0.31 -4.40 0.00 0.00 0.00 0.00 0.00 32.46 28.37 1uf2 n ARG 478 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uf2 n GLY 479 N -2.07 2.81 3.62 5.14 0.00 -0.72 -5.01 105.19 108.96 1uf2 n GLY 479 Ca -0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1uf2 n GLY 479 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uf2 n ASN 480 N 0.48 1.22 -4.92 1.61 3.02 -0.92 -4.95 115.26 110.80 1uf2 n ASN 480 Ca 0.00 0.94 -0.27 0.00 -0.03 0.00 0.00 54.58 55.23 1uf2 n ASN 480 Cb 0.00 -1.39 0.03 0.00 -0.61 0.00 0.00 39.78 37.82 1uf2 n ASN 480 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1uf2 s THR 481 N -1.37 3.56 0.48 3.41 -4.23 -1.26 -4.77 115.64 111.45 1uf2 s THR 481 Ca 0.68 -0.01 0.28 0.00 -1.18 0.00 0.00 61.69 61.46 1uf2 s THR 481 Cb -0.49 -3.42 0.47 0.00 1.34 0.00 0.00 72.50 70.40 1uf2 s THR 481 CO 0.53 -0.44 1.82 0.00 -0.54 0.00 0.00 174.62 175.99 1uf2 h ALA 482 N -0.21 2.68 0.36 3.99 0.00 -1.92 0.23 119.26 124.40 1uf2 h ALA 482 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1uf2 h ALA 482 Cb 1.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1uf2 h ALA 482 CO 0.61 -1.02 -0.17 0.37 0.00 0.00 0.00 179.25 179.03 1uf2 h GLN 483 N 0.16 -0.47 -0.41 0.00 5.75 -1.94 -3.21 115.11 115.00 1uf2 h GLN 483 Ca 0.53 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 59.18 1uf2 h GLN 483 Cb 1.78 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 30.42 1uf2 h GLN 483 CO -0.12 -0.23 0.30 1.96 -2.65 0.00 0.00 178.83 178.09 1uf2 h GLN 484 N -1.08 0.00 -0.33 1.69 4.20 -1.58 -1.69 115.11 116.32 1uf2 h GLN 484 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1uf2 h GLN 484 Cb 0.45 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1uf2 h GLN 484 CO 0.08 0.00 0.18 0.00 -0.67 0.00 0.00 178.83 178.42 1uf2 h ALA 485 N 1.78 0.42 0.00 3.87 0.00 -0.63 -2.60 119.26 122.10 1uf2 h ALA 485 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uf2 h ALA 485 Cb 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1uf2 h ALA 485 CO -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1uf2 n ALA 486 N -2.23 2.55 -1.76 0.00 0.00 -0.64 -1.74 120.51 116.68 1uf2 n ALA 486 Ca -0.01 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1uf2 n ALA 486 Cb 0.08 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1uf2 n ALA 486 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uf2 s GLU 487 N -2.00 3.59 -0.21 0.00 2.12 -0.98 -4.84 118.70 116.37 1uf2 s GLU 487 Ca 0.29 2.13 -0.16 0.00 0.36 0.00 0.00 54.97 57.59 1uf2 s GLU 487 Cb 0.13 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1uf2 s GLU 487 CO 0.23 -0.80 0.40 0.42 -0.54 0.00 0.00 175.26 174.97 1uf2 s ILE 488 N -1.33 5.19 -0.15 -3.70 1.01 -1.26 -2.18 121.20 118.77 1uf2 s ILE 488 Ca 0.64 0.70 -0.20 0.00 0.00 0.00 0.00 60.65 61.79 1uf2 s ILE 488 Cb -0.37 -3.73 -0.24 0.00 0.01 0.00 0.00 42.46 38.13 1uf2 s ILE 488 CO 0.46 0.23 0.46 -0.07 0.00 0.00 0.00 174.94 176.03 1uf2 h LEU 489 N 7.80 0.16 -7.44 2.97 3.38 -1.20 -3.46 115.31 117.51 1uf2 h LEU 489 Ca -0.35 -0.75 -0.40 0.00 0.09 0.00 0.00 57.88 56.46 1uf2 h LEU 489 Cb 1.16 -0.05 -0.38 0.00 0.09 0.00 0.00 40.66 41.48 1uf2 h LEU 489 CO 0.71 1.45 -0.76 -0.63 0.09 0.00 0.00 178.44 179.30 1uf2 s ILE 490 N -2.38 0.19 0.51 1.22 1.01 -1.06 -5.02 121.20 115.67 1uf2 s ILE 490 Ca -0.23 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.43 1uf2 s ILE 490 Cb 0.03 -0.37 -0.06 0.00 0.01 0.00 0.00 42.46 42.07 1uf2 s ILE 490 CO 0.68 0.22 1.15 -2.16 0.00 0.00 0.00 174.94 174.83 1uf2 s PRO 491 N 1.90 3.51 0.25 2.79 0.04 -1.26 -0.50 135.00 141.72 1uf2 s PRO 491 Ca 0.03 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 1uf2 s PRO 491 Cb -0.12 -2.17 0.40 0.00 0.04 0.00 0.00 34.50 32.64 1uf2 s PRO 491 CO -0.04 -0.74 1.59 0.00 0.04 0.00 0.00 177.00 177.85 1uf2 h ALA 492 N 1.55 0.62 -0.96 8.56 0.00 -1.77 -2.02 119.26 125.25 1uf2 h ALA 492 Ca -0.50 0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1uf2 h ALA 492 Cb 1.26 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 19.52 1uf2 h ALA 492 CO 0.58 -0.41 -0.46 -0.25 0.00 0.00 0.00 179.25 178.71 1uf2 n ASP 493 N -5.52 -0.79 -1.19 0.00 10.43 -1.26 -1.77 116.55 116.45 1uf2 n ASP 493 Ca 0.13 1.68 -0.03 0.00 2.57 0.00 0.00 54.79 59.15 1uf2 n ASP 493 Cb 0.45 -0.31 0.02 0.00 1.84 0.00 0.00 41.12 43.12 1uf2 n ASP 493 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1uf2 n GLN 494 N -5.31 1.14 -4.27 -1.24 6.02 -0.76 -4.87 117.38 108.08 1uf2 n GLN 494 Ca 0.06 -0.32 -0.20 0.00 -0.01 0.00 0.00 57.00 56.54 1uf2 n GLN 494 Cb 0.32 -1.12 -0.13 0.00 1.02 0.00 0.00 30.24 30.33 1uf2 n GLN 494 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1uf2 s THR 495 N -0.36 1.20 0.06 5.09 -4.23 -0.73 -4.21 115.64 112.45 1uf2 s THR 495 Ca 0.06 -1.21 -0.25 0.00 -1.18 0.00 0.00 61.69 59.11 1uf2 s THR 495 Cb 0.05 -1.11 -0.17 0.00 1.34 0.00 0.00 72.50 72.61 1uf2 s THR 495 CO 0.01 -0.10 1.61 -1.28 -0.54 0.00 0.00 174.62 174.32 1uf2 h SER 496 N 4.54 -0.16 -4.41 3.99 0.87 -1.48 -3.43 113.55 113.47 1uf2 h SER 496 Ca -0.40 -0.07 -0.47 0.00 -1.23 0.00 0.00 61.79 59.61 1uf2 h SER 496 Cb 1.18 0.04 0.11 0.00 -0.44 0.00 0.00 62.40 63.29 1uf2 h SER 496 CO 0.42 -0.03 0.36 -0.72 -0.53 0.00 0.00 176.83 176.33 1uf2 s TYR 497 N -5.78 2.86 0.00 2.24 -0.85 -1.26 -4.98 117.35 109.59 1uf2 s TYR 497 Ca -0.14 0.91 -0.08 0.00 -0.52 0.00 0.00 57.07 57.24 1uf2 s TYR 497 Cb 0.05 -3.31 -0.04 0.00 0.38 0.00 0.00 41.96 39.03 1uf2 s TYR 497 CO 0.64 -1.84 0.79 0.78 -1.52 0.00 0.00 175.55 174.40 1uf2 h GLY 498 N -1.12 -0.29 -3.08 5.49 0.00 -1.89 -3.48 103.07 98.69 1uf2 h GLY 498 Ca -0.47 0.11 -0.45 0.00 0.00 0.00 0.00 47.33 46.51 1uf2 h GLY 498 CO 0.63 -0.11 -0.76 0.00 0.00 0.00 0.00 176.54 176.30 1uf2 n ALA 499 N -2.22 -2.60 -1.77 3.60 0.00 -1.26 -4.41 120.51 111.85 1uf2 n ALA 499 Ca -0.03 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1uf2 n ALA 499 Cb 0.11 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1uf2 n ALA 499 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1uf2 s ASN 500 N -0.74 6.79 -0.98 0.00 0.01 -1.26 -4.20 114.94 114.57 1uf2 s ASN 500 Ca 0.43 2.25 -0.12 0.00 -0.71 0.00 0.00 52.86 54.70 1uf2 s ASN 500 Cb -0.43 -2.61 0.23 0.00 0.41 0.00 0.00 41.25 38.86 1uf2 s ASN 500 CO 0.47 -0.48 0.99 -0.70 -1.51 0.00 0.00 177.10 175.88 1uf2 s GLU 501 N -2.11 3.89 0.80 -0.60 2.56 0.34 -4.91 118.70 118.66 1uf2 s GLU 501 Ca 0.54 -2.74 -0.12 0.00 0.00 0.00 0.00 54.97 52.65 1uf2 s GLU 501 Cb -0.29 -4.57 0.07 0.00 2.00 0.00 0.00 34.13 31.35 1uf2 s GLU 501 CO 0.36 -1.34 1.15 0.95 -0.56 0.00 0.00 175.26 175.82 1uf2 s THR 502 N -0.14 2.46 0.27 -1.70 -4.23 -1.26 -0.69 115.64 110.34 1uf2 s THR 502 Ca 0.26 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1uf2 s THR 502 Cb -0.09 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 1uf2 s THR 502 CO -0.08 -0.19 1.61 -0.09 -0.54 0.00 0.00 174.62 175.32 1uf2 h ARG 503 N -1.02 0.09 0.00 3.99 2.43 -1.36 -2.11 114.38 116.40 1uf2 h ARG 503 Ca -0.46 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1uf2 h ARG 503 Cb 1.31 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1uf2 h ARG 503 CO 0.64 0.66 0.00 0.00 -1.51 0.00 0.00 179.97 179.76 1uf2 h ALA 504 N 1.33 1.00 -0.58 2.80 0.00 -1.62 0.29 119.26 122.47 1uf2 h ALA 504 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uf2 h ALA 504 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1uf2 h ALA 504 CO 0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1uf2 n LEU 505 N -2.38 3.18 0.00 0.00 4.77 -0.79 -4.27 117.00 117.51 1uf2 n LEU 505 Ca 0.01 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 1uf2 n LEU 505 Cb 0.17 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1uf2 n LEU 505 CO 0.17 0.78 -0.17 -1.20 -1.33 0.00 0.00 177.39 175.64 1uf2 n SER 506 N 1.19 1.46 -0.28 -1.43 7.64 -0.12 -4.89 113.62 117.19 1uf2 n SER 506 Ca 0.20 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.16 1uf2 n SER 506 Cb 0.51 0.05 0.20 0.00 -1.01 0.00 0.00 64.21 63.96 1uf2 n SER 506 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uf2 h ALA 507 N 0.00 0.95 -0.48 -0.43 0.00 -0.69 -2.15 119.26 116.46 1uf2 h ALA 507 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1uf2 h ALA 507 Cb 0.34 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1uf2 h ALA 507 CO 0.00 -0.44 0.26 -1.35 0.00 0.00 0.00 179.25 177.72 1uf2 h PRO 508 N 0.12 0.68 -6.43 0.00 0.11 -1.80 -3.33 132.00 121.36 1uf2 h PRO 508 Ca 0.47 -0.08 -0.54 0.00 0.11 0.00 0.00 66.00 65.96 1uf2 h PRO 508 Cb 0.87 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1uf2 h PRO 508 CO -0.69 0.54 0.69 0.71 -0.21 0.00 0.00 178.00 179.04 1uf2 s TYR 509 N -5.84 3.20 0.00 0.65 1.51 -0.81 -4.66 117.35 111.40 1uf2 s TYR 509 Ca -0.13 1.10 0.00 0.00 -1.01 0.00 0.00 57.07 57.03 1uf2 s TYR 509 Cb 0.11 -3.53 0.00 0.00 -0.11 0.00 0.00 41.96 38.44 1uf2 s TYR 509 CO 0.75 -1.78 0.00 -0.11 -1.11 0.00 0.00 175.55 173.31 1uf2 n LEU 510 N 4.59 0.00 0.15 -1.29 7.94 0.18 -1.91 117.00 126.65 1uf2 n LEU 510 Ca 0.11 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.13 1uf2 n LEU 510 Cb 0.45 0.00 0.51 0.00 0.53 0.00 0.00 43.42 44.91 1uf2 n LEU 510 CO 0.57 0.00 0.87 -0.26 -1.11 0.00 0.00 177.39 177.46 1uf2 h PHE 511 N 0.00 0.00 0.00 1.96 0.05 -1.89 -3.46 116.94 113.60 1uf2 h PHE 511 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1uf2 h PHE 511 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 1uf2 h PHE 511 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 1uf2 n GLY 512 N 0.05 0.85 3.79 -1.45 0.00 -0.81 -5.05 105.19 102.57 1uf2 n GLY 512 Ca 0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1uf2 n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf2 s ALA 513 N -2.00 2.79 0.23 4.61 0.00 -1.26 -4.26 121.76 121.86 1uf2 s ALA 513 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1uf2 s ALA 513 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1uf2 s ALA 513 CO 0.00 -0.52 1.45 -2.14 0.00 0.00 0.00 175.76 174.55 1uf2 s PRO 514 N -3.25 4.27 0.57 0.00 0.02 -1.26 -4.56 135.00 130.79 1uf2 s PRO 514 Ca 0.70 2.29 0.37 0.00 0.02 0.00 0.00 61.00 64.37 1uf2 s PRO 514 Cb -0.20 -3.13 1.42 0.00 0.02 0.00 0.00 34.50 32.62 1uf2 s PRO 514 CO 0.23 -0.44 1.62 0.97 -0.33 0.00 0.00 177.00 179.04 1uf2 h ILE 515 N 3.66 0.17 0.05 2.83 2.10 -1.92 -0.73 117.51 123.68 1uf2 h ILE 515 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1uf2 h ILE 515 Cb 1.21 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 1uf2 h ILE 515 CO 0.80 0.00 -0.10 -1.13 -1.08 0.00 0.00 178.15 176.65 1uf2 h ASN 516 N 0.00 -0.29 -3.55 2.19 -0.73 -1.92 -3.38 115.58 107.90 1uf2 h ASN 516 Ca 0.60 0.03 -0.72 0.00 1.87 0.00 0.00 56.30 58.08 1uf2 h ASN 516 Cb 2.71 0.10 -0.32 0.00 0.27 0.00 0.00 38.32 41.08 1uf2 h ASN 516 CO -0.01 -0.11 -0.40 -0.04 -0.37 0.00 0.00 177.43 176.50 1uf2 s MET 517 N -3.52 2.44 0.18 6.67 -1.94 -0.28 -4.09 119.30 118.76 1uf2 s MET 517 Ca -0.03 -1.98 -0.05 0.00 -1.71 0.00 0.00 55.69 51.91 1uf2 s MET 517 Cb 0.01 -3.83 -0.06 0.00 2.01 0.00 0.00 34.83 32.97 1uf2 s MET 517 CO 0.11 -1.16 0.43 -0.51 -0.01 0.00 0.00 175.02 173.88 1uf2 s LEU 518 N 0.93 4.23 -0.29 -0.03 1.43 -1.25 -4.24 118.68 119.46 1uf2 s LEU 518 Ca 0.09 0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 53.56 1uf2 s LEU 518 Cb -0.23 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1uf2 s LEU 518 CO -0.03 -0.00 1.53 0.00 0.23 0.00 0.00 176.35 178.08 1uf2 s ALA 519 N -1.74 3.20 0.11 4.21 0.00 -1.26 -4.96 121.76 121.32 1uf2 s ALA 519 Ca 0.42 0.24 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 1uf2 s ALA 519 Cb -0.12 -3.87 -0.07 0.00 0.00 0.00 0.00 23.12 19.06 1uf2 s ALA 519 CO 0.25 -2.08 0.68 -1.25 0.00 0.00 0.00 175.76 173.36 1uf2 s PRO 520 N 4.74 4.40 -0.65 0.00 0.04 -1.26 -0.10 135.00 142.17 1uf2 s PRO 520 Ca 0.67 0.96 -0.27 0.00 0.04 0.00 0.00 61.00 62.40 1uf2 s PRO 520 Cb -0.20 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 1uf2 s PRO 520 CO 0.29 0.56 1.71 0.34 0.04 0.00 0.00 177.00 179.93 1uf2 s ASP 521 N -0.96 5.50 -0.37 6.66 -1.08 0.08 -4.55 116.67 121.95 1uf2 s ASP 521 Ca 0.33 0.13 0.07 0.00 -0.52 0.00 0.00 52.55 52.56 1uf2 s ASP 521 Cb -0.21 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.37 1uf2 s ASP 521 CO 0.23 -2.24 1.78 0.00 0.52 0.00 0.00 175.17 175.46 1uf2 n ALA 522 N 11.87 4.92 -0.16 3.66 0.00 -1.26 -4.54 120.51 135.01 1uf2 n ALA 522 Ca 0.16 -2.73 -0.06 0.00 0.00 0.00 0.00 53.44 50.81 1uf2 n ALA 522 Cb 0.51 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.77 1uf2 n ALA 522 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uf2 h ARG 523 N 1.60 0.54 -0.00 0.00 3.08 -1.96 -1.30 114.38 116.34 1uf2 h ARG 523 Ca 0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1uf2 h ARG 523 Cb 2.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.35 1uf2 h ARG 523 CO 0.82 0.36 0.00 1.28 -1.07 0.00 0.00 179.97 181.36 1uf2 n LEU 524 N -4.83 0.11 -0.04 3.04 4.77 -1.26 -4.32 117.00 114.48 1uf2 n LEU 524 Ca 0.03 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1uf2 n LEU 524 Cb 0.08 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1uf2 n LEU 524 CO 0.32 0.02 0.82 -1.28 -1.33 0.00 0.00 177.39 175.93 1uf2 h SER 525 N 0.17 -0.24 -0.04 -1.43 0.87 -1.55 -2.33 113.55 109.01 1uf2 h SER 525 Ca 0.00 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1uf2 h SER 525 Cb 0.04 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1uf2 h SER 525 CO 0.00 -0.09 -0.07 0.74 -0.53 0.00 0.00 176.83 176.88 1uf2 h THR 526 N -0.03 0.00 -1.04 2.23 2.02 -1.77 -0.95 112.91 113.36 1uf2 h THR 526 Ca 0.10 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.61 1uf2 h THR 526 Cb 0.18 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.45 1uf2 h THR 526 CO -0.22 0.00 0.61 1.88 0.37 0.00 0.00 175.52 178.16 1uf2 h TYR 527 N -0.05 0.86 0.49 3.16 -1.99 -1.86 -1.33 116.97 116.26 1uf2 h TYR 527 Ca 0.01 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1uf2 h TYR 527 Cb 0.07 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.58 1uf2 h TYR 527 CO -0.57 -0.16 -0.24 0.87 -0.00 0.00 0.00 178.16 178.06 1uf2 h LYS 528 N 0.30 -0.64 -0.76 4.88 1.57 -0.67 -3.03 116.57 118.22 1uf2 h LYS 528 Ca 0.73 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.73 1uf2 h LYS 528 Cb 1.77 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 34.10 1uf2 h LYS 528 CO -0.56 -0.34 0.07 -0.09 -0.57 0.00 0.00 179.45 177.96 1uf2 h ARG 529 N -0.88 0.15 0.00 3.15 2.43 -0.08 0.49 114.38 119.64 1uf2 h ARG 529 Ca -0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1uf2 h ARG 529 Cb 0.59 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1uf2 h ARG 529 CO 0.11 0.10 0.00 -0.25 -1.51 0.00 0.00 179.97 178.42 1uf2 n ASP 530 N -5.28 0.00 -0.39 -3.80 8.00 -0.95 -2.15 116.55 111.98 1uf2 n ASP 530 Ca 0.14 0.05 0.04 0.00 0.71 0.00 0.00 54.79 55.73 1uf2 n ASP 530 Cb 0.49 -0.25 0.07 0.00 -0.02 0.00 0.00 41.12 41.42 1uf2 n ASP 530 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uf2 n LEU 531 N -1.25 2.18 0.00 0.64 4.77 0.17 -4.95 117.00 118.57 1uf2 n LEU 531 Ca 0.06 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1uf2 n LEU 531 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1uf2 n LEU 531 CO 0.09 0.51 0.00 0.00 -1.33 0.00 0.00 177.39 176.65 1uf2 n ALA 532 N 0.32 0.00 -1.62 -1.18 0.00 -0.92 -5.01 120.51 112.10 1uf2 n ALA 532 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 1uf2 n ALA 532 Cb 0.29 -0.34 0.02 0.00 0.00 0.00 0.00 19.45 19.43 1uf2 n ALA 532 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uf2 s LEU 533 N 0.00 3.40 0.64 0.00 1.43 -1.14 -5.00 118.68 118.01 1uf2 s LEU 533 Ca 0.00 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 54.71 1uf2 s LEU 533 Cb 0.00 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1uf2 s LEU 533 CO 0.00 -1.28 1.18 -2.65 0.23 0.00 0.00 176.35 173.83 1uf2 n PRO 534 N -2.34 1.00 -0.08 1.29 -0.02 -1.26 -4.53 135.00 129.07 1uf2 n PRO 534 Ca 0.09 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1uf2 n PRO 534 Cb 0.53 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 1uf2 n PRO 534 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1uf2 h ASP 535 N 0.44 0.38 -1.53 2.55 3.32 -1.98 -3.47 116.42 116.15 1uf2 h ASP 535 Ca -0.50 -0.28 -0.67 0.00 0.02 0.00 0.00 57.03 55.59 1uf2 h ASP 535 Cb 1.35 -0.10 0.09 0.00 0.22 0.00 0.00 39.33 40.88 1uf2 h ASP 535 CO 0.52 0.57 -0.06 -2.11 -1.72 0.00 0.00 179.24 176.44 1uf2 n ARG 536 N -4.68 0.58 -4.21 3.56 1.85 -1.26 -5.00 116.66 107.49 1uf2 n ARG 536 Ca -0.04 0.21 -0.15 0.00 -1.00 0.00 0.00 57.85 56.87 1uf2 n ARG 536 Cb 0.22 -1.51 -0.09 0.00 -1.05 0.00 0.00 32.46 30.03 1uf2 n ARG 536 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1uf2 s SER 537 N -0.43 0.74 0.97 2.89 0.01 -1.26 -4.83 113.70 111.80 1uf2 s SER 537 Ca 0.71 -1.51 -0.14 0.00 1.31 0.00 0.00 55.95 56.32 1uf2 s SER 537 Cb -0.93 0.47 0.18 0.00 0.21 0.00 0.00 66.02 65.95 1uf2 s SER 537 CO 0.56 -0.97 1.18 -2.16 0.41 0.00 0.00 173.24 172.26 1uf2 s PRO 538 N -3.82 0.62 0.45 12.44 0.04 -1.26 -2.74 135.00 140.73 1uf2 s PRO 538 Ca 0.38 0.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.25 1uf2 s PRO 538 Cb 0.04 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 1uf2 s PRO 538 CO 0.18 -2.50 1.02 0.42 0.04 0.00 0.00 177.00 176.16 1uf2 s ILE 539 N -3.40 3.93 -0.44 0.56 1.01 0.46 -0.74 121.20 122.59 1uf2 s ILE 539 Ca 0.67 1.27 -0.20 0.00 0.00 0.00 0.00 60.65 62.39 1uf2 s ILE 539 Cb -0.11 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1uf2 s ILE 539 CO 0.53 -0.20 0.62 -0.22 0.00 0.00 0.00 174.94 175.68 1uf2 s LEU 540 N -3.19 4.59 0.45 2.97 2.96 0.86 -4.19 118.68 123.12 1uf2 s LEU 540 Ca 0.64 -0.44 0.19 0.00 -0.22 0.00 0.00 54.13 54.29 1uf2 s LEU 540 Cb -0.16 -2.66 1.08 0.00 0.50 0.00 0.00 46.19 44.96 1uf2 s LEU 540 CO 0.20 -0.77 1.97 -0.29 -1.32 0.00 0.00 176.35 176.13 1uf2 h ILE 541 N 5.86 0.94 -1.08 6.68 2.10 -1.95 -3.46 117.51 126.60 1uf2 h ILE 541 Ca -0.26 -0.79 0.23 0.00 1.08 0.00 0.00 64.86 65.12 1uf2 h ILE 541 Cb 1.10 1.45 -0.28 0.00 -1.09 0.00 0.00 36.82 38.00 1uf2 h ILE 541 CO 0.89 0.21 0.93 0.28 -1.08 0.00 0.00 178.15 179.38 1uf2 s THR 542 N -4.32 0.00 0.63 2.19 -1.32 -1.26 -4.95 115.64 106.62 1uf2 s THR 542 Ca -0.03 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.27 1uf2 s THR 542 Cb 0.14 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1uf2 s THR 542 CO 0.66 0.00 1.25 0.42 -2.21 0.00 0.00 174.62 174.74 1uf2 s THR 543 N -0.84 2.33 -0.32 5.08 -4.23 -1.26 -4.91 115.64 111.48 1uf2 s THR 543 Ca 0.08 0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1uf2 s THR 543 Cb -0.02 -3.04 0.10 0.00 1.34 0.00 0.00 72.50 70.88 1uf2 s THR 543 CO -0.09 -0.05 0.05 -0.69 -0.54 0.00 0.00 174.62 173.31 1uf2 s VAL 544 N -1.55 1.84 0.29 2.29 1.01 -1.26 -2.62 120.40 120.40 1uf2 s VAL 544 Ca 0.79 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.81 1uf2 s VAL 544 Cb -0.33 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1uf2 s VAL 544 CO 0.37 -0.58 0.43 -1.61 0.00 0.00 0.00 175.10 173.71 1uf2 s GLU 545 N 1.14 3.42 6.43 2.72 2.02 -0.79 -4.90 118.70 128.74 1uf2 s GLU 545 Ca 0.09 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1uf2 s GLU 545 Cb -0.19 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1uf2 s GLU 545 CO -0.13 0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1uf2 n GLY 546 N -1.56 1.62 0.00 -1.39 0.00 -1.26 -2.60 105.19 99.99 1uf2 n GLY 546 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1uf2 n GLY 546 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf2 n GLN 547 N 12.83 3.92 -1.50 1.61 10.64 -1.26 -4.83 117.38 138.79 1uf2 n GLN 547 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 1uf2 n GLN 547 Cb 0.00 -0.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.88 1uf2 n GLN 547 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1uf2 n ASN 548 N -0.32 -1.00 -4.13 2.61 6.94 -1.26 -4.98 115.26 113.12 1uf2 n ASN 548 Ca 0.00 -1.83 -0.37 0.00 -0.02 0.00 0.00 54.58 52.36 1uf2 n ASN 548 Cb 0.00 0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.69 1uf2 n ASN 548 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1uf2 s SER 549 N -0.90 5.32 -0.18 0.53 0.15 -1.07 -4.81 113.70 112.74 1uf2 s SER 549 Ca 0.03 -2.00 -0.15 0.00 0.70 0.00 0.00 55.95 54.53 1uf2 s SER 549 Cb 0.14 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 1uf2 s SER 549 CO -0.04 -0.56 0.34 -0.63 1.20 0.00 0.00 173.24 173.55 1uf2 s ILE 550 N 1.18 5.26 0.00 6.45 1.01 -1.26 -1.88 121.20 131.95 1uf2 s ILE 550 Ca 0.08 0.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.05 1uf2 s ILE 550 Cb -0.23 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1uf2 s ILE 550 CO -0.04 0.33 0.95 -0.55 0.00 0.00 0.00 174.94 175.63 1uf2 s SER 551 N 0.76 7.34 -0.02 3.58 0.15 -1.08 -4.92 113.70 119.52 1uf2 s SER 551 Ca 0.18 1.63 0.15 0.00 0.70 0.00 0.00 55.95 58.60 1uf2 s SER 551 Cb -0.14 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 62.06 1uf2 s SER 551 CO 0.06 -0.23 1.37 2.30 1.20 0.00 0.00 173.24 177.94 1uf2 n ILE 552 N 3.81 1.14 -0.13 6.45 -5.35 -1.26 -4.57 119.36 119.44 1uf2 n ILE 552 Ca 0.05 -1.07 0.28 0.00 -0.27 0.00 0.00 62.75 61.74 1uf2 n ILE 552 Cb 0.51 0.43 0.67 0.00 -1.74 0.00 0.00 39.64 39.51 1uf2 n ILE 552 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1uf2 h GLU 553 N 2.80 0.00 -0.19 6.28 4.57 -1.98 0.31 114.58 126.37 1uf2 h GLU 553 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1uf2 h GLU 553 Cb 0.90 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1uf2 h GLU 553 CO 0.03 0.00 -0.06 -0.91 -1.18 0.00 0.00 179.01 176.89 1uf2 h ASN 554 N 0.00 0.38 -0.35 1.04 4.21 -1.95 -2.75 115.58 116.16 1uf2 h ASN 554 Ca 0.40 -0.38 -0.07 0.00 1.21 0.00 0.00 56.30 57.46 1uf2 h ASN 554 Cb 1.98 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 39.06 1uf2 h ASN 554 CO -0.00 0.68 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.70 1uf2 h LEU 555 N 0.08 0.64 -1.63 1.61 4.07 -0.77 -2.81 115.31 116.50 1uf2 h LEU 555 Ca 0.05 -0.34 0.23 0.00 0.08 0.00 0.00 57.88 57.90 1uf2 h LEU 555 Cb 0.52 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.02 1uf2 h LEU 555 CO 0.02 0.82 0.63 -0.09 -1.08 0.00 0.00 178.44 178.75 1uf2 h ARG 556 N 0.44 0.27 0.22 1.13 2.43 -1.33 0.20 114.38 117.74 1uf2 h ARG 556 Ca 0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1uf2 h ARG 556 Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1uf2 h ARG 556 CO 0.03 0.18 -0.10 1.25 -1.51 0.00 0.00 179.97 179.81 1uf2 h HIS 557 N 0.28 -0.27 -0.63 2.20 2.76 -1.21 -2.24 115.15 116.04 1uf2 h HIS 557 Ca 0.48 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.63 1uf2 h HIS 557 Cb 1.41 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.43 1uf2 h HIS 557 CO -0.00 -0.06 0.33 0.87 -1.30 0.00 0.00 177.93 177.76 1uf2 h LYS 558 N -0.44 0.87 -0.53 5.26 1.79 -0.97 -2.00 116.57 120.55 1uf2 h LYS 558 Ca -0.03 -0.10 0.10 0.00 -2.18 0.00 0.00 60.65 58.44 1uf2 h LYS 558 Cb 0.33 -0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 30.73 1uf2 h LYS 558 CO 0.05 0.65 0.05 1.15 -1.08 0.00 0.00 179.45 180.27 1uf2 h THR 559 N 0.88 0.62 -0.26 -0.16 2.02 -0.40 0.64 112.91 116.25 1uf2 h THR 559 Ca 0.22 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1uf2 h THR 559 Cb 0.05 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1uf2 h THR 559 CO -0.03 0.03 0.14 1.23 0.37 0.00 0.00 175.52 177.26 1uf2 h GLY 560 N 0.17 0.38 0.99 2.16 0.00 -0.78 -1.00 103.07 104.99 1uf2 h GLY 560 Ca 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1uf2 h GLY 560 CO -0.41 0.17 0.66 -2.00 0.00 0.00 0.00 176.54 174.95 1uf2 h LEU 561 N 0.31 1.13 -0.78 3.11 5.85 -0.63 -0.17 115.31 124.13 1uf2 h LEU 561 Ca 0.09 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1uf2 h LEU 561 Cb 0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1uf2 h LEU 561 CO -0.01 0.81 0.24 0.40 -0.34 0.00 0.00 178.44 179.54 1uf2 h ILE 562 N 1.33 1.26 -0.67 4.05 2.04 0.52 0.22 117.51 126.27 1uf2 h ILE 562 Ca 0.37 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1uf2 h ILE 562 Cb -0.14 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1uf2 h ILE 562 CO -0.08 0.36 0.33 -0.09 0.00 0.00 0.00 178.15 178.66 1uf2 h ARG 563 N 1.11 0.96 -0.34 2.37 2.43 -0.04 -2.36 114.38 118.51 1uf2 h ARG 563 Ca 0.24 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1uf2 h ARG 563 Cb 0.30 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1uf2 h ARG 563 CO -0.01 0.75 -0.20 0.00 -1.51 0.00 0.00 179.97 179.01 1uf2 h ALA 564 N 1.15 1.03 -0.34 2.80 0.00 -0.52 -2.12 119.26 121.26 1uf2 h ALA 564 Ca 0.23 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1uf2 h ALA 564 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1uf2 h ALA 564 CO -0.03 0.58 0.07 0.52 0.00 0.00 0.00 179.25 180.39 1uf2 h MET 565 N 0.56 0.56 0.00 0.00 2.86 -0.49 -3.39 114.93 115.03 1uf2 h MET 565 Ca 0.09 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1uf2 h MET 565 Cb 0.65 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1uf2 h MET 565 CO 0.05 0.63 -1.17 0.66 1.06 0.00 0.00 176.91 178.14 1uf2 n TYR 566 N -4.60 0.00 1.06 -0.22 4.02 -0.93 -4.77 117.16 111.73 1uf2 n TYR 566 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1uf2 n TYR 566 Cb 0.21 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1uf2 n TYR 566 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1uf2 n LEU 567 N -2.87 0.94 -0.06 7.72 4.77 -0.80 -3.50 117.00 123.20 1uf2 n LEU 567 Ca -0.06 -0.47 0.05 0.00 -0.03 0.00 0.00 56.01 55.50 1uf2 n LEU 567 Cb 0.55 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1uf2 n LEU 567 CO 0.02 0.23 0.52 -3.20 -1.33 0.00 0.00 177.39 173.63 1uf2 n ASN 568 N -0.03 2.04 0.00 -1.43 5.15 -1.20 -4.97 115.26 114.82 1uf2 n ASN 568 Ca 0.00 -2.55 0.00 0.00 -0.60 0.00 0.00 54.58 51.43 1uf2 n ASN 568 Cb 0.23 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1uf2 n ASN 568 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uf2 n GLY 569 N -0.96 -2.12 0.81 8.20 0.00 -1.23 -5.08 105.19 104.81 1uf2 n GLY 569 Ca 0.08 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 1uf2 n GLY 569 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uf2 n PHE 570 N -0.91 -0.70 -0.09 1.61 3.01 -1.26 -4.95 117.46 114.17 1uf2 n PHE 570 Ca 0.00 -0.52 -0.11 0.00 1.01 0.00 0.00 57.45 57.83 1uf2 n PHE 570 Cb 0.00 -0.09 -0.11 0.00 -0.01 0.00 0.00 39.48 39.27 1uf2 n PHE 570 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1uf2 n VAL 571 N -0.58 1.11 -2.98 -4.37 0.31 -0.50 -4.75 118.33 106.56 1uf2 n VAL 571 Ca -0.02 -0.55 -0.14 0.00 -0.01 0.00 0.00 64.34 63.62 1uf2 n VAL 571 Cb 0.14 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.14 1uf2 n VAL 571 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1uf2 n THR 572 N -2.84 -0.42 -1.16 2.52 -2.24 -1.18 -5.04 114.28 103.94 1uf2 n THR 572 Ca -0.31 -2.17 -0.41 0.00 -2.27 0.00 0.00 64.05 58.90 1uf2 n THR 572 Cb 0.94 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1uf2 n THR 572 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uf2 n GLN 573 N 2.41 0.00 -1.68 -0.78 10.64 -1.26 -4.62 117.38 122.08 1uf2 n GLN 573 Ca 0.20 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.99 1uf2 n GLN 573 Cb 0.55 -0.89 0.06 0.00 -0.86 0.00 0.00 30.24 29.10 1uf2 n GLN 573 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1uf2 n PRO 574 N 0.89 1.09 -0.20 2.61 -0.04 -1.26 -4.87 135.00 133.21 1uf2 n PRO 574 Ca 0.15 0.42 0.01 0.00 -0.04 0.00 0.00 63.50 64.04 1uf2 n PRO 574 Cb 0.18 -2.37 0.10 0.00 -0.04 0.00 0.00 33.50 31.37 1uf2 n PRO 574 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1uf2 h PRO 575 N 0.63 0.15 -1.17 0.54 0.13 -1.89 -1.40 132.00 128.99 1uf2 h PRO 575 Ca -0.50 -0.01 0.33 0.00 -0.87 0.00 0.00 66.00 64.96 1uf2 h PRO 575 Cb 1.35 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1uf2 h PRO 575 CO 0.53 0.10 0.81 0.00 -0.23 0.00 0.00 178.00 179.20 1uf2 h ALA 576 N 1.54 2.84 -0.35 -0.56 0.00 -1.89 -0.99 119.26 119.85 1uf2 h ALA 576 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1uf2 h ALA 576 Cb 0.51 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1uf2 h ALA 576 CO -0.49 -1.23 0.00 0.91 0.00 0.00 0.00 179.25 178.44 1uf2 n TRP 577 N -4.35 0.46 0.09 0.00 7.02 -0.53 -4.08 117.44 116.05 1uf2 n TRP 577 Ca 0.27 -0.23 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1uf2 n TRP 577 Cb 1.17 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.99 1uf2 n TRP 577 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1uf2 h ILE 578 N 2.18 0.63 0.08 -0.99 2.04 -1.27 -3.28 117.51 116.90 1uf2 h ILE 578 Ca 0.00 -0.96 -0.37 0.00 1.00 0.00 0.00 64.86 64.53 1uf2 h ILE 578 Cb 0.50 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1uf2 h ILE 578 CO 0.00 0.16 -2.14 0.54 0.00 0.00 0.00 178.15 176.70 1uf2 n ARG 579 N -4.99 0.72 -0.55 2.37 1.74 -1.26 -4.35 116.66 110.34 1uf2 n ARG 579 Ca -0.08 0.22 -0.01 0.00 -0.77 0.00 0.00 57.85 57.22 1uf2 n ARG 579 Cb 0.25 -1.65 0.19 0.00 -1.02 0.00 0.00 32.46 30.23 1uf2 n ARG 579 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1uf2 n ASN 580 N -3.38 3.58 -0.36 0.55 3.02 -1.26 -4.55 115.26 112.86 1uf2 n ASN 580 Ca -0.36 -2.61 -0.06 0.00 -0.03 0.00 0.00 54.58 51.51 1uf2 n ASN 580 Cb 1.03 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 1uf2 n ASN 580 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uf2 n ALA 581 N 0.15 -0.40 0.30 5.41 0.00 -1.24 -1.40 120.51 123.34 1uf2 n ALA 581 Ca 0.20 0.79 -0.18 0.00 0.00 0.00 0.00 53.44 54.25 1uf2 n ALA 581 Cb 0.87 -0.22 -0.09 0.00 0.00 0.00 0.00 19.45 20.01 1uf2 n ALA 581 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1uf2 h ASN 582 N 0.00 -1.27 -0.55 0.00 2.35 -1.88 -2.19 115.58 112.04 1uf2 h ASN 582 Ca 0.20 0.10 0.09 0.00 -0.55 0.00 0.00 56.30 56.14 1uf2 h ASN 582 Cb 0.42 0.42 -0.11 0.00 0.05 0.00 0.00 38.32 39.10 1uf2 h ASN 582 CO -0.84 -0.64 -0.39 -1.28 -1.65 0.00 0.00 177.43 172.62 1uf2 h SER 583 N -0.98 -1.35 -0.36 5.81 0.87 -1.34 -0.29 113.55 115.91 1uf2 h SER 583 Ca -0.06 0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.81 1uf2 h SER 583 Cb 0.84 0.63 -0.07 0.00 -0.44 0.00 0.00 62.40 63.36 1uf2 h SER 583 CO -0.04 -0.33 -0.12 0.78 -0.53 0.00 0.00 176.83 176.59 1uf2 h ASN 584 N -0.22 -0.43 -0.66 6.23 2.35 -1.17 0.82 115.58 122.49 1uf2 h ASN 584 Ca 0.19 0.12 0.14 0.00 -0.55 0.00 0.00 56.30 56.20 1uf2 h ASN 584 Cb 0.56 0.26 -0.11 0.00 0.05 0.00 0.00 38.32 39.09 1uf2 h ASN 584 CO -0.66 -0.16 0.05 0.74 -1.65 0.00 0.00 177.43 175.75 1uf2 h THR 585 N -0.05 0.49 0.10 2.81 2.02 -0.45 0.33 112.91 118.16 1uf2 h THR 585 Ca 0.18 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1uf2 h THR 585 Cb 0.32 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1uf2 h THR 585 CO -0.40 0.03 -0.05 0.00 0.37 0.00 0.00 175.52 175.47 1uf2 h ALA 586 N 1.58 -0.13 0.07 6.16 0.00 0.14 -0.65 119.26 126.43 1uf2 h ALA 586 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1uf2 h ALA 586 Cb 0.58 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1uf2 h ALA 586 CO -0.53 -0.45 -0.06 1.25 0.00 0.00 0.00 179.25 179.47 1uf2 h LEU 587 N -0.38 -0.14 -1.67 0.00 5.85 -0.11 -1.86 115.31 117.00 1uf2 h LEU 587 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1uf2 h LEU 587 Cb 0.32 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1uf2 h LEU 587 CO 0.02 -0.09 -0.06 0.25 -0.34 0.00 0.00 178.44 178.22 1uf2 h LEU 588 N -0.13 0.12 -0.81 2.25 5.85 -0.40 -0.74 115.31 121.44 1uf2 h LEU 588 Ca -0.00 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1uf2 h LEU 588 Cb 0.12 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1uf2 h LEU 588 CO -0.01 0.20 -0.27 -1.28 -0.34 0.00 0.00 178.44 176.75 1uf2 h SER 589 N 0.13 0.59 -0.31 1.25 0.87 -0.55 -1.36 113.55 114.17 1uf2 h SER 589 Ca 0.03 -0.22 -0.15 0.00 -1.23 0.00 0.00 61.79 60.22 1uf2 h SER 589 Cb 0.20 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1uf2 h SER 589 CO 0.01 0.84 -0.40 0.03 -0.53 0.00 0.00 176.83 176.79 1uf2 h ARG 590 N 0.51 0.81 -0.49 2.24 3.08 -0.45 -1.67 114.38 118.41 1uf2 h ARG 590 Ca 0.07 -0.46 0.09 0.00 0.07 0.00 0.00 59.98 59.75 1uf2 h ARG 590 Cb 0.73 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.74 1uf2 h ARG 590 CO 0.06 1.10 0.00 0.35 -1.07 0.00 0.00 179.97 180.41 1uf2 h PHE 591 N 0.58 -0.02 -0.35 3.04 3.57 -0.78 -0.56 116.94 122.42 1uf2 h PHE 591 Ca 0.04 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1uf2 h PHE 591 Cb 0.99 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1uf2 h PHE 591 CO 0.07 -0.11 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.94 1uf2 h LEU 592 N 0.12 0.63 -2.68 0.59 3.38 -1.12 -2.74 115.31 113.49 1uf2 h LEU 592 Ca 0.25 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1uf2 h LEU 592 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uf2 h LEU 592 CO -0.41 0.82 -0.01 0.44 0.09 0.00 0.00 178.44 179.37 1uf2 h ASP 593 N 0.44 0.00 -0.01 -0.43 3.32 -0.49 -2.21 116.42 117.04 1uf2 h ASP 593 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1uf2 h ASP 593 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1uf2 h ASP 593 CO 0.03 0.01 -0.41 0.00 -1.72 0.00 0.00 179.24 177.14 1uf2 n ALA 594 N -2.11 3.41 -0.30 3.45 0.00 -0.29 -4.59 120.51 120.07 1uf2 n ALA 594 Ca -0.02 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 52.88 1uf2 n ALA 594 Cb 0.11 -0.81 0.28 0.00 0.00 0.00 0.00 19.45 19.03 1uf2 n ALA 594 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1uf2 h THR 595 N 2.66 0.59 0.00 0.00 2.02 -1.12 -0.84 112.91 116.22 1uf2 h THR 595 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1uf2 h THR 595 Cb 0.77 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1uf2 h THR 595 CO 0.00 0.09 0.39 -0.65 0.37 0.00 0.00 175.52 175.72 1uf2 h PRO 596 N 0.51 0.00 0.00 6.66 0.11 -1.81 0.46 132.00 137.93 1uf2 h PRO 596 Ca 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.63 1uf2 h PRO 596 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1uf2 h PRO 596 CO -0.45 0.00 -0.01 -0.91 -0.21 0.00 0.00 178.00 176.42 1uf2 h ASN 597 N 0.00 0.00 0.03 -2.05 4.21 -1.41 0.36 115.58 116.71 1uf2 h ASN 597 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1uf2 h ASN 597 Cb 0.78 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.98 1uf2 h ASN 597 CO 0.00 0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.33 1uf2 n LEU 598 N -4.16 0.18 -0.34 1.61 4.77 0.16 -1.36 117.00 117.85 1uf2 n LEU 598 Ca -0.03 0.58 0.22 0.00 -0.03 0.00 0.00 56.01 56.75 1uf2 n LEU 598 Cb 0.10 -0.60 0.46 0.00 -2.33 0.00 0.00 43.42 41.04 1uf2 n LEU 598 CO 0.31 -0.63 1.18 0.25 -1.33 0.00 0.00 177.39 177.16 1uf2 h LEU 599 N 0.00 0.54 -1.31 2.23 5.85 -0.45 0.10 115.31 122.28 1uf2 h LEU 599 Ca 0.00 0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1uf2 h LEU 599 Cb 0.01 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1uf2 h LEU 599 CO 0.00 0.03 0.54 1.23 -0.34 0.00 0.00 178.44 179.90 1uf2 h GLY 600 N 0.44 1.12 0.84 3.75 0.00 -1.45 -0.96 103.07 106.81 1uf2 h GLY 600 Ca 0.66 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1uf2 h GLY 600 CO -0.44 0.17 -0.02 -2.22 0.00 0.00 0.00 176.54 174.02 1uf2 h ILE 601 N 0.75 1.27 -0.60 2.60 2.04 -1.02 -2.49 117.51 120.05 1uf2 h ILE 601 Ca 0.39 -0.97 0.12 0.00 1.00 0.00 0.00 64.86 65.40 1uf2 h ILE 601 Cb 0.49 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 1uf2 h ILE 601 CO -0.16 0.30 0.09 1.88 0.00 0.00 0.00 178.15 180.26 1uf2 h TYR 602 N 0.20 0.13 -0.50 1.37 0.99 -1.06 0.17 116.97 118.26 1uf2 h TYR 602 Ca 0.06 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.87 1uf2 h TYR 602 Cb 0.46 0.03 -0.04 0.00 1.00 0.00 0.00 36.73 38.18 1uf2 h TYR 602 CO 0.04 -0.07 0.26 0.93 -0.00 0.00 0.00 178.16 179.32 1uf2 h GLU 603 N 0.21 0.50 0.54 4.88 5.08 -1.00 -0.71 114.58 124.10 1uf2 h GLU 603 Ca 0.32 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1uf2 h GLU 603 Cb 0.49 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1uf2 h GLU 603 CO -0.44 0.33 -0.26 0.00 -1.00 0.00 0.00 179.01 177.64 1uf2 h ALA 604 N 1.26 -0.73 -0.44 3.43 0.00 -0.77 -2.19 119.26 119.83 1uf2 h ALA 604 Ca 0.22 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1uf2 h ALA 604 Cb 0.11 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1uf2 h ALA 604 CO -0.14 -0.76 -0.22 0.82 0.00 0.00 0.00 179.25 178.94 1uf2 h ILE 605 N -1.03 0.36 -0.76 0.00 1.08 -0.97 -0.20 117.51 116.00 1uf2 h ILE 605 Ca -0.07 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.56 1uf2 h ILE 605 Cb 0.63 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 1uf2 h ILE 605 CO 0.12 0.00 0.51 -0.07 -0.69 0.00 0.00 178.15 178.02 1uf2 h LEU 606 N -0.14 0.32 -0.42 1.44 3.38 -1.13 -0.54 115.31 118.23 1uf2 h LEU 606 Ca 0.21 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 1uf2 h LEU 606 Cb 0.46 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1uf2 h LEU 606 CO -0.52 0.16 -0.66 0.00 0.09 0.00 0.00 178.44 177.50 1uf2 h ALA 607 N 1.65 0.60 -0.11 1.53 0.00 -0.38 -3.14 119.26 119.41 1uf2 h ALA 607 Ca 0.37 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1uf2 h ALA 607 Cb 0.97 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1uf2 h ALA 607 CO -0.11 0.72 -0.64 -0.91 0.00 0.00 0.00 179.25 178.31 1uf2 h ASN 608 N 0.37 0.46 0.00 0.00 2.35 -0.57 -2.24 115.58 115.95 1uf2 h ASN 608 Ca -0.02 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1uf2 h ASN 608 Cb 1.23 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1uf2 h ASN 608 CO 0.12 0.98 0.00 0.35 -1.65 0.00 0.00 177.43 177.23 1uf2 n THR 609 N -3.88 0.00 0.00 2.81 -2.24 -0.66 -1.63 114.28 108.68 1uf2 n THR 609 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1uf2 n THR 609 Cb 0.65 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1uf2 n THR 609 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uf2 n TYR 610 N -0.61 0.00 0.00 4.78 9.36 -1.11 -4.66 117.16 124.92 1uf2 n TYR 610 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1uf2 n TYR 610 Cb 0.02 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 1uf2 n TYR 610 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1uf2 n ALA 611 N -1.38 2.01 -0.76 2.98 0.00 -0.86 -4.87 120.51 117.63 1uf2 n ALA 611 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1uf2 n ALA 611 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1uf2 n ALA 611 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1uf2 n ASN 612 N -1.01 0.00 -0.14 0.00 4.13 -1.23 -3.21 115.26 113.79 1uf2 n ASN 612 Ca 0.00 0.41 0.13 0.00 1.68 0.00 0.00 54.58 56.81 1uf2 n ASN 612 Cb 0.00 -0.02 0.42 0.00 -1.54 0.00 0.00 39.78 38.65 1uf2 n ASN 612 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uf2 n ALA 613 N -0.98 3.06 -1.71 5.41 0.00 -0.65 -4.46 120.51 121.18 1uf2 n ALA 613 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 1uf2 n ALA 613 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1uf2 n ALA 613 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1uf2 n VAL 614 N -0.97 0.79 -3.65 0.00 3.14 -1.12 -4.96 118.33 111.56 1uf2 n VAL 614 Ca 0.11 -0.20 -0.12 0.00 -2.96 0.00 0.00 64.34 61.17 1uf2 n VAL 614 Cb 0.33 -1.76 -0.06 0.00 -1.06 0.00 0.00 33.84 31.29 1uf2 n VAL 614 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1uf2 s ASN 615 N 0.54 -0.27 0.54 6.55 3.84 -1.26 -4.28 114.94 120.60 1uf2 s ASN 615 Ca 0.68 -0.11 0.21 0.00 0.21 0.00 0.00 52.86 53.86 1uf2 s ASN 615 Cb -0.57 0.44 1.43 0.00 -0.55 0.00 0.00 41.25 42.00 1uf2 s ASN 615 CO 0.46 -0.73 2.13 0.58 -2.79 0.00 0.00 177.10 176.76 1uf2 h VAL 616 N 2.79 0.81 -0.79 -5.21 2.07 -1.53 -1.94 116.25 112.46 1uf2 h VAL 616 Ca -0.32 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 66.79 1uf2 h VAL 616 Cb 1.22 0.93 -0.25 0.00 -1.52 0.00 0.00 31.29 31.68 1uf2 h VAL 616 CO 0.45 0.00 0.52 -1.22 0.02 0.00 0.00 177.57 177.34 1uf2 n TYR 617 N -4.31 2.44 -2.33 1.57 0.53 -1.26 -4.88 117.16 108.91 1uf2 n TYR 617 Ca -0.00 -1.58 -0.25 0.00 -1.02 0.00 0.00 57.90 55.05 1uf2 n TYR 617 Cb 0.21 -0.81 0.08 0.00 -1.03 0.00 0.00 39.34 37.79 1uf2 n TYR 617 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1uf2 s ASP 619 N -4.56 -0.14 0.00 0.00 2.15 -0.64 -4.46 116.67 109.02 1uf2 s ASP 619 Ca 0.62 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1uf2 s ASP 619 Cb -0.09 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 1uf2 s ASP 619 CO 0.44 -0.58 0.36 -1.54 -0.17 0.00 0.00 175.17 173.68 1uf2 n SER 620 N -0.43 0.08 -4.51 -0.34 3.41 -1.11 -4.03 113.62 106.69 1uf2 n SER 620 Ca -0.07 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 1uf2 n SER 620 Cb 0.61 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 1uf2 n SER 620 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1uf2 s VAL 621 N -0.03 5.12 -0.09 -3.33 1.01 -1.26 -4.00 120.40 117.82 1uf2 s VAL 621 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1uf2 s VAL 621 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1uf2 s VAL 621 CO 0.00 -0.28 1.49 -0.47 0.00 0.00 0.00 175.10 175.84 1uf2 s TYR 622 N 2.09 2.36 -0.42 5.22 5.04 -1.26 -4.84 117.35 125.54 1uf2 s TYR 622 Ca 0.12 0.54 -0.14 0.00 -2.44 0.00 0.00 57.07 55.15 1uf2 s TYR 622 Cb -0.17 -3.75 0.04 0.00 0.35 0.00 0.00 41.96 38.44 1uf2 s TYR 622 CO 0.13 -2.96 0.30 1.03 -1.34 0.00 0.00 175.55 172.71 1uf2 s ARG 623 N 3.72 2.91 0.11 4.97 0.52 -1.26 -4.94 118.95 124.98 1uf2 s ARG 623 Ca 0.66 -1.15 0.24 0.00 -0.52 0.00 0.00 55.73 54.96 1uf2 s ARG 623 Cb -0.29 -3.95 0.95 0.00 0.52 0.00 0.00 34.95 32.18 1uf2 s ARG 623 CO 0.24 -0.82 1.75 0.00 0.02 0.00 0.00 175.30 176.49 1uf2 n ALA 624 N 5.12 2.06 1.45 2.13 0.00 -1.26 -3.73 120.51 126.27 1uf2 n ALA 624 Ca -0.11 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.43 1uf2 n ALA 624 Cb 0.46 -1.41 0.60 0.00 0.00 0.00 0.00 19.45 19.10 1uf2 n ALA 624 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1uf2 n ASP 625 N -1.85 0.61 -4.69 0.00 5.75 -1.26 -1.49 116.55 113.62 1uf2 n ASP 625 Ca 0.05 -0.75 -0.42 0.00 -0.01 0.00 0.00 54.79 53.66 1uf2 n ASP 625 Cb 0.31 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 1uf2 n ASP 625 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1uf2 s ILE 626 N -2.38 4.41 0.33 2.12 -1.09 -1.24 -4.43 121.20 118.91 1uf2 s ILE 626 Ca 0.31 1.72 -0.29 0.00 -2.23 0.00 0.00 60.65 60.16 1uf2 s ILE 626 Cb 0.20 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.87 1uf2 s ILE 626 CO 0.46 0.04 1.44 -2.16 -1.23 0.00 0.00 174.94 173.48 1uf2 s PRO 627 N 1.85 4.21 0.48 2.79 0.04 -1.26 -4.64 135.00 138.47 1uf2 s PRO 627 Ca 0.54 2.43 0.14 0.00 0.04 0.00 0.00 61.00 64.15 1uf2 s PRO 627 Cb -0.24 -3.03 1.14 0.00 0.04 0.00 0.00 34.50 32.42 1uf2 s PRO 627 CO 0.23 -0.43 2.08 0.82 0.04 0.00 0.00 177.00 179.74 1uf2 h ILE 628 N 3.13 0.98 0.00 0.56 1.08 -1.94 -2.04 117.51 119.28 1uf2 h ILE 628 Ca -0.49 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1uf2 h ILE 628 Cb 1.23 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1uf2 h ILE 628 CO 0.68 0.04 -0.00 -0.08 -0.69 0.00 0.00 178.15 178.10 1uf2 h GLU 629 N 0.21 0.00 0.00 2.37 4.81 -1.99 -2.70 114.58 117.27 1uf2 h GLU 629 Ca 0.11 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 1uf2 h GLU 629 Cb 0.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1uf2 h GLU 629 CO -0.02 0.00 -0.80 -1.49 -0.73 0.00 0.00 179.01 175.97 1uf2 h TRP 630 N 0.00 0.00 -4.12 0.92 4.06 -1.75 -3.46 115.95 111.61 1uf2 h TRP 630 Ca -0.00 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.48 1uf2 h TRP 630 Cb 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1uf2 h TRP 630 CO 0.00 0.68 0.37 0.15 -3.56 0.00 0.00 178.44 176.08 1uf2 s LYS 631 N -2.87 3.83 0.38 0.49 1.02 -1.02 -4.59 119.74 116.98 1uf2 s LYS 631 Ca 0.02 1.20 -0.22 0.00 0.02 0.00 0.00 55.97 56.99 1uf2 s LYS 631 Cb 0.08 -2.11 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1uf2 s LYS 631 CO 0.78 -0.38 0.92 -0.51 -0.92 0.00 0.00 175.35 175.23 1uf2 s LEU 632 N -3.72 4.08 0.05 3.17 1.43 -0.36 -4.90 118.68 118.43 1uf2 s LEU 632 Ca 0.64 1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 55.37 1uf2 s LEU 632 Cb -0.13 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 1uf2 s LEU 632 CO 0.24 -0.24 0.08 -1.38 0.23 0.00 0.00 176.35 175.27 1uf2 s HIS 633 N -1.97 0.28 0.20 0.29 -3.43 -1.26 -1.43 115.29 107.97 1uf2 s HIS 633 Ca 0.57 -0.67 -0.23 0.00 -0.80 0.00 0.00 55.06 53.93 1uf2 s HIS 633 Cb -0.12 -0.19 0.05 0.00 -1.43 0.00 0.00 32.58 30.89 1uf2 s HIS 633 CO 0.17 -0.40 0.72 1.14 -2.00 0.00 0.00 174.74 174.36 1uf2 s GLN 634 N -3.20 1.47 0.11 -0.38 -2.07 -1.22 -5.03 119.66 109.34 1uf2 s GLN 634 Ca 0.00 -0.71 0.06 0.00 -1.82 0.00 0.00 55.36 52.88 1uf2 s GLN 634 Cb 0.02 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.47 1uf2 s GLN 634 CO -0.07 -0.66 -0.01 -1.54 -1.32 0.00 0.00 175.29 171.69 1uf2 s SER 635 N -2.83 4.91 0.03 12.60 1.04 -1.26 -2.01 113.70 126.18 1uf2 s SER 635 Ca 0.07 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1uf2 s SER 635 Cb -0.03 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.95 1uf2 s SER 635 CO -0.02 0.16 -0.09 0.68 0.98 0.00 0.00 173.24 174.95 1uf2 s VAL 636 N -1.39 0.68 -0.31 5.02 -7.23 -0.43 -4.89 120.40 111.85 1uf2 s VAL 636 Ca 0.26 -0.78 -0.10 0.00 -1.81 0.00 0.00 61.98 59.55 1uf2 s VAL 636 Cb -0.11 -0.66 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 1uf2 s VAL 636 CO 0.18 -0.10 0.15 -0.62 -0.31 0.00 0.00 175.10 174.40 1uf2 s ASP 637 N -0.97 5.54 0.56 4.85 -1.08 -1.26 -1.99 116.67 122.31 1uf2 s ASP 637 Ca -0.02 -0.53 0.31 0.00 -0.52 0.00 0.00 52.55 51.79 1uf2 s ASP 637 Cb -0.07 -2.00 1.63 0.00 -1.46 0.00 0.00 42.92 41.03 1uf2 s ASP 637 CO 0.00 -0.20 2.13 -0.65 0.52 0.00 0.00 175.17 176.97 1uf2 h PRO 638 N 8.35 0.00 0.00 4.34 0.11 -1.97 -1.95 132.00 140.88 1uf2 h PRO 638 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1uf2 h PRO 638 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uf2 h PRO 638 CO 0.61 0.07 -0.14 0.37 -0.21 0.00 0.00 178.00 178.71 1uf2 h GLN 639 N 0.00 0.00 -0.13 1.05 4.15 -1.91 -0.93 115.11 117.34 1uf2 h GLN 639 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1uf2 h GLN 639 Cb 0.28 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1uf2 h GLN 639 CO 0.01 0.14 0.12 -0.44 -1.93 0.00 0.00 178.83 176.73 1uf2 h ASP 640 N 0.00 0.00 0.15 -0.69 3.32 -1.74 0.97 116.42 118.44 1uf2 h ASP 640 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uf2 h ASP 640 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1uf2 h ASP 640 CO 0.02 0.00 0.00 -0.11 -1.72 0.00 0.00 179.24 177.43 1uf2 n LEU 641 N -3.99 0.39 0.48 1.55 7.94 -0.35 -2.92 117.00 120.10 1uf2 n LEU 641 Ca 0.00 0.66 -0.19 0.00 -1.11 0.00 0.00 56.01 55.38 1uf2 n LEU 641 Cb 0.24 -0.68 -0.09 0.00 0.53 0.00 0.00 43.42 43.41 1uf2 n LEU 641 CO 0.29 -0.73 0.53 0.25 -1.11 0.00 0.00 177.39 176.63 1uf2 h LEU 642 N 0.00 -1.03 -2.17 -1.96 5.85 -0.97 -0.49 115.31 114.53 1uf2 h LEU 642 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1uf2 h LEU 642 Cb 0.08 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1uf2 h LEU 642 CO 0.00 -0.74 -0.03 0.15 -0.34 0.00 0.00 178.44 177.48 1uf2 h PHE 643 N -1.22 0.00 -0.24 1.25 3.57 -1.74 -1.42 116.94 117.14 1uf2 h PHE 643 Ca -0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1uf2 h PHE 643 Cb 0.93 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1uf2 h PHE 643 CO 0.03 0.03 0.06 0.78 -2.23 0.00 0.00 178.31 176.98 1uf2 h GLY 644 N 0.95 0.42 0.84 2.40 0.00 -1.36 1.17 103.07 107.48 1uf2 h GLY 644 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1uf2 h GLY 644 CO 0.00 0.24 0.03 -2.08 0.00 0.00 0.00 176.54 174.73 1uf2 h VAL 645 N 0.22 1.16 0.00 4.60 2.07 -0.07 -1.24 116.25 122.99 1uf2 h VAL 645 Ca 0.08 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1uf2 h VAL 645 Cb 0.27 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1uf2 h VAL 645 CO 0.00 0.14 -0.19 -0.26 0.02 0.00 0.00 177.57 177.27 1uf2 h PHE 646 N -0.06 0.00 0.00 1.57 -1.00 -1.30 -3.40 116.94 112.75 1uf2 h PHE 646 Ca 0.02 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.64 1uf2 h PHE 646 Cb 0.19 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1uf2 h PHE 646 CO -0.01 0.09 -1.76 0.41 -1.61 0.00 0.00 178.31 175.43 1uf2 n GLY 647 N 1.13 -0.59 3.74 -1.45 0.00 0.40 -4.93 105.19 103.51 1uf2 n GLY 647 Ca 0.03 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1uf2 n GLY 647 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uf2 s ILE 648 N -2.44 2.55 -0.32 -0.61 1.01 -0.47 -1.52 121.20 119.39 1uf2 s ILE 648 Ca -0.06 0.46 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 1uf2 s ILE 648 Cb 0.05 -3.29 0.06 0.00 0.01 0.00 0.00 42.46 39.29 1uf2 s ILE 648 CO 0.50 0.07 0.04 -0.69 0.00 0.00 0.00 174.94 174.86 1uf2 s VAL 649 N 0.05 2.99 0.91 2.92 1.01 0.17 -4.81 120.40 123.65 1uf2 s VAL 649 Ca 0.61 -1.57 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1uf2 s VAL 649 Cb -0.43 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.22 1uf2 s VAL 649 CO 0.44 -0.24 0.79 -2.65 0.00 0.00 0.00 175.10 173.43 1uf2 n PRO 650 N 4.59 -0.27 -0.02 2.72 -0.02 -1.26 -4.47 135.00 136.27 1uf2 n PRO 650 Ca -0.10 -0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.37 1uf2 n PRO 650 Cb 0.43 -2.12 0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1uf2 n PRO 650 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1uf2 n GLN 651 N -2.81 0.71 -3.78 -0.52 1.13 -1.26 -5.01 117.38 105.84 1uf2 n GLN 651 Ca 0.10 -1.02 -0.29 0.00 -1.94 0.00 0.00 57.00 53.85 1uf2 n GLN 651 Cb 0.52 -1.05 0.01 0.00 0.11 0.00 0.00 30.24 29.83 1uf2 n GLN 651 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1uf2 n TYR 652 N -0.01 -1.37 0.00 1.08 4.02 -1.26 -4.90 117.16 114.72 1uf2 n TYR 652 Ca 0.02 0.36 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 1uf2 n TYR 652 Cb 0.15 -2.21 0.00 0.00 -0.02 0.00 0.00 39.34 37.26 1uf2 n TYR 652 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1uf2 n GLN 653 N -3.23 0.00 -3.70 -0.72 0.00 -1.26 -5.11 117.38 103.35 1uf2 n GLN 653 Ca -0.18 0.00 -0.37 0.00 -0.00 0.00 0.00 57.00 56.45 1uf2 n GLN 653 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.64 1uf2 n GLN 653 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1uf2 s ILE 654 N -1.40 4.89 -1.27 1.69 1.09 -1.26 -4.99 121.20 119.95 1uf2 s ILE 654 Ca 0.00 0.02 -0.09 0.00 -1.10 0.00 0.00 60.65 59.48 1uf2 s ILE 654 Cb 0.00 -3.30 0.17 0.00 -1.06 0.00 0.00 42.46 38.28 1uf2 s ILE 654 CO 0.00 0.32 1.86 -0.11 -0.10 0.00 0.00 174.94 176.90 1uf2 n LEU 655 N 4.76 6.65 -2.56 2.97 7.94 -1.26 -4.88 117.00 130.62 1uf2 n LEU 655 Ca -0.15 -4.68 -0.16 0.00 -1.11 0.00 0.00 56.01 49.92 1uf2 n LEU 655 Cb 0.52 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.92 1uf2 n LEU 655 CO 0.33 1.40 1.82 0.59 -1.11 0.00 0.00 177.39 180.41 1uf2 n ASN 656 N 3.73 4.60 0.20 1.96 3.02 -1.26 -4.46 115.26 123.05 1uf2 n ASN 656 Ca 0.39 -2.27 0.07 0.00 -0.03 0.00 0.00 54.58 52.74 1uf2 n ASN 656 Cb 0.36 -1.09 0.35 0.00 -0.61 0.00 0.00 39.78 38.80 1uf2 n ASN 656 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1uf2 h GLU 657 N 4.67 0.00 -7.78 3.52 5.08 -1.96 -3.46 114.58 114.65 1uf2 h GLU 657 Ca 0.32 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.24 1uf2 h GLU 657 Cb 0.73 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.17 1uf2 h GLU 657 CO 0.78 0.33 0.36 0.00 -1.00 0.00 0.00 179.01 179.49 1uf2 s ALA 658 N -3.58 1.79 -0.07 3.43 0.00 -1.26 -5.10 121.76 116.97 1uf2 s ALA 658 Ca 0.01 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 1uf2 s ALA 658 Cb 0.10 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1uf2 s ALA 658 CO 0.67 -2.87 0.17 0.08 0.00 0.00 0.00 175.76 173.82 1uf2 s VAL 659 N -3.76 -0.02 0.53 0.00 1.01 -1.26 -4.73 120.40 112.15 1uf2 s VAL 659 Ca 0.76 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.62 1uf2 s VAL 659 Cb -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 1uf2 s VAL 659 CO 0.54 0.04 1.19 -2.16 0.00 0.00 0.00 175.10 174.71 1uf2 s PRO 660 N 0.67 3.36 -0.59 2.72 0.04 -1.20 -4.78 135.00 135.22 1uf2 s PRO 660 Ca -0.05 1.79 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1uf2 s PRO 660 Cb -0.06 -2.14 0.41 0.00 0.04 0.00 0.00 34.50 32.75 1uf2 s PRO 660 CO -0.03 -0.88 1.63 -3.47 0.04 0.00 0.00 177.00 174.28 1uf2 n ASP 661 N -1.08 6.34 -0.21 6.66 -0.08 -1.26 -4.87 116.55 122.04 1uf2 n ASP 661 Ca 0.11 -3.78 0.17 0.00 -1.51 0.00 0.00 54.79 49.78 1uf2 n ASP 661 Cb 0.49 -0.75 0.28 0.00 2.34 0.00 0.00 41.12 43.48 1uf2 n ASP 661 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1uf2 n PHE 662 N -0.64 0.20 0.75 -0.67 7.35 -1.26 -1.84 117.46 121.35 1uf2 n PHE 662 Ca 0.50 0.21 0.09 0.00 -0.76 0.00 0.00 57.45 57.49 1uf2 n PHE 662 Cb 0.58 -0.52 0.07 0.00 0.35 0.00 0.00 39.48 39.96 1uf2 n PHE 662 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1uf2 n PHE 663 N -3.25 0.00 -2.06 -5.13 3.01 -1.26 -1.25 117.46 107.52 1uf2 n PHE 663 Ca 0.16 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.27 1uf2 n PHE 663 Cb 0.65 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.14 1uf2 n PHE 663 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uf2 s ALA 664 N -1.53 2.59 0.00 4.37 0.00 -0.77 -4.19 121.76 122.22 1uf2 s ALA 664 Ca 0.21 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1uf2 s ALA 664 Cb 0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1uf2 s ALA 664 CO 0.24 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1uf2 n GLY 665 N 0.04 0.66 0.17 0.00 0.00 -1.26 -4.89 105.19 99.91 1uf2 n GLY 665 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1uf2 n GLY 665 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uf2 h GLY 666 N 0.00 0.00 -0.30 -0.02 0.00 -2.01 -3.38 103.07 97.35 1uf2 h GLY 666 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1uf2 h GLY 666 CO 0.00 0.00 -0.13 1.18 0.00 0.00 0.00 176.54 177.59 1uf2 n GLU 667 N -3.31 -0.08 0.01 4.80 4.71 -1.26 0.11 120.64 125.61 1uf2 n GLU 667 Ca 0.01 0.47 -0.13 0.00 -0.01 0.00 0.00 57.16 57.50 1uf2 n GLU 667 Cb 0.60 -0.69 -0.09 0.00 -1.01 0.00 0.00 31.44 30.25 1uf2 n GLU 667 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1uf2 h ASP 668 N 0.00 -0.02 -0.04 1.62 3.32 -1.97 -2.93 116.42 116.41 1uf2 h ASP 668 Ca 0.10 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 56.87 1uf2 h ASP 668 Cb 0.17 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 1uf2 h ASP 668 CO -0.30 0.30 -0.42 0.40 -1.72 0.00 0.00 179.24 177.50 1uf2 h ILE 669 N -0.34 0.15 -0.82 0.35 5.03 -0.60 -0.66 117.51 120.62 1uf2 h ILE 669 Ca -0.00 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.87 1uf2 h ILE 669 Cb 0.33 0.15 -0.14 0.00 -3.03 0.00 0.00 36.82 34.12 1uf2 h ILE 669 CO 0.00 0.00 -0.35 0.25 -0.68 0.00 0.00 178.15 177.37 1uf2 h LEU 670 N -0.55 -1.26 -0.38 1.44 5.85 -1.30 0.56 115.31 119.66 1uf2 h LEU 670 Ca 0.05 0.27 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1uf2 h LEU 670 Cb 0.65 0.66 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1uf2 h LEU 670 CO -0.34 -0.29 0.24 0.40 -0.34 0.00 0.00 178.44 178.10 1uf2 h ILE 671 N -0.07 1.07 -0.44 4.05 2.04 -1.17 0.87 117.51 123.86 1uf2 h ILE 671 Ca 0.31 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1uf2 h ILE 671 Cb 0.58 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1uf2 h ILE 671 CO -0.86 0.09 0.28 -0.07 0.00 0.00 0.00 178.15 177.60 1uf2 h LEU 672 N 0.49 0.48 -0.89 1.44 3.38 0.67 0.29 115.31 121.17 1uf2 h LEU 672 Ca 0.15 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1uf2 h LEU 672 Cb -0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1uf2 h LEU 672 CO -0.05 0.35 0.54 -0.61 0.09 0.00 0.00 178.44 178.76 1uf2 h GLN 673 N 0.58 0.92 -0.09 1.13 4.15 0.77 -0.17 115.11 122.39 1uf2 h GLN 673 Ca 0.16 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1uf2 h GLN 673 Cb -0.05 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.44 1uf2 h GLN 673 CO -0.05 0.61 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.18 1uf2 h LEU 674 N 0.95 0.35 -0.73 -2.39 3.38 -0.33 -1.85 115.31 114.69 1uf2 h LEU 674 Ca 0.41 -0.58 0.16 0.00 0.09 0.00 0.00 57.88 57.96 1uf2 h LEU 674 Cb 0.27 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 1uf2 h LEU 674 CO -0.21 0.86 0.19 0.40 0.09 0.00 0.00 178.44 179.77 1uf2 h ILE 675 N -0.14 0.53 -0.32 1.22 2.04 0.26 0.23 117.51 121.33 1uf2 h ILE 675 Ca -0.00 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1uf2 h ILE 675 Cb 0.81 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1uf2 h ILE 675 CO 0.05 0.05 0.03 -0.09 0.00 0.00 0.00 178.15 178.19 1uf2 h ARG 676 N 0.28 0.55 -0.13 2.37 9.65 -0.99 -2.38 114.38 123.73 1uf2 h ARG 676 Ca 0.41 -0.16 -0.07 0.00 -1.10 0.00 0.00 59.98 59.06 1uf2 h ARG 676 Cb 0.69 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1uf2 h ARG 676 CO -0.50 0.66 -0.22 0.00 2.80 0.00 0.00 179.97 182.71 1uf2 h ALA 677 N 0.87 1.38 -0.02 2.80 0.00 -0.25 -2.47 119.26 121.57 1uf2 h ALA 677 Ca 0.10 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1uf2 h ALA 677 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1uf2 h ALA 677 CO 0.01 0.43 -0.76 0.28 0.00 0.00 0.00 179.25 179.21 1uf2 h VAL 678 N 0.21 1.46 -0.88 0.00 2.07 -0.53 -2.19 116.25 116.39 1uf2 h VAL 678 Ca 0.04 -2.38 0.05 0.00 0.82 0.00 0.00 66.70 65.23 1uf2 h VAL 678 Cb 0.52 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 1uf2 h VAL 678 CO 0.04 0.69 0.56 0.22 0.02 0.00 0.00 177.57 179.10 1uf2 h TYR 679 N 0.12 1.04 0.60 1.57 3.20 -0.97 -1.10 116.97 121.43 1uf2 h TYR 679 Ca -0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1uf2 h TYR 679 Cb 1.34 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 39.27 1uf2 h TYR 679 CO 0.02 0.56 -0.29 -0.44 -1.64 0.00 0.00 178.16 176.37 1uf2 h ASP 680 N 1.05 -0.68 -0.72 -2.11 5.19 -1.31 -0.62 116.42 117.22 1uf2 h ASP 680 Ca 0.37 -0.02 0.21 0.00 -0.62 0.00 0.00 57.03 56.97 1uf2 h ASP 680 Cb 0.10 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 1uf2 h ASP 680 CO -0.15 -0.30 0.64 0.00 -3.12 0.00 0.00 179.24 176.31 1uf2 h THR 681 N -1.13 0.38 0.02 0.35 1.03 -1.10 0.58 112.91 113.04 1uf2 h THR 681 Ca -0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.32 1uf2 h THR 681 Cb 0.66 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1uf2 h THR 681 CO 0.13 0.00 -0.01 -0.07 -0.01 0.00 0.00 175.52 175.57 1uf2 h LEU 682 N 0.00 -0.02 0.23 0.00 3.38 -1.08 -3.29 115.31 114.52 1uf2 h LEU 682 Ca 0.34 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1uf2 h LEU 682 Cb 1.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 1uf2 h LEU 682 CO -0.00 0.78 -0.24 0.28 0.09 0.00 0.00 178.44 179.34 1uf2 h SER 683 N -0.98 -0.65 -0.79 -0.43 0.02 0.78 -1.69 113.55 109.81 1uf2 h SER 683 Ca -0.00 0.06 0.17 0.00 -0.84 0.00 0.00 61.79 61.18 1uf2 h SER 683 Cb 0.65 0.23 -0.15 0.00 0.14 0.00 0.00 62.40 63.27 1uf2 h SER 683 CO 0.00 -0.35 -0.10 0.78 -1.14 0.00 0.00 176.83 176.02 1uf2 h ASN 684 N -0.51 -0.57 0.26 3.07 2.35 -0.14 0.19 115.58 120.23 1uf2 h ASN 684 Ca -0.00 0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1uf2 h ASN 684 Cb 0.48 0.43 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1uf2 h ASN 684 CO -0.06 -0.24 -0.40 0.11 -1.65 0.00 0.00 177.43 175.19 1uf2 h LYS 685 N 0.04 0.19 0.00 0.81 1.57 -1.56 -2.52 116.57 115.09 1uf2 h LYS 685 Ca 0.41 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1uf2 h LYS 685 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1uf2 h LYS 685 CO -0.76 0.57 0.00 -0.07 -0.57 0.00 0.00 179.45 178.61 1uf2 h LEU 686 N 0.16 0.00 0.00 2.94 3.38 0.27 -3.46 115.31 118.59 1uf2 h LEU 686 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uf2 h LEU 686 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1uf2 h LEU 686 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1uf2 n GLY 687 N 0.33 0.47 3.67 0.83 0.00 -0.50 -4.94 105.19 105.05 1uf2 n GLY 687 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1uf2 n GLY 687 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uf2 s ARG 688 N -0.53 0.76 -0.14 1.61 1.70 -1.24 -5.06 118.95 116.05 1uf2 s ARG 688 Ca 0.00 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 54.57 1uf2 s ARG 688 Cb 0.00 0.27 -0.06 0.00 -0.57 0.00 0.00 34.95 34.59 1uf2 s ARG 688 CO 0.00 -0.35 2.05 1.21 -1.08 0.00 0.00 175.30 177.14 1uf2 s ASN 689 N -2.86 5.91 0.43 -2.89 3.84 -1.26 -4.75 114.94 113.35 1uf2 s ASN 689 Ca 0.12 2.10 0.29 0.00 0.21 0.00 0.00 52.86 55.59 1uf2 s ASN 689 Cb 0.01 -2.52 1.40 0.00 -0.55 0.00 0.00 41.25 39.60 1uf2 s ASN 689 CO -0.02 -1.57 1.63 1.55 -2.79 0.00 0.00 177.10 175.91 1uf2 h PRO 690 N 13.00 0.10 0.00 0.43 0.13 -1.95 0.34 132.00 144.06 1uf2 h PRO 690 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1uf2 h PRO 690 Cb 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1uf2 h PRO 690 CO 0.96 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 1uf2 n ALA 691 N -2.52 1.86 0.10 -0.56 0.00 -1.26 -0.93 120.51 117.20 1uf2 n ALA 691 Ca 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 1uf2 n ALA 691 Cb 1.39 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 1uf2 n ALA 691 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1uf2 h ASP 692 N 0.00 0.00 0.00 0.00 3.32 -0.69 -3.38 116.42 115.68 1uf2 h ASP 692 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uf2 h ASP 692 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1uf2 h ASP 692 CO 0.00 0.76 0.00 2.30 -1.72 0.00 0.00 179.24 180.58 1uf2 n ILE 693 N -3.38 0.00 -4.36 0.35 -5.35 -0.88 -5.08 119.36 100.66 1uf2 n ILE 693 Ca 0.00 -0.23 -0.24 0.00 -0.27 0.00 0.00 62.75 62.02 1uf2 n ILE 693 Cb 0.81 1.51 -0.13 0.00 -1.74 0.00 0.00 39.64 40.08 1uf2 n ILE 693 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1uf2 s PHE 694 N -0.03 1.77 0.32 4.28 2.99 -0.10 -5.12 117.98 122.09 1uf2 s PHE 694 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 56.93 56.29 1uf2 s PHE 694 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 43.02 41.93 1uf2 s PHE 694 CO 0.00 0.17 0.89 -1.01 -0.00 0.00 0.00 175.22 175.27 1uf2 s HIS 695 N -1.08 3.60 0.26 0.36 3.76 -1.26 -4.47 115.29 116.47 1uf2 s HIS 695 Ca 0.06 1.65 -0.01 0.00 -0.15 0.00 0.00 55.06 56.61 1uf2 s HIS 695 Cb -0.10 -2.83 0.53 0.00 1.11 0.00 0.00 32.58 31.30 1uf2 s HIS 695 CO 0.04 0.18 1.75 -0.07 -0.85 0.00 0.00 174.74 175.79 1uf2 h LEU 696 N 2.97 0.49 -1.54 0.89 4.07 -1.96 0.83 115.31 121.06 1uf2 h LEU 696 Ca -0.47 0.10 0.28 0.00 0.08 0.00 0.00 57.88 57.86 1uf2 h LEU 696 Cb 1.19 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.87 1uf2 h LEU 696 CO 0.64 0.20 0.70 -0.33 -1.08 0.00 0.00 178.44 178.57 1uf2 h GLU 697 N 0.59 0.28 0.13 1.13 3.07 -1.99 0.35 114.58 118.15 1uf2 h GLU 697 Ca 0.46 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 1uf2 h GLU 697 Cb 0.67 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1uf2 h GLU 697 CO -0.38 0.18 -0.06 0.93 -1.40 0.00 0.00 179.01 178.28 1uf2 h GLU 698 N 0.29 -0.17 -0.95 2.33 5.08 -1.21 -2.72 114.58 117.21 1uf2 h GLU 698 Ca 0.57 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 59.01 1uf2 h GLU 698 Cb 1.66 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.89 1uf2 h GLU 698 CO -0.22 0.29 0.62 0.28 -1.00 0.00 0.00 179.01 178.98 1uf2 h VAL 699 N -0.78 1.09 -0.50 3.13 2.07 -0.80 -2.28 116.25 118.18 1uf2 h VAL 699 Ca -0.02 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1uf2 h VAL 699 Cb 0.54 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1uf2 h VAL 699 CO 0.03 0.20 0.08 -0.26 0.02 0.00 0.00 177.57 177.65 1uf2 h PHE 700 N 1.11 0.88 -0.74 1.57 -1.00 -0.44 -1.70 116.94 116.62 1uf2 h PHE 700 Ca 0.41 -0.12 0.05 0.00 2.81 0.00 0.00 57.97 61.11 1uf2 h PHE 700 Cb 0.17 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 1uf2 h PHE 700 CO -0.00 0.80 0.49 -0.22 -1.61 0.00 0.00 178.31 177.77 1uf2 h LYS 701 N 0.71 0.83 0.19 1.51 3.64 -1.08 0.35 116.57 122.72 1uf2 h LYS 701 Ca 0.15 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1uf2 h LYS 701 Cb 0.39 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1uf2 h LYS 701 CO 0.01 0.55 -0.09 0.28 -2.27 0.00 0.00 179.45 177.93 1uf2 h VAL 702 N 0.86 0.82 -0.99 2.00 2.07 -1.32 -2.10 116.25 117.58 1uf2 h VAL 702 Ca 0.31 -1.02 0.19 0.00 0.82 0.00 0.00 66.70 67.00 1uf2 h VAL 702 Cb 0.14 1.33 -0.10 0.00 -1.52 0.00 0.00 31.29 31.14 1uf2 h VAL 702 CO -0.10 0.20 0.61 0.40 0.02 0.00 0.00 177.57 178.71 1uf2 h ILE 703 N -0.84 0.70 0.51 4.57 2.04 -0.91 -1.52 117.51 122.07 1uf2 h ILE 703 Ca -0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1uf2 h ILE 703 Cb 0.52 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1uf2 h ILE 703 CO 0.04 0.13 -0.24 -0.33 0.00 0.00 0.00 178.15 177.75 1uf2 h GLU 704 N 0.69 -0.65 -0.86 2.37 5.08 -0.24 -0.56 114.58 120.40 1uf2 h GLU 704 Ca 0.55 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 59.18 1uf2 h GLU 704 Cb 0.96 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 1uf2 h GLU 704 CO -0.33 -0.44 0.17 0.93 -1.00 0.00 0.00 179.01 178.34 1uf2 h GLU 705 N -0.72 0.16 0.15 2.33 5.08 -0.79 0.25 114.58 121.05 1uf2 h GLU 705 Ca -0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1uf2 h GLU 705 Cb 0.52 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1uf2 h GLU 705 CO 0.11 0.11 -0.07 0.82 -1.00 0.00 0.00 179.01 178.98 1uf2 h ILE 706 N 0.17 0.95 -0.63 3.13 2.04 -1.23 -1.82 117.51 120.12 1uf2 h ILE 706 Ca 0.53 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1uf2 h ILE 706 Cb 1.04 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 1uf2 h ILE 706 CO -0.68 0.11 0.32 0.58 0.00 0.00 0.00 178.15 178.49 1uf2 h VAL 707 N -0.44 0.91 -0.57 1.67 2.07 -0.01 -2.05 116.25 117.84 1uf2 h VAL 707 Ca -0.02 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1uf2 h VAL 707 Cb 0.34 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1uf2 h VAL 707 CO 0.03 0.11 0.12 0.28 0.02 0.00 0.00 177.57 178.13 1uf2 h SER 708 N 0.59 -0.01 -0.43 0.57 0.02 -0.31 0.13 113.55 114.11 1uf2 h SER 708 Ca 0.29 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.30 1uf2 h SER 708 Cb 0.24 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1uf2 h SER 708 CO -0.21 0.01 0.09 0.58 -1.14 0.00 0.00 176.83 176.16 1uf2 h VAL 709 N 0.25 1.22 0.00 2.27 2.07 -0.67 0.59 116.25 121.98 1uf2 h VAL 709 Ca 0.30 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1uf2 h VAL 709 Cb 0.43 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1uf2 h VAL 709 CO -0.39 0.30 -0.31 -0.07 0.02 0.00 0.00 177.57 177.13 1uf2 h LEU 710 N 0.74 0.00 0.00 2.57 3.38 -0.39 -3.26 115.31 118.35 1uf2 h LEU 710 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1uf2 h LEU 710 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1uf2 h LEU 710 CO 0.00 0.31 -0.92 0.52 0.09 0.00 0.00 178.44 178.44 1uf2 n VAL 711 N -3.96 0.00 -3.32 1.22 0.31 -0.56 -5.02 118.33 106.99 1uf2 n VAL 711 Ca -0.02 -0.25 -0.17 0.00 -0.01 0.00 0.00 64.34 63.89 1uf2 n VAL 711 Cb 0.37 0.68 0.07 0.00 -0.91 0.00 0.00 33.84 34.05 1uf2 n VAL 711 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uf2 n GLN 712 N -1.51 -2.25 -3.60 5.55 6.02 0.20 -5.01 117.38 116.78 1uf2 n GLN 712 Ca 0.00 0.81 -0.10 0.00 -0.01 0.00 0.00 57.00 57.70 1uf2 n GLN 712 Cb 0.21 -5.59 -0.06 0.00 1.02 0.00 0.00 30.24 25.83 1uf2 n GLN 712 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1uf2 s GLN 713 N -4.66 0.59 -0.05 -1.09 0.74 -1.21 -5.08 119.66 108.89 1uf2 s GLN 713 Ca 0.45 0.32 -0.30 0.00 0.05 0.00 0.00 55.36 55.88 1uf2 s GLN 713 Cb -0.07 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.28 1uf2 s GLN 713 CO 0.76 -0.15 1.23 0.15 -0.55 0.00 0.00 175.29 176.73 1uf2 s LYS 714 N -0.62 4.33 0.10 1.67 1.02 -1.26 -4.50 119.74 120.49 1uf2 s LYS 714 Ca -0.00 1.71 0.04 0.00 0.02 0.00 0.00 55.97 57.74 1uf2 s LYS 714 Cb -0.02 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1uf2 s LYS 714 CO -0.01 -0.48 0.06 0.42 -0.92 0.00 0.00 175.35 174.42 1uf2 s ILE 715 N 2.32 4.34 -0.40 2.17 1.09 -1.26 -5.07 121.20 124.39 1uf2 s ILE 715 Ca 0.57 -0.91 0.01 0.00 -1.10 0.00 0.00 60.65 59.22 1uf2 s ILE 715 Cb -0.25 -3.11 0.14 0.00 -1.06 0.00 0.00 42.46 38.17 1uf2 s ILE 715 CO 0.22 0.07 0.23 -0.62 -0.10 0.00 0.00 174.94 174.74 1uf2 s ASP 716 N -2.51 3.31 0.23 3.58 2.15 -1.26 -4.96 116.67 117.20 1uf2 s ASP 716 Ca 0.28 -2.42 -0.09 0.00 0.43 0.00 0.00 52.55 50.76 1uf2 s ASP 716 Cb -0.12 -0.72 0.35 0.00 -0.30 0.00 0.00 42.92 42.13 1uf2 s ASP 716 CO 0.21 -0.29 1.65 0.58 -0.17 0.00 0.00 175.17 177.15 1uf2 h VAL 717 N 5.14 0.41 -0.81 1.11 2.07 -1.98 -2.89 116.25 119.30 1uf2 h VAL 717 Ca 0.03 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1uf2 h VAL 717 Cb 0.95 0.30 -0.15 0.00 -1.52 0.00 0.00 31.29 30.87 1uf2 h VAL 717 CO 0.38 0.02 -0.20 0.03 0.02 0.00 0.00 177.57 177.82 1uf2 h ARG 718 N 0.10 0.00 -0.45 1.57 3.08 -1.95 -2.40 114.38 114.33 1uf2 h ARG 718 Ca 0.36 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.54 1uf2 h ARG 718 Cb 0.61 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1uf2 h ARG 718 CO -0.60 0.00 0.36 1.57 -1.07 0.00 0.00 179.97 180.23 1uf2 h LYS 719 N 0.00 0.00 0.00 0.04 2.10 -1.88 -1.75 116.57 115.08 1uf2 h LYS 719 Ca 0.39 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.01 1uf2 h LYS 719 Cb 0.59 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1uf2 h LYS 719 CO -0.83 0.00 -0.14 1.88 -2.00 0.00 0.00 179.45 178.36 1uf2 h TYR 720 N 0.00 0.00 -3.42 0.07 -1.99 -1.61 -3.39 116.97 106.63 1uf2 h TYR 720 Ca 0.21 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.27 1uf2 h TYR 720 Cb 0.94 0.00 -0.37 0.00 2.00 0.00 0.00 36.73 39.29 1uf2 h TYR 720 CO 0.00 0.14 -0.38 -0.06 -0.00 0.00 0.00 178.16 177.86 1uf2 s PHE 721 N -3.72 3.48 0.28 4.88 0.40 -0.66 -4.27 117.98 118.37 1uf2 s PHE 721 Ca 0.00 -2.94 0.06 0.00 -0.60 0.00 0.00 56.93 53.45 1uf2 s PHE 721 Cb 0.10 -3.08 -0.06 0.00 0.51 0.00 0.00 43.02 40.49 1uf2 s PHE 721 CO 0.60 -0.76 -0.05 0.95 0.70 0.00 0.00 175.22 176.66 1uf2 s THR 722 N -0.55 1.55 0.21 0.64 -4.23 -1.26 -1.89 115.64 110.10 1uf2 s THR 722 Ca 0.20 -2.11 0.24 0.00 -1.18 0.00 0.00 61.69 58.85 1uf2 s THR 722 Cb -0.17 -2.45 0.24 0.00 1.34 0.00 0.00 72.50 71.46 1uf2 s THR 722 CO -0.06 -0.29 1.88 -0.33 -0.54 0.00 0.00 174.62 175.27 1uf2 h GLU 723 N 2.29 0.00 -2.04 3.99 4.39 -1.87 -3.43 114.58 117.92 1uf2 h GLU 723 Ca -0.40 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.54 1uf2 h GLU 723 Cb 1.23 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 1uf2 h GLU 723 CO 0.67 0.22 0.63 -1.54 -1.16 0.00 0.00 179.01 177.83 1uf2 s SER 724 N -6.21 -0.11 0.51 1.42 1.04 -1.26 -4.96 113.70 104.13 1uf2 s SER 724 Ca -0.00 -0.33 0.23 0.00 0.48 0.00 0.00 55.95 56.32 1uf2 s SER 724 Cb 0.11 0.37 1.39 0.00 0.10 0.00 0.00 66.02 67.98 1uf2 s SER 724 CO 0.63 -0.68 2.09 0.24 0.98 0.00 0.00 173.24 176.50 1uf2 h MET 725 N 2.00 0.00 0.00 4.02 2.86 -1.88 -3.29 114.93 118.64 1uf2 h MET 725 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1uf2 h MET 725 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1uf2 h MET 725 CO 0.28 0.11 0.00 -2.13 1.06 0.00 0.00 176.91 176.22 1uf2 n ARG 726 N -3.95 0.00 -2.81 1.72 0.63 -1.26 -4.76 116.66 106.23 1uf2 n ARG 726 Ca -0.02 0.49 -0.33 0.00 -0.92 0.00 0.00 57.85 57.06 1uf2 n ARG 726 Cb 0.20 -1.39 -0.07 0.00 0.45 0.00 0.00 32.46 31.65 1uf2 n ARG 726 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1uf2 s SER 727 N -2.19 6.95 0.00 6.15 1.04 -1.24 -4.96 113.70 119.44 1uf2 s SER 727 Ca 0.00 1.70 0.22 0.00 0.48 0.00 0.00 55.95 58.36 1uf2 s SER 727 Cb 0.00 -2.54 0.52 0.00 0.10 0.00 0.00 66.02 64.10 1uf2 s SER 727 CO 0.00 -0.35 1.46 0.61 0.98 0.00 0.00 173.24 175.93 1uf2 n GLY 728 N -0.56 1.83 3.70 7.32 0.00 -1.26 -4.68 105.19 111.54 1uf2 n GLY 728 Ca 0.07 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1uf2 n GLY 728 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uf2 s SER 729 N -1.31 7.20 0.75 1.61 0.15 -1.26 -4.97 113.70 115.88 1uf2 s SER 729 Ca 0.41 1.71 -0.15 0.00 0.70 0.00 0.00 55.95 58.62 1uf2 s SER 729 Cb 0.23 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1uf2 s SER 729 CO 0.31 -0.44 0.93 0.33 1.20 0.00 0.00 173.24 175.57 1uf2 n PHE 730 N 4.61 0.49 -3.56 3.44 7.35 -1.26 -4.32 117.46 124.21 1uf2 n PHE 730 Ca 0.09 0.38 -0.27 0.00 -0.76 0.00 0.00 57.45 56.89 1uf2 n PHE 730 Cb 0.48 -2.05 -0.15 0.00 0.35 0.00 0.00 39.48 38.11 1uf2 n PHE 730 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1uf2 s SER 731 N -1.73 2.95 0.20 -2.13 0.15 -0.79 -4.91 113.70 107.43 1uf2 s SER 731 Ca 0.71 -0.98 -0.12 0.00 0.70 0.00 0.00 55.95 56.26 1uf2 s SER 731 Cb -0.33 -0.25 0.23 0.00 -1.71 0.00 0.00 66.02 63.96 1uf2 s SER 731 CO 0.52 -0.40 1.68 0.50 1.20 0.00 0.00 173.24 176.75 1uf2 h LYS 732 N 8.40 0.14 -0.92 5.44 3.64 -1.96 -0.65 116.57 130.68 1uf2 h LYS 732 Ca -0.18 -0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.46 1uf2 h LYS 732 Cb 1.07 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1uf2 h LYS 732 CO 0.38 0.10 0.66 -1.00 -2.27 0.00 0.00 179.45 177.31 1uf2 h PRO 733 N 0.15 0.01 0.13 1.90 0.13 -1.97 0.60 132.00 132.95 1uf2 h PRO 733 Ca 0.28 -0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.13 1uf2 h PRO 733 Cb 0.42 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1uf2 h PRO 733 CO -0.43 0.01 -1.29 0.00 -0.23 0.00 0.00 178.00 176.05 1uf2 h ARG 734 N 0.01 0.27 -0.65 0.86 2.47 -1.47 -2.21 114.38 113.67 1uf2 h ARG 734 Ca 0.44 -0.47 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 1uf2 h ARG 734 Cb 1.73 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 30.20 1uf2 h ARG 734 CO -0.01 1.21 0.06 2.35 0.56 0.00 0.00 179.97 184.14 1uf2 h TRP 735 N 0.07 1.18 0.52 3.04 2.91 -0.28 -1.87 115.95 121.52 1uf2 h TRP 735 Ca -0.15 -0.18 -0.02 0.00 1.13 0.00 0.00 58.89 59.67 1uf2 h TRP 735 Cb 1.98 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 30.31 1uf2 h TRP 735 CO 0.06 1.01 -0.35 -0.44 -1.03 0.00 0.00 178.44 177.69 1uf2 h ASP 736 N 1.01 -0.90 -0.26 2.65 5.19 0.05 -2.01 116.42 122.14 1uf2 h ASP 736 Ca 0.19 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.73 1uf2 h ASP 736 Cb 0.50 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1uf2 h ASP 736 CO 0.02 -0.54 0.21 0.78 -3.12 0.00 0.00 179.24 176.60 1uf2 h ASN 737 N -0.84 0.00 0.20 6.45 4.21 -1.22 0.21 115.58 124.59 1uf2 h ASN 737 Ca -0.06 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.35 1uf2 h ASN 737 Cb 0.70 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 1uf2 h ASN 737 CO 0.04 0.00 -0.38 0.15 -1.29 0.00 0.00 177.43 175.94 1uf2 h PHE 738 N 0.00 0.30 0.00 1.19 3.57 -0.64 -2.65 116.94 118.71 1uf2 h PHE 738 Ca 0.12 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1uf2 h PHE 738 Cb 0.55 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1uf2 h PHE 738 CO 0.00 0.61 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.18 1uf2 h LEU 739 N 0.22 0.00 0.00 0.59 3.38 -0.44 -3.26 115.31 115.81 1uf2 h LEU 739 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uf2 h LEU 739 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1uf2 h LEU 739 CO 0.06 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.13 1uf2 n ARG 740 N -2.90 0.02 -3.71 1.13 1.74 -0.65 -4.15 116.66 108.14 1uf2 n ARG 740 Ca 0.02 0.23 -0.37 0.00 -0.77 0.00 0.00 57.85 56.97 1uf2 n ARG 740 Cb 0.54 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1uf2 n ARG 740 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1uf2 s ARG 741 N -2.95 2.52 0.74 5.56 3.00 -1.23 -5.08 118.95 121.51 1uf2 s ARG 741 Ca 0.08 -2.43 -0.16 0.00 -1.00 0.00 0.00 55.73 52.22 1uf2 s ARG 741 Cb 0.10 -3.73 -0.01 0.00 0.00 0.00 0.00 34.95 31.31 1uf2 s ARG 741 CO 0.27 -1.16 0.73 -0.35 0.00 0.00 0.00 175.30 174.78 1uf2 n PRO 742 N 3.65 0.33 -1.63 5.12 -0.04 -1.26 -4.81 135.00 136.36 1uf2 n PRO 742 Ca 0.06 0.16 -0.50 0.00 -0.04 0.00 0.00 63.50 63.18 1uf2 n PRO 742 Cb 0.38 -2.02 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 1uf2 n PRO 742 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uf2 n VAL 743 N -2.58 0.42 -0.08 0.52 0.31 -1.26 -4.88 118.33 110.78 1uf2 n VAL 743 Ca 0.11 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1uf2 n VAL 743 Cb 0.50 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.61 1uf2 n VAL 743 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uf2 h ALA 744 N 10.01 0.11 -1.69 3.52 0.00 -2.02 -3.49 119.26 125.70 1uf2 h ALA 744 Ca -0.43 -0.74 -0.50 0.00 0.00 0.00 0.00 54.91 53.25 1uf2 h ALA 744 Cb 1.29 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 1uf2 h ALA 744 CO 0.97 0.47 -0.42 -0.65 0.00 0.00 0.00 179.25 179.62 1uf2 s GLN 745 N -2.21 2.60 0.37 0.00 -0.21 -1.26 -5.09 119.66 113.86 1uf2 s GLN 745 Ca -0.19 -1.44 -0.26 0.00 0.02 0.00 0.00 55.36 53.49 1uf2 s GLN 745 Cb 0.03 -2.40 -0.09 0.00 1.00 0.00 0.00 33.01 31.55 1uf2 s GLN 745 CO 0.40 -0.04 1.14 0.50 -2.12 0.00 0.00 175.29 175.17 1uf2 s ARG 746 N -4.04 4.21 0.54 2.91 3.52 -1.26 -4.97 118.95 119.85 1uf2 s ARG 746 Ca 0.44 1.80 -0.21 0.00 -0.13 0.00 0.00 55.73 57.63 1uf2 s ARG 746 Cb -0.04 -2.78 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 1uf2 s ARG 746 CO 0.27 -0.18 1.29 -1.17 -0.81 0.00 0.00 175.30 174.70 1uf2 s LEU 747 N -2.27 3.85 0.37 -0.88 2.96 -1.26 -4.90 118.68 116.54 1uf2 s LEU 747 Ca 0.54 2.61 -0.27 0.00 -0.22 0.00 0.00 54.13 56.79 1uf2 s LEU 747 Cb -0.30 -4.33 -0.12 0.00 0.50 0.00 0.00 46.19 41.95 1uf2 s LEU 747 CO 0.38 -1.45 1.26 -0.81 -1.32 0.00 0.00 176.35 174.41 1uf2 n PRO 748 N -1.03 2.00 -0.35 0.98 -0.04 -1.26 -4.47 135.00 130.83 1uf2 n PRO 748 Ca 0.10 0.70 0.06 0.00 -0.04 0.00 0.00 63.50 64.33 1uf2 n PRO 748 Cb 0.46 -2.31 0.14 0.00 -0.04 0.00 0.00 33.50 31.75 1uf2 n PRO 748 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1uf2 n ASN 749 N 0.60 -0.35 -0.18 3.54 2.85 -1.26 -1.59 115.26 118.87 1uf2 n ASN 749 Ca 0.06 1.66 -0.01 0.00 -0.11 0.00 0.00 54.58 56.18 1uf2 n ASN 749 Cb 0.37 -0.50 0.08 0.00 1.24 0.00 0.00 39.78 40.97 1uf2 n ASN 749 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1uf2 h LEU 750 N 0.00 -0.25 -0.04 1.20 5.85 -1.96 -1.84 115.31 118.26 1uf2 h LEU 750 Ca 0.46 0.14 -0.25 0.00 0.84 0.00 0.00 57.88 59.07 1uf2 h LEU 750 Cb 0.70 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1uf2 h LEU 750 CO -0.99 -0.10 -1.08 1.88 -0.34 0.00 0.00 178.44 177.81 1uf2 h TYR 751 N 0.11 0.57 -0.90 1.25 -1.99 -1.64 -3.19 116.97 111.19 1uf2 h TYR 751 Ca 0.29 -0.35 0.05 0.00 2.00 0.00 0.00 58.73 60.72 1uf2 h TYR 751 Cb 0.45 -0.05 -0.06 0.00 2.00 0.00 0.00 36.73 39.07 1uf2 h TYR 751 CO -0.34 1.21 0.57 1.03 -0.00 0.00 0.00 178.16 180.63 1uf2 h SER 752 N 0.16 0.91 0.19 3.88 0.87 -0.91 -0.88 113.55 117.77 1uf2 h SER 752 Ca -0.11 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1uf2 h SER 752 Cb 1.75 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1uf2 h SER 752 CO 0.18 0.60 -0.11 0.58 -0.53 0.00 0.00 176.83 177.55 1uf2 h VAL 753 N 1.06 0.77 -0.28 2.23 2.07 -1.39 0.20 116.25 120.91 1uf2 h VAL 753 Ca 0.38 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.96 1uf2 h VAL 753 Cb 0.12 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1uf2 h VAL 753 CO -0.16 0.00 -0.34 0.40 0.02 0.00 0.00 177.57 177.49 1uf2 h ILE 754 N -0.28 0.24 -0.21 4.57 1.08 -1.35 -0.70 117.51 120.86 1uf2 h ILE 754 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1uf2 h ILE 754 Cb 0.23 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1uf2 h ILE 754 CO 0.03 0.00 0.08 0.24 -0.69 0.00 0.00 178.15 177.81 1uf2 h MET 755 N -0.33 0.31 -0.95 2.37 2.86 -0.95 -1.48 114.93 116.75 1uf2 h MET 755 Ca 0.13 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 1uf2 h MET 755 Cb 0.55 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 1uf2 h MET 755 CO -0.46 0.38 0.59 1.15 1.06 0.00 0.00 176.91 179.63 1uf2 h THR 756 N 0.17 0.97 -0.15 2.22 2.02 -0.30 0.37 112.91 118.21 1uf2 h THR 756 Ca 0.07 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1uf2 h THR 756 Cb 0.19 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1uf2 h THR 756 CO -0.00 0.18 0.05 -0.61 0.37 0.00 0.00 175.52 175.51 1uf2 h GLN 757 N 1.00 0.23 -0.30 6.66 5.75 -0.89 -2.40 115.11 125.16 1uf2 h GLN 757 Ca 0.45 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.95 1uf2 h GLN 757 Cb 0.34 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 1uf2 h GLN 757 CO -0.23 0.35 -0.00 0.00 -2.65 0.00 0.00 178.83 176.30 1uf2 h ALA 758 N 0.87 0.27 -0.72 3.38 0.00 -0.30 -1.55 119.26 121.20 1uf2 h ALA 758 Ca 0.05 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1uf2 h ALA 758 Cb 0.21 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1uf2 h ALA 758 CO -0.00 -0.41 0.50 -0.44 0.00 0.00 0.00 179.25 178.90 1uf2 h ASP 759 N 0.09 0.18 -0.03 0.00 5.19 -0.74 0.47 116.42 121.58 1uf2 h ASP 759 Ca 0.14 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.45 1uf2 h ASP 759 Cb 0.19 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.69 1uf2 h ASP 759 CO -0.24 0.09 -0.41 0.45 -3.12 0.00 0.00 179.24 176.00 1uf2 h HIS 760 N 0.19 0.48 -0.22 4.55 3.86 -0.80 -2.13 115.15 121.08 1uf2 h HIS 760 Ca 0.35 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1uf2 h HIS 760 Cb 1.11 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 1uf2 h HIS 760 CO -0.00 1.02 0.14 0.28 0.86 0.00 0.00 177.93 180.23 1uf2 h VAL 761 N -0.20 1.07 -0.65 2.45 2.07 -0.45 0.11 116.25 120.64 1uf2 h VAL 761 Ca -0.04 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1uf2 h VAL 761 Cb 1.11 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1uf2 h VAL 761 CO 0.08 0.06 0.43 0.22 0.02 0.00 0.00 177.57 178.39 1uf2 h TYR 762 N 0.28 0.63 -0.11 1.57 3.20 -0.15 0.65 116.97 123.05 1uf2 h TYR 762 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1uf2 h TYR 762 Cb -0.02 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 1uf2 h TYR 762 CO -0.06 0.33 -0.03 -0.97 -1.64 0.00 0.00 178.16 175.79 1uf2 h ASN 763 N 0.62 0.22 0.68 -2.11 -1.24 -0.57 -0.99 115.58 112.19 1uf2 h ASN 763 Ca 0.29 -0.37 -0.03 0.00 0.71 0.00 0.00 56.30 56.90 1uf2 h ASN 763 Cb 0.33 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.32 1uf2 h ASN 763 CO -0.09 0.53 -0.33 0.22 -1.29 0.00 0.00 177.43 176.48 1uf2 h TYR 764 N -0.10 -0.85 -0.94 0.67 3.20 0.37 -2.48 116.97 116.85 1uf2 h TYR 764 Ca 0.03 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.14 1uf2 h TYR 764 Cb 0.44 0.28 -0.17 0.00 1.54 0.00 0.00 36.73 38.82 1uf2 h TYR 764 CO 0.05 -0.53 0.09 0.52 -1.64 0.00 0.00 178.16 176.66 1uf2 h MET 765 N -0.97 0.06 -0.74 1.82 2.86 0.20 0.53 114.93 118.68 1uf2 h MET 765 Ca -0.09 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1uf2 h MET 765 Cb 0.70 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 1uf2 h MET 765 CO 0.15 0.04 0.43 1.15 1.06 0.00 0.00 176.91 179.74 1uf2 h THR 766 N 0.06 0.97 0.00 2.22 2.02 -0.97 0.28 112.91 117.49 1uf2 h THR 766 Ca 0.58 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1uf2 h THR 766 Cb 1.20 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1uf2 h THR 766 CO -0.83 0.14 0.00 1.56 0.37 0.00 0.00 175.52 176.76 1uf2 h GLN 767 N 0.77 0.00 -0.01 6.66 1.08 0.52 -0.92 115.11 123.21 1uf2 h GLN 767 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1uf2 h GLN 767 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1uf2 h GLN 767 CO -0.19 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 178.97 1uf2 n LEU 768 N -2.77 0.11 -0.04 1.46 4.77 0.09 -3.54 117.00 117.08 1uf2 n LEU 768 Ca -0.01 -0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1uf2 n LEU 768 Cb 0.16 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1uf2 n LEU 768 CO 0.20 0.02 0.73 0.74 -1.33 0.00 0.00 177.39 177.75 1uf2 h THR 769 N 0.15 1.27 0.00 -5.08 2.02 -1.21 -2.50 112.91 107.55 1uf2 h THR 769 Ca 0.00 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1uf2 h THR 769 Cb 0.03 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1uf2 h THR 769 CO 0.00 0.42 0.00 1.41 0.37 0.00 0.00 175.52 177.72 1uf2 n HIS 770 N -4.12 0.00 -0.06 3.16 8.25 -1.23 -2.93 115.22 118.29 1uf2 n HIS 770 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1uf2 n HIS 770 Cb 0.41 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 1uf2 n HIS 770 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1uf2 n ILE 771 N -0.28 1.14 -1.40 1.59 2.08 -0.94 -5.02 119.36 116.53 1uf2 n ILE 771 Ca 0.00 -0.00 -0.38 0.00 0.56 0.00 0.00 62.75 62.93 1uf2 n ILE 771 Cb 0.06 -1.88 0.04 0.00 -0.75 0.00 0.00 39.64 37.12 1uf2 n ILE 771 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1uf2 n ILE 772 N -3.90 2.03 -1.64 1.39 -6.64 -1.15 -4.82 119.36 104.62 1uf2 n ILE 772 Ca -0.21 -0.47 -0.42 0.00 -1.77 0.00 0.00 62.75 59.88 1uf2 n ILE 772 Cb 0.53 -0.66 -0.02 0.00 -1.44 0.00 0.00 39.64 38.05 1uf2 n ILE 772 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1uf2 n PRO 773 N -0.12 2.32 -3.71 6.28 -0.04 -1.26 -4.89 135.00 133.58 1uf2 n PRO 773 Ca 0.11 -2.40 -0.22 0.00 -0.04 0.00 0.00 63.50 60.95 1uf2 n PRO 773 Cb 0.48 -3.21 -0.18 0.00 -0.04 0.00 0.00 33.50 30.55 1uf2 n PRO 773 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1uf2 s ILE 774 N 4.51 0.14 0.19 0.52 1.01 -1.26 -1.93 121.20 124.38 1uf2 s ILE 774 Ca 0.53 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.43 1uf2 s ILE 774 Cb 0.12 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1uf2 s ILE 774 CO 0.02 0.15 0.07 0.28 0.00 0.00 0.00 174.94 175.45 1uf2 s THR 775 N 2.06 4.03 -1.99 2.92 -1.32 -0.02 -4.98 115.64 116.35 1uf2 s THR 775 Ca 0.04 -1.35 0.02 0.00 -1.21 0.00 0.00 61.69 59.20 1uf2 s THR 775 Cb -0.13 -3.07 0.05 0.00 -1.51 0.00 0.00 72.50 67.85 1uf2 s THR 775 CO -0.05 -0.16 1.04 -0.90 -2.21 0.00 0.00 174.62 172.34 1uf2 n ASP 776 N -0.37 0.34 -3.63 8.08 5.68 -1.26 -1.71 116.55 123.67 1uf2 n ASP 776 Ca -0.09 -2.00 -0.03 0.00 -0.50 0.00 0.00 54.79 52.17 1uf2 n ASP 776 Cb 0.56 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 1uf2 n ASP 776 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uf2 s PHE 778 N -1.28 1.29 0.21 0.00 -0.12 -0.94 -4.87 117.98 112.26 1uf2 s PHE 778 Ca 0.08 -0.84 0.09 0.00 -0.05 0.00 0.00 56.93 56.21 1uf2 s PHE 778 Cb -0.01 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 1uf2 s PHE 778 CO -0.06 0.00 -0.05 0.71 -0.05 0.00 0.00 175.22 175.78 1uf2 s TYR 779 N -3.41 2.68 -0.17 3.49 1.51 -0.33 -1.23 117.35 119.89 1uf2 s TYR 779 Ca 0.20 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1uf2 s TYR 779 Cb 0.04 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1uf2 s TYR 779 CO 0.02 0.56 -0.16 0.42 -1.11 0.00 0.00 175.55 175.28 1uf2 s ILE 780 N -1.94 1.82 0.17 2.71 1.01 0.15 -1.25 121.20 123.86 1uf2 s ILE 780 Ca 0.28 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1uf2 s ILE 780 Cb -0.08 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1uf2 s ILE 780 CO 0.17 0.45 -0.14 0.68 0.00 0.00 0.00 174.94 176.10 1uf2 s VAL 781 N 1.37 1.54 0.23 2.92 -7.23 0.16 -0.78 120.40 118.62 1uf2 s VAL 781 Ca 0.04 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1uf2 s VAL 781 Cb -0.14 -1.89 0.09 0.00 0.56 0.00 0.00 36.38 35.00 1uf2 s VAL 781 CO -0.11 -0.57 1.71 0.50 -0.31 0.00 0.00 175.10 176.31 1uf2 h LYS 782 N 2.85 0.85 -1.62 4.82 1.63 -1.83 -3.39 116.57 119.87 1uf2 h LYS 782 Ca -0.38 -0.26 0.06 0.00 -0.85 0.00 0.00 60.65 59.22 1uf2 h LYS 782 Cb 1.21 -0.08 -0.23 0.00 -0.60 0.00 0.00 32.23 32.52 1uf2 h LYS 782 CO 0.59 0.88 0.48 1.21 -3.45 0.00 0.00 179.45 179.17 1uf2 s ASN 783 N -6.65 -0.42 0.26 4.20 2.47 -1.26 -4.79 114.94 108.74 1uf2 s ASN 783 Ca -0.10 0.56 -0.22 0.00 0.42 0.00 0.00 52.86 53.53 1uf2 s ASN 783 Cb 0.14 0.48 0.03 0.00 -1.45 0.00 0.00 41.25 40.45 1uf2 s ASN 783 CO 0.83 -0.32 0.73 -0.94 -3.72 0.00 0.00 177.10 173.67 1uf2 s SER 784 N -0.77 -0.29 0.00 -4.21 1.04 -1.03 -4.75 113.70 103.69 1uf2 s SER 784 Ca -0.01 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1uf2 s SER 784 Cb -0.02 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1uf2 s SER 784 CO 0.01 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1uf2 n GLY 785 N -0.45 -0.39 3.13 7.32 0.00 -1.26 -1.02 105.19 112.51 1uf2 n GLY 785 Ca -0.05 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 1uf2 n GLY 785 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uf2 s PHE 786 N -2.00 -0.87 -0.07 1.61 5.36 -0.37 -4.64 117.98 117.01 1uf2 s PHE 786 Ca 0.00 1.28 0.05 0.00 -0.96 0.00 0.00 56.93 57.29 1uf2 s PHE 786 Cb 0.00 0.22 -0.00 0.00 -0.34 0.00 0.00 43.02 42.89 1uf2 s PHE 786 CO 0.00 -0.60 -0.22 0.08 -1.46 0.00 0.00 175.22 173.02 1uf2 s VAL 787 N 2.61 1.81 -0.48 3.12 1.01 -1.26 -0.55 120.40 126.66 1uf2 s VAL 787 Ca 0.05 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1uf2 s VAL 787 Cb -0.14 -1.56 0.34 0.00 0.00 0.00 0.00 36.38 35.02 1uf2 s VAL 787 CO -0.15 0.51 0.83 -0.67 0.00 0.00 0.00 175.10 175.62 1uf2 n ASP 788 N 3.25 2.69 -4.69 3.32 4.64 -0.14 -4.83 116.55 120.79 1uf2 n ASP 788 Ca -0.19 -3.34 -0.43 0.00 -1.38 0.00 0.00 54.79 49.45 1uf2 n ASP 788 Cb 0.52 -0.59 -0.02 0.00 -1.04 0.00 0.00 41.12 40.00 1uf2 n ASP 788 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1uf2 n ARG 789 N 0.10 2.11 -1.70 -0.67 0.63 -1.26 -2.65 116.66 113.21 1uf2 n ARG 789 Ca 0.28 0.75 -0.10 0.00 -0.92 0.00 0.00 57.85 57.86 1uf2 n ARG 789 Cb 0.51 -2.37 -0.02 0.00 0.45 0.00 0.00 32.46 31.03 1uf2 n ARG 789 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1uf2 n GLY 790 N 1.43 0.59 3.88 5.14 0.00 -1.26 -2.78 105.19 112.18 1uf2 n GLY 790 Ca 0.08 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1uf2 n GLY 790 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uf2 s SER 791 N -2.74 6.59 0.08 1.61 0.15 -1.09 -4.71 113.70 113.59 1uf2 s SER 791 Ca 0.00 0.85 0.25 0.00 0.70 0.00 0.00 55.95 57.74 1uf2 s SER 791 Cb 0.00 -2.19 0.46 0.00 -1.71 0.00 0.00 66.02 62.57 1uf2 s SER 791 CO 0.00 -0.05 1.39 0.35 1.20 0.00 0.00 173.24 176.14 1uf2 n THR 792 N -0.09 0.23 -0.49 6.45 -2.24 -1.26 -4.72 114.28 112.15 1uf2 n THR 792 Ca -0.00 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1uf2 n THR 792 Cb 0.52 -0.04 0.25 0.00 -2.10 0.00 0.00 70.33 68.96 1uf2 n THR 792 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uf2 n GLY 793 N 1.40 -1.90 0.13 3.38 0.00 -1.26 -4.72 105.19 102.22 1uf2 n GLY 793 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1uf2 n GLY 793 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uf2 h PRO 794 N -2.65 0.00 -4.86 1.61 0.13 -1.91 -3.41 132.00 120.91 1uf2 h PRO 794 Ca -0.60 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.87 1uf2 h PRO 794 Cb 1.33 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 1uf2 h PRO 794 CO 0.48 0.63 -0.49 0.08 -0.23 0.00 0.00 178.00 178.46 1uf2 s VAL 795 N -3.09 5.30 -0.05 1.56 1.01 -1.26 -0.44 120.40 123.42 1uf2 s VAL 795 Ca 0.02 0.07 0.14 0.00 0.00 0.00 0.00 61.98 62.20 1uf2 s VAL 795 Cb 0.09 -3.59 -0.21 0.00 0.00 0.00 0.00 36.38 32.67 1uf2 s VAL 795 CO 0.75 0.17 0.24 0.00 0.00 0.00 0.00 175.10 176.26 1uf2 n ILE 796 N 5.08 0.25 -3.53 2.22 3.06 0.20 -4.88 119.36 121.76 1uf2 n ILE 796 Ca -0.13 -0.39 -0.10 0.00 -2.50 0.00 0.00 62.75 59.62 1uf2 n ILE 796 Cb 0.51 -0.06 -0.04 0.00 0.54 0.00 0.00 39.64 40.60 1uf2 n ILE 796 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1uf2 s ALA 797 N -2.81 -1.85 -0.07 1.51 0.00 -1.13 -0.96 121.76 116.46 1uf2 s ALA 797 Ca -0.06 1.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.93 1uf2 s ALA 797 Cb 0.08 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.22 1uf2 s ALA 797 CO 0.58 -0.52 0.50 0.45 0.00 0.00 0.00 175.76 176.78 1uf2 s SER 798 N -1.84 -0.45 0.02 0.00 0.15 0.29 0.22 113.70 112.09 1uf2 s SER 798 Ca 0.01 0.56 0.17 0.00 0.70 0.00 0.00 55.95 57.38 1uf2 s SER 798 Cb -0.01 0.58 0.72 0.00 -1.71 0.00 0.00 66.02 65.60 1uf2 s SER 798 CO -0.03 -0.45 1.54 -1.54 1.20 0.00 0.00 173.24 173.96 1uf2 n SER 799 N 1.50 0.06 -2.93 5.45 3.41 0.09 -1.24 113.62 119.96 1uf2 n SER 799 Ca -0.19 0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1uf2 n SER 799 Cb 0.56 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1uf2 n SER 799 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1uf2 n SER 800 N -1.56 2.22 -4.14 4.04 2.88 -1.26 -4.39 113.62 111.41 1uf2 n SER 800 Ca 0.04 -1.89 -0.26 0.00 -1.33 0.00 0.00 58.87 55.43 1uf2 n SER 800 Cb 0.20 0.20 -0.08 0.00 -0.75 0.00 0.00 64.21 63.78 1uf2 n SER 800 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1uf2 s VAL 801 N -1.83 0.63 -0.06 2.46 -7.23 -1.26 -3.46 120.40 109.65 1uf2 s VAL 801 Ca 0.02 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 1uf2 s VAL 801 Cb 0.00 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1uf2 s VAL 801 CO 0.01 0.00 0.52 -0.31 -0.31 0.00 0.00 175.10 175.01 1uf2 s TYR 802 N -3.19 3.61 0.34 2.82 1.51 -1.26 -1.04 117.35 120.14 1uf2 s TYR 802 Ca 0.23 1.03 0.19 0.00 -1.01 0.00 0.00 57.07 57.51 1uf2 s TYR 802 Cb 0.03 -2.55 1.22 0.00 -0.11 0.00 0.00 41.96 40.55 1uf2 s TYR 802 CO 0.14 0.29 1.45 -1.91 -1.11 0.00 0.00 175.55 174.42 1uf2 n GLU 803 N 3.09 -0.06 0.02 -0.62 2.13 -1.26 -0.02 120.64 123.92 1uf2 n GLU 803 Ca -0.08 1.27 0.07 0.00 0.66 0.00 0.00 57.16 59.08 1uf2 n GLU 803 Cb 0.51 -2.28 0.30 0.00 0.27 0.00 0.00 31.44 30.25 1uf2 n GLU 803 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1uf2 n ASN 804 N -5.09 0.08 -0.14 4.31 6.94 -1.26 -2.14 115.26 117.97 1uf2 n ASN 804 Ca 0.34 0.52 0.12 0.00 -0.02 0.00 0.00 54.58 55.55 1uf2 n ASN 804 Cb 1.17 -0.54 0.27 0.00 -2.36 0.00 0.00 39.78 38.32 1uf2 n ASN 804 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1uf2 n VAL 805 N -1.60 0.00 -3.20 3.53 3.14 0.98 -4.89 118.33 116.28 1uf2 n VAL 805 Ca 0.03 -0.07 -0.38 0.00 -2.96 0.00 0.00 64.34 60.96 1uf2 n VAL 805 Cb 0.16 0.43 -0.06 0.00 -1.06 0.00 0.00 33.84 33.30 1uf2 n VAL 805 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1uf2 s LEU 806 N -2.75 4.48 -0.28 6.55 1.02 -0.91 -1.34 118.68 125.45 1uf2 s LEU 806 Ca 0.17 1.33 0.01 0.00 0.02 0.00 0.00 54.13 55.67 1uf2 s LEU 806 Cb 0.18 -3.14 0.06 0.00 0.02 0.00 0.00 46.19 43.32 1uf2 s LEU 806 CO 0.62 0.20 -0.05 -0.75 0.02 0.00 0.00 176.35 176.39 1uf2 s LYS 807 N -1.38 2.24 -0.01 1.70 2.20 -0.55 -4.84 119.74 119.10 1uf2 s LYS 807 Ca 0.34 -1.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.27 1uf2 s LYS 807 Cb -0.19 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1uf2 s LYS 807 CO 0.21 -0.63 1.23 0.08 -0.36 0.00 0.00 175.35 175.88 1uf2 s VAL 808 N 1.14 4.09 -0.15 4.02 1.01 -1.26 -1.44 120.40 127.80 1uf2 s VAL 808 Ca -0.06 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.39 1uf2 s VAL 808 Cb -0.20 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1uf2 s VAL 808 CO -0.04 0.04 -0.13 0.52 0.00 0.00 0.00 175.10 175.48 1uf2 n VAL 809 N 4.40 0.87 -4.07 2.92 0.31 -0.12 -4.92 118.33 117.71 1uf2 n VAL 809 Ca 0.11 -0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 1uf2 n VAL 809 Cb 0.46 -1.03 -0.11 0.00 -0.91 0.00 0.00 33.84 32.24 1uf2 n VAL 809 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1uf2 s HIS 810 N -2.30 0.67 -0.18 3.52 3.76 -1.25 -5.07 115.29 114.44 1uf2 s HIS 810 Ca -0.20 -0.57 -0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1uf2 s HIS 810 Cb 0.05 -0.40 0.04 0.00 1.11 0.00 0.00 32.58 33.38 1uf2 s HIS 810 CO 0.35 -0.11 -0.06 0.99 -0.85 0.00 0.00 174.74 175.07 1uf2 s THR 811 N -1.74 1.24 -0.39 1.30 2.01 -1.26 -1.55 115.64 115.24 1uf2 s THR 811 Ca -0.07 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 60.93 1uf2 s THR 811 Cb -0.08 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.03 1uf2 s THR 811 CO -0.01 0.09 0.77 -0.63 -0.69 0.00 0.00 174.62 174.16 1uf2 s ILE 812 N 1.57 4.73 0.19 1.82 1.01 0.54 -4.98 121.20 126.08 1uf2 s ILE 812 Ca -0.01 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 1uf2 s ILE 812 Cb -0.16 -4.23 0.18 0.00 0.01 0.00 0.00 42.46 38.26 1uf2 s ILE 812 CO -0.08 -0.50 1.63 0.00 0.00 0.00 0.00 174.94 175.99 1uf2 h ALA 813 N 8.62 0.27 -2.56 9.38 0.00 -1.92 -1.59 119.26 131.46 1uf2 h ALA 813 Ca -0.25 0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1uf2 h ALA 813 Cb 1.09 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 1uf2 h ALA 813 CO 0.92 -0.49 0.39 0.16 0.00 0.00 0.00 179.25 180.23 1uf2 s ASP 814 N -5.20 -0.28 0.18 0.00 -4.77 -1.26 -4.32 116.67 101.02 1uf2 s ASP 814 Ca -0.14 -0.32 -0.24 0.00 -3.30 0.00 0.00 52.55 48.55 1uf2 s ASP 814 Cb 0.17 0.54 0.05 0.00 -1.09 0.00 0.00 42.92 42.59 1uf2 s ASP 814 CO 0.72 -0.96 1.46 0.33 0.70 0.00 0.00 175.17 177.43 1uf2 n PHE 815 N -0.41 -0.24 -0.32 2.11 7.35 -1.26 -0.33 117.46 124.36 1uf2 n PHE 815 Ca -0.08 1.18 0.19 0.00 -0.76 0.00 0.00 57.45 57.98 1uf2 n PHE 815 Cb 0.61 -0.69 0.39 0.00 0.35 0.00 0.00 39.48 40.14 1uf2 n PHE 815 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1uf2 h ASP 816 N 0.00 0.18 0.15 -2.13 3.32 -1.99 0.80 116.42 116.76 1uf2 h ASP 816 Ca 0.22 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1uf2 h ASP 816 Cb 0.46 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1uf2 h ASP 816 CO -0.91 -0.20 -0.07 0.00 -1.72 0.00 0.00 179.24 176.34 1uf2 h ALA 817 N 1.85 -0.20 -0.42 3.45 0.00 -1.09 -1.51 119.26 121.34 1uf2 h ALA 817 Ca 0.66 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1uf2 h ALA 817 Cb 1.45 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1uf2 h ALA 817 CO -0.68 -0.46 0.28 0.00 0.00 0.00 0.00 179.25 178.40 1uf2 h ALA 818 N 0.28 1.97 -0.16 0.00 0.00 -0.84 0.19 119.26 120.71 1uf2 h ALA 818 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1uf2 h ALA 818 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1uf2 h ALA 818 CO 0.03 -0.05 -0.59 -0.97 0.00 0.00 0.00 179.25 177.68 1uf2 h ASN 819 N 0.33 0.59 -0.14 0.00 -1.24 -0.72 -2.59 115.58 111.81 1uf2 h ASN 819 Ca 0.18 -0.33 -0.06 0.00 0.71 0.00 0.00 56.30 56.81 1uf2 h ASN 819 Cb 0.31 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 1uf2 h ASN 819 CO -0.04 1.04 -0.13 0.00 -1.29 0.00 0.00 177.43 177.01 1uf2 h ALA 820 N 0.96 0.20 -0.09 1.57 0.00 0.07 -2.94 119.26 119.03 1uf2 h ALA 820 Ca -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1uf2 h ALA 820 Cb 1.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1uf2 h ALA 820 CO 0.11 0.07 0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1uf2 h LEU 821 N -0.05 0.00 -0.84 0.00 3.38 -0.71 0.99 115.31 118.08 1uf2 h LEU 821 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1uf2 h LEU 821 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1uf2 h LEU 821 CO 0.03 0.00 -0.05 -0.09 0.09 0.00 0.00 178.44 178.42 1uf2 h ARG 822 N 0.00 0.00 0.02 1.13 9.65 -1.29 -2.25 114.38 121.65 1uf2 h ARG 822 Ca 0.04 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.62 1uf2 h ARG 822 Cb 0.17 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 1uf2 h ARG 822 CO -0.00 0.05 -1.76 1.28 2.80 0.00 0.00 179.97 182.34 1uf2 n LEU 823 N -3.14 1.17 -4.56 3.80 4.77 0.31 -4.78 117.00 114.58 1uf2 n LEU 823 Ca 0.02 0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1uf2 n LEU 823 Cb 0.42 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1uf2 n LEU 823 CO 0.31 0.47 1.30 -1.10 -1.33 0.00 0.00 177.39 177.04 1uf2 s GLN 824 N -2.59 1.94 0.51 3.23 -0.21 -0.99 -4.94 119.66 116.61 1uf2 s GLN 824 Ca -0.08 0.30 -0.12 0.00 0.02 0.00 0.00 55.36 55.48 1uf2 s GLN 824 Cb 0.08 -4.85 -0.06 0.00 1.00 0.00 0.00 33.01 29.18 1uf2 s GLN 824 CO 0.82 -4.02 0.92 1.03 -2.12 0.00 0.00 175.29 171.91 1uf2 s ARG 825 N 8.24 3.77 -0.18 2.91 0.52 -1.26 -2.45 118.95 130.49 1uf2 s ARG 825 Ca 0.85 0.69 -0.23 0.00 -0.52 0.00 0.00 55.73 56.52 1uf2 s ARG 825 Cb -0.11 -2.22 0.06 0.00 0.52 0.00 0.00 34.95 33.20 1uf2 s ARG 825 CO 0.06 -0.28 0.62 -0.98 0.02 0.00 0.00 175.30 174.74 1uf2 s ARG 826 N -4.38 0.80 0.33 3.54 1.70 -1.00 -4.98 118.95 114.96 1uf2 s ARG 826 Ca 0.55 0.67 -0.28 0.00 -0.47 0.00 0.00 55.73 56.19 1uf2 s ARG 826 Cb -0.10 0.38 -0.10 0.00 -0.57 0.00 0.00 34.95 34.56 1uf2 s ARG 826 CO 0.39 -0.14 1.26 1.03 -1.08 0.00 0.00 175.30 176.75 1uf2 s ARG 827 N -0.10 4.37 -0.18 3.89 0.52 -1.26 -2.50 118.95 123.69 1uf2 s ARG 827 Ca -0.03 2.11 -0.12 0.00 -0.52 0.00 0.00 55.73 57.16 1uf2 s ARG 827 Cb -0.04 -3.05 -0.08 0.00 0.52 0.00 0.00 34.95 32.31 1uf2 s ARG 827 CO 0.03 -0.13 -0.28 0.28 0.02 0.00 0.00 175.30 175.21 1uf2 n VAL 828 N 0.79 1.31 -0.19 3.52 0.31 -0.03 -4.93 118.33 119.11 1uf2 n VAL 828 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1uf2 n VAL 828 Cb 0.43 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1uf2 n VAL 828 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1uf2 n ASP 829 N -4.11 0.02 0.06 4.52 5.68 -1.21 -5.03 116.55 116.49 1uf2 n ASP 829 Ca -0.31 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 53.78 1uf2 n ASP 829 Cb 0.65 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.50 1uf2 n ASP 829 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1uf2 h ASN 830 N 0.00 0.66 -0.21 -1.12 2.35 -2.04 -3.38 115.58 111.84 1uf2 h ASN 830 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 1uf2 h ASN 830 Cb 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1uf2 h ASN 830 CO 0.00 1.45 0.00 0.35 -1.65 0.00 0.00 177.43 177.58 1uf2 n THR 831 N -4.00 1.03 -4.15 2.81 -2.24 -1.26 -5.05 114.28 101.42 1uf2 n THR 831 Ca -0.13 -1.03 -0.13 0.00 -2.27 0.00 0.00 64.05 60.49 1uf2 n THR 831 Cb 0.86 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 1uf2 n THR 831 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1uf2 s SER 832 N -1.03 1.23 0.29 3.42 1.04 -1.26 -5.09 113.70 112.30 1uf2 s SER 832 Ca 0.15 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.81 1uf2 s SER 832 Cb 0.08 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1uf2 s SER 832 CO 0.10 -0.30 0.13 -0.72 0.98 0.00 0.00 173.24 173.42 1uf2 s TYR 833 N -2.46 1.61 0.00 5.02 -0.85 -1.26 -0.85 117.35 118.55 1uf2 s TYR 833 Ca 0.03 -1.27 0.00 0.00 -0.52 0.00 0.00 57.07 55.32 1uf2 s TYR 833 Cb -0.03 -0.92 0.00 0.00 0.38 0.00 0.00 41.96 41.39 1uf2 s TYR 833 CO -0.01 -0.40 0.00 -2.37 -1.52 0.00 0.00 175.55 171.25 1uf2 n THR 834 N -0.57 0.00 -3.70 -3.49 5.66 -1.04 -4.88 114.28 106.27 1uf2 n THR 834 Ca -0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1uf2 n THR 834 Cb 0.66 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.32 1uf2 n THR 834 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1uf2 s ASP 835 N -0.94 -0.33 0.15 1.09 1.47 -1.26 -2.39 116.67 114.47 1uf2 s ASP 835 Ca 0.00 0.77 0.12 0.00 1.18 0.00 0.00 52.55 54.62 1uf2 s ASP 835 Cb 0.00 0.73 0.41 0.00 -0.34 0.00 0.00 42.92 43.72 1uf2 s ASP 835 CO 0.00 -0.20 0.40 -1.20 0.68 0.00 0.00 175.17 174.85 1uf2 n SER 836 N 4.51 0.00 -0.02 2.11 7.64 -1.03 0.10 113.62 126.93 1uf2 n SER 836 Ca -0.20 0.25 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 1uf2 n SER 836 Cb 0.53 -0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 1uf2 n SER 836 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1uf2 h LEU 837 N 0.00 -0.07 -0.79 -3.43 5.85 -1.73 -2.80 115.31 112.34 1uf2 h LEU 837 Ca 0.22 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1uf2 h LEU 837 Cb 0.95 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1uf2 h LEU 837 CO -0.00 0.63 0.52 0.28 -0.34 0.00 0.00 178.44 179.52 1uf2 h SER 838 N -0.95 0.89 -0.19 1.25 0.02 0.38 0.28 113.55 115.23 1uf2 h SER 838 Ca -0.01 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1uf2 h SER 838 Cb 0.55 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1uf2 h SER 838 CO 0.01 0.63 0.16 -0.78 -1.14 0.00 0.00 176.83 175.72 1uf2 h ASP 839 N 1.05 0.00 0.31 3.07 3.58 -1.39 0.12 116.42 123.16 1uf2 h ASP 839 Ca 0.29 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.41 1uf2 h ASP 839 Cb -0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1uf2 h ASP 839 CO -0.07 0.00 -1.64 -0.03 -2.88 0.00 0.00 179.24 174.61 1uf2 h MET 840 N 0.00 0.33 -0.76 0.28 4.05 -0.81 -3.29 114.93 114.73 1uf2 h MET 840 Ca 0.09 -0.57 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 1uf2 h MET 840 Cb 0.40 0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 1uf2 h MET 840 CO -0.00 1.23 0.27 0.35 0.23 0.00 0.00 176.91 178.99 1uf2 h PHE 841 N 0.09 1.19 -0.84 1.39 3.57 0.13 -2.96 116.94 119.51 1uf2 h PHE 841 Ca -0.29 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.13 1uf2 h PHE 841 Cb 2.07 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 40.41 1uf2 h PHE 841 CO 0.08 0.91 0.54 -0.91 -2.23 0.00 0.00 178.31 176.71 1uf2 h ASN 842 N 1.12 0.90 0.07 0.41 4.21 -0.91 -2.10 115.58 119.28 1uf2 h ASN 842 Ca 0.25 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1uf2 h ASN 842 Cb 0.26 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1uf2 h ASN 842 CO -0.01 0.62 0.00 0.61 -1.29 0.00 0.00 177.43 177.36 1uf2 n GLY 843 N -1.33 -0.42 3.72 2.83 0.00 -1.12 -4.63 105.19 104.25 1uf2 n GLY 843 Ca 0.10 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1uf2 n GLY 843 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uf2 s LEU 844 N -2.62 4.41 0.14 0.99 1.43 -0.79 -5.00 118.68 117.24 1uf2 s LEU 844 Ca 0.03 1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.48 1uf2 s LEU 844 Cb 0.02 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.65 1uf2 s LEU 844 CO 0.05 -0.17 1.23 -0.60 0.23 0.00 0.00 176.35 177.08 1uf2 s ARG 845 N 0.61 4.45 -0.07 1.70 3.52 -1.26 -4.90 118.95 122.99 1uf2 s ARG 845 Ca 0.49 1.88 -0.13 0.00 -0.13 0.00 0.00 55.73 57.83 1uf2 s ARG 845 Cb -0.21 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1uf2 s ARG 845 CO 0.28 -0.18 0.34 0.45 -0.81 0.00 0.00 175.30 175.37 1uf2 s SER 846 N 0.51 6.64 -0.13 -2.12 0.15 -1.26 -4.46 113.70 113.02 1uf2 s SER 846 Ca 0.56 0.76 -0.02 0.00 0.70 0.00 0.00 55.95 57.95 1uf2 s SER 846 Cb -0.32 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1uf2 s SER 846 CO 0.34 0.27 -0.07 -0.63 1.20 0.00 0.00 173.24 174.35 1uf2 s ILE 847 N -0.60 3.63 0.24 6.45 1.01 -1.26 -5.06 121.20 125.61 1uf2 s ILE 847 Ca 0.21 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.08 1uf2 s ILE 847 Cb -0.15 -2.55 -0.12 0.00 0.01 0.00 0.00 42.46 39.65 1uf2 s ILE 847 CO 0.09 0.53 1.58 -0.24 0.00 0.00 0.00 174.94 176.90 1uf2 n SER 848 N 3.19 3.51 -0.28 3.58 2.88 -1.26 -4.79 113.62 120.45 1uf2 n SER 848 Ca -0.18 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.56 1uf2 n SER 848 Cb 0.53 -1.53 0.22 0.00 -0.75 0.00 0.00 64.21 62.68 1uf2 n SER 848 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1uf2 h SER 849 N 5.23 0.33 -0.54 -3.46 0.02 -1.99 -0.19 113.55 112.96 1uf2 h SER 849 Ca -0.45 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1uf2 h SER 849 Cb 1.24 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.77 1uf2 h SER 849 CO 0.83 0.10 -0.49 -1.28 -1.14 0.00 0.00 176.83 174.86 1uf2 h SER 850 N 0.46 -1.66 -0.16 3.07 0.87 -1.99 0.13 113.55 114.28 1uf2 h SER 850 Ca 0.46 0.25 0.05 0.00 -1.23 0.00 0.00 61.79 61.31 1uf2 h SER 850 Cb 0.74 0.72 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1uf2 h SER 850 CO -0.43 -0.36 0.47 -0.33 -0.53 0.00 0.00 176.83 175.66 1uf2 h GLU 851 N -0.28 0.00 0.02 2.24 4.39 -1.38 -0.06 114.58 119.50 1uf2 h GLU 851 Ca 0.14 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.63 1uf2 h GLU 851 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1uf2 h GLU 851 CO -0.67 0.00 -0.94 0.74 -1.16 0.00 0.00 179.01 176.98 1uf2 h PHE 852 N 0.00 0.21 -0.67 4.33 -1.00 -0.69 -3.20 116.94 115.93 1uf2 h PHE 852 Ca 0.08 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1uf2 h PHE 852 Cb 1.02 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.56 1uf2 h PHE 852 CO 0.00 1.00 0.00 1.33 -1.61 0.00 0.00 178.31 179.03 1uf2 n VAL 853 N -3.57 1.75 -1.48 -0.55 0.24 -0.07 -4.30 118.33 110.35 1uf2 n VAL 853 Ca -0.03 -1.18 -0.38 0.00 -2.04 0.00 0.00 64.34 60.71 1uf2 n VAL 853 Cb 0.86 0.17 0.04 0.00 -1.47 0.00 0.00 33.84 33.44 1uf2 n VAL 853 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1uf2 n ARG 854 N 1.23 0.54 -3.75 7.34 0.63 -0.99 -4.83 116.66 116.83 1uf2 n ARG 854 Ca 0.26 0.21 -0.11 0.00 -0.92 0.00 0.00 57.85 57.29 1uf2 n ARG 854 Cb 0.87 -1.75 -0.07 0.00 0.45 0.00 0.00 32.46 31.96 1uf2 n ARG 854 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1uf2 s SER 855 N -1.19 -0.12 -0.13 6.15 1.04 -1.26 -2.87 113.70 115.31 1uf2 s SER 855 Ca 0.70 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.88 1uf2 s SER 855 Cb -0.44 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.11 1uf2 s SER 855 CO 0.53 -0.63 0.13 -0.69 0.98 0.00 0.00 173.24 173.56 1uf2 s VAL 856 N -2.67 -0.18 -1.26 5.02 1.01 -0.10 -4.86 120.40 117.36 1uf2 s VAL 856 Ca -0.04 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1uf2 s VAL 856 Cb -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1uf2 s VAL 856 CO -0.04 -0.09 0.81 0.59 0.00 0.00 0.00 175.10 176.37 1uf2 n ASN 857 N 5.30 -1.60 0.00 3.32 3.02 -1.26 -2.52 115.26 121.53 1uf2 n ASN 857 Ca -0.05 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1uf2 n ASN 857 Cb 0.49 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1uf2 n ASN 857 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uf2 n GLY 858 N -1.41 1.31 3.34 7.41 0.00 -1.26 -4.99 105.19 109.58 1uf2 n GLY 858 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1uf2 n GLY 858 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uf2 s ARG 859 N -0.17 3.01 0.43 1.61 3.52 -1.05 -4.34 118.95 121.96 1uf2 s ARG 859 Ca 0.00 -0.77 -0.25 0.00 -0.13 0.00 0.00 55.73 54.58 1uf2 s ARG 859 Cb 0.00 -2.43 -0.08 0.00 -1.56 0.00 0.00 34.95 30.88 1uf2 s ARG 859 CO 0.00 0.31 1.35 -1.12 -0.81 0.00 0.00 175.30 175.03 1uf2 s SER 860 N 0.07 6.06 -0.03 -2.12 0.01 -1.12 -0.93 113.70 115.65 1uf2 s SER 860 Ca -0.08 2.76 -0.05 0.00 1.31 0.00 0.00 55.95 59.89 1uf2 s SER 860 Cb -0.15 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.44 1uf2 s SER 860 CO 0.05 -1.03 0.12 -0.69 0.41 0.00 0.00 173.24 172.10 1uf2 s VAL 861 N -1.25 0.04 -0.33 3.43 1.01 -1.14 -4.86 120.40 117.30 1uf2 s VAL 861 Ca 0.60 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1uf2 s VAL 861 Cb -0.40 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 35.78 1uf2 s VAL 861 CO 0.51 -0.18 0.04 0.12 0.00 0.00 0.00 175.10 175.60 1uf2 s PHE 862 N -0.58 3.59 0.02 5.22 5.36 -1.26 -4.43 117.98 125.90 1uf2 s PHE 862 Ca -0.07 -2.66 -0.18 0.00 -0.96 0.00 0.00 56.93 53.06 1uf2 s PHE 862 Cb -0.04 -2.71 -0.25 0.00 -0.34 0.00 0.00 43.02 39.67 1uf2 s PHE 862 CO 0.01 -0.93 1.09 1.15 -1.46 0.00 0.00 175.22 175.08 1uf2 h THR 863 N 6.58 1.38 0.00 0.12 2.02 -1.98 -3.38 112.91 117.65 1uf2 h THR 863 Ca -0.10 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1uf2 h THR 863 Cb 1.03 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1uf2 h THR 863 CO 0.54 0.66 0.42 -0.33 0.37 0.00 0.00 175.52 177.18 1uf2 h GLU 864 N 0.02 0.00 0.00 6.66 4.39 -1.93 -3.47 114.58 120.25 1uf2 h GLU 864 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1uf2 h GLU 864 Cb 1.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1uf2 h GLU 864 CO 0.16 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.42 1uf2 n GLY 865 N -1.27 0.74 3.87 -3.84 0.00 -1.26 -4.90 105.19 98.52 1uf2 n GLY 865 Ca -0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 1uf2 n GLY 865 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uf2 s ARG 866 N 0.00 3.14 -0.32 1.61 0.52 -1.26 -5.01 118.95 117.64 1uf2 s ARG 866 Ca 0.00 -0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 54.28 1uf2 s ARG 866 Cb 0.00 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 1uf2 s ARG 866 CO 0.00 0.49 0.35 0.42 0.02 0.00 0.00 175.30 176.57 1uf2 s ILE 867 N -1.80 5.18 0.18 1.52 1.01 -0.45 -4.89 121.20 121.94 1uf2 s ILE 867 Ca 0.33 0.21 -0.32 0.00 0.00 0.00 0.00 60.65 60.87 1uf2 s ILE 867 Cb -0.10 -3.76 -0.12 0.00 0.01 0.00 0.00 42.46 38.49 1uf2 s ILE 867 CO 0.26 0.01 1.75 0.47 0.00 0.00 0.00 174.94 177.43 1uf2 n ASP 868 N 5.34 3.95 -3.83 3.58 9.92 -1.26 -1.47 116.55 132.77 1uf2 n ASP 868 Ca -0.09 1.04 -0.10 0.00 -0.53 0.00 0.00 54.79 55.10 1uf2 n ASP 868 Cb 0.50 -1.55 -0.08 0.00 -0.64 0.00 0.00 41.12 39.35 1uf2 n ASP 868 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uf2 s ALA 869 N 1.65 -0.38 -0.23 2.24 0.00 -0.52 -4.37 121.76 120.15 1uf2 s ALA 869 Ca 0.78 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 1uf2 s ALA 869 Cb -0.51 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1uf2 s ALA 869 CO 0.34 -0.41 0.03 0.42 0.00 0.00 0.00 175.76 176.14 1uf2 s ILE 870 N -2.93 4.10 -0.19 0.00 1.01 0.04 -0.95 121.20 122.27 1uf2 s ILE 870 Ca -0.02 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 1uf2 s ILE 870 Cb 0.01 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1uf2 s ILE 870 CO -0.06 0.38 0.63 -0.75 0.00 0.00 0.00 174.94 175.14 1uf2 s LYS 871 N 1.36 4.22 -0.37 2.79 2.20 -0.60 -0.68 119.74 128.66 1uf2 s LYS 871 Ca 0.05 0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 56.24 1uf2 s LYS 871 Cb -0.15 -3.57 0.09 0.00 -1.51 0.00 0.00 37.83 32.69 1uf2 s LYS 871 CO 0.02 -0.23 0.13 0.08 -0.36 0.00 0.00 175.35 174.99 1uf2 s VAL 872 N 1.86 3.20 0.00 4.02 1.01 -0.36 -0.34 120.40 129.80 1uf2 s VAL 872 Ca 0.29 -1.78 -0.02 0.00 0.00 0.00 0.00 61.98 60.46 1uf2 s VAL 872 Cb -0.16 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 1uf2 s VAL 872 CO 0.10 -0.47 1.86 0.59 0.00 0.00 0.00 175.10 177.18 1uf2 n ASN 873 N 4.61 2.85 -4.76 3.32 3.02 -0.60 -2.22 115.26 121.49 1uf2 n ASN 873 Ca -0.06 -1.95 -0.31 0.00 -0.03 0.00 0.00 54.58 52.23 1uf2 n ASN 873 Cb 0.42 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 38.80 1uf2 n ASN 873 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1uf2 s MET 874 N 1.62 2.88 0.21 3.52 1.75 -1.25 -4.46 119.30 123.56 1uf2 s MET 874 Ca 0.25 -0.66 -0.30 0.00 -1.25 0.00 0.00 55.69 53.74 1uf2 s MET 874 Cb 0.12 -2.73 -0.08 0.00 2.84 0.00 0.00 34.83 34.98 1uf2 s MET 874 CO 0.00 0.58 0.96 0.50 -0.65 0.00 0.00 175.02 176.41 1uf2 s ARG 875 N -2.18 4.80 0.02 4.11 3.52 -1.26 -3.03 118.95 124.92 1uf2 s ARG 875 Ca 0.27 1.51 -0.05 0.00 -0.13 0.00 0.00 55.73 57.33 1uf2 s ARG 875 Cb -0.12 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1uf2 s ARG 875 CO 0.19 0.42 0.08 0.00 -0.81 0.00 0.00 175.30 175.18 1uf2 s ALA 876 N -0.89 -0.14 -0.15 6.12 0.00 -0.69 -3.80 121.76 122.20 1uf2 s ALA 876 Ca 0.43 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1uf2 s ALA 876 Cb -0.26 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1uf2 s ALA 876 CO 0.32 -0.22 -0.01 0.21 0.00 0.00 0.00 175.76 176.06 1uf2 s LYS 877 N -1.68 3.66 -0.15 0.00 2.20 -0.61 -0.84 119.74 122.31 1uf2 s LYS 877 Ca -0.13 -0.47 -0.04 0.00 -0.36 0.00 0.00 55.97 54.97 1uf2 s LYS 877 Cb -0.07 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 1uf2 s LYS 877 CO -0.00 0.30 -0.03 -0.59 -0.36 0.00 0.00 175.35 174.67 1uf2 s PHE 878 N 0.22 3.05 -0.58 4.03 -0.12 -0.81 -0.79 117.98 122.97 1uf2 s PHE 878 Ca -0.01 -0.25 -0.21 0.00 -0.05 0.00 0.00 56.93 56.42 1uf2 s PHE 878 Cb -0.13 -1.96 0.07 0.00 -0.63 0.00 0.00 43.02 40.37 1uf2 s PHE 878 CO 0.02 0.00 0.81 0.34 -0.05 0.00 0.00 175.22 176.35 1uf2 s ASP 879 N 0.30 6.22 0.36 1.98 2.15 -0.50 -4.82 116.67 122.36 1uf2 s ASP 879 Ca -0.03 -0.96 -0.20 0.00 0.43 0.00 0.00 52.55 51.80 1uf2 s ASP 879 Cb -0.14 -2.36 -0.10 0.00 -0.30 0.00 0.00 42.92 40.02 1uf2 s ASP 879 CO 0.03 -1.19 0.86 -0.22 -0.17 0.00 0.00 175.17 174.48 1uf2 s LEU 880 N 3.35 4.07 -0.18 -1.34 2.96 -1.26 -2.15 118.68 124.14 1uf2 s LEU 880 Ca 0.19 1.56 -0.09 0.00 -0.22 0.00 0.00 54.13 55.57 1uf2 s LEU 880 Cb -0.18 -4.23 0.07 0.00 0.50 0.00 0.00 46.19 42.34 1uf2 s LEU 880 CO 0.11 -0.23 0.42 -1.58 -1.32 0.00 0.00 176.35 173.75 1uf2 s GLN 881 N -2.85 0.38 -0.07 1.98 0.74 -0.95 -4.96 119.66 113.93 1uf2 s GLN 881 Ca 0.56 0.86 -0.05 0.00 0.05 0.00 0.00 55.36 56.78 1uf2 s GLN 881 Cb -0.11 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1uf2 s GLN 881 CO 0.17 -0.18 0.16 -0.06 -0.55 0.00 0.00 175.29 174.83 1uf2 s PHE 882 N 1.71 3.58 -0.03 1.67 2.99 -1.26 -1.63 117.98 125.01 1uf2 s PHE 882 Ca -0.08 0.46 0.03 0.00 0.00 0.00 0.00 56.93 57.34 1uf2 s PHE 882 Cb -0.09 -1.90 0.00 0.00 0.00 0.00 0.00 43.02 41.03 1uf2 s PHE 882 CO -0.13 0.70 -0.10 0.42 -0.00 0.00 0.00 175.22 176.10 1uf2 s ILE 883 N -1.16 0.90 -0.17 0.64 1.01 -0.53 -4.95 121.20 116.94 1uf2 s ILE 883 Ca 0.21 -0.42 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1uf2 s ILE 883 Cb -0.12 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1uf2 s ILE 883 CO 0.11 0.28 0.16 0.42 0.00 0.00 0.00 174.94 175.90 1uf2 s THR 884 N 0.22 5.42 -0.26 2.92 -4.23 -1.26 -0.02 115.64 118.43 1uf2 s THR 884 Ca -0.04 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.61 1uf2 s THR 884 Cb -0.10 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1uf2 s THR 884 CO 0.01 0.49 0.21 -1.61 -0.54 0.00 0.00 174.62 173.18 1uf2 s GLU 885 N -0.07 4.01 -0.00 3.99 0.41 -0.29 -4.92 118.70 121.82 1uf2 s GLU 885 Ca 0.11 -0.24 0.20 0.00 -0.41 0.00 0.00 54.97 54.64 1uf2 s GLU 885 Cb -0.12 -3.61 -0.22 0.00 -1.78 0.00 0.00 34.13 28.40 1uf2 s GLU 885 CO 0.01 -0.10 0.57 0.39 -0.49 0.00 0.00 175.26 175.63 1uf2 n GLU 886 N 4.80 0.65 0.00 1.61 -0.58 -1.26 -1.62 120.64 124.24 1uf2 n GLU 886 Ca -0.13 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1uf2 n GLU 886 Cb 0.52 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1uf2 n GLU 886 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uf2 n GLY 887 N 1.37 0.97 3.56 0.62 0.00 -1.26 -4.43 105.19 106.01 1uf2 n GLY 887 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1uf2 n GLY 887 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uf2 s GLY 888 N -1.95 1.10 0.00 -0.02 0.00 -1.26 -4.89 107.32 100.30 1uf2 s GLY 888 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1uf2 s GLY 888 CO 0.00 2.48 0.92 -1.72 0.00 0.00 0.00 173.10 174.78 1uf2 n TYR 889 N 8.57 0.00 -4.23 1.90 4.02 -1.26 -4.78 117.16 121.38 1uf2 n TYR 889 Ca 0.06 -0.44 -0.29 0.00 -0.01 0.00 0.00 57.90 57.21 1uf2 n TYR 889 Cb 0.49 -0.23 -0.10 0.00 -0.02 0.00 0.00 39.34 39.48 1uf2 n TYR 889 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1uf2 s SER 890 N 0.93 4.37 -0.63 7.72 1.04 -1.26 -4.79 113.70 121.09 1uf2 s SER 890 Ca 0.00 -0.41 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 1uf2 s SER 890 Cb 0.00 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.31 1uf2 s SER 890 CO 0.00 0.17 0.66 0.29 0.98 0.00 0.00 173.24 175.34 1uf2 n LYS 891 N 0.64 -1.71 -0.67 4.02 5.02 -1.26 -4.97 118.16 119.23 1uf2 n LYS 891 Ca -0.13 1.66 -0.31 0.00 -2.02 0.00 0.00 58.31 57.51 1uf2 n LYS 891 Cb 0.53 -5.42 0.17 0.00 -0.02 0.00 0.00 35.03 30.28 1uf2 n LYS 891 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1uf2 n PRO 892 N -1.28 -0.69 -1.00 1.97 -0.04 -1.26 -4.99 135.00 127.70 1uf2 n PRO 892 Ca 0.02 -0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.03 1uf2 n PRO 892 Cb 0.50 -2.26 0.14 0.00 -0.04 0.00 0.00 33.50 31.84 1uf2 n PRO 892 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1uf2 s PRO 893 N -4.42 1.45 -0.38 0.54 0.02 -1.26 -5.00 135.00 125.94 1uf2 s PRO 893 Ca 0.65 1.23 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 1uf2 s PRO 893 Cb -0.23 -1.80 0.08 0.00 0.02 0.00 0.00 34.50 32.58 1uf2 s PRO 893 CO 0.61 -2.23 0.16 1.21 -0.33 0.00 0.00 177.00 176.41 1uf2 s ASN 894 N -3.09 5.24 -0.26 2.53 2.47 -1.26 -4.95 114.94 115.62 1uf2 s ASN 894 Ca 0.64 -1.69 -0.10 0.00 0.42 0.00 0.00 52.86 52.13 1uf2 s ASN 894 Cb -0.20 -1.83 -0.05 0.00 -1.45 0.00 0.00 41.25 37.72 1uf2 s ASN 894 CO 0.57 -0.46 0.16 -0.69 -3.72 0.00 0.00 177.10 172.97 1uf2 s VAL 895 N 1.24 5.20 -0.13 -5.21 1.01 -1.26 -5.05 120.40 116.19 1uf2 s VAL 895 Ca 0.03 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1uf2 s VAL 895 Cb -0.22 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1uf2 s VAL 895 CO -0.02 0.29 1.29 -0.75 0.00 0.00 0.00 175.10 175.91 1uf2 s LYS 896 N 1.50 4.25 -0.07 2.72 2.20 -1.26 -5.00 119.74 124.09 1uf2 s LYS 896 Ca 0.07 1.72 0.05 0.00 -0.36 0.00 0.00 55.97 57.45 1uf2 s LYS 896 Cb -0.15 -3.74 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1uf2 s LYS 896 CO 0.08 -0.67 -0.24 0.15 -0.36 0.00 0.00 175.35 174.31 1uf2 s LYS 897 N 3.29 2.67 -0.35 4.03 1.02 -1.26 -4.74 119.74 124.40 1uf2 s LYS 897 Ca 0.57 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 1uf2 s LYS 897 Cb -0.23 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1uf2 s LYS 897 CO 0.17 0.31 0.36 -1.17 -0.92 0.00 0.00 175.35 174.10 1uf2 s LEU 898 N 0.00 4.50 0.46 3.17 2.96 -1.26 -4.95 118.68 123.56 1uf2 s LEU 898 Ca -0.08 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1uf2 s LEU 898 Cb -0.15 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 1uf2 s LEU 898 CO 0.05 -0.35 0.73 -0.04 -1.32 0.00 0.00 176.35 175.42 1uf2 s MET 899 N 1.99 3.39 0.32 1.98 -1.94 -1.26 -1.18 119.30 122.60 1uf2 s MET 899 Ca 0.11 -0.04 0.01 0.00 -1.71 0.00 0.00 55.69 54.05 1uf2 s MET 899 Cb -0.17 -2.45 0.55 0.00 2.01 0.00 0.00 34.83 34.77 1uf2 s MET 899 CO 0.12 -0.19 1.97 0.35 -0.01 0.00 0.00 175.02 177.25 1uf2 h PHE 900 N 0.32 0.94 -0.67 -0.03 3.57 -1.92 -0.07 116.94 119.09 1uf2 h PHE 900 Ca -0.47 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.19 1uf2 h PHE 900 Cb 1.22 -0.32 -0.12 0.00 2.79 0.00 0.00 35.95 39.52 1uf2 h PHE 900 CO 0.53 0.56 -0.09 0.77 -2.23 0.00 0.00 178.31 177.86 1uf2 h SER 901 N 0.99 -0.48 -0.50 0.41 0.02 -2.01 -0.18 113.55 111.80 1uf2 h SER 901 Ca 0.30 0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.36 1uf2 h SER 901 Cb -0.01 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1uf2 h SER 901 CO -0.08 -0.19 -0.00 0.44 -1.14 0.00 0.00 176.83 175.86 1uf2 h ASP 902 N 0.05 0.90 -0.34 3.07 3.32 -1.40 -2.74 116.42 119.28 1uf2 h ASP 902 Ca 0.34 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1uf2 h ASP 902 Cb 0.55 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1uf2 h ASP 902 CO -0.64 0.96 0.10 0.15 -1.72 0.00 0.00 179.24 178.09 1uf2 h PHE 903 N 0.86 0.62 -0.27 4.55 3.57 -0.62 -1.61 116.94 124.03 1uf2 h PHE 903 Ca 0.16 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1uf2 h PHE 903 Cb 0.51 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1uf2 h PHE 903 CO 0.03 0.54 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.41 1uf2 h LEU 904 N 0.60 0.62 -2.04 0.59 3.38 -1.18 -0.59 115.31 116.69 1uf2 h LEU 904 Ca 0.14 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1uf2 h LEU 904 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1uf2 h LEU 904 CO -0.00 0.92 0.00 0.28 0.09 0.00 0.00 178.44 179.72 1uf2 h SER 905 N 0.33 0.00 0.01 -0.43 0.02 -1.13 0.34 113.55 112.69 1uf2 h SER 905 Ca 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1uf2 h SER 905 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1uf2 h SER 905 CO 0.05 0.00 -0.00 0.15 -1.14 0.00 0.00 176.83 175.88 1uf2 h PHE 906 N 0.00 -0.01 -0.59 3.45 3.57 -0.73 -2.58 116.94 120.04 1uf2 h PHE 906 Ca 0.00 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1uf2 h PHE 906 Cb 0.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1uf2 h PHE 906 CO 0.00 0.04 0.47 -0.07 -2.23 0.00 0.00 178.31 176.52 1uf2 h LEU 907 N -1.00 0.00 0.17 0.59 3.38 -0.50 0.02 115.31 117.96 1uf2 h LEU 907 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1uf2 h LEU 907 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1uf2 h LEU 907 CO 0.00 0.00 -1.33 0.44 0.09 0.00 0.00 178.44 177.64 1uf2 h ASP 908 N 0.00 0.55 0.83 -0.43 3.32 -0.43 -2.69 116.42 117.57 1uf2 h ASP 908 Ca 0.28 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1uf2 h ASP 908 Cb 1.23 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1uf2 h ASP 908 CO -0.00 1.47 0.00 -1.28 -1.72 0.00 0.00 179.24 177.71 1uf2 h SER 909 N 0.10 0.00 0.00 6.45 0.87 -0.58 -2.92 113.55 117.46 1uf2 h SER 909 Ca -0.18 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1uf2 h SER 909 Cb 2.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 1uf2 h SER 909 CO 0.22 0.00 -0.20 1.41 -0.53 0.00 0.00 176.83 177.73 1uf2 n HIS 910 N -2.86 0.00 0.32 2.24 8.25 -0.83 -4.77 115.22 117.57 1uf2 n HIS 910 Ca 0.01 -1.15 0.20 0.00 -0.26 0.00 0.00 57.72 56.52 1uf2 n HIS 910 Cb 0.26 -0.18 1.10 0.00 1.12 0.00 0.00 29.99 32.28 1uf2 n HIS 910 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1uf2 h LYS 911 N 0.36 0.00 -0.26 -0.41 2.10 -1.28 -1.95 116.57 115.14 1uf2 h LYS 911 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1uf2 h LYS 911 Cb 1.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1uf2 h LYS 911 CO 0.00 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.32 1uf2 n SER 912 N -3.27 3.85 -4.77 7.07 3.41 -1.26 -5.01 113.62 113.64 1uf2 n SER 912 Ca -0.03 -3.04 -0.38 0.00 -0.26 0.00 0.00 58.87 55.16 1uf2 n SER 912 Cb 0.12 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 1uf2 n SER 912 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1uf2 s ASP 913 N -1.96 7.07 -0.08 4.04 1.11 -0.74 -4.97 116.67 121.14 1uf2 s ASP 913 Ca 0.42 2.12 -0.26 0.00 0.18 0.00 0.00 52.55 55.02 1uf2 s ASP 913 Cb 0.34 -2.61 -0.26 0.00 1.07 0.00 0.00 42.92 41.46 1uf2 s ASP 913 CO 0.09 -0.27 0.90 1.88 1.18 0.00 0.00 175.17 178.94 1uf2 h TYR 914 N 3.23 0.23 -4.14 4.23 0.99 -1.95 -3.46 116.97 116.10 1uf2 h TYR 914 Ca -0.47 -0.15 -0.69 0.00 2.00 0.00 0.00 58.73 59.42 1uf2 h TYR 914 Cb 1.21 -0.02 -0.24 0.00 1.00 0.00 0.00 36.73 38.68 1uf2 h TYR 914 CO 0.59 1.05 -0.82 1.03 -0.00 0.00 0.00 178.16 180.01 1uf2 s ARG 915 N -2.62 2.15 -0.25 4.88 0.52 -1.26 -5.09 118.95 117.29 1uf2 s ARG 915 Ca -0.16 -0.92 -0.42 0.00 -0.52 0.00 0.00 55.73 53.71 1uf2 s ARG 915 Cb -0.01 -2.18 -0.18 0.00 0.52 0.00 0.00 34.95 33.10 1uf2 s ARG 915 CO 0.74 0.56 1.51 -0.35 0.02 0.00 0.00 175.30 177.79 1uf2 n PRO 916 N 1.91 0.56 -2.40 3.54 -0.04 -1.26 -4.89 135.00 132.42 1uf2 n PRO 916 Ca -0.16 0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 1uf2 n PRO 916 Cb 0.52 -1.79 0.05 0.00 -0.04 0.00 0.00 33.50 32.24 1uf2 n PRO 916 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1uf2 s PRO 917 N 2.25 2.45 -0.25 0.54 0.04 -1.26 -2.14 135.00 136.62 1uf2 s PRO 917 Ca 0.97 -0.39 -0.08 0.00 0.04 0.00 0.00 61.00 61.54 1uf2 s PRO 917 Cb -1.23 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1uf2 s PRO 917 CO 0.67 -0.95 0.09 -1.17 0.04 0.00 0.00 177.00 175.68 1uf2 s LEU 918 N -5.03 3.56 -0.01 -3.56 2.96 -1.26 -4.48 118.68 110.86 1uf2 s LEU 918 Ca 0.58 -0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 54.09 1uf2 s LEU 918 Cb -0.11 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1uf2 s LEU 918 CO 0.43 -0.03 0.73 -0.22 -1.32 0.00 0.00 176.35 175.93 1uf2 s LEU 919 N 1.60 4.38 -0.30 -0.68 2.96 -1.25 -4.93 118.68 120.47 1uf2 s LEU 919 Ca 0.06 1.31 -0.11 0.00 -0.22 0.00 0.00 54.13 55.18 1uf2 s LEU 919 Cb -0.15 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1uf2 s LEU 919 CO 0.05 -0.05 0.18 -0.89 -1.32 0.00 0.00 176.35 174.32 1uf2 s THR 920 N 0.37 5.02 -0.18 3.68 2.01 -1.26 -1.58 115.64 123.69 1uf2 s THR 920 Ca 0.38 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 1uf2 s THR 920 Cb -0.19 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1uf2 s THR 920 CO 0.20 0.15 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.54 1uf2 s VAL 921 N 1.70 3.52 0.37 3.82 1.01 0.03 -4.97 120.40 125.87 1uf2 s VAL 921 Ca 0.06 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 1uf2 s VAL 921 Cb -0.16 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1uf2 s VAL 921 CO 0.09 0.46 0.72 -2.16 0.00 0.00 0.00 175.10 174.21 1uf2 s PRO 922 N 0.91 3.76 -0.14 2.72 0.04 -1.26 -1.41 135.00 139.62 1uf2 s PRO 922 Ca -0.01 0.38 -0.07 0.00 0.04 0.00 0.00 61.00 61.34 1uf2 s PRO 922 Cb -0.15 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 32.00 1uf2 s PRO 922 CO 0.01 0.04 0.33 -1.50 0.04 0.00 0.00 177.00 175.92 1uf2 s ILE 923 N -2.27 -0.10 -0.11 0.56 2.07 -0.91 -4.79 121.20 115.65 1uf2 s ILE 923 Ca 0.50 0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.89 1uf2 s ILE 923 Cb -0.10 -0.50 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 1uf2 s ILE 923 CO 0.30 0.06 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.33 1uf2 s THR 924 N 1.49 2.75 -0.16 4.00 2.01 -1.26 -2.24 115.64 122.23 1uf2 s THR 924 Ca -0.08 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 1uf2 s THR 924 Cb -0.10 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 1uf2 s THR 924 CO -0.11 0.54 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.59 1uf2 s ILE 925 N 0.16 2.74 -0.26 1.82 1.01 -0.64 -0.73 121.20 125.29 1uf2 s ILE 925 Ca -0.09 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 1uf2 s ILE 925 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1uf2 s ILE 925 CO 0.06 0.51 0.49 -0.83 0.00 0.00 0.00 174.94 175.16 1uf2 s GLY 926 N 0.83 1.85 0.01 6.18 0.00 0.59 -1.46 107.32 115.33 1uf2 s GLY 926 Ca -0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 44.72 43.89 1uf2 s GLY 926 CO -0.00 1.19 0.42 1.08 0.00 0.00 0.00 173.10 175.79 1uf2 s LEU 927 N 2.25 4.47 0.02 0.66 1.43 0.97 -0.63 118.68 127.85 1uf2 s LEU 927 Ca 0.20 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 1uf2 s LEU 927 Cb -0.16 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1uf2 s LEU 927 CO 0.09 0.31 1.22 0.21 0.23 0.00 0.00 176.35 178.41 1uf2 s ASN 928 N -1.12 7.05 -0.13 2.29 3.84 0.41 -1.14 114.94 126.14 1uf2 s ASN 928 Ca 0.25 1.96 0.17 0.00 0.21 0.00 0.00 52.86 55.45 1uf2 s ASN 928 Cb -0.17 -2.57 0.35 0.00 -0.55 0.00 0.00 41.25 38.31 1uf2 s ASN 928 CO 0.14 -0.53 1.19 -3.20 -2.79 0.00 0.00 177.10 171.91 1uf2 n ASN 929 N 4.48 0.26 -4.27 -4.21 5.15 -0.64 -4.16 115.26 111.87 1uf2 n ASN 929 Ca 0.10 -2.05 -0.37 0.00 -0.60 0.00 0.00 54.58 51.66 1uf2 n ASN 929 Cb 0.46 -0.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.64 1uf2 n ASN 929 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1uf2 n LEU 930 N -0.28 4.24 0.00 1.20 4.77 -1.12 -4.47 117.00 121.33 1uf2 n LEU 930 Ca -0.06 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.50 1uf2 n LEU 930 Cb 0.91 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1uf2 n LEU 930 CO -0.05 -0.64 0.00 0.61 -1.33 0.00 0.00 177.39 175.98 1uf2 n GLY 931 N 5.20 0.00 3.83 -0.72 0.00 -1.21 -2.73 105.19 109.55 1uf2 n GLY 931 Ca 0.48 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 1uf2 n GLY 931 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf2 s GLU 932 N 0.00 4.19 -1.01 1.61 2.02 -1.26 -4.46 118.70 119.79 1uf2 s GLU 932 Ca 0.00 0.98 -0.11 0.00 0.02 0.00 0.00 54.97 55.85 1uf2 s GLU 932 Cb 0.00 -2.36 0.25 0.00 0.10 0.00 0.00 34.13 32.12 1uf2 s GLU 932 CO 0.00 0.09 1.00 0.95 0.02 0.00 0.00 175.26 177.32 1uf2 s THR 933 N -2.02 5.80 0.00 3.63 -4.23 -1.25 -4.98 115.64 112.59 1uf2 s THR 933 Ca 0.57 -3.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.08 1uf2 s THR 933 Cb -0.11 -4.57 0.00 0.00 1.34 0.00 0.00 72.50 69.16 1uf2 s THR 933 CO 0.16 -1.16 0.00 0.59 -0.54 0.00 0.00 174.62 173.67 1uf2 n ASN 934 N 3.38 0.00 -4.65 3.99 3.02 -1.26 -4.79 115.26 114.94 1uf2 n ASN 934 Ca 0.21 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.32 1uf2 n ASN 934 Cb 0.42 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 1uf2 n ASN 934 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1uf2 n SER 935 N 0.00 2.16 0.00 6.41 2.88 -1.26 -4.88 113.62 118.92 1uf2 n SER 935 Ca 0.00 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1uf2 n SER 935 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 1uf2 n SER 935 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1uf2 n ASN 936 N 1.01 0.52 -4.76 -3.46 5.15 -1.26 -5.02 115.26 107.43 1uf2 n ASN 936 Ca 0.07 -0.76 -0.39 0.00 -0.60 0.00 0.00 54.58 52.90 1uf2 n ASN 936 Cb 0.34 0.45 0.01 0.00 -0.53 0.00 0.00 39.78 40.05 1uf2 n ASN 936 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1uf2 s THR 937 N -0.45 2.42 -0.19 -0.44 2.01 -1.26 -4.98 115.64 112.74 1uf2 s THR 937 Ca 0.00 0.36 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 1uf2 s THR 937 Cb 0.00 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1uf2 s THR 937 CO 0.00 0.04 0.14 -1.48 -0.69 0.00 0.00 174.62 172.63 1uf2 s LEU 938 N -2.74 4.22 -0.10 4.42 2.34 -1.26 -4.98 118.68 120.58 1uf2 s LEU 938 Ca 0.61 0.25 0.14 0.00 0.06 0.00 0.00 54.13 55.19 1uf2 s LEU 938 Cb -0.39 -2.10 0.27 0.00 -0.56 0.00 0.00 46.19 43.40 1uf2 s LEU 938 CO 0.50 0.19 1.13 -2.11 -1.06 0.00 0.00 176.35 175.00 1uf2 n ARG 939 N 3.43 0.88 -3.58 1.48 1.85 -1.26 -5.09 116.66 114.37 1uf2 n ARG 939 Ca -0.16 -2.28 -0.08 0.00 -1.00 0.00 0.00 57.85 54.33 1uf2 n ARG 939 Cb 0.52 -1.10 -0.04 0.00 -1.05 0.00 0.00 32.46 30.79 1uf2 n ARG 939 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uf2 s MET 940 N -1.91 0.48 0.36 2.89 0.23 -1.26 -5.15 119.30 114.95 1uf2 s MET 940 Ca 0.26 0.01 -0.27 0.00 -1.03 0.00 0.00 55.69 54.67 1uf2 s MET 940 Cb 0.25 0.22 -0.09 0.00 -1.53 0.00 0.00 34.83 33.68 1uf2 s MET 940 CO -0.02 -0.17 1.18 1.03 -2.03 0.00 0.00 175.02 175.01 1uf2 s ARG 941 N -1.60 4.23 0.39 3.16 0.52 -1.26 -4.90 118.95 119.50 1uf2 s ARG 941 Ca 0.03 1.90 0.13 0.00 -0.52 0.00 0.00 55.73 57.27 1uf2 s ARG 941 Cb -0.01 -2.85 0.96 0.00 0.52 0.00 0.00 34.95 33.57 1uf2 s ARG 941 CO -0.03 -0.18 1.88 1.03 0.02 0.00 0.00 175.30 178.02 1uf2 h SER 942 N 3.01 0.51 -0.56 0.23 0.87 -2.02 0.64 113.55 116.23 1uf2 h SER 942 Ca -0.48 0.04 0.13 0.00 -1.23 0.00 0.00 61.79 60.25 1uf2 h SER 942 Cb 1.23 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1uf2 h SER 942 CO 0.64 0.25 0.39 -0.33 -0.53 0.00 0.00 176.83 177.25 1uf2 h GLU 943 N 0.53 0.17 -0.21 2.24 5.08 -2.01 -2.18 114.58 118.20 1uf2 h GLU 943 Ca 0.43 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.62 1uf2 h GLU 943 Cb 0.87 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1uf2 h GLU 943 CO -0.17 0.11 -0.53 0.00 -1.00 0.00 0.00 179.01 177.41 1uf2 h ALA 944 N 1.72 0.67 -0.36 3.43 0.00 -1.23 -2.28 119.26 121.22 1uf2 h ALA 944 Ca 0.27 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1uf2 h ALA 944 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1uf2 h ALA 944 CO -0.04 0.68 0.07 0.82 0.00 0.00 0.00 179.25 180.79 1uf2 h ILE 945 N 0.47 1.23 -0.39 0.00 2.04 -1.46 -1.57 117.51 117.84 1uf2 h ILE 945 Ca 0.01 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.08 1uf2 h ILE 945 Cb 1.08 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1uf2 h ILE 945 CO 0.10 0.27 0.24 0.44 0.00 0.00 0.00 178.15 179.21 1uf2 h ASP 946 N 0.44 0.40 -0.73 1.72 3.32 -1.43 -1.42 116.42 118.72 1uf2 h ASP 946 Ca 0.11 -0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.28 1uf2 h ASP 946 Cb 0.33 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 1uf2 h ASP 946 CO 0.00 0.29 0.31 -0.08 -1.72 0.00 0.00 179.24 178.05 1uf2 h GLU 947 N 0.49 0.48 -0.06 3.56 4.81 -1.18 -1.64 114.58 121.04 1uf2 h GLU 947 Ca 0.15 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1uf2 h GLU 947 Cb -0.02 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1uf2 h GLU 947 CO -0.05 0.32 -0.28 -0.92 -0.73 0.00 0.00 179.01 177.34 1uf2 h TYR 948 N 0.49 -0.84 -0.04 0.92 3.20 -0.24 -0.45 116.97 120.02 1uf2 h TYR 948 Ca 0.39 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.30 1uf2 h TYR 948 Cb 0.52 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 1uf2 h TYR 948 CO -0.15 -0.28 0.28 0.74 -1.64 0.00 0.00 178.16 177.11 1uf2 h PHE 949 N -0.31 0.00 0.00 -3.82 -1.00 -0.80 -0.39 116.94 110.62 1uf2 h PHE 949 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1uf2 h PHE 949 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1uf2 h PHE 949 CO -0.51 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 175.06 1uf2 n SER 950 N -3.03 0.00 -0.18 2.17 3.41 -0.18 -1.12 113.62 114.70 1uf2 n SER 950 Ca -0.01 0.39 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 1uf2 n SER 950 Cb 0.34 -0.39 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1uf2 n SER 950 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1uf2 h SER 951 N 0.00 0.75 0.33 4.04 0.02 -1.18 -1.87 113.55 115.64 1uf2 h SER 951 Ca 0.00 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1uf2 h SER 951 Cb 0.01 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1uf2 h SER 951 CO 0.00 0.77 -0.07 1.88 -1.14 0.00 0.00 176.83 178.28 1uf2 h TYR 952 N 0.69 0.00 -3.53 3.45 -1.99 -1.36 -3.44 116.97 110.79 1uf2 h TYR 952 Ca 0.16 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.36 1uf2 h TYR 952 Cb 0.30 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 1uf2 h TYR 952 CO 0.02 0.07 0.16 0.08 -0.00 0.00 0.00 178.16 178.49 1uf2 s VAL 953 N -4.18 4.41 0.00 -2.88 1.01 -0.70 -4.22 120.40 113.83 1uf2 s VAL 953 Ca -0.03 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1uf2 s VAL 953 Cb 0.13 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1uf2 s VAL 953 CO 0.54 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.72 1uf2 n GLY 954 N 1.43 1.42 3.58 4.51 0.00 -0.19 -5.00 105.19 110.95 1uf2 n GLY 954 Ca -0.05 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1uf2 n GLY 954 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf2 n ALA 955 N 0.00 -0.07 -0.00 4.61 0.00 -1.24 -4.51 120.51 119.30 1uf2 n ALA 955 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1uf2 n ALA 955 Cb 0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 19.45 17.40 1uf2 n ALA 955 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uf2 n GLN 956 N -0.24 0.07 -4.23 0.00 6.02 -0.84 -2.46 117.38 115.70 1uf2 n GLN 956 Ca 0.11 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.76 1uf2 n GLN 956 Cb 0.43 -1.01 -0.16 0.00 1.02 0.00 0.00 30.24 30.52 1uf2 n GLN 956 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1uf2 s ILE 957 N -2.04 2.38 0.29 5.09 1.09 -0.32 0.38 121.20 128.06 1uf2 s ILE 957 Ca -0.00 -0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 58.67 1uf2 s ILE 957 Cb 0.00 -2.01 -0.01 0.00 -1.06 0.00 0.00 42.46 39.38 1uf2 s ILE 957 CO 0.02 0.52 0.38 -1.48 -0.10 0.00 0.00 174.94 174.28 1uf2 s LEU 958 N 1.18 0.94 -0.06 2.97 0.05 -0.38 -4.52 118.68 118.86 1uf2 s LEU 958 Ca 0.02 -1.35 0.00 0.00 0.05 0.00 0.00 54.13 52.85 1uf2 s LEU 958 Cb -0.14 1.21 0.02 0.00 -2.05 0.00 0.00 46.19 45.23 1uf2 s LEU 958 CO -0.08 -1.13 -0.04 -0.69 -0.55 0.00 0.00 176.35 173.86 1uf2 s VAL 959 N -3.59 0.56 0.28 1.48 1.01 -1.26 -1.19 120.40 117.69 1uf2 s VAL 959 Ca 0.31 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 1uf2 s VAL 959 Cb 0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 36.38 35.63 1uf2 s VAL 959 CO 0.16 0.25 0.73 -2.65 0.00 0.00 0.00 175.10 173.59 1uf2 n PRO 960 N 4.44 0.68 -0.13 2.72 -0.02 -1.26 -4.70 135.00 136.72 1uf2 n PRO 960 Ca -0.18 0.24 0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1uf2 n PRO 960 Cb 0.51 -1.45 0.43 0.00 -0.02 0.00 0.00 33.50 32.97 1uf2 n PRO 960 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1uf2 h ILE 961 N 1.38 0.94 -1.16 4.25 2.04 -1.44 -1.55 117.51 121.98 1uf2 h ILE 961 Ca -0.35 -0.19 0.33 0.00 1.00 0.00 0.00 64.86 65.64 1uf2 h ILE 961 Cb 1.39 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 1uf2 h ILE 961 CO 0.57 0.10 0.78 0.78 0.00 0.00 0.00 178.15 180.39 1uf2 h ASN 962 N 0.56 0.26 0.37 1.72 4.21 -1.88 0.20 115.58 121.02 1uf2 h ASN 962 Ca 0.30 0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.84 1uf2 h ASN 962 Cb 0.44 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1uf2 h ASN 962 CO -0.10 0.01 -0.17 1.62 -1.29 0.00 0.00 177.43 177.50 1uf2 h VAL 963 N 0.20 0.76 -2.92 2.81 3.04 -1.62 -3.39 116.25 115.13 1uf2 h VAL 963 Ca 0.63 -0.69 -0.55 0.00 -1.01 0.00 0.00 66.70 65.09 1uf2 h VAL 963 Cb 2.00 1.42 -0.07 0.00 -2.01 0.00 0.00 31.29 32.63 1uf2 h VAL 963 CO -0.22 0.17 1.05 -0.69 -1.01 0.00 0.00 177.57 176.88 1uf2 s VAL 964 N -4.24 3.86 -0.34 1.51 1.01 0.69 -4.98 120.40 117.92 1uf2 s VAL 964 Ca -0.03 0.74 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 1uf2 s VAL 964 Cb 0.14 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.95 1uf2 s VAL 964 CO 0.63 -1.28 0.84 -0.62 0.00 0.00 0.00 175.10 174.67 1uf2 s ASP 965 N 3.86 6.66 0.04 3.32 2.15 -1.26 -5.03 116.67 126.40 1uf2 s ASP 965 Ca 0.48 0.59 0.04 0.00 0.43 0.00 0.00 52.55 54.08 1uf2 s ASP 965 Cb -0.09 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1uf2 s ASP 965 CO 0.24 -0.73 -0.11 0.42 -0.17 0.00 0.00 175.17 174.83 1uf2 s THR 966 N 3.18 0.81 -0.20 1.71 -4.23 -1.26 -4.41 115.64 111.24 1uf2 s THR 966 Ca 0.34 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 1uf2 s THR 966 Cb -0.13 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.90 1uf2 s THR 966 CO 0.15 -0.14 0.02 -0.13 -0.54 0.00 0.00 174.62 173.98 1uf2 s ARG 967 N -1.22 3.71 -0.32 3.99 0.52 -0.42 -4.97 118.95 120.23 1uf2 s ARG 967 Ca -0.03 -0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 1uf2 s ARG 967 Cb -0.08 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.30 1uf2 s ARG 967 CO 0.01 0.08 0.10 0.08 0.02 0.00 0.00 175.30 175.59 1uf2 s VAL 968 N 0.84 3.89 -0.17 3.52 1.01 -1.26 -0.78 120.40 127.46 1uf2 s VAL 968 Ca 0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1uf2 s VAL 968 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1uf2 s VAL 968 CO 0.02 -0.07 0.03 -0.31 0.00 0.00 0.00 175.10 174.77 1uf2 s TYR 969 N 1.45 3.19 -0.13 5.22 4.12 0.25 -4.96 117.35 126.50 1uf2 s TYR 969 Ca 0.00 -0.02 0.12 0.00 0.02 0.00 0.00 57.07 57.19 1uf2 s TYR 969 Cb -0.18 -2.04 -0.16 0.00 -1.52 0.00 0.00 41.96 38.05 1uf2 s TYR 969 CO 0.03 0.11 0.05 -2.37 0.02 0.00 0.00 175.55 173.39 1uf2 n THR 970 N 3.49 0.89 -3.79 -0.71 5.66 -1.26 -0.55 114.28 118.02 1uf2 n THR 970 Ca -0.17 -0.56 -0.36 0.00 -3.05 0.00 0.00 64.05 59.92 1uf2 n THR 970 Cb 0.52 -0.64 -0.10 0.00 -1.55 0.00 0.00 70.33 68.56 1uf2 n THR 970 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1uf2 s GLU 971 N -2.32 3.97 0.36 1.09 0.41 -1.26 -4.90 118.70 116.04 1uf2 s GLU 971 Ca -0.06 -0.33 0.11 0.00 -0.41 0.00 0.00 54.97 54.27 1uf2 s GLU 971 Cb 0.04 -3.40 0.87 0.00 -1.78 0.00 0.00 34.13 29.86 1uf2 s GLU 971 CO 0.54 0.08 1.85 0.35 -0.49 0.00 0.00 175.26 177.59 1uf2 h PHE 972 N 7.39 0.79 -0.33 1.61 3.57 -1.96 -1.89 116.94 126.12 1uf2 h PHE 972 Ca -0.38 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.21 1uf2 h PHE 972 Cb 1.17 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.58 1uf2 h PHE 972 CO 0.64 0.25 -0.46 0.77 -2.23 0.00 0.00 178.31 177.28 1uf2 h SER 973 N 0.63 -1.50 -0.98 0.41 0.02 -1.99 -1.23 113.55 108.91 1uf2 h SER 973 Ca 0.48 0.21 0.10 0.00 -0.84 0.00 0.00 61.79 61.73 1uf2 h SER 973 Cb 0.86 0.63 -0.08 0.00 0.14 0.00 0.00 62.40 63.96 1uf2 h SER 973 CO -0.23 -0.40 0.62 -0.33 -1.14 0.00 0.00 176.83 175.35 1uf2 h GLU 974 N -0.39 1.01 -0.32 3.45 5.08 -1.77 -0.20 114.58 121.44 1uf2 h GLU 974 Ca 0.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1uf2 h GLU 974 Cb 0.60 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1uf2 h GLU 974 CO -0.53 0.67 0.10 1.25 -1.00 0.00 0.00 179.01 179.49 1uf2 h LEU 975 N 1.04 0.41 0.11 1.33 5.85 -1.17 -1.66 115.31 121.22 1uf2 h LEU 975 Ca 0.46 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 1uf2 h LEU 975 Cb 0.35 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1uf2 h LEU 975 CO -0.23 0.40 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.13 1uf2 h ARG 976 N 0.45 -0.14 -0.41 1.25 2.43 -0.46 -2.93 114.38 114.56 1uf2 h ARG 976 Ca 0.11 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.41 1uf2 h ARG 976 Cb 0.14 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1uf2 h ARG 976 CO -0.01 0.33 0.43 -0.91 -1.51 0.00 0.00 179.97 178.29 1uf2 h ASN 977 N -0.90 0.00 0.13 -3.80 2.35 -0.95 0.30 115.58 112.71 1uf2 h ASN 977 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1uf2 h ASN 977 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1uf2 h ASN 977 CO 0.03 0.00 -0.06 0.15 -1.65 0.00 0.00 177.43 175.89 1uf2 h PHE 978 N 0.00 -0.16 -0.69 1.19 3.57 -1.33 -3.30 116.94 116.23 1uf2 h PHE 978 Ca 0.20 -0.00 -0.72 0.00 3.53 0.00 0.00 57.97 60.97 1uf2 h PHE 978 Cb 1.04 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.76 1uf2 h PHE 978 CO 0.00 0.31 2.84 1.19 -2.23 0.00 0.00 178.31 180.42 1uf2 n PHE 979 N -4.90 2.80 -3.73 0.41 3.01 0.10 -4.55 117.46 110.61 1uf2 n PHE 979 Ca -0.08 -2.92 -0.15 0.00 1.01 0.00 0.00 57.45 55.31 1uf2 n PHE 979 Cb 0.27 -2.17 -0.16 0.00 -0.01 0.00 0.00 39.48 37.42 1uf2 n PHE 979 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1uf2 s THR 980 N 0.91 -0.10 -0.28 4.37 2.01 -1.07 -3.70 115.64 117.78 1uf2 s THR 980 Ca 0.53 0.26 -0.20 0.00 0.31 0.00 0.00 61.69 62.59 1uf2 s THR 980 Cb 0.15 -0.20 0.13 0.00 0.01 0.00 0.00 72.50 72.59 1uf2 s THR 980 CO -0.06 0.11 0.96 -0.83 -0.69 0.00 0.00 174.62 174.11 1uf2 s GLY 981 N 1.51 -0.15 0.28 4.40 0.00 -0.97 -4.22 107.32 108.17 1uf2 s GLY 981 Ca -0.05 2.82 0.07 0.00 0.00 0.00 0.00 44.72 47.56 1uf2 s GLY 981 CO -0.05 2.20 0.28 0.51 0.00 0.00 0.00 173.10 176.04 1uf2 s ASP 982 N 0.83 5.65 0.01 1.64 1.47 -1.26 -1.69 116.67 123.33 1uf2 s ASP 982 Ca -0.03 -0.25 -0.03 0.00 1.18 0.00 0.00 52.55 53.42 1uf2 s ASP 982 Cb -0.04 -1.35 -0.01 0.00 -0.34 0.00 0.00 42.92 41.17 1uf2 s ASP 982 CO -0.11 -0.17 0.04 0.68 0.68 0.00 0.00 175.17 176.29 1uf2 s VAL 983 N -2.16 0.09 -0.12 2.11 -7.23 -0.92 -4.97 120.40 107.20 1uf2 s VAL 983 Ca 0.37 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1uf2 s VAL 983 Cb -0.08 -0.32 0.01 0.00 0.56 0.00 0.00 36.38 36.55 1uf2 s VAL 983 CO 0.27 -0.42 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.74 1uf2 s VAL 984 N -1.34 1.90 0.05 1.32 1.01 -1.26 -0.60 120.40 121.47 1uf2 s VAL 984 Ca -0.15 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1uf2 s VAL 984 Cb -0.08 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1uf2 s VAL 984 CO 0.00 0.52 -0.15 0.27 0.00 0.00 0.00 175.10 175.74 1uf2 s ILE 985 N 0.77 1.19 0.05 2.22 -5.25 -0.88 -4.97 121.20 114.33 1uf2 s ILE 985 Ca -0.09 -1.12 -0.30 0.00 -0.99 0.00 0.00 60.65 58.14 1uf2 s ILE 985 Cb -0.16 -1.09 -0.05 0.00 2.95 0.00 0.00 42.46 44.11 1uf2 s ILE 985 CO 0.00 -0.04 1.14 -0.60 -1.79 0.00 0.00 174.94 173.65 1uf2 s ARG 986 N -1.33 4.48 0.15 0.37 3.52 -1.26 -2.16 118.95 122.72 1uf2 s ARG 986 Ca 0.01 1.68 -0.19 0.00 -0.13 0.00 0.00 55.73 57.10 1uf2 s ARG 986 Cb -0.09 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1uf2 s ARG 986 CO 0.02 -0.18 1.67 -0.44 -0.81 0.00 0.00 175.30 175.56 1uf2 h ASP 987 N 6.67 -0.37 -3.33 -2.12 3.45 -1.37 -3.39 116.42 115.96 1uf2 h ASP 987 Ca -0.42 0.10 -0.65 0.00 0.43 0.00 0.00 57.03 56.50 1uf2 h ASP 987 Cb 1.22 0.22 -0.25 0.00 -0.56 0.00 0.00 39.33 39.96 1uf2 h ASP 987 CO 0.79 -0.14 -0.71 -1.81 -1.57 0.00 0.00 179.24 175.80 1uf2 s ASP 988 N -5.18 4.44 0.75 6.45 1.01 -1.26 -5.09 116.67 117.79 1uf2 s ASP 988 Ca -0.14 -0.25 -0.15 0.00 0.71 0.00 0.00 52.55 52.72 1uf2 s ASP 988 Cb 0.13 -1.72 0.02 0.00 1.01 0.00 0.00 42.92 42.35 1uf2 s ASP 988 CO 0.69 0.13 0.90 -0.81 0.21 0.00 0.00 175.17 176.30 1uf2 n PRO 989 N 3.78 0.36 -2.16 8.23 -0.04 -1.26 -4.94 135.00 138.97 1uf2 n PRO 989 Ca -0.18 0.18 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1uf2 n PRO 989 Cb 0.52 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.82 1uf2 n PRO 989 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1uf2 s PHE 990 N -1.93 2.61 -0.35 0.54 0.40 -1.26 -4.98 117.98 113.00 1uf2 s PHE 990 Ca 0.71 1.54 -0.13 0.00 -0.60 0.00 0.00 56.93 58.44 1uf2 s PHE 990 Cb -0.33 -3.32 -0.01 0.00 0.51 0.00 0.00 43.02 39.88 1uf2 s PHE 990 CO 0.53 -1.71 0.26 0.34 0.70 0.00 0.00 175.22 175.34 1uf2 s ASP 991 N -1.82 6.08 -0.08 1.36 2.15 -0.93 -4.99 116.67 118.44 1uf2 s ASP 991 Ca 0.73 -0.49 -0.04 0.00 0.43 0.00 0.00 52.55 53.18 1uf2 s ASP 991 Cb -0.25 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1uf2 s ASP 991 CO 0.29 -0.29 0.09 -0.69 -0.17 0.00 0.00 175.17 174.41 1uf2 s VAL 992 N 1.75 4.99 0.52 1.11 1.01 -1.26 -0.05 120.40 128.47 1uf2 s VAL 992 Ca 0.06 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1uf2 s VAL 992 Cb -0.18 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1uf2 s VAL 992 CO 0.11 0.55 0.22 0.26 0.00 0.00 0.00 175.10 176.24 1uf2 s TRP 993 N -1.03 1.79 0.55 5.22 0.51 0.45 -4.93 118.94 121.50 1uf2 s TRP 993 Ca 0.16 -0.87 0.05 0.00 -2.12 0.00 0.00 56.10 53.32 1uf2 s TRP 993 Cb -0.12 -1.79 0.06 0.00 -0.81 0.00 0.00 33.47 30.81 1uf2 s TRP 993 CO 0.06 -0.14 0.75 -0.51 -0.51 0.00 0.00 176.95 176.60 1uf2 s ASP 994 N -4.09 5.19 1.28 2.95 1.01 -1.26 -4.53 116.67 117.22 1uf2 s ASP 994 Ca 0.22 -0.41 -0.19 0.00 0.71 0.00 0.00 52.55 52.88 1uf2 s ASP 994 Cb -0.00 -0.36 0.29 0.00 1.01 0.00 0.00 42.92 43.85 1uf2 s ASP 994 CO 0.14 -1.20 0.89 0.61 0.21 0.00 0.00 175.17 175.82 1uf2 n GLY 995 N -2.25 -3.10 3.03 0.21 0.00 -1.26 -4.77 105.19 97.05 1uf2 n GLY 995 Ca 0.11 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 1uf2 n GLY 995 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uf2 s VAL 996 N -2.49 0.79 -0.36 1.61 1.01 -1.26 -5.09 120.40 114.61 1uf2 s VAL 996 Ca 0.61 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1uf2 s VAL 996 Cb -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1uf2 s VAL 996 CO 0.48 0.23 1.33 -0.54 0.00 0.00 0.00 175.10 176.60 1uf2 s LYS 997 N -0.14 3.76 -1.05 2.72 1.02 -1.26 -4.91 119.74 119.89 1uf2 s LYS 997 Ca 0.02 1.07 -0.23 0.00 0.02 0.00 0.00 55.97 56.85 1uf2 s LYS 997 Cb -0.05 -3.94 0.01 0.00 -0.52 0.00 0.00 37.83 33.33 1uf2 s LYS 997 CO -0.00 -1.32 1.71 0.00 -0.92 0.00 0.00 175.35 174.81 1uf2 s ALA 998 N 4.81 2.36 -0.11 5.17 0.00 -1.26 -4.96 121.76 127.77 1uf2 s ALA 998 Ca 0.58 -2.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.24 1uf2 s ALA 998 Cb -0.15 -4.57 -0.04 0.00 0.00 0.00 0.00 23.12 18.36 1uf2 s ALA 998 CO 0.28 -4.14 0.48 0.99 0.00 0.00 0.00 175.76 173.36 1uf2 s THR 999 N 7.19 5.18 0.01 0.00 2.01 -1.26 -4.49 115.64 124.28 1uf2 s THR 999 Ca 0.57 0.96 0.03 0.00 0.31 0.00 0.00 61.69 63.56 1uf2 s THR 999 Cb -0.02 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1uf2 s THR 999 CO -0.02 0.33 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.89 1uf2 s TYR 1000N 0.59 2.95 0.20 4.92 1.51 -1.26 -0.82 117.35 125.43 1uf2 s TYR 1000Ca 0.26 -0.00 0.08 0.00 -1.01 0.00 0.00 57.07 56.40 1uf2 s TYR 1000Cb -0.15 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1uf2 s TYR 1000CO 0.10 0.41 -0.15 0.96 -1.11 0.00 0.00 175.55 175.76 1uf2 s ILE 1001N -1.04 1.77 0.65 2.71 -4.36 -0.30 -4.86 121.20 115.77 1uf2 s ILE 1001Ca 0.18 -2.18 -0.15 0.00 -0.26 0.00 0.00 60.65 58.25 1uf2 s ILE 1001Cb -0.11 -2.02 -0.00 0.00 1.25 0.00 0.00 42.46 41.57 1uf2 s ILE 1001CO 0.09 -0.55 1.10 -2.16 0.24 0.00 0.00 174.94 173.66 1uf2 s PRO 1002N -3.51 2.89 0.21 0.37 0.04 -1.26 -0.96 135.00 132.77 1uf2 s PRO 1002Ca 0.22 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 1uf2 s PRO 1002Cb -0.02 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1uf2 s PRO 1002CO 0.07 -1.17 0.35 -1.50 0.04 0.00 0.00 177.00 174.79 1uf2 s ILE 1003N -2.41 0.03 0.24 0.56 1.10 -0.74 -4.76 121.20 115.22 1uf2 s ILE 1003Ca 0.66 -1.46 0.00 0.00 -0.51 0.00 0.00 60.65 59.34 1uf2 s ILE 1003Cb -0.19 -2.08 0.00 0.00 0.15 0.00 0.00 42.46 40.33 1uf2 s ILE 1003CO 0.42 -0.12 0.00 0.61 -2.11 0.00 0.00 174.94 173.74 1uf2 n GLY 1004N -0.30 -2.71 3.61 1.50 0.00 -1.26 -4.68 105.19 101.35 1uf2 n GLY 1004Ca -0.04 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1uf2 n GLY 1004CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf2 s VAL 1005N -3.21 3.79 -0.08 1.61 0.11 -1.26 -5.12 120.40 116.24 1uf2 s VAL 1005Ca 0.00 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1uf2 s VAL 1005Cb 0.00 -2.62 -0.03 0.00 -1.53 0.00 0.00 36.38 32.20 1uf2 s VAL 1005CO 0.00 0.47 -0.06 -1.00 -3.33 0.00 0.00 175.10 171.19 1uf2 s HIS 1006N -0.94 2.97 0.21 1.54 3.76 -1.26 -5.12 115.29 116.44 1uf2 s HIS 1006Ca 0.16 -0.01 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 1uf2 s HIS 1006Cb -0.11 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.85 1uf2 s HIS 1006CO 0.06 0.30 0.22 0.41 -0.85 0.00 0.00 174.74 174.87 1uf2 n GLY 1007N 2.39 2.45 3.65 -2.22 0.00 -1.26 -5.02 105.19 105.18 1uf2 n GLY 1007Ca -0.18 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.26 1uf2 n GLY 1007CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uf2 s VAL 1008N -0.66 5.10 -0.22 1.61 1.01 -1.26 -4.61 120.40 121.38 1uf2 s VAL 1008Ca 0.17 0.93 -0.05 0.00 0.00 0.00 0.00 61.98 63.02 1uf2 s VAL 1008Cb -0.01 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1uf2 s VAL 1008CO 0.11 0.16 0.01 -0.13 0.00 0.00 0.00 175.10 175.24 1uf2 s ARG 1009N 1.78 3.55 0.17 2.72 0.52 -1.26 -5.10 118.95 121.33 1uf2 s ARG 1009Ca 0.23 -0.54 -0.15 0.00 -0.52 0.00 0.00 55.73 54.75 1uf2 s ARG 1009Cb -0.15 -3.12 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 1uf2 s ARG 1009CO 0.09 -0.11 0.59 -0.51 0.02 0.00 0.00 175.30 175.38 1uf2 s LEU 1010N 1.33 4.32 0.19 2.53 1.43 -1.26 -4.66 118.68 122.56 1uf2 s LEU 1010Ca 0.04 1.14 -0.33 0.00 -1.03 0.00 0.00 54.13 53.96 1uf2 s LEU 1010Cb -0.15 -3.38 -0.15 0.00 0.03 0.00 0.00 46.19 42.54 1uf2 s LEU 1010CO 0.01 0.07 1.31 -0.67 0.23 0.00 0.00 176.35 177.30 1uf2 n ASP 1011N 0.69 2.10 -0.00 2.29 -0.08 -1.26 -4.90 116.55 115.38 1uf2 n ASP 1011Ca -0.04 1.13 -0.03 0.00 -1.51 0.00 0.00 54.79 54.34 1uf2 n ASP 1011Cb 0.52 -1.32 0.21 0.00 2.34 0.00 0.00 41.12 42.87 1uf2 n ASP 1011CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1uf2 h PRO 1012N 4.05 0.53 0.00 -0.67 0.13 -1.95 -3.28 132.00 130.81 1uf2 h PRO 1012Ca -0.44 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.49 1uf2 h PRO 1012Cb 1.31 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1uf2 h PRO 1012CO 0.75 0.68 -0.62 -0.91 -0.23 0.00 0.00 178.00 177.67 1uf2 h ASN 1013N 0.48 0.00 -4.01 1.44 2.35 -1.98 -3.51 115.58 110.35 1uf2 h ASN 1013Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1uf2 h ASN 1013Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1uf2 h ASN 1013CO 0.04 0.10 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1uf2 n GLY 1014N 1.17 -2.16 3.50 2.83 0.00 -1.24 -4.89 105.19 104.41 1uf2 n GLY 1014Ca 0.01 -1.47 -0.47 0.00 0.00 0.00 0.00 46.02 44.08 1uf2 n GLY 1014CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uf2 n ASP 1015N 0.41 0.15 -4.86 1.61 10.43 -1.26 -4.95 116.55 118.08 1uf2 n ASP 1015Ca 0.00 1.15 -0.32 0.00 2.57 0.00 0.00 54.79 58.19 1uf2 n ASP 1015Cb 0.00 -1.12 -0.05 0.00 1.84 0.00 0.00 41.12 41.79 1uf2 n ASP 1015CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1uf2 s GLN 1016N -1.09 3.88 0.53 -1.24 -0.21 -1.26 -5.05 119.66 115.23 1uf2 s GLN 1016Ca 0.64 0.46 -0.21 0.00 0.02 0.00 0.00 55.36 56.28 1uf2 s GLN 1016Cb -0.85 -2.52 -0.06 0.00 1.00 0.00 0.00 33.01 30.59 1uf2 s GLN 1016CO 0.57 0.19 1.20 -1.25 -2.12 0.00 0.00 175.29 173.89 1uf2 s PRO 1017N -3.06 3.35 1.19 2.91 0.04 -1.26 -4.99 135.00 133.18 1uf2 s PRO 1017Ca 0.51 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 63.19 1uf2 s PRO 1017Cb -0.11 -2.17 0.30 0.00 0.04 0.00 0.00 34.50 32.57 1uf2 s PRO 1017CO 0.21 -0.91 0.84 -0.35 0.04 0.00 0.00 177.00 176.83 1uf2 n PRO 1018N -1.05 -3.82 -0.57 0.56 -0.04 -1.26 -5.29 135.00 123.52 1uf2 n PRO 1018Ca 0.10 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1uf2 n PRO 1018Cb 0.48 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1uf2 n PRO 1018CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35