#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf2 s SER 51 N 0.00 6.27 -0.65 1.69 0.01 -1.26 -5.00 113.70 114.76 1uf2 s SER 51 Ca 0.00 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 1uf2 s SER 51 Cb 0.00 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.87 1uf2 s SER 51 CO 0.00 -1.33 0.46 -0.69 0.41 0.00 0.00 173.24 172.08 1uf2 s VAL 52 N 5.53 3.59 0.28 3.43 1.01 -1.26 -4.99 120.40 127.99 1uf2 s VAL 52 Ca 0.76 -3.19 -0.29 0.00 0.00 0.00 0.00 61.98 59.25 1uf2 s VAL 52 Cb -0.27 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1uf2 s VAL 52 CO 0.31 -0.90 1.33 -0.69 0.00 0.00 0.00 175.10 175.15 1uf2 s VAL 53 N -0.33 2.85 0.26 2.92 1.01 -1.26 -4.88 120.40 120.97 1uf2 s VAL 53 Ca 0.19 0.78 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 1uf2 s VAL 53 Cb -0.19 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 1uf2 s VAL 53 CO -0.04 0.16 0.63 -0.55 0.00 0.00 0.00 175.10 175.29 1uf2 s SER 54 N -0.11 6.70 0.05 3.32 0.15 -1.13 -4.99 113.70 117.69 1uf2 s SER 54 Ca 0.53 1.08 0.24 0.00 0.70 0.00 0.00 55.95 58.50 1uf2 s SER 54 Cb -0.39 -2.29 0.35 0.00 -1.71 0.00 0.00 66.02 61.98 1uf2 s SER 54 CO 0.47 -0.12 1.30 -1.14 1.20 0.00 0.00 173.24 174.95 1uf2 n ARG 55 N -0.17 0.15 -3.46 5.44 0.63 -1.26 -4.48 116.66 113.51 1uf2 n ARG 55 Ca 0.01 0.03 -0.27 0.00 -0.92 0.00 0.00 57.85 56.70 1uf2 n ARG 55 Cb 0.53 -1.58 -0.11 0.00 0.45 0.00 0.00 32.46 31.75 1uf2 n ARG 55 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1uf2 s THR 56 N -3.09 0.60 0.42 5.15 -4.23 -1.26 -4.82 115.64 108.41 1uf2 s THR 56 Ca 0.08 -2.68 0.12 0.00 -1.18 0.00 0.00 61.69 58.03 1uf2 s THR 56 Cb 0.16 -1.42 0.18 0.00 1.34 0.00 0.00 72.50 72.75 1uf2 s THR 56 CO 0.73 -1.17 1.97 -0.65 -0.54 0.00 0.00 174.62 174.96 1uf2 h PRO 57 N 5.84 0.13 -2.73 3.99 0.11 -1.84 -3.35 132.00 134.14 1uf2 h PRO 57 Ca 0.22 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.70 1uf2 h PRO 57 Cb 0.90 -0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.59 1uf2 h PRO 57 CO 0.39 0.26 -0.75 -0.89 -0.21 0.00 0.00 178.00 176.81 1uf2 n ILE 58 N -4.32 0.48 -1.83 4.15 5.41 -1.26 -4.89 119.36 117.09 1uf2 n ILE 58 Ca -0.01 -4.29 -0.41 0.00 1.00 0.00 0.00 62.75 59.03 1uf2 n ILE 58 Cb 0.24 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.19 1uf2 n ILE 58 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1uf2 s PRO 59 N -0.91 4.14 0.32 0.38 0.04 -1.26 -4.93 135.00 132.78 1uf2 s PRO 59 Ca 0.29 2.53 -0.27 0.00 0.04 0.00 0.00 61.00 63.59 1uf2 s PRO 59 Cb 0.01 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 1uf2 s PRO 59 CO -0.17 -0.54 1.02 -0.51 0.04 0.00 0.00 177.00 176.84 1uf2 s LEU 60 N -1.41 4.38 0.17 -3.56 2.01 -1.26 -4.87 118.68 114.13 1uf2 s LEU 60 Ca 0.57 2.04 0.09 0.00 0.01 0.00 0.00 54.13 56.84 1uf2 s LEU 60 Cb -0.46 -3.90 -0.04 0.00 0.01 0.00 0.00 46.19 41.79 1uf2 s LEU 60 CO 0.56 -0.19 -0.20 -0.55 1.01 0.00 0.00 176.35 176.98 1uf2 s SER 61 N -1.33 2.82 0.01 2.29 0.15 0.45 -5.02 113.70 113.08 1uf2 s SER 61 Ca 0.50 -0.85 -0.06 0.00 0.70 0.00 0.00 55.95 56.24 1uf2 s SER 61 Cb -0.25 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1uf2 s SER 61 CO 0.31 0.01 0.27 -0.54 1.20 0.00 0.00 173.24 174.48 1uf2 s LYS 62 N -2.69 3.58 0.07 5.44 1.02 -1.26 -1.24 119.74 124.66 1uf2 s LYS 62 Ca 0.16 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1uf2 s LYS 62 Cb -0.07 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1uf2 s LYS 62 CO 0.07 0.64 -0.05 -1.50 -0.92 0.00 0.00 175.35 173.60 1uf2 s ILE 63 N -1.32 0.44 0.03 2.17 1.10 -0.32 -4.84 121.20 118.45 1uf2 s ILE 63 Ca 0.28 -1.87 -0.01 0.00 -0.51 0.00 0.00 60.65 58.54 1uf2 s ILE 63 Cb -0.13 -1.60 -0.04 0.00 0.15 0.00 0.00 42.46 40.84 1uf2 s ILE 63 CO 0.17 -0.94 0.17 -0.83 -2.11 0.00 0.00 174.94 171.40 1uf2 s GLY 64 N -2.98 2.15 0.41 1.50 0.00 -1.26 -2.08 107.32 105.05 1uf2 s GLY 64 Ca 0.09 -0.83 0.18 0.00 0.00 0.00 0.00 44.72 44.17 1uf2 s GLY 64 CO -0.08 -0.76 1.80 -2.00 0.00 0.00 0.00 173.10 172.07 1uf2 h LEU 65 N 3.53 0.43 -1.36 0.66 5.85 -1.97 0.38 115.31 122.84 1uf2 h LEU 65 Ca -0.47 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1uf2 h LEU 65 Cb 1.17 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1uf2 h LEU 65 CO 0.70 0.12 0.08 0.06 -0.34 0.00 0.00 178.44 179.07 1uf2 h GLN 66 N 0.40 0.52 0.00 1.25 -0.00 -1.91 -2.75 115.11 112.62 1uf2 h GLN 66 Ca 0.55 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 59.12 1uf2 h GLN 66 Cb 1.40 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 1uf2 h GLN 66 CO -0.25 0.48 0.00 -0.25 -0.00 0.00 0.00 178.83 178.81 1uf2 n ASP 67 N -4.34 0.00 -4.74 0.06 8.00 0.12 -4.78 116.55 110.87 1uf2 n ASP 67 Ca 0.02 -0.37 -0.41 0.00 0.71 0.00 0.00 54.79 54.73 1uf2 n ASP 67 Cb 0.18 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.25 3.17 -0.17 2.53 1.01 -1.04 -4.95 120.40 118.70 1uf2 s VAL 68 Ca 0.26 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 1uf2 s VAL 68 Cb 0.14 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1uf2 s VAL 68 CO 0.27 0.14 1.16 -0.75 0.00 0.00 0.00 175.10 175.92 1uf2 s LYS 69 N -0.03 4.27 0.14 2.72 2.20 -1.26 -5.01 119.74 122.77 1uf2 s LYS 69 Ca 0.58 1.54 -0.25 0.00 -0.36 0.00 0.00 55.97 57.48 1uf2 s LYS 69 Cb -0.37 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.19 1uf2 s LYS 69 CO 0.38 -0.62 0.76 -1.59 -0.36 0.00 0.00 175.35 173.91 1uf2 s LYS 70 N 3.15 4.53 0.00 4.03 -2.85 -1.26 -4.91 119.74 122.43 1uf2 s LYS 70 Ca 0.51 1.11 0.22 0.00 -1.00 0.00 0.00 55.97 56.81 1uf2 s LYS 70 Cb -0.20 -3.27 0.02 0.00 -2.06 0.00 0.00 37.83 32.33 1uf2 s LYS 70 CO 0.13 0.54 1.09 1.28 0.10 0.00 0.00 175.35 178.48 1uf2 n LEU 71 N 1.77 2.15 -4.24 2.77 4.77 -1.26 -4.82 117.00 118.15 1uf2 n LEU 71 Ca -0.06 -0.80 -0.18 0.00 -0.03 0.00 0.00 56.01 54.94 1uf2 n LEU 71 Cb 0.49 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1uf2 n LEU 71 CO 0.46 0.39 -0.45 -0.36 -1.33 0.00 0.00 177.39 176.10 1uf2 s PHE 72 N -2.31 1.40 0.02 -1.77 0.40 -1.26 -1.45 117.98 113.01 1uf2 s PHE 72 Ca 0.19 -0.55 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1uf2 s PHE 72 Cb 0.18 -0.74 -0.03 0.00 0.51 0.00 0.00 43.02 42.95 1uf2 s PHE 72 CO 0.50 0.14 -0.25 -0.51 0.70 0.00 0.00 175.22 175.80 1uf2 s ASP 73 N -2.39 3.20 -0.14 1.36 1.01 0.47 -4.77 116.67 115.41 1uf2 s ASP 73 Ca 0.08 -0.53 0.01 0.00 0.71 0.00 0.00 52.55 52.82 1uf2 s ASP 73 Cb -0.05 -0.34 -0.01 0.00 1.01 0.00 0.00 42.92 43.53 1uf2 s ASP 73 CO 0.03 0.28 -0.16 -0.63 0.21 0.00 0.00 175.17 174.90 1uf2 s ILE 74 N -0.75 2.75 -0.07 0.77 1.01 -1.26 -1.81 121.20 121.84 1uf2 s ILE 74 Ca 0.11 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1uf2 s ILE 74 Cb -0.10 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 1uf2 s ILE 74 CO 0.01 0.52 -0.23 0.20 0.00 0.00 0.00 174.94 175.45 1uf2 s ASN 75 N 0.55 3.25 -0.11 3.58 0.01 -0.22 -4.97 114.94 117.02 1uf2 s ASN 75 Ca -0.10 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1uf2 s ASN 75 Cb -0.16 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.50 1uf2 s ASN 75 CO 0.04 0.23 -0.23 0.54 -1.51 0.00 0.00 177.10 176.17 1uf2 s VAL 76 N -0.08 2.11 0.00 1.60 0.11 -1.26 -0.15 120.40 122.72 1uf2 s VAL 76 Ca -0.05 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.99 1uf2 s VAL 76 Cb -0.14 -1.81 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1uf2 s VAL 76 CO 0.04 0.56 0.01 0.27 -3.33 0.00 0.00 175.10 172.65 1uf2 s ILE 77 N 0.43 0.05 -0.55 7.04 -4.36 -0.36 -5.00 121.20 118.46 1uf2 s ILE 77 Ca -0.16 -0.45 -0.18 0.00 -0.26 0.00 0.00 60.65 59.60 1uf2 s ILE 77 Cb -0.17 -0.17 0.09 0.00 1.25 0.00 0.00 42.46 43.45 1uf2 s ILE 77 CO 0.07 -0.25 0.62 -0.54 0.24 0.00 0.00 174.94 175.08 1uf2 s LYS 78 N -0.73 3.05 -0.22 0.37 1.02 -1.26 0.17 119.74 122.13 1uf2 s LYS 78 Ca -0.08 -1.26 -0.29 0.00 0.02 0.00 0.00 55.97 54.35 1uf2 s LYS 78 Cb -0.05 -4.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.04 1uf2 s LYS 78 CO -0.00 -1.37 1.39 0.00 -0.92 0.00 0.00 175.35 174.45 1uf2 n GLY 80 N 4.17 4.09 3.36 0.00 0.00 0.32 -1.13 105.19 116.01 1uf2 n GLY 80 Ca 0.16 -2.14 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.30 3.04 -0.01 1.61 0.15 -1.26 -4.42 113.70 111.51 1uf2 s SER 81 Ca 0.01 -0.79 0.18 0.00 0.70 0.00 0.00 55.95 56.05 1uf2 s SER 81 Cb 0.00 -0.20 -0.23 0.00 -1.71 0.00 0.00 66.02 63.88 1uf2 s SER 81 CO 0.01 0.09 0.65 -1.54 1.20 0.00 0.00 173.24 173.64 1uf2 n SER 82 N 0.63 0.81 -0.06 5.45 3.41 -1.26 -4.49 113.62 118.10 1uf2 n SER 82 Ca -0.16 -0.61 -0.15 0.00 -0.26 0.00 0.00 58.87 57.70 1uf2 n SER 82 Cb 0.55 1.30 -0.14 0.00 -0.26 0.00 0.00 64.21 65.65 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 -1.68 1.68 -4.67 1.04 7.94 -1.26 -4.99 117.00 115.06 1uf2 n LEU 83 Ca 0.01 0.13 -0.27 0.00 -1.11 0.00 0.00 56.01 54.77 1uf2 n LEU 83 Cb 0.35 -0.38 -0.10 0.00 0.53 0.00 0.00 43.42 43.83 1uf2 n LEU 83 CO 0.38 0.68 -0.24 -0.60 -1.11 0.00 0.00 177.39 176.50 1uf2 s ARG 84 N -2.54 2.06 -0.58 1.96 6.06 -1.26 -5.09 118.95 119.56 1uf2 s ARG 84 Ca -0.18 -2.01 -0.10 0.00 -2.50 0.00 0.00 55.73 50.94 1uf2 s ARG 84 Cb 0.07 -1.77 0.15 0.00 0.06 0.00 0.00 34.95 33.46 1uf2 s ARG 84 CO 0.76 -0.08 0.46 0.42 -2.50 0.00 0.00 175.30 174.36 1uf2 s ILE 85 N -2.67 4.53 -0.24 4.11 1.09 -1.26 -4.70 121.20 122.06 1uf2 s ILE 85 Ca 0.37 -2.08 -0.14 0.00 -1.10 0.00 0.00 60.65 57.70 1uf2 s ILE 85 Cb 0.08 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 1uf2 s ILE 85 CO 0.20 -0.86 0.33 0.68 -0.10 0.00 0.00 174.94 175.19 1uf2 s VAL 86 N 0.92 5.23 0.33 2.92 -7.23 -1.26 -4.96 120.40 116.35 1uf2 s VAL 86 Ca 0.10 0.51 0.08 0.00 -1.81 0.00 0.00 61.98 60.85 1uf2 s VAL 86 Cb -0.23 -3.66 0.09 0.00 0.56 0.00 0.00 36.38 33.15 1uf2 s VAL 86 CO -0.02 0.23 1.80 0.44 -0.31 0.00 0.00 175.10 177.23 1uf2 h ASP 87 N 7.82 0.24 -3.29 4.85 3.32 -2.04 -3.39 116.42 123.92 1uf2 h ASP 87 Ca -0.34 -0.08 -0.58 0.00 0.02 0.00 0.00 57.03 56.05 1uf2 h ASP 87 Cb 1.17 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 40.25 1uf2 h ASP 87 CO 0.66 0.53 -0.76 -1.61 -1.72 0.00 0.00 179.24 176.34 1uf2 s GLU 88 N -4.40 0.90 0.83 3.56 2.02 -1.26 -5.12 118.70 115.22 1uf2 s GLU 88 Ca -0.05 -0.98 -0.11 0.00 0.02 0.00 0.00 54.97 53.85 1uf2 s GLU 88 Cb 0.14 -2.19 0.09 0.00 0.10 0.00 0.00 34.13 32.27 1uf2 s GLU 88 CO 0.75 -0.85 1.09 -1.25 0.02 0.00 0.00 175.26 175.02 1uf2 s PRO 89 N 1.58 1.80 -0.48 0.39 0.04 -1.26 -4.97 135.00 132.10 1uf2 s PRO 89 Ca 0.05 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1uf2 s PRO 89 Cb -0.18 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1uf2 s PRO 89 CO -0.17 -1.91 0.80 -1.14 0.04 0.00 0.00 177.00 174.61 1uf2 s GLN 90 N -4.93 3.34 -0.15 4.56 2.00 -0.28 -4.85 119.66 119.35 1uf2 s GLN 90 Ca 0.62 -0.27 -0.29 0.00 -2.00 0.00 0.00 55.36 53.42 1uf2 s GLN 90 Cb -0.17 -3.99 -0.03 0.00 0.80 0.00 0.00 33.01 29.61 1uf2 s GLN 90 CO 0.56 -1.23 1.50 0.08 -0.50 0.00 0.00 175.29 175.71 1uf2 s VAL 91 N 3.36 3.86 0.09 1.34 1.01 -1.26 -0.45 120.40 128.34 1uf2 s VAL 91 Ca 0.28 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.38 1uf2 s VAL 91 Cb -0.13 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1uf2 s VAL 91 CO 0.20 -0.18 -0.26 -0.89 0.00 0.00 0.00 175.10 173.98 1uf2 s THR 92 N 4.22 2.28 -0.17 3.92 2.01 0.13 -4.67 115.64 123.34 1uf2 s THR 92 Ca 0.66 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1uf2 s THR 92 Cb -0.26 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.30 1uf2 s THR 92 CO 0.24 0.22 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.87 1uf2 s PHE 93 N -0.95 2.79 -0.31 4.92 0.40 0.11 -1.22 117.98 123.72 1uf2 s PHE 93 Ca 0.13 -1.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.03 1uf2 s PHE 93 Cb -0.10 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1uf2 s PHE 93 CO 0.05 -0.66 0.12 0.42 0.70 0.00 0.00 175.22 175.85 1uf2 s ILE 94 N 1.14 4.33 -0.27 0.64 -1.09 0.78 -0.53 121.20 126.20 1uf2 s ILE 94 Ca 0.01 -0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 57.78 1uf2 s ILE 94 Cb -0.14 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1uf2 s ILE 94 CO -0.07 0.06 0.15 -0.69 -1.23 0.00 0.00 174.94 173.17 1uf2 s VAL 95 N 1.56 4.98 0.26 2.92 1.01 0.85 -1.06 120.40 130.93 1uf2 s VAL 95 Ca 0.04 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1uf2 s VAL 95 Cb -0.17 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1uf2 s VAL 95 CO 0.05 0.26 -0.08 -0.94 0.00 0.00 0.00 175.10 174.39 1uf2 s SER 96 N 1.71 2.71 0.65 3.32 1.04 -0.75 -1.01 113.70 121.37 1uf2 s SER 96 Ca 0.07 -1.16 -0.13 0.00 0.48 0.00 0.00 55.95 55.21 1uf2 s SER 96 Cb -0.16 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 1uf2 s SER 96 CO 0.09 -0.31 1.05 -0.31 0.98 0.00 0.00 173.24 174.74 1uf2 s TYR 97 N -3.01 3.09 0.68 5.02 1.51 -1.26 -0.39 117.35 122.99 1uf2 s TYR 97 Ca 0.28 1.45 -0.12 0.00 -1.01 0.00 0.00 57.07 57.68 1uf2 s TYR 97 Cb 0.03 -2.92 0.16 0.00 -0.11 0.00 0.00 41.96 39.12 1uf2 s TYR 97 CO 0.11 -1.14 0.75 0.00 -1.11 0.00 0.00 175.55 174.16 1uf2 n ALA 98 N -2.65 -1.53 -0.02 3.71 0.00 -0.53 -4.56 120.51 114.93 1uf2 n ALA 98 Ca 0.08 -1.04 0.01 0.00 0.00 0.00 0.00 53.44 52.49 1uf2 n ALA 98 Cb 0.53 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.15 1.10 -0.76 0.00 5.02 -1.26 -4.66 118.16 114.45 1uf2 n LYS 99 Ca 0.10 -0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.40 1uf2 n LYS 99 Cb 0.36 -1.25 0.37 0.00 -0.02 0.00 0.00 35.03 34.49 1uf2 n LYS 99 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1uf2 n ASP 100 N -2.05 5.22 -4.07 4.39 5.68 -1.26 -5.00 116.55 119.45 1uf2 n ASP 100 Ca -0.07 -2.88 -0.34 0.00 -0.50 0.00 0.00 54.79 51.00 1uf2 n ASP 100 Cb 0.48 -0.64 -0.15 0.00 -1.14 0.00 0.00 41.12 39.67 1uf2 n ASP 100 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1uf2 n ILE 101 N 0.45 0.00 -2.75 2.12 5.41 -1.26 -3.31 119.36 120.02 1uf2 n ILE 101 Ca 0.26 -0.09 -0.25 0.00 1.00 0.00 0.00 62.75 63.67 1uf2 n ILE 101 Cb 1.09 -0.36 0.02 0.00 -0.71 0.00 0.00 39.64 39.68 1uf2 n ILE 101 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1uf2 n TYR 102 N 8.58 -1.73 -0.03 1.39 0.53 -1.26 -4.75 117.16 119.89 1uf2 n TYR 102 Ca 0.60 0.73 -0.16 0.00 -1.02 0.00 0.00 57.90 58.05 1uf2 n TYR 102 Cb 0.05 -1.22 -0.09 0.00 -1.03 0.00 0.00 39.34 37.05 1uf2 n TYR 102 CO 0.00 0.00 0.00 0.22 -1.02 0.00 0.00 176.86 176.06 1uf2 h ASP 103 N 1.25 0.61 -0.28 7.72 3.58 -1.97 -2.76 116.42 124.57 1uf2 h ASP 103 Ca -0.39 -0.65 0.08 0.00 0.42 0.00 0.00 57.03 56.49 1uf2 h ASP 103 Cb 0.94 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1uf2 h ASP 103 CO 0.16 1.16 0.72 0.11 -2.88 0.00 0.00 179.24 178.51 1uf2 h LYS 104 N 0.10 0.00 0.00 0.28 1.57 -1.92 -0.36 116.57 116.24 1uf2 h LYS 104 Ca -0.04 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.46 1uf2 h LYS 104 Cb 1.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1uf2 h LYS 104 CO 0.10 0.00 -2.11 0.34 -0.57 0.00 0.00 179.45 177.21 1uf2 n PHE 105 N -3.01 0.00 -0.03 -1.35 7.35 -1.20 -4.72 117.46 114.50 1uf2 n PHE 105 Ca 0.05 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.70 1uf2 n PHE 105 Cb 0.83 -0.79 -0.04 0.00 0.35 0.00 0.00 39.48 39.83 1uf2 n PHE 105 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1uf2 h MET 106 N 0.00 -0.05 -5.78 -4.13 2.86 -0.78 -3.48 114.93 103.56 1uf2 h MET 106 Ca -0.43 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 56.97 1uf2 h MET 106 Cb 1.96 0.01 0.08 0.00 0.06 0.00 0.00 31.60 33.71 1uf2 h MET 106 CO 0.02 0.22 -0.62 0.00 1.06 0.00 0.00 176.91 177.60 1uf2 h ILE 108 N -0.68 0.84 -0.83 0.00 -0.00 -1.94 -1.36 117.51 113.53 1uf2 h ILE 108 Ca -0.42 -0.13 0.23 0.00 -0.00 0.00 0.00 64.86 64.54 1uf2 h ILE 108 Cb 1.23 0.43 -0.04 0.00 -0.00 0.00 0.00 36.82 38.44 1uf2 h ILE 108 CO 0.39 0.07 0.59 -0.33 -0.00 0.00 0.00 178.15 178.87 1uf2 h GLU 109 N 0.37 0.07 -6.38 0.16 3.07 -2.00 -3.41 114.58 106.47 1uf2 h GLU 109 Ca 0.31 -0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.49 1uf2 h GLU 109 Cb 0.72 -0.02 -0.20 0.00 -0.84 0.00 0.00 28.75 28.41 1uf2 h GLU 109 CO -0.09 0.05 -0.74 -1.01 -1.40 0.00 0.00 179.01 175.82 1uf2 s HIS 110 N -5.07 2.76 -0.39 4.33 3.76 -0.51 -4.68 115.29 115.49 1uf2 s HIS 110 Ca -0.06 -0.12 -0.16 0.00 -0.15 0.00 0.00 55.06 54.57 1uf2 s HIS 110 Cb 0.21 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 32.34 1uf2 s HIS 110 CO 0.77 0.31 0.38 0.34 -0.85 0.00 0.00 174.74 175.68 1uf2 s ASP 111 N -1.31 6.16 0.00 1.40 -1.08 -1.26 -4.92 116.67 115.66 1uf2 s ASP 111 Ca 0.15 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 1uf2 s ASP 111 Cb -0.11 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1uf2 s ASP 111 CO 0.06 -0.47 0.81 -1.54 0.52 0.00 0.00 175.17 174.54 1uf2 n SER 112 N 5.42 0.00 -0.09 -0.34 3.41 -1.26 -0.88 113.62 119.88 1uf2 n SER 112 Ca -0.09 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1uf2 n SER 112 Cb 0.48 -0.32 0.27 0.00 -0.26 0.00 0.00 64.21 64.38 1uf2 n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uf2 n ALA 113 N -1.31 3.46 -0.08 7.33 0.00 -1.26 -3.88 120.51 124.77 1uf2 n ALA 113 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1uf2 n ALA 113 Cb 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1uf2 n ALA 113 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1uf2 n TYR 114 N -1.19 0.00 -3.58 0.00 4.02 -0.05 -4.84 117.16 111.52 1uf2 n TYR 114 Ca 0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.69 1uf2 n TYR 114 Cb 0.34 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.56 1uf2 n TYR 114 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1uf2 n GLU 115 N -0.36 0.93 0.16 -0.72 1.02 -1.05 -4.93 120.64 115.69 1uf2 n GLU 115 Ca 0.00 -3.73 0.17 0.00 -0.02 0.00 0.00 57.16 53.58 1uf2 n GLU 115 Cb 0.02 -1.90 0.77 0.00 -0.02 0.00 0.00 31.44 30.31 1uf2 n GLU 115 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1uf2 h PRO 116 N 5.40 0.00 -1.00 3.49 0.13 -1.89 -0.37 132.00 137.76 1uf2 h PRO 116 Ca 0.21 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.55 1uf2 h PRO 116 Cb 0.84 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.86 1uf2 h PRO 116 CO 0.52 0.00 0.61 0.66 -0.23 0.00 0.00 178.00 179.57 1uf2 h SER 117 N 0.00 0.73 0.00 1.44 4.64 -1.91 -2.40 113.55 116.06 1uf2 h SER 117 Ca 0.12 0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.58 1uf2 h SER 117 Cb 0.61 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.62 1uf2 h SER 117 CO -0.00 0.23 -0.38 0.25 -0.87 0.00 0.00 176.83 176.06 1uf2 h LEU 118 N 0.69 -1.14 -1.15 5.97 5.85 -1.42 -0.57 115.31 123.54 1uf2 h LEU 118 Ca 0.59 0.14 0.19 0.00 0.84 0.00 0.00 57.88 59.65 1uf2 h LEU 118 Cb 1.01 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 42.39 1uf2 h LEU 118 CO -0.39 -0.43 0.61 0.71 -0.34 0.00 0.00 178.44 178.61 1uf2 h THR 119 N -0.54 0.70 -0.16 1.05 1.35 -1.59 0.60 112.91 114.32 1uf2 h THR 119 Ca 0.05 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1uf2 h THR 119 Cb 0.62 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 1uf2 h THR 119 CO -0.29 0.12 0.10 -0.03 -0.25 0.00 0.00 175.52 175.17 1uf2 h MET 120 N 0.67 0.22 -0.85 4.72 1.85 -1.17 -1.37 114.93 118.99 1uf2 h MET 120 Ca 0.55 -0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.68 1uf2 h MET 120 Cb 0.98 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.91 1uf2 h MET 120 CO -0.32 0.19 0.56 1.25 -0.40 0.00 0.00 176.91 178.19 1uf2 h HIS 121 N 0.19 0.98 -0.16 1.39 6.17 0.14 -2.34 115.15 121.52 1uf2 h HIS 121 Ca 0.06 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1uf2 h HIS 121 Cb 0.02 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.62 1uf2 h HIS 121 CO -0.05 0.53 0.08 0.00 0.71 0.00 0.00 177.93 179.20 1uf2 h ARG 122 N 0.98 0.23 -0.94 5.26 3.08 0.33 -0.03 114.38 123.29 1uf2 h ARG 122 Ca 0.36 -0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.57 1uf2 h ARG 122 Cb 0.16 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.05 1uf2 h ARG 122 CO -0.12 0.27 0.51 0.28 -1.07 0.00 0.00 179.97 179.84 1uf2 h VAL 123 N 0.14 0.62 0.47 2.04 2.07 -0.75 0.33 116.25 121.17 1uf2 h VAL 123 Ca 0.06 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1uf2 h VAL 123 Cb 0.11 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1uf2 h VAL 123 CO -0.01 0.11 -0.22 -0.09 0.02 0.00 0.00 177.57 177.38 1uf2 h ARG 124 N 0.60 -0.60 0.01 1.57 1.12 -1.03 -3.07 114.38 112.98 1uf2 h ARG 124 Ca 0.56 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.50 1uf2 h ARG 124 Cb 0.95 0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 31.01 1uf2 h ARG 124 CO -0.43 -0.39 -0.25 0.28 -3.11 0.00 0.00 179.97 176.07 1uf2 h VAL 125 N -0.65 0.43 -0.71 0.20 2.07 0.11 -2.74 116.25 114.96 1uf2 h VAL 125 Ca -0.06 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1uf2 h VAL 125 Cb 0.49 0.43 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 1uf2 h VAL 125 CO 0.11 0.00 -0.28 -0.38 0.02 0.00 0.00 177.57 177.03 1uf2 n ILE 126 N -5.37 -0.38 -0.27 4.57 2.08 0.90 0.67 119.36 121.57 1uf2 n ILE 126 Ca -0.05 1.66 -0.03 0.00 0.56 0.00 0.00 62.75 64.89 1uf2 n ILE 126 Cb 0.28 -2.19 0.08 0.00 -0.75 0.00 0.00 39.64 37.07 1uf2 n ILE 126 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1uf2 h TYR 127 N 0.00 0.90 0.00 1.39 -1.99 -1.45 0.21 116.97 116.03 1uf2 h TYR 127 Ca 0.24 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.99 1uf2 h TYR 127 Cb 0.42 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1uf2 h TYR 127 CO -0.63 0.53 0.00 0.66 -0.00 0.00 0.00 178.16 178.73 1uf2 h SER 128 N 0.95 0.00 1.43 3.88 4.64 0.30 -1.91 113.55 122.84 1uf2 h SER 128 Ca 0.29 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.55 1uf2 h SER 128 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1uf2 h SER 128 CO -0.09 0.00 -0.29 0.24 -0.87 0.00 0.00 176.83 175.81 1uf2 h MET 129 N 0.00 0.00 -0.91 4.77 2.86 0.91 -2.44 114.93 120.13 1uf2 h MET 129 Ca 0.00 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1uf2 h MET 129 Cb 0.40 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 1uf2 h MET 129 CO 0.00 0.29 0.58 -0.07 1.06 0.00 0.00 176.91 178.77 1uf2 h LEU 130 N 0.00 0.92 0.01 1.22 3.38 -0.95 -0.65 115.31 119.24 1uf2 h LEU 130 Ca -0.00 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 1uf2 h LEU 130 Cb 1.09 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.67 1uf2 h LEU 130 CO 0.04 0.60 -1.05 0.78 0.09 0.00 0.00 178.44 178.90 1uf2 h ASN 131 N 1.07 0.90 1.12 -0.43 2.35 -1.60 0.17 115.58 119.16 1uf2 h ASN 131 Ca 0.39 -0.75 -0.14 0.00 -0.55 0.00 0.00 56.30 55.25 1uf2 h ASN 131 Cb 0.13 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1uf2 h ASN 131 CO -0.16 1.53 -0.64 0.44 -1.65 0.00 0.00 177.43 176.95 1uf2 h ASP 132 N 0.37 0.00 0.00 5.81 3.45 -1.24 -3.39 116.42 121.42 1uf2 h ASP 132 Ca -0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1uf2 h ASP 132 Cb 1.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 1uf2 h ASP 132 CO 0.21 0.64 -0.04 -1.22 -1.57 0.00 0.00 179.24 177.26 1uf2 n TYR 133 N -3.38 -0.69 0.04 4.55 4.02 -0.27 -4.77 117.16 116.66 1uf2 n TYR 133 Ca 0.01 0.12 0.16 0.00 -0.01 0.00 0.00 57.90 58.18 1uf2 n TYR 133 Cb 0.74 0.16 0.64 0.00 -0.02 0.00 0.00 39.34 40.87 1uf2 n TYR 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uf2 n ALA 135 N -2.60 3.03 -2.59 0.00 0.00 0.57 -2.27 120.51 116.66 1uf2 n ALA 135 Ca 0.07 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1uf2 n ALA 135 Cb 0.46 -1.22 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.67 3.03 -0.18 0.00 1.02 -0.60 -0.41 119.74 119.93 1uf2 s LYS 136 Ca 0.21 -0.99 -0.19 0.00 0.02 0.00 0.00 55.97 55.03 1uf2 s LYS 136 Cb 0.19 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 1uf2 s LYS 136 CO 0.55 -0.90 0.53 1.41 -0.92 0.00 0.00 175.35 176.03 1uf2 s MET 137 N 1.93 4.23 -0.01 1.68 -2.45 -0.37 -4.70 119.30 119.61 1uf2 s MET 137 Ca 0.08 0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 54.69 1uf2 s MET 137 Cb -0.19 -3.54 -0.05 0.00 1.25 0.00 0.00 34.83 32.29 1uf2 s MET 137 CO 0.11 -0.10 1.46 0.42 1.05 0.00 0.00 175.02 177.96 1uf2 s ILE 138 N 1.47 3.65 0.00 10.11 1.01 -1.26 -1.18 121.20 135.00 1uf2 s ILE 138 Ca 0.26 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1uf2 s ILE 138 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1uf2 s ILE 138 CO 0.10 -0.02 0.00 -1.54 0.00 0.00 0.00 174.94 173.48 1uf2 n SER 139 N 5.80 0.52 -3.73 3.58 3.41 -0.88 -4.91 113.62 117.40 1uf2 n SER 139 Ca 0.14 -0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 58.23 1uf2 n SER 139 Cb 0.43 0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.65 0.71 -0.20 4.33 2.12 -1.24 -4.98 118.70 118.77 1uf2 s GLU 140 Ca 0.00 -0.94 -0.06 0.00 0.36 0.00 0.00 54.97 54.33 1uf2 s GLU 140 Cb 0.00 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1uf2 s GLU 140 CO 0.00 -0.93 0.03 0.08 -0.54 0.00 0.00 175.26 173.90 1uf2 s VAL 141 N 1.67 4.24 0.20 3.70 1.01 -1.26 -3.26 120.40 126.70 1uf2 s VAL 141 Ca 0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1uf2 s VAL 141 Cb -0.17 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 1uf2 s VAL 141 CO -0.23 0.42 0.93 -2.16 0.00 0.00 0.00 175.10 174.07 1uf2 s PRO 142 N 0.89 4.80 0.09 2.72 0.04 -1.26 -5.03 135.00 137.26 1uf2 s PRO 142 Ca 0.02 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1uf2 s PRO 142 Cb -0.14 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1uf2 s PRO 142 CO 0.02 0.45 0.14 1.52 0.04 0.00 0.00 177.00 179.17 1uf2 s TYR 143 N -0.89 0.31 0.11 0.56 -0.85 -1.26 -1.32 117.35 114.01 1uf2 s TYR 143 Ca 0.42 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 1uf2 s TYR 143 Cb -0.25 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 1uf2 s TYR 143 CO 0.31 -0.53 -0.01 -1.83 -1.52 0.00 0.00 175.55 171.98 1uf2 s GLU 144 N -3.90 0.88 -0.19 -3.49 -1.05 -0.72 -4.85 118.70 105.38 1uf2 s GLU 144 Ca 0.08 -1.39 -0.22 0.00 -0.15 0.00 0.00 54.97 53.29 1uf2 s GLU 144 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 1uf2 s GLU 144 CO -0.09 -0.14 0.71 -1.12 0.95 0.00 0.00 175.26 175.57 1uf2 s SER 145 N -3.05 6.78 0.25 0.83 0.01 -1.26 -1.65 113.70 115.61 1uf2 s SER 145 Ca 0.17 0.95 -0.11 0.00 1.31 0.00 0.00 55.95 58.27 1uf2 s SER 145 Cb 0.07 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1uf2 s SER 145 CO -0.02 -0.33 0.44 -0.94 0.41 0.00 0.00 173.24 172.81 1uf2 s SER 146 N 1.20 -0.02 0.28 2.44 1.04 -0.17 -4.98 113.70 113.48 1uf2 s SER 146 Ca 0.32 -1.01 0.11 0.00 0.48 0.00 0.00 55.95 55.86 1uf2 s SER 146 Cb -0.16 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1uf2 s SER 146 CO 0.11 -1.12 -0.13 -0.36 0.98 0.00 0.00 173.24 172.72 1uf2 s PHE 147 N -3.98 2.42 -0.42 5.02 0.40 -1.26 0.60 117.98 120.77 1uf2 s PHE 147 Ca 0.25 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1uf2 s PHE 147 Cb 0.00 -1.07 0.14 0.00 0.51 0.00 0.00 43.02 42.60 1uf2 s PHE 147 CO 0.10 0.68 0.24 0.08 0.70 0.00 0.00 175.22 177.02 1uf2 s VAL 148 N -2.45 1.03 0.00 -0.44 1.01 0.38 -4.87 120.40 115.05 1uf2 s VAL 148 Ca 0.31 -2.37 0.00 0.00 0.00 0.00 0.00 61.98 59.91 1uf2 s VAL 148 Cb -0.05 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1uf2 s VAL 148 CO 0.17 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.93 1uf2 n GLY 149 N 3.60 0.52 0.11 4.51 0.00 -1.26 -3.29 105.19 109.38 1uf2 n GLY 149 Ca 0.11 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 45.14 1uf2 n GLY 149 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uf2 h GLU 150 N 0.00 0.00 -6.20 1.61 4.81 -2.03 -3.45 114.58 109.32 1uf2 h GLU 150 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1uf2 h GLU 150 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1uf2 h GLU 150 CO 0.00 0.34 0.88 -1.17 -0.73 0.00 0.00 179.01 178.33 1uf2 s LEU 151 N -6.00 4.22 0.19 1.64 2.96 -1.21 -5.02 118.68 115.46 1uf2 s LEU 151 Ca -0.00 1.79 -0.27 0.00 -0.22 0.00 0.00 54.13 55.43 1uf2 s LEU 151 Cb 0.08 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.15 1uf2 s LEU 151 CO 0.78 -0.75 0.83 -2.16 -1.32 0.00 0.00 176.35 173.73 1uf2 s PRO 152 N 3.27 4.66 0.07 0.98 0.04 -1.26 -0.47 135.00 142.29 1uf2 s PRO 152 Ca 0.57 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1uf2 s PRO 152 Cb -0.24 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1uf2 s PRO 152 CO 0.18 0.55 0.02 0.14 0.04 0.00 0.00 177.00 177.93 1uf2 s VAL 153 N -1.15 0.18 -0.32 -0.36 -7.23 0.20 -4.91 120.40 106.82 1uf2 s VAL 153 Ca 0.37 -1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1uf2 s VAL 153 Cb -0.24 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.08 1uf2 s VAL 153 CO 0.28 -0.83 0.13 -0.54 -0.31 0.00 0.00 175.10 173.83 1uf2 s LYS 154 N -3.94 3.08 0.08 4.82 -0.14 -1.26 -1.00 119.74 121.38 1uf2 s LYS 154 Ca 0.11 -0.88 0.05 0.00 -1.36 0.00 0.00 55.97 53.89 1uf2 s LYS 154 Cb 0.07 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 1uf2 s LYS 154 CO -0.07 -0.50 -0.03 -1.54 -0.76 0.00 0.00 175.35 172.45 1uf2 s SER 155 N 1.54 4.85 0.28 2.83 1.04 -0.66 -0.77 113.70 122.81 1uf2 s SER 155 Ca 0.03 -0.22 -0.30 0.00 0.48 0.00 0.00 55.95 55.94 1uf2 s SER 155 Cb -0.18 -1.11 -0.10 0.00 0.10 0.00 0.00 66.02 64.73 1uf2 s SER 155 CO 0.04 0.19 1.39 -0.69 0.98 0.00 0.00 173.24 175.15 1uf2 s VAL 156 N -1.26 2.70 -1.11 5.02 1.01 0.10 -1.75 120.40 125.10 1uf2 s VAL 156 Ca 0.24 0.62 -0.19 0.00 0.00 0.00 0.00 61.98 62.65 1uf2 s VAL 156 Cb -0.11 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 32.96 1uf2 s VAL 156 CO 0.16 0.12 1.47 -0.89 0.00 0.00 0.00 175.10 175.96 1uf2 s THR 157 N -0.40 4.32 0.44 3.92 2.01 -0.44 -4.81 115.64 120.69 1uf2 s THR 157 Ca 0.56 -1.56 0.17 0.00 0.31 0.00 0.00 61.69 61.16 1uf2 s THR 157 Cb -0.41 -5.02 0.35 0.00 0.01 0.00 0.00 72.50 67.43 1uf2 s THR 157 CO 0.47 -1.83 1.95 -0.07 -0.69 0.00 0.00 174.62 174.44 1uf2 h LEU 158 N 11.77 0.32 -1.94 4.42 3.38 -1.90 -2.21 115.31 129.16 1uf2 h LEU 158 Ca 0.28 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.66 1uf2 h LEU 158 Cb 0.95 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1uf2 h LEU 158 CO 1.35 0.18 0.96 -1.13 0.09 0.00 0.00 178.44 179.88 1uf2 h ASN 159 N 0.35 0.04 -0.58 -0.43 -1.24 -1.92 -0.12 115.58 111.66 1uf2 h ASN 159 Ca 0.33 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.26 1uf2 h ASN 159 Cb 0.79 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.79 1uf2 h ASN 159 CO -0.09 -0.00 0.10 0.29 -1.29 0.00 0.00 177.43 176.44 1uf2 n LYS 160 N -4.18 4.05 -0.83 6.67 5.02 -0.83 -4.47 118.16 123.59 1uf2 n LYS 160 Ca 0.30 -3.10 -0.06 0.00 -2.02 0.00 0.00 58.31 53.44 1uf2 n LYS 160 Cb 1.39 -2.17 0.21 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.08 4.64 0.00 -0.35 4.77 -0.06 -4.93 117.00 121.16 1uf2 n LEU 161 Ca 0.32 -3.60 0.00 0.00 -0.03 0.00 0.00 56.01 52.70 1uf2 n LEU 161 Cb 1.22 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1uf2 n LEU 161 CO 0.34 1.11 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 1uf2 n GLY 162 N -0.98 3.64 0.67 -0.72 0.00 -1.26 -1.49 105.19 105.04 1uf2 n GLY 162 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1uf2 n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uf2 n ASP 163 N 5.51 1.57 -0.16 1.61 5.75 -1.26 -2.62 116.55 126.96 1uf2 n ASP 163 Ca 0.00 -2.09 0.08 0.00 -0.01 0.00 0.00 54.79 52.77 1uf2 n ASP 163 Cb 0.00 -0.52 0.11 0.00 -1.03 0.00 0.00 41.12 39.68 1uf2 n ASP 163 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1uf2 n ARG 164 N 0.08 1.02 -1.78 0.11 5.12 -0.56 -4.90 116.66 115.75 1uf2 n ARG 164 Ca 0.03 -2.26 -0.41 0.00 -1.93 0.00 0.00 57.85 53.27 1uf2 n ARG 164 Cb 0.36 -1.30 -0.02 0.00 -1.16 0.00 0.00 32.46 30.34 1uf2 n ARG 164 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1uf2 n ASN 165 N -1.15 3.64 -0.50 0.55 2.85 -1.08 -4.79 115.26 114.79 1uf2 n ASN 165 Ca 0.13 -2.80 0.42 0.00 -0.11 0.00 0.00 54.58 52.22 1uf2 n ASN 165 Cb 0.65 -1.54 0.75 0.00 1.24 0.00 0.00 39.78 40.88 1uf2 n ASN 165 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1uf2 h MET 166 N 7.20 0.04 -0.18 1.20 2.86 -1.90 0.23 114.93 124.38 1uf2 h MET 166 Ca 0.47 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.10 1uf2 h MET 166 Cb 0.72 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1uf2 h MET 166 CO 1.75 0.02 0.07 -0.44 1.06 0.00 0.00 176.91 179.38 1uf2 h ASP 167 N 0.04 0.25 -0.40 1.22 3.32 -1.90 -2.15 116.42 116.80 1uf2 h ASP 167 Ca 0.76 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.49 1uf2 h ASP 167 Cb 2.88 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 42.35 1uf2 h ASP 167 CO -0.09 0.34 -0.34 0.00 -1.72 0.00 0.00 179.24 177.44 1uf2 h ALA 168 N 0.91 0.62 -0.39 3.45 0.00 -0.98 -2.50 119.26 120.38 1uf2 h ALA 168 Ca 0.06 -0.44 0.11 0.00 0.00 0.00 0.00 54.91 54.65 1uf2 h ALA 168 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1uf2 h ALA 168 CO -0.00 0.68 0.30 -0.07 0.00 0.00 0.00 179.25 180.15 1uf2 h LEU 169 N 0.79 0.00 0.00 0.00 3.38 -1.15 0.07 115.31 118.40 1uf2 h LEU 169 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1uf2 h LEU 169 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1uf2 h LEU 169 CO 0.09 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.19 1uf2 h ALA 170 N 1.77 0.76 0.00 1.53 0.00 -0.93 -3.15 119.26 119.24 1uf2 h ALA 170 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uf2 h ALA 170 Cb 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1uf2 h ALA 170 CO -0.00 0.45 0.00 0.39 0.00 0.00 0.00 179.25 180.09 1uf2 n GLU 171 N -3.15 0.15 0.16 0.00 1.02 0.01 -1.34 120.64 117.48 1uf2 n GLU 171 Ca 0.02 0.06 0.06 0.00 -0.02 0.00 0.00 57.16 57.28 1uf2 n GLU 171 Cb 0.68 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.66 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 -2.36 -0.32 3.86 -1.65 -3.46 115.15 111.22 1uf2 h HIS 172 Ca 0.00 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.77 1uf2 h HIS 172 Cb 0.01 0.00 0.23 0.00 1.06 0.00 0.00 27.41 28.71 1uf2 h HIS 172 CO 0.00 0.32 -0.96 1.28 0.86 0.00 0.00 177.93 179.43 1uf2 n LEU 173 N -3.13 -2.27 0.08 2.43 4.77 -0.45 -4.97 117.00 113.47 1uf2 n LEU 173 Ca 0.02 -0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 1uf2 n LEU 173 Cb 0.67 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1uf2 n LEU 173 CO 0.39 -3.12 0.16 -0.07 -1.33 0.00 0.00 177.39 173.42 1uf2 h LEU 174 N -2.20 -0.23 -9.69 2.23 3.38 -1.89 -3.47 115.31 103.44 1uf2 h LEU 174 Ca -0.54 0.01 -0.62 0.00 0.09 0.00 0.00 57.88 56.82 1uf2 h LEU 174 Cb 1.34 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1uf2 h LEU 174 CO 0.39 0.05 -0.26 -0.36 0.09 0.00 0.00 178.44 178.35 1uf2 s PHE 175 N -2.44 3.69 0.31 1.13 0.40 -1.26 -4.99 117.98 114.82 1uf2 s PHE 175 Ca -0.04 0.88 0.09 0.00 -0.60 0.00 0.00 56.93 57.25 1uf2 s PHE 175 Cb 0.00 -2.20 0.89 0.00 0.51 0.00 0.00 43.02 42.22 1uf2 s PHE 175 CO 0.12 0.65 1.69 1.49 0.70 0.00 0.00 175.22 179.86 1uf2 h GLU 176 N 4.61 0.39 -0.60 0.44 4.81 -1.99 0.06 114.58 122.30 1uf2 h GLU 176 Ca -0.52 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.62 1uf2 h GLU 176 Cb 1.22 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1uf2 h GLU 176 CO 0.62 0.26 0.09 1.12 -0.73 0.00 0.00 179.01 180.36 1uf2 h HIS 177 N 0.40 1.02 -0.47 0.92 2.07 -1.99 -0.94 115.15 116.16 1uf2 h HIS 177 Ca 0.64 -0.13 -0.02 0.00 -2.85 0.00 0.00 60.37 58.01 1uf2 h HIS 177 Cb 1.31 -0.28 -0.02 0.00 2.57 0.00 0.00 27.41 30.99 1uf2 h HIS 177 CO -0.08 0.87 0.21 -0.44 -3.07 0.00 0.00 177.93 175.42 1uf2 h ASP 178 N 0.91 0.58 0.56 3.10 3.32 -1.40 -0.90 116.42 122.60 1uf2 h ASP 178 Ca 0.18 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1uf2 h ASP 178 Cb 0.41 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1uf2 h ASP 178 CO 0.01 0.51 -0.27 0.58 -1.72 0.00 0.00 179.24 178.35 1uf2 h VAL 179 N 0.65 0.00 -0.82 -1.35 2.07 -1.02 -1.62 116.25 114.17 1uf2 h VAL 179 Ca 0.16 -0.20 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1uf2 h VAL 179 Cb 0.09 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.71 1uf2 h VAL 179 CO -0.02 0.00 -0.23 0.58 0.02 0.00 0.00 177.57 177.92 1uf2 h VAL 180 N -0.95 0.15 -0.25 2.57 2.07 -0.95 0.40 116.25 119.30 1uf2 h VAL 180 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1uf2 h VAL 180 Cb 0.58 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1uf2 h VAL 180 CO 0.13 0.00 -0.04 0.78 0.02 0.00 0.00 177.57 178.46 1uf2 h ASN 181 N -0.02 -0.18 -0.11 0.57 2.35 -1.13 0.18 115.58 117.25 1uf2 h ASN 181 Ca 0.38 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1uf2 h ASN 181 Cb 0.60 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1uf2 h ASN 181 CO -0.85 -0.06 0.07 0.00 -1.65 0.00 0.00 177.43 174.93 1uf2 h ALA 182 N 1.23 0.14 -0.69 -0.83 0.00 0.31 0.97 119.26 120.39 1uf2 h ALA 182 Ca 0.12 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1uf2 h ALA 182 Cb 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1uf2 h ALA 182 CO -0.23 -0.35 0.46 1.96 0.00 0.00 0.00 179.25 181.08 1uf2 h GLN 183 N 0.11 0.58 0.06 0.00 4.20 0.24 0.14 115.11 120.44 1uf2 h GLN 183 Ca 0.04 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1uf2 h GLN 183 Cb 0.03 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1uf2 h GLN 183 CO -0.01 0.38 -1.07 0.07 -0.67 0.00 0.00 178.83 177.54 1uf2 h ARG 184 N 0.59 0.34 0.00 1.46 0.11 -0.17 -2.76 114.38 113.95 1uf2 h ARG 184 Ca 0.31 -0.44 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 1uf2 h ARG 184 Cb 0.44 0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.66 1uf2 h ARG 184 CO -0.10 1.14 -0.12 0.93 0.10 0.00 0.00 179.97 181.92 1uf2 h GLU 185 N 0.15 0.00 -0.49 0.08 5.08 0.97 -0.40 114.58 119.97 1uf2 h GLU 185 Ca -0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1uf2 h GLU 185 Cb 1.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 1uf2 h GLU 185 CO 0.18 0.12 -0.14 -0.91 -1.00 0.00 0.00 179.01 177.25 1uf2 h ASN 186 N 0.00 0.95 0.57 1.42 2.35 -0.53 -1.72 115.58 118.62 1uf2 h ASN 186 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1uf2 h ASN 186 Cb 0.24 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1uf2 h ASN 186 CO 0.02 1.08 0.00 0.54 -1.65 0.00 0.00 177.43 177.42 1uf2 n ARG 187 N -4.14 0.01 -0.08 0.81 1.74 -0.19 -1.18 116.66 113.63 1uf2 n ARG 187 Ca 0.01 0.23 -0.22 0.00 -0.77 0.00 0.00 57.85 57.10 1uf2 n ARG 187 Cb 0.41 -1.51 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 1uf2 n ARG 187 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1uf2 n ILE 188 N -1.53 1.61 0.05 0.55 5.41 -0.73 -4.56 119.36 120.16 1uf2 n ILE 188 Ca 0.04 -0.41 -0.14 0.00 1.00 0.00 0.00 62.75 63.24 1uf2 n ILE 188 Cb 0.19 -1.79 -0.14 0.00 -0.71 0.00 0.00 39.64 37.19 1uf2 n ILE 188 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1uf2 h PHE 189 N -0.43 0.29 -2.76 1.39 0.04 -1.26 -3.38 116.94 110.82 1uf2 h PHE 189 Ca -0.48 -0.21 -0.80 0.00 2.80 0.00 0.00 57.97 59.28 1uf2 h PHE 189 Cb 1.73 -0.01 -0.25 0.00 2.20 0.00 0.00 35.95 39.61 1uf2 h PHE 189 CO 0.05 1.26 0.95 0.66 -0.60 0.00 0.00 178.31 180.62 1uf2 n TYR 190 N -3.36 3.09 -4.26 -0.55 4.02 -0.33 -4.70 117.16 111.06 1uf2 n TYR 190 Ca -0.14 -2.91 -0.14 0.00 -0.01 0.00 0.00 57.90 54.70 1uf2 n TYR 190 Cb 1.03 -1.50 -0.10 0.00 -0.02 0.00 0.00 39.34 38.74 1uf2 n TYR 190 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1uf2 s GLN 191 N -1.78 1.15 -0.24 -0.72 -2.07 -1.26 -0.73 119.66 114.03 1uf2 s GLN 191 Ca 0.33 -1.55 -0.21 0.00 -1.82 0.00 0.00 55.36 52.10 1uf2 s GLN 191 Cb 0.02 -0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 31.53 1uf2 s GLN 191 CO 0.05 -0.10 0.68 0.50 -1.32 0.00 0.00 175.29 175.10 1uf2 s ARG 192 N -3.88 4.16 0.34 9.60 3.52 0.05 -2.97 118.95 129.77 1uf2 s ARG 192 Ca 0.24 0.66 0.06 0.00 -0.13 0.00 0.00 55.73 56.56 1uf2 s ARG 192 Cb 0.06 -3.63 -0.07 0.00 -1.56 0.00 0.00 34.95 29.75 1uf2 s ARG 192 CO 0.04 -0.39 0.01 0.15 -0.81 0.00 0.00 175.30 174.30 1uf2 s LYS 193 N 2.42 1.74 0.47 5.12 1.02 -0.73 -4.48 119.74 125.29 1uf2 s LYS 193 Ca 0.29 -1.95 -0.24 0.00 0.02 0.00 0.00 55.97 54.09 1uf2 s LYS 193 Cb -0.16 -1.23 -0.07 0.00 -0.52 0.00 0.00 37.83 35.85 1uf2 s LYS 193 CO 0.09 -0.07 1.32 -1.54 -0.92 0.00 0.00 175.35 174.22 1uf2 s SER 194 N -3.55 5.89 0.03 2.83 1.04 -1.26 -0.47 113.70 118.21 1uf2 s SER 194 Ca 0.34 2.68 -0.30 0.00 0.48 0.00 0.00 55.95 59.15 1uf2 s SER 194 Cb 0.08 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1uf2 s SER 194 CO 0.16 -1.14 1.00 0.00 0.98 0.00 0.00 173.24 174.24 1uf2 s ALA 195 N -1.31 3.20 0.26 5.32 0.00 -1.23 -4.38 121.76 123.62 1uf2 s ALA 195 Ca 0.63 0.59 0.18 0.00 0.00 0.00 0.00 51.96 53.36 1uf2 s ALA 195 Cb -0.38 -3.34 0.77 0.00 0.00 0.00 0.00 23.12 20.17 1uf2 s ALA 195 CO 0.47 -0.21 1.79 -1.00 0.00 0.00 0.00 175.76 176.81 1uf2 h PRO 196 N 6.53 0.00 -1.47 0.00 0.13 -1.93 -3.44 132.00 131.83 1uf2 h PRO 196 Ca -0.41 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.89 1uf2 h PRO 196 Cb 1.22 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 1uf2 h PRO 196 CO 0.75 0.36 0.72 0.00 -0.23 0.00 0.00 178.00 179.60 1uf2 s ALA 197 N -3.82 -2.01 0.19 -0.56 0.00 -1.26 -5.02 121.76 109.28 1uf2 s ALA 197 Ca -0.01 1.62 -0.32 0.00 0.00 0.00 0.00 51.96 53.25 1uf2 s ALA 197 Cb 0.12 -0.69 -0.12 0.00 0.00 0.00 0.00 23.12 22.43 1uf2 s ALA 197 CO 0.69 -0.39 1.72 0.28 0.00 0.00 0.00 175.76 178.05 1uf2 n VAL 198 N 0.38 0.05 0.10 0.00 0.31 -1.26 -4.90 118.33 113.01 1uf2 n VAL 198 Ca -0.05 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.23 1uf2 n VAL 198 Cb 0.59 -1.93 0.04 0.00 -0.91 0.00 0.00 33.84 31.63 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 6.87 0.02 -5.23 5.55 0.13 -1.97 -3.43 132.00 133.94 1uf2 h PRO 199 Ca -0.44 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 1uf2 h PRO 199 Cb 1.21 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1uf2 h PRO 199 CO 0.94 0.80 -0.32 0.08 -0.23 0.00 0.00 178.00 179.27 1uf2 s VAL 200 N -3.23 5.25 -0.72 1.56 1.01 -1.26 -4.92 120.40 118.09 1uf2 s VAL 200 Ca -0.01 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1uf2 s VAL 200 Cb 0.11 -3.64 0.19 0.00 0.00 0.00 0.00 36.38 33.04 1uf2 s VAL 200 CO 0.79 0.26 0.64 -0.63 0.00 0.00 0.00 175.10 176.16 1uf2 s ILE 201 N 1.43 5.15 -0.08 2.22 -1.09 -1.26 -5.03 121.20 122.54 1uf2 s ILE 201 Ca 0.14 -2.31 -0.25 0.00 -2.23 0.00 0.00 60.65 56.00 1uf2 s ILE 201 Cb -0.15 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 1uf2 s ILE 201 CO 0.07 -0.96 0.79 -0.36 -1.23 0.00 0.00 174.94 173.26 1uf2 s PHE 202 N 0.49 3.56 -1.16 3.97 0.40 -1.26 -4.93 117.98 119.05 1uf2 s PHE 202 Ca 0.14 1.35 0.29 0.00 -0.60 0.00 0.00 56.93 58.11 1uf2 s PHE 202 Cb -0.17 -2.92 1.23 0.00 0.51 0.00 0.00 43.02 41.67 1uf2 s PHE 202 CO -0.05 -0.01 1.90 0.41 0.70 0.00 0.00 175.22 178.17 1uf2 n GLY 203 N 3.14 -1.37 3.70 4.36 0.00 -1.26 -4.92 105.19 108.84 1uf2 n GLY 203 Ca 0.02 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1uf2 n GLY 203 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uf2 s ASP 204 N -2.85 3.47 -0.44 1.61 1.01 -1.26 -4.99 116.67 113.23 1uf2 s ASP 204 Ca 0.19 2.26 -0.13 0.00 0.71 0.00 0.00 52.55 55.57 1uf2 s ASP 204 Cb 0.19 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.61 1uf2 s ASP 204 CO 0.53 -2.74 0.33 -0.62 0.21 0.00 0.00 175.17 172.87 1uf2 s ASP 205 N -2.42 5.96 0.39 0.27 3.68 -1.26 -5.07 116.67 118.22 1uf2 s ASP 205 Ca 0.70 -1.28 0.08 0.00 2.13 0.00 0.00 52.55 54.18 1uf2 s ASP 205 Cb -0.26 -2.11 -0.07 0.00 -1.45 0.00 0.00 42.92 39.04 1uf2 s ASP 205 CO 0.53 -0.56 0.03 -0.76 0.13 0.00 0.00 175.17 174.53 1uf2 s LEU 206 N 1.58 2.92 0.22 -1.34 1.43 -1.26 -5.00 118.68 117.23 1uf2 s LEU 206 Ca 0.04 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.62 1uf2 s LEU 206 Cb -0.23 -1.10 -0.09 0.00 0.03 0.00 0.00 46.19 44.80 1uf2 s LEU 206 CO 0.06 -0.39 1.31 -1.61 0.23 0.00 0.00 176.35 175.95 1uf2 s GLU 207 N -3.73 4.38 0.29 1.70 2.02 -1.26 -4.84 118.70 117.25 1uf2 s GLU 207 Ca 0.36 2.08 0.02 0.00 0.02 0.00 0.00 54.97 57.45 1uf2 s GLU 207 Cb 0.06 -3.17 0.71 0.00 0.10 0.00 0.00 34.13 31.83 1uf2 s GLU 207 CO 0.19 -0.25 1.65 -1.35 0.02 0.00 0.00 175.26 175.52 1uf2 h PRO 208 N 5.10 0.22 -1.05 0.39 0.11 -1.99 -1.24 132.00 133.54 1uf2 h PRO 208 Ca -0.45 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 65.92 1uf2 h PRO 208 Cb 1.22 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1uf2 h PRO 208 CO 0.76 0.14 0.68 0.00 -0.21 0.00 0.00 178.00 179.38 1uf2 h ALA 209 N 1.77 2.34 0.00 -0.75 0.00 -2.04 -2.53 119.26 118.05 1uf2 h ALA 209 Ca 0.55 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1uf2 h ALA 209 Cb 1.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1uf2 h ALA 209 CO -0.64 -0.73 -0.66 1.55 0.00 0.00 0.00 179.25 178.77 1uf2 n VAL 210 N -4.57 0.00 -1.69 0.00 3.14 -0.54 -4.75 118.33 109.93 1uf2 n VAL 210 Ca 0.25 -0.25 -0.45 0.00 -2.96 0.00 0.00 64.34 60.93 1uf2 n VAL 210 Cb 0.91 0.88 -0.04 0.00 -1.06 0.00 0.00 33.84 34.53 1uf2 n VAL 210 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1uf2 n ARG 211 N -1.35 2.40 -1.74 1.45 0.63 -0.77 -4.40 116.66 112.88 1uf2 n ARG 211 Ca 0.01 0.87 -0.42 0.00 -0.92 0.00 0.00 57.85 57.39 1uf2 n ARG 211 Cb 0.18 -2.68 -0.01 0.00 0.45 0.00 0.00 32.46 30.40 1uf2 n ARG 211 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1uf2 n GLU 212 N 4.00 2.55 -4.27 -0.14 -0.58 -1.26 -4.99 120.64 115.95 1uf2 n GLU 212 Ca 0.17 0.90 -0.15 0.00 -0.42 0.00 0.00 57.16 57.67 1uf2 n GLU 212 Cb 0.31 -2.64 -0.10 0.00 -0.57 0.00 0.00 31.44 28.45 1uf2 n GLU 212 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1uf2 s ARG 213 N -0.98 1.14 0.10 3.49 1.70 -1.26 -5.01 118.95 118.14 1uf2 s ARG 213 Ca 0.61 -1.53 -0.28 0.00 -0.47 0.00 0.00 55.73 54.06 1uf2 s ARG 213 Cb -0.52 -0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 33.26 1uf2 s ARG 213 CO 0.53 -0.04 1.46 0.00 -1.08 0.00 0.00 175.30 176.17 1uf2 h ALA 214 N 2.68 -0.76 0.00 7.88 0.00 -1.92 -2.57 119.26 124.56 1uf2 h ALA 214 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1uf2 h ALA 214 Cb 1.20 1.00 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1uf2 h ALA 214 CO 0.64 -0.95 0.00 0.27 0.00 0.00 0.00 179.25 179.20 1uf2 n ASN 215 N -4.93 0.00 0.00 0.00 6.94 -1.26 -0.72 115.26 115.29 1uf2 n ASN 215 Ca -0.04 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.62 1uf2 n ASN 215 Cb 0.30 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.65 1uf2 n ASN 215 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1uf2 n LEU 216 N -0.36 0.80 -4.56 -4.53 4.77 -0.97 -4.94 117.00 107.21 1uf2 n LEU 216 Ca 0.00 -0.34 -0.24 0.00 -0.03 0.00 0.00 56.01 55.39 1uf2 n LEU 216 Cb 0.00 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1uf2 n LEU 216 CO 0.00 0.19 -0.38 -0.31 -1.33 0.00 0.00 177.39 175.56 1uf2 s TYR 217 N -3.07 2.46 0.01 -1.77 1.51 0.10 -0.76 117.35 115.84 1uf2 s TYR 217 Ca 0.06 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1uf2 s TYR 217 Cb 0.16 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1uf2 s TYR 217 CO 0.85 0.61 -0.03 -1.01 -1.11 0.00 0.00 175.55 174.85 1uf2 s HIS 218 N -2.49 0.28 -0.21 2.71 3.76 -0.98 -3.50 115.29 114.86 1uf2 s HIS 218 Ca 0.32 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 54.89 1uf2 s HIS 218 Cb -0.03 -0.18 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 1uf2 s HIS 218 CO 0.17 -0.08 -0.01 -0.98 -0.85 0.00 0.00 174.74 172.99 1uf2 s ARG 219 N -0.82 3.54 -0.05 1.40 1.70 0.38 -1.28 118.95 123.82 1uf2 s ARG 219 Ca -0.07 -0.55 -0.06 0.00 -0.47 0.00 0.00 55.73 54.58 1uf2 s ARG 219 Cb -0.06 -3.07 -0.04 0.00 -0.57 0.00 0.00 34.95 31.21 1uf2 s ARG 219 CO -0.00 -0.07 0.20 0.71 -1.08 0.00 0.00 175.30 175.06 1uf2 s TYR 220 N 1.19 3.59 -0.34 5.89 1.51 -0.23 -1.77 117.35 127.19 1uf2 s TYR 220 Ca 0.03 0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 56.50 1uf2 s TYR 220 Cb -0.15 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1uf2 s TYR 220 CO 0.01 0.68 0.16 -1.12 -1.11 0.00 0.00 175.55 174.16 1uf2 s SER 221 N -1.48 5.55 0.24 2.29 0.01 -1.16 -2.60 113.70 116.54 1uf2 s SER 221 Ca 0.22 -0.81 0.10 0.00 1.31 0.00 0.00 55.95 56.77 1uf2 s SER 221 Cb -0.13 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1uf2 s SER 221 CO 0.12 -0.29 -0.07 0.68 0.41 0.00 0.00 173.24 174.09 1uf2 s VAL 222 N 1.55 3.16 -0.79 3.43 -7.23 -0.59 -4.00 120.40 115.94 1uf2 s VAL 222 Ca 0.03 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1uf2 s VAL 222 Cb -0.18 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 1uf2 s VAL 222 CO 0.06 -0.29 2.40 -0.81 -0.31 0.00 0.00 175.10 176.15 1uf2 n PRO 223 N -0.53 2.17 -4.10 4.82 -0.04 -1.26 -1.41 135.00 134.65 1uf2 n PRO 223 Ca -0.08 -1.37 -0.14 0.00 -0.04 0.00 0.00 63.50 61.87 1uf2 n PRO 223 Cb 0.58 -2.34 -0.13 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.69 0.46 0.44 0.54 1.51 -1.24 -4.81 117.35 116.93 1uf2 s TYR 224 Ca 0.46 -0.20 -0.22 0.00 -1.01 0.00 0.00 57.07 56.11 1uf2 s TYR 224 Cb 0.15 -0.29 -0.09 0.00 -0.11 0.00 0.00 41.96 41.61 1uf2 s TYR 224 CO -0.03 -0.03 1.01 -1.58 -1.11 0.00 0.00 175.55 173.81 1uf2 s HIS 225 N -0.47 3.18 0.22 2.71 2.46 -1.26 -2.34 115.29 119.80 1uf2 s HIS 225 Ca -0.02 1.62 -0.08 0.00 0.47 0.00 0.00 55.06 57.04 1uf2 s HIS 225 Cb -0.04 -3.02 0.36 0.00 -0.13 0.00 0.00 32.58 29.75 1uf2 s HIS 225 CO -0.00 -0.54 1.68 1.96 -2.47 0.00 0.00 174.74 175.37 1uf2 h GLN 226 N 1.99 0.21 -1.00 2.88 1.08 -1.88 0.13 115.11 118.52 1uf2 h GLN 226 Ca -0.49 -0.01 0.35 0.00 -1.45 0.00 0.00 58.65 57.05 1uf2 h GLN 226 Cb 1.21 -0.05 -0.16 0.00 -0.05 0.00 0.00 27.48 28.43 1uf2 h GLN 226 CO 0.61 0.14 0.56 0.82 -0.95 0.00 0.00 178.83 180.00 1uf2 h ILE 227 N 0.21 0.21 -0.26 2.54 1.08 -1.97 0.26 117.51 119.58 1uf2 h ILE 227 Ca 0.36 -0.08 -0.17 0.00 -0.39 0.00 0.00 64.86 64.58 1uf2 h ILE 227 Cb 0.58 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1uf2 h ILE 227 CO -0.49 0.04 -0.52 -0.33 -0.69 0.00 0.00 178.15 176.16 1uf2 h GLU 228 N 0.23 0.77 0.00 2.37 5.08 -1.09 -3.23 114.58 118.71 1uf2 h GLU 228 Ca 0.77 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1uf2 h GLU 228 Cb 1.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1uf2 h GLU 228 CO -0.66 1.10 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.88 1uf2 h LEU 229 N 0.59 0.00 -0.19 1.33 3.38 -0.44 -3.42 115.31 116.56 1uf2 h LEU 229 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1uf2 h LEU 229 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1uf2 h LEU 229 CO 0.11 0.20 -0.11 0.00 0.09 0.00 0.00 178.44 178.73 1uf2 n ALA 230 N -2.18 -0.12 -0.09 1.53 0.00 0.48 -1.94 120.51 118.17 1uf2 n ALA 230 Ca 0.01 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 1uf2 n ALA 230 Cb 0.63 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1uf2 n ALA 230 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uf2 h LEU 231 N 0.00 -0.46 -2.22 0.00 3.38 -1.81 -1.25 115.31 112.95 1uf2 h LEU 231 Ca 0.03 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1uf2 h LEU 231 Cb 0.08 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uf2 h LEU 231 CO -0.18 -0.17 0.14 0.45 0.09 0.00 0.00 178.44 178.77 1uf2 h HIS 232 N -0.07 0.00 0.00 1.13 3.86 -1.61 0.13 115.15 118.59 1uf2 h HIS 232 Ca 0.17 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1uf2 h HIS 232 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1uf2 h HIS 232 CO -0.35 0.00 -0.19 0.00 0.86 0.00 0.00 177.93 178.24 1uf2 h ALA 233 N 1.71 0.99 0.00 2.45 0.00 -1.11 -2.91 119.26 120.38 1uf2 h ALA 233 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1uf2 h ALA 233 Cb 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uf2 h ALA 233 CO 0.00 0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 179.30 1uf2 h LEU 234 N 0.00 0.00 -0.94 0.00 3.38 -1.05 -2.89 115.31 113.81 1uf2 h LEU 234 Ca -0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.17 1uf2 h LEU 234 Cb 0.78 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 1uf2 h LEU 234 CO 0.03 0.12 0.51 0.00 0.09 0.00 0.00 178.44 179.18 1uf2 h ALA 235 N 1.88 1.56 -0.92 1.53 0.00 -1.24 0.38 119.26 122.46 1uf2 h ALA 235 Ca -0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1uf2 h ALA 235 Cb 0.48 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1uf2 h ALA 235 CO 0.02 -0.20 0.60 -0.91 0.00 0.00 0.00 179.25 178.75 1uf2 h ASN 236 N 0.59 0.95 -0.47 0.00 2.35 -1.74 0.91 115.58 118.17 1uf2 h ASN 236 Ca 0.57 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.20 1uf2 h ASN 236 Cb 0.99 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1uf2 h ASN 236 CO -0.45 0.63 -0.16 0.44 -1.65 0.00 0.00 177.43 176.24 1uf2 h ASP 237 N 1.09 0.96 -0.30 5.81 3.32 -0.48 -2.24 116.42 124.57 1uf2 h ASP 237 Ca 0.38 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1uf2 h ASP 237 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1uf2 h ASP 237 CO -0.13 1.12 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.30 1uf2 h LEU 238 N 0.79 0.65 -2.01 1.55 3.38 0.14 -2.74 115.31 117.07 1uf2 h LEU 238 Ca 0.11 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1uf2 h LEU 238 Cb 0.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1uf2 h LEU 238 CO 0.06 0.91 0.12 0.25 0.09 0.00 0.00 178.44 179.86 1uf2 h LEU 239 N 0.39 0.00 0.00 1.67 5.85 0.86 -2.94 115.31 121.14 1uf2 h LEU 239 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1uf2 h LEU 239 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1uf2 h LEU 239 CO 0.04 0.00 0.00 -0.24 -0.34 0.00 0.00 178.44 177.90 1uf2 n SER 240 N -4.47 0.00 0.00 1.25 2.88 -0.85 -2.84 113.62 109.60 1uf2 n SER 240 Ca 0.01 0.69 0.01 0.00 -1.33 0.00 0.00 58.87 58.25 1uf2 n SER 240 Cb 0.25 -0.44 0.05 0.00 -0.75 0.00 0.00 64.21 63.32 1uf2 n SER 240 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1uf2 n ILE 241 N -1.81 1.85 -0.08 2.46 -6.64 -1.15 -3.19 119.36 110.81 1uf2 n ILE 241 Ca 0.00 0.46 -0.22 0.00 -1.77 0.00 0.00 62.75 61.23 1uf2 n ILE 241 Cb 0.00 -1.43 -0.12 0.00 -1.44 0.00 0.00 39.64 36.65 1uf2 n ILE 241 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1uf2 n GLN 242 N -1.50 0.67 -4.32 6.28 6.02 -1.11 -4.78 117.38 118.63 1uf2 n GLN 242 Ca 0.01 0.26 -0.24 0.00 -0.01 0.00 0.00 57.00 57.02 1uf2 n GLN 242 Cb 0.03 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.60 1uf2 n GLN 242 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1uf2 s TYR 243 N -2.51 2.62 0.32 1.08 1.51 -1.13 -0.84 117.35 118.39 1uf2 s TYR 243 Ca -0.31 -0.24 -0.06 0.00 -1.01 0.00 0.00 57.07 55.46 1uf2 s TYR 243 Cb 0.09 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1uf2 s TYR 243 CO 0.64 0.61 0.52 0.00 -1.11 0.00 0.00 175.55 176.21 1uf2 s HIS 245 N -3.19 3.63 0.21 0.00 2.46 -1.26 0.11 115.29 117.25 1uf2 s HIS 245 Ca 0.21 1.44 0.10 0.00 0.47 0.00 0.00 55.06 57.29 1uf2 s HIS 245 Cb -0.02 -2.92 0.72 0.00 -0.13 0.00 0.00 32.58 30.24 1uf2 s HIS 245 CO 0.15 0.08 0.90 -2.30 -2.47 0.00 0.00 174.74 171.11 1uf2 n PRO 246 N 3.66 -0.04 -0.13 2.88 -0.02 -1.26 0.11 135.00 140.21 1uf2 n PRO 246 Ca 0.01 0.80 -0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1uf2 n PRO 246 Cb 0.51 -1.41 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 1uf2 n PRO 246 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1uf2 h THR 247 N 0.00 0.04 -0.43 3.45 2.02 -1.90 0.24 112.91 116.33 1uf2 h THR 247 Ca 0.47 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.74 1uf2 h THR 247 Cb 1.20 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 1uf2 h THR 247 CO -0.45 0.00 -0.23 0.58 0.37 0.00 0.00 175.52 175.79 1uf2 h VAL 248 N -0.38 0.36 -0.77 3.16 2.07 0.43 0.22 116.25 121.35 1uf2 h VAL 248 Ca 0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.74 1uf2 h VAL 248 Cb 0.60 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1uf2 h VAL 248 CO -0.58 0.00 0.37 0.58 0.02 0.00 0.00 177.57 177.96 1uf2 h VAL 249 N -0.14 0.78 0.75 2.57 2.07 -1.32 0.16 116.25 121.12 1uf2 h VAL 249 Ca 0.21 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1uf2 h VAL 249 Cb 0.46 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1uf2 h VAL 249 CO -0.52 0.11 -0.45 0.22 0.02 0.00 0.00 177.57 176.95 1uf2 h TYR 250 N 0.59 -1.18 -0.56 1.57 3.20 0.14 -1.41 116.97 119.31 1uf2 h TYR 250 Ca 0.40 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.36 1uf2 h TYR 250 Cb 0.50 0.42 -0.11 0.00 1.54 0.00 0.00 36.73 39.07 1uf2 h TYR 250 CO -0.11 -0.68 -0.27 -0.91 -1.64 0.00 0.00 178.16 174.55 1uf2 h ASN 251 N -1.12 -0.94 -0.01 -2.11 2.35 -0.10 0.20 115.58 113.85 1uf2 h ASN 251 Ca -0.10 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1uf2 h ASN 251 Cb 0.89 0.50 -0.01 0.00 0.05 0.00 0.00 38.32 39.75 1uf2 h ASN 251 CO 0.11 -0.28 -0.07 0.22 -1.65 0.00 0.00 177.43 175.76 1uf2 h TYR 252 N -0.13 -0.21 -0.16 1.19 3.20 -0.51 -0.67 116.97 119.69 1uf2 h TYR 252 Ca 0.25 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.17 1uf2 h TYR 252 Cb 0.52 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1uf2 h TYR 252 CO -0.57 -0.07 -0.28 -0.07 -1.64 0.00 0.00 178.16 175.53 1uf2 h LEU 253 N -0.08 -0.87 -1.37 2.82 3.38 -0.73 -2.11 115.31 116.35 1uf2 h LEU 253 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1uf2 h LEU 253 Cb 0.09 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1uf2 h LEU 253 CO -0.05 -0.32 0.18 0.77 0.09 0.00 0.00 178.44 179.10 1uf2 h SER 254 N -0.34 0.54 0.43 -0.43 4.64 -0.55 -2.92 113.55 114.93 1uf2 h SER 254 Ca 0.11 -0.05 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 1uf2 h SER 254 Cb 0.50 -0.14 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1uf2 h SER 254 CO -0.35 0.49 -1.42 0.77 -0.87 0.00 0.00 176.83 175.45 1uf2 h SER 255 N 0.60 0.59 -0.09 4.97 4.64 -0.92 -3.25 113.55 120.09 1uf2 h SER 255 Ca 0.15 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1uf2 h SER 255 Cb 0.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1uf2 h SER 255 CO -0.02 1.54 0.00 0.54 -0.87 0.00 0.00 176.83 178.02 1uf2 n ARG 256 N -3.59 1.36 -3.22 4.77 1.74 -0.81 -4.83 116.66 112.07 1uf2 n ARG 256 Ca -0.14 -0.38 -0.36 0.00 -0.77 0.00 0.00 57.85 56.20 1uf2 n ARG 256 Cb 1.06 -1.31 -0.06 0.00 -1.02 0.00 0.00 32.46 31.13 1uf2 n ARG 256 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uf2 s ALA 257 N -1.58 3.50 1.06 7.54 0.00 -1.11 -5.04 121.76 126.14 1uf2 s ALA 257 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 1uf2 s ALA 257 Cb 0.04 -2.68 0.21 0.00 0.00 0.00 0.00 23.12 20.69 1uf2 s ALA 257 CO 0.03 0.39 1.06 -0.35 0.00 0.00 0.00 175.76 176.89 1uf2 n PRO 258 N 0.92 -1.61 0.20 0.00 -0.04 -1.26 -4.95 135.00 128.27 1uf2 n PRO 258 Ca -0.05 -1.65 0.05 0.00 -0.04 0.00 0.00 63.50 61.82 1uf2 n PRO 258 Cb 0.51 -1.22 0.51 0.00 -0.04 0.00 0.00 33.50 33.26 1uf2 n PRO 258 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1uf2 h ASN 259 N -1.77 0.06 -0.60 3.54 -1.24 -1.99 -3.20 115.58 110.38 1uf2 h ASN 259 Ca -0.36 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1uf2 h ASN 259 Cb 1.01 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.05 1uf2 h ASN 259 CO 0.25 0.18 0.00 2.22 -1.29 0.00 0.00 177.43 178.79 1uf2 n PHE 260 N -4.37 1.34 -4.31 0.67 1.16 -1.26 -4.94 117.46 105.76 1uf2 n PHE 260 Ca -0.02 -0.62 -0.22 0.00 -1.87 0.00 0.00 57.45 54.73 1uf2 n PHE 260 Cb 0.21 -0.22 -0.11 0.00 -1.61 0.00 0.00 39.48 37.74 1uf2 n PHE 260 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1uf2 s LEU 261 N -1.81 2.40 0.15 5.98 1.43 -1.21 -1.92 118.68 123.70 1uf2 s LEU 261 Ca 0.48 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 1uf2 s LEU 261 Cb 0.31 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.77 1uf2 s LEU 261 CO 0.23 -0.03 0.46 0.00 0.23 0.00 0.00 176.35 177.24 1uf2 s ARG 262 N -2.58 1.18 0.56 1.70 1.70 -0.39 -4.67 118.95 116.44 1uf2 s ARG 262 Ca 0.13 -0.72 -0.14 0.00 -0.47 0.00 0.00 55.73 54.52 1uf2 s ARG 262 Cb -0.07 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 1uf2 s ARG 262 CO 0.06 -0.48 1.00 -0.51 -1.08 0.00 0.00 175.30 174.29 1uf2 s LEU 263 N -2.82 3.47 0.72 -1.89 1.43 -1.26 -1.00 118.68 117.34 1uf2 s LEU 263 Ca 0.04 1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 54.50 1uf2 s LEU 263 Cb 0.01 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.75 1uf2 s LEU 263 CO -0.10 -0.70 1.04 -0.67 0.23 0.00 0.00 176.35 176.15 1uf2 n ASP 264 N -2.03 0.77 0.32 2.29 2.03 -1.26 -4.79 116.55 113.87 1uf2 n ASP 264 Ca 0.06 0.68 -0.17 0.00 0.52 0.00 0.00 54.79 55.88 1uf2 n ASP 264 Cb 0.54 -1.44 -0.09 0.00 -0.72 0.00 0.00 41.12 39.41 1uf2 n ASP 264 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1uf2 h ASP 265 N -0.22 -1.20 -0.60 1.67 3.32 -1.98 -1.94 116.42 115.47 1uf2 h ASP 265 Ca -0.48 0.08 0.04 0.00 0.02 0.00 0.00 57.03 56.69 1uf2 h ASP 265 Cb 1.33 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 41.23 1uf2 h ASP 265 CO 0.48 -0.64 0.40 1.56 -1.72 0.00 0.00 179.24 179.32 1uf2 h GLN 266 N -0.98 0.67 0.12 3.56 4.20 -1.99 -1.75 115.11 118.93 1uf2 h GLN 266 Ca -0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1uf2 h GLN 266 Cb 0.82 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1uf2 h GLN 266 CO 0.01 0.44 -0.06 0.28 -0.67 0.00 0.00 178.83 178.83 1uf2 h VAL 267 N 0.69 0.97 -0.71 -0.54 2.07 -1.90 0.88 116.25 117.71 1uf2 h VAL 267 Ca 0.24 -0.31 0.12 0.00 0.82 0.00 0.00 66.70 67.58 1uf2 h VAL 267 Cb 0.10 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 1uf2 h VAL 267 CO -0.07 0.07 0.29 0.28 0.02 0.00 0.00 177.57 178.17 1uf2 h SER 268 N -0.30 0.29 0.01 0.57 0.02 -0.91 0.32 113.55 113.55 1uf2 h SER 268 Ca -0.02 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1uf2 h SER 268 Cb 0.24 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1uf2 h SER 268 CO 0.03 0.14 -0.00 0.25 -1.14 0.00 0.00 176.83 176.10 1uf2 h LEU 269 N 0.46 -0.01 -0.38 5.07 6.46 -0.98 -1.43 115.31 124.50 1uf2 h LEU 269 Ca 0.38 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1uf2 h LEU 269 Cb 0.52 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1uf2 h LEU 269 CO -0.36 0.17 0.25 0.50 -0.62 0.00 0.00 178.44 178.38 1uf2 h LYS 270 N -0.19 0.51 -0.07 1.25 3.64 0.32 -0.08 116.57 121.96 1uf2 h LYS 270 Ca -0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1uf2 h LYS 270 Cb 0.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1uf2 h LYS 270 CO 0.00 0.36 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.38 1uf2 h LEU 271 N 0.51 0.09 0.01 5.20 4.07 -0.38 -2.90 115.31 121.91 1uf2 h LEU 271 Ca 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1uf2 h LEU 271 Cb -0.03 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1uf2 h LEU 271 CO -0.03 0.19 -0.01 0.74 -1.08 0.00 0.00 178.44 178.26 1uf2 h THR 272 N 0.09 1.54 0.00 0.22 2.02 -0.56 -3.28 112.91 112.95 1uf2 h THR 272 Ca 0.02 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1uf2 h THR 272 Cb 0.22 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1uf2 h THR 272 CO 0.01 0.49 0.00 -1.54 0.37 0.00 0.00 175.52 174.85 1uf2 n SER 273 N -4.68 0.13 -4.65 4.18 3.41 -0.11 -4.82 113.62 107.08 1uf2 n SER 273 Ca -0.09 -1.39 -0.43 0.00 -0.26 0.00 0.00 58.87 56.70 1uf2 n SER 273 Cb 0.40 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.38 1.58 -1.60 7.33 0.00 -1.10 -4.94 120.51 121.40 1uf2 n ALA 274 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1uf2 n ALA 274 Cb 0.03 -2.71 0.21 0.00 0.00 0.00 0.00 19.45 16.98 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 4.73 -1.91 3.76 0.00 0.00 -1.26 -4.95 105.19 105.57 1uf2 n GLY 275 Ca 0.22 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.44 2.76 0.00 -0.61 2.07 -1.26 -3.32 121.20 117.39 1uf2 s ILE 276 Ca 0.69 0.57 0.00 0.00 -1.41 0.00 0.00 60.65 60.50 1uf2 s ILE 276 Cb -0.03 -3.29 0.00 0.00 0.13 0.00 0.00 42.46 39.27 1uf2 s ILE 276 CO 0.50 -0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 1uf2 n GLY 277 N 0.54 0.48 3.82 1.50 0.00 -1.26 -4.97 105.19 105.31 1uf2 n GLY 277 Ca 0.08 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 5.00 0.01 2.61 -4.23 -1.21 -1.15 115.64 114.67 1uf2 s THR 278 Ca 0.00 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1uf2 s THR 278 Cb 0.00 -3.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 1uf2 s THR 278 CO 0.00 0.38 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.62 1uf2 s LEU 279 N -1.70 2.10 0.10 4.79 1.43 -0.62 -4.35 118.68 120.43 1uf2 s LEU 279 Ca 0.23 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1uf2 s LEU 279 Cb -0.12 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1uf2 s LEU 279 CO 0.14 0.00 -0.10 -0.32 0.23 0.00 0.00 176.35 176.30 1uf2 s MET 280 N -0.65 0.87 0.13 1.70 1.75 0.12 -0.75 119.30 122.46 1uf2 s MET 280 Ca -0.01 -1.19 -0.31 0.00 -1.25 0.00 0.00 55.69 52.93 1uf2 s MET 280 Cb -0.05 -0.54 -0.09 0.00 2.84 0.00 0.00 34.83 36.99 1uf2 s MET 280 CO 0.00 0.08 1.46 -1.25 -0.65 0.00 0.00 175.02 174.66 1uf2 s PRO 281 N -2.89 4.28 0.16 4.11 0.04 -1.26 0.14 135.00 139.58 1uf2 s PRO 281 Ca 0.07 2.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1uf2 s PRO 281 Cb -0.02 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 1uf2 s PRO 281 CO -0.00 -0.51 1.15 0.50 0.04 0.00 0.00 177.00 178.18 1uf2 s ARG 282 N 1.21 4.52 0.26 4.56 3.52 -0.02 -4.79 118.95 128.21 1uf2 s ARG 282 Ca 0.67 1.78 -0.30 0.00 -0.13 0.00 0.00 55.73 57.75 1uf2 s ARG 282 Cb -0.39 -3.28 -0.10 0.00 -1.56 0.00 0.00 34.95 29.62 1uf2 s ARG 282 CO 0.30 -0.05 1.46 -1.25 -0.81 0.00 0.00 175.30 174.96 1uf2 s PRO 283 N -0.04 4.24 -0.37 5.12 0.04 -1.26 -4.91 135.00 137.81 1uf2 s PRO 283 Ca 0.52 2.35 -0.14 0.00 0.04 0.00 0.00 61.00 63.77 1uf2 s PRO 283 Cb -0.30 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1uf2 s PRO 283 CO 0.34 -0.45 0.27 0.14 0.04 0.00 0.00 177.00 177.34 1uf2 s VAL 284 N -0.08 5.27 -0.10 -0.36 -7.23 -1.26 -5.06 120.40 111.59 1uf2 s VAL 284 Ca 0.59 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 60.36 1uf2 s VAL 284 Cb -0.43 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 32.71 1uf2 s VAL 284 CO 0.45 -0.15 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.24 1uf2 s VAL 285 N 1.70 1.49 -0.28 1.32 1.01 -1.26 -5.07 120.40 119.31 1uf2 s VAL 285 Ca 0.06 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1uf2 s VAL 285 Cb -0.18 -1.35 0.11 0.00 0.00 0.00 0.00 36.38 34.96 1uf2 s VAL 285 CO 0.10 0.44 0.93 -1.10 0.00 0.00 0.00 175.10 175.47 1uf2 s GLN 286 N 0.82 0.60 -0.01 2.72 -1.52 -1.26 -4.66 119.66 116.35 1uf2 s GLN 286 Ca -0.10 0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 53.74 1uf2 s GLN 286 Cb -0.16 0.28 -0.07 0.00 -0.22 0.00 0.00 33.01 32.85 1uf2 s GLN 286 CO 0.01 -0.07 1.74 -1.17 -0.25 0.00 0.00 175.29 175.54 1uf2 s LEU 287 N 0.35 4.36 0.58 2.90 2.96 -1.26 -4.97 118.68 123.60 1uf2 s LEU 287 Ca 0.01 2.40 0.01 0.00 -0.22 0.00 0.00 54.13 56.33 1uf2 s LEU 287 Cb -0.05 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.15 1uf2 s LEU 287 CO -0.05 -0.95 0.82 -0.76 -1.32 0.00 0.00 176.35 174.09 1uf2 s LEU 288 N 3.91 3.20 -1.32 -0.68 1.43 -1.26 -4.74 118.68 119.22 1uf2 s LEU 288 Ca 0.77 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.75 1uf2 s LEU 288 Cb -0.37 -2.76 0.14 0.00 0.03 0.00 0.00 46.19 43.23 1uf2 s LEU 288 CO 0.33 -1.27 2.05 -0.67 0.23 0.00 0.00 176.35 177.02 1uf2 n ASP 289 N -2.45 5.74 0.18 2.29 -0.08 -1.26 -4.79 116.55 116.19 1uf2 n ASP 289 Ca 0.09 -3.08 0.09 0.00 -1.51 0.00 0.00 54.79 50.38 1uf2 n ASP 289 Cb 0.60 -1.47 0.49 0.00 2.34 0.00 0.00 41.12 43.08 1uf2 n ASP 289 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1uf2 h TYR 290 N 5.49 0.00 0.00 -0.67 -1.99 -1.98 -1.85 116.97 115.97 1uf2 h TYR 290 Ca 0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.22 1uf2 h TYR 290 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1uf2 h TYR 290 CO 1.36 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 179.27 1uf2 n ASP 291 N -2.20 0.48 0.26 3.88 8.00 -1.26 -2.86 116.55 122.85 1uf2 n ASP 291 Ca -0.01 0.63 0.10 0.00 0.71 0.00 0.00 54.79 56.22 1uf2 n ASP 291 Cb 0.20 -0.72 0.68 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.03 0.64 3.38 -1.75 -2.98 115.31 113.57 1uf2 h LEU 292 Ca 0.00 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.29 1uf2 h LEU 292 Cb 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.90 1uf2 h LEU 292 CO 0.00 0.10 0.59 -0.37 0.09 0.00 0.00 178.44 178.85 1uf2 h VAL 293 N 0.00 0.33 0.00 1.22 -1.51 -1.79 0.65 116.25 115.15 1uf2 h VAL 293 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1uf2 h VAL 293 Cb 0.22 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.33 1uf2 h VAL 293 CO 0.01 0.06 0.00 -1.22 -1.23 0.00 0.00 177.57 175.20 1uf2 n TYR 294 N -5.01 0.00 -0.03 5.19 0.53 -1.13 -3.18 117.16 113.54 1uf2 n TYR 294 Ca 0.31 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 57.22 1uf2 n TYR 294 Cb 0.97 0.00 -0.15 0.00 -1.03 0.00 0.00 39.34 39.13 1uf2 n TYR 294 CO 0.00 0.00 0.00 -0.12 -1.02 0.00 0.00 176.86 175.72 1uf2 n MET 295 N -0.97 0.66 -4.42 -0.72 1.56 0.23 -4.90 117.12 108.56 1uf2 n MET 295 Ca 0.18 -0.09 -0.33 0.00 -0.27 0.00 0.00 57.70 57.20 1uf2 n MET 295 Cb 0.08 -1.56 -0.16 0.00 2.15 0.00 0.00 33.22 33.74 1uf2 n MET 295 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1uf2 s SER 296 N -5.00 3.30 0.11 6.12 0.15 -1.19 -5.01 113.70 112.18 1uf2 s SER 296 Ca -0.08 -0.58 -0.34 0.00 0.70 0.00 0.00 55.95 55.65 1uf2 s SER 296 Cb 0.11 -1.50 -0.13 0.00 -1.71 0.00 0.00 66.02 62.78 1uf2 s SER 296 CO 0.87 0.05 1.56 -0.65 1.20 0.00 0.00 173.24 176.27 1uf2 h PRO 297 N 7.56 -0.66 -0.67 5.44 0.11 -1.84 -0.72 132.00 141.21 1uf2 h PRO 297 Ca -0.37 0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.92 1uf2 h PRO 297 Cb 1.17 0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.31 1uf2 h PRO 297 CO 0.59 -0.44 -0.15 1.25 -0.21 0.00 0.00 178.00 179.03 1uf2 h LEU 298 N -0.69 -0.59 -1.31 2.35 5.85 -1.81 0.29 115.31 119.40 1uf2 h LEU 298 Ca 0.01 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1uf2 h LEU 298 Cb 0.73 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1uf2 h LEU 298 CO -0.34 -0.22 0.44 0.00 -0.34 0.00 0.00 178.44 177.99 1uf2 h ALA 299 N 1.67 1.49 0.06 1.25 0.00 -1.60 -1.91 119.26 120.22 1uf2 h ALA 299 Ca 0.33 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 1uf2 h ALA 299 Cb 0.51 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1uf2 h ALA 299 CO -0.68 0.46 -1.08 1.25 0.00 0.00 0.00 179.25 179.20 1uf2 h LEU 300 N 0.93 0.41 -1.22 0.00 5.85 0.40 -2.66 115.31 119.03 1uf2 h LEU 300 Ca 0.25 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1uf2 h LEU 300 Cb -0.09 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1uf2 h LEU 300 CO -0.05 1.24 -0.01 -1.13 -0.34 0.00 0.00 178.44 178.15 1uf2 h ASN 301 N 0.12 0.49 0.46 1.25 -1.24 -0.03 -0.02 115.58 116.62 1uf2 h ASN 301 Ca -0.10 -0.09 -0.18 0.00 0.71 0.00 0.00 56.30 56.64 1uf2 h ASN 301 Cb 1.76 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.67 1uf2 h ASN 301 CO 0.18 0.57 -0.77 0.78 -1.29 0.00 0.00 177.43 176.90 1uf2 h ASN 302 N 0.50 0.29 0.15 1.15 2.35 -1.34 0.89 115.58 119.58 1uf2 h ASN 302 Ca 0.11 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1uf2 h ASN 302 Cb 0.34 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1uf2 h ASN 302 CO 0.01 0.95 -0.07 0.25 -1.65 0.00 0.00 177.43 176.92 1uf2 h LEU 303 N 0.15 -0.18 0.05 1.61 6.46 -0.98 -1.65 115.31 120.79 1uf2 h LEU 303 Ca -0.03 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1uf2 h LEU 303 Cb 1.34 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.32 1uf2 h LEU 303 CO 0.12 0.02 -0.04 0.00 -0.62 0.00 0.00 178.44 177.92 1uf2 h ALA 304 N 0.45 -0.09 -0.65 1.25 0.00 -0.97 -0.14 119.26 119.11 1uf2 h ALA 304 Ca -0.02 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1uf2 h ALA 304 Cb 0.29 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1uf2 h ALA 304 CO 0.03 -0.56 -0.09 1.03 0.00 0.00 0.00 179.25 179.67 1uf2 h SER 305 N -0.10 -0.46 -0.02 0.00 0.87 -0.69 -1.15 113.55 112.00 1uf2 h SER 305 Ca -0.00 0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.57 1uf2 h SER 305 Cb 0.09 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1uf2 h SER 305 CO -0.01 -0.18 -0.58 -0.09 -0.53 0.00 0.00 176.83 175.45 1uf2 h ARG 306 N 0.05 0.61 -0.92 2.24 9.65 -1.05 -2.49 114.38 122.47 1uf2 h ARG 306 Ca 0.33 -0.40 0.09 0.00 -1.10 0.00 0.00 59.98 58.90 1uf2 h ARG 306 Cb 0.53 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.10 1uf2 h ARG 306 CO -0.62 1.02 0.60 1.25 2.80 0.00 0.00 179.97 185.01 1uf2 h LEU 307 N 0.46 0.87 0.10 3.80 7.12 0.14 -2.69 115.31 125.11 1uf2 h LEU 307 Ca 0.00 0.02 -0.23 0.00 0.13 0.00 0.00 57.88 57.81 1uf2 h LEU 307 Cb 1.14 -0.16 0.02 0.00 -0.53 0.00 0.00 40.66 41.13 1uf2 h LEU 307 CO 0.11 0.52 -0.95 -0.07 -0.13 0.00 0.00 178.44 177.93 1uf2 h LEU 308 N 0.97 0.67 -1.44 2.25 3.38 -1.22 -3.31 115.31 116.60 1uf2 h LEU 308 Ca 0.42 -0.85 0.13 0.00 0.09 0.00 0.00 57.88 57.68 1uf2 h LEU 308 Cb 0.34 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1uf2 h LEU 308 CO -0.18 1.45 0.52 0.03 0.09 0.00 0.00 178.44 180.35 1uf2 h ARG 309 N -0.02 0.56 0.00 1.13 3.08 -1.13 -2.48 114.38 115.52 1uf2 h ARG 309 Ca -0.15 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1uf2 h ARG 309 Cb 1.68 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 1uf2 h ARG 309 CO 0.18 0.37 -0.45 -0.22 -1.07 0.00 0.00 179.97 178.78 1uf2 h LYS 310 N 0.57 0.00 -6.41 0.04 1.63 -1.58 -3.46 116.57 107.37 1uf2 h LYS 310 Ca 0.39 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.59 1uf2 h LYS 310 Cb 0.69 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.36 1uf2 h LYS 310 CO -0.15 0.45 0.92 -0.89 -3.45 0.00 0.00 179.45 176.34 1uf2 n ILE 311 N -3.59 0.25 -3.47 2.00 5.41 -0.93 -4.97 119.36 114.05 1uf2 n ILE 311 Ca -0.00 -0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.57 1uf2 n ILE 311 Cb 0.55 -1.68 -0.10 0.00 -0.71 0.00 0.00 39.64 37.70 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 2.23 0.59 0.03 4.38 0.15 -1.26 -5.10 113.70 114.73 1uf2 s SER 312 Ca 0.85 0.19 0.04 0.00 0.70 0.00 0.00 55.95 57.73 1uf2 s SER 312 Cb -0.68 0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 1uf2 s SER 312 CO 0.44 -0.29 -0.06 -0.76 1.20 0.00 0.00 173.24 173.76 1uf2 s LEU 313 N 2.46 3.21 -0.32 3.45 1.43 -1.26 -4.97 118.68 122.68 1uf2 s LEU 313 Ca 0.08 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1uf2 s LEU 313 Cb -0.15 -1.88 0.09 0.00 0.03 0.00 0.00 46.19 44.28 1uf2 s LEU 313 CO -0.13 0.25 0.04 -2.28 0.23 0.00 0.00 176.35 174.46 1uf2 s HIS 314 N -1.08 3.13 0.15 0.29 2.46 -1.26 -5.11 115.29 113.87 1uf2 s HIS 314 Ca 0.19 -2.56 0.08 0.00 0.47 0.00 0.00 55.06 53.25 1uf2 s HIS 314 Cb -0.11 -2.46 -0.04 0.00 -0.13 0.00 0.00 32.58 29.84 1uf2 s HIS 314 CO 0.10 -0.91 -0.10 -0.51 -2.47 0.00 0.00 174.74 170.85 1uf2 s LEU 315 N 1.13 3.00 -0.09 8.88 1.43 -1.26 -4.69 118.68 127.08 1uf2 s LEU 315 Ca 0.08 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1uf2 s LEU 315 Cb -0.19 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1uf2 s LEU 315 CO -0.12 0.13 -0.19 0.68 0.23 0.00 0.00 176.35 177.08 1uf2 s VAL 316 N -1.50 1.70 0.09 -1.59 -7.23 -1.26 -5.08 120.40 105.53 1uf2 s VAL 316 Ca 0.23 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1uf2 s VAL 316 Cb -0.10 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 1uf2 s VAL 316 CO 0.15 0.48 -0.09 -0.04 -0.31 0.00 0.00 175.10 175.29 1uf2 s MET 317 N 0.53 0.81 1.19 4.82 -1.94 -1.26 -0.64 119.30 122.82 1uf2 s MET 317 Ca -0.16 -1.17 -0.18 0.00 -1.71 0.00 0.00 55.69 52.46 1uf2 s MET 317 Cb -0.17 -0.41 0.28 0.00 2.01 0.00 0.00 34.83 36.54 1uf2 s MET 317 CO 0.06 0.05 1.09 -0.65 -0.01 0.00 0.00 175.02 175.56 1uf2 s GLN 318 N -2.99 -1.14 0.16 2.03 -0.21 -0.96 -4.95 119.66 111.60 1uf2 s GLN 318 Ca 0.06 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 1uf2 s GLN 318 Cb -0.01 -1.60 -0.08 0.00 1.00 0.00 0.00 33.01 32.32 1uf2 s GLN 318 CO -0.01 -3.68 1.28 -1.64 -2.12 0.00 0.00 175.29 169.12 1uf2 s MET 319 N -5.31 4.40 0.30 2.91 -1.94 -1.26 -4.88 119.30 113.52 1uf2 s MET 319 Ca 0.70 1.98 0.05 0.00 -1.71 0.00 0.00 55.69 56.71 1uf2 s MET 319 Cb -0.11 -3.24 0.78 0.00 2.01 0.00 0.00 34.83 34.27 1uf2 s MET 319 CO 0.57 -0.25 1.69 0.28 -0.01 0.00 0.00 175.02 177.30 1uf2 h VAL 320 N 3.95 0.45 0.00 -6.03 2.07 -1.97 -2.67 116.25 112.05 1uf2 h VAL 320 Ca -0.44 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1uf2 h VAL 320 Cb 1.21 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1uf2 h VAL 320 CO 0.79 0.07 0.00 0.41 0.02 0.00 0.00 177.57 178.86 1uf2 n THR 321 N -5.04 0.00 -0.48 2.57 -1.04 -1.26 -2.93 114.28 106.09 1uf2 n THR 321 Ca 0.24 1.34 0.40 0.00 -2.04 0.00 0.00 64.05 63.98 1uf2 n THR 321 Cb 0.70 -2.22 0.69 0.00 -1.82 0.00 0.00 70.33 67.67 1uf2 n THR 321 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uf2 h ALA 322 N -1.84 2.95 -0.37 2.41 0.00 -1.88 0.70 119.26 121.24 1uf2 h ALA 322 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1uf2 h ALA 322 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1uf2 h ALA 322 CO 0.00 -1.56 -0.29 0.28 0.00 0.00 0.00 179.25 177.69 1uf2 h VAL 323 N 0.06 1.28 0.78 0.00 2.07 -1.45 -0.75 116.25 118.24 1uf2 h VAL 323 Ca 0.83 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1uf2 h VAL 323 Cb 2.78 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 33.95 1uf2 h VAL 323 CO -0.34 0.48 -0.37 1.56 0.02 0.00 0.00 177.57 178.92 1uf2 h GLN 324 N 0.64 -1.00 -1.06 1.57 4.20 0.47 -0.77 115.11 119.16 1uf2 h GLN 324 Ca 0.07 0.07 0.28 0.00 0.06 0.00 0.00 58.65 59.13 1uf2 h GLN 324 Cb 0.86 0.23 -0.09 0.00 0.30 0.00 0.00 27.48 28.78 1uf2 h GLN 324 CO 0.07 -0.67 0.69 0.37 -0.67 0.00 0.00 178.83 178.63 1uf2 h GLN 325 N -1.05 0.33 0.02 1.46 -0.00 -1.13 0.77 115.11 115.51 1uf2 h GLN 325 Ca -0.11 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.52 1uf2 h GLN 325 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.21 1uf2 h GLN 325 CO 0.17 0.22 -0.01 0.22 0.00 0.00 0.00 178.83 179.43 1uf2 h ASP 326 N 0.34 -0.02 -0.24 -0.69 -0.00 -0.49 -2.99 116.42 112.33 1uf2 h ASP 326 Ca 0.60 -0.72 -0.09 0.00 -0.00 0.00 0.00 57.03 56.82 1uf2 h ASP 326 Cb 1.62 0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 40.94 1uf2 h ASP 326 CO -0.27 0.74 -0.14 -0.07 -0.00 0.00 0.00 179.24 179.50 1uf2 h LEU 327 N -0.81 0.64 -1.78 2.28 3.38 -0.64 -1.89 115.31 116.48 1uf2 h LEU 327 Ca -0.00 -0.19 0.31 0.00 0.09 0.00 0.00 57.88 58.09 1uf2 h LEU 327 Cb 0.74 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1uf2 h LEU 327 CO 0.00 0.81 0.77 1.23 0.09 0.00 0.00 178.44 181.34 1uf2 h GLY 328 N 0.97 0.42 0.69 0.83 0.00 0.52 0.37 103.07 106.88 1uf2 h GLY 328 Ca 0.10 -0.07 -0.27 0.00 0.00 0.00 0.00 47.33 47.10 1uf2 h GLY 328 CO 0.04 -0.05 -1.29 0.83 0.00 0.00 0.00 176.54 176.07 1uf2 h GLU 329 N 0.13 0.30 -0.13 4.80 5.08 -1.21 -2.73 114.58 120.83 1uf2 h GLU 329 Ca 0.56 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1uf2 h GLU 329 Cb 1.96 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1uf2 h GLU 329 CO -0.11 1.25 0.08 0.28 -1.00 0.00 0.00 179.01 179.51 1uf2 h VAL 330 N -0.24 1.02 0.00 3.13 2.07 0.25 -2.95 116.25 119.54 1uf2 h VAL 330 Ca -0.26 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1uf2 h VAL 330 Cb 1.80 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1uf2 h VAL 330 CO 0.12 0.03 -1.83 1.33 0.02 0.00 0.00 177.57 177.23 1uf2 n VAL 331 N -4.52 0.00 -2.09 2.57 0.24 -0.03 -4.84 118.33 109.66 1uf2 n VAL 331 Ca -0.01 -0.42 -0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1uf2 n VAL 331 Cb 0.09 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1uf2 n VAL 331 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1uf2 n SER 332 N -2.14 -4.15 -4.62 -1.34 2.88 -1.05 -4.83 113.62 98.38 1uf2 n SER 332 Ca -0.03 -0.04 -0.43 0.00 -1.33 0.00 0.00 58.87 57.04 1uf2 n SER 332 Cb 0.50 -2.59 -0.02 0.00 -0.75 0.00 0.00 64.21 61.34 1uf2 n SER 332 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1uf2 s VAL 333 N -3.01 4.05 -0.38 2.46 1.01 -1.10 -4.99 120.40 118.43 1uf2 s VAL 333 Ca 0.01 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.91 1uf2 s VAL 333 Cb -0.00 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1uf2 s VAL 333 CO 0.28 -0.52 0.84 -0.44 0.00 0.00 0.00 175.10 175.26 1uf2 s SER 334 N 3.18 6.58 0.00 3.32 0.01 -1.26 -4.89 113.70 120.64 1uf2 s SER 334 Ca 0.59 0.38 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1uf2 s SER 334 Cb -0.17 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1uf2 s SER 334 CO 0.26 -0.81 0.04 -1.54 0.41 0.00 0.00 173.24 171.60 1uf2 n SER 335 N 6.61 0.03 0.00 2.44 3.41 -1.26 -1.06 113.62 123.79 1uf2 n SER 335 Ca 0.05 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1uf2 n SER 335 Cb 0.48 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1uf2 n SER 335 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uf2 n ASN 336 N 0.04 3.77 -4.76 4.04 3.02 -1.26 -5.05 115.26 115.07 1uf2 n ASN 336 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 1uf2 n ASN 336 Cb 0.01 0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.44 1uf2 n ASN 336 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uf2 s VAL 337 N -1.78 4.83 -0.25 2.41 1.01 -0.22 -5.06 120.40 121.34 1uf2 s VAL 337 Ca 0.00 1.40 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 1uf2 s VAL 337 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1uf2 s VAL 337 CO 0.00 0.40 0.14 -0.89 0.00 0.00 0.00 175.10 174.75 1uf2 s THR 338 N -0.17 5.05 0.06 3.92 2.01 -1.26 -4.66 115.64 120.59 1uf2 s THR 338 Ca 0.34 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1uf2 s THR 338 Cb -0.19 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1uf2 s THR 338 CO 0.20 0.32 0.27 0.54 -0.69 0.00 0.00 174.62 175.26 1uf2 s ASN 339 N 1.36 -0.06 0.08 3.53 4.22 -1.26 -5.04 114.94 117.76 1uf2 s ASN 339 Ca 0.07 -0.32 -0.16 0.00 -2.14 0.00 0.00 52.86 50.31 1uf2 s ASN 339 Cb -0.15 0.35 -0.04 0.00 1.28 0.00 0.00 41.25 42.70 1uf2 s ASN 339 CO 0.06 -0.65 1.27 1.55 -2.04 0.00 0.00 177.10 177.29 1uf2 h PRO 340 N 3.09 -0.03 -0.79 3.55 0.13 -1.97 -0.61 132.00 135.37 1uf2 h PRO 340 Ca -0.32 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.93 1uf2 h PRO 340 Cb 1.20 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1uf2 h PRO 340 CO 0.48 -0.02 -0.39 0.00 -0.23 0.00 0.00 178.00 177.84 1uf2 h ALA 341 N -0.32 -0.04 -0.18 -0.56 0.00 -1.96 -1.32 119.26 114.88 1uf2 h ALA 341 Ca 0.07 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1uf2 h ALA 341 Cb 0.22 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1uf2 h ALA 341 CO -0.44 -0.70 0.01 1.03 0.00 0.00 0.00 179.25 179.14 1uf2 h SER 342 N -0.10 -0.05 -0.07 0.00 0.87 -1.69 -3.25 113.55 109.26 1uf2 h SER 342 Ca 0.27 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 1uf2 h SER 342 Cb 0.56 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1uf2 h SER 342 CO -0.83 -0.00 -0.17 0.00 -0.53 0.00 0.00 176.83 175.30 1uf2 h ALA 343 N 1.15 -0.14 -0.52 6.23 0.00 0.00 -2.78 119.26 123.20 1uf2 h ALA 343 Ca 0.08 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1uf2 h ALA 343 Cb 0.10 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1uf2 h ALA 343 CO -0.14 -0.64 0.36 0.00 0.00 0.00 0.00 179.25 178.83 1uf2 n LEU 345 N -4.45 0.00 -0.05 0.00 4.77 -1.05 -1.75 117.00 114.48 1uf2 n LEU 345 Ca 0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1uf2 n LEU 345 Cb 0.43 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1uf2 n LEU 345 CO 0.35 0.00 -0.81 0.52 -1.33 0.00 0.00 177.39 176.12 1uf2 n VAL 346 N -0.96 0.66 0.97 4.08 0.31 -0.73 -4.34 118.33 118.32 1uf2 n VAL 346 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1uf2 n VAL 346 Cb 0.00 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1uf2 n VAL 346 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1uf2 n ARG 347 N -2.35 0.97 -3.30 5.55 1.74 -0.71 -4.68 116.66 113.87 1uf2 n ARG 347 Ca -0.16 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.48 1uf2 n ARG 347 Cb 0.81 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.95 1uf2 n ARG 347 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1uf2 s MET 348 N -0.45 3.01 0.22 5.56 1.75 -1.24 -4.86 119.30 123.30 1uf2 s MET 348 Ca 0.00 -1.33 0.08 0.00 -1.25 0.00 0.00 55.69 53.19 1uf2 s MET 348 Cb 0.00 -4.17 -0.05 0.00 2.84 0.00 0.00 34.83 33.45 1uf2 s MET 348 CO 0.00 -1.17 -0.13 0.54 -0.65 0.00 0.00 175.02 173.62 1uf2 s ASN 349 N 2.89 2.62 -0.07 1.11 6.03 -1.26 -5.05 114.94 121.21 1uf2 s ASN 349 Ca 0.07 -1.06 -0.19 0.00 -1.03 0.00 0.00 52.86 50.65 1uf2 s ASN 349 Cb -0.24 -0.14 -0.30 0.00 -3.03 0.00 0.00 41.25 37.54 1uf2 s ASN 349 CO 0.07 -0.21 0.75 0.58 -2.03 0.00 0.00 177.10 176.27 1uf2 h VAL 350 N 2.50 1.30 -1.01 3.54 2.07 -1.96 -3.33 116.25 119.35 1uf2 h VAL 350 Ca -0.38 -2.49 0.26 0.00 0.82 0.00 0.00 66.70 64.91 1uf2 h VAL 350 Cb 1.22 2.99 -0.13 0.00 -1.52 0.00 0.00 31.29 33.85 1uf2 h VAL 350 CO 0.63 0.71 0.60 -0.61 0.02 0.00 0.00 177.57 178.92 1uf2 h GLN 351 N -0.33 0.50 -0.36 1.57 4.15 -1.99 0.58 115.11 119.23 1uf2 h GLN 351 Ca -0.22 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.23 1uf2 h GLN 351 Cb 1.71 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 29.24 1uf2 h GLN 351 CO 0.12 0.33 0.08 0.78 -1.93 0.00 0.00 178.83 178.21 1uf2 h GLY 352 N 0.51 0.43 1.01 2.39 0.00 -1.91 -1.55 103.07 103.95 1uf2 h GLY 352 Ca 0.66 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.97 1uf2 h GLY 352 CO -0.48 -0.02 0.58 -2.08 0.00 0.00 0.00 176.54 174.55 1uf2 h VAL 353 N 0.21 1.22 0.07 4.60 2.07 -1.05 0.16 116.25 123.54 1uf2 h VAL 353 Ca 0.17 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1uf2 h VAL 353 Cb 0.19 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1uf2 h VAL 353 CO -0.21 0.22 -0.11 1.56 0.02 0.00 0.00 177.57 179.04 1uf2 h GLN 354 N 1.19 -0.19 -0.76 1.57 4.20 -0.80 -0.47 115.11 119.85 1uf2 h GLN 354 Ca 0.32 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.19 1uf2 h GLN 354 Cb -0.14 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 27.54 1uf2 h GLN 354 CO -0.07 -0.12 -0.23 1.15 -0.67 0.00 0.00 178.83 178.89 1uf2 h THR 355 N -0.19 0.20 -0.21 -0.54 2.02 -1.17 -1.07 112.91 111.94 1uf2 h THR 355 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1uf2 h THR 355 Cb 0.18 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 1uf2 h THR 355 CO -0.03 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.06 1uf2 h LEU 356 N -0.03 -0.19 0.62 2.58 7.12 -0.75 -1.80 115.31 122.86 1uf2 h LEU 356 Ca 0.35 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.39 1uf2 h LEU 356 Cb 0.57 0.13 0.01 0.00 -0.53 0.00 0.00 40.66 40.83 1uf2 h LEU 356 CO -0.79 -0.07 -0.30 0.00 -0.13 0.00 0.00 178.44 177.16 1uf2 h ALA 357 N 1.21 -0.83 -0.99 1.25 0.00 0.11 -0.93 119.26 119.09 1uf2 h ALA 357 Ca 0.10 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.06 1uf2 h ALA 357 Cb 0.15 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 1uf2 h ALA 357 CO -0.21 -0.94 0.56 -0.24 0.00 0.00 0.00 179.25 178.42 1uf2 h VAL 358 N -0.88 0.53 0.81 0.00 3.04 -1.17 0.12 116.25 118.71 1uf2 h VAL 358 Ca -0.08 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.37 1uf2 h VAL 358 Cb 0.65 -0.08 0.01 0.00 -2.01 0.00 0.00 31.29 29.87 1uf2 h VAL 358 CO 0.14 0.10 -0.39 0.15 -1.01 0.00 0.00 177.57 176.56 1uf2 h PHE 359 N 0.56 -1.01 -1.13 3.17 3.57 -0.94 -1.39 116.94 119.77 1uf2 h PHE 359 Ca 0.63 -0.02 0.35 0.00 3.53 0.00 0.00 57.97 62.45 1uf2 h PHE 359 Cb 1.19 0.33 -0.12 0.00 2.79 0.00 0.00 35.95 40.14 1uf2 h PHE 359 CO -0.03 -0.62 0.71 0.82 -2.23 0.00 0.00 178.31 176.97 1uf2 h ILE 360 N -1.18 0.30 0.70 1.41 2.04 0.40 0.61 117.51 121.80 1uf2 h ILE 360 Ca -0.11 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1uf2 h ILE 360 Cb 0.84 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1uf2 h ILE 360 CO 0.18 0.05 -0.34 0.00 0.00 0.00 0.00 178.15 178.04 1uf2 h ALA 361 N 1.68 -1.02 -0.30 1.87 0.00 -0.28 -3.17 119.26 118.05 1uf2 h ALA 361 Ca 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1uf2 h ALA 361 Cb 1.96 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.10 1uf2 h ALA 361 CO -0.44 -0.95 0.15 -0.56 0.00 0.00 0.00 179.25 177.45 1uf2 h GLN 362 N -1.15 0.44 0.00 0.00 3.07 -0.31 -1.53 115.11 115.62 1uf2 h GLN 362 Ca -0.10 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1uf2 h GLN 362 Cb 0.72 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1uf2 h GLN 362 CO 0.16 0.41 0.32 0.43 0.09 0.00 0.00 178.83 180.24 1uf2 n SER 363 N -4.77 0.13 -0.00 0.06 7.64 0.12 0.27 113.62 117.06 1uf2 n SER 363 Ca -0.02 0.36 0.08 0.00 1.01 0.00 0.00 58.87 60.30 1uf2 n SER 363 Cb 0.10 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.60 1.27 0.10 1.43 0.00 -0.59 -4.50 117.12 113.23 1uf2 n MET 364 Ca -0.00 -0.07 -0.23 0.00 -0.00 0.00 0.00 57.70 57.39 1uf2 n MET 364 Cb 0.33 -1.29 -0.15 0.00 0.00 0.00 0.00 33.22 32.10 1uf2 n MET 364 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1uf2 h LEU 365 N 0.00 0.70 -6.00 -0.89 3.38 -0.09 -0.80 115.31 111.62 1uf2 h LEU 365 Ca 0.00 -0.91 0.11 0.00 0.09 0.00 0.00 57.88 57.17 1uf2 h LEU 365 Cb 0.53 -0.23 -0.21 0.00 0.09 0.00 0.00 40.66 40.84 1uf2 h LEU 365 CO 0.00 1.75 -0.22 0.21 0.09 0.00 0.00 178.44 180.27 1uf2 s ASN 366 N -7.40 -1.27 0.66 -0.43 3.04 -1.21 -1.22 114.94 107.10 1uf2 s ASN 366 Ca -0.13 0.73 0.42 0.00 0.04 0.00 0.00 52.86 53.93 1uf2 s ASN 366 Cb 0.05 2.04 2.32 0.00 -1.54 0.00 0.00 41.25 44.12 1uf2 s ASN 366 CO 0.89 -0.24 2.33 1.55 -3.04 0.00 0.00 177.10 178.60 1uf2 h PRO 367 N 7.99 0.00 -0.51 0.43 0.13 -1.79 -3.15 132.00 135.10 1uf2 h PRO 367 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1uf2 h PRO 367 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1uf2 h PRO 367 CO 0.20 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.06 1uf2 n ASN 368 N -3.15 2.77 -0.06 1.44 3.02 -1.26 -4.34 115.26 113.66 1uf2 n ASN 368 Ca -0.03 -1.99 -0.19 0.00 -0.03 0.00 0.00 54.58 52.34 1uf2 n ASN 368 Cb 0.10 -0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 38.80 1uf2 n ASN 368 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1uf2 n ILE 369 N 1.01 1.62 -3.68 2.41 -0.00 -1.19 -4.83 119.36 114.70 1uf2 n ILE 369 Ca 0.17 -0.64 -0.10 0.00 -0.00 0.00 0.00 62.75 62.19 1uf2 n ILE 369 Cb 0.44 -1.48 -0.05 0.00 -0.00 0.00 0.00 39.64 38.54 1uf2 n ILE 369 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1uf2 s SER 370 N -6.67 -0.17 0.15 4.38 1.04 -1.26 -1.52 113.70 109.65 1uf2 s SER 370 Ca -0.27 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 55.89 1uf2 s SER 370 Cb 0.08 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1uf2 s SER 370 CO 0.70 -0.80 -0.15 -0.72 0.98 0.00 0.00 173.24 173.25 1uf2 s TYR 371 N -3.62 1.55 0.08 5.02 -0.85 -0.53 -4.73 117.35 114.26 1uf2 s TYR 371 Ca 0.02 -0.55 0.05 0.00 -0.52 0.00 0.00 57.07 56.07 1uf2 s TYR 371 Cb 0.02 -0.78 -0.04 0.00 0.38 0.00 0.00 41.96 41.54 1uf2 s TYR 371 CO -0.10 0.22 -0.05 0.20 -1.52 0.00 0.00 175.55 174.30 1uf2 s GLY 372 N -2.69 1.84 -0.36 5.49 0.00 0.14 -3.42 107.32 108.33 1uf2 s GLY 372 Ca 0.13 -1.14 -0.06 0.00 0.00 0.00 0.00 44.72 43.66 1uf2 s GLY 372 CO 0.04 -1.09 0.13 -0.29 0.00 0.00 0.00 173.10 171.89 1uf2 s MET 373 N -2.08 2.48 0.23 2.90 1.75 -0.57 -3.90 119.30 120.12 1uf2 s MET 373 Ca 0.22 -1.35 -0.30 0.00 -1.25 0.00 0.00 55.69 53.01 1uf2 s MET 373 Cb -0.11 -3.49 -0.09 0.00 2.84 0.00 0.00 34.83 33.97 1uf2 s MET 373 CO 0.14 -0.78 1.18 0.42 -0.65 0.00 0.00 175.02 175.34 1uf2 s ILE 374 N 1.34 3.44 -0.02 10.11 1.01 -1.26 -1.62 121.20 134.20 1uf2 s ILE 374 Ca 0.00 1.30 -0.05 0.00 0.00 0.00 0.00 60.65 61.90 1uf2 s ILE 374 Cb -0.21 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1uf2 s ILE 374 CO 0.01 0.25 0.21 -0.55 0.00 0.00 0.00 174.94 174.86 1uf2 s SER 375 N -0.24 6.42 -0.58 3.58 0.15 -0.19 -4.64 113.70 118.21 1uf2 s SER 375 Ca 0.50 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.59 1uf2 s SER 375 Cb -0.33 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1uf2 s SER 375 CO 0.40 0.28 0.49 0.61 1.20 0.00 0.00 173.24 176.22 1uf2 n GLY 376 N 1.16 0.10 2.44 9.45 0.00 -1.26 -4.72 105.19 112.37 1uf2 n GLY 376 Ca -0.12 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.51 6.63 -4.16 0.99 4.77 -1.26 -4.89 117.00 116.56 1uf2 n LEU 377 Ca -0.10 -4.04 -0.36 0.00 -0.03 0.00 0.00 56.01 51.47 1uf2 n LEU 377 Cb 0.57 -1.18 0.05 0.00 -2.33 0.00 0.00 43.42 40.53 1uf2 n LEU 377 CO 0.29 1.65 -0.87 0.41 -1.33 0.00 0.00 177.39 177.54 1uf2 n THR 378 N 0.58 0.19 -0.21 -5.08 -1.04 -1.26 -4.83 114.28 102.62 1uf2 n THR 378 Ca 0.47 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1uf2 n THR 378 Cb 0.53 -0.18 0.12 0.00 -1.82 0.00 0.00 70.33 68.97 1uf2 n THR 378 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1uf2 h LEU 379 N -0.86 0.28 -4.07 -4.42 5.85 -1.98 -2.76 115.31 107.35 1uf2 h LEU 379 Ca -0.44 0.07 -0.58 0.00 0.84 0.00 0.00 57.88 57.78 1uf2 h LEU 379 Cb 1.33 0.04 -0.41 0.00 0.37 0.00 0.00 40.66 41.99 1uf2 h LEU 379 CO 0.30 0.16 -0.59 -0.90 -0.34 0.00 0.00 178.44 177.07 1uf2 n ASP 380 N -4.96 5.16 -0.25 1.25 5.75 -1.26 -4.64 116.55 117.60 1uf2 n ASP 380 Ca 0.09 -3.75 0.08 0.00 -0.01 0.00 0.00 54.79 51.21 1uf2 n ASP 380 Cb 0.27 -0.45 0.33 0.00 -1.03 0.00 0.00 41.12 40.24 1uf2 n ASP 380 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uf2 n PHE 382 N -4.52 0.00 1.29 0.00 3.01 -1.26 -0.66 117.46 115.32 1uf2 n PHE 382 Ca 0.14 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.68 1uf2 n PHE 382 Cb 0.32 -0.47 0.30 0.00 -0.01 0.00 0.00 39.48 39.61 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 -1.47 1.36 -4.06 4.37 7.64 -0.70 -4.25 113.62 116.51 1uf2 n SER 383 Ca 0.00 -1.79 -0.34 0.00 1.01 0.00 0.00 58.87 57.75 1uf2 n SER 383 Cb 0.02 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.34 5.52 0.22 6.43 3.84 0.17 -4.88 114.94 124.89 1uf2 s ASN 384 Ca 0.26 -3.53 -0.01 0.00 0.21 0.00 0.00 52.86 49.79 1uf2 s ASN 384 Cb 0.14 -1.83 0.47 0.00 -0.55 0.00 0.00 41.25 39.47 1uf2 s ASN 384 CO 0.20 -0.21 1.13 2.22 -2.79 0.00 0.00 177.10 177.65 1uf2 n PHE 385 N 2.54 0.38 0.12 0.43 1.16 -1.26 -0.58 117.46 120.25 1uf2 n PHE 385 Ca 0.17 0.87 -0.07 0.00 -1.87 0.00 0.00 57.45 56.55 1uf2 n PHE 385 Cb 0.37 -0.99 -0.04 0.00 -1.61 0.00 0.00 39.48 37.20 1uf2 n PHE 385 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1uf2 h ILE 386 N 0.00 0.00 -0.47 1.97 2.04 -1.94 0.75 117.51 119.85 1uf2 h ILE 386 Ca 0.40 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.36 1uf2 h ILE 386 Cb 0.76 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.74 1uf2 h ILE 386 CO -0.70 0.00 -0.25 0.22 0.00 0.00 0.00 178.15 177.41 1uf2 h TYR 387 N -0.40 -0.67 -0.29 1.37 3.20 -1.53 -0.43 116.97 118.22 1uf2 h TYR 387 Ca -0.03 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1uf2 h TYR 387 Cb 0.34 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 38.90 1uf2 h TYR 387 CO -0.13 -0.33 -0.55 0.78 -1.64 0.00 0.00 178.16 176.29 1uf2 h GLY 388 N -0.15 -1.05 0.38 1.82 0.00 -0.45 0.77 103.07 104.39 1uf2 h GLY 388 Ca 0.21 0.71 0.12 0.00 0.00 0.00 0.00 47.33 48.37 1uf2 h GLY 388 CO -0.56 -0.15 0.42 0.00 0.00 0.00 0.00 176.54 176.25 1uf2 h ALA 389 N -0.16 1.17 0.04 3.60 0.00 0.14 -0.84 119.26 123.20 1uf2 h ALA 389 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uf2 h ALA 389 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1uf2 h ALA 389 CO -0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 179.25 178.69 1uf2 h LEU 391 N -0.19 0.68 -0.68 0.00 5.85 -0.25 0.30 115.31 121.03 1uf2 h LEU 391 Ca -0.01 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1uf2 h LEU 391 Cb 0.17 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1uf2 h LEU 391 CO 0.01 0.41 0.24 0.24 -0.34 0.00 0.00 178.44 179.00 1uf2 h MET 392 N 0.80 1.03 0.70 1.25 2.86 -0.95 -2.45 114.93 118.17 1uf2 h MET 392 Ca 0.37 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1uf2 h MET 392 Cb 0.28 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.79 1uf2 h MET 392 CO -0.22 0.88 -0.33 -0.07 1.06 0.00 0.00 176.91 178.23 1uf2 h LEU 393 N 0.97 -0.79 -1.34 1.22 3.38 -0.17 -2.99 115.31 115.60 1uf2 h LEU 393 Ca 0.22 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.65 1uf2 h LEU 393 Cb 0.26 0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 1uf2 h LEU 393 CO -0.01 -0.43 0.87 0.33 0.09 0.00 0.00 178.44 179.29 1uf2 n PHE 394 N -5.41 0.59 0.27 1.13 7.35 0.98 0.16 117.46 122.52 1uf2 n PHE 394 Ca -0.12 0.59 0.03 0.00 -0.76 0.00 0.00 57.45 57.19 1uf2 n PHE 394 Cb 0.38 -1.02 0.15 0.00 0.35 0.00 0.00 39.48 39.33 1uf2 n PHE 394 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1uf2 n GLN 395 N -4.49 0.07 0.00 -4.13 6.02 -0.93 -1.66 117.38 112.27 1uf2 n GLN 395 Ca 0.38 0.25 0.08 0.00 -0.01 0.00 0.00 57.00 57.70 1uf2 n GLN 395 Cb 1.50 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1uf2 n GLN 395 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uf2 n ALA 396 N -1.32 3.64 0.99 -1.58 0.00 0.41 -0.87 120.51 121.78 1uf2 n ALA 396 Ca 0.03 -0.52 0.10 0.00 0.00 0.00 0.00 53.44 53.05 1uf2 n ALA 396 Cb 0.05 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.64 1.36 -4.09 0.00 7.99 -0.66 -4.56 117.00 116.39 1uf2 n LEU 397 Ca 0.06 -0.59 -0.21 0.00 -0.01 0.00 0.00 56.01 55.25 1uf2 n LEU 397 Cb 0.32 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.49 1uf2 n LEU 397 CO 0.27 0.29 -0.46 0.27 -1.51 0.00 0.00 177.39 176.25 1uf2 s ILE 398 N -2.78 1.01 0.71 -0.08 -4.36 -1.20 -4.85 121.20 109.65 1uf2 s ILE 398 Ca 0.12 -0.63 -0.11 0.00 -0.26 0.00 0.00 60.65 59.77 1uf2 s ILE 398 Cb 0.17 -0.86 0.02 0.00 1.25 0.00 0.00 42.46 43.03 1uf2 s ILE 398 CO 0.75 0.22 1.07 -2.16 0.24 0.00 0.00 174.94 175.07 1uf2 s PRO 399 N -0.46 2.81 0.25 0.37 0.04 -1.26 -3.24 135.00 133.52 1uf2 s PRO 399 Ca 0.04 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 1uf2 s PRO 399 Cb -0.05 -1.99 0.47 0.00 0.04 0.00 0.00 34.50 32.97 1uf2 s PRO 399 CO -0.00 -1.13 1.74 -1.35 0.04 0.00 0.00 177.00 176.30 1uf2 h PRO 400 N -0.73 0.48 -0.52 0.56 0.11 -1.86 -1.85 132.00 128.20 1uf2 h PRO 400 Ca -0.45 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.78 1uf2 h PRO 400 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1uf2 h PRO 400 CO 0.60 0.32 0.94 0.66 -0.21 0.00 0.00 178.00 180.31 1uf2 h SER 401 N 0.50 0.00 1.40 -2.05 4.64 -1.93 -0.57 113.55 115.53 1uf2 h SER 401 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1uf2 h SER 401 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1uf2 h SER 401 CO -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.57 1uf2 n ALA 402 N -1.99 2.25 -2.43 5.18 0.00 -0.69 -4.77 120.51 118.05 1uf2 n ALA 402 Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1uf2 n ALA 402 Cb 1.11 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 1uf2 n ALA 402 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uf2 s LEU 403 N -4.40 2.50 0.26 0.00 1.02 -0.22 0.29 118.68 118.13 1uf2 s LEU 403 Ca 0.11 -0.61 -0.31 0.00 0.02 0.00 0.00 54.13 53.34 1uf2 s LEU 403 Cb 0.13 -1.40 -0.12 0.00 0.02 0.00 0.00 46.19 44.81 1uf2 s LEU 403 CO 0.58 0.20 1.54 0.41 0.02 0.00 0.00 176.35 179.10 1uf2 n THR 404 N 1.07 0.89 0.12 5.49 -1.04 -1.25 -4.81 114.28 114.74 1uf2 n THR 404 Ca -0.17 -0.22 0.07 0.00 -2.04 0.00 0.00 64.05 61.69 1uf2 n THR 404 Cb 0.53 -1.78 0.37 0.00 -1.82 0.00 0.00 70.33 67.62 1uf2 n THR 404 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uf2 n ALA 405 N 2.24 1.06 0.03 2.41 0.00 -1.26 -1.12 120.51 123.87 1uf2 n ALA 405 Ca 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1uf2 n ALA 405 Cb 0.34 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1uf2 n ALA 405 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1uf2 h ARG 406 N 0.00 -0.12 -0.85 0.00 2.43 -1.97 -3.29 114.38 110.58 1uf2 h ARG 406 Ca 0.00 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 1uf2 h ARG 406 Cb 0.02 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 1uf2 h ARG 406 CO 0.00 -0.08 0.43 1.96 -1.51 0.00 0.00 179.97 180.77 1uf2 h GLN 407 N -0.45 0.59 -0.97 0.20 4.20 -1.78 -0.07 115.11 116.83 1uf2 h GLN 407 Ca -0.01 -0.04 0.21 0.00 0.06 0.00 0.00 58.65 58.87 1uf2 h GLN 407 Cb 0.10 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 27.66 1uf2 h GLN 407 CO 0.02 0.39 0.62 0.00 -0.67 0.00 0.00 178.83 179.20 1uf2 h ARG 408 N 0.61 0.52 -0.05 1.46 3.08 -1.27 0.22 114.38 118.94 1uf2 h ARG 408 Ca 0.46 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 1uf2 h ARG 408 Cb 0.66 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1uf2 h ARG 408 CO -0.37 0.34 -0.11 1.25 -1.07 0.00 0.00 179.97 180.02 1uf2 h LEU 409 N 0.53 0.19 -0.15 3.04 5.85 -1.09 -2.93 115.31 120.75 1uf2 h LEU 409 Ca 0.54 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1uf2 h LEU 409 Cb 1.15 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1uf2 h LEU 409 CO -0.27 0.72 -0.19 0.44 -0.34 0.00 0.00 178.44 178.80 1uf2 h ASP 410 N -0.33 -0.58 -0.70 1.25 3.32 -0.13 -1.65 116.42 117.60 1uf2 h ASP 410 Ca 0.00 0.10 0.13 0.00 0.02 0.00 0.00 57.03 57.29 1uf2 h ASP 410 Cb 0.68 0.27 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1uf2 h ASP 410 CO 0.02 -0.23 -0.28 0.40 -1.72 0.00 0.00 179.24 177.43 1uf2 h ILE 411 N -0.23 0.19 -0.88 0.35 2.04 -0.74 0.81 117.51 119.04 1uf2 h ILE 411 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1uf2 h ILE 411 Cb 0.38 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 1uf2 h ILE 411 CO -0.28 0.00 0.52 0.78 0.00 0.00 0.00 178.15 179.17 1uf2 h ASN 412 N -0.08 0.76 -0.04 1.72 4.21 -1.17 -1.02 115.58 119.95 1uf2 h ASN 412 Ca 0.30 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.85 1uf2 h ASN 412 Cb 0.56 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1uf2 h ASN 412 CO -0.75 0.42 -0.02 0.78 -1.29 0.00 0.00 177.43 176.57 1uf2 h ASN 413 N 0.86 0.09 -0.52 5.81 2.35 0.12 -1.15 115.58 123.13 1uf2 h ASN 413 Ca 0.43 -0.42 0.15 0.00 -0.55 0.00 0.00 56.30 55.92 1uf2 h ASN 413 Cb 0.40 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1uf2 h ASN 413 CO -0.25 0.49 0.39 0.03 -1.65 0.00 0.00 177.43 176.43 1uf2 h ARG 414 N -0.30 0.00 -0.02 0.81 2.47 0.71 0.16 114.38 118.20 1uf2 h ARG 414 Ca 0.01 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1uf2 h ARG 414 Cb 0.45 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1uf2 h ARG 414 CO 0.01 0.00 -0.32 0.35 0.56 0.00 0.00 179.97 180.57 1uf2 h PHE 415 N 0.00 0.35 -0.97 3.04 3.57 -0.97 -2.36 116.94 119.60 1uf2 h PHE 415 Ca 0.25 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1uf2 h PHE 415 Cb 1.02 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1uf2 h PHE 415 CO 0.00 0.96 0.64 0.00 -2.23 0.00 0.00 178.31 177.68 1uf2 h ALA 416 N 0.31 1.25 0.43 2.41 0.00 0.21 0.14 119.26 124.01 1uf2 h ALA 416 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1uf2 h ALA 416 Cb 1.04 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1uf2 h ALA 416 CO 0.06 0.59 -0.33 -0.92 0.00 0.00 0.00 179.25 178.65 1uf2 h TYR 417 N 1.29 -0.89 -0.84 0.00 3.20 -0.80 -0.30 116.97 118.63 1uf2 h TYR 417 Ca 0.37 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.40 1uf2 h TYR 417 Cb -0.10 0.33 -0.10 0.00 1.54 0.00 0.00 36.73 38.40 1uf2 h TYR 417 CO -0.00 -0.49 0.40 0.35 -1.64 0.00 0.00 178.16 176.78 1uf2 h PHE 418 N -0.76 0.69 0.58 -3.82 3.57 -0.80 0.43 116.94 116.85 1uf2 h PHE 418 Ca -0.04 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1uf2 h PHE 418 Cb 0.65 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.22 1uf2 h PHE 418 CO -0.15 0.10 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.68 1uf2 h LEU 419 N 0.54 -0.66 -1.10 0.59 3.38 -0.20 0.39 115.31 118.24 1uf2 h LEU 419 Ca 0.48 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.50 1uf2 h LEU 419 Cb 0.75 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1uf2 h LEU 419 CO -0.41 -0.36 0.61 0.40 0.09 0.00 0.00 178.44 178.77 1uf2 h ILE 420 N -0.96 1.03 -0.15 1.22 1.08 -0.44 0.53 117.51 119.82 1uf2 h ILE 420 Ca -0.08 -0.36 -0.12 0.00 -0.39 0.00 0.00 64.86 63.92 1uf2 h ILE 420 Cb 0.65 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1uf2 h ILE 420 CO 0.13 0.19 -0.36 0.50 -0.69 0.00 0.00 178.15 177.92 1uf2 h LYS 421 N 1.04 0.51 0.00 2.37 3.64 -0.07 -3.34 116.57 120.72 1uf2 h LYS 421 Ca 0.42 -0.35 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 1uf2 h LYS 421 Cb 0.28 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1uf2 h LYS 421 CO -0.18 0.97 -1.99 0.00 -2.27 0.00 0.00 179.45 175.98 1uf2 n HIS 423 N -2.49 0.34 -4.21 0.00 8.25 0.18 -0.86 115.22 116.44 1uf2 n HIS 423 Ca -0.22 -0.48 -0.35 0.00 -0.26 0.00 0.00 57.72 56.41 1uf2 n HIS 423 Cb 0.92 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.99 3.48 0.66 -1.41 0.00 -0.96 -4.75 121.76 117.78 1uf2 s ALA 424 Ca 0.17 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 1uf2 s ALA 424 Cb 0.09 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1uf2 s ALA 424 CO 0.12 0.62 1.20 0.99 0.00 0.00 0.00 175.76 178.69 1uf2 s THR 425 N -0.99 2.52 0.52 0.00 2.01 -1.26 -4.80 115.64 113.64 1uf2 s THR 425 Ca 0.16 0.28 0.17 0.00 0.31 0.00 0.00 61.69 62.61 1uf2 s THR 425 Cb -0.12 -2.95 0.29 0.00 0.01 0.00 0.00 72.50 69.73 1uf2 s THR 425 CO 0.06 -0.11 2.14 -0.61 -0.69 0.00 0.00 174.62 175.40 1uf2 h GLN 426 N 0.25 0.00 0.09 4.92 5.75 -1.98 -0.65 115.11 123.48 1uf2 h GLN 426 Ca -0.49 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 57.76 1uf2 h GLN 426 Cb 1.29 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.84 1uf2 h GLN 426 CO 0.52 0.00 -1.15 0.00 -2.65 0.00 0.00 178.83 175.56 1uf2 h ALA 427 N 1.97 0.19 -0.09 3.38 0.00 -2.00 -2.97 119.26 119.75 1uf2 h ALA 427 Ca 0.03 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 54.02 1uf2 h ALA 427 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1uf2 h ALA 427 CO -0.00 0.98 -0.19 1.15 0.00 0.00 0.00 179.25 181.19 1uf2 h THR 428 N 0.09 1.40 0.30 0.00 2.02 -1.63 -2.74 112.91 112.35 1uf2 h THR 428 Ca -0.11 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.58 1uf2 h THR 428 Cb 1.86 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 70.40 1uf2 h THR 428 CO 0.18 0.43 -0.46 0.74 0.37 0.00 0.00 175.52 176.78 1uf2 h THR 429 N -0.18 0.00 -0.91 3.16 2.02 -1.27 -2.33 112.91 113.40 1uf2 h THR 429 Ca 0.00 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.42 1uf2 h THR 429 Cb 0.78 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.06 1uf2 h THR 429 CO 0.04 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.33 1uf2 h ALA 430 N -0.85 1.50 -0.20 6.16 0.00 -1.59 -0.02 119.26 124.26 1uf2 h ALA 430 Ca -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1uf2 h ALA 430 Cb 0.74 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1uf2 h ALA 430 CO -0.15 -0.40 0.10 -0.09 0.00 0.00 0.00 179.25 178.71 1uf2 h ARG 431 N 0.36 0.29 0.11 0.00 2.43 -1.14 -1.33 114.38 115.11 1uf2 h ARG 431 Ca 0.59 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.72 1uf2 h ARG 431 Cb 1.17 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1uf2 h ARG 431 CO -0.56 0.32 -0.17 -0.07 -1.51 0.00 0.00 179.97 177.98 1uf2 h LEU 432 N 0.20 -0.46 -0.71 3.80 3.38 -0.53 -1.35 115.31 119.64 1uf2 h LEU 432 Ca 0.07 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1uf2 h LEU 432 Cb 0.12 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1uf2 h LEU 432 CO -0.01 -0.24 0.29 0.58 0.09 0.00 0.00 178.44 179.15 1uf2 h VAL 433 N -0.34 0.72 -0.68 1.22 2.07 -1.10 -1.14 116.25 117.00 1uf2 h VAL 433 Ca 0.02 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1uf2 h VAL 433 Cb 0.35 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1uf2 h VAL 433 CO -0.08 0.08 0.31 0.00 0.02 0.00 0.00 177.57 177.90 1uf2 h ALA 434 N 1.49 1.26 -0.29 1.67 0.00 -0.73 -2.01 119.26 120.66 1uf2 h ALA 434 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uf2 h ALA 434 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uf2 h ALA 434 CO -0.36 0.56 0.00 0.09 0.00 0.00 0.00 179.25 179.54 1uf2 n ASN 435 N -4.33 1.57 -3.85 0.00 3.02 -0.52 -4.92 115.26 106.24 1uf2 n ASN 435 Ca 0.06 -1.98 -0.29 0.00 -0.03 0.00 0.00 54.58 52.34 1uf2 n ASN 435 Cb 0.15 -0.19 0.03 0.00 -0.61 0.00 0.00 39.78 39.16 1uf2 n ASN 435 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uf2 n GLN 436 N 0.36 -5.83 -0.11 3.52 6.02 -0.67 -4.88 117.38 115.79 1uf2 n GLN 436 Ca 0.10 0.63 -0.23 0.00 -0.01 0.00 0.00 57.00 57.50 1uf2 n GLN 436 Cb 0.25 -5.52 -0.11 0.00 1.02 0.00 0.00 30.24 25.88 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 -4.70 1.54 -4.38 5.09 0.31 -0.86 -4.97 118.33 110.37 1uf2 n VAL 437 Ca 0.01 -0.08 -0.24 0.00 -0.01 0.00 0.00 64.34 64.02 1uf2 n VAL 437 Cb 0.54 -2.02 -0.11 0.00 -0.91 0.00 0.00 33.84 31.34 1uf2 n VAL 437 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1uf2 s ILE 438 N -2.38 2.08 0.10 2.52 1.10 -1.25 -4.92 121.20 118.46 1uf2 s ILE 438 Ca -0.30 -2.01 -0.03 0.00 -0.51 0.00 0.00 60.65 57.80 1uf2 s ILE 438 Cb 0.07 -1.99 -0.05 0.00 0.15 0.00 0.00 42.46 40.64 1uf2 s ILE 438 CO 0.58 -0.25 0.31 -0.31 -2.11 0.00 0.00 174.94 173.17 1uf2 s TYR 439 N -1.94 3.50 0.70 3.50 1.51 -1.26 -3.97 117.35 119.38 1uf2 s TYR 439 Ca 0.19 0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 56.53 1uf2 s TYR 439 Cb -0.06 -1.92 -0.06 0.00 -0.11 0.00 0.00 41.96 39.81 1uf2 s TYR 439 CO 0.09 0.51 0.39 -2.30 -1.11 0.00 0.00 175.55 173.12 1uf2 n PRO 440 N 0.26 0.27 0.21 -1.71 -0.02 -1.26 -4.88 135.00 127.88 1uf2 n PRO 440 Ca -0.04 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.63 1uf2 n PRO 440 Cb 0.52 -1.68 0.45 0.00 -0.02 0.00 0.00 33.50 32.76 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 -0.31 0.87 0.00 -1.45 2.07 -1.98 -2.88 116.25 112.57 1uf2 h VAL 441 Ca -0.45 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1uf2 h VAL 441 Cb 1.36 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1uf2 h VAL 441 CO 0.42 0.29 0.00 -0.90 0.02 0.00 0.00 177.57 177.40 1uf2 n ASP 442 N -3.69 0.00 -1.86 0.57 3.85 -1.26 -3.88 116.55 110.27 1uf2 n ASP 442 Ca -0.01 0.37 -0.09 0.00 -0.71 0.00 0.00 54.79 54.35 1uf2 n ASP 442 Cb 0.41 -0.45 -0.12 0.00 -1.35 0.00 0.00 41.12 39.61 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 -1.45 5.70 -0.37 2.12 0.00 -1.09 -4.66 120.51 120.76 1uf2 n ALA 443 Ca 0.07 -1.32 0.31 0.00 0.00 0.00 0.00 53.44 52.50 1uf2 n ALA 443 Cb 0.26 -1.94 0.51 0.00 0.00 0.00 0.00 19.45 18.28 1uf2 n ALA 443 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1uf2 n ILE 444 N 2.19 -0.15 0.07 0.00 3.06 -1.25 0.18 119.36 123.46 1uf2 n ILE 444 Ca 0.31 1.26 -0.06 0.00 -2.50 0.00 0.00 62.75 61.76 1uf2 n ILE 444 Cb 0.80 -2.07 -0.10 0.00 0.54 0.00 0.00 39.64 38.80 1uf2 n ILE 444 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 1uf2 h ASP 445 N 0.00 0.00 0.46 9.51 2.03 -1.94 -3.28 116.42 123.21 1uf2 h ASP 445 Ca 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.94 1uf2 h ASP 445 Cb 2.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.67 1uf2 h ASP 445 CO -0.28 0.93 0.00 0.00 -1.03 0.00 0.00 179.24 178.86 1uf2 n GLN 446 N -3.31 0.43 -0.01 4.15 1.13 0.47 -3.23 117.38 117.00 1uf2 n GLN 446 Ca -0.01 0.03 0.11 0.00 -1.94 0.00 0.00 57.00 55.19 1uf2 n GLN 446 Cb 0.92 -1.50 -0.17 0.00 0.11 0.00 0.00 30.24 29.60 1uf2 n GLN 446 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1uf2 n TRP 447 N -1.26 0.01 -1.62 1.08 7.02 -1.18 -4.93 117.44 116.56 1uf2 n TRP 447 Ca 0.13 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.19 1uf2 n TRP 447 Cb 0.20 -0.49 -0.01 0.00 -2.42 0.00 0.00 31.31 28.60 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 -2.24 1.55 -1.87 -0.99 1.13 -1.20 -4.83 117.38 108.93 1uf2 n GLN 448 Ca -0.04 0.55 -0.38 0.00 -1.94 0.00 0.00 57.00 55.19 1uf2 n GLN 448 Cb 0.56 -2.02 0.03 0.00 0.11 0.00 0.00 30.24 28.92 1uf2 n GLN 448 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1uf2 s SER 449 N -0.55 5.54 -0.28 1.08 0.01 -1.26 -5.05 113.70 113.20 1uf2 s SER 449 Ca 0.59 2.71 -0.16 0.00 1.31 0.00 0.00 55.95 60.40 1uf2 s SER 449 Cb -0.62 -2.63 0.11 0.00 0.21 0.00 0.00 66.02 63.09 1uf2 s SER 449 CO 0.60 -1.38 0.84 0.54 0.41 0.00 0.00 173.24 174.25 1uf2 s ASN 450 N -0.94 -0.72 0.00 2.44 2.20 -1.26 -5.06 114.94 111.59 1uf2 s ASN 450 Ca 0.68 1.15 0.00 0.00 -0.94 0.00 0.00 52.86 53.75 1uf2 s ASN 450 Cb -0.39 1.30 0.00 0.00 -2.00 0.00 0.00 41.25 40.16 1uf2 s ASN 450 CO 0.47 -0.18 0.00 0.61 -2.94 0.00 0.00 177.10 175.06 1uf2 n GLY 451 N 4.00 0.00 3.68 0.45 0.00 -1.26 -4.71 105.19 107.36 1uf2 n GLY 451 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1uf2 n GLY 451 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uf2 n ARG 452 N 0.00 2.05 -3.22 1.61 1.85 -1.26 -4.94 116.66 112.76 1uf2 n ARG 452 Ca 0.00 0.72 -0.45 0.00 -1.00 0.00 0.00 57.85 57.12 1uf2 n ARG 452 Cb 0.00 -2.32 -0.01 0.00 -1.05 0.00 0.00 32.46 29.08 1uf2 n ARG 452 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1uf2 s ASP 453 N -0.11 7.06 0.24 2.89 -1.08 -1.26 -4.92 116.67 119.49 1uf2 s ASP 453 Ca 0.60 -3.09 -0.08 0.00 -0.52 0.00 0.00 52.55 49.46 1uf2 s ASP 453 Cb -0.60 -2.27 0.41 0.00 -1.46 0.00 0.00 42.92 39.00 1uf2 s ASP 453 CO 0.58 -0.53 1.63 0.58 0.52 0.00 0.00 175.17 177.95 1uf2 h VAL 454 N 4.36 0.34 -0.46 1.11 2.07 -1.92 -1.47 116.25 120.29 1uf2 h VAL 454 Ca 0.18 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.77 1uf2 h VAL 454 Cb 0.93 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 1uf2 h VAL 454 CO 1.00 0.02 -0.25 0.25 0.02 0.00 0.00 177.57 178.60 1uf2 h LEU 455 N 0.09 -0.87 -1.44 2.57 5.85 -1.90 0.39 115.31 119.99 1uf2 h LEU 455 Ca 0.40 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.45 1uf2 h LEU 455 Cb 0.69 0.45 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 1uf2 h LEU 455 CO -0.67 -0.27 0.54 0.58 -0.34 0.00 0.00 178.44 178.28 1uf2 h VAL 456 N -0.16 0.80 -0.12 1.05 2.07 -1.65 -0.17 116.25 118.08 1uf2 h VAL 456 Ca 0.21 -0.18 -0.21 0.00 0.82 0.00 0.00 66.70 67.34 1uf2 h VAL 456 Cb 0.49 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1uf2 h VAL 456 CO -0.55 0.10 -0.73 0.00 0.02 0.00 0.00 177.57 176.40 1uf2 h ALA 457 N 1.62 0.25 0.61 1.67 0.00 -0.17 -0.23 119.26 123.02 1uf2 h ALA 457 Ca 0.41 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1uf2 h ALA 457 Cb 0.83 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1uf2 h ALA 457 CO -0.16 0.60 -0.41 0.82 0.00 0.00 0.00 179.25 180.10 1uf2 h ILE 458 N 0.41 0.18 -0.81 0.00 1.08 0.41 -1.65 117.51 117.12 1uf2 h ILE 458 Ca -0.06 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.59 1uf2 h ILE 458 Cb 1.37 0.18 -0.11 0.00 -3.07 0.00 0.00 36.82 35.19 1uf2 h ILE 458 CO 0.15 0.00 0.31 0.22 -0.69 0.00 0.00 178.15 178.14 1uf2 h TYR 459 N -0.97 0.51 0.00 1.37 -0.00 -1.10 0.13 116.97 116.90 1uf2 h TYR 459 Ca -0.07 0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.68 1uf2 h TYR 459 Cb 0.80 -0.10 -0.00 0.00 -0.00 0.00 0.00 36.73 37.43 1uf2 h TYR 459 CO -0.13 -0.02 -0.07 -0.97 -0.00 0.00 0.00 178.16 176.97 1uf2 h ASN 460 N 0.38 0.00 -0.22 -2.11 -0.73 -0.54 -3.10 115.58 109.27 1uf2 h ASN 460 Ca 0.48 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.63 1uf2 h ASN 460 Cb 0.83 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.41 1uf2 h ASN 460 CO -0.49 0.07 -0.01 0.59 -0.37 0.00 0.00 177.43 177.23 1uf2 n ASN 461 N -3.29 3.49 -4.86 1.15 3.02 0.40 -5.03 115.26 110.14 1uf2 n ASN 461 Ca -0.01 -3.10 -0.31 0.00 -0.03 0.00 0.00 54.58 51.14 1uf2 n ASN 461 Cb 0.27 -0.53 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 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 -2.88 3.11 0.09 3.41 1.43 -0.91 -5.03 118.68 117.91 1uf2 s LEU 462 Ca 0.41 1.40 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 1uf2 s LEU 462 Cb 0.34 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1uf2 s LEU 462 CO 0.07 -1.15 -0.02 -0.76 0.23 0.00 0.00 176.35 174.72 1uf2 s LEU 463 N -5.33 3.37 0.28 1.79 1.43 -1.26 -5.03 118.68 113.93 1uf2 s LEU 463 Ca 0.57 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1uf2 s LEU 463 Cb -0.12 -2.11 0.63 0.00 0.03 0.00 0.00 46.19 44.62 1uf2 s LEU 463 CO 0.54 0.18 1.61 -0.65 0.23 0.00 0.00 176.35 178.25 1uf2 h PRO 464 N 3.50 0.08 0.00 1.29 0.11 -2.03 -1.09 132.00 133.86 1uf2 h PRO 464 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uf2 h PRO 464 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1uf2 h PRO 464 CO 0.58 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1uf2 n GLY 465 N -1.45 -1.20 1.79 -0.55 0.00 -1.26 -3.90 105.19 98.62 1uf2 n GLY 465 Ca 0.19 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 1uf2 n GLY 465 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uf2 n GLU 466 N -2.02 1.54 -0.28 1.61 1.02 -0.42 -4.72 120.64 117.37 1uf2 n GLU 466 Ca 0.03 -0.77 0.02 0.00 -0.02 0.00 0.00 57.16 56.42 1uf2 n GLU 466 Cb 0.22 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.24 1uf2 n GLU 466 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1uf2 n LEU 467 N 1.47 -0.36 -0.27 -4.62 4.77 -1.25 -1.89 117.00 114.84 1uf2 n LEU 467 Ca 0.21 1.32 -0.07 0.00 -0.03 0.00 0.00 56.01 57.44 1uf2 n LEU 467 Cb 0.63 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1uf2 n LEU 467 CO 0.13 -1.24 0.56 0.58 -1.33 0.00 0.00 177.39 176.10 1uf2 h VAL 468 N 0.00 0.06 0.18 4.08 2.07 -1.96 -1.66 116.25 119.02 1uf2 h VAL 468 Ca 0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1uf2 h VAL 468 Cb 0.52 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1uf2 h VAL 468 CO -0.78 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 176.66 1uf2 h LEU 469 N -0.15 -0.21 -1.86 2.57 3.38 -1.67 -3.01 115.31 114.36 1uf2 h LEU 469 Ca 0.21 -0.28 0.40 0.00 0.09 0.00 0.00 57.88 58.30 1uf2 h LEU 469 Cb 0.55 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1uf2 h LEU 469 CO -0.79 0.21 0.97 0.74 0.09 0.00 0.00 178.44 179.67 1uf2 h THR 470 N -0.67 0.29 0.08 0.22 2.02 -1.25 -0.40 112.91 113.21 1uf2 h THR 470 Ca -0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1uf2 h THR 470 Cb 0.48 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1uf2 h THR 470 CO 0.04 0.01 -0.04 -1.13 0.37 0.00 0.00 175.52 174.77 1uf2 h ASN 471 N 0.05 -0.10 -0.82 4.18 -1.24 -1.24 -2.22 115.58 114.20 1uf2 h ASN 471 Ca 0.69 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.78 1uf2 h ASN 471 Cb 2.59 0.02 -0.10 0.00 0.73 0.00 0.00 38.32 41.57 1uf2 h ASN 471 CO -0.09 -0.01 -0.48 0.18 -1.29 0.00 0.00 177.43 175.75 1uf2 n LEU 472 N -2.66 -0.86 0.37 0.34 7.99 -0.38 -0.20 117.00 121.60 1uf2 n LEU 472 Ca -0.01 1.47 -0.18 0.00 -0.01 0.00 0.00 56.01 57.27 1uf2 n LEU 472 Cb 0.04 -0.20 -0.09 0.00 -0.11 0.00 0.00 43.42 43.07 1uf2 n LEU 472 CO 0.03 -1.20 0.65 0.40 -1.51 0.00 0.00 177.39 175.76 1uf2 h ILE 473 N 0.00 0.33 -0.88 -0.08 2.04 -1.26 -0.62 117.51 117.03 1uf2 h ILE 473 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 1uf2 h ILE 473 Cb 0.34 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 1uf2 h ILE 473 CO -0.78 0.00 0.53 -0.61 0.00 0.00 0.00 178.15 177.29 1uf2 h GLN 474 N -0.92 0.85 -0.33 2.37 4.15 -0.69 0.10 115.11 120.66 1uf2 h GLN 474 Ca -0.09 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1uf2 h GLN 474 Cb 0.70 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1uf2 h GLN 474 CO 0.15 0.57 0.10 1.15 -1.93 0.00 0.00 178.83 178.86 1uf2 h THR 475 N 0.88 1.21 -0.61 2.39 2.02 -0.48 -0.84 112.91 117.49 1uf2 h THR 475 Ca 0.42 -0.69 0.09 0.00 0.77 0.00 0.00 66.41 67.00 1uf2 h THR 475 Cb 0.36 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 1uf2 h THR 475 CO -0.24 0.24 0.25 0.22 0.37 0.00 0.00 175.52 176.35 1uf2 h TYR 476 N 0.38 0.43 -0.17 3.16 3.20 0.29 -0.48 116.97 123.77 1uf2 h TYR 476 Ca 0.11 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 1uf2 h TYR 476 Cb 0.27 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1uf2 h TYR 476 CO 0.01 0.13 0.08 1.19 -1.64 0.00 0.00 178.16 177.93 1uf2 n PHE 477 N -4.96 0.56 -4.43 -3.82 0.99 0.23 -4.14 117.46 101.88 1uf2 n PHE 477 Ca 0.08 -0.52 -0.38 0.00 -0.00 0.00 0.00 57.45 56.64 1uf2 n PHE 477 Cb 0.26 -0.31 -0.08 0.00 -1.00 0.00 0.00 39.48 38.34 1uf2 n PHE 477 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1uf2 n ARG 478 N 0.15 -1.01 0.00 -1.08 5.12 -0.19 -1.43 116.66 118.21 1uf2 n ARG 478 Ca 0.10 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 1uf2 n ARG 478 Cb 0.62 -4.31 0.00 0.00 -1.16 0.00 0.00 32.46 27.61 1uf2 n ARG 478 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uf2 n GLY 479 N -1.68 2.32 3.76 -0.13 0.00 -0.37 -5.03 105.19 104.07 1uf2 n GLY 479 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1uf2 n GLY 479 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uf2 s ASN 480 N -2.59 5.58 0.74 1.61 -0.87 -0.52 -4.99 114.94 113.91 1uf2 s ASN 480 Ca 0.00 2.32 -0.11 0.00 -1.57 0.00 0.00 52.86 53.50 1uf2 s ASN 480 Cb 0.00 -2.60 0.03 0.00 -0.02 0.00 0.00 41.25 38.67 1uf2 s ASN 480 CO 0.00 -1.32 1.09 0.42 -2.57 0.00 0.00 177.10 174.72 1uf2 s THR 481 N -1.63 3.40 0.23 1.60 -4.23 -1.26 -4.77 115.64 108.98 1uf2 s THR 481 Ca 0.73 0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 61.63 1uf2 s THR 481 Cb -0.28 -3.33 0.19 0.00 1.34 0.00 0.00 72.50 70.42 1uf2 s THR 481 CO 0.32 -0.60 1.83 0.00 -0.54 0.00 0.00 174.62 175.64 1uf2 h ALA 482 N -0.83 1.10 0.00 3.99 0.00 -1.94 0.67 119.26 122.25 1uf2 h ALA 482 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1uf2 h ALA 482 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1uf2 h ALA 482 CO 0.61 0.18 0.00 1.96 0.00 0.00 0.00 179.25 182.00 1uf2 h GLN 483 N 0.86 0.00 0.04 0.00 7.50 -1.95 -2.64 115.11 118.92 1uf2 h GLN 483 Ca 0.36 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.44 1uf2 h GLN 483 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.75 1uf2 h GLN 483 CO -0.19 0.00 -0.31 1.96 -1.50 0.00 0.00 178.83 178.79 1uf2 h GLN 484 N 0.00 0.08 -0.28 1.46 4.20 -1.39 -3.27 115.11 115.91 1uf2 h GLN 484 Ca 0.00 -0.14 0.08 0.00 0.06 0.00 0.00 58.65 58.65 1uf2 h GLN 484 Cb 0.52 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1uf2 h GLN 484 CO 0.00 1.07 0.29 0.00 -0.67 0.00 0.00 178.83 179.52 1uf2 h ALA 485 N -0.01 1.96 -0.18 3.87 0.00 -0.79 0.11 119.26 124.22 1uf2 h ALA 485 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1uf2 h ALA 485 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1uf2 h ALA 485 CO 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.84 1uf2 n ALA 486 N -2.36 2.52 -1.77 0.00 0.00 -1.01 -0.56 120.51 117.34 1uf2 n ALA 486 Ca 0.04 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.55 1uf2 n ALA 486 Cb 0.44 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.78 4.35 -0.32 0.00 2.12 0.37 -4.83 118.70 118.60 1uf2 s GLU 487 Ca 0.32 2.07 -0.17 0.00 0.36 0.00 0.00 54.97 57.54 1uf2 s GLU 487 Cb 0.17 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.53 1uf2 s GLU 487 CO 0.26 -0.14 0.48 0.42 -0.54 0.00 0.00 175.26 175.74 1uf2 s ILE 488 N -1.19 5.06 -0.08 -3.70 1.09 -1.26 -1.35 121.20 119.76 1uf2 s ILE 488 Ca 0.50 0.43 -0.18 0.00 -1.10 0.00 0.00 60.65 60.29 1uf2 s ILE 488 Cb -0.37 -3.90 -0.29 0.00 -1.06 0.00 0.00 42.46 36.85 1uf2 s ILE 488 CO 0.48 -0.11 0.68 -0.07 -0.10 0.00 0.00 174.94 175.82 1uf2 h LEU 489 N 8.95 0.41 -7.58 2.97 3.38 0.02 -3.45 115.31 120.00 1uf2 h LEU 489 Ca -0.29 -0.88 -0.44 0.00 0.09 0.00 0.00 57.88 56.36 1uf2 h LEU 489 Cb 1.13 -0.13 -0.37 0.00 0.09 0.00 0.00 40.66 41.38 1uf2 h LEU 489 CO 0.74 1.53 -0.77 -0.63 0.09 0.00 0.00 178.44 179.40 1uf2 s ILE 490 N -2.46 0.52 0.31 1.22 1.01 -1.03 -4.99 121.20 115.78 1uf2 s ILE 490 Ca -0.18 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 1uf2 s ILE 490 Cb 0.03 -0.62 -0.10 0.00 0.01 0.00 0.00 42.46 41.78 1uf2 s ILE 490 CO 0.79 0.27 1.31 -2.84 0.00 0.00 0.00 174.94 174.47 1uf2 s PRO 491 N 1.66 4.36 0.23 2.79 0.02 -1.26 -1.02 135.00 141.78 1uf2 s PRO 491 Ca 0.01 2.19 -0.10 0.00 0.02 0.00 0.00 61.00 63.13 1uf2 s PRO 491 Cb -0.13 -3.09 0.35 0.00 0.02 0.00 0.00 34.50 31.65 1uf2 s PRO 491 CO -0.04 -0.20 1.65 0.00 -0.33 0.00 0.00 177.00 178.08 1uf2 h ALA 492 N 3.72 0.66 0.00 -1.55 0.00 -1.91 0.12 119.26 120.30 1uf2 h ALA 492 Ca -0.48 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uf2 h ALA 492 Cb 1.22 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1uf2 h ALA 492 CO 0.68 -0.41 0.01 -0.40 0.00 0.00 0.00 179.25 179.13 1uf2 n ASP 493 N -5.33 0.00 -0.26 0.00 5.75 -1.26 -0.56 116.55 114.89 1uf2 n ASP 493 Ca 0.11 0.03 0.09 0.00 -0.01 0.00 0.00 54.79 55.00 1uf2 n ASP 493 Cb 0.40 -0.03 0.16 0.00 -1.03 0.00 0.00 41.12 40.63 1uf2 n ASP 493 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uf2 n GLN 494 N -0.88 1.48 -4.20 0.11 6.02 0.42 -4.99 117.38 115.34 1uf2 n GLN 494 Ca 0.00 -2.75 -0.16 0.00 -0.01 0.00 0.00 57.00 54.07 1uf2 n GLN 494 Cb 0.01 -1.56 -0.13 0.00 1.02 0.00 0.00 30.24 29.58 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 -2.95 0.63 -1.06 5.09 -4.23 0.28 -3.92 115.64 109.48 1uf2 s THR 495 Ca 0.34 -0.65 0.09 0.00 -1.18 0.00 0.00 61.69 60.29 1uf2 s THR 495 Cb 0.31 -0.59 0.09 0.00 1.34 0.00 0.00 72.50 73.64 1uf2 s THR 495 CO 0.02 -0.04 1.27 -1.54 -0.54 0.00 0.00 174.62 173.79 1uf2 n SER 496 N 2.29 0.00 -0.93 3.99 3.41 -1.17 -2.64 113.62 118.58 1uf2 n SER 496 Ca -0.17 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1uf2 n SER 496 Cb 0.56 -0.47 0.26 0.00 -0.26 0.00 0.00 64.21 64.31 1uf2 n SER 496 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uf2 n TYR 497 N -1.47 0.98 -4.09 7.33 0.18 -1.26 -4.73 117.16 114.09 1uf2 n TYR 497 Ca 0.02 -0.86 -0.32 0.00 1.88 0.00 0.00 57.90 58.62 1uf2 n TYR 497 Cb 0.10 -0.32 -0.06 0.00 -0.38 0.00 0.00 39.34 38.69 1uf2 n TYR 497 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1uf2 n GLY 498 N -0.44 -0.30 3.29 -7.48 0.00 -1.08 -4.97 105.19 94.21 1uf2 n GLY 498 Ca 0.21 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 1uf2 n GLY 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf2 s ALA 499 N -4.07 -1.09 0.56 4.61 0.00 -1.26 -4.95 121.76 115.56 1uf2 s ALA 499 Ca 0.13 1.58 -0.20 0.00 0.00 0.00 0.00 51.96 53.47 1uf2 s ALA 499 Cb -0.08 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.02 1uf2 s ALA 499 CO 0.88 -0.29 0.97 0.09 0.00 0.00 0.00 175.76 177.41 1uf2 n ASN 500 N 4.30 0.88 -4.15 0.00 3.02 -1.26 -4.27 115.26 113.78 1uf2 n ASN 500 Ca -0.23 0.86 -0.39 0.00 -0.03 0.00 0.00 54.58 54.79 1uf2 n ASN 500 Cb 0.55 -1.38 -0.09 0.00 -0.61 0.00 0.00 39.78 38.25 1uf2 n ASN 500 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1uf2 s GLU 501 N -2.58 2.51 0.59 3.52 0.41 -0.19 -4.89 118.70 118.08 1uf2 s GLU 501 Ca 0.72 -2.16 -0.06 0.00 -0.41 0.00 0.00 54.97 53.06 1uf2 s GLU 501 Cb -0.44 -3.82 0.00 0.00 -1.78 0.00 0.00 34.13 28.09 1uf2 s GLU 501 CO 0.50 -1.17 0.90 0.95 -0.49 0.00 0.00 175.26 175.95 1uf2 s THR 502 N 0.60 3.80 0.24 3.63 -4.23 -1.26 0.74 115.64 119.17 1uf2 s THR 502 Ca 0.12 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.73 1uf2 s THR 502 Cb -0.21 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1uf2 s THR 502 CO -0.03 -0.54 1.59 -0.09 -0.54 0.00 0.00 174.62 175.01 1uf2 h ARG 503 N -0.17 0.39 0.00 3.99 2.43 -1.19 -2.00 114.38 117.83 1uf2 h ARG 503 Ca -0.45 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 1uf2 h ARG 503 Cb 1.25 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1uf2 h ARG 503 CO 0.61 0.80 0.00 0.00 -1.51 0.00 0.00 179.97 179.87 1uf2 h ALA 504 N 1.17 1.00 -0.17 2.80 0.00 -1.10 0.30 119.26 123.25 1uf2 h ALA 504 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uf2 h ALA 504 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 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 -3.05 1.86 0.00 0.00 4.77 -0.75 -4.25 117.00 115.57 1uf2 n LEU 505 Ca -0.02 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1uf2 n LEU 505 Cb 0.13 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1uf2 n LEU 505 CO 0.22 0.38 -0.38 -1.20 -1.33 0.00 0.00 177.39 175.08 1uf2 n SER 506 N 0.45 1.74 -0.33 -1.43 7.64 0.32 -4.86 113.62 117.15 1uf2 n SER 506 Ca 0.17 0.00 0.25 0.00 1.01 0.00 0.00 58.87 60.30 1uf2 n SER 506 Cb 0.36 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 64.04 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 1.81 0.00 -0.43 0.00 -0.73 0.54 119.26 120.45 1uf2 h ALA 507 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1uf2 h ALA 507 Cb 0.76 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1uf2 h ALA 507 CO 0.00 -0.78 0.00 -1.00 0.00 0.00 0.00 179.25 177.47 1uf2 h PRO 508 N 0.05 0.00 -5.49 0.00 0.13 -1.78 -3.35 132.00 121.55 1uf2 h PRO 508 Ca 0.75 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 65.29 1uf2 h PRO 508 Cb 1.83 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.86 1uf2 h PRO 508 CO -0.79 0.00 -0.32 0.71 -0.23 0.00 0.00 178.00 177.37 1uf2 s TYR 509 N -3.39 3.45 0.00 1.56 1.51 0.18 -4.71 117.35 115.95 1uf2 s TYR 509 Ca 0.04 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.70 1uf2 s TYR 509 Cb 0.09 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 1uf2 s TYR 509 CO 0.50 0.22 0.00 -0.11 -1.11 0.00 0.00 175.55 175.05 1uf2 n LEU 510 N 3.64 0.00 0.00 -1.29 7.94 -0.05 -1.40 117.00 125.84 1uf2 n LEU 510 Ca -0.11 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 54.91 1uf2 n LEU 510 Cb 0.52 0.00 0.67 0.00 0.53 0.00 0.00 43.42 45.14 1uf2 n LEU 510 CO 0.40 0.00 0.94 0.49 -1.11 0.00 0.00 177.39 178.11 1uf2 n PHE 511 N 13.67 0.00 -1.82 1.96 3.01 -1.26 -4.87 117.46 128.15 1uf2 n PHE 511 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1uf2 n PHE 511 Cb 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1uf2 n PHE 511 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uf2 n GLY 512 N 0.89 0.49 3.93 1.37 0.00 -0.50 -5.05 105.19 106.32 1uf2 n GLY 512 Ca 0.13 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 3.79 0.42 4.61 0.00 -1.26 -4.34 121.76 122.99 1uf2 s ALA 513 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 1uf2 s ALA 513 Cb 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.99 1uf2 s ALA 513 CO 0.00 0.34 1.39 -1.25 0.00 0.00 0.00 175.76 176.25 1uf2 s PRO 514 N -3.50 3.85 0.35 0.00 0.04 -1.26 -4.53 135.00 129.95 1uf2 s PRO 514 Ca 0.39 2.35 0.13 0.00 0.04 0.00 0.00 61.00 63.91 1uf2 s PRO 514 Cb -0.11 -2.74 0.95 0.00 0.04 0.00 0.00 34.50 32.64 1uf2 s PRO 514 CO 0.30 -0.66 1.76 0.82 0.04 0.00 0.00 177.00 179.25 1uf2 h ILE 515 N 2.47 0.56 0.00 0.56 2.04 -1.92 -1.18 117.51 120.04 1uf2 h ILE 515 Ca -0.50 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.06 1uf2 h ILE 515 Cb 1.25 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1uf2 h ILE 515 CO 0.62 0.10 -0.56 -0.55 0.00 0.00 0.00 178.15 177.76 1uf2 h ASN 516 N 0.53 0.00 -1.60 1.72 7.08 -1.91 -3.31 115.58 118.09 1uf2 h ASN 516 Ca 0.61 0.00 -0.64 0.00 -3.08 0.00 0.00 56.30 53.19 1uf2 h ASN 516 Cb 1.28 0.00 -0.37 0.00 -2.08 0.00 0.00 38.32 37.15 1uf2 h ASN 516 CO -0.38 0.56 -0.16 0.23 -2.08 0.00 0.00 177.43 175.60 1uf2 n MET 517 N -3.74 3.22 -1.88 4.14 2.81 -0.45 -4.52 117.12 116.68 1uf2 n MET 517 Ca -0.01 -4.16 -0.41 0.00 -1.81 0.00 0.00 57.70 51.31 1uf2 n MET 517 Cb 0.59 -2.26 -0.01 0.00 -0.71 0.00 0.00 33.22 30.83 1uf2 n MET 517 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1uf2 s LEU 518 N -3.71 4.35 -0.07 4.03 1.43 -1.17 -4.63 118.68 118.91 1uf2 s LEU 518 Ca 0.50 2.93 -0.30 0.00 -1.03 0.00 0.00 54.13 56.23 1uf2 s LEU 518 Cb 0.42 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1uf2 s LEU 518 CO -0.24 -0.79 1.37 0.00 0.23 0.00 0.00 176.35 176.92 1uf2 s ALA 519 N -0.92 3.60 0.50 4.21 0.00 -1.26 -4.96 121.76 122.93 1uf2 s ALA 519 Ca 0.54 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 1uf2 s ALA 519 Cb -0.45 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 18.97 1uf2 s ALA 519 CO 0.58 -1.06 0.97 -1.25 0.00 0.00 0.00 175.76 175.00 1uf2 s PRO 520 N 3.01 3.98 -1.12 0.00 0.04 -1.26 -1.44 135.00 138.21 1uf2 s PRO 520 Ca 0.61 0.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.52 1uf2 s PRO 520 Cb -0.28 -2.15 0.28 0.00 0.04 0.00 0.00 34.50 32.39 1uf2 s PRO 520 CO 0.23 -0.23 1.12 0.34 0.04 0.00 0.00 177.00 178.50 1uf2 s ASP 521 N -2.97 7.32 -0.00 6.66 3.68 -0.52 -4.56 116.67 126.28 1uf2 s ASP 521 Ca 0.59 -3.58 0.00 0.00 2.13 0.00 0.00 52.55 51.69 1uf2 s ASP 521 Cb -0.10 -2.22 0.02 0.00 -1.45 0.00 0.00 42.92 39.17 1uf2 s ASP 521 CO 0.29 -0.30 0.95 0.00 0.13 0.00 0.00 175.17 176.24 1uf2 n ALA 522 N 2.79 2.50 -0.28 3.66 0.00 -1.26 -4.41 120.51 123.51 1uf2 n ALA 522 Ca 0.24 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1uf2 n ALA 522 Cb 0.39 -1.00 0.20 0.00 0.00 0.00 0.00 19.45 19.04 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 0.10 0.09 -0.63 0.00 3.08 -1.93 0.22 114.38 115.31 1uf2 h ARG 523 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1uf2 h ARG 523 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1uf2 h ARG 523 CO 0.00 0.06 0.00 1.28 -1.07 0.00 0.00 179.97 180.24 1uf2 n LEU 524 N -5.37 3.90 -0.08 3.04 4.77 -1.26 -4.67 117.00 117.33 1uf2 n LEU 524 Ca 0.16 -1.97 -0.04 0.00 -0.03 0.00 0.00 56.01 54.14 1uf2 n LEU 524 Cb 0.55 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1uf2 n LEU 524 CO 0.02 0.67 0.50 -1.28 -1.33 0.00 0.00 177.39 175.97 1uf2 h SER 525 N 3.30 -0.63 -0.91 -1.43 0.87 -0.86 -2.25 113.55 111.63 1uf2 h SER 525 Ca 0.00 0.09 0.24 0.00 -1.23 0.00 0.00 61.79 60.89 1uf2 h SER 525 Cb 1.20 0.27 -0.13 0.00 -0.44 0.00 0.00 62.40 63.30 1uf2 h SER 525 CO 0.18 -0.11 0.39 0.74 -0.53 0.00 0.00 176.83 177.50 1uf2 h THR 526 N -0.08 0.42 -0.56 2.23 2.02 -1.83 -0.46 112.91 114.66 1uf2 h THR 526 Ca 0.03 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1uf2 h THR 526 Cb 0.17 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1uf2 h THR 526 CO -0.23 0.06 0.17 0.22 0.37 0.00 0.00 175.52 176.11 1uf2 h TYR 527 N 0.35 0.90 0.41 3.16 3.20 -1.79 -2.47 116.97 120.73 1uf2 h TYR 527 Ca 0.58 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.34 1uf2 h TYR 527 Cb 1.16 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1uf2 h TYR 527 CO -0.15 0.76 -0.20 0.87 -1.64 0.00 0.00 178.16 177.81 1uf2 h LYS 528 N 0.78 -0.53 -0.99 1.82 1.57 -0.56 -2.68 116.57 115.97 1uf2 h LYS 528 Ca 0.18 0.04 0.29 0.00 -1.87 0.00 0.00 60.65 59.29 1uf2 h LYS 528 Cb 0.29 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.57 1uf2 h LYS 528 CO -0.01 -0.29 0.55 -0.09 -0.57 0.00 0.00 179.45 179.04 1uf2 h ARG 529 N -0.68 0.37 -0.21 3.15 2.43 -1.20 0.25 114.38 118.49 1uf2 h ARG 529 Ca -0.06 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1uf2 h ARG 529 Cb 0.49 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1uf2 h ARG 529 CO 0.09 0.25 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.24 1uf2 h ASP 530 N 0.38 0.46 0.56 -3.80 3.45 -1.26 -2.76 116.42 113.45 1uf2 h ASP 530 Ca 0.69 -0.43 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1uf2 h ASP 530 Cb 1.51 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 1uf2 h ASP 530 CO -0.58 0.79 0.00 -0.07 -1.57 0.00 0.00 179.24 177.81 1uf2 h LEU 531 N 0.14 0.00 0.00 1.55 3.38 -0.70 -3.46 115.31 116.22 1uf2 h LEU 531 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1uf2 h LEU 531 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1uf2 h LEU 531 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1uf2 n ALA 532 N -2.02 0.00 -1.93 1.53 0.00 -0.19 -4.90 120.51 113.00 1uf2 n ALA 532 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1uf2 n ALA 532 Cb 0.19 -0.40 0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 2.87 0.37 0.00 2.01 -1.01 -4.27 118.68 118.65 1uf2 s LEU 533 Ca 0.00 0.91 -0.27 0.00 0.01 0.00 0.00 54.13 54.78 1uf2 s LEU 533 Cb 0.00 -3.63 -0.12 0.00 0.01 0.00 0.00 46.19 42.46 1uf2 s LEU 533 CO 0.00 -1.44 1.27 -0.81 1.01 0.00 0.00 176.35 176.38 1uf2 n PRO 534 N -2.99 2.04 -1.85 1.29 -0.04 -1.26 -4.52 135.00 127.67 1uf2 n PRO 534 Ca 0.07 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 1uf2 n PRO 534 Cb 0.58 -2.33 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1uf2 n PRO 534 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1uf2 n ASP 535 N 0.60 5.30 -3.67 3.54 4.64 -1.26 -4.85 116.55 120.85 1uf2 n ASP 535 Ca 0.05 -2.90 -0.14 0.00 -1.38 0.00 0.00 54.79 50.42 1uf2 n ASP 535 Cb 0.37 -1.57 -0.07 0.00 -1.04 0.00 0.00 41.12 38.81 1uf2 n ASP 535 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1uf2 s ARG 536 N 1.93 0.85 0.48 -0.67 1.70 -1.26 -5.14 118.95 116.83 1uf2 s ARG 536 Ca 0.49 -0.12 0.02 0.00 -0.47 0.00 0.00 55.73 55.65 1uf2 s ARG 536 Cb 0.14 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1uf2 s ARG 536 CO -0.06 -0.26 0.05 -1.12 -1.08 0.00 0.00 175.30 172.83 1uf2 s SER 537 N -1.48 3.69 0.58 -2.89 0.01 -1.26 -4.82 113.70 107.53 1uf2 s SER 537 Ca -0.11 -1.69 -0.08 0.00 1.31 0.00 0.00 55.95 55.39 1uf2 s SER 537 Cb -0.03 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.75 1uf2 s SER 537 CO 0.04 -0.91 0.94 -2.84 0.41 0.00 0.00 173.24 170.88 1uf2 s PRO 538 N -3.81 3.38 0.29 12.44 0.02 -1.26 -1.96 135.00 144.10 1uf2 s PRO 538 Ca 0.10 0.41 -0.29 0.00 0.02 0.00 0.00 61.00 61.24 1uf2 s PRO 538 Cb 0.01 -2.20 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 1uf2 s PRO 538 CO 0.06 -0.53 1.28 0.42 -0.33 0.00 0.00 177.00 177.91 1uf2 s ILE 539 N -3.03 2.93 -0.52 2.83 1.01 -0.31 -1.44 121.20 122.67 1uf2 s ILE 539 Ca 0.53 0.89 -0.28 0.00 0.00 0.00 0.00 60.65 61.78 1uf2 s ILE 539 Cb -0.11 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1uf2 s ILE 539 CO 0.49 0.19 1.27 -0.22 0.00 0.00 0.00 174.94 176.68 1uf2 s LEU 540 N -1.35 3.50 0.28 2.97 2.96 -0.52 -4.64 118.68 121.89 1uf2 s LEU 540 Ca 0.50 0.36 0.15 0.00 -0.22 0.00 0.00 54.13 54.92 1uf2 s LEU 540 Cb -0.38 -3.30 0.06 0.00 0.50 0.00 0.00 46.19 43.08 1uf2 s LEU 540 CO 0.48 -1.48 1.44 -0.29 -1.32 0.00 0.00 176.35 175.18 1uf2 h ILE 541 N 6.29 0.88 -1.18 6.68 2.10 -1.92 -3.47 117.51 126.88 1uf2 h ILE 541 Ca -0.25 -2.23 0.21 0.00 1.08 0.00 0.00 64.86 63.66 1uf2 h ILE 541 Cb 1.07 2.43 -0.26 0.00 -1.09 0.00 0.00 36.82 38.97 1uf2 h ILE 541 CO 1.15 0.50 0.86 0.28 -1.08 0.00 0.00 178.15 179.87 1uf2 s THR 542 N -2.96 0.00 0.50 2.19 -1.32 -1.26 -4.96 115.64 107.83 1uf2 s THR 542 Ca 0.04 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.34 1uf2 s THR 542 Cb 0.08 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 1uf2 s THR 542 CO 0.75 0.00 0.99 0.42 -2.21 0.00 0.00 174.62 174.57 1uf2 s THR 543 N -1.12 4.28 -0.31 5.08 -4.23 -1.26 -4.93 115.64 113.14 1uf2 s THR 543 Ca 0.07 1.24 0.03 0.00 -1.18 0.00 0.00 61.69 61.85 1uf2 s THR 543 Cb -0.01 -3.60 0.09 0.00 1.34 0.00 0.00 72.50 70.32 1uf2 s THR 543 CO -0.06 -0.49 0.00 -0.69 -0.54 0.00 0.00 174.62 172.85 1uf2 s VAL 544 N -2.37 2.10 0.00 2.29 1.01 -1.26 -1.73 120.40 120.44 1uf2 s VAL 544 Ca 0.62 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.57 1uf2 s VAL 544 Cb -0.11 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1uf2 s VAL 544 CO 0.25 -0.42 0.00 -0.62 0.00 0.00 0.00 175.10 174.31 1uf2 n GLU 545 N 4.37 0.63 0.00 2.72 1.02 -0.89 -2.62 120.64 125.87 1uf2 n GLU 545 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1uf2 n GLU 545 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1uf2 n GLU 545 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uf2 n GLY 546 N 5.00 0.00 3.47 0.62 0.00 -1.26 -3.52 105.19 109.50 1uf2 n GLY 546 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1uf2 n GLY 546 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uf2 s GLN 547 N 0.00 3.15 -1.24 1.61 -2.07 -1.26 -4.39 119.66 115.46 1uf2 s GLN 547 Ca 0.00 -0.71 -0.09 0.00 -1.82 0.00 0.00 55.36 52.74 1uf2 s GLN 547 Cb 0.00 -4.20 0.07 0.00 -1.09 0.00 0.00 33.01 27.80 1uf2 s GLN 547 CO 0.00 -1.78 0.45 0.09 -1.32 0.00 0.00 175.29 172.72 1uf2 n ASN 548 N 7.77 -3.51 -4.39 12.60 4.13 -1.26 -4.94 115.26 125.66 1uf2 n ASN 548 Ca -0.03 -0.36 -0.37 0.00 1.68 0.00 0.00 54.58 55.51 1uf2 n ASN 548 Cb 0.46 -2.92 -0.13 0.00 -1.54 0.00 0.00 39.78 35.65 1uf2 n ASN 548 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1uf2 s SER 549 N -2.68 5.01 0.05 6.41 1.04 -1.23 -5.01 113.70 117.29 1uf2 s SER 549 Ca 0.38 -0.39 -0.23 0.00 0.48 0.00 0.00 55.95 56.18 1uf2 s SER 549 Cb -0.20 -1.88 -0.06 0.00 0.10 0.00 0.00 66.02 63.97 1uf2 s SER 549 CO 0.47 -0.08 0.70 -0.63 0.98 0.00 0.00 173.24 174.67 1uf2 s ILE 550 N 1.56 4.74 0.12 -1.02 1.01 -1.26 -2.09 121.20 124.26 1uf2 s ILE 550 Ca 0.05 1.49 -0.24 0.00 0.00 0.00 0.00 60.65 61.95 1uf2 s ILE 550 Cb -0.16 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 1uf2 s ILE 550 CO 0.02 0.42 0.72 -0.55 0.00 0.00 0.00 174.94 175.55 1uf2 s SER 551 N -0.34 7.28 -0.02 3.58 0.15 -0.71 -4.94 113.70 118.70 1uf2 s SER 551 Ca 0.35 1.52 0.16 0.00 0.70 0.00 0.00 55.95 58.67 1uf2 s SER 551 Cb -0.20 -2.46 0.48 0.00 -1.71 0.00 0.00 66.02 62.13 1uf2 s SER 551 CO 0.21 0.20 1.40 2.30 1.20 0.00 0.00 173.24 178.55 1uf2 n ILE 552 N 1.81 1.17 -0.12 6.45 -5.35 -1.26 -4.62 119.36 117.44 1uf2 n ILE 552 Ca -0.06 -1.08 0.01 0.00 -0.27 0.00 0.00 62.75 61.35 1uf2 n ILE 552 Cb 0.49 0.41 0.04 0.00 -1.74 0.00 0.00 39.64 38.84 1uf2 n ILE 552 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1uf2 n GLU 553 N 0.90 -0.04 0.29 6.28 2.13 -1.26 -0.42 120.64 128.51 1uf2 n GLU 553 Ca 0.18 0.50 -0.13 0.00 0.66 0.00 0.00 57.16 58.36 1uf2 n GLU 553 Cb 0.57 -0.74 -0.07 0.00 0.27 0.00 0.00 31.44 31.47 1uf2 n GLU 553 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1uf2 h ASN 554 N 0.00 -0.65 -1.00 4.31 2.35 -1.94 -2.95 115.58 115.71 1uf2 h ASN 554 Ca 0.14 -0.02 0.28 0.00 -0.55 0.00 0.00 56.30 56.15 1uf2 h ASN 554 Cb 0.22 0.17 -0.13 0.00 0.05 0.00 0.00 38.32 38.63 1uf2 h ASN 554 CO -0.33 -0.26 0.57 -0.07 -1.65 0.00 0.00 177.43 175.69 1uf2 h LEU 555 N -1.13 0.58 0.10 1.61 4.07 -1.08 0.13 115.31 119.59 1uf2 h LEU 555 Ca -0.08 0.16 0.02 0.00 0.08 0.00 0.00 57.88 58.06 1uf2 h LEU 555 Cb 0.63 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 1uf2 h LEU 555 CO 0.13 -0.00 -0.27 -0.09 -1.08 0.00 0.00 178.44 177.13 1uf2 h ARG 556 N 0.46 -0.45 -0.41 1.13 2.43 -1.24 0.44 114.38 116.74 1uf2 h ARG 556 Ca 0.68 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.96 1uf2 h ARG 556 Cb 1.40 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.96 1uf2 h ARG 556 CO -0.54 -0.30 -0.34 1.25 -1.51 0.00 0.00 179.97 178.53 1uf2 h HIS 557 N -0.47 -0.95 0.00 2.20 2.76 -0.57 0.90 115.15 119.02 1uf2 h HIS 557 Ca 0.04 0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1uf2 h HIS 557 Cb 0.50 0.48 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 1uf2 h HIS 557 CO -0.25 -0.39 -0.20 0.87 -1.30 0.00 0.00 177.93 176.66 1uf2 h LYS 558 N -0.26 0.00 0.17 5.26 1.79 -1.21 -2.60 116.57 119.72 1uf2 h LYS 558 Ca 0.17 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1uf2 h LYS 558 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1uf2 h LYS 558 CO -0.56 0.20 -0.08 1.15 -1.08 0.00 0.00 179.45 179.08 1uf2 h THR 559 N 0.00 0.96 -0.50 -0.16 2.02 0.14 -0.83 112.91 114.53 1uf2 h THR 559 Ca -0.00 -0.71 0.15 0.00 0.77 0.00 0.00 66.41 66.62 1uf2 h THR 559 Cb 0.48 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1uf2 h THR 559 CO 0.03 0.16 0.38 1.23 0.37 0.00 0.00 175.52 177.69 1uf2 h GLY 560 N -0.58 0.00 1.59 2.16 0.00 -0.86 0.10 103.07 105.48 1uf2 h GLY 560 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 1uf2 h GLY 560 CO 0.04 0.00 -1.26 -2.00 0.00 0.00 0.00 176.54 173.32 1uf2 h LEU 561 N 0.00 0.48 -0.82 3.11 5.85 -1.23 -2.38 115.31 120.32 1uf2 h LEU 561 Ca 0.24 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1uf2 h LEU 561 Cb 1.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1uf2 h LEU 561 CO -0.00 1.39 0.06 0.40 -0.34 0.00 0.00 178.44 179.96 1uf2 h ILE 562 N 0.09 1.25 -0.25 4.05 2.04 0.44 -2.58 117.51 122.56 1uf2 h ILE 562 Ca -0.15 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1uf2 h ILE 562 Cb 1.98 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1uf2 h ILE 562 CO 0.21 0.37 0.10 -0.09 0.00 0.00 0.00 178.15 178.74 1uf2 h ARG 563 N 0.89 0.37 0.00 2.37 2.43 -1.14 -2.65 114.38 116.65 1uf2 h ARG 563 Ca 0.18 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1uf2 h ARG 563 Cb 0.43 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1uf2 h ARG 563 CO 0.01 0.42 0.00 0.00 -1.51 0.00 0.00 179.97 178.89 1uf2 n ALA 564 N -2.26 1.59 -0.03 2.80 0.00 -0.90 -1.94 120.51 119.77 1uf2 n ALA 564 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1uf2 n ALA 564 Cb 0.13 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.44 1uf2 n ALA 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uf2 n MET 565 N -1.40 2.68 0.00 0.00 0.00 -1.00 -4.67 117.12 112.73 1uf2 n MET 565 Ca 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 57.70 56.17 1uf2 n MET 565 Cb 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.26 1uf2 n MET 565 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1uf2 n TYR 566 N -0.20 -0.74 0.46 3.17 4.02 -1.16 -4.90 117.16 117.82 1uf2 n TYR 566 Ca 0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.97 1uf2 n TYR 566 Cb 0.28 0.38 0.19 0.00 -0.02 0.00 0.00 39.34 40.16 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 -2.25 2.64 -0.07 7.72 4.77 -0.82 -3.90 117.00 125.09 1uf2 n LEU 567 Ca 0.00 -1.33 -0.09 0.00 -0.03 0.00 0.00 56.01 54.55 1uf2 n LEU 567 Cb 0.00 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 1uf2 n LEU 567 CO 0.00 0.48 -0.98 -3.20 -1.33 0.00 0.00 177.39 172.36 1uf2 n ASN 568 N 0.49 2.50 0.00 -1.43 2.85 -1.18 -4.98 115.26 113.52 1uf2 n ASN 568 Ca 0.13 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1uf2 n ASN 568 Cb 0.50 0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.60 1uf2 n ASN 568 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uf2 n GLY 569 N 2.58 4.46 4.01 8.20 0.00 -1.25 -5.13 105.19 118.06 1uf2 n GLY 569 Ca -0.26 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 1uf2 n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uf2 s PHE 570 N -0.81 2.52 -0.25 1.61 0.40 -1.26 -4.95 117.98 115.24 1uf2 s PHE 570 Ca 0.00 -0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 1uf2 s PHE 570 Cb 0.00 -2.40 -0.15 0.00 0.51 0.00 0.00 43.02 40.97 1uf2 s PHE 570 CO 0.00 -0.64 -0.09 0.28 0.70 0.00 0.00 175.22 175.47 1uf2 n VAL 571 N -2.00 1.53 -3.60 -0.44 0.31 -0.04 -4.70 118.33 109.39 1uf2 n VAL 571 Ca 0.10 -0.21 -0.29 0.00 -0.01 0.00 0.00 64.34 63.93 1uf2 n VAL 571 Cb 0.60 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.44 1uf2 n VAL 571 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1uf2 s THR 572 N -2.44 0.97 0.44 2.52 -4.23 -1.10 -5.07 115.64 106.74 1uf2 s THR 572 Ca -0.34 -2.43 -0.23 0.00 -1.18 0.00 0.00 61.69 57.51 1uf2 s THR 572 Cb 0.11 -1.68 -0.10 0.00 1.34 0.00 0.00 72.50 72.16 1uf2 s THR 572 CO 0.54 -0.98 0.93 0.00 -0.54 0.00 0.00 174.62 174.57 1uf2 n GLN 573 N 3.49 1.17 -1.81 3.99 10.64 -1.26 -4.50 117.38 129.10 1uf2 n GLN 573 Ca 0.13 0.42 -0.38 0.00 -1.83 0.00 0.00 57.00 55.34 1uf2 n GLN 573 Cb 0.37 -1.97 0.04 0.00 -0.86 0.00 0.00 30.24 27.81 1uf2 n GLN 573 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 1uf2 s PRO 574 N -2.04 3.23 0.38 2.61 0.02 -1.26 -4.89 135.00 133.05 1uf2 s PRO 574 Ca 0.65 2.23 0.10 0.00 0.02 0.00 0.00 61.00 64.00 1uf2 s PRO 574 Cb -0.54 -2.31 0.87 0.00 0.02 0.00 0.00 34.50 32.54 1uf2 s PRO 574 CO 0.56 -1.12 1.92 -1.00 -0.33 0.00 0.00 177.00 177.03 1uf2 h PRO 575 N 1.58 0.60 -0.75 5.54 0.13 -1.92 -0.96 132.00 136.22 1uf2 h PRO 575 Ca -0.51 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 64.69 1uf2 h PRO 575 Cb 1.29 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1uf2 h PRO 575 CO 0.58 0.40 0.49 0.00 -0.23 0.00 0.00 178.00 179.24 1uf2 h ALA 576 N 1.62 1.86 -0.00 -0.56 0.00 -1.90 -2.10 119.26 118.18 1uf2 h ALA 576 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1uf2 h ALA 576 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1uf2 h ALA 576 CO -0.14 -0.02 -0.02 0.91 0.00 0.00 0.00 179.25 179.98 1uf2 n TRP 577 N -4.50 0.00 0.18 0.00 7.02 -0.37 -3.58 117.44 116.20 1uf2 n TRP 577 Ca 0.13 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.47 1uf2 n TRP 577 Cb 0.36 -0.06 -0.08 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.52 0.60 0.00 -0.99 2.04 -1.43 -2.97 117.51 115.30 1uf2 h ILE 578 Ca 0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1uf2 h ILE 578 Cb 0.18 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1uf2 h ILE 578 CO 0.00 0.10 -0.73 0.54 0.00 0.00 0.00 178.15 178.06 1uf2 n ARG 579 N -5.17 0.06 -0.06 2.37 5.12 -1.26 -4.40 116.66 113.32 1uf2 n ARG 579 Ca -0.10 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.85 1uf2 n ARG 579 Cb 0.27 -1.52 0.05 0.00 -1.16 0.00 0.00 32.46 30.11 1uf2 n ARG 579 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1uf2 n ASN 580 N -1.60 2.17 -0.27 0.55 3.02 -1.23 -4.81 115.26 113.08 1uf2 n ASN 580 Ca 0.04 -1.82 0.09 0.00 -0.03 0.00 0.00 54.58 52.86 1uf2 n ASN 580 Cb 0.35 -0.08 0.19 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.00 0.32 -0.65 5.41 0.00 -1.12 -1.18 120.51 123.29 1uf2 n ALA 581 Ca 0.04 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.32 1uf2 n ALA 581 Cb 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1uf2 n ALA 581 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1uf2 n ASN 582 N -5.14 0.00 -0.53 0.00 3.02 -1.26 -1.49 115.26 109.87 1uf2 n ASN 582 Ca 0.16 0.59 0.42 0.00 -0.03 0.00 0.00 54.58 55.72 1uf2 n ASN 582 Cb 0.52 -0.17 0.67 0.00 -0.61 0.00 0.00 39.78 40.19 1uf2 n ASN 582 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uf2 n SER 583 N -1.02 0.10 0.15 6.41 3.41 -1.01 0.32 113.62 121.99 1uf2 n SER 583 Ca 0.00 1.09 -0.11 0.00 -0.26 0.00 0.00 58.87 59.60 1uf2 n SER 583 Cb 0.00 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 1uf2 n SER 583 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1uf2 h ASN 584 N 0.00 -0.38 -0.97 4.04 -0.26 -1.10 -2.51 115.58 114.41 1uf2 h ASN 584 Ca 0.82 -0.15 0.24 0.00 -0.56 0.00 0.00 56.30 56.65 1uf2 h ASN 584 Cb 2.97 0.10 -0.12 0.00 -1.06 0.00 0.00 38.32 40.20 1uf2 h ASN 584 CO -0.23 0.08 0.53 0.74 -1.06 0.00 0.00 177.43 177.48 1uf2 h THR 585 N -0.98 0.52 0.00 2.81 2.02 0.99 -0.68 112.91 117.59 1uf2 h THR 585 Ca -0.05 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1uf2 h THR 585 Cb 0.50 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1uf2 h THR 585 CO 0.07 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1uf2 n ALA 586 N -2.37 -0.26 -0.34 6.16 0.00 -0.59 -0.56 120.51 122.54 1uf2 n ALA 586 Ca 0.25 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.86 1uf2 n ALA 586 Cb 0.71 0.03 0.32 0.00 0.00 0.00 0.00 19.45 20.51 1uf2 n ALA 586 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1uf2 n LEU 587 N -1.39 -0.07 -0.01 0.00 7.94 -0.95 0.99 117.00 123.50 1uf2 n LEU 587 Ca 0.00 1.69 -0.06 0.00 -1.11 0.00 0.00 56.01 56.53 1uf2 n LEU 587 Cb 0.00 -0.64 0.13 0.00 0.53 0.00 0.00 43.42 43.44 1uf2 n LEU 587 CO 0.00 -1.74 0.65 0.25 -1.11 0.00 0.00 177.39 175.44 1uf2 h LEU 588 N 0.00 0.59 0.01 -1.96 6.46 -1.12 -0.47 115.31 118.82 1uf2 h LEU 588 Ca 0.63 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1uf2 h LEU 588 Cb 1.35 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1uf2 h LEU 588 CO -0.92 0.88 -0.00 0.28 -0.62 0.00 0.00 178.44 178.06 1uf2 h SER 589 N 0.48 -0.01 -0.48 1.25 0.02 0.32 -1.30 113.55 113.84 1uf2 h SER 589 Ca 0.05 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1uf2 h SER 589 Cb 0.81 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1uf2 h SER 589 CO 0.07 0.11 0.21 -0.09 -1.14 0.00 0.00 176.83 175.99 1uf2 h ARG 590 N -0.13 0.75 0.55 3.45 9.65 -0.95 -2.19 114.38 125.52 1uf2 h ARG 590 Ca -0.00 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 1uf2 h ARG 590 Cb 0.12 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1uf2 h ARG 590 CO 0.00 0.62 -0.48 0.35 2.80 0.00 0.00 179.97 183.27 1uf2 h PHE 591 N 0.75 -1.30 -0.34 2.20 3.57 -0.57 -1.93 116.94 119.33 1uf2 h PHE 591 Ca 0.18 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1uf2 h PHE 591 Cb 0.15 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1uf2 h PHE 591 CO 0.01 -0.66 0.23 -0.07 -2.23 0.00 0.00 178.31 175.59 1uf2 h LEU 592 N -1.01 0.31 -1.67 0.59 3.38 -1.12 -0.29 115.31 115.50 1uf2 h LEU 592 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1uf2 h LEU 592 Cb 0.86 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1uf2 h LEU 592 CO -0.02 0.22 0.00 0.44 0.09 0.00 0.00 178.44 179.17 1uf2 h ASP 593 N 0.36 0.00 -0.01 -0.43 5.19 -0.92 -3.11 116.42 117.50 1uf2 h ASP 593 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1uf2 h ASP 593 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1uf2 h ASP 593 CO -0.03 0.00 -0.46 0.00 -3.12 0.00 0.00 179.24 175.63 1uf2 n ALA 594 N -2.08 3.43 -0.14 3.45 0.00 -0.17 -4.54 120.51 120.46 1uf2 n ALA 594 Ca 0.00 -0.49 0.24 0.00 0.00 0.00 0.00 53.44 53.19 1uf2 n ALA 594 Cb 0.27 -0.54 0.66 0.00 0.00 0.00 0.00 19.45 19.84 1uf2 n ALA 594 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1uf2 h THR 595 N 1.09 0.64 0.00 0.00 1.35 -1.35 0.22 112.91 114.86 1uf2 h THR 595 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1uf2 h THR 595 Cb 0.46 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1uf2 h THR 595 CO 0.00 0.02 0.00 -0.65 -0.25 0.00 0.00 175.52 174.64 1uf2 h PRO 596 N 0.10 0.00 -0.13 4.72 0.11 -1.82 0.18 132.00 135.16 1uf2 h PRO 596 Ca 0.38 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.53 1uf2 h PRO 596 Cb 1.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 1uf2 h PRO 596 CO -0.04 0.00 0.12 -0.91 -0.21 0.00 0.00 178.00 176.96 1uf2 h ASN 597 N 0.00 0.00 0.00 -2.05 2.35 -0.80 0.11 115.58 115.19 1uf2 h ASN 597 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1uf2 h ASN 597 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1uf2 h ASN 597 CO 0.00 0.00 0.04 0.18 -1.65 0.00 0.00 177.43 176.00 1uf2 n LEU 598 N -4.03 0.50 -0.31 1.61 4.77 0.62 -1.41 117.00 118.75 1uf2 n LEU 598 Ca 0.00 0.72 0.27 0.00 -0.03 0.00 0.00 56.01 56.98 1uf2 n LEU 598 Cb 0.24 -0.77 0.61 0.00 -2.33 0.00 0.00 43.42 41.17 1uf2 n LEU 598 CO 0.30 -0.89 1.26 0.25 -1.33 0.00 0.00 177.39 176.97 1uf2 h LEU 599 N 0.00 0.26 -0.81 2.23 5.85 -0.96 -0.44 115.31 121.44 1uf2 h LEU 599 Ca 0.00 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.94 1uf2 h LEU 599 Cb 0.07 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 1uf2 h LEU 599 CO 0.00 0.05 0.34 1.23 -0.34 0.00 0.00 178.44 179.72 1uf2 h GLY 600 N 0.23 1.29 0.91 3.75 0.00 -1.47 -0.63 103.07 107.15 1uf2 h GLY 600 Ca 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1uf2 h GLY 600 CO -0.18 -0.14 -0.08 -2.22 0.00 0.00 0.00 176.54 173.92 1uf2 h ILE 601 N 0.45 0.88 -1.03 2.60 2.04 -1.32 -1.80 117.51 119.34 1uf2 h ILE 601 Ca 0.47 -0.20 0.26 0.00 1.00 0.00 0.00 64.86 66.39 1uf2 h ILE 601 Cb 0.76 1.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.73 1uf2 h ILE 601 CO -0.44 0.05 0.63 1.88 0.00 0.00 0.00 178.15 180.26 1uf2 h TYR 602 N -0.32 0.86 0.47 1.37 0.99 -1.19 -1.33 116.97 117.83 1uf2 h TYR 602 Ca -0.02 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1uf2 h TYR 602 Cb 0.25 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 37.74 1uf2 h TYR 602 CO -0.04 0.05 -0.23 0.93 -0.00 0.00 0.00 178.16 178.87 1uf2 h GLU 603 N 0.49 -0.61 -1.22 4.88 5.08 -0.73 0.69 114.58 123.16 1uf2 h GLU 603 Ca 0.64 0.04 0.35 0.00 -1.00 0.00 0.00 59.36 59.39 1uf2 h GLU 603 Cb 1.39 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.73 1uf2 h GLU 603 CO -0.41 -0.41 0.93 0.00 -1.00 0.00 0.00 179.01 178.13 1uf2 h ALA 604 N -1.46 3.12 0.00 3.43 0.00 -0.85 0.84 119.26 124.35 1uf2 h ALA 604 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1uf2 h ALA 604 Cb 0.49 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1uf2 h ALA 604 CO 0.11 -1.56 -0.12 0.82 0.00 0.00 0.00 179.25 178.49 1uf2 h ILE 605 N 0.00 0.30 -0.05 0.00 2.04 -1.14 -3.34 117.51 115.32 1uf2 h ILE 605 Ca 0.58 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1uf2 h ILE 605 Cb 2.44 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1uf2 h ILE 605 CO -0.01 0.10 0.13 -0.07 0.00 0.00 0.00 178.15 178.31 1uf2 h LEU 606 N -1.00 0.00 -1.08 1.44 3.38 0.93 -1.91 115.31 117.07 1uf2 h LEU 606 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1uf2 h LEU 606 Cb 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1uf2 h LEU 606 CO -0.01 0.00 0.62 0.00 0.09 0.00 0.00 178.44 179.14 1uf2 h ALA 607 N 1.78 1.41 -0.82 1.53 0.00 0.49 -2.31 119.26 121.34 1uf2 h ALA 607 Ca 0.02 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 1uf2 h ALA 607 Cb 0.29 -0.33 -0.23 0.00 0.00 0.00 0.00 17.79 17.52 1uf2 h ALA 607 CO -0.00 0.49 0.84 0.09 0.00 0.00 0.00 179.25 180.67 1uf2 n ASN 608 N -4.45 7.14 0.19 0.00 3.02 -0.72 -4.52 115.26 115.93 1uf2 n ASN 608 Ca 0.13 -3.58 -0.15 0.00 -0.03 0.00 0.00 54.58 50.96 1uf2 n ASN 608 Cb 0.12 -1.14 -0.08 0.00 -0.61 0.00 0.00 39.78 38.06 1uf2 n ASN 608 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1uf2 h THR 609 N 2.02 0.69 -0.52 3.41 2.02 -1.58 -0.33 112.91 118.62 1uf2 h THR 609 Ca 0.50 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.70 1uf2 h THR 609 Cb 0.30 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1uf2 h THR 609 CO 1.22 0.01 0.26 1.88 0.37 0.00 0.00 175.52 179.26 1uf2 h TYR 610 N -0.44 0.48 -0.21 3.16 -1.99 -1.88 -1.87 116.97 114.22 1uf2 h TYR 610 Ca -0.04 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 1uf2 h TYR 610 Cb 0.34 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1uf2 h TYR 610 CO -0.05 0.23 -0.10 0.00 -0.00 0.00 0.00 178.16 178.24 1uf2 h ALA 611 N 1.28 1.44 0.00 3.88 0.00 -1.66 0.37 119.26 124.57 1uf2 h ALA 611 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1uf2 h ALA 611 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1uf2 h ALA 611 CO -0.16 0.39 -0.35 -0.91 0.00 0.00 0.00 179.25 178.22 1uf2 h ASN 612 N 0.31 0.00 0.00 0.00 2.35 -0.28 -3.40 115.58 114.56 1uf2 h ASN 612 Ca 0.06 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.62 1uf2 h ASN 612 Cb 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1uf2 h ASN 612 CO 0.02 0.35 -1.70 0.00 -1.65 0.00 0.00 177.43 174.46 1uf2 n ALA 613 N -2.25 1.93 -2.31 -0.83 0.00 -0.84 -4.72 120.51 111.50 1uf2 n ALA 613 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 1uf2 n ALA 613 Cb 0.53 0.27 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 1uf2 n ALA 613 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1uf2 s VAL 614 N -2.24 3.80 0.07 0.00 1.01 0.08 -4.78 120.40 118.35 1uf2 s VAL 614 Ca -0.17 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 1uf2 s VAL 614 Cb 0.05 -4.83 0.09 0.00 0.00 0.00 0.00 36.38 31.69 1uf2 s VAL 614 CO 0.25 -1.47 1.14 0.54 0.00 0.00 0.00 175.10 175.55 1uf2 s ASN 615 N 5.54 -0.09 -0.00 3.32 2.20 -1.26 -1.96 114.94 122.68 1uf2 s ASN 615 Ca 0.61 -0.30 0.10 0.00 -0.94 0.00 0.00 52.86 52.33 1uf2 s ASN 615 Cb 0.01 0.32 -0.23 0.00 -2.00 0.00 0.00 41.25 39.35 1uf2 s ASN 615 CO 0.09 -0.60 0.81 0.58 -2.94 0.00 0.00 177.10 175.04 1uf2 h VAL 616 N 2.00 1.06 0.00 3.54 2.07 -1.78 -3.40 116.25 119.75 1uf2 h VAL 616 Ca -0.27 -2.87 -0.05 0.00 0.82 0.00 0.00 66.70 64.33 1uf2 h VAL 616 Cb 1.21 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1uf2 h VAL 616 CO 0.28 0.63 -0.22 0.10 0.02 0.00 0.00 177.57 178.38 1uf2 h TYR 617 N 0.01 0.00 -4.10 1.57 -0.00 -1.90 -3.46 116.97 109.09 1uf2 h TYR 617 Ca -0.22 0.00 -0.48 0.00 0.00 0.00 0.00 58.73 58.02 1uf2 h TYR 617 Cb 1.96 0.00 0.05 0.00 0.00 0.00 0.00 36.73 38.74 1uf2 h TYR 617 CO 0.01 0.22 0.40 0.00 -0.00 0.00 0.00 178.16 178.78 1uf2 s ASP 619 N -2.03 -0.49 0.00 0.00 -1.08 -0.36 -4.71 116.67 108.00 1uf2 s ASP 619 Ca 0.69 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.56 1uf2 s ASP 619 Cb -0.19 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 41.90 1uf2 s ASP 619 CO 0.25 -1.07 0.49 -1.54 0.52 0.00 0.00 175.17 173.83 1uf2 n SER 620 N -0.40 0.36 -4.48 -0.34 3.41 -0.83 -3.84 113.62 107.50 1uf2 n SER 620 Ca -0.14 -1.16 -0.34 0.00 -0.26 0.00 0.00 58.87 56.97 1uf2 n SER 620 Cb 0.63 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.46 1uf2 n SER 620 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1uf2 s VAL 621 N -0.16 4.02 -0.69 -3.33 -7.23 -1.26 -4.51 120.40 107.24 1uf2 s VAL 621 Ca 0.00 -0.30 -0.27 0.00 -1.81 0.00 0.00 61.98 59.60 1uf2 s VAL 621 Cb 0.00 -2.80 0.03 0.00 0.56 0.00 0.00 36.38 34.17 1uf2 s VAL 621 CO 0.00 0.45 1.24 -0.47 -0.31 0.00 0.00 175.10 176.02 1uf2 s TYR 622 N 0.72 2.39 -0.66 2.82 5.04 -1.26 -4.80 117.35 121.61 1uf2 s TYR 622 Ca -0.00 0.09 -0.25 0.00 -2.44 0.00 0.00 57.07 54.47 1uf2 s TYR 622 Cb -0.14 -4.58 0.05 0.00 0.35 0.00 0.00 41.96 37.63 1uf2 s TYR 622 CO 0.02 -1.91 1.09 1.03 -1.34 0.00 0.00 175.55 174.44 1uf2 s ARG 623 N 5.45 3.21 0.44 4.97 0.52 -1.26 -4.81 118.95 127.48 1uf2 s ARG 623 Ca 0.37 -0.45 0.20 0.00 -0.52 0.00 0.00 55.73 55.33 1uf2 s ARG 623 Cb -0.08 -4.16 1.05 0.00 0.52 0.00 0.00 34.95 32.27 1uf2 s ARG 623 CO 0.18 -1.86 1.94 0.00 0.02 0.00 0.00 175.30 175.58 1uf2 h ALA 624 N 9.68 1.34 0.00 2.13 0.00 -1.93 -2.96 119.26 127.51 1uf2 h ALA 624 Ca -0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1uf2 h ALA 624 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1uf2 h ALA 624 CO 1.20 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 180.35 1uf2 n ASP 625 N -3.86 0.00 -4.70 0.00 5.75 -1.25 -3.06 116.55 109.43 1uf2 n ASP 625 Ca -0.02 0.46 -0.42 0.00 -0.01 0.00 0.00 54.79 54.81 1uf2 n ASP 625 Cb 0.33 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 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 -2.96 2.57 -0.11 2.12 -1.09 -1.12 -4.48 121.20 116.12 1uf2 s ILE 626 Ca 0.08 0.18 -0.37 0.00 -2.23 0.00 0.00 60.65 58.30 1uf2 s ILE 626 Cb 0.10 -3.11 -0.14 0.00 -1.58 0.00 0.00 42.46 37.72 1uf2 s ILE 626 CO 0.26 0.00 1.71 -2.65 -1.23 0.00 0.00 174.94 173.03 1uf2 n PRO 627 N 5.25 1.60 0.29 2.79 -0.02 -1.26 -4.58 135.00 139.08 1uf2 n PRO 627 Ca 0.17 0.58 0.18 0.00 -2.02 0.00 0.00 63.50 62.41 1uf2 n PRO 627 Cb 0.38 -2.32 0.98 0.00 -0.02 0.00 0.00 33.50 32.52 1uf2 n PRO 627 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1uf2 h ILE 628 N 4.83 0.35 0.00 4.25 6.09 -1.89 -0.83 117.51 130.31 1uf2 h ILE 628 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1uf2 h ILE 628 Cb 1.30 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.54 1uf2 h ILE 628 CO 0.92 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 175.38 1uf2 n GLU 629 N -3.58 0.02 0.15 2.19 4.71 -1.26 -2.79 120.64 120.08 1uf2 n GLU 629 Ca -0.02 0.10 0.10 0.00 -0.01 0.00 0.00 57.16 57.33 1uf2 n GLU 629 Cb 0.14 -1.52 0.07 0.00 -1.01 0.00 0.00 31.44 29.11 1uf2 n GLU 629 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 1uf2 h TRP 630 N 0.00 0.00 -4.05 -0.32 4.06 -1.51 -3.46 115.95 110.67 1uf2 h TRP 630 Ca 0.00 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.51 1uf2 h TRP 630 Cb 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 1uf2 h TRP 630 CO 0.00 0.09 0.34 0.15 -3.56 0.00 0.00 178.44 175.46 1uf2 s LYS 631 N -3.23 4.25 0.32 0.49 1.02 -1.12 -4.98 119.74 116.49 1uf2 s LYS 631 Ca 0.03 1.13 0.01 0.00 0.02 0.00 0.00 55.97 57.17 1uf2 s LYS 631 Cb 0.07 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1uf2 s LYS 631 CO 0.74 -0.01 0.50 -0.51 -0.92 0.00 0.00 175.35 175.15 1uf2 s LEU 632 N -3.10 4.08 -0.08 3.17 1.02 -0.57 -4.93 118.68 118.27 1uf2 s LEU 632 Ca 0.61 0.37 -0.23 0.00 0.02 0.00 0.00 54.13 54.90 1uf2 s LEU 632 Cb -0.10 -3.21 0.05 0.00 0.02 0.00 0.00 46.19 42.95 1uf2 s LEU 632 CO 0.14 -0.24 0.53 -1.38 0.02 0.00 0.00 176.35 175.42 1uf2 s HIS 633 N -2.24 -0.50 0.12 0.29 -3.43 -1.26 -1.46 115.29 106.82 1uf2 s HIS 633 Ca 0.39 0.97 -0.00 0.00 -0.80 0.00 0.00 55.06 55.61 1uf2 s HIS 633 Cb -0.09 0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 31.27 1uf2 s HIS 633 CO 0.34 -0.45 0.03 1.14 -2.00 0.00 0.00 174.74 173.80 1uf2 s GLN 634 N -0.81 0.90 0.32 -0.38 -2.07 -1.22 -5.02 119.66 111.39 1uf2 s GLN 634 Ca -0.09 -1.42 -0.14 0.00 -1.82 0.00 0.00 55.36 51.90 1uf2 s GLN 634 Cb -0.03 0.13 -0.09 0.00 -1.09 0.00 0.00 33.01 31.94 1uf2 s GLN 634 CO 0.06 -0.20 0.72 -1.12 -1.32 0.00 0.00 175.29 173.43 1uf2 s SER 635 N -3.05 6.74 -0.03 12.60 0.01 -1.26 -1.50 113.70 127.21 1uf2 s SER 635 Ca 0.21 1.24 0.01 0.00 1.31 0.00 0.00 55.95 58.72 1uf2 s SER 635 Cb 0.07 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.97 1uf2 s SER 635 CO -0.00 -0.21 -0.02 -0.69 0.41 0.00 0.00 173.24 172.73 1uf2 s VAL 636 N -2.00 0.31 -0.35 3.43 1.01 -0.64 -4.87 120.40 117.29 1uf2 s VAL 636 Ca 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 1uf2 s VAL 636 Cb -0.10 -0.37 0.08 0.00 0.00 0.00 0.00 36.38 35.99 1uf2 s VAL 636 CO 0.19 0.16 0.08 -0.62 0.00 0.00 0.00 175.10 174.91 1uf2 s ASP 637 N 0.82 5.02 0.59 3.32 -1.08 -1.26 -1.02 116.67 123.07 1uf2 s ASP 637 Ca -0.09 -1.65 0.29 0.00 -0.52 0.00 0.00 52.55 50.58 1uf2 s ASP 637 Cb -0.12 -1.75 1.39 0.00 -1.46 0.00 0.00 42.92 40.98 1uf2 s ASP 637 CO -0.01 -0.38 1.79 -0.65 0.52 0.00 0.00 175.17 176.44 1uf2 h PRO 638 N 7.98 0.00 -0.23 4.34 0.11 -1.94 0.15 132.00 142.41 1uf2 h PRO 638 Ca -0.16 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 1uf2 h PRO 638 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1uf2 h PRO 638 CO 0.60 0.00 -0.22 1.96 -0.21 0.00 0.00 178.00 180.12 1uf2 h GLN 639 N 0.00 0.41 -0.68 1.05 4.20 -1.93 -2.15 115.11 116.01 1uf2 h GLN 639 Ca 0.26 -0.14 0.16 0.00 0.06 0.00 0.00 58.65 59.00 1uf2 h GLN 639 Cb 1.49 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.20 1uf2 h GLN 639 CO -0.00 0.62 0.47 -0.44 -0.67 0.00 0.00 178.83 178.81 1uf2 h ASP 640 N 0.37 0.19 0.06 1.46 3.32 -1.03 0.29 116.42 121.09 1uf2 h ASP 640 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1uf2 h ASP 640 Cb 0.60 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1uf2 h ASP 640 CO 0.04 0.10 0.00 -0.11 -1.72 0.00 0.00 179.24 177.55 1uf2 n LEU 641 N -4.42 0.51 0.26 1.55 7.94 -0.81 -3.41 117.00 118.63 1uf2 n LEU 641 Ca 0.13 0.73 -0.10 0.00 -1.11 0.00 0.00 56.01 55.66 1uf2 n LEU 641 Cb 0.61 -0.78 -0.05 0.00 0.53 0.00 0.00 43.42 43.73 1uf2 n LEU 641 CO 0.35 -0.88 0.51 0.25 -1.11 0.00 0.00 177.39 176.51 1uf2 h LEU 642 N 0.00 -0.56 -1.92 -1.96 5.85 -0.56 -2.68 115.31 113.48 1uf2 h LEU 642 Ca 0.00 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1uf2 h LEU 642 Cb 0.03 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1uf2 h LEU 642 CO 0.00 -0.40 0.54 0.15 -0.34 0.00 0.00 178.44 178.39 1uf2 h PHE 643 N -0.67 0.00 -0.26 1.25 3.57 -1.75 0.50 116.94 119.58 1uf2 h PHE 643 Ca -0.07 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 1uf2 h PHE 643 Cb 0.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1uf2 h PHE 643 CO 0.12 0.00 -0.21 0.78 -2.23 0.00 0.00 178.31 176.77 1uf2 h GLY 644 N 0.00 0.52 1.69 2.40 0.00 -1.62 1.21 103.07 107.27 1uf2 h GLY 644 Ca 0.26 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1uf2 h GLY 644 CO -0.00 0.37 -0.61 -2.08 0.00 0.00 0.00 176.54 174.21 1uf2 h VAL 645 N 0.43 1.37 0.08 4.60 2.07 0.32 -2.84 116.25 122.28 1uf2 h VAL 645 Ca 0.07 -1.97 -0.35 0.00 0.82 0.00 0.00 66.70 65.27 1uf2 h VAL 645 Cb 0.61 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1uf2 h VAL 645 CO 0.04 0.59 -1.99 0.49 0.02 0.00 0.00 177.57 176.72 1uf2 n PHE 646 N -3.88 0.97 -0.02 1.57 0.99 -1.10 -4.52 117.46 111.48 1uf2 n PHE 646 Ca -0.03 0.24 -0.12 0.00 -0.00 0.00 0.00 57.45 57.54 1uf2 n PHE 646 Cb 0.63 -1.12 -0.10 0.00 -1.00 0.00 0.00 39.48 37.89 1uf2 n PHE 646 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1uf2 h GLY 647 N 0.83 -0.07 -5.37 1.37 0.00 0.14 -3.47 103.07 96.51 1uf2 h GLY 647 Ca -0.45 0.02 -0.67 0.00 0.00 0.00 0.00 47.33 46.23 1uf2 h GLY 647 CO -0.01 -0.02 0.41 1.39 0.00 0.00 0.00 176.54 178.31 1uf2 n ILE 648 N -4.77 0.18 -3.92 2.60 5.41 -1.07 -2.27 119.36 115.51 1uf2 n ILE 648 Ca -0.08 -0.04 -0.35 0.00 1.00 0.00 0.00 62.75 63.27 1uf2 n ILE 648 Cb 0.33 -0.82 -0.14 0.00 -0.71 0.00 0.00 39.64 38.30 1uf2 n ILE 648 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1uf2 s VAL 649 N 0.35 3.00 0.32 1.39 1.01 0.19 -4.80 120.40 121.86 1uf2 s VAL 649 Ca 0.82 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1uf2 s VAL 649 Cb -0.94 -2.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 1uf2 s VAL 649 CO 0.48 0.04 1.25 -2.84 0.00 0.00 0.00 175.10 174.03 1uf2 s PRO 650 N 1.30 4.41 -0.08 2.72 0.02 -1.26 -4.53 135.00 137.58 1uf2 s PRO 650 Ca -0.02 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 1uf2 s PRO 650 Cb -0.18 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 1uf2 s PRO 650 CO -0.02 -0.10 0.26 -0.65 -0.33 0.00 0.00 177.00 176.15 1uf2 s GLN 651 N -1.74 3.72 -0.14 5.54 -1.52 -1.26 -4.99 119.66 119.27 1uf2 s GLN 651 Ca 0.48 0.10 0.14 0.00 -1.95 0.00 0.00 55.36 54.14 1uf2 s GLN 651 Cb -0.38 -3.23 0.67 0.00 -0.22 0.00 0.00 33.01 29.85 1uf2 s GLN 651 CO 0.50 0.68 1.54 0.66 -0.25 0.00 0.00 175.29 178.42 1uf2 n TYR 652 N 2.10 1.52 -3.74 0.91 4.02 -1.26 -4.84 117.16 115.87 1uf2 n TYR 652 Ca -0.17 -0.56 -0.12 0.00 -0.01 0.00 0.00 57.90 57.04 1uf2 n TYR 652 Cb 0.54 -0.32 -0.11 0.00 -0.02 0.00 0.00 39.34 39.42 1uf2 n TYR 652 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1uf2 s GLN 653 N -2.11 0.35 0.04 -0.72 -2.07 -1.26 -5.07 119.66 108.83 1uf2 s GLN 653 Ca 0.46 0.54 -0.24 0.00 -1.82 0.00 0.00 55.36 54.30 1uf2 s GLN 653 Cb 0.32 0.08 -0.06 0.00 -1.09 0.00 0.00 33.01 32.26 1uf2 s GLN 653 CO 0.18 -0.09 0.72 0.42 -1.32 0.00 0.00 175.29 175.20 1uf2 s ILE 654 N 0.64 4.75 0.00 3.63 1.01 -1.26 -4.98 121.20 125.00 1uf2 s ILE 654 Ca -0.04 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.14 1uf2 s ILE 654 Cb -0.05 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1uf2 s ILE 654 CO -0.04 0.39 0.00 0.18 0.00 0.00 0.00 174.94 175.47 1uf2 n LEU 655 N 2.69 0.00 -3.87 2.97 4.32 -1.26 -3.28 117.00 118.57 1uf2 n LEU 655 Ca -0.04 -0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.76 1uf2 n LEU 655 Cb 0.50 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.14 1uf2 n LEU 655 CO 0.46 0.00 -0.40 0.20 -1.22 0.00 0.00 177.39 176.43 1uf2 s ASN 656 N -1.92 0.87 -0.02 -1.43 0.01 -1.26 -2.06 114.94 109.12 1uf2 s ASN 656 Ca 0.00 -0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 52.04 1uf2 s ASN 656 Cb 0.00 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.23 1uf2 s ASN 656 CO 0.00 -0.07 0.07 -1.61 -1.51 0.00 0.00 177.10 173.98 1uf2 s GLU 657 N 1.01 3.07 0.26 -0.60 2.02 -1.26 -4.73 118.70 118.47 1uf2 s GLU 657 Ca -0.10 -0.46 -0.12 0.00 0.02 0.00 0.00 54.97 54.31 1uf2 s GLU 657 Cb -0.14 -2.87 -0.08 0.00 0.10 0.00 0.00 34.13 31.14 1uf2 s GLU 657 CO -0.01 0.66 0.64 0.00 0.02 0.00 0.00 175.26 176.57 1uf2 s ALA 658 N -1.15 3.46 -0.21 5.21 0.00 -1.26 -5.02 121.76 122.79 1uf2 s ALA 658 Ca 0.21 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 1uf2 s ALA 658 Cb -0.12 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1uf2 s ALA 658 CO 0.12 0.42 1.74 0.08 0.00 0.00 0.00 175.76 178.13 1uf2 s VAL 659 N -1.86 3.52 0.73 0.00 1.01 -1.26 -4.03 120.40 118.51 1uf2 s VAL 659 Ca 0.50 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 1uf2 s VAL 659 Cb -0.11 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1uf2 s VAL 659 CO 0.19 -0.25 1.19 -2.16 0.00 0.00 0.00 175.10 174.08 1uf2 s PRO 660 N 4.97 2.19 0.30 2.72 0.04 -1.26 -4.86 135.00 139.10 1uf2 s PRO 660 Ca 0.78 1.70 0.24 0.00 0.04 0.00 0.00 61.00 63.76 1uf2 s PRO 660 Cb -0.27 -1.84 0.54 0.00 0.04 0.00 0.00 34.50 32.96 1uf2 s PRO 660 CO 0.32 -1.79 1.64 -0.44 0.04 0.00 0.00 177.00 176.77 1uf2 h ASP 661 N -0.31 0.00 0.00 6.66 3.45 -1.81 -3.49 116.42 120.93 1uf2 h ASP 661 Ca -0.47 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1uf2 h ASP 661 Cb 1.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 1uf2 h ASP 661 CO 0.50 0.01 0.00 0.49 -1.57 0.00 0.00 179.24 178.67 1uf2 n PHE 662 N -2.64 0.00 0.64 4.55 3.01 -0.83 -2.25 117.46 119.95 1uf2 n PHE 662 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.57 1uf2 n PHE 662 Cb 0.48 0.01 0.34 0.00 -0.01 0.00 0.00 39.48 40.30 1uf2 n PHE 662 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1uf2 n PHE 663 N 14.00 0.00 -1.55 1.38 3.01 -1.26 -3.38 117.46 129.66 1uf2 n PHE 663 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 1uf2 n PHE 663 Cb 0.00 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 39.20 1uf2 n PHE 663 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uf2 n ALA 664 N -1.25 -0.84 -0.95 4.37 0.00 -0.95 -2.11 120.51 118.77 1uf2 n ALA 664 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1uf2 n ALA 664 Cb 0.10 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1uf2 n ALA 664 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uf2 n GLY 665 N 1.42 0.71 0.02 0.00 0.00 -1.26 -4.48 105.19 101.60 1uf2 n GLY 665 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1uf2 n GLY 665 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf2 n GLY 666 N -2.15 -1.42 0.37 -0.02 0.00 -0.90 -3.85 105.19 97.23 1uf2 n GLY 666 Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1uf2 n GLY 666 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1uf2 h GLU 667 N 0.00 0.66 -0.75 1.61 9.09 -1.90 0.02 114.58 123.30 1uf2 h GLU 667 Ca 0.00 -0.04 0.02 0.00 0.05 0.00 0.00 59.36 59.39 1uf2 h GLU 667 Cb 0.57 -0.15 -0.04 0.00 -1.65 0.00 0.00 28.75 27.48 1uf2 h GLU 667 CO 0.00 0.44 0.50 -0.44 0.05 0.00 0.00 179.01 179.56 1uf2 h ASP 668 N 0.68 0.84 -0.08 3.06 3.32 -1.95 0.98 116.42 123.27 1uf2 h ASP 668 Ca 0.49 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.49 1uf2 h ASP 668 Cb 0.83 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1uf2 h ASP 668 CO -0.24 0.60 -0.06 0.40 -1.72 0.00 0.00 179.24 178.21 1uf2 h ILE 669 N 0.99 1.35 -0.56 0.35 5.03 -1.27 -1.05 117.51 122.35 1uf2 h ILE 669 Ca 0.29 -1.17 0.11 0.00 -0.12 0.00 0.00 64.86 63.97 1uf2 h ILE 669 Cb -0.06 1.95 -0.09 0.00 -3.03 0.00 0.00 36.82 35.60 1uf2 h ILE 669 CO -0.07 0.33 0.06 0.25 -0.68 0.00 0.00 178.15 178.04 1uf2 h LEU 670 N -0.22 -0.11 -0.07 1.44 5.85 -1.02 0.24 115.31 121.42 1uf2 h LEU 670 Ca 0.02 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1uf2 h LEU 670 Cb 0.55 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1uf2 h LEU 670 CO 0.02 -0.04 -0.15 0.40 -0.34 0.00 0.00 178.44 178.33 1uf2 h ILE 671 N 0.19 0.62 0.08 4.05 1.08 -0.69 0.66 117.51 123.49 1uf2 h ILE 671 Ca 0.29 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.78 1uf2 h ILE 671 Cb 0.44 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 1uf2 h ILE 671 CO -0.42 0.00 -0.26 -0.07 -0.69 0.00 0.00 178.15 176.71 1uf2 h LEU 672 N -0.21 -0.74 -1.22 1.44 3.38 0.39 -0.64 115.31 117.71 1uf2 h LEU 672 Ca 0.07 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1uf2 h LEU 672 Cb 0.31 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1uf2 h LEU 672 CO -0.19 -0.34 0.56 1.56 0.09 0.00 0.00 178.44 180.12 1uf2 h GLN 673 N -0.44 0.86 -0.62 1.13 4.20 -0.37 -0.75 115.11 119.11 1uf2 h GLN 673 Ca 0.04 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1uf2 h GLN 673 Cb 0.48 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1uf2 h GLN 673 CO -0.17 0.57 0.09 1.25 -0.67 0.00 0.00 178.83 179.90 1uf2 h LEU 674 N 0.88 0.97 0.06 1.46 5.85 -0.18 0.15 115.31 124.50 1uf2 h LEU 674 Ca 0.40 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1uf2 h LEU 674 Cb 0.37 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1uf2 h LEU 674 CO -0.16 0.97 -0.03 0.40 -0.34 0.00 0.00 178.44 179.29 1uf2 h ILE 675 N 0.96 0.95 -0.92 4.05 2.04 0.32 0.10 117.51 125.01 1uf2 h ILE 675 Ca 0.19 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 1uf2 h ILE 675 Cb 0.42 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1uf2 h ILE 675 CO 0.01 0.00 0.56 -0.09 0.00 0.00 0.00 178.15 178.63 1uf2 h ARG 676 N -0.08 1.24 0.72 2.37 9.65 -1.14 -0.23 114.38 126.92 1uf2 h ARG 676 Ca -0.01 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 1uf2 h ARG 676 Cb 0.06 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1uf2 h ARG 676 CO 0.01 0.86 -0.39 0.00 2.80 0.00 0.00 179.97 183.26 1uf2 h ALA 677 N 1.35 -1.04 -0.74 2.80 0.00 -0.46 -1.01 119.26 120.18 1uf2 h ALA 677 Ca 0.33 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1uf2 h ALA 677 Cb -0.06 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1uf2 h ALA 677 CO -0.06 -1.09 0.38 0.28 0.00 0.00 0.00 179.25 178.76 1uf2 h VAL 678 N -1.02 0.86 0.54 0.00 2.07 -0.79 -1.73 116.25 116.17 1uf2 h VAL 678 Ca -0.09 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1uf2 h VAL 678 Cb 0.81 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1uf2 h VAL 678 CO 0.13 0.12 -0.48 0.22 0.02 0.00 0.00 177.57 177.58 1uf2 h TYR 679 N 0.64 -1.30 -0.99 1.57 3.20 -0.79 0.05 116.97 119.34 1uf2 h TYR 679 Ca 0.36 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.46 1uf2 h TYR 679 Cb 0.37 0.50 -0.09 0.00 1.54 0.00 0.00 36.73 39.05 1uf2 h TYR 679 CO -0.10 -0.66 0.63 -0.44 -1.64 0.00 0.00 178.16 175.96 1uf2 h ASP 680 N -1.00 0.55 0.02 -2.11 3.32 -0.71 0.12 116.42 116.61 1uf2 h ASP 680 Ca -0.06 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1uf2 h ASP 680 Cb 0.86 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1uf2 h ASP 680 CO -0.03 0.16 -0.01 0.74 -1.72 0.00 0.00 179.24 178.38 1uf2 h THR 681 N 0.52 1.32 -0.87 0.35 2.02 -0.82 -0.52 112.91 114.90 1uf2 h THR 681 Ca 0.56 -1.05 0.12 0.00 0.77 0.00 0.00 66.41 66.81 1uf2 h THR 681 Cb 1.23 2.03 -0.09 0.00 -1.74 0.00 0.00 68.15 69.58 1uf2 h THR 681 CO -0.30 0.27 0.49 0.25 0.37 0.00 0.00 175.52 176.60 1uf2 h LEU 682 N -0.48 0.66 -0.29 2.58 5.85 0.21 0.17 115.31 124.02 1uf2 h LEU 682 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1uf2 h LEU 682 Cb 0.46 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1uf2 h LEU 682 CO 0.00 0.33 0.00 0.77 -0.34 0.00 0.00 178.44 179.20 1uf2 h SER 683 N 0.75 0.00 0.11 1.25 4.64 -0.70 -2.80 113.55 116.81 1uf2 h SER 683 Ca 0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.76 1uf2 h SER 683 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1uf2 h SER 683 CO -0.30 0.00 -0.05 -1.13 -0.87 0.00 0.00 176.83 174.47 1uf2 h ASN 684 N 0.00 -0.13 0.00 4.97 -0.73 0.68 -1.57 115.58 118.81 1uf2 h ASN 684 Ca 0.00 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 57.98 1uf2 h ASN 684 Cb 0.86 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1uf2 h ASN 684 CO 0.00 0.43 0.13 0.11 -0.37 0.00 0.00 177.43 177.73 1uf2 h LYS 685 N -1.01 0.00 0.02 6.67 6.56 -1.30 -1.46 116.57 126.05 1uf2 h LYS 685 Ca -0.02 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.25 1uf2 h LYS 685 Cb 0.31 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.92 1uf2 h LYS 685 CO 0.03 0.00 -1.91 -0.11 -2.06 0.00 0.00 179.45 175.40 1uf2 n LEU 686 N -2.44 1.12 0.00 2.94 7.94 -1.06 -4.98 117.00 120.52 1uf2 n LEU 686 Ca -0.02 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1uf2 n LEU 686 Cb 0.17 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1uf2 n LEU 686 CO 0.11 0.51 0.00 0.61 -1.11 0.00 0.00 177.39 177.51 1uf2 n GLY 687 N 1.70 3.04 1.33 -3.96 0.00 -0.55 -5.02 105.19 101.73 1uf2 n GLY 687 Ca -0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 1uf2 n GLY 687 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uf2 n ARG 688 N -1.50 0.33 -2.68 1.61 1.85 -1.17 -5.00 116.66 110.09 1uf2 n ARG 688 Ca 0.00 -0.98 -0.43 0.00 -1.00 0.00 0.00 57.85 55.44 1uf2 n ARG 688 Cb 0.00 1.04 -0.02 0.00 -1.05 0.00 0.00 32.46 32.42 1uf2 n ARG 688 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1uf2 s ASN 689 N -1.81 7.08 0.41 2.89 3.84 -1.26 -4.58 114.94 121.50 1uf2 s ASN 689 Ca 0.09 1.35 0.26 0.00 0.21 0.00 0.00 52.86 54.78 1uf2 s ASN 689 Cb -0.01 -2.53 1.38 0.00 -0.55 0.00 0.00 41.25 39.54 1uf2 s ASN 689 CO 0.07 -0.65 1.61 -0.65 -2.79 0.00 0.00 177.10 174.68 1uf2 h PRO 690 N 7.46 0.07 0.00 0.43 0.11 -1.91 0.67 132.00 138.83 1uf2 h PRO 690 Ca -0.20 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1uf2 h PRO 690 Cb 1.06 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1uf2 h PRO 690 CO 0.97 0.05 -0.09 0.00 -0.21 0.00 0.00 178.00 178.71 1uf2 h ALA 691 N 1.74 1.20 0.00 -0.75 0.00 -1.90 0.28 119.26 119.83 1uf2 h ALA 691 Ca 0.83 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.62 1uf2 h ALA 691 Cb 2.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.21 1uf2 h ALA 691 CO -0.55 0.12 -0.16 -0.44 0.00 0.00 0.00 179.25 178.22 1uf2 h ASP 692 N 0.00 0.00 0.00 0.00 5.19 -0.01 -3.33 116.42 118.27 1uf2 h ASP 692 Ca -0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 1uf2 h ASP 692 Cb 0.34 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 1uf2 h ASP 692 CO 0.01 0.16 -1.64 -0.38 -3.12 0.00 0.00 179.24 174.28 1uf2 n ILE 693 N -3.95 0.64 -4.57 0.35 5.41 -0.71 -5.08 119.36 111.46 1uf2 n ILE 693 Ca -0.02 -0.27 -0.27 0.00 1.00 0.00 0.00 62.75 63.20 1uf2 n ILE 693 Cb 0.25 -0.88 -0.11 0.00 -0.71 0.00 0.00 39.64 38.20 1uf2 n ILE 693 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1uf2 s PHE 694 N -2.22 2.43 0.18 1.39 0.40 0.91 -5.10 117.98 115.97 1uf2 s PHE 694 Ca -0.14 -0.56 -0.31 0.00 -0.60 0.00 0.00 56.93 55.33 1uf2 s PHE 694 Cb 0.04 -1.50 -0.09 0.00 0.51 0.00 0.00 43.02 41.97 1uf2 s PHE 694 CO 0.28 0.54 1.48 -1.01 0.70 0.00 0.00 175.22 177.20 1uf2 s HIS 695 N -2.65 3.10 0.29 0.36 3.76 -1.26 -4.35 115.29 114.54 1uf2 s HIS 695 Ca 0.33 0.84 0.01 0.00 -0.15 0.00 0.00 55.06 56.10 1uf2 s HIS 695 Cb 0.05 -3.82 0.69 0.00 1.11 0.00 0.00 32.58 30.61 1uf2 s HIS 695 CO 0.17 -2.89 1.62 1.25 -0.85 0.00 0.00 174.74 174.04 1uf2 h LEU 696 N 6.23 -0.17 -0.41 0.89 5.85 -1.93 0.14 115.31 125.92 1uf2 h LEU 696 Ca -0.44 0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.59 1uf2 h LEU 696 Cb 1.21 0.33 -0.09 0.00 0.37 0.00 0.00 40.66 42.48 1uf2 h LEU 696 CO 0.86 -0.22 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.21 1uf2 h GLU 697 N 0.13 -0.12 -0.69 1.25 3.07 -1.99 0.85 114.58 117.08 1uf2 h GLU 697 Ca 0.55 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.49 1uf2 h GLU 697 Cb 1.11 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 29.00 1uf2 h GLU 697 CO -0.72 -0.08 0.45 0.93 -1.40 0.00 0.00 179.01 178.19 1uf2 h GLU 698 N -0.12 0.63 0.10 2.33 4.39 -1.11 -1.08 114.58 119.72 1uf2 h GLU 698 Ca 0.20 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1uf2 h GLU 698 Cb 0.43 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1uf2 h GLU 698 CO -0.49 0.42 -0.05 0.28 -1.16 0.00 0.00 179.01 178.01 1uf2 h VAL 699 N 0.65 1.11 -0.62 3.13 2.07 -0.68 -3.23 116.25 118.69 1uf2 h VAL 699 Ca 0.31 -1.13 0.13 0.00 0.82 0.00 0.00 66.70 66.82 1uf2 h VAL 699 Cb 0.35 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.82 1uf2 h VAL 699 CO -0.10 0.26 0.03 -0.26 0.02 0.00 0.00 177.57 177.52 1uf2 h PHE 700 N -0.69 0.02 -1.05 1.57 0.05 -0.50 0.14 116.94 116.48 1uf2 h PHE 700 Ca -0.01 0.04 0.27 0.00 3.82 0.00 0.00 57.97 62.09 1uf2 h PHE 700 Cb 0.53 0.09 -0.08 0.00 2.00 0.00 0.00 35.95 38.49 1uf2 h PHE 700 CO 0.09 -0.14 0.69 -0.22 -0.18 0.00 0.00 178.31 178.55 1uf2 h LYS 701 N 0.15 0.32 -0.01 1.51 3.64 -1.23 0.61 116.57 121.56 1uf2 h LYS 701 Ca 0.32 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1uf2 h LYS 701 Cb 0.52 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1uf2 h LYS 701 CO -0.50 0.21 -0.16 0.28 -2.27 0.00 0.00 179.45 177.01 1uf2 h VAL 702 N 0.33 1.54 -0.43 2.00 2.07 -0.77 -2.73 116.25 118.25 1uf2 h VAL 702 Ca 0.58 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1uf2 h VAL 702 Cb 1.60 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.99 1uf2 h VAL 702 CO -0.24 0.49 0.17 0.40 0.02 0.00 0.00 177.57 178.41 1uf2 h ILE 703 N -0.53 0.90 0.07 4.57 2.04 -0.21 -1.69 117.51 122.66 1uf2 h ILE 703 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1uf2 h ILE 703 Cb 0.88 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1uf2 h ILE 703 CO 0.03 0.06 -0.17 -0.33 0.00 0.00 0.00 178.15 177.75 1uf2 h GLU 704 N 0.36 -0.25 -0.97 2.37 5.08 0.07 0.77 114.58 122.01 1uf2 h GLU 704 Ca 0.19 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.80 1uf2 h GLU 704 Cb 0.16 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.28 1uf2 h GLU 704 CO -0.18 -0.17 -0.12 0.39 -1.00 0.00 0.00 179.01 177.93 1uf2 n GLU 705 N -3.38 -0.08 0.00 2.33 1.02 -1.03 -0.60 120.64 118.90 1uf2 n GLU 705 Ca -0.03 1.48 0.00 0.00 -0.02 0.00 0.00 57.16 58.59 1uf2 n GLU 705 Cb 0.13 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 1uf2 n GLU 705 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1uf2 n ILE 706 N -5.51 0.00 -0.33 -3.67 5.41 -0.65 -2.70 119.36 111.91 1uf2 n ILE 706 Ca 0.19 1.14 0.07 0.00 1.00 0.00 0.00 62.75 65.15 1uf2 n ILE 706 Cb 0.60 -2.10 0.16 0.00 -0.71 0.00 0.00 39.64 37.59 1uf2 n ILE 706 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1uf2 n VAL 707 N -1.80 -0.39 -0.08 1.39 0.31 0.21 0.19 118.33 118.16 1uf2 n VAL 707 Ca 0.00 2.11 0.15 0.00 -0.01 0.00 0.00 64.34 66.59 1uf2 n VAL 707 Cb 0.00 -2.95 0.56 0.00 -0.91 0.00 0.00 33.84 30.54 1uf2 n VAL 707 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1uf2 h SER 708 N 0.00 0.26 0.78 4.52 4.64 -0.89 0.19 113.55 123.05 1uf2 h SER 708 Ca 0.47 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.69 1uf2 h SER 708 Cb 0.78 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1uf2 h SER 708 CO -0.94 0.15 -0.51 0.58 -0.87 0.00 0.00 176.83 175.23 1uf2 h VAL 709 N 0.28 1.16 0.00 0.95 2.07 0.22 0.20 116.25 121.14 1uf2 h VAL 709 Ca 0.29 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1uf2 h VAL 709 Cb 0.77 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1uf2 h VAL 709 CO -0.07 0.50 -0.04 -0.07 0.02 0.00 0.00 177.57 177.91 1uf2 h LEU 710 N 0.00 0.00 -2.14 2.57 3.38 -0.28 -3.32 115.31 115.52 1uf2 h LEU 710 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uf2 h LEU 710 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1uf2 h LEU 710 CO 0.07 0.04 0.00 1.33 0.09 0.00 0.00 178.44 179.97 1uf2 n VAL 711 N -3.13 0.58 -3.67 1.22 0.24 -0.92 -4.71 118.33 107.95 1uf2 n VAL 711 Ca 0.02 -0.60 -0.27 0.00 -2.04 0.00 0.00 64.34 61.45 1uf2 n VAL 711 Cb 0.44 0.73 0.03 0.00 -1.47 0.00 0.00 33.84 33.57 1uf2 n VAL 711 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uf2 n GLN 712 N -0.29 -1.18 -3.62 7.34 1.13 0.67 -2.84 117.38 118.60 1uf2 n GLN 712 Ca 0.00 0.63 0.02 0.00 -1.94 0.00 0.00 57.00 55.71 1uf2 n GLN 712 Cb 0.33 -3.74 -0.06 0.00 0.11 0.00 0.00 30.24 26.88 1uf2 n GLN 712 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1uf2 s GLN 713 N -5.49 0.06 -0.24 -1.09 0.74 -1.03 -4.74 119.66 107.87 1uf2 s GLN 713 Ca 0.30 0.11 -0.32 0.00 0.05 0.00 0.00 55.36 55.50 1uf2 s GLN 713 Cb -0.12 0.02 -0.09 0.00 1.10 0.00 0.00 33.01 33.92 1uf2 s GLN 713 CO 0.87 -0.01 2.15 1.63 -0.55 0.00 0.00 175.29 179.37 1uf2 n LYS 714 N 3.21 1.68 -4.14 1.67 5.02 -1.26 -4.44 118.16 119.89 1uf2 n LYS 714 Ca -0.17 0.50 -0.28 0.00 -2.02 0.00 0.00 58.31 56.34 1uf2 n LYS 714 Cb 0.56 -2.83 -0.07 0.00 -0.02 0.00 0.00 35.03 32.67 1uf2 n LYS 714 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1uf2 s ILE 715 N 7.13 4.05 -0.35 -0.18 1.10 -1.26 -5.08 121.20 126.60 1uf2 s ILE 715 Ca 1.03 -1.12 0.01 0.00 -0.51 0.00 0.00 60.65 60.05 1uf2 s ILE 715 Cb -0.60 -2.99 0.11 0.00 0.15 0.00 0.00 42.46 39.13 1uf2 s ILE 715 CO 0.44 0.01 0.14 -0.62 -2.11 0.00 0.00 174.94 172.79 1uf2 s ASP 716 N -2.65 3.98 0.24 4.50 2.15 -1.26 -4.87 116.67 118.76 1uf2 s ASP 716 Ca 0.27 -1.99 -0.10 0.00 0.43 0.00 0.00 52.55 51.17 1uf2 s ASP 716 Cb -0.11 -0.98 0.37 0.00 -0.30 0.00 0.00 42.92 41.89 1uf2 s ASP 716 CO 0.20 -0.37 1.61 0.58 -0.17 0.00 0.00 175.17 177.02 1uf2 h VAL 717 N 6.12 0.26 -0.00 1.11 2.07 -1.98 -2.98 116.25 120.85 1uf2 h VAL 717 Ca -0.09 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1uf2 h VAL 717 Cb 0.99 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1uf2 h VAL 717 CO 0.48 0.01 -0.00 0.54 0.02 0.00 0.00 177.57 178.61 1uf2 n ARG 718 N -5.46 -0.00 -0.54 1.57 3.00 -1.26 -1.78 116.66 112.20 1uf2 n ARG 718 Ca 0.12 0.82 0.45 0.00 -0.01 0.00 0.00 57.85 59.22 1uf2 n ARG 718 Cb 0.43 -1.23 0.78 0.00 0.00 0.00 0.00 32.46 32.44 1uf2 n ARG 718 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1uf2 h LYS 719 N 0.00 0.01 0.00 5.56 2.10 -1.88 -0.33 116.57 122.03 1uf2 h LYS 719 Ca 0.00 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1uf2 h LYS 719 Cb 0.00 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1uf2 h LYS 719 CO -0.00 0.01 -0.24 1.88 -2.00 0.00 0.00 179.45 179.09 1uf2 h TYR 720 N 0.01 0.00 -2.37 0.07 -1.99 -1.50 -3.33 116.97 107.87 1uf2 h TYR 720 Ca 0.78 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.85 1uf2 h TYR 720 Cb 3.08 0.00 -0.37 0.00 2.00 0.00 0.00 36.73 41.43 1uf2 h TYR 720 CO -0.00 0.24 -0.14 1.19 -0.00 0.00 0.00 178.16 179.45 1uf2 n PHE 721 N -3.86 3.36 -2.28 4.88 3.01 -0.14 -4.05 117.46 118.39 1uf2 n PHE 721 Ca -0.02 -3.62 -0.25 0.00 1.01 0.00 0.00 57.45 54.57 1uf2 n PHE 721 Cb 0.33 -0.76 0.09 0.00 -0.01 0.00 0.00 39.48 39.14 1uf2 n PHE 721 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1uf2 s THR 722 N -3.20 2.25 0.04 4.37 -4.23 -1.25 -1.32 115.64 112.30 1uf2 s THR 722 Ca 0.40 -0.33 -0.19 0.00 -1.18 0.00 0.00 61.69 60.39 1uf2 s THR 722 Cb 0.16 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.92 1uf2 s THR 722 CO -0.03 0.00 1.26 -0.08 -0.54 0.00 0.00 174.62 175.23 1uf2 h GLU 723 N -0.66 0.46 0.00 3.99 4.57 -1.41 -3.42 114.58 118.11 1uf2 h GLU 723 Ca -0.43 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 1uf2 h GLU 723 Cb 1.30 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1uf2 h GLU 723 CO 0.53 0.94 0.00 -1.13 -1.18 0.00 0.00 179.01 178.17 1uf2 n SER 724 N -4.36 0.00 0.13 1.04 3.41 -1.23 -5.00 113.62 107.62 1uf2 n SER 724 Ca -0.07 -0.68 0.06 0.00 -0.26 0.00 0.00 58.87 57.92 1uf2 n SER 724 Cb 0.51 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1uf2 n SER 724 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1uf2 h MET 725 N 0.00 0.00 0.05 4.33 2.86 -1.92 -3.33 114.93 116.92 1uf2 h MET 725 Ca 0.00 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.33 1uf2 h MET 725 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1uf2 h MET 725 CO 0.00 0.23 -1.73 0.00 1.06 0.00 0.00 176.91 176.47 1uf2 h ARG 726 N 0.00 0.11 -5.31 1.72 3.08 -1.96 -3.46 114.38 108.57 1uf2 h ARG 726 Ca -0.03 -0.19 -0.61 0.00 0.07 0.00 0.00 59.98 59.21 1uf2 h ARG 726 Cb 1.25 0.07 -0.13 0.00 0.08 0.00 0.00 29.97 31.24 1uf2 h ARG 726 CO 0.03 0.82 -0.52 0.45 -1.07 0.00 0.00 179.97 179.68 1uf2 s SER 727 N -6.52 5.97 0.00 7.04 0.15 -1.25 -4.99 113.70 114.10 1uf2 s SER 727 Ca -0.10 0.18 0.17 0.00 0.70 0.00 0.00 55.95 56.90 1uf2 s SER 727 Cb 0.07 -2.03 0.51 0.00 -1.71 0.00 0.00 66.02 62.87 1uf2 s SER 727 CO 0.81 0.20 1.40 0.61 1.20 0.00 0.00 173.24 177.46 1uf2 n GLY 728 N 3.40 0.75 3.77 9.45 0.00 -1.26 -3.35 105.19 117.95 1uf2 n GLY 728 Ca -0.17 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 1uf2 n GLY 728 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uf2 s SER 729 N -1.25 6.19 0.27 1.61 0.01 -1.26 -4.81 113.70 114.47 1uf2 s SER 729 Ca 0.30 2.71 -0.29 0.00 1.31 0.00 0.00 55.95 59.98 1uf2 s SER 729 Cb 0.16 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 1uf2 s SER 729 CO 0.23 -0.94 1.24 0.12 0.41 0.00 0.00 173.24 174.29 1uf2 s PHE 730 N -1.25 3.29 -0.80 2.43 5.36 -1.26 -2.01 117.98 123.73 1uf2 s PHE 730 Ca 0.58 1.46 -0.02 0.00 -0.96 0.00 0.00 56.93 57.98 1uf2 s PHE 730 Cb -0.39 -3.52 0.20 0.00 -0.34 0.00 0.00 43.02 38.97 1uf2 s PHE 730 CO 0.50 -1.41 0.66 0.45 -1.46 0.00 0.00 175.22 173.97 1uf2 s SER 731 N -0.36 5.76 0.35 6.13 0.15 -0.44 -4.82 113.70 120.47 1uf2 s SER 731 Ca 0.50 -3.41 0.14 0.00 0.70 0.00 0.00 55.95 53.88 1uf2 s SER 731 Cb -0.36 -1.90 1.13 0.00 -1.71 0.00 0.00 66.02 63.18 1uf2 s SER 731 CO 0.44 -0.26 1.59 0.50 1.20 0.00 0.00 173.24 176.72 1uf2 h LYS 732 N 6.39 0.04 -0.31 5.44 3.11 -1.94 0.62 116.57 129.93 1uf2 h LYS 732 Ca 0.10 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1uf2 h LYS 732 Cb 0.87 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 1uf2 h LYS 732 CO 0.80 0.03 0.20 -1.35 -2.81 0.00 0.00 179.45 176.32 1uf2 h PRO 733 N 0.05 0.42 -0.78 1.90 0.11 -1.97 0.15 132.00 131.88 1uf2 h PRO 733 Ca 0.76 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.85 1uf2 h PRO 733 Cb 1.86 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.84 1uf2 h PRO 733 CO -0.79 0.30 0.51 -0.09 -0.21 0.00 0.00 178.00 177.72 1uf2 h ARG 734 N 0.41 0.99 -0.22 1.05 2.43 -0.16 -0.74 114.38 118.15 1uf2 h ARG 734 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1uf2 h ARG 734 Cb -0.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1uf2 h ARG 734 CO -0.02 0.66 0.03 2.35 -1.51 0.00 0.00 179.97 181.47 1uf2 h TRP 735 N 1.02 0.40 -0.97 2.20 2.91 -0.56 -2.19 115.95 118.77 1uf2 h TRP 735 Ca 0.29 -0.06 0.07 0.00 1.13 0.00 0.00 58.89 60.32 1uf2 h TRP 735 Cb -0.07 -0.11 -0.07 0.00 -0.51 0.00 0.00 29.16 28.40 1uf2 h TRP 735 CO -0.00 0.52 0.62 -0.44 -1.03 0.00 0.00 178.44 178.11 1uf2 h ASP 736 N 0.17 0.99 0.44 2.65 3.32 0.25 -0.37 116.42 123.86 1uf2 h ASP 736 Ca 0.07 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1uf2 h ASP 736 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1uf2 h ASP 736 CO 0.01 0.62 -0.40 0.78 -1.72 0.00 0.00 179.24 178.52 1uf2 h ASN 737 N 1.12 0.00 -0.63 6.45 2.35 -1.00 0.62 115.58 124.49 1uf2 h ASN 737 Ca 0.42 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.10 1uf2 h ASN 737 Cb 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1uf2 h ASN 737 CO -0.18 0.40 0.12 0.15 -1.65 0.00 0.00 177.43 176.27 1uf2 h PHE 738 N 0.00 1.09 0.00 1.19 3.57 -0.44 -2.26 116.94 120.10 1uf2 h PHE 738 Ca -0.00 -0.15 -0.19 0.00 3.53 0.00 0.00 57.97 61.16 1uf2 h PHE 738 Cb 0.73 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1uf2 h PHE 738 CO 0.00 0.93 -0.88 -0.07 -2.23 0.00 0.00 178.31 176.06 1uf2 h LEU 739 N 0.95 0.05 -1.28 0.59 3.38 -0.96 -3.21 115.31 114.83 1uf2 h LEU 739 Ca 0.19 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1uf2 h LEU 739 Cb 0.41 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1uf2 h LEU 739 CO 0.01 0.90 -0.25 -0.09 0.09 0.00 0.00 178.44 179.11 1uf2 h ARG 740 N 0.02 0.00 -6.84 1.13 2.43 -0.62 -3.44 114.38 107.06 1uf2 h ARG 740 Ca -0.02 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.64 1uf2 h ARG 740 Cb 1.54 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 31.13 1uf2 h ARG 740 CO 0.12 0.25 0.54 0.50 -1.51 0.00 0.00 179.97 179.86 1uf2 s ARG 741 N -3.81 4.52 0.64 0.20 3.52 -0.87 -5.02 118.95 118.13 1uf2 s ARG 741 Ca -0.01 1.97 -0.12 0.00 -0.13 0.00 0.00 55.73 57.44 1uf2 s ARG 741 Cb 0.11 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 1uf2 s ARG 741 CO 0.64 0.05 1.04 -1.25 -0.81 0.00 0.00 175.30 174.97 1uf2 s PRO 742 N -1.59 3.32 -0.40 5.12 0.04 -1.26 -4.99 135.00 135.23 1uf2 s PRO 742 Ca 0.46 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1uf2 s PRO 742 Cb -0.35 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.17 1uf2 s PRO 742 CO 0.46 -0.79 0.90 0.08 0.04 0.00 0.00 177.00 177.68 1uf2 s VAL 743 N -2.95 4.58 -0.07 -0.36 1.01 -1.26 -4.95 120.40 116.39 1uf2 s VAL 743 Ca 0.58 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 1uf2 s VAL 743 Cb -0.13 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1uf2 s VAL 743 CO 0.49 -0.62 0.09 0.00 0.00 0.00 0.00 175.10 175.06 1uf2 h ALA 744 N 8.68 -0.08 -2.92 5.51 0.00 -2.01 -3.47 119.26 124.98 1uf2 h ALA 744 Ca -0.24 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.05 1uf2 h ALA 744 Cb 1.08 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1uf2 h ALA 744 CO 0.98 -0.07 -0.54 -0.65 0.00 0.00 0.00 179.25 178.97 1uf2 s GLN 745 N -1.67 3.15 0.74 0.00 -1.52 -1.26 -5.10 119.66 113.99 1uf2 s GLN 745 Ca -0.01 -0.63 -0.11 0.00 -1.95 0.00 0.00 55.36 52.66 1uf2 s GLN 745 Cb 0.00 -2.85 0.03 0.00 -0.22 0.00 0.00 33.01 29.98 1uf2 s GLN 745 CO 0.03 0.56 1.08 1.03 -0.25 0.00 0.00 175.29 177.74 1uf2 s ARG 746 N -2.68 2.56 0.84 2.91 1.81 -1.26 -4.94 118.95 118.18 1uf2 s ARG 746 Ca 0.32 1.09 -0.12 0.00 -1.72 0.00 0.00 55.73 55.31 1uf2 s ARG 746 Cb -0.12 -1.94 0.09 0.00 -0.45 0.00 0.00 34.95 32.54 1uf2 s ARG 746 CO 0.25 -1.40 1.11 -0.51 -0.68 0.00 0.00 175.30 174.06 1uf2 s LEU 747 N -5.72 2.41 0.72 2.53 1.43 -1.26 -4.89 118.68 113.90 1uf2 s LEU 747 Ca 0.60 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.78 1uf2 s LEU 747 Cb -0.16 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.34 1uf2 s LEU 747 CO 0.55 -2.18 1.21 -2.84 0.23 0.00 0.00 176.35 173.31 1uf2 s PRO 748 N -5.17 2.20 0.17 1.29 0.02 -1.26 -4.80 135.00 127.45 1uf2 s PRO 748 Ca 0.62 1.76 -0.15 0.00 0.02 0.00 0.00 61.00 63.24 1uf2 s PRO 748 Cb -0.15 -1.84 0.11 0.00 0.02 0.00 0.00 34.50 32.64 1uf2 s PRO 748 CO 0.54 -1.79 1.72 -0.97 -0.33 0.00 0.00 177.00 176.17 1uf2 h ASN 749 N -0.22 -0.02 -0.61 2.53 -1.24 -1.94 -2.76 115.58 111.31 1uf2 h ASN 749 Ca -0.48 0.07 0.08 0.00 0.71 0.00 0.00 56.30 56.69 1uf2 h ASN 749 Cb 1.30 0.10 -0.11 0.00 0.73 0.00 0.00 38.32 40.34 1uf2 h ASN 749 CO 0.50 0.02 -0.48 0.25 -1.29 0.00 0.00 177.43 176.44 1uf2 h LEU 750 N 0.19 -1.65 -1.15 0.34 5.85 -1.90 -0.33 115.31 116.66 1uf2 h LEU 750 Ca 0.19 0.26 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1uf2 h LEU 750 Cb 0.24 0.73 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1uf2 h LEU 750 CO -0.27 -0.34 0.58 1.88 -0.34 0.00 0.00 178.44 179.96 1uf2 h TYR 751 N -0.23 1.08 -0.54 1.25 -1.99 -1.90 -1.50 116.97 113.14 1uf2 h TYR 751 Ca 0.16 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.86 1uf2 h TYR 751 Cb 0.56 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1uf2 h TYR 751 CO -0.76 0.66 0.10 1.03 -0.00 0.00 0.00 178.16 179.19 1uf2 h SER 752 N 1.15 0.85 0.09 3.88 0.87 -0.86 -1.11 113.55 118.41 1uf2 h SER 752 Ca 0.33 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1uf2 h SER 752 Cb -0.07 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1uf2 h SER 752 CO -0.08 0.88 -0.04 0.58 -0.53 0.00 0.00 176.83 177.64 1uf2 h VAL 753 N 0.78 1.07 -0.35 2.23 2.07 -0.74 -1.29 116.25 120.02 1uf2 h VAL 753 Ca 0.17 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1uf2 h VAL 753 Cb 0.38 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1uf2 h VAL 753 CO 0.01 0.14 -0.11 0.40 0.02 0.00 0.00 177.57 178.03 1uf2 h ILE 754 N -0.38 0.60 -0.25 4.57 2.04 -1.20 0.48 117.51 123.38 1uf2 h ILE 754 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1uf2 h ILE 754 Cb 0.32 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1uf2 h ILE 754 CO 0.02 0.00 0.02 0.24 0.00 0.00 0.00 178.15 178.43 1uf2 h MET 755 N -0.03 0.37 -0.20 2.37 2.86 -1.15 -0.38 114.93 118.77 1uf2 h MET 755 Ca 0.17 -0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 57.54 1uf2 h MET 755 Cb 0.29 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.90 1uf2 h MET 755 CO -0.38 0.38 -0.70 1.15 1.06 0.00 0.00 176.91 178.43 1uf2 h THR 756 N 0.36 1.28 0.00 2.22 2.02 0.15 -1.76 112.91 117.18 1uf2 h THR 756 Ca 0.08 -1.89 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 1uf2 h THR 756 Cb 0.21 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1uf2 h THR 756 CO 0.00 0.61 -0.08 1.56 0.37 0.00 0.00 175.52 177.98 1uf2 h GLN 757 N 0.58 0.00 0.20 6.66 7.50 0.69 -1.78 115.11 128.95 1uf2 h GLN 757 Ca -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1uf2 h GLN 757 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.85 1uf2 h GLN 757 CO 0.15 0.08 -0.10 0.00 -1.50 0.00 0.00 178.83 177.45 1uf2 h ALA 758 N 1.92 -0.27 -0.91 3.87 0.00 -0.59 -2.71 119.26 120.57 1uf2 h ALA 758 Ca -0.00 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.88 1uf2 h ALA 758 Cb 0.17 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 1uf2 h ALA 758 CO 0.01 -0.41 0.48 -0.44 0.00 0.00 0.00 179.25 178.90 1uf2 h ASP 759 N -0.77 0.57 -0.45 0.00 5.19 -0.73 0.11 116.42 120.34 1uf2 h ASP 759 Ca -0.03 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1uf2 h ASP 759 Cb 0.51 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1uf2 h ASP 759 CO 0.05 0.18 0.22 0.45 -3.12 0.00 0.00 179.24 177.02 1uf2 h HIS 760 N 0.61 0.64 -0.41 4.55 3.86 -1.32 -0.48 115.15 122.59 1uf2 h HIS 760 Ca 0.53 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.72 1uf2 h HIS 760 Cb 0.84 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 1uf2 h HIS 760 CO -0.07 0.51 0.27 0.28 0.86 0.00 0.00 177.93 179.77 1uf2 h VAL 761 N 0.58 1.09 -0.25 2.45 2.07 -0.61 0.16 116.25 121.74 1uf2 h VAL 761 Ca 0.16 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1uf2 h VAL 761 Cb 0.10 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1uf2 h VAL 761 CO -0.02 0.10 -0.10 0.22 0.02 0.00 0.00 177.57 177.79 1uf2 h TYR 762 N 0.54 -0.23 -0.32 1.57 3.20 -0.31 0.28 116.97 121.70 1uf2 h TYR 762 Ca 0.15 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1uf2 h TYR 762 Cb -0.05 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1uf2 h TYR 762 CO -0.05 -0.16 0.05 -0.91 -1.64 0.00 0.00 178.16 175.45 1uf2 h ASN 763 N -0.05 0.43 -0.11 -2.11 2.35 -0.64 0.23 115.58 115.68 1uf2 h ASN 763 Ca 0.13 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1uf2 h ASN 763 Cb 0.25 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1uf2 h ASN 763 CO -0.29 0.46 0.03 0.22 -1.65 0.00 0.00 177.43 176.20 1uf2 h TYR 764 N 0.46 0.17 -0.01 1.19 3.20 0.57 -1.81 116.97 120.74 1uf2 h TYR 764 Ca 0.11 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1uf2 h TYR 764 Cb 0.22 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1uf2 h TYR 764 CO 0.01 0.31 0.00 0.52 -1.64 0.00 0.00 178.16 177.36 1uf2 h MET 765 N -0.01 0.02 -1.12 1.82 2.86 -0.65 -2.18 114.93 115.67 1uf2 h MET 765 Ca 0.03 -0.00 0.34 0.00 -2.06 0.00 0.00 59.70 58.01 1uf2 h MET 765 Cb 0.22 -0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.75 1uf2 h MET 765 CO -0.00 0.24 0.69 1.15 1.06 0.00 0.00 176.91 180.05 1uf2 h THR 766 N -0.21 0.31 -0.16 2.22 2.02 -0.44 0.71 112.91 117.36 1uf2 h THR 766 Ca 0.00 -0.09 -0.22 0.00 0.77 0.00 0.00 66.41 66.87 1uf2 h THR 766 Cb 0.23 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1uf2 h THR 766 CO 0.00 0.05 -0.78 -0.61 0.37 0.00 0.00 175.52 174.55 1uf2 h GLN 767 N 0.27 0.80 0.00 6.66 5.75 -0.79 -2.80 115.11 125.00 1uf2 h GLN 767 Ca 0.72 -0.66 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1uf2 h GLN 767 Cb 1.92 0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.61 1uf2 h GLN 767 CO -0.45 1.26 0.00 1.28 -2.65 0.00 0.00 178.83 178.27 1uf2 n LEU 768 N -3.94 0.00 -0.04 -2.39 4.77 0.24 -2.00 117.00 113.65 1uf2 n LEU 768 Ca -0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 1uf2 n LEU 768 Cb 0.75 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 1uf2 n LEU 768 CO 0.53 0.00 0.36 0.74 -1.33 0.00 0.00 177.39 177.69 1uf2 h THR 769 N 0.00 1.30 0.00 -5.08 2.02 -1.20 -3.19 112.91 106.77 1uf2 h THR 769 Ca 0.00 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1uf2 h THR 769 Cb 0.00 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1uf2 h THR 769 CO 0.00 0.57 0.00 1.41 0.37 0.00 0.00 175.52 177.87 1uf2 n HIS 770 N -4.07 0.00 0.35 3.16 8.25 -0.84 -2.36 115.22 119.70 1uf2 n HIS 770 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1uf2 n HIS 770 Cb 0.65 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.73 1uf2 n HIS 770 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1uf2 n ILE 771 N -0.95 0.00 -1.78 1.59 -5.35 -1.20 -5.00 119.36 106.67 1uf2 n ILE 771 Ca 0.06 -0.34 -0.32 0.00 -0.27 0.00 0.00 62.75 61.88 1uf2 n ILE 771 Cb 0.03 1.01 0.04 0.00 -1.74 0.00 0.00 39.64 38.97 1uf2 n ILE 771 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1uf2 s ILE 772 N -1.63 3.79 -1.07 7.28 -4.36 -1.00 -4.91 121.20 119.31 1uf2 s ILE 772 Ca 0.03 0.72 -0.23 0.00 -0.26 0.00 0.00 60.65 60.91 1uf2 s ILE 772 Cb 0.06 -3.32 -0.06 0.00 1.25 0.00 0.00 42.46 40.39 1uf2 s ILE 772 CO 0.29 -0.62 1.91 -2.84 0.24 0.00 0.00 174.94 173.92 1uf2 s PRO 773 N -4.50 2.62 -0.13 0.37 0.02 -1.26 -4.94 135.00 127.18 1uf2 s PRO 773 Ca 0.62 -0.84 -0.05 0.00 0.02 0.00 0.00 61.00 60.74 1uf2 s PRO 773 Cb -0.16 -5.19 0.06 0.00 0.02 0.00 0.00 34.50 29.24 1uf2 s PRO 773 CO 0.45 -3.60 0.28 0.42 -0.33 0.00 0.00 177.00 174.23 1uf2 s ILE 774 N 10.13 -0.31 0.21 2.83 1.01 -1.26 -2.72 121.20 131.08 1uf2 s ILE 774 Ca 0.68 0.22 0.07 0.00 0.00 0.00 0.00 60.65 61.62 1uf2 s ILE 774 Cb -0.03 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1uf2 s ILE 774 CO 0.06 0.09 0.08 -0.89 0.00 0.00 0.00 174.94 174.29 1uf2 s THR 775 N 2.07 4.05 -2.27 2.92 2.01 -0.32 -4.97 115.64 119.12 1uf2 s THR 775 Ca -0.03 -1.43 0.24 0.00 0.31 0.00 0.00 61.69 60.78 1uf2 s THR 775 Cb -0.11 -3.11 0.53 0.00 0.01 0.00 0.00 72.50 69.82 1uf2 s THR 775 CO -0.09 -0.22 1.69 -0.90 -0.69 0.00 0.00 174.62 174.40 1uf2 n ASP 776 N -0.61 1.22 -3.57 3.53 3.85 -1.26 -1.97 116.55 117.74 1uf2 n ASP 776 Ca -0.08 -1.54 -0.10 0.00 -0.71 0.00 0.00 54.79 52.36 1uf2 n ASP 776 Cb 0.56 -0.05 -0.05 0.00 -1.35 0.00 0.00 41.12 40.24 1uf2 n ASP 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1uf2 s PHE 778 N -1.36 1.06 0.09 0.00 -0.12 -0.59 -4.93 117.98 112.14 1uf2 s PHE 778 Ca -0.00 -0.67 0.05 0.00 -0.05 0.00 0.00 56.93 56.25 1uf2 s PHE 778 Cb -0.01 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 1uf2 s PHE 778 CO 0.00 -0.00 -0.01 0.71 -0.05 0.00 0.00 175.22 175.87 1uf2 s TYR 779 N -2.54 2.98 -0.12 3.49 1.51 -0.16 -1.20 117.35 121.30 1uf2 s TYR 779 Ca 0.06 -0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 1uf2 s TYR 779 Cb -0.02 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 1uf2 s TYR 779 CO -0.00 0.48 -0.09 0.42 -1.11 0.00 0.00 175.55 175.25 1uf2 s ILE 780 N -1.30 3.46 -0.08 2.71 1.01 0.79 -1.36 121.20 126.43 1uf2 s ILE 780 Ca 0.25 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 1uf2 s ILE 780 Cb -0.12 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.94 1uf2 s ILE 780 CO 0.18 0.53 0.49 0.54 0.00 0.00 0.00 174.94 176.68 1uf2 s VAL 781 N 0.04 0.02 0.19 2.92 0.11 0.31 -0.57 120.40 123.43 1uf2 s VAL 781 Ca -0.02 -0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 1uf2 s VAL 781 Cb -0.14 -0.76 0.16 0.00 -1.53 0.00 0.00 36.38 34.11 1uf2 s VAL 781 CO 0.04 -0.10 1.61 0.11 -3.33 0.00 0.00 175.10 173.43 1uf2 h LYS 782 N 4.08 -0.11 -1.95 1.54 1.79 -1.82 -3.37 116.57 116.73 1uf2 h LYS 782 Ca -0.28 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 1uf2 h LYS 782 Cb 1.16 0.02 -0.20 0.00 -1.58 0.00 0.00 32.23 31.64 1uf2 h LYS 782 CO 0.33 -0.07 0.28 1.21 -1.08 0.00 0.00 179.45 180.11 1uf2 s ASN 783 N -5.17 -0.59 0.13 0.86 3.04 -1.26 -4.75 114.94 107.20 1uf2 s ASN 783 Ca -0.14 0.61 -0.26 0.00 0.04 0.00 0.00 52.86 53.11 1uf2 s ASN 783 Cb 0.17 0.49 0.07 0.00 -1.54 0.00 0.00 41.25 40.43 1uf2 s ASN 783 CO 0.71 -0.57 0.95 -0.94 -3.04 0.00 0.00 177.10 174.22 1uf2 s SER 784 N -1.26 -0.20 0.00 -4.21 1.04 -1.14 -4.76 113.70 103.17 1uf2 s SER 784 Ca -0.08 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1uf2 s SER 784 Cb -0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1uf2 s SER 784 CO 0.07 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1uf2 n GLY 785 N -0.44 -0.19 2.99 7.32 0.00 -1.26 -0.97 105.19 112.64 1uf2 n GLY 785 Ca -0.06 -1.18 -0.11 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 -0.69 -0.09 1.61 5.36 -0.82 -4.62 117.98 116.73 1uf2 s PHE 786 Ca 0.00 0.94 0.03 0.00 -0.96 0.00 0.00 56.93 56.94 1uf2 s PHE 786 Cb 0.00 0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.72 1uf2 s PHE 786 CO 0.00 -0.60 -0.18 0.08 -1.46 0.00 0.00 175.22 173.06 1uf2 s VAL 787 N 2.52 1.64 -0.52 3.12 1.01 -1.26 -0.70 120.40 126.20 1uf2 s VAL 787 Ca 0.07 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1uf2 s VAL 787 Cb -0.14 -1.44 0.27 0.00 0.00 0.00 0.00 36.38 35.07 1uf2 s VAL 787 CO -0.14 0.47 0.70 -0.67 0.00 0.00 0.00 175.10 175.46 1uf2 n ASP 788 N 3.70 2.32 -4.76 3.32 2.03 -0.59 -4.82 116.55 117.75 1uf2 n ASP 788 Ca -0.21 -3.18 -0.36 0.00 0.52 0.00 0.00 54.79 51.57 1uf2 n ASP 788 Cb 0.52 -0.64 0.03 0.00 -0.72 0.00 0.00 41.12 40.31 1uf2 n ASP 788 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1uf2 s ARG 789 N -2.18 3.04 0.00 -0.67 3.52 -1.26 -2.91 118.95 118.49 1uf2 s ARG 789 Ca 0.40 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 1uf2 s ARG 789 Cb 0.20 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.62 1uf2 s ARG 789 CO -0.07 -1.15 0.00 0.41 -0.81 0.00 0.00 175.30 173.68 1uf2 n GLY 790 N 0.50 2.80 3.72 8.12 0.00 -1.25 -2.75 105.19 116.32 1uf2 n GLY 790 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.47 3.72 0.00 1.61 0.15 -1.14 -4.52 113.70 110.05 1uf2 s SER 791 Ca 0.00 2.00 0.09 0.00 0.70 0.00 0.00 55.95 58.74 1uf2 s SER 791 Cb 0.00 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1uf2 s SER 791 CO 0.00 -2.56 0.68 0.35 1.20 0.00 0.00 173.24 172.91 1uf2 n THR 792 N -3.87 0.00 -0.66 6.45 -2.24 -1.26 -4.58 114.28 108.12 1uf2 n THR 792 Ca 0.10 -0.45 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 1uf2 n THR 792 Cb 0.53 1.14 0.27 0.00 -2.10 0.00 0.00 70.33 70.17 1uf2 n THR 792 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uf2 s GLY 793 N -1.06 1.48 0.18 3.38 0.00 -1.26 -4.63 107.32 105.41 1uf2 s GLY 793 Ca 0.09 -0.93 0.18 0.00 0.00 0.00 0.00 44.72 44.06 1uf2 s GLY 793 CO 0.18 0.06 1.11 -2.55 0.00 0.00 0.00 173.10 171.89 1uf2 h PRO 794 N -3.15 0.00 -5.03 2.90 0.11 -1.95 -3.42 132.00 121.46 1uf2 h PRO 794 Ca -0.43 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.05 1uf2 h PRO 794 Cb 1.32 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.25 1uf2 h PRO 794 CO 0.28 0.26 -0.56 0.08 -0.21 0.00 0.00 178.00 177.86 1uf2 s VAL 795 N -3.05 4.92 0.00 3.15 1.01 -1.26 0.40 120.40 125.56 1uf2 s VAL 795 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1uf2 s VAL 795 Cb 0.08 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1uf2 s VAL 795 CO 0.78 0.34 0.24 2.30 0.00 0.00 0.00 175.10 178.75 1uf2 n ILE 796 N 4.54 0.00 -3.49 2.22 -5.35 -0.54 -4.87 119.36 111.87 1uf2 n ILE 796 Ca -0.15 -0.29 -0.11 0.00 -0.27 0.00 0.00 62.75 61.93 1uf2 n ILE 796 Cb 0.52 1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.73 1uf2 n ILE 796 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uf2 s ALA 797 N -0.11 -1.78 -0.12 -1.28 0.00 -1.22 -1.54 121.76 115.71 1uf2 s ALA 797 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1uf2 s ALA 797 Cb 0.00 0.34 0.12 0.00 0.00 0.00 0.00 23.12 23.57 1uf2 s ALA 797 CO 0.00 -0.62 0.94 0.45 0.00 0.00 0.00 175.76 176.53 1uf2 s SER 798 N -2.23 -0.41 0.47 0.00 0.15 0.12 0.37 113.70 112.18 1uf2 s SER 798 Ca 0.01 0.38 0.27 0.00 0.70 0.00 0.00 55.95 57.31 1uf2 s SER 798 Cb -0.01 0.35 0.95 0.00 -1.71 0.00 0.00 66.02 65.60 1uf2 s SER 798 CO -0.07 -0.42 1.83 0.77 1.20 0.00 0.00 173.24 176.56 1uf2 h SER 799 N 2.53 0.00 -3.67 5.45 4.64 -1.21 -2.18 113.55 119.10 1uf2 h SER 799 Ca -0.20 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 1uf2 h SER 799 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1uf2 h SER 799 CO 0.32 0.13 -0.03 -0.24 -0.87 0.00 0.00 176.83 176.14 1uf2 n SER 800 N -3.24 1.36 -2.54 4.97 2.88 -1.26 -4.20 113.62 111.59 1uf2 n SER 800 Ca 0.01 -1.22 -0.11 0.00 -1.33 0.00 0.00 58.87 56.22 1uf2 n SER 800 Cb 0.42 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 1uf2 n SER 800 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1uf2 n VAL 801 N -0.56 0.00 -3.93 2.46 0.24 -1.26 -3.15 118.33 112.13 1uf2 n VAL 801 Ca -0.01 -0.99 -0.33 0.00 -2.04 0.00 0.00 64.34 60.97 1uf2 n VAL 801 Cb 0.07 0.34 -0.05 0.00 -1.47 0.00 0.00 33.84 32.73 1uf2 n VAL 801 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1uf2 s TYR 802 N -2.13 3.52 0.29 6.34 1.51 -1.26 -0.87 117.35 124.75 1uf2 s TYR 802 Ca 0.08 0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1uf2 s TYR 802 Cb 0.00 -1.81 0.71 0.00 -0.11 0.00 0.00 41.96 40.76 1uf2 s TYR 802 CO 0.05 0.63 1.63 1.49 -1.11 0.00 0.00 175.55 178.24 1uf2 h GLU 803 N 3.71 0.14 0.00 -0.62 4.81 -1.98 -1.39 114.58 119.25 1uf2 h GLU 803 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1uf2 h GLU 803 Cb 1.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1uf2 h GLU 803 CO 0.69 0.09 0.00 0.27 -0.73 0.00 0.00 179.01 179.34 1uf2 n ASN 804 N -5.30 0.00 -0.32 1.04 6.94 -1.26 -1.96 115.26 114.40 1uf2 n ASN 804 Ca 0.21 0.27 0.12 0.00 -0.02 0.00 0.00 54.58 55.16 1uf2 n ASN 804 Cb 0.70 -0.36 0.26 0.00 -2.36 0.00 0.00 39.78 38.01 1uf2 n ASN 804 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1uf2 n VAL 805 N -1.36 0.00 -3.60 3.53 0.31 -0.52 -4.90 118.33 111.79 1uf2 n VAL 805 Ca 0.04 -0.17 -0.38 0.00 -0.01 0.00 0.00 64.34 63.83 1uf2 n VAL 805 Cb 0.09 0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 33.62 1uf2 n VAL 805 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1uf2 s LEU 806 N -2.50 4.42 -0.27 7.52 1.43 -0.83 -0.70 118.68 127.74 1uf2 s LEU 806 Ca 0.22 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1uf2 s LEU 806 Cb 0.19 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1uf2 s LEU 806 CO 0.54 0.31 -0.04 -0.75 0.23 0.00 0.00 176.35 176.65 1uf2 s LYS 807 N -0.82 2.58 -0.38 1.70 2.20 -0.48 -4.89 119.74 119.65 1uf2 s LYS 807 Ca 0.21 -1.15 -0.26 0.00 -0.36 0.00 0.00 55.97 54.41 1uf2 s LYS 807 Cb -0.15 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1uf2 s LYS 807 CO 0.10 -0.52 0.92 0.08 -0.36 0.00 0.00 175.35 175.56 1uf2 s VAL 808 N 1.27 4.58 -0.67 4.02 1.01 -1.26 -0.92 120.40 128.42 1uf2 s VAL 808 Ca -0.03 1.14 0.12 0.00 0.00 0.00 0.00 61.98 63.20 1uf2 s VAL 808 Cb -0.18 -4.34 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 1uf2 s VAL 808 CO -0.03 -0.56 0.54 1.33 0.00 0.00 0.00 175.10 176.38 1uf2 n VAL 809 N 6.01 0.00 -3.77 2.92 0.24 -0.77 -4.96 118.33 118.00 1uf2 n VAL 809 Ca 0.07 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1uf2 n VAL 809 Cb 0.48 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.78 1uf2 n VAL 809 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1uf2 s HIS 810 N -1.97 -0.30 -0.12 6.34 3.76 -1.25 -5.07 115.29 116.68 1uf2 s HIS 810 Ca 0.06 0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 55.65 1uf2 s HIS 810 Cb 0.09 0.11 0.03 0.00 1.11 0.00 0.00 32.58 33.92 1uf2 s HIS 810 CO 0.44 -0.22 -0.03 0.99 -0.85 0.00 0.00 174.74 175.07 1uf2 s THR 811 N -0.20 0.78 -0.41 1.30 2.01 -1.26 -1.00 115.64 116.87 1uf2 s THR 811 Ca -0.03 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.49 1uf2 s THR 811 Cb -0.03 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.54 1uf2 s THR 811 CO 0.01 0.20 0.52 -0.63 -0.69 0.00 0.00 174.62 174.03 1uf2 s ILE 812 N 1.79 4.98 0.15 1.82 1.01 0.54 -4.97 121.20 126.52 1uf2 s ILE 812 Ca 0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 1uf2 s ILE 812 Cb -0.14 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.30 1uf2 s ILE 812 CO -0.07 -0.42 1.68 0.00 0.00 0.00 0.00 174.94 176.12 1uf2 h ALA 813 N 8.70 0.15 -2.90 9.38 0.00 -1.91 -1.63 119.26 131.04 1uf2 h ALA 813 Ca -0.27 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1uf2 h ALA 813 Cb 1.11 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1uf2 h ALA 813 CO 0.82 -0.50 0.02 0.16 0.00 0.00 0.00 179.25 179.75 1uf2 s ASP 814 N -5.18 -0.11 0.24 0.00 1.47 -1.26 -4.32 116.67 107.52 1uf2 s ASP 814 Ca -0.14 -0.85 -0.08 0.00 1.18 0.00 0.00 52.55 52.66 1uf2 s ASP 814 Cb 0.12 0.65 0.40 0.00 -0.34 0.00 0.00 42.92 43.76 1uf2 s ASP 814 CO 0.69 -1.25 1.63 0.15 0.68 0.00 0.00 175.17 177.08 1uf2 h PHE 815 N 2.15 -0.11 -0.13 2.11 3.57 -1.91 -1.72 116.94 120.89 1uf2 h PHE 815 Ca -0.24 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.34 1uf2 h PHE 815 Cb 1.25 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 40.09 1uf2 h PHE 815 CO 0.50 -0.25 -0.49 -0.44 -2.23 0.00 0.00 178.31 175.41 1uf2 h ASP 816 N 0.08 -1.56 -0.98 0.41 3.32 -1.98 0.06 116.42 115.76 1uf2 h ASP 816 Ca 0.39 0.19 0.12 0.00 0.02 0.00 0.00 57.03 57.75 1uf2 h ASP 816 Cb 0.68 0.61 -0.08 0.00 0.22 0.00 0.00 39.33 40.75 1uf2 h ASP 816 CO -0.67 -0.43 0.61 0.00 -1.72 0.00 0.00 179.24 177.03 1uf2 h ALA 817 N -0.41 1.47 -0.56 3.45 0.00 -1.75 0.29 119.26 121.75 1uf2 h ALA 817 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1uf2 h ALA 817 Cb 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1uf2 h ALA 817 CO -0.40 0.20 0.16 0.00 0.00 0.00 0.00 179.25 179.21 1uf2 h ALA 818 N 1.53 0.74 -0.58 0.00 0.00 -0.82 -1.71 119.26 118.43 1uf2 h ALA 818 Ca 0.49 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1uf2 h ALA 818 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1uf2 h ALA 818 CO -0.27 0.42 0.00 -0.97 0.00 0.00 0.00 179.25 178.43 1uf2 h ASN 819 N 0.79 0.98 -0.58 0.00 -1.24 0.45 -2.55 115.58 113.44 1uf2 h ASN 819 Ca 0.18 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1uf2 h ASN 819 Cb 0.30 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1uf2 h ASN 819 CO -0.00 1.03 0.28 0.00 -1.29 0.00 0.00 177.43 177.45 1uf2 h ALA 820 N 1.07 0.75 -0.68 1.57 0.00 -0.10 -2.64 119.26 119.22 1uf2 h ALA 820 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1uf2 h ALA 820 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1uf2 h ALA 820 CO 0.03 0.31 0.13 -0.07 0.00 0.00 0.00 179.25 179.65 1uf2 h LEU 821 N 0.79 1.05 -2.27 0.00 3.38 -1.22 -2.21 115.31 114.84 1uf2 h LEU 821 Ca 0.20 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1uf2 h LEU 821 Cb 0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1uf2 h LEU 821 CO -0.03 1.03 0.08 -0.09 0.09 0.00 0.00 178.44 179.52 1uf2 h ARG 822 N 1.04 0.00 -0.04 1.13 9.65 -1.10 -2.52 114.38 122.53 1uf2 h ARG 822 Ca 0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1uf2 h ARG 822 Cb 0.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1uf2 h ARG 822 CO 0.01 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.06 1uf2 n LEU 823 N -4.03 2.56 -4.44 3.80 4.77 -0.84 -4.72 117.00 114.10 1uf2 n LEU 823 Ca -0.01 -0.87 -0.44 0.00 -0.03 0.00 0.00 56.01 54.66 1uf2 n LEU 823 Cb 0.18 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1uf2 n LEU 823 CO 0.30 0.43 1.18 -1.10 -1.33 0.00 0.00 177.39 176.87 1uf2 s GLN 824 N -1.98 3.98 0.18 3.23 -0.21 -0.97 -5.01 119.66 118.87 1uf2 s GLN 824 Ca 0.31 -2.48 -0.23 0.00 0.02 0.00 0.00 55.36 52.98 1uf2 s GLN 824 Cb 0.20 -4.94 -0.08 0.00 1.00 0.00 0.00 33.01 29.20 1uf2 s GLN 824 CO 0.31 -1.68 0.75 1.03 -2.12 0.00 0.00 175.29 173.58 1uf2 s ARG 825 N 1.40 4.45 0.04 2.91 0.52 -1.26 -2.14 118.95 124.86 1uf2 s ARG 825 Ca 0.38 1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 56.63 1uf2 s ARG 825 Cb -0.04 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 1uf2 s ARG 825 CO -0.03 0.52 -0.02 -0.98 0.02 0.00 0.00 175.30 174.80 1uf2 s ARG 826 N -1.41 0.47 -0.12 3.54 1.70 -0.82 -4.99 118.95 117.32 1uf2 s ARG 826 Ca 0.38 -0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 54.42 1uf2 s ARG 826 Cb -0.21 0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.33 1uf2 s ARG 826 CO 0.24 -0.08 1.02 0.50 -1.08 0.00 0.00 175.30 175.90 1uf2 s ARG 827 N -2.74 4.40 -0.11 3.89 3.52 -1.26 -2.00 118.95 124.65 1uf2 s ARG 827 Ca -0.04 1.40 -0.06 0.00 -0.13 0.00 0.00 55.73 56.90 1uf2 s ARG 827 Cb -0.01 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1uf2 s ARG 827 CO -0.06 -0.36 -0.13 0.28 -0.81 0.00 0.00 175.30 174.23 1uf2 h VAL 828 N 5.13 0.00 -0.28 7.11 2.07 -1.22 -3.48 116.25 125.58 1uf2 h VAL 828 Ca -0.30 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1uf2 h VAL 828 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1uf2 h VAL 828 CO 0.87 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.56 1uf2 n ASP 829 N -4.10 0.00 -0.18 0.57 5.68 -1.10 -5.01 116.55 112.42 1uf2 n ASP 829 Ca -0.05 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.17 1uf2 n ASP 829 Cb 0.19 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.19 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 0.64 0.00 -1.12 -0.26 -2.05 -3.35 115.58 109.45 1uf2 h ASN 830 Ca 0.00 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1uf2 h ASN 830 Cb 0.00 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 1uf2 h ASN 830 CO 0.00 0.53 -0.01 0.35 -1.06 0.00 0.00 177.43 177.23 1uf2 n THR 831 N -4.66 0.84 -4.15 2.81 -2.24 -1.26 -5.08 114.28 100.55 1uf2 n THR 831 Ca 0.03 -0.88 -0.16 0.00 -2.27 0.00 0.00 64.05 60.76 1uf2 n THR 831 Cb 0.07 0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.96 1.48 0.20 3.42 1.04 -1.26 -5.09 113.70 112.52 1uf2 s SER 832 Ca 0.03 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1uf2 s SER 832 Cb 0.03 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 1uf2 s SER 832 CO 0.00 -0.15 -0.06 -0.72 0.98 0.00 0.00 173.24 173.29 1uf2 s TYR 833 N -1.63 1.47 0.19 5.02 -0.85 -1.26 -0.66 117.35 119.64 1uf2 s TYR 833 Ca -0.01 -0.81 0.04 0.00 -0.52 0.00 0.00 57.07 55.77 1uf2 s TYR 833 Cb -0.08 -0.79 -0.01 0.00 0.38 0.00 0.00 41.96 41.45 1uf2 s TYR 833 CO 0.01 0.07 0.17 -2.37 -1.52 0.00 0.00 175.55 171.92 1uf2 n THR 834 N -0.33 0.00 -3.77 -3.49 5.66 -0.85 -4.87 114.28 106.63 1uf2 n THR 834 Ca -0.08 -1.37 -0.13 0.00 -3.05 0.00 0.00 64.05 59.42 1uf2 n THR 834 Cb 0.62 0.70 -0.14 0.00 -1.55 0.00 0.00 70.33 69.96 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 -2.34 -0.14 0.21 1.09 -4.77 -1.26 -1.94 116.67 107.52 1uf2 s ASP 835 Ca 0.23 0.32 0.15 0.00 -3.30 0.00 0.00 52.55 49.95 1uf2 s ASP 835 Cb 0.01 0.25 0.71 0.00 -1.09 0.00 0.00 42.92 42.80 1uf2 s ASP 835 CO 0.16 -0.12 0.76 -1.20 0.70 0.00 0.00 175.17 175.47 1uf2 n SER 836 N 3.80 0.11 0.03 2.11 7.64 -0.91 0.40 113.62 126.80 1uf2 n SER 836 Ca -0.22 0.69 -0.10 0.00 1.01 0.00 0.00 58.87 60.26 1uf2 n SER 836 Cb 0.54 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.14 -0.23 -3.43 5.85 -1.83 -2.60 115.31 112.92 1uf2 h LEU 837 Ca 0.42 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1uf2 h LEU 837 Cb 1.33 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 1uf2 h LEU 837 CO -0.25 0.46 -0.09 0.28 -0.34 0.00 0.00 178.44 178.51 1uf2 h SER 838 N -0.91 -0.31 -1.07 1.25 0.02 -0.37 -1.21 113.55 110.95 1uf2 h SER 838 Ca -0.02 0.08 0.29 0.00 -0.84 0.00 0.00 61.79 61.31 1uf2 h SER 838 Cb 0.52 0.18 -0.11 0.00 0.14 0.00 0.00 62.40 63.13 1uf2 h SER 838 CO 0.03 -0.12 0.68 -0.78 -1.14 0.00 0.00 176.83 175.50 1uf2 h ASP 839 N -0.05 0.46 0.45 3.07 3.58 -0.79 0.19 116.42 123.33 1uf2 h ASP 839 Ca 0.12 0.11 -0.22 0.00 0.42 0.00 0.00 57.03 57.46 1uf2 h ASP 839 Cb 0.23 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 1uf2 h ASP 839 CO -0.27 0.03 -0.94 -0.03 -2.88 0.00 0.00 179.24 175.15 1uf2 h MET 840 N 0.37 0.32 -0.32 0.28 4.05 -0.84 -3.20 114.93 115.59 1uf2 h MET 840 Ca 0.65 -0.36 -0.08 0.00 -0.28 0.00 0.00 59.70 59.63 1uf2 h MET 840 Cb 1.64 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 32.53 1uf2 h MET 840 CO -0.37 1.06 -0.14 0.35 0.23 0.00 0.00 176.91 178.04 1uf2 h PHE 841 N 0.17 0.60 0.00 1.39 3.57 0.11 -2.45 116.94 120.33 1uf2 h PHE 841 Ca -0.07 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 1uf2 h PHE 841 Cb 1.58 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1uf2 h PHE 841 CO 0.05 0.67 -0.37 -0.91 -2.23 0.00 0.00 178.31 175.52 1uf2 h ASN 842 N 0.50 0.00 0.07 0.41 2.35 -1.30 -2.79 115.58 114.83 1uf2 h ASN 842 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1uf2 h ASN 842 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1uf2 h ASN 842 CO 0.03 0.37 0.00 0.61 -1.65 0.00 0.00 177.43 176.79 1uf2 n GLY 843 N -0.18 -0.39 3.84 2.83 0.00 -0.92 -4.70 105.19 105.67 1uf2 n GLY 843 Ca -0.01 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.36 4.41 0.15 0.99 1.43 -1.05 -5.05 118.68 117.19 1uf2 s LEU 844 Ca 0.07 1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 1uf2 s LEU 844 Cb 0.04 -3.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.15 1uf2 s LEU 844 CO 0.09 0.19 1.05 -0.60 0.23 0.00 0.00 176.35 177.31 1uf2 s ARG 845 N -1.60 4.62 -0.23 1.70 3.52 -1.26 -4.95 118.95 120.75 1uf2 s ARG 845 Ca 0.33 1.62 -0.11 0.00 -0.13 0.00 0.00 55.73 57.44 1uf2 s ARG 845 Cb -0.16 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1uf2 s ARG 845 CO 0.18 0.11 0.18 0.45 -0.81 0.00 0.00 175.30 175.41 1uf2 s SER 846 N -0.00 6.16 -0.33 -2.12 0.15 -1.26 -4.48 113.70 111.82 1uf2 s SER 846 Ca 0.49 0.16 -0.10 0.00 0.70 0.00 0.00 55.95 57.20 1uf2 s SER 846 Cb -0.27 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1uf2 s SER 846 CO 0.33 0.07 0.16 -0.63 1.20 0.00 0.00 173.24 174.37 1uf2 s ILE 847 N 1.00 4.56 0.01 6.45 1.01 -1.26 -5.04 121.20 127.93 1uf2 s ILE 847 Ca 0.09 -0.57 -0.35 0.00 0.00 0.00 0.00 60.65 59.82 1uf2 s ILE 847 Cb -0.13 -3.39 -0.18 0.00 0.01 0.00 0.00 42.46 38.77 1uf2 s ILE 847 CO 0.04 -0.02 0.91 -0.24 0.00 0.00 0.00 174.94 175.63 1uf2 n SER 848 N 4.98 -0.09 -0.29 3.58 2.88 -1.26 -4.81 113.62 118.61 1uf2 n SER 848 Ca -0.13 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1uf2 n SER 848 Cb 0.48 -0.82 0.07 0.00 -0.75 0.00 0.00 64.21 63.19 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 2.53 -1.04 -0.47 -3.46 0.02 -1.99 0.74 113.55 109.88 1uf2 h SER 849 Ca -0.44 0.26 0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1uf2 h SER 849 Cb 1.27 0.59 -0.10 0.00 0.14 0.00 0.00 62.40 64.30 1uf2 h SER 849 CO 0.57 -0.29 -0.32 -1.28 -1.14 0.00 0.00 176.83 174.37 1uf2 h SER 850 N -0.04 -1.08 -0.05 3.07 0.87 -2.00 -0.70 113.55 113.61 1uf2 h SER 850 Ca 0.35 0.20 0.02 0.00 -1.23 0.00 0.00 61.79 61.12 1uf2 h SER 850 Cb 0.60 0.52 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1uf2 h SER 850 CO -0.85 -0.31 0.53 -0.33 -0.53 0.00 0.00 176.83 175.34 1uf2 h GLU 851 N -0.21 0.00 0.13 2.24 4.39 -1.17 -0.14 114.58 119.81 1uf2 h GLU 851 Ca 0.20 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.61 1uf2 h GLU 851 Cb 0.54 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1uf2 h GLU 851 CO -0.59 0.00 -1.24 0.74 -1.16 0.00 0.00 179.01 176.76 1uf2 h PHE 852 N 0.00 0.83 -0.31 4.33 -1.00 -1.12 -3.26 116.94 116.41 1uf2 h PHE 852 Ca 0.02 -0.54 0.00 0.00 2.81 0.00 0.00 57.97 60.26 1uf2 h PHE 852 Cb 1.08 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1uf2 h PHE 852 CO 0.00 1.40 0.00 1.33 -1.61 0.00 0.00 178.31 179.43 1uf2 n VAL 853 N -3.71 0.41 -1.48 -0.55 0.24 -0.10 -4.41 118.33 108.72 1uf2 n VAL 853 Ca -0.12 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.27 1uf2 n VAL 853 Cb 0.99 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 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 0.61 0.70 -3.82 7.34 0.63 -0.98 -4.84 116.66 116.31 1uf2 n ARG 854 Ca 0.15 0.25 -0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1uf2 n ARG 854 Cb 0.36 -1.57 -0.09 0.00 0.45 0.00 0.00 32.46 31.61 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 -0.89 -0.06 -0.23 6.15 1.04 -1.26 -2.04 113.70 116.41 1uf2 s SER 855 Ca 0.63 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1uf2 s SER 855 Cb -0.63 0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.84 1uf2 s SER 855 CO 0.58 -0.47 0.05 -0.69 0.98 0.00 0.00 173.24 173.69 1uf2 s VAL 856 N -1.83 0.60 -1.58 5.02 1.01 0.34 -4.81 120.40 119.16 1uf2 s VAL 856 Ca -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1uf2 s VAL 856 Cb -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1uf2 s VAL 856 CO 0.00 -0.36 0.35 0.59 0.00 0.00 0.00 175.10 175.68 1uf2 n ASN 857 N 5.00 -5.86 0.00 3.32 3.02 -1.26 -2.82 115.26 116.66 1uf2 n ASN 857 Ca -0.07 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1uf2 n ASN 857 Cb 0.45 -4.76 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 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 -1.30 3.18 3.77 7.41 0.00 -1.26 -5.05 105.19 111.93 1uf2 n GLY 858 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1uf2 n GLY 858 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uf2 s ARG 859 N -0.57 4.08 0.32 1.61 1.81 -1.13 -3.91 118.95 121.16 1uf2 s ARG 859 Ca 0.00 0.13 -0.28 0.00 -1.72 0.00 0.00 55.73 53.86 1uf2 s ARG 859 Cb 0.00 -3.35 -0.10 0.00 -0.45 0.00 0.00 34.95 31.05 1uf2 s ARG 859 CO 0.00 0.40 1.18 -1.12 -0.68 0.00 0.00 175.30 175.08 1uf2 s SER 860 N -0.04 6.98 0.07 0.23 0.01 -1.11 -0.50 113.70 119.33 1uf2 s SER 860 Ca 0.18 2.43 0.02 0.00 1.31 0.00 0.00 55.95 59.88 1uf2 s SER 860 Cb -0.14 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 1uf2 s SER 860 CO 0.06 -0.36 -0.07 -0.69 0.41 0.00 0.00 173.24 172.59 1uf2 s VAL 861 N -1.20 0.57 -0.49 3.43 1.01 -0.86 -4.84 120.40 118.00 1uf2 s VAL 861 Ca 0.48 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1uf2 s VAL 861 Cb -0.34 -1.11 0.14 0.00 0.00 0.00 0.00 36.38 35.06 1uf2 s VAL 861 CO 0.45 -0.64 0.29 0.12 0.00 0.00 0.00 175.10 175.32 1uf2 s PHE 862 N -2.51 2.37 0.33 5.22 5.36 -1.26 -4.36 117.98 123.12 1uf2 s PHE 862 Ca 0.00 -2.70 0.11 0.00 -0.96 0.00 0.00 56.93 53.38 1uf2 s PHE 862 Cb -0.02 -2.10 0.57 0.00 -0.34 0.00 0.00 43.02 41.13 1uf2 s PHE 862 CO -0.03 -0.74 1.74 1.79 -1.46 0.00 0.00 175.22 176.53 1uf2 h THR 863 N 5.10 1.32 -3.67 0.12 1.35 -1.97 -3.45 112.91 111.72 1uf2 h THR 863 Ca 0.03 -1.55 -0.48 0.00 -0.55 0.00 0.00 66.41 63.86 1uf2 h THR 863 Cb 0.89 1.81 0.21 0.00 -1.73 0.00 0.00 68.15 69.33 1uf2 h THR 863 CO 0.55 0.45 0.04 -0.62 -0.25 0.00 0.00 175.52 175.68 1uf2 n GLU 864 N -4.00 -1.48 0.00 4.72 -0.58 -1.26 -5.02 120.64 113.02 1uf2 n GLU 864 Ca -0.02 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 1uf2 n GLU 864 Cb 0.48 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 1uf2 n GLU 864 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uf2 n GLY 865 N 0.73 -0.98 3.35 0.62 0.00 -1.26 -5.04 105.19 102.61 1uf2 n GLY 865 Ca 0.07 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 1.34 -0.26 1.61 0.52 -1.26 -5.07 118.95 115.84 1uf2 s ARG 866 Ca 0.00 -1.52 -0.26 0.00 -0.52 0.00 0.00 55.73 53.43 1uf2 s ARG 866 Cb 0.00 -1.31 0.00 0.00 0.52 0.00 0.00 34.95 34.17 1uf2 s ARG 866 CO 0.00 0.25 0.92 0.42 0.02 0.00 0.00 175.30 176.90 1uf2 s ILE 867 N -2.45 4.74 0.18 1.52 1.01 0.12 -4.82 121.20 121.51 1uf2 s ILE 867 Ca 0.20 1.66 -0.32 0.00 0.00 0.00 0.00 60.65 62.19 1uf2 s ILE 867 Cb -0.04 -4.22 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 1uf2 s ILE 867 CO 0.08 -0.19 1.65 -1.81 0.00 0.00 0.00 174.94 174.67 1uf2 s ASP 868 N 1.39 6.48 0.13 3.58 1.11 -1.26 -1.38 116.67 126.72 1uf2 s ASP 868 Ca 0.39 2.74 -0.12 0.00 0.18 0.00 0.00 52.55 55.74 1uf2 s ASP 868 Cb -0.15 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.26 1uf2 s ASP 868 CO 0.09 -0.90 0.30 0.00 1.18 0.00 0.00 175.17 175.84 1uf2 s ALA 869 N 1.27 -0.42 -0.20 5.23 0.00 -0.10 -4.38 121.76 123.15 1uf2 s ALA 869 Ca 0.73 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 52.11 1uf2 s ALA 869 Cb -0.47 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1uf2 s ALA 869 CO 0.32 -0.61 0.07 0.42 0.00 0.00 0.00 175.76 175.96 1uf2 s ILE 870 N -3.87 4.74 -0.32 0.00 1.01 0.26 -1.84 121.20 121.18 1uf2 s ILE 870 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 1uf2 s ILE 870 Cb 0.03 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1uf2 s ILE 870 CO -0.08 0.42 0.35 -0.75 0.00 0.00 0.00 174.94 174.89 1uf2 s LYS 871 N 0.69 3.69 -0.35 2.79 2.20 -0.17 -0.15 119.74 128.44 1uf2 s LYS 871 Ca 0.04 -0.31 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 1uf2 s LYS 871 Cb -0.13 -3.76 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1uf2 s LYS 871 CO 0.02 -0.44 0.14 0.08 -0.36 0.00 0.00 175.35 174.78 1uf2 s VAL 872 N 2.01 4.13 -1.43 4.02 1.01 -0.34 -0.34 120.40 129.47 1uf2 s VAL 872 Ca 0.12 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1uf2 s VAL 872 Cb -0.16 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 32.99 1uf2 s VAL 872 CO 0.11 -0.16 2.21 0.59 0.00 0.00 0.00 175.10 177.85 1uf2 n ASN 873 N 4.89 4.67 -4.48 3.32 3.02 -0.61 -1.54 115.26 124.53 1uf2 n ASN 873 Ca -0.12 -2.89 -0.27 0.00 -0.03 0.00 0.00 54.58 51.26 1uf2 n ASN 873 Cb 0.46 -1.60 -0.11 0.00 -0.61 0.00 0.00 39.78 37.92 1uf2 n ASN 873 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1uf2 s MET 874 N 2.30 1.74 0.25 3.52 -1.94 -1.24 -4.40 119.30 119.54 1uf2 s MET 874 Ca 0.47 -1.39 -0.30 0.00 -1.71 0.00 0.00 55.69 52.77 1uf2 s MET 874 Cb 0.13 -1.99 -0.09 0.00 2.01 0.00 0.00 34.83 34.89 1uf2 s MET 874 CO -0.06 0.42 1.06 0.50 -0.01 0.00 0.00 175.02 176.93 1uf2 s ARG 875 N -2.65 4.69 -0.01 2.03 3.52 -1.26 -2.87 118.95 122.40 1uf2 s ARG 875 Ca 0.22 1.71 -0.20 0.00 -0.13 0.00 0.00 55.73 57.32 1uf2 s ARG 875 Cb -0.09 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1uf2 s ARG 875 CO 0.12 0.27 0.43 0.00 -0.81 0.00 0.00 175.30 175.30 1uf2 s ALA 876 N -0.99 -1.10 -0.13 6.12 0.00 -0.83 -4.18 121.76 120.66 1uf2 s ALA 876 Ca 0.44 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 1uf2 s ALA 876 Cb -0.30 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1uf2 s ALA 876 CO 0.38 -0.34 0.06 0.21 0.00 0.00 0.00 175.76 176.07 1uf2 s LYS 877 N -1.57 3.43 -0.17 0.00 2.20 -0.70 -1.18 119.74 121.74 1uf2 s LYS 877 Ca -0.11 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1uf2 s LYS 877 Cb -0.03 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1uf2 s LYS 877 CO 0.04 0.59 -0.09 -0.59 -0.36 0.00 0.00 175.35 174.94 1uf2 s PHE 878 N -0.53 2.89 -0.58 4.03 -0.12 -1.10 -0.02 117.98 122.55 1uf2 s PHE 878 Ca 0.10 -0.81 -0.23 0.00 -0.05 0.00 0.00 56.93 55.94 1uf2 s PHE 878 Cb -0.12 -1.97 0.05 0.00 -0.63 0.00 0.00 43.02 40.35 1uf2 s PHE 878 CO 0.02 -0.38 0.92 0.34 -0.05 0.00 0.00 175.22 176.07 1uf2 s ASP 879 N 0.90 6.28 0.31 1.98 2.15 -0.17 -4.79 116.67 123.33 1uf2 s ASP 879 Ca -0.02 -0.60 -0.26 0.00 0.43 0.00 0.00 52.55 52.10 1uf2 s ASP 879 Cb -0.15 -2.42 -0.10 0.00 -0.30 0.00 0.00 42.92 39.96 1uf2 s ASP 879 CO 0.00 -1.26 0.93 -0.22 -0.17 0.00 0.00 175.17 174.45 1uf2 s LEU 880 N 3.87 4.36 -0.08 -1.34 2.96 -1.26 -2.14 118.68 125.04 1uf2 s LEU 880 Ca 0.26 1.82 -0.06 0.00 -0.22 0.00 0.00 54.13 55.94 1uf2 s LEU 880 Cb -0.14 -3.96 0.03 0.00 0.50 0.00 0.00 46.19 42.61 1uf2 s LEU 880 CO 0.16 -0.05 0.21 -1.10 -1.32 0.00 0.00 176.35 174.25 1uf2 s GLN 881 N -1.98 0.20 -0.03 1.98 -0.21 -0.92 -4.97 119.66 113.73 1uf2 s GLN 881 Ca 0.49 0.38 0.00 0.00 0.02 0.00 0.00 55.36 56.26 1uf2 s GLN 881 Cb -0.19 -0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.77 1uf2 s GLN 881 CO 0.24 -0.10 0.00 -0.06 -2.12 0.00 0.00 175.29 173.26 1uf2 s PHE 882 N 0.68 3.10 -0.02 0.91 2.99 -1.26 -1.00 117.98 123.38 1uf2 s PHE 882 Ca -0.05 0.11 0.02 0.00 0.00 0.00 0.00 56.93 57.02 1uf2 s PHE 882 Cb -0.06 -1.71 0.01 0.00 0.00 0.00 0.00 43.02 41.26 1uf2 s PHE 882 CO -0.04 0.46 -0.07 0.42 -0.00 0.00 0.00 175.22 175.99 1uf2 s ILE 883 N -1.03 0.64 -0.25 0.64 1.01 -0.54 -4.94 121.20 116.73 1uf2 s ILE 883 Ca 0.18 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1uf2 s ILE 883 Cb -0.11 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1uf2 s ILE 883 CO 0.08 0.21 0.17 0.42 0.00 0.00 0.00 174.94 175.82 1uf2 s THR 884 N 0.29 5.32 -0.51 2.92 -4.23 -1.26 0.10 115.64 118.27 1uf2 s THR 884 Ca -0.04 0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.44 1uf2 s THR 884 Cb -0.09 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.31 1uf2 s THR 884 CO 0.00 0.31 0.70 -1.61 -0.54 0.00 0.00 174.62 173.48 1uf2 s GLU 885 N 1.30 3.18 0.24 3.99 0.41 -0.17 -4.91 118.70 122.74 1uf2 s GLU 885 Ca 0.07 -0.71 -0.00 0.00 -0.41 0.00 0.00 54.97 53.93 1uf2 s GLU 885 Cb -0.14 -4.08 0.27 0.00 -1.78 0.00 0.00 34.13 28.41 1uf2 s GLU 885 CO 0.07 -1.26 1.63 0.93 -0.49 0.00 0.00 175.26 176.13 1uf2 h GLU 886 N 9.06 0.53 0.00 1.61 4.39 -1.87 -2.15 114.58 126.14 1uf2 h GLU 886 Ca -0.27 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1uf2 h GLU 886 Cb 1.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1uf2 h GLU 886 CO 0.99 0.81 0.00 0.41 -1.16 0.00 0.00 179.01 180.06 1uf2 n GLY 887 N -0.12 1.92 3.53 -3.84 0.00 -1.26 -4.19 105.19 101.24 1uf2 n GLY 887 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.02 1.58 -0.22 -0.02 0.00 -1.26 -4.94 107.32 100.45 1uf2 s GLY 888 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 1uf2 s GLY 888 CO 0.00 1.80 2.71 -1.72 0.00 0.00 0.00 173.10 175.88 1uf2 n TYR 889 N 6.77 0.87 -0.02 1.90 4.02 -1.26 -4.56 117.16 124.88 1uf2 n TYR 889 Ca 0.02 -1.67 -0.01 0.00 -0.01 0.00 0.00 57.90 56.23 1uf2 n TYR 889 Cb 0.48 -1.19 -0.00 0.00 -0.02 0.00 0.00 39.34 38.60 1uf2 n TYR 889 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1uf2 h SER 890 N 2.30 0.00 -3.57 7.72 4.64 -2.01 -3.46 113.55 119.17 1uf2 h SER 890 Ca 0.25 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.87 1uf2 h SER 890 Cb 1.04 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.93 1uf2 h SER 890 CO 0.52 0.17 -0.34 -0.54 -0.87 0.00 0.00 176.83 175.77 1uf2 s LYS 891 N -1.26 3.18 0.40 4.77 3.01 -1.26 -5.06 119.74 123.52 1uf2 s LYS 891 Ca -0.03 -0.78 -0.27 0.00 -1.01 0.00 0.00 55.97 53.88 1uf2 s LYS 891 Cb 0.00 -3.92 -0.10 0.00 -1.01 0.00 0.00 37.83 32.80 1uf2 s LYS 891 CO 0.04 -0.71 1.40 -2.30 0.51 0.00 0.00 175.35 174.30 1uf2 n PRO 892 N 5.34 2.36 -1.75 -1.68 -0.02 -1.26 -4.96 135.00 133.02 1uf2 n PRO 892 Ca -0.10 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 1uf2 n PRO 892 Cb 0.48 -2.55 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1uf2 n PRO 892 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1uf2 s PRO 893 N -2.17 2.95 -0.59 0.52 0.04 -1.26 -4.98 135.00 129.51 1uf2 s PRO 893 Ca 0.57 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 1uf2 s PRO 893 Cb -0.49 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.21 1uf2 s PRO 893 CO 0.61 -1.10 0.53 1.21 0.04 0.00 0.00 177.00 178.29 1uf2 s ASN 894 N -3.07 6.21 -0.09 6.66 2.47 -1.26 -4.94 114.94 120.93 1uf2 s ASN 894 Ca 0.63 -2.03 -0.19 0.00 0.42 0.00 0.00 52.86 51.69 1uf2 s ASN 894 Cb -0.17 -2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1uf2 s ASN 894 CO 0.45 -0.76 0.51 -0.69 -3.72 0.00 0.00 177.10 172.89 1uf2 s VAL 895 N 1.21 5.13 -0.26 -5.21 1.01 -1.26 -5.03 120.40 115.98 1uf2 s VAL 895 Ca 0.07 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1uf2 s VAL 895 Cb -0.25 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1uf2 s VAL 895 CO -0.00 0.35 1.25 -0.54 0.00 0.00 0.00 175.10 176.16 1uf2 s LYS 896 N 0.41 4.03 -0.03 2.72 1.02 -1.26 -5.02 119.74 121.62 1uf2 s LYS 896 Ca 0.28 1.34 0.06 0.00 0.02 0.00 0.00 55.97 57.67 1uf2 s LYS 896 Cb -0.16 -3.82 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 1uf2 s LYS 896 CO 0.12 -0.96 -0.21 0.15 -0.92 0.00 0.00 175.35 173.53 1uf2 s LYS 897 N 3.88 2.24 -0.28 1.68 1.02 -1.26 -4.71 119.74 122.32 1uf2 s LYS 897 Ca 0.54 -0.85 -0.07 0.00 0.02 0.00 0.00 55.97 55.61 1uf2 s LYS 897 Cb -0.17 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1uf2 s LYS 897 CO 0.19 0.58 0.07 -1.17 -0.92 0.00 0.00 175.35 174.10 1uf2 s LEU 898 N -0.72 3.65 0.43 3.17 2.96 -1.26 -4.99 118.68 121.92 1uf2 s LEU 898 Ca 0.11 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1uf2 s LEU 898 Cb -0.10 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1uf2 s LEU 898 CO -0.00 -0.13 0.70 -0.04 -1.32 0.00 0.00 176.35 175.56 1uf2 s MET 899 N 1.54 3.53 0.27 1.98 -1.94 -1.26 -1.05 119.30 122.38 1uf2 s MET 899 Ca 0.04 0.01 -0.01 0.00 -1.71 0.00 0.00 55.69 54.03 1uf2 s MET 899 Cb -0.16 -2.48 0.47 0.00 2.01 0.00 0.00 34.83 34.67 1uf2 s MET 899 CO 0.02 -0.07 1.87 0.35 -0.01 0.00 0.00 175.02 177.18 1uf2 h PHE 900 N 0.46 1.18 -0.70 -0.03 3.57 -1.92 0.20 116.94 119.69 1uf2 h PHE 900 Ca -0.48 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.15 1uf2 h PHE 900 Cb 1.21 -0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.49 1uf2 h PHE 900 CO 0.56 0.55 0.33 0.66 -2.23 0.00 0.00 178.31 178.18 1uf2 h SER 901 N 1.10 0.40 -0.42 0.41 4.64 -2.00 -0.46 113.55 117.23 1uf2 h SER 901 Ca 0.46 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.82 1uf2 h SER 901 Cb 0.30 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1uf2 h SER 901 CO -0.21 0.22 0.18 0.44 -0.87 0.00 0.00 176.83 176.59 1uf2 h ASP 902 N 0.55 0.61 -0.08 4.97 3.32 -0.98 -1.44 116.42 123.37 1uf2 h ASP 902 Ca 0.36 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1uf2 h ASP 902 Cb 0.41 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1uf2 h ASP 902 CO -0.29 0.56 -0.24 0.15 -1.72 0.00 0.00 179.24 177.70 1uf2 h PHE 903 N 0.67 0.56 -0.16 4.55 3.57 -0.72 -1.51 116.94 123.90 1uf2 h PHE 903 Ca 0.16 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1uf2 h PHE 903 Cb 0.15 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1uf2 h PHE 903 CO 0.01 0.70 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.56 1uf2 h LEU 904 N 0.44 0.41 -2.03 0.59 3.38 -0.87 -1.61 115.31 115.63 1uf2 h LEU 904 Ca 0.07 -0.48 0.13 0.00 0.09 0.00 0.00 57.88 57.69 1uf2 h LEU 904 Cb 0.65 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1uf2 h LEU 904 CO 0.05 0.81 0.35 -1.28 0.09 0.00 0.00 178.44 178.46 1uf2 h SER 905 N 0.03 0.00 0.29 -0.43 0.87 -0.94 -0.35 113.55 113.01 1uf2 h SER 905 Ca 0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1uf2 h SER 905 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1uf2 h SER 905 CO 0.04 0.00 -0.14 0.15 -0.53 0.00 0.00 176.83 176.35 1uf2 h PHE 906 N 0.00 -0.36 -0.22 2.24 3.57 -0.91 -3.06 116.94 118.21 1uf2 h PHE 906 Ca 0.21 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1uf2 h PHE 906 Cb 0.92 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1uf2 h PHE 906 CO 0.00 -0.13 0.34 -0.07 -2.23 0.00 0.00 178.31 176.22 1uf2 h LEU 907 N -1.06 0.00 0.00 0.59 3.38 -0.30 0.05 115.31 117.97 1uf2 h LEU 907 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1uf2 h LEU 907 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1uf2 h LEU 907 CO 0.07 0.00 -0.82 0.44 0.09 0.00 0.00 178.44 178.21 1uf2 h ASP 908 N 0.00 0.00 0.44 -0.43 3.32 -1.14 -2.00 116.42 116.61 1uf2 h ASP 908 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1uf2 h ASP 908 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1uf2 h ASP 908 CO -0.00 0.04 -0.24 -1.20 -1.72 0.00 0.00 179.24 176.11 1uf2 n SER 909 N -2.78 0.57 0.00 6.45 7.64 -0.03 -3.86 113.62 121.62 1uf2 n SER 909 Ca 0.00 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1uf2 n SER 909 Cb 0.56 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1uf2 n SER 909 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1uf2 n HIS 910 N -1.09 0.00 -0.40 1.43 8.25 -1.02 -4.86 115.22 117.54 1uf2 n HIS 910 Ca 0.10 -0.15 0.36 0.00 -0.26 0.00 0.00 57.72 57.77 1uf2 n HIS 910 Cb 0.32 -0.01 0.63 0.00 1.12 0.00 0.00 29.99 32.05 1uf2 n HIS 910 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1uf2 n LYS 911 N -0.15 -0.05 0.06 -0.41 2.85 -0.75 -0.77 118.16 118.93 1uf2 n LYS 911 Ca 0.00 1.31 0.11 0.00 -1.05 0.00 0.00 58.31 58.68 1uf2 n LYS 911 Cb 0.21 -2.46 0.03 0.00 -0.65 0.00 0.00 35.03 32.16 1uf2 n LYS 911 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1uf2 n SER 912 N -4.98 0.66 -3.81 -5.58 7.64 -1.26 -4.99 113.62 101.30 1uf2 n SER 912 Ca 0.39 0.05 -0.39 0.00 1.01 0.00 0.00 58.87 59.93 1uf2 n SER 912 Cb 1.43 0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 65.26 1uf2 n SER 912 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1uf2 n ASP 913 N -2.24 -1.93 -1.36 6.43 9.92 0.05 -4.87 116.55 122.55 1uf2 n ASP 913 Ca 0.01 0.83 0.10 0.00 -0.53 0.00 0.00 54.79 55.20 1uf2 n ASP 913 Cb 0.48 -0.80 0.32 0.00 -0.64 0.00 0.00 41.12 40.48 1uf2 n ASP 913 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uf2 n TYR 914 N -0.52 1.14 -3.64 1.24 0.18 -1.26 -4.84 117.16 109.46 1uf2 n TYR 914 Ca 0.12 -0.56 -0.05 0.00 1.88 0.00 0.00 57.90 59.29 1uf2 n TYR 914 Cb 0.30 -0.12 -0.07 0.00 -0.38 0.00 0.00 39.34 39.07 1uf2 n TYR 914 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 1uf2 s ARG 915 N -1.43 0.60 0.08 -3.48 1.70 -1.26 -5.15 118.95 110.01 1uf2 s ARG 915 Ca 0.47 1.06 -0.32 0.00 -0.47 0.00 0.00 55.73 56.47 1uf2 s ARG 915 Cb 0.28 0.16 -0.17 0.00 -0.57 0.00 0.00 34.95 34.65 1uf2 s ARG 915 CO 0.27 -0.13 0.77 -0.35 -1.08 0.00 0.00 175.30 174.78 1uf2 n PRO 916 N 4.21 0.00 -2.62 3.89 -0.04 -1.26 -4.99 135.00 134.19 1uf2 n PRO 916 Ca -0.19 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.02 1uf2 n PRO 916 Cb 0.58 -1.19 0.03 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.42 2.90 -0.23 0.54 0.04 -1.26 -4.95 135.00 131.62 1uf2 s PRO 917 Ca 0.74 -0.27 -0.08 0.00 0.04 0.00 0.00 61.00 61.43 1uf2 s PRO 917 Cb -1.04 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1uf2 s PRO 917 CO 0.53 -0.58 0.09 -1.17 0.04 0.00 0.00 177.00 175.91 1uf2 s LEU 918 N -4.83 3.68 -0.20 -3.56 2.96 -1.26 -4.87 118.68 110.59 1uf2 s LEU 918 Ca 0.53 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 54.17 1uf2 s LEU 918 Cb -0.10 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1uf2 s LEU 918 CO 0.42 0.03 0.56 -0.22 -1.32 0.00 0.00 176.35 175.82 1uf2 s LEU 919 N 1.22 4.14 -0.49 -0.68 2.96 -1.26 -4.94 118.68 119.64 1uf2 s LEU 919 Ca 0.05 0.73 -0.19 0.00 -0.22 0.00 0.00 54.13 54.50 1uf2 s LEU 919 Cb -0.14 -2.77 0.05 0.00 0.50 0.00 0.00 46.19 43.83 1uf2 s LEU 919 CO 0.04 -0.21 0.62 -0.89 -1.32 0.00 0.00 176.35 174.59 1uf2 s THR 920 N 1.73 4.87 -0.24 3.68 2.01 -1.26 -1.73 115.64 124.71 1uf2 s THR 920 Ca 0.26 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 1uf2 s THR 920 Cb -0.16 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1uf2 s THR 920 CO 0.10 -0.75 0.30 -0.69 -0.69 0.00 0.00 174.62 172.88 1uf2 s VAL 921 N 2.66 5.25 0.42 3.82 1.01 0.97 -4.90 120.40 129.63 1uf2 s VAL 921 Ca 0.16 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 1uf2 s VAL 921 Cb -0.18 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1uf2 s VAL 921 CO 0.13 0.26 0.91 -2.16 0.00 0.00 0.00 175.10 174.24 1uf2 s PRO 922 N 1.47 4.13 -0.24 2.72 0.04 -1.26 -1.00 135.00 140.86 1uf2 s PRO 922 Ca 0.13 0.99 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 1uf2 s PRO 922 Cb -0.15 -2.23 0.12 0.00 0.04 0.00 0.00 34.50 32.29 1uf2 s PRO 922 CO 0.08 -0.03 0.48 -1.50 0.04 0.00 0.00 177.00 176.07 1uf2 s ILE 923 N -2.21 -0.76 -0.07 0.56 2.07 -0.91 -4.81 121.20 115.07 1uf2 s ILE 923 Ca 0.60 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.86 1uf2 s ILE 923 Cb -0.09 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 1uf2 s ILE 923 CO 0.17 0.00 0.09 -0.89 -1.91 0.00 0.00 174.94 172.41 1uf2 s THR 924 N 2.69 5.00 -0.11 4.00 2.01 -1.26 -2.18 115.64 125.79 1uf2 s THR 924 Ca 0.04 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1uf2 s THR 924 Cb -0.13 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1uf2 s THR 924 CO -0.16 0.52 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.47 1uf2 s ILE 925 N -1.06 1.75 -0.34 1.82 -1.09 -0.17 -0.91 121.20 121.20 1uf2 s ILE 925 Ca 0.18 -0.81 -0.19 0.00 -2.23 0.00 0.00 60.65 57.60 1uf2 s ILE 925 Cb -0.12 -1.55 -0.01 0.00 -1.58 0.00 0.00 42.46 39.20 1uf2 s ILE 925 CO 0.07 0.49 0.54 -0.83 -1.23 0.00 0.00 174.94 173.99 1uf2 s GLY 926 N 0.70 1.81 -0.05 6.18 0.00 0.16 -1.47 107.32 114.65 1uf2 s GLY 926 Ca -0.12 -0.92 -0.21 0.00 0.00 0.00 0.00 44.72 43.48 1uf2 s GLY 926 CO 0.02 1.32 0.60 1.08 0.00 0.00 0.00 173.10 176.12 1uf2 s LEU 927 N 2.45 4.35 -0.43 0.66 1.43 0.29 -1.46 118.68 125.97 1uf2 s LEU 927 Ca 0.20 1.08 -0.28 0.00 -1.03 0.00 0.00 54.13 54.11 1uf2 s LEU 927 Cb -0.15 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1uf2 s LEU 927 CO 0.13 0.00 1.79 0.21 0.23 0.00 0.00 176.35 178.72 1uf2 s ASN 928 N 0.34 5.71 -0.32 2.29 3.84 0.16 -1.00 114.94 125.97 1uf2 s ASN 928 Ca 0.32 0.95 0.13 0.00 0.21 0.00 0.00 52.86 54.46 1uf2 s ASN 928 Cb -0.17 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.46 1uf2 s ASN 928 CO 0.16 -1.92 1.11 -3.20 -2.79 0.00 0.00 177.10 170.46 1uf2 n ASN 929 N 11.04 3.42 -4.48 -4.21 5.15 -0.81 -3.77 115.26 121.59 1uf2 n ASN 929 Ca 0.22 -3.12 -0.43 0.00 -0.60 0.00 0.00 54.58 50.65 1uf2 n ASN 929 Cb 0.49 -0.43 -0.04 0.00 -0.53 0.00 0.00 39.78 39.26 1uf2 n ASN 929 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1uf2 s LEU 930 N -3.56 4.23 0.00 1.20 2.01 -1.18 -4.07 118.68 117.31 1uf2 s LEU 930 Ca 0.40 -0.73 0.00 0.00 0.01 0.00 0.00 54.13 53.81 1uf2 s LEU 930 Cb 0.39 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 44.02 1uf2 s LEU 930 CO -0.03 -1.37 0.00 0.61 1.01 0.00 0.00 176.35 176.57 1uf2 n GLY 931 N 5.25 0.00 0.07 -3.19 0.00 -1.25 -0.52 105.19 105.55 1uf2 n GLY 931 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1uf2 n GLY 931 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uf2 n GLU 932 N -0.41 0.42 -3.96 1.61 1.02 -1.26 -4.61 120.64 113.46 1uf2 n GLU 932 Ca 0.00 -0.14 -0.34 0.00 -0.02 0.00 0.00 57.16 56.65 1uf2 n GLU 932 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 1uf2 n GLU 932 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1uf2 s THR 933 N -2.68 2.82 -0.27 2.62 2.01 -1.26 -5.08 115.64 113.81 1uf2 s THR 933 Ca 0.23 -1.25 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 1uf2 s THR 933 Cb 0.19 -2.53 0.15 0.00 0.01 0.00 0.00 72.50 70.32 1uf2 s THR 933 CO 0.53 0.05 0.43 0.20 -0.69 0.00 0.00 174.62 175.14 1uf2 s ASN 934 N 1.26 -0.10 -0.03 3.53 0.01 -1.26 -5.00 114.94 113.36 1uf2 s ASN 934 Ca -0.03 0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 52.04 1uf2 s ASN 934 Cb -0.18 1.34 0.11 0.00 0.41 0.00 0.00 41.25 42.93 1uf2 s ASN 934 CO -0.03 -0.30 0.91 -0.94 -1.51 0.00 0.00 177.10 175.23 1uf2 s SER 935 N 2.61 -0.35 0.00 -1.22 1.04 -1.26 -5.08 113.70 109.44 1uf2 s SER 935 Ca 0.13 0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.70 1uf2 s SER 935 Cb -0.14 0.36 0.26 0.00 0.10 0.00 0.00 66.02 66.60 1uf2 s SER 935 CO -0.20 -0.58 1.18 -3.20 0.98 0.00 0.00 173.24 171.42 1uf2 n ASN 936 N -0.15 2.71 -4.73 7.02 2.85 -1.26 -5.02 115.26 116.67 1uf2 n ASN 936 Ca -0.08 -1.91 -0.41 0.00 -0.11 0.00 0.00 54.58 52.07 1uf2 n ASN 936 Cb 0.61 -0.18 -0.04 0.00 1.24 0.00 0.00 39.78 41.41 1uf2 n ASN 936 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1uf2 s THR 937 N -0.98 3.80 -0.42 -0.44 2.01 -1.26 -4.98 115.64 113.37 1uf2 s THR 937 Ca 0.20 1.48 -0.28 0.00 0.31 0.00 0.00 61.69 63.40 1uf2 s THR 937 Cb 0.11 -3.94 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1uf2 s THR 937 CO 0.15 0.22 1.61 -0.76 -0.69 0.00 0.00 174.62 175.14 1uf2 s LEU 938 N -0.02 3.50 -0.24 4.42 1.43 -1.26 -4.86 118.68 121.65 1uf2 s LEU 938 Ca 0.53 0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1uf2 s LEU 938 Cb -0.30 -3.36 -0.12 0.00 0.03 0.00 0.00 46.19 42.44 1uf2 s LEU 938 CO 0.34 -1.68 -0.27 0.54 0.23 0.00 0.00 176.35 175.52 1uf2 n ARG 939 N 8.41 0.53 -4.33 1.70 1.74 -1.26 -5.09 116.66 118.36 1uf2 n ARG 939 Ca 0.19 0.19 -0.21 0.00 -0.77 0.00 0.00 57.85 57.25 1uf2 n ARG 939 Cb 0.48 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 1uf2 n ARG 939 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uf2 s MET 940 N -2.45 1.80 0.15 5.56 0.23 -1.26 -5.15 119.30 118.18 1uf2 s MET 940 Ca -0.33 -2.06 -0.20 0.00 -1.03 0.00 0.00 55.69 52.08 1uf2 s MET 940 Cb 0.11 0.13 -0.07 0.00 -1.53 0.00 0.00 34.83 33.47 1uf2 s MET 940 CO 0.46 -0.62 0.65 1.03 -2.03 0.00 0.00 175.02 174.51 1uf2 s ARG 941 N -3.50 4.24 0.23 3.16 0.52 -1.26 -4.98 118.95 117.37 1uf2 s ARG 941 Ca 0.37 0.81 -0.07 0.00 -0.52 0.00 0.00 55.73 56.32 1uf2 s ARG 941 Cb 0.02 -3.08 0.40 0.00 0.52 0.00 0.00 34.95 32.82 1uf2 s ARG 941 CO 0.25 0.52 1.69 1.03 0.02 0.00 0.00 175.30 178.81 1uf2 h SER 942 N 3.97 0.01 -1.04 0.23 0.87 -2.01 0.16 113.55 115.74 1uf2 h SER 942 Ca -0.48 0.13 0.29 0.00 -1.23 0.00 0.00 61.79 60.50 1uf2 h SER 942 Cb 1.20 0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 1uf2 h SER 942 CO 0.65 -0.02 0.72 -0.33 -0.53 0.00 0.00 176.83 177.32 1uf2 h GLU 943 N 0.27 0.11 -0.36 2.24 3.07 -2.00 0.13 114.58 118.04 1uf2 h GLU 943 Ca 0.38 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 59.09 1uf2 h GLU 943 Cb 0.62 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1uf2 h GLU 943 CO -0.47 0.07 -0.36 0.00 -1.40 0.00 0.00 179.01 176.85 1uf2 h ALA 944 N 1.52 0.67 -0.11 3.43 0.00 -1.07 -1.63 119.26 122.07 1uf2 h ALA 944 Ca 0.52 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1uf2 h ALA 944 Cb 1.83 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1uf2 h ALA 944 CO -0.08 0.67 0.04 0.82 0.00 0.00 0.00 179.25 180.70 1uf2 h ILE 945 N 0.70 1.16 -0.13 0.00 2.04 -0.73 -0.52 117.51 120.03 1uf2 h ILE 945 Ca 0.06 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1uf2 h ILE 945 Cb 0.93 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1uf2 h ILE 945 CO 0.09 0.15 0.01 0.44 0.00 0.00 0.00 178.15 178.83 1uf2 h ASP 946 N 0.01 -0.03 -0.89 1.72 3.32 -1.43 -0.09 116.42 119.03 1uf2 h ASP 946 Ca 0.04 0.03 0.18 0.00 0.02 0.00 0.00 57.03 57.29 1uf2 h ASP 946 Cb 0.20 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 1uf2 h ASP 946 CO -0.00 0.01 0.58 -0.08 -1.72 0.00 0.00 179.24 178.03 1uf2 h GLU 947 N 0.06 0.50 0.52 3.56 4.81 -1.05 -0.73 114.58 122.25 1uf2 h GLU 947 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1uf2 h GLU 947 Cb 0.06 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1uf2 h GLU 947 CO -0.09 0.33 -0.30 -0.92 -0.73 0.00 0.00 179.01 177.30 1uf2 h TYR 948 N 0.52 -0.79 0.00 0.92 3.20 0.64 -2.60 116.97 118.85 1uf2 h TYR 948 Ca 0.46 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.32 1uf2 h TYR 948 Cb 0.99 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1uf2 h TYR 948 CO -0.00 -0.46 0.31 0.74 -1.64 0.00 0.00 178.16 177.11 1uf2 h PHE 949 N -0.76 0.00 0.00 -3.82 -1.00 -0.33 -1.19 116.94 109.84 1uf2 h PHE 949 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1uf2 h PHE 949 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 1uf2 h PHE 949 CO 0.01 0.00 0.00 0.66 -1.61 0.00 0.00 178.31 177.37 1uf2 h SER 950 N 0.00 0.00 -0.10 2.17 4.64 -0.85 -1.22 113.55 118.18 1uf2 h SER 950 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1uf2 h SER 950 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1uf2 h SER 950 CO 0.00 0.00 0.22 0.28 -0.87 0.00 0.00 176.83 176.46 1uf2 h SER 951 N 0.00 0.00 1.47 4.97 0.02 -1.37 0.12 113.55 118.76 1uf2 h SER 951 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1uf2 h SER 951 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1uf2 h SER 951 CO 0.00 0.00 -0.55 1.88 -1.14 0.00 0.00 176.83 177.02 1uf2 h TYR 952 N 0.00 0.00 -3.32 3.45 -1.99 -1.48 -3.41 116.97 110.22 1uf2 h TYR 952 Ca 0.05 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.27 1uf2 h TYR 952 Cb 0.50 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.23 1uf2 h TYR 952 CO 0.00 0.38 -0.06 0.14 -0.00 0.00 0.00 178.16 178.62 1uf2 s VAL 953 N -3.03 4.96 0.00 -2.88 -7.23 0.40 -4.29 120.40 108.33 1uf2 s VAL 953 Ca 0.03 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 1uf2 s VAL 953 Cb 0.07 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1uf2 s VAL 953 CO 0.74 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1uf2 n GLY 954 N -1.21 1.28 3.61 2.32 0.00 -0.14 -4.99 105.19 106.05 1uf2 n GLY 954 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.06 -0.02 4.61 0.00 -1.23 -4.61 120.51 119.21 1uf2 n ALA 955 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.87 1uf2 n ALA 955 Cb 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 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 1.45 1.27 -4.73 0.00 6.02 -0.70 -2.89 117.38 117.80 1uf2 n GLN 956 Ca 0.12 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 1uf2 n GLN 956 Cb 0.29 -1.21 -0.17 0.00 1.02 0.00 0.00 30.24 30.18 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 -2.44 1.97 0.31 5.09 1.09 -0.21 0.12 121.20 127.12 1uf2 s ILE 957 Ca -0.04 -0.93 -0.10 0.00 -1.10 0.00 0.00 60.65 58.48 1uf2 s ILE 957 Cb 0.04 -1.74 0.01 0.00 -1.06 0.00 0.00 42.46 39.71 1uf2 s ILE 957 CO 0.35 0.53 0.55 -1.48 -0.10 0.00 0.00 174.94 174.79 1uf2 s LEU 958 N 0.76 0.47 -0.01 2.97 0.05 -0.47 -4.54 118.68 117.92 1uf2 s LEU 958 Ca -0.09 -1.15 0.03 0.00 0.05 0.00 0.00 54.13 52.97 1uf2 s LEU 958 Cb -0.16 1.91 -0.00 0.00 -2.05 0.00 0.00 46.19 45.88 1uf2 s LEU 958 CO -0.00 -1.31 -0.10 0.68 -0.55 0.00 0.00 176.35 175.07 1uf2 s VAL 959 N -3.36 0.81 0.63 1.48 -7.23 -1.26 -0.99 120.40 110.48 1uf2 s VAL 959 Ca 0.23 -0.42 -0.18 0.00 -1.81 0.00 0.00 61.98 59.81 1uf2 s VAL 959 Cb -0.02 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1uf2 s VAL 959 CO 0.13 0.24 0.95 -2.65 -0.31 0.00 0.00 175.10 173.46 1uf2 n PRO 960 N 2.96 0.80 0.28 4.82 -0.02 -1.26 -4.67 135.00 137.91 1uf2 n PRO 960 Ca -0.15 0.32 0.17 0.00 -2.02 0.00 0.00 63.50 61.82 1uf2 n PRO 960 Cb 0.56 -2.17 0.78 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.30 0.12 0.00 4.25 2.04 -1.36 -2.13 117.51 120.73 1uf2 h ILE 961 Ca -0.48 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1uf2 h ILE 961 Cb 1.36 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1uf2 h ILE 961 CO 0.50 0.03 -0.05 0.78 0.00 0.00 0.00 178.15 179.41 1uf2 h ASN 962 N 0.00 0.00 -0.92 1.72 4.21 -1.90 -2.02 115.58 116.66 1uf2 h ASN 962 Ca -0.00 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.54 1uf2 h ASN 962 Cb 0.41 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.56 1uf2 h ASN 962 CO 0.00 0.05 0.61 0.58 -1.29 0.00 0.00 177.43 177.38 1uf2 h VAL 963 N 0.00 1.19 -2.87 2.81 2.07 -1.74 -3.40 116.25 114.30 1uf2 h VAL 963 Ca -0.00 -0.41 -0.56 0.00 0.82 0.00 0.00 66.70 66.55 1uf2 h VAL 963 Cb 0.10 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 1uf2 h VAL 963 CO 0.01 0.22 1.05 -0.69 0.02 0.00 0.00 177.57 178.18 1uf2 s VAL 964 N -6.00 3.88 -0.42 2.57 1.01 -0.76 -4.98 120.40 115.70 1uf2 s VAL 964 Ca -0.12 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.71 1uf2 s VAL 964 Cb 0.19 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1uf2 s VAL 964 CO 0.81 -0.31 0.33 -0.62 0.00 0.00 0.00 175.10 175.31 1uf2 s ASP 965 N 3.50 6.13 0.18 3.32 3.68 -1.26 -5.05 116.67 127.16 1uf2 s ASP 965 Ca 0.65 -0.92 0.07 0.00 2.13 0.00 0.00 52.55 54.48 1uf2 s ASP 965 Cb -0.23 -2.17 -0.04 0.00 -1.45 0.00 0.00 42.92 39.02 1uf2 s ASP 965 CO 0.26 -0.50 -0.15 0.42 0.13 0.00 0.00 175.17 175.33 1uf2 s THR 966 N 1.75 1.67 -0.13 1.71 -4.23 -1.26 -4.56 115.64 110.58 1uf2 s THR 966 Ca 0.06 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1uf2 s THR 966 Cb -0.19 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1uf2 s THR 966 CO 0.10 -0.50 -0.15 -0.13 -0.54 0.00 0.00 174.62 173.40 1uf2 s ARG 967 N -3.27 3.31 -0.23 3.99 1.81 -0.18 -4.98 118.95 119.40 1uf2 s ARG 967 Ca 0.18 -0.72 0.02 0.00 -1.72 0.00 0.00 55.73 53.49 1uf2 s ARG 967 Cb -0.03 -2.60 0.05 0.00 -0.45 0.00 0.00 34.95 31.92 1uf2 s ARG 967 CO 0.06 0.15 -0.10 0.54 -0.68 0.00 0.00 175.30 175.27 1uf2 s VAL 968 N 0.48 1.84 -0.14 3.52 0.11 -1.26 -0.11 120.40 124.85 1uf2 s VAL 968 Ca -0.10 -1.27 -0.07 0.00 -2.93 0.00 0.00 61.98 57.61 1uf2 s VAL 968 Cb -0.16 -1.95 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1uf2 s VAL 968 CO 0.05 0.08 0.11 -0.31 -3.33 0.00 0.00 175.10 171.69 1uf2 s TYR 969 N 1.28 3.46 -0.02 1.54 1.51 0.32 -4.95 117.35 120.48 1uf2 s TYR 969 Ca -0.04 0.39 0.09 0.00 -1.01 0.00 0.00 57.07 56.50 1uf2 s TYR 969 Cb -0.18 -1.99 -0.15 0.00 -0.11 0.00 0.00 41.96 39.54 1uf2 s TYR 969 CO -0.07 0.53 0.19 0.25 -1.11 0.00 0.00 175.55 175.34 1uf2 n THR 970 N 2.54 0.07 -3.84 -0.71 -2.24 -1.26 0.04 114.28 108.88 1uf2 n THR 970 Ca -0.19 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 1uf2 n THR 970 Cb 0.54 0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.79 1uf2 n THR 970 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uf2 s GLU 971 N -2.62 2.91 0.35 -0.78 -1.05 -1.26 -4.79 118.70 111.46 1uf2 s GLU 971 Ca -0.04 -0.96 0.16 0.00 -0.15 0.00 0.00 54.97 53.98 1uf2 s GLU 971 Cb 0.06 -3.23 1.18 0.00 -0.44 0.00 0.00 34.13 31.70 1uf2 s GLU 971 CO 0.40 -0.46 1.60 0.35 0.95 0.00 0.00 175.26 178.10 1uf2 h PHE 972 N 8.13 0.73 -0.51 4.83 3.57 -1.92 -0.95 116.94 130.82 1uf2 h PHE 972 Ca -0.30 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.29 1uf2 h PHE 972 Cb 1.11 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 1uf2 h PHE 972 CO 0.60 -0.38 -0.30 0.45 -2.23 0.00 0.00 178.31 176.44 1uf2 n SER 973 N -5.23 -0.54 0.16 0.41 2.88 -1.26 -1.24 113.62 108.80 1uf2 n SER 973 Ca 0.34 1.40 0.04 0.00 -1.33 0.00 0.00 58.87 59.32 1uf2 n SER 973 Cb 1.12 -0.36 0.46 0.00 -0.75 0.00 0.00 64.21 64.68 1uf2 n SER 973 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1uf2 h GLU 974 N 0.00 0.15 -0.67 -1.46 4.39 -1.60 -0.90 114.58 114.49 1uf2 h GLU 974 Ca 0.08 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1uf2 h GLU 974 Cb 0.21 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1uf2 h GLU 974 CO -0.48 0.26 0.45 1.25 -1.16 0.00 0.00 179.01 179.32 1uf2 h LEU 975 N 0.15 0.60 0.02 1.33 5.85 -1.13 -1.00 115.31 121.12 1uf2 h LEU 975 Ca 0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1uf2 h LEU 975 Cb 0.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1uf2 h LEU 975 CO 0.02 0.38 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.40 1uf2 h ARG 976 N 0.68 -0.03 -0.10 1.25 2.43 -0.47 -2.79 114.38 115.35 1uf2 h ARG 976 Ca 0.29 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1uf2 h ARG 976 Cb 0.28 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1uf2 h ARG 976 CO -0.09 0.55 0.27 -0.91 -1.51 0.00 0.00 179.97 178.27 1uf2 h ASN 977 N -0.62 0.00 0.00 -3.80 2.35 -0.65 0.95 115.58 113.81 1uf2 h ASN 977 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1uf2 h ASN 977 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1uf2 h ASN 977 CO 0.00 0.00 -0.00 0.15 -1.65 0.00 0.00 177.43 175.93 1uf2 h PHE 978 N 0.00 -0.00 -0.77 1.19 3.57 -1.14 -3.38 116.94 116.40 1uf2 h PHE 978 Ca 0.05 -0.00 -0.73 0.00 3.53 0.00 0.00 57.97 60.81 1uf2 h PHE 978 Cb 0.58 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.22 1uf2 h PHE 978 CO 0.00 0.90 2.56 1.19 -2.23 0.00 0.00 178.31 180.73 1uf2 n PHE 979 N -4.64 3.11 -3.76 0.41 3.01 0.32 -4.64 117.46 111.28 1uf2 n PHE 979 Ca -0.09 -2.87 -0.13 0.00 1.01 0.00 0.00 57.45 55.37 1uf2 n PHE 979 Cb 0.43 -2.20 -0.12 0.00 -0.01 0.00 0.00 39.48 37.58 1uf2 n PHE 979 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1uf2 s THR 980 N 1.45 -0.02 0.23 4.37 -4.23 -1.21 -3.69 115.64 112.54 1uf2 s THR 980 Ca 0.45 0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.87 1uf2 s THR 980 Cb 0.12 -0.37 0.01 0.00 1.34 0.00 0.00 72.50 73.60 1uf2 s THR 980 CO -0.04 0.02 0.51 -0.83 -0.54 0.00 0.00 174.62 173.74 1uf2 s GLY 981 N 0.61 0.24 0.09 3.99 0.00 -0.50 -4.34 107.32 107.40 1uf2 s GLY 981 Ca -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1uf2 s GLY 981 CO -0.04 -0.45 0.10 0.99 0.00 0.00 0.00 173.10 173.70 1uf2 s ASP 982 N -2.95 5.60 -0.20 1.64 -0.00 -1.26 -1.54 116.67 117.96 1uf2 s ASP 982 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 52.55 52.66 1uf2 s ASP 982 Cb -0.01 -1.52 0.10 0.00 -0.00 0.00 0.00 42.92 41.48 1uf2 s ASP 982 CO 0.04 0.16 0.38 0.68 -0.00 0.00 0.00 175.17 176.43 1uf2 s VAL 983 N -1.43 -0.60 -0.19 -1.27 -7.23 -1.07 -4.99 120.40 103.62 1uf2 s VAL 983 Ca 0.30 0.12 -0.09 0.00 -1.81 0.00 0.00 61.98 60.50 1uf2 s VAL 983 Cb -0.12 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 1uf2 s VAL 983 CO 0.23 0.02 0.11 -0.69 -0.31 0.00 0.00 175.10 174.46 1uf2 s VAL 984 N 2.56 5.25 -0.03 1.32 1.01 -1.26 -1.07 120.40 128.18 1uf2 s VAL 984 Ca 0.03 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1uf2 s VAL 984 Cb -0.13 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1uf2 s VAL 984 CO -0.13 0.46 -0.00 -0.63 0.00 0.00 0.00 175.10 174.80 1uf2 s ILE 985 N 0.22 0.20 0.31 2.22 1.01 -0.41 -4.97 121.20 119.78 1uf2 s ILE 985 Ca 0.07 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 1uf2 s ILE 985 Cb -0.11 -0.29 -0.11 0.00 0.01 0.00 0.00 42.46 41.96 1uf2 s ILE 985 CO -0.01 0.15 1.55 -0.60 0.00 0.00 0.00 174.94 176.02 1uf2 s ARG 986 N 0.96 4.14 0.16 2.79 3.52 -1.26 -2.32 118.95 126.94 1uf2 s ARG 986 Ca -0.10 2.54 -0.12 0.00 -0.13 0.00 0.00 55.73 57.92 1uf2 s ARG 986 Cb -0.13 -3.02 0.05 0.00 -1.56 0.00 0.00 34.95 30.29 1uf2 s ARG 986 CO -0.01 -0.58 1.68 -0.44 -0.81 0.00 0.00 175.30 175.14 1uf2 h ASP 987 N 4.40 0.82 -3.57 -2.12 3.45 -1.29 -3.41 116.42 114.70 1uf2 h ASP 987 Ca -0.48 -0.22 -0.67 0.00 0.43 0.00 0.00 57.03 56.09 1uf2 h ASP 987 Cb 1.22 -0.21 -0.23 0.00 -0.56 0.00 0.00 39.33 39.55 1uf2 h ASP 987 CO 0.75 0.82 -0.73 -1.81 -1.57 0.00 0.00 179.24 176.70 1uf2 s ASP 988 N -6.18 4.29 0.44 6.45 1.11 -1.26 -5.09 116.67 116.42 1uf2 s ASP 988 Ca -0.13 -0.19 -0.26 0.00 0.18 0.00 0.00 52.55 52.15 1uf2 s ASP 988 Cb 0.12 -1.36 -0.09 0.00 1.07 0.00 0.00 42.92 42.67 1uf2 s ASP 988 CO 0.80 0.25 1.43 -2.84 1.18 0.00 0.00 175.17 176.00 1uf2 s PRO 989 N -0.17 3.76 0.51 8.23 0.02 -1.26 -4.94 135.00 141.15 1uf2 s PRO 989 Ca 0.01 2.43 -0.23 0.00 0.02 0.00 0.00 61.00 63.23 1uf2 s PRO 989 Cb -0.13 -2.71 -0.06 0.00 0.02 0.00 0.00 34.50 31.62 1uf2 s PRO 989 CO 0.03 -0.76 1.34 -0.06 -0.33 0.00 0.00 177.00 177.22 1uf2 s PHE 990 N -1.19 2.44 -0.47 6.54 0.40 -1.26 -4.94 117.98 119.50 1uf2 s PHE 990 Ca 0.60 1.38 -0.17 0.00 -0.60 0.00 0.00 56.93 58.14 1uf2 s PHE 990 Cb -0.44 -3.75 0.06 0.00 0.51 0.00 0.00 43.02 39.40 1uf2 s PHE 990 CO 0.57 -2.64 0.46 0.34 0.70 0.00 0.00 175.22 174.65 1uf2 s ASP 991 N -0.92 6.17 -0.35 1.36 2.15 -0.30 -5.00 116.67 119.78 1uf2 s ASP 991 Ca 0.67 -1.09 -0.16 0.00 0.43 0.00 0.00 52.55 52.40 1uf2 s ASP 991 Cb -0.39 -2.22 -0.01 0.00 -0.30 0.00 0.00 42.92 40.00 1uf2 s ASP 991 CO 0.47 -0.69 0.41 -0.69 -0.17 0.00 0.00 175.17 174.50 1uf2 s VAL 992 N 1.99 5.12 -0.26 1.11 1.01 -1.26 -1.59 120.40 126.51 1uf2 s VAL 992 Ca 0.08 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1uf2 s VAL 992 Cb -0.21 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1uf2 s VAL 992 CO 0.09 -0.14 0.93 0.26 0.00 0.00 0.00 175.10 176.24 1uf2 s TRP 993 N 2.12 3.27 -0.06 5.22 0.51 0.07 -4.96 118.94 125.11 1uf2 s TRP 993 Ca 0.14 1.18 -0.06 0.00 -2.12 0.00 0.00 56.10 55.24 1uf2 s TRP 993 Cb -0.16 -3.26 -0.02 0.00 -0.81 0.00 0.00 33.47 29.21 1uf2 s TRP 993 CO 0.12 -0.52 -0.12 -0.25 -0.51 0.00 0.00 176.95 175.67 1uf2 n ASP 994 N 6.29 0.72 -1.76 2.95 8.00 -1.26 -4.43 116.55 127.06 1uf2 n ASP 994 Ca 0.08 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.75 1uf2 n ASP 994 Cb 0.47 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 1uf2 n ASP 994 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uf2 n GLY 995 N 1.53 1.87 3.72 0.44 0.00 -1.26 -4.89 105.19 106.60 1uf2 n GLY 995 Ca -0.05 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 0.87 4.12 -0.39 1.61 1.01 -1.26 -4.99 120.40 121.36 1uf2 s VAL 996 Ca 0.07 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 1uf2 s VAL 996 Cb 0.03 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.50 1uf2 s VAL 996 CO 0.00 0.16 0.17 -0.54 0.00 0.00 0.00 175.10 174.90 1uf2 s LYS 997 N 0.67 2.00 -0.38 2.72 1.02 -1.26 -5.04 119.74 119.47 1uf2 s LYS 997 Ca 0.55 -1.77 -0.01 0.00 0.02 0.00 0.00 55.97 54.76 1uf2 s LYS 997 Cb -0.28 -3.51 0.10 0.00 -0.52 0.00 0.00 37.83 33.62 1uf2 s LYS 997 CO 0.31 -1.02 0.14 0.00 -0.92 0.00 0.00 175.35 173.86 1uf2 s ALA 998 N 1.13 3.05 0.09 5.17 0.00 -1.26 -4.93 121.76 125.01 1uf2 s ALA 998 Ca 0.07 -2.47 0.08 0.00 0.00 0.00 0.00 51.96 49.64 1uf2 s ALA 998 Cb -0.22 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1uf2 s ALA 998 CO -0.04 -1.72 -0.20 0.99 0.00 0.00 0.00 175.76 174.78 1uf2 s THR 999 N 1.09 1.65 0.51 0.00 2.01 -1.26 -5.08 115.64 114.55 1uf2 s THR 999 Ca 0.08 -1.44 -0.21 0.00 0.31 0.00 0.00 61.69 60.43 1uf2 s THR 999 Cb -0.21 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.75 1uf2 s THR 999 CO -0.05 -0.01 1.15 -0.31 -0.69 0.00 0.00 174.62 174.71 1uf2 s TYR 1000N -1.08 2.75 -0.02 4.92 4.12 -1.26 -3.99 117.35 122.78 1uf2 s TYR 1000Ca 0.06 1.54 0.02 0.00 0.02 0.00 0.00 57.07 58.71 1uf2 s TYR 1000Cb -0.10 -3.33 0.00 0.00 -1.52 0.00 0.00 41.96 37.01 1uf2 s TYR 1000CO 0.03 -1.56 -0.09 0.42 0.02 0.00 0.00 175.55 174.38 1uf2 s ILE 1001N -1.68 0.74 0.33 2.71 1.01 -0.17 -4.92 121.20 119.23 1uf2 s ILE 1001Ca 0.69 -0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 1uf2 s ILE 1001Cb -0.26 -0.65 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 1uf2 s ILE 1001CO 0.30 0.23 0.84 -2.16 0.00 0.00 0.00 174.94 174.15 1uf2 s PRO 1002N 0.08 4.25 0.73 2.79 0.04 -1.26 -1.27 135.00 140.36 1uf2 s PRO 1002Ca -0.01 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 61.95 1uf2 s PRO 1002Cb -0.07 -2.53 0.08 0.00 0.04 0.00 0.00 34.50 32.02 1uf2 s PRO 1002CO 0.00 0.18 1.04 0.96 0.04 0.00 0.00 177.00 179.22 1uf2 s ILE 1003N -1.86 2.24 0.00 0.56 -0.00 -0.81 -4.95 121.20 116.39 1uf2 s ILE 1003Ca 0.53 -0.29 0.00 0.00 -0.00 0.00 0.00 60.65 60.89 1uf2 s ILE 1003Cb -0.13 -2.96 0.00 0.00 -0.00 0.00 0.00 42.46 39.37 1uf2 s ILE 1003CO 0.18 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.73 1uf2 n GLY 1004N -2.98 -2.13 3.80 6.27 0.00 -1.26 -4.90 105.19 103.99 1uf2 n GLY 1004Ca 0.09 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1uf2 n GLY 1004CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uf2 s VAL 1005N 0.00 3.80 0.07 1.61 -7.23 -1.26 -4.96 120.40 112.43 1uf2 s VAL 1005Ca 0.00 0.80 -0.27 0.00 -1.81 0.00 0.00 61.98 60.70 1uf2 s VAL 1005Cb 0.00 -3.35 0.08 0.00 0.56 0.00 0.00 36.38 33.67 1uf2 s VAL 1005CO 0.00 -0.56 0.90 -1.38 -0.31 0.00 0.00 175.10 173.75 1uf2 s HIS 1006N -2.56 -0.27 -0.11 2.82 -0.00 -0.87 -5.07 115.29 109.23 1uf2 s HIS 1006Ca 0.63 0.06 -0.30 0.00 -0.00 0.00 0.00 55.06 55.45 1uf2 s HIS 1006Cb -0.16 0.58 -0.03 0.00 -0.00 0.00 0.00 32.58 32.97 1uf2 s HIS 1006CO 0.41 -0.68 1.36 0.20 -0.00 0.00 0.00 174.74 176.02 1uf2 s GLY 1007N -2.68 1.70 -0.18 -1.38 0.00 -1.26 -4.40 107.32 99.11 1uf2 s GLY 1007Ca 0.08 0.63 -0.07 0.00 0.00 0.00 0.00 44.72 45.35 1uf2 s GLY 1007CO -0.05 2.58 0.06 0.14 0.00 0.00 0.00 173.10 175.84 1uf2 s VAL 1008N 3.33 4.77 -0.18 1.40 1.01 -1.20 -5.07 120.40 124.46 1uf2 s VAL 1008Ca 0.60 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1uf2 s VAL 1008Cb -0.26 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1uf2 s VAL 1008CO 0.20 0.46 0.01 0.00 0.00 0.00 0.00 175.10 175.77 1uf2 s ARG 1009N 0.38 3.76 -0.43 2.72 1.70 -1.26 -4.78 118.95 121.03 1uf2 s ARG 1009Ca 0.03 -0.46 -0.22 0.00 -0.47 0.00 0.00 55.73 54.61 1uf2 s ARG 1009Cb -0.12 -3.07 0.02 0.00 -0.57 0.00 0.00 34.95 31.21 1uf2 s ARG 1009CO 0.00 0.18 0.73 -0.51 -1.08 0.00 0.00 175.30 174.62 1uf2 s LEU 1010N 0.58 4.32 0.22 -1.89 1.43 -1.26 -5.00 118.68 117.07 1uf2 s LEU 1010Ca -0.00 -0.13 -0.32 0.00 -1.03 0.00 0.00 54.13 52.65 1uf2 s LEU 1010Cb -0.14 -2.88 -0.14 0.00 0.03 0.00 0.00 46.19 43.06 1uf2 s LEU 1010CO 0.02 -0.84 1.33 0.47 0.23 0.00 0.00 176.35 177.56 1uf2 n ASP 1011N 6.50 2.30 -4.80 2.29 8.00 -1.26 -4.64 116.55 124.94 1uf2 n ASP 1011Ca 0.01 1.14 -0.34 0.00 0.71 0.00 0.00 54.79 56.31 1uf2 n ASP 1011Cb 0.48 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.20 1uf2 n ASP 1011CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1uf2 s PRO 1012N -0.38 3.65 0.50 -0.24 0.04 -1.26 -4.92 135.00 132.40 1uf2 s PRO 1012Ca 0.70 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 1uf2 s PRO 1012Cb -0.72 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 1uf2 s PRO 1012CO 0.50 -0.55 1.06 -0.80 0.04 0.00 0.00 177.00 177.26 1uf2 s ASN 1013N -2.22 6.16 -0.29 6.66 0.01 -1.08 -4.91 114.94 119.26 1uf2 s ASN 1013Ca 0.66 1.99 -0.30 0.00 -0.71 0.00 0.00 52.86 54.51 1uf2 s ASN 1013Cb -0.16 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 1uf2 s ASN 1013CO 0.25 -0.91 2.25 0.61 -1.51 0.00 0.00 177.10 177.78 1uf2 n GLY 1014N -0.15 0.77 0.00 0.66 0.00 -1.26 -4.94 105.19 100.26 1uf2 n GLY 1014Ca 0.10 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1uf2 n GLY 1014CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uf2 n ASP 1015N 11.65 0.00 0.00 1.61 3.85 -1.26 -5.20 116.55 127.20 1uf2 n ASP 1015Ca 0.34 -0.77 0.00 0.00 -0.71 0.00 0.00 54.79 53.65 1uf2 n ASP 1015Cb 0.39 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 1uf2 n ASP 1015CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19