#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf3 n ARG 3 N 0.00 0.77 -1.68 5.56 1.74 -1.26 -5.11 116.66 116.68 1uf3 n ARG 3 Ca 0.00 -3.59 -0.40 0.00 -0.77 0.00 0.00 57.85 53.09 1uf3 n ARG 3 Cb 0.00 1.09 0.02 0.00 -1.02 0.00 0.00 32.46 32.55 1uf3 n ARG 3 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1uf3 n THR 4 N -1.19 2.80 -2.78 0.55 5.66 -1.26 -4.75 114.28 113.31 1uf3 n THR 4 Ca -0.19 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 59.90 1uf3 n THR 4 Cb 0.62 -1.47 -0.03 0.00 -1.55 0.00 0.00 70.33 67.90 1uf3 n THR 4 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1uf3 s VAL 5 N -1.25 4.82 0.00 1.08 1.01 0.14 -4.86 120.40 121.34 1uf3 s VAL 5 Ca 0.64 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.47 1uf3 s VAL 5 Cb -0.50 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1uf3 s VAL 5 CO 0.56 0.00 0.00 -1.14 0.00 0.00 0.00 175.10 174.52 1uf3 n ARG 6 N 5.21 0.00 -4.13 2.72 0.63 -1.26 -4.90 116.66 114.93 1uf3 n ARG 6 Ca 0.07 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.65 1uf3 n ARG 6 Cb 0.49 -0.76 -0.13 0.00 0.45 0.00 0.00 32.46 32.51 1uf3 n ARG 6 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uf3 s TYR 7 N -1.70 3.02 -0.14 -0.14 1.51 -1.26 -0.56 117.35 118.08 1uf3 s TYR 7 Ca 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1uf3 s TYR 7 Cb 0.00 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1uf3 s TYR 7 CO 0.00 -0.25 -0.15 0.42 -1.11 0.00 0.00 175.55 174.46 1uf3 s ILE 8 N 0.94 2.82 -0.22 2.71 1.01 -0.45 0.16 121.20 128.18 1uf3 s ILE 8 Ca 0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 1uf3 s ILE 8 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1uf3 s ILE 8 CO 0.02 0.52 0.48 -0.22 0.00 0.00 0.00 174.94 175.74 1uf3 s LEU 9 N 0.54 4.12 0.06 2.97 2.96 0.78 0.82 118.68 130.94 1uf3 s LEU 9 Ca -0.09 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1uf3 s LEU 9 Cb -0.16 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1uf3 s LEU 9 CO 0.04 -0.18 -0.07 0.00 -1.32 0.00 0.00 176.35 174.81 1uf3 s ALA 10 N 1.75 0.74 0.21 5.97 0.00 0.40 -1.45 121.76 129.39 1uf3 s ALA 10 Ca 0.21 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 1uf3 s ALA 10 Cb -0.15 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.11 1uf3 s ALA 10 CO 0.09 -0.10 0.91 -0.08 0.00 0.00 0.00 175.76 176.58 1uf3 s THR 11 N -2.24 0.00 0.12 0.00 -1.32 -1.03 -1.31 115.64 109.86 1uf3 s THR 11 Ca -0.01 -0.76 -0.07 0.00 -1.21 0.00 0.00 61.69 59.64 1uf3 s THR 11 Cb -0.04 -2.29 -0.01 0.00 -1.51 0.00 0.00 72.50 68.64 1uf3 s THR 11 CO -0.02 0.00 0.18 -0.94 -2.21 0.00 0.00 174.62 171.64 1uf3 s SER 12 N -3.05 0.16 -1.21 8.08 1.04 -0.70 -2.03 113.70 115.99 1uf3 s SER 12 Ca 0.14 -0.87 -0.15 0.00 0.48 0.00 0.00 55.95 55.55 1uf3 s SER 12 Cb -0.03 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 1uf3 s SER 12 CO 0.05 -0.78 0.70 -3.20 0.98 0.00 0.00 173.24 170.99 1uf3 n ASN 13 N -0.11 -3.90 0.00 7.02 5.15 -0.50 0.78 115.26 123.71 1uf3 n ASN 13 Ca -0.10 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.87 1uf3 n ASN 13 Cb 0.63 -3.34 0.00 0.00 -0.53 0.00 0.00 39.78 36.54 1uf3 n ASN 13 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1uf3 n PRO 14 N -4.25 0.00 0.00 1.20 -0.04 -0.97 -2.47 135.00 128.47 1uf3 n PRO 14 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1uf3 n PRO 14 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1uf3 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uf3 n GLY 16 N 1.61 0.00 3.51 0.55 0.00 0.16 -4.18 105.19 106.83 1uf3 n GLY 16 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1uf3 n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uf3 n ASP 17 N 0.00 4.01 -0.36 1.61 -0.08 -1.26 -4.77 116.55 115.70 1uf3 n ASP 17 Ca 0.00 -2.81 0.07 0.00 -1.51 0.00 0.00 54.79 50.54 1uf3 n ASP 17 Cb 0.00 -1.71 0.24 0.00 2.34 0.00 0.00 41.12 41.99 1uf3 n ASP 17 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1uf3 h LEU 18 N 14.56 0.93 -0.80 -2.67 3.38 -1.96 -1.60 115.31 127.15 1uf3 h LEU 18 Ca 0.36 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1uf3 h LEU 18 Cb 0.87 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1uf3 h LEU 18 CO 1.42 0.50 0.47 -0.08 0.09 0.00 0.00 178.44 180.83 1uf3 h GLU 19 N 1.00 1.10 -0.20 1.13 4.81 -2.00 0.15 114.58 120.58 1uf3 h GLU 19 Ca 0.49 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 1uf3 h GLU 19 Cb 0.48 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1uf3 h GLU 19 CO -0.26 0.79 -0.41 0.00 -0.73 0.00 0.00 179.01 178.40 1uf3 h ALA 20 N 1.25 0.93 -0.46 2.92 0.00 -1.78 -2.32 119.26 119.81 1uf3 h ALA 20 Ca 0.29 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1uf3 h ALA 20 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1uf3 h ALA 20 CO -0.05 0.63 0.23 1.25 0.00 0.00 0.00 179.25 181.31 1uf3 h LEU 21 N 0.38 0.59 -0.24 0.00 6.46 -0.43 0.33 115.31 122.40 1uf3 h LEU 21 Ca 0.03 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1uf3 h LEU 21 Cb 0.88 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1uf3 h LEU 21 CO 0.07 0.54 0.15 -0.33 -0.62 0.00 0.00 178.44 178.26 1uf3 h GLU 22 N 0.60 0.29 -0.64 1.25 5.08 -0.86 0.30 114.58 120.60 1uf3 h GLU 22 Ca 0.16 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1uf3 h GLU 22 Cb 0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1uf3 h GLU 22 CO -0.02 0.19 0.36 0.87 -1.00 0.00 0.00 179.01 179.42 1uf3 h LYS 23 N 0.30 0.88 -0.54 2.33 1.57 -1.04 0.21 116.57 120.29 1uf3 h LYS 23 Ca 0.09 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1uf3 h LYS 23 Cb -0.02 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 1uf3 h LYS 23 CO -0.03 0.66 0.26 0.35 -0.57 0.00 0.00 179.45 180.11 1uf3 h PHE 24 N 0.87 0.47 -0.29 -1.35 3.57 0.31 -1.94 116.94 118.57 1uf3 h PHE 24 Ca 0.23 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1uf3 h PHE 24 Cb 0.02 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1uf3 h PHE 24 CO -0.01 0.21 -0.09 0.28 -2.23 0.00 0.00 178.31 176.46 1uf3 h VAL 25 N 0.49 1.29 0.00 1.41 2.07 0.16 -2.87 116.25 118.80 1uf3 h VAL 25 Ca 0.25 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1uf3 h VAL 25 Cb 0.19 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1uf3 h VAL 25 CO -0.19 0.36 0.00 0.11 0.02 0.00 0.00 177.57 177.87 1uf3 h LYS 26 N 0.33 0.00 0.00 1.57 1.57 -0.28 -2.19 116.57 117.57 1uf3 h LYS 26 Ca 0.07 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 1uf3 h LYS 26 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1uf3 h LYS 26 CO 0.03 0.00 -1.03 -0.07 -0.57 0.00 0.00 179.45 177.81 1uf3 h LEU 27 N 0.00 0.00 -0.93 2.94 3.38 -1.13 -3.39 115.31 116.18 1uf3 h LEU 27 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1uf3 h LEU 27 Cb 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.73 1uf3 h LEU 27 CO 0.00 0.92 -0.52 0.00 0.09 0.00 0.00 178.44 178.93 1uf3 n ALA 28 N -2.36 -0.51 -0.32 1.53 0.00 -0.82 -1.09 120.51 116.93 1uf3 n ALA 28 Ca -0.02 0.81 0.01 0.00 0.00 0.00 0.00 53.44 54.24 1uf3 n ALA 28 Cb 0.92 -0.18 0.19 0.00 0.00 0.00 0.00 19.45 20.39 1uf3 n ALA 28 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1uf3 h PRO 29 N 0.00 1.12 0.00 0.00 0.13 -1.79 -2.11 132.00 129.36 1uf3 h PRO 29 Ca 0.18 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.17 1uf3 h PRO 29 Cb 0.41 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1uf3 h PRO 29 CO -0.88 0.74 -0.32 -0.44 -0.23 0.00 0.00 178.00 176.87 1uf3 h ASP 30 N 1.15 0.00 1.46 1.44 3.45 -1.35 -2.73 116.42 119.84 1uf3 h ASP 30 Ca 0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.83 1uf3 h ASP 30 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1uf3 h ASP 30 CO -0.12 0.32 -0.12 0.00 -1.57 0.00 0.00 179.24 177.76 1uf3 h THR 31 N 0.00 0.00 -0.45 0.35 1.03 -0.62 -3.47 112.91 109.75 1uf3 h THR 31 Ca -0.00 -0.58 -0.12 0.00 -0.01 0.00 0.00 66.41 65.69 1uf3 h THR 31 Cb 0.57 1.51 -0.04 0.00 -1.07 0.00 0.00 68.15 69.12 1uf3 h THR 31 CO 0.04 0.00 -0.12 0.61 -0.01 0.00 0.00 175.52 176.04 1uf3 n GLY 32 N 1.27 0.64 3.77 2.99 0.00 -1.01 -4.99 105.19 107.86 1uf3 n GLY 32 Ca 0.05 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1uf3 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf3 s ALA 33 N -2.24 3.18 -0.12 4.61 0.00 -1.19 -4.81 121.76 121.18 1uf3 s ALA 33 Ca 0.00 1.26 0.21 0.00 0.00 0.00 0.00 51.96 53.43 1uf3 s ALA 33 Cb 0.00 -3.50 -0.20 0.00 0.00 0.00 0.00 23.12 19.41 1uf3 s ALA 33 CO 0.00 -0.94 0.65 -0.25 0.00 0.00 0.00 175.76 175.22 1uf3 n ASP 34 N -0.12 0.37 -3.79 0.00 8.00 0.12 -4.94 116.55 116.19 1uf3 n ASP 34 Ca 0.05 0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.62 1uf3 n ASP 34 Cb 0.44 1.17 -0.03 0.00 -0.02 0.00 0.00 41.12 42.68 1uf3 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf3 s ALA 35 N -3.27 -1.10 -0.03 2.24 0.00 -1.03 -4.19 121.76 114.37 1uf3 s ALA 35 Ca -0.05 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1uf3 s ALA 35 Cb 0.11 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 24.11 1uf3 s ALA 35 CO 0.85 -0.94 -0.13 0.42 0.00 0.00 0.00 175.76 175.97 1uf3 s ILE 36 N -3.90 1.06 -0.07 0.00 1.01 -0.31 -0.16 121.20 118.84 1uf3 s ILE 36 Ca 0.11 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1uf3 s ILE 36 Cb -0.04 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1uf3 s ILE 36 CO 0.03 0.32 -0.14 0.00 0.00 0.00 0.00 174.94 175.14 1uf3 s ALA 37 N 0.09 1.41 -0.04 9.38 0.00 -0.53 -1.13 121.76 130.94 1uf3 s ALA 37 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1uf3 s ALA 37 Cb -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1uf3 s ALA 37 CO 0.01 0.16 -0.05 -1.17 0.00 0.00 0.00 175.76 174.72 1uf3 s LEU 38 N 0.51 1.37 0.01 0.00 0.20 0.01 -2.48 118.68 118.31 1uf3 s LEU 38 Ca -0.13 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.57 1uf3 s LEU 38 Cb -0.15 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.12 1uf3 s LEU 38 CO 0.04 -0.04 0.03 -0.63 -0.29 0.00 0.00 176.35 175.46 1uf3 s ILE 39 N 0.85 4.35 1.26 6.68 1.01 -0.86 -2.57 121.20 131.91 1uf3 s ILE 39 Ca -0.11 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 1uf3 s ILE 39 Cb -0.14 -2.98 0.32 0.00 0.01 0.00 0.00 42.46 39.67 1uf3 s ILE 39 CO 0.00 0.33 0.95 0.61 0.00 0.00 0.00 174.94 176.84 1uf3 n GLY 40 N 1.20 -3.24 3.73 6.18 0.00 -0.28 -1.40 105.19 111.38 1uf3 n GLY 40 Ca -0.13 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1uf3 n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uf3 s ASN 41 N -3.81 6.99 0.26 1.61 0.01 -1.26 -2.35 114.94 116.39 1uf3 s ASN 41 Ca 0.66 2.26 0.25 0.00 -0.71 0.00 0.00 52.86 55.31 1uf3 s ASN 41 Cb -0.08 -2.60 0.95 0.00 0.41 0.00 0.00 41.25 39.92 1uf3 s ASN 41 CO 0.52 -0.48 1.74 0.18 -1.51 0.00 0.00 177.10 177.55 1uf3 n LEU 42 N 3.03 0.75 -4.83 0.60 4.77 -1.26 -2.29 117.00 117.76 1uf3 n LEU 42 Ca 0.07 0.65 -0.21 0.00 -0.03 0.00 0.00 56.01 56.48 1uf3 n LEU 42 Cb 0.44 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1uf3 n LEU 42 CO 0.57 -0.47 -0.11 -2.16 -1.33 0.00 0.00 177.39 173.88 1uf3 s PRO 44 N -3.27 2.75 0.35 3.23 0.04 -1.26 0.36 135.00 137.19 1uf3 s PRO 44 Ca 0.06 -1.25 0.12 0.00 0.04 0.00 0.00 61.00 59.97 1uf3 s PRO 44 Cb 0.10 -2.48 0.94 0.00 0.04 0.00 0.00 34.50 33.11 1uf3 s PRO 44 CO 0.45 0.18 1.76 -0.22 0.04 0.00 0.00 177.00 179.21 1uf3 h LYS 45 N 1.34 0.53 -0.07 4.56 3.64 -1.90 -1.96 116.57 122.71 1uf3 h LYS 45 Ca -0.46 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1uf3 h LYS 45 Cb 1.25 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1uf3 h LYS 45 CO 0.59 0.35 -0.04 0.00 -2.27 0.00 0.00 179.45 178.08 1uf3 h ALA 46 N 1.67 1.81 -2.29 5.00 0.00 -1.90 -3.45 119.26 120.11 1uf3 h ALA 46 Ca 0.61 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.89 1uf3 h ALA 46 Cb 1.26 -0.04 0.20 0.00 0.00 0.00 0.00 17.79 19.21 1uf3 h ALA 46 CO -0.38 0.14 -0.61 0.00 0.00 0.00 0.00 179.25 178.40 1uf3 n ALA 47 N -2.52 -2.31 -2.56 0.00 0.00 -0.74 -5.03 120.51 107.36 1uf3 n ALA 47 Ca -0.02 -0.41 -0.27 0.00 0.00 0.00 0.00 53.44 52.74 1uf3 n ALA 47 Cb 0.16 -1.76 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 1uf3 n ALA 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uf3 s LYS 48 N -2.97 2.01 0.21 0.00 1.02 -1.26 -4.96 119.74 113.79 1uf3 s LYS 48 Ca 0.60 -2.24 -0.15 0.00 0.02 0.00 0.00 55.97 54.20 1uf3 s LYS 48 Cb -0.29 -0.74 0.23 0.00 -0.52 0.00 0.00 37.83 36.51 1uf3 s LYS 48 CO 0.64 -0.49 1.61 0.77 -0.92 0.00 0.00 175.35 176.96 1uf3 h SER 49 N 1.68 -0.76 -0.23 2.83 0.02 -1.96 0.32 113.55 115.45 1uf3 h SER 49 Ca -0.36 0.21 0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1uf3 h SER 49 Cb 1.28 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1uf3 h SER 49 CO 0.58 -0.25 0.23 0.08 -1.14 0.00 0.00 176.83 176.34 1uf3 h ARG 50 N -0.04 0.00 -0.19 3.45 0.11 -1.97 -0.20 114.38 115.53 1uf3 h ARG 50 Ca 0.30 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.20 1uf3 h ARG 50 Cb 0.51 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.60 1uf3 h ARG 50 CO -0.69 0.00 -0.59 -0.44 0.10 0.00 0.00 179.97 178.35 1uf3 h ASP 51 N 0.00 0.85 0.14 0.08 3.32 -0.77 -2.08 116.42 117.97 1uf3 h ASP 51 Ca 0.11 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1uf3 h ASP 51 Cb 0.57 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1uf3 h ASP 51 CO -0.00 1.29 -0.46 1.88 -1.72 0.00 0.00 179.24 180.23 1uf3 h TYR 52 N 0.46 0.45 -0.35 4.55 -1.99 -0.78 -2.11 116.97 117.20 1uf3 h TYR 52 Ca -0.02 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.59 1uf3 h TYR 52 Cb 1.21 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.82 1uf3 h TYR 52 CO 0.09 0.77 0.19 0.00 -0.00 0.00 0.00 178.16 179.20 1uf3 h ALA 53 N 1.21 0.43 -0.60 3.88 0.00 -0.98 0.72 119.26 123.92 1uf3 h ALA 53 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1uf3 h ALA 53 Cb 0.93 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1uf3 h ALA 53 CO 0.08 -0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.35 1uf3 h ALA 54 N 1.17 0.79 0.22 0.00 0.00 -1.19 -1.79 119.26 118.45 1uf3 h ALA 54 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uf3 h ALA 54 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1uf3 h ALA 54 CO -0.09 0.45 -0.13 0.35 0.00 0.00 0.00 179.25 179.83 1uf3 h PHE 55 N 0.86 -0.34 0.00 0.00 3.57 -0.85 -2.44 116.94 117.73 1uf3 h PHE 55 Ca 0.20 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1uf3 h PHE 55 Cb 0.28 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1uf3 h PHE 55 CO 0.02 -0.21 -0.23 0.74 -2.23 0.00 0.00 178.31 176.40 1uf3 h PHE 56 N -0.34 0.00 -0.42 0.41 0.05 -0.79 -1.05 116.94 114.80 1uf3 h PHE 56 Ca -0.02 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.68 1uf3 h PHE 56 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 1uf3 h PHE 56 CO -0.09 0.23 -0.08 -0.09 -0.18 0.00 0.00 178.31 178.10 1uf3 h ARG 57 N 0.00 0.81 -0.38 1.51 2.43 -1.09 -0.75 114.38 116.92 1uf3 h ARG 57 Ca -0.00 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.79 1uf3 h ARG 57 Cb 0.44 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1uf3 h ARG 57 CO 0.03 0.92 -0.05 0.82 -1.51 0.00 0.00 179.97 180.18 1uf3 h ILE 58 N 0.63 1.27 -0.54 1.20 2.04 -0.98 -3.07 117.51 118.06 1uf3 h ILE 58 Ca 0.11 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1uf3 h ILE 58 Cb 0.61 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1uf3 h ILE 58 CO 0.04 0.36 0.21 0.25 0.00 0.00 0.00 178.15 179.01 1uf3 h LEU 59 N 0.51 0.72 -1.22 1.44 6.46 -1.02 -2.58 115.31 119.62 1uf3 h LEU 59 Ca 0.10 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1uf3 h LEU 59 Cb 0.55 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1uf3 h LEU 59 CO 0.03 0.66 0.00 0.77 -0.62 0.00 0.00 178.44 179.28 1uf3 h SER 60 N 0.78 0.00 0.65 1.25 4.64 -1.03 -2.39 113.55 117.44 1uf3 h SER 60 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1uf3 h SER 60 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1uf3 h SER 60 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 1uf3 n GLU 61 N -2.42 0.01 -0.07 4.77 1.02 -0.97 -2.95 120.64 120.04 1uf3 n GLU 61 Ca 0.00 0.20 -0.06 0.00 -0.02 0.00 0.00 57.16 57.28 1uf3 n GLU 61 Cb 0.16 -1.52 0.13 0.00 -0.02 0.00 0.00 31.44 30.19 1uf3 n GLU 61 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uf3 h ALA 62 N 2.61 0.97 -5.74 0.62 0.00 -1.62 -3.47 119.26 112.63 1uf3 h ALA 62 Ca 0.00 -0.34 -0.38 0.00 0.00 0.00 0.00 54.91 54.19 1uf3 h ALA 62 Cb 0.32 -0.16 0.14 0.00 0.00 0.00 0.00 17.79 18.10 1uf3 h ALA 62 CO 0.00 0.60 -0.69 0.72 0.00 0.00 0.00 179.25 179.89 1uf3 n HIS 63 N -4.14 -2.73 -4.05 0.00 8.25 -1.15 -4.97 115.22 106.43 1uf3 n HIS 63 Ca 0.01 0.99 -0.09 0.00 -0.26 0.00 0.00 57.72 58.37 1uf3 n HIS 63 Cb 0.40 -5.00 -0.11 0.00 1.12 0.00 0.00 29.99 26.40 1uf3 n HIS 63 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uf3 s LEU 64 N -7.05 2.37 0.14 2.41 1.43 -1.26 -5.10 118.68 111.62 1uf3 s LEU 64 Ca 0.47 -0.75 -0.34 0.00 -1.03 0.00 0.00 54.13 52.48 1uf3 s LEU 64 Cb -0.21 0.09 -0.14 0.00 0.03 0.00 0.00 46.19 45.96 1uf3 s LEU 64 CO 0.72 -0.42 1.54 -2.65 0.23 0.00 0.00 176.35 175.77 1uf3 n PRO 65 N 0.83 1.95 -3.74 1.29 -0.02 -1.26 -4.81 135.00 129.24 1uf3 n PRO 65 Ca -0.19 0.70 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 1uf3 n PRO 65 Cb 0.58 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 1uf3 n PRO 65 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uf3 s THR 66 N 0.91 -0.08 0.05 3.45 2.01 -0.53 -1.16 115.64 120.30 1uf3 s THR 66 Ca 0.80 0.27 0.08 0.00 0.31 0.00 0.00 61.69 63.15 1uf3 s THR 66 Cb -0.73 -0.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1uf3 s THR 66 CO 0.40 0.11 -0.23 0.00 -0.69 0.00 0.00 174.62 174.21 1uf3 s ALA 67 N 1.35 1.93 0.13 7.40 0.00 -0.28 0.43 121.76 132.72 1uf3 s ALA 67 Ca -0.06 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 1uf3 s ALA 67 Cb -0.13 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1uf3 s ALA 67 CO -0.03 0.44 0.34 1.52 0.00 0.00 0.00 175.76 178.02 1uf3 s TYR 68 N -0.85 -0.01 0.01 0.00 1.13 -0.75 -0.81 117.35 116.08 1uf3 s TYR 68 Ca 0.09 -0.35 0.01 0.00 -1.41 0.00 0.00 57.07 55.41 1uf3 s TYR 68 Cb -0.09 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.89 1uf3 s TYR 68 CO 0.02 -0.68 -0.04 0.14 -2.51 0.00 0.00 175.55 172.48 1uf3 s VAL 69 N -3.85 0.27 0.72 -3.49 -7.23 -1.06 -1.02 120.40 104.74 1uf3 s VAL 69 Ca 0.06 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 1uf3 s VAL 69 Cb 0.03 -0.31 0.02 0.00 0.56 0.00 0.00 36.38 36.67 1uf3 s VAL 69 CO -0.09 -0.19 1.07 -2.16 -0.31 0.00 0.00 175.10 173.41 1uf3 s PRO 70 N -0.81 2.74 0.56 4.82 0.04 -1.26 -1.13 135.00 139.97 1uf3 s PRO 70 Ca -0.06 1.02 0.09 0.00 0.04 0.00 0.00 61.00 62.09 1uf3 s PRO 70 Cb -0.06 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.60 1uf3 s PRO 70 CO -0.00 -1.25 0.73 0.20 0.04 0.00 0.00 177.00 176.71 1uf3 s GLY 71 N -3.68 1.82 0.55 0.56 0.00 -1.26 -0.07 107.32 105.24 1uf3 s GLY 71 Ca 0.59 -2.01 0.24 0.00 0.00 0.00 0.00 44.72 43.53 1uf3 s GLY 71 CO 0.55 -1.71 2.09 -2.55 0.00 0.00 0.00 173.10 171.49 1uf3 h PRO 72 N 0.28 0.00 -0.01 2.90 0.11 -1.80 -2.08 132.00 131.40 1uf3 h PRO 72 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1uf3 h PRO 72 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uf3 h PRO 72 CO 0.43 0.00 -0.36 1.04 -0.21 0.00 0.00 178.00 178.90 1uf3 n GLN 73 N -4.22 0.66 -1.13 1.05 6.02 -1.26 -0.72 117.38 117.77 1uf3 n GLN 73 Ca 0.02 -0.42 -0.29 0.00 -0.01 0.00 0.00 57.00 56.31 1uf3 n GLN 73 Cb 0.33 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 1uf3 n GLN 73 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1uf3 n ASP 74 N -0.81 7.20 -4.49 1.08 8.00 -0.78 -3.30 116.55 123.46 1uf3 n ASP 74 Ca 0.10 -2.50 -0.26 0.00 0.71 0.00 0.00 54.79 52.84 1uf3 n ASP 74 Cb 0.36 -1.44 -0.10 0.00 -0.02 0.00 0.00 41.12 39.91 1uf3 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf3 s ALA 75 N 2.00 2.73 0.53 2.24 0.00 -1.26 -3.99 121.76 124.00 1uf3 s ALA 75 Ca 0.64 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 1uf3 s ALA 75 Cb 0.21 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1uf3 s ALA 75 CO -0.04 0.41 1.16 -1.25 0.00 0.00 0.00 175.76 176.04 1uf3 s PRO 76 N -2.89 3.39 0.30 0.00 0.04 -1.20 -4.89 135.00 129.75 1uf3 s PRO 76 Ca 0.24 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.03 1uf3 s PRO 76 Cb -0.08 -2.10 0.74 0.00 0.04 0.00 0.00 34.50 33.10 1uf3 s PRO 76 CO 0.13 -0.84 1.74 0.97 0.04 0.00 0.00 177.00 179.04 1uf3 h ILE 77 N 1.32 0.61 0.00 0.56 6.09 -0.91 -2.79 117.51 122.40 1uf3 h ILE 77 Ca -0.50 -0.21 -0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1uf3 h ILE 77 Cb 1.26 -0.05 -0.00 0.00 0.47 0.00 0.00 36.82 38.51 1uf3 h ILE 77 CO 0.57 0.11 -0.01 -0.50 -3.07 0.00 0.00 178.15 175.25 1uf3 h TRP 78 N 0.61 0.00 0.02 2.19 4.06 -1.90 -1.88 115.95 119.05 1uf3 h TRP 78 Ca 0.57 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.45 1uf3 h TRP 78 Cb 0.98 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1uf3 h TRP 78 CO -0.05 0.01 -0.29 0.93 -3.56 0.00 0.00 178.44 175.48 1uf3 h GLU 79 N 0.00 0.16 -0.20 0.49 5.08 -1.86 -1.36 114.58 116.90 1uf3 h GLU 79 Ca -0.00 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1uf3 h GLU 79 Cb 0.15 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1uf3 h GLU 79 CO 0.00 0.99 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.98 1uf3 h TYR 80 N -0.57 -0.22 -0.19 4.33 3.20 -1.63 -2.13 116.97 119.77 1uf3 h TYR 80 Ca -0.04 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1uf3 h TYR 80 Cb 1.11 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1uf3 h TYR 80 CO 0.20 -0.15 0.08 1.25 -1.64 0.00 0.00 178.16 177.91 1uf3 h LEU 81 N -0.07 0.12 -0.72 2.82 5.85 -1.39 -0.55 115.31 121.37 1uf3 h LEU 81 Ca 0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1uf3 h LEU 81 Cb 0.23 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1uf3 h LEU 81 CO -0.24 0.10 0.39 -0.09 -0.34 0.00 0.00 178.44 178.26 1uf3 h ARG 82 N 0.18 1.00 0.00 1.25 9.65 -1.15 0.56 114.38 125.87 1uf3 h ARG 82 Ca 0.08 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 1uf3 h ARG 82 Cb 0.03 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 1uf3 h ARG 82 CO -0.06 0.74 -0.26 0.93 2.80 0.00 0.00 179.97 184.12 1uf3 h GLU 83 N 0.99 0.00 -0.01 0.20 4.39 -1.19 -0.00 114.58 118.96 1uf3 h GLU 83 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1uf3 h GLU 83 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1uf3 h GLU 83 CO -0.04 0.26 -0.03 0.00 -1.16 0.00 0.00 179.01 178.04 1uf3 h ALA 84 N 1.74 0.01 -0.45 3.43 0.00 -0.35 -2.43 119.26 121.21 1uf3 h ALA 84 Ca -0.00 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.65 1uf3 h ALA 84 Cb 0.98 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1uf3 h ALA 84 CO 0.03 -0.14 0.02 0.00 0.00 0.00 0.00 179.25 179.17 1uf3 h ALA 85 N 0.36 0.44 0.31 0.00 0.00 0.26 -0.38 119.26 120.24 1uf3 h ALA 85 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uf3 h ALA 85 Cb 0.68 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1uf3 h ALA 85 CO 0.01 -0.37 -0.31 -0.91 0.00 0.00 0.00 179.25 177.66 1uf3 h ASN 86 N 0.14 -0.85 0.12 0.00 2.35 -1.00 -2.19 115.58 114.15 1uf3 h ASN 86 Ca 0.23 0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1uf3 h ASN 86 Cb 0.32 0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1uf3 h ASN 86 CO -0.35 -0.44 -0.25 1.62 -1.65 0.00 0.00 177.43 176.35 1uf3 h VAL 87 N -0.65 1.24 0.00 2.81 3.04 -1.18 -2.89 116.25 118.61 1uf3 h VAL 87 Ca -0.01 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 1uf3 h VAL 87 Cb 0.60 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1uf3 h VAL 87 CO -0.06 0.34 0.00 -0.33 -1.01 0.00 0.00 177.57 176.50 1uf3 h GLU 88 N 0.22 0.00 0.17 4.17 5.08 -0.83 -2.19 114.58 121.20 1uf3 h GLU 88 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1uf3 h GLU 88 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1uf3 h GLU 88 CO 0.04 0.00 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.82 1uf3 h LEU 89 N 0.00 -0.42 -1.29 1.33 3.38 -1.18 -3.11 115.31 114.03 1uf3 h LEU 89 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1uf3 h LEU 89 Cb 0.55 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1uf3 h LEU 89 CO 0.00 -0.24 -0.30 1.33 0.09 0.00 0.00 178.44 179.31 1uf3 n VAL 90 N -5.28 0.00 -3.42 1.22 0.24 -1.21 -4.46 118.33 105.43 1uf3 n VAL 90 Ca -0.08 -0.35 -0.26 0.00 -2.04 0.00 0.00 64.34 61.61 1uf3 n VAL 90 Cb 0.20 1.33 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 1uf3 n VAL 90 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1uf3 n HIS 91 N 0.41 2.05 0.31 6.34 8.25 -0.83 -4.96 115.22 126.79 1uf3 n HIS 91 Ca 0.10 -3.94 0.07 0.00 -0.26 0.00 0.00 57.72 53.69 1uf3 n HIS 91 Cb 0.49 -0.44 0.30 0.00 1.12 0.00 0.00 29.99 31.46 1uf3 n HIS 91 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1uf3 n PRO 92 N 1.33 0.05 -0.71 -0.41 -0.04 -1.18 -4.37 135.00 129.68 1uf3 n PRO 92 Ca 0.26 0.39 -0.10 0.00 -0.04 0.00 0.00 63.50 64.01 1uf3 n PRO 92 Cb 0.44 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 1uf3 n PRO 92 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1uf3 n GLU 93 N -1.73 1.51 0.00 0.54 0.00 -1.26 -5.02 120.64 114.68 1uf3 n GLU 93 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 57.16 56.37 1uf3 n GLU 93 Cb 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 29.64 1uf3 n GLU 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1uf3 n ARG 95 N 2.82 0.00 -2.68 3.44 3.00 0.17 -1.45 116.66 121.95 1uf3 n ARG 95 Ca 0.32 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.75 1uf3 n ARG 95 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.01 1uf3 n ARG 95 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1uf3 s ASN 96 N 0.00 7.02 -0.01 6.15 2.47 -1.26 -1.80 114.94 127.50 1uf3 s ASN 96 Ca 0.00 1.25 0.19 0.00 0.42 0.00 0.00 52.86 54.72 1uf3 s ASN 96 Cb 0.00 -2.53 0.57 0.00 -1.45 0.00 0.00 41.25 37.85 1uf3 s ASN 96 CO 0.00 -0.71 1.48 1.33 -3.72 0.00 0.00 177.10 175.49 1uf3 n VAL 97 N 5.45 1.10 -1.65 -5.21 0.24 -0.19 -4.84 118.33 113.23 1uf3 n VAL 97 Ca 0.11 -1.03 -0.45 0.00 -2.04 0.00 0.00 64.34 60.93 1uf3 n VAL 97 Cb 0.46 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.25 1uf3 n VAL 97 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1uf3 n HIS 98 N 1.31 2.34 -0.81 6.34 -0.00 -1.25 -1.23 115.22 121.91 1uf3 n HIS 98 Ca 0.22 -0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1uf3 n HIS 98 Cb 0.61 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 1uf3 n HIS 98 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1uf3 n GLU 99 N 7.35 -0.27 0.00 1.57 1.02 0.10 -4.91 120.64 125.50 1uf3 n GLU 99 Ca 0.23 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1uf3 n GLU 99 Cb 0.36 -3.66 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 1uf3 n GLU 99 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1uf3 n THR 100 N -2.13 0.00 -3.74 2.62 5.66 -0.37 -4.95 114.28 111.37 1uf3 n THR 100 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1uf3 n THR 100 Cb 0.07 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.84 1uf3 n THR 100 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1uf3 s PHE 101 N 1.45 -0.13 0.22 1.09 -0.12 -1.26 -3.72 117.98 115.51 1uf3 s PHE 101 Ca 0.00 -0.16 -0.18 0.00 -0.05 0.00 0.00 56.93 56.54 1uf3 s PHE 101 Cb 0.00 0.63 0.03 0.00 -0.63 0.00 0.00 43.02 43.05 1uf3 s PHE 101 CO 0.00 -0.78 0.56 -0.08 -0.05 0.00 0.00 175.22 174.87 1uf3 s THR 102 N -3.22 0.02 -0.07 -4.49 -1.32 -0.23 -5.00 115.64 101.33 1uf3 s THR 102 Ca 0.12 -0.83 0.02 0.00 -1.21 0.00 0.00 61.69 59.79 1uf3 s THR 102 Cb -0.01 -1.69 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 1uf3 s THR 102 CO 0.02 -0.07 -0.11 -0.36 -2.21 0.00 0.00 174.62 171.88 1uf3 s PHE 103 N -3.89 2.80 0.15 9.09 0.40 -1.26 -0.61 117.98 124.66 1uf3 s PHE 103 Ca 0.10 -0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.37 1uf3 s PHE 103 Cb -0.02 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 1uf3 s PHE 103 CO -0.00 0.20 -0.05 -1.58 0.70 0.00 0.00 175.22 174.49 1uf3 s TRP 104 N -0.63 2.79 0.16 0.36 0.51 -0.05 -4.96 118.94 117.13 1uf3 s TRP 104 Ca 0.09 -0.14 -0.32 0.00 -2.12 0.00 0.00 56.10 53.61 1uf3 s TRP 104 Cb -0.11 -1.40 -0.12 0.00 -0.81 0.00 0.00 33.47 31.03 1uf3 s TRP 104 CO 0.01 0.49 1.74 0.54 -0.51 0.00 0.00 176.95 179.22 1uf3 n ARG 105 N 0.22 2.65 0.00 4.98 1.74 -1.26 -1.60 116.66 123.38 1uf3 n ARG 105 Ca -0.11 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1uf3 n ARG 105 Cb 0.54 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1uf3 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uf3 n GLY 106 N 3.97 -1.22 3.90 -0.13 0.00 -1.26 -0.69 105.19 109.76 1uf3 n GLY 106 Ca 0.17 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.39 1uf3 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uf3 s PRO 107 N 0.00 3.65 -0.06 1.61 0.04 -1.26 -5.02 135.00 133.96 1uf3 s PRO 107 Ca 0.00 0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.21 1uf3 s PRO 107 Cb 0.00 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1uf3 s PRO 107 CO 0.00 0.06 -0.10 0.71 0.04 0.00 0.00 177.00 177.70 1uf3 s TYR 108 N -2.31 1.24 -0.46 0.56 1.51 -0.63 -4.32 117.35 112.94 1uf3 s TYR 108 Ca 0.46 -0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 55.89 1uf3 s TYR 108 Cb -0.10 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.84 1uf3 s TYR 108 CO 0.34 -0.23 0.69 -1.17 -1.11 0.00 0.00 175.55 174.07 1uf3 s LEU 109 N 0.65 4.46 -0.23 -1.29 2.96 -0.35 -0.87 118.68 124.01 1uf3 s LEU 109 Ca -0.13 -0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 1uf3 s LEU 109 Cb -0.15 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 1uf3 s LEU 109 CO 0.03 -0.85 0.15 -0.69 -1.32 0.00 0.00 176.35 173.66 1uf3 s VAL 110 N 2.99 5.35 0.15 1.68 1.01 0.22 -1.20 120.40 130.60 1uf3 s VAL 110 Ca 0.24 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1uf3 s VAL 110 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1uf3 s VAL 110 CO 0.19 0.38 0.23 0.00 0.00 0.00 0.00 175.10 175.90 1uf3 s ALA 111 N 0.85 0.11 0.23 5.51 0.00 -0.64 -1.06 121.76 126.76 1uf3 s ALA 111 Ca 0.08 -0.95 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 1uf3 s ALA 111 Cb -0.13 0.81 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1uf3 s ALA 111 CO 0.03 -0.60 0.81 0.20 0.00 0.00 0.00 175.76 176.20 1uf3 s GLY 112 N -2.97 -0.14 -0.27 0.00 0.00 -0.98 -1.18 107.32 101.78 1uf3 s GLY 112 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 1uf3 s GLY 112 CO -0.01 -0.05 0.24 0.14 0.00 0.00 0.00 173.10 173.42 1uf3 s VAL 113 N -3.66 -0.30 0.00 1.40 1.01 -0.95 -0.73 120.40 117.17 1uf3 s VAL 113 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1uf3 s VAL 113 Cb -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1uf3 s VAL 113 CO 0.05 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1uf3 n GLY 114 N 5.30 -0.46 7.00 4.51 0.00 -1.26 -4.03 105.19 116.24 1uf3 n GLY 114 Ca -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1uf3 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf3 n GLY 115 N 5.00 -1.14 3.65 -0.02 0.00 0.91 -4.67 105.19 108.91 1uf3 n GLY 115 Ca 0.00 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1uf3 n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uf3 s GLU 116 N 0.00 4.20 -0.46 1.61 2.12 0.07 -4.14 118.70 122.09 1uf3 s GLU 116 Ca 0.00 0.77 -0.15 0.00 0.36 0.00 0.00 54.97 55.94 1uf3 s GLU 116 Cb 0.00 -3.61 0.06 0.00 0.26 0.00 0.00 34.13 30.84 1uf3 s GLU 116 CO 0.00 -0.37 0.39 0.42 -0.54 0.00 0.00 175.26 175.16 1uf3 s ILE 117 N 2.34 5.23 0.12 -3.70 1.01 -1.26 0.58 121.20 125.52 1uf3 s ILE 117 Ca 0.32 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1uf3 s ILE 117 Cb -0.16 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1uf3 s ILE 117 CO 0.09 -0.54 0.21 0.00 0.00 0.00 0.00 174.94 174.70 1uf3 s ALA 118 N 1.67 3.85 0.20 9.38 0.00 -0.30 -4.89 121.76 131.67 1uf3 s ALA 118 Ca 0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1uf3 s ALA 118 Cb -0.23 -1.67 0.22 0.00 0.00 0.00 0.00 23.12 21.44 1uf3 s ALA 118 CO 0.07 0.64 1.66 -0.44 0.00 0.00 0.00 175.76 177.69 1uf3 h ASP 119 N 2.59 -0.33 0.00 0.00 3.45 -1.94 0.39 116.42 120.57 1uf3 h ASP 119 Ca -0.47 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.13 1uf3 h ASP 119 Cb 1.18 0.27 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 1uf3 h ASP 119 CO 0.69 -0.12 0.00 -1.84 -1.57 0.00 0.00 179.24 176.40 1uf3 n GLU 120 N -5.30 0.00 0.00 3.56 0.28 -1.26 -3.39 120.64 114.53 1uf3 n GLU 120 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1uf3 n GLU 120 Cb 0.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.17 1uf3 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uf3 n GLY 121 N 0.00 -2.97 3.91 -1.84 0.00 -1.26 -4.59 105.19 98.43 1uf3 n GLY 121 Ca 0.00 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1uf3 n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf3 s GLU 122 N -0.48 3.58 0.39 1.61 0.41 -1.26 -4.65 118.70 118.30 1uf3 s GLU 122 Ca 0.00 -0.18 -0.26 0.00 -0.41 0.00 0.00 54.97 54.12 1uf3 s GLU 122 Cb 0.00 -2.87 -0.09 0.00 -1.78 0.00 0.00 34.13 29.40 1uf3 s GLU 122 CO 0.00 0.47 1.21 -2.14 -0.49 0.00 0.00 175.26 174.31 1uf3 s PRO 123 N -2.78 4.10 -0.02 0.39 0.02 -1.26 -4.71 135.00 130.74 1uf3 s PRO 123 Ca 0.40 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1uf3 s PRO 123 Cb -0.12 -2.77 0.02 0.00 0.02 0.00 0.00 34.50 31.65 1uf3 s PRO 123 CO 0.26 -0.31 0.01 -2.00 -0.33 0.00 0.00 177.00 174.62 1uf3 s GLU 124 N -2.18 0.13 0.00 5.54 2.56 0.12 -4.98 118.70 119.89 1uf3 s GLU 124 Ca 0.55 0.07 0.00 0.00 0.00 0.00 0.00 54.97 55.60 1uf3 s GLU 124 Cb -0.33 -0.29 0.00 0.00 2.00 0.00 0.00 34.13 35.51 1uf3 s GLU 124 CO 0.43 -0.09 0.25 0.39 -0.56 0.00 0.00 175.26 175.67 1uf3 n GLU 125 N 3.81 0.04 -0.10 4.30 1.02 -0.91 0.49 120.64 129.29 1uf3 n GLU 125 Ca -0.23 -0.26 -0.21 0.00 -0.02 0.00 0.00 57.16 56.44 1uf3 n GLU 125 Cb 0.53 -0.53 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1uf3 n GLU 125 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1uf3 n HIS 126 N -0.01 0.00 0.57 -0.32 8.25 -1.26 -0.48 115.22 121.98 1uf3 n HIS 126 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1uf3 n HIS 126 Cb 0.35 -0.72 0.16 0.00 1.12 0.00 0.00 29.99 30.90 1uf3 n HIS 126 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1uf3 n GLU 127 N -3.84 0.29 -3.75 -0.41 -0.58 -1.26 -3.25 120.64 107.85 1uf3 n GLU 127 Ca -0.39 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 1uf3 n GLU 127 Cb 0.79 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1uf3 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uf3 s ALA 128 N -3.17 -2.09 -0.35 0.62 0.00 -1.26 -4.90 121.76 110.62 1uf3 s ALA 128 Ca 0.06 0.33 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 1uf3 s ALA 128 Cb 0.13 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1uf3 s ALA 128 CO 0.73 -1.07 0.12 -0.51 0.00 0.00 0.00 175.76 175.02 1uf3 s LEU 129 N -3.18 4.43 -0.03 0.00 1.43 0.10 -2.14 118.68 119.28 1uf3 s LEU 129 Ca 0.18 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1uf3 s LEU 129 Cb 0.02 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1uf3 s LEU 129 CO -0.01 -0.36 0.00 -0.60 0.23 0.00 0.00 176.35 175.61 1uf3 s ARG 130 N 1.36 0.30 -0.08 1.70 3.52 0.18 -0.75 118.95 125.18 1uf3 s ARG 130 Ca -0.01 0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1uf3 s ARG 130 Cb -0.20 -0.52 0.02 0.00 -1.56 0.00 0.00 34.95 32.68 1uf3 s ARG 130 CO 0.02 -0.16 -0.11 0.71 -0.81 0.00 0.00 175.30 174.94 1uf3 s TYR 131 N 1.16 1.50 0.74 5.12 1.51 0.20 -0.70 117.35 126.88 1uf3 s TYR 131 Ca -0.08 -0.62 -0.13 0.00 -1.01 0.00 0.00 57.07 55.23 1uf3 s TYR 131 Cb -0.13 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1uf3 s TYR 131 CO -0.02 -0.35 1.13 -1.25 -1.11 0.00 0.00 175.55 173.95 1uf3 s PRO 132 N 0.95 2.25 0.30 -1.71 0.04 -1.26 -1.15 135.00 134.43 1uf3 s PRO 132 Ca -0.09 1.44 0.06 0.00 0.04 0.00 0.00 61.00 62.45 1uf3 s PRO 132 Cb -0.15 -1.88 0.74 0.00 0.04 0.00 0.00 34.50 33.26 1uf3 s PRO 132 CO 0.00 -1.68 1.77 0.00 0.04 0.00 0.00 177.00 177.13 1uf3 h ALA 133 N -0.61 1.66 0.00 8.56 0.00 -0.22 -0.34 119.26 128.31 1uf3 h ALA 133 Ca -0.46 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1uf3 h ALA 133 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1uf3 h ALA 133 CO 0.51 -0.07 -0.01 0.11 0.00 0.00 0.00 179.25 179.78 1uf3 h TRP 134 N 0.74 0.00 0.04 0.00 5.08 -1.87 -0.40 115.95 119.54 1uf3 h TRP 134 Ca 0.58 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.48 1uf3 h TRP 134 Cb 0.92 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.09 1uf3 h TRP 134 CO -0.01 0.01 -0.31 0.28 -1.28 0.00 0.00 178.44 177.14 1uf3 h VAL 135 N 0.00 1.63 -0.56 0.12 2.07 -1.40 -2.49 116.25 115.63 1uf3 h VAL 135 Ca -0.00 -2.25 0.09 0.00 0.82 0.00 0.00 66.70 65.36 1uf3 h VAL 135 Cb 0.04 3.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.86 1uf3 h VAL 135 CO 0.00 0.61 0.15 0.00 0.02 0.00 0.00 177.57 178.35 1uf3 h ALA 136 N 0.11 0.67 -0.85 1.67 0.00 -1.16 -1.53 119.26 118.17 1uf3 h ALA 136 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1uf3 h ALA 136 Cb 1.17 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1uf3 h ALA 136 CO 0.06 -0.27 0.51 1.49 0.00 0.00 0.00 179.25 181.04 1uf3 h GLU 137 N 0.30 1.16 -0.24 0.00 4.81 -1.18 -2.59 114.58 116.84 1uf3 h GLU 137 Ca 0.28 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1uf3 h GLU 137 Cb 0.38 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1uf3 h GLU 137 CO -0.33 0.82 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.71 1uf3 h TYR 138 N 1.18 0.44 -0.20 0.92 3.20 -0.82 -2.41 116.97 119.27 1uf3 h TYR 138 Ca 0.31 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1uf3 h TYR 138 Cb -0.04 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1uf3 h TYR 138 CO -0.00 0.54 -0.02 0.00 -1.64 0.00 0.00 178.16 177.04 1uf3 h ARG 139 N 0.38 0.36 0.00 1.82 2.47 -0.95 -3.20 114.38 115.26 1uf3 h ARG 139 Ca 0.07 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 1uf3 h ARG 139 Cb 0.47 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1uf3 h ARG 139 CO 0.03 0.58 -0.18 -0.07 0.56 0.00 0.00 179.97 180.89 1uf3 h LEU 140 N 0.11 0.00 -2.34 3.04 3.38 -1.39 -3.21 115.31 114.89 1uf3 h LEU 140 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1uf3 h LEU 140 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1uf3 h LEU 140 CO 0.01 0.18 0.00 0.07 0.09 0.00 0.00 178.44 178.80 1uf3 h LYS 141 N 0.00 0.00 0.00 1.13 2.10 -1.42 -0.98 116.57 117.40 1uf3 h LYS 141 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1uf3 h LYS 141 Cb 0.71 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1uf3 h LYS 141 CO 0.02 0.00 -0.17 0.00 -2.00 0.00 0.00 179.45 177.30 1uf3 h ALA 142 N 2.00 1.51 0.00 0.07 0.00 -1.72 -2.66 119.26 118.46 1uf3 h ALA 142 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uf3 h ALA 142 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1uf3 h ALA 142 CO 0.00 0.22 -0.06 -0.07 0.00 0.00 0.00 179.25 179.34 1uf3 h LEU 143 N 0.00 0.00 -1.31 0.00 3.38 -1.40 -2.58 115.31 113.39 1uf3 h LEU 143 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uf3 h LEU 143 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uf3 h LEU 143 CO 0.02 0.06 0.00 0.79 0.09 0.00 0.00 178.44 179.40 1uf3 n TRP 144 N -4.23 0.73 0.21 1.13 5.03 -1.00 -1.13 117.44 118.18 1uf3 n TRP 144 Ca -0.03 0.37 0.10 0.00 3.03 0.00 0.00 57.50 60.97 1uf3 n TRP 144 Cb 0.14 -1.09 0.22 0.00 -1.03 0.00 0.00 31.31 29.55 1uf3 n TRP 144 CO 0.00 0.00 0.00 0.93 -0.03 0.00 0.00 177.69 178.59 1uf3 h GLU 145 N 0.00 0.00 -5.16 -0.99 4.39 -1.67 -3.43 114.58 107.72 1uf3 h GLU 145 Ca 0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 1uf3 h GLU 145 Cb 0.05 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.56 1uf3 h GLU 145 CO 0.00 0.12 -0.25 -0.51 -1.16 0.00 0.00 179.01 177.21 1uf3 s LEU 146 N -6.30 4.05 0.00 1.33 1.43 -0.29 -5.07 118.68 113.84 1uf3 s LEU 146 Ca 0.05 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1uf3 s LEU 146 Cb 0.06 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1uf3 s LEU 146 CO 0.67 -0.16 0.35 -0.54 0.23 0.00 0.00 176.35 176.90 1uf3 s LYS 147 N 1.95 3.76 -1.47 1.70 -0.14 -1.26 -4.58 119.74 119.71 1uf3 s LYS 147 Ca 0.15 0.21 -0.11 0.00 -1.36 0.00 0.00 55.97 54.86 1uf3 s LYS 147 Cb -0.16 -3.14 0.05 0.00 -1.68 0.00 0.00 37.83 32.91 1uf3 s LYS 147 CO 0.10 0.67 0.94 -0.25 -0.76 0.00 0.00 175.35 176.04 1uf3 n ASP 148 N 1.52 -5.37 -4.52 2.83 8.00 -1.26 -5.00 116.55 112.75 1uf3 n ASP 148 Ca -0.13 -0.60 -0.33 0.00 0.71 0.00 0.00 54.79 54.44 1uf3 n ASP 148 Cb 0.53 -4.28 -0.12 0.00 -0.02 0.00 0.00 41.12 37.22 1uf3 n ASP 148 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1uf3 s TYR 149 N -3.25 2.86 0.16 1.24 1.51 -1.26 -5.08 117.35 113.53 1uf3 s TYR 149 Ca 0.57 -0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 56.19 1uf3 s TYR 149 Cb -0.27 -1.72 -0.07 0.00 -0.11 0.00 0.00 41.96 39.78 1uf3 s TYR 149 CO 0.70 0.19 1.07 -1.25 -1.11 0.00 0.00 175.55 175.15 1uf3 s PRO 150 N -0.54 4.62 0.05 -1.71 0.04 -1.26 -4.85 135.00 131.35 1uf3 s PRO 150 Ca 0.08 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1uf3 s PRO 150 Cb -0.12 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1uf3 s PRO 150 CO 0.02 0.10 0.09 0.15 0.04 0.00 0.00 177.00 177.40 1uf3 s LYS 151 N -0.26 2.98 -0.19 4.56 1.02 -1.26 -1.22 119.74 125.37 1uf3 s LYS 151 Ca 0.49 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1uf3 s LYS 151 Cb -0.28 -2.79 0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1uf3 s LYS 151 CO 0.34 0.59 -0.09 0.42 -0.92 0.00 0.00 175.35 175.69 1uf3 s ILE 152 N -1.34 1.52 -0.12 2.17 1.01 -0.34 0.60 121.20 124.70 1uf3 s ILE 152 Ca 0.28 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 1uf3 s ILE 152 Cb -0.12 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1uf3 s ILE 152 CO 0.20 0.17 0.09 -0.36 0.00 0.00 0.00 174.94 175.04 1uf3 s PHE 153 N 1.45 3.44 -0.19 3.97 0.40 0.53 -1.62 117.98 125.97 1uf3 s PHE 153 Ca -0.01 0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.71 1uf3 s PHE 153 Cb -0.16 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.46 1uf3 s PHE 153 CO -0.08 0.61 -0.14 -0.51 0.70 0.00 0.00 175.22 175.80 1uf3 s LEU 154 N -0.85 2.47 0.07 -0.37 1.02 -0.33 -0.24 118.68 120.45 1uf3 s LEU 154 Ca 0.13 -0.52 0.03 0.00 0.02 0.00 0.00 54.13 53.80 1uf3 s LEU 154 Cb -0.12 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 1uf3 s LEU 154 CO 0.03 0.02 -0.09 -0.36 0.02 0.00 0.00 176.35 175.97 1uf3 s PHE 155 N 1.22 0.88 -0.18 0.29 2.99 -0.42 -2.25 117.98 120.51 1uf3 s PHE 155 Ca 0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 56.93 56.21 1uf3 s PHE 155 Cb -0.14 -0.50 -0.21 0.00 0.00 0.00 0.00 43.02 42.16 1uf3 s PHE 155 CO -0.06 -0.05 0.24 1.58 -0.00 0.00 0.00 175.22 176.92 1uf3 n HIS 156 N 1.02 1.05 -0.53 0.36 -0.00 -1.26 -3.23 115.22 112.63 1uf3 n HIS 156 Ca -0.20 0.35 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1uf3 n HIS 156 Cb 0.56 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 29.43 1uf3 n HIS 156 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1uf3 n THR 157 N -4.06 0.00 -4.19 3.57 -1.04 -1.26 -2.98 114.28 104.32 1uf3 n THR 157 Ca -0.33 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.49 1uf3 n THR 157 Cb 0.83 -1.22 -0.12 0.00 -1.82 0.00 0.00 70.33 68.00 1uf3 n THR 157 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uf3 s PRO 159 N -2.60 0.85 0.25 -2.82 0.04 -1.26 -4.92 135.00 124.53 1uf3 s PRO 159 Ca 0.00 -0.96 -0.31 0.00 0.04 0.00 0.00 61.00 59.77 1uf3 s PRO 159 Cb 0.00 -0.87 -0.12 0.00 0.04 0.00 0.00 34.50 33.55 1uf3 s PRO 159 CO 0.00 0.20 1.67 0.98 0.04 0.00 0.00 177.00 179.88 1uf3 n TYR 160 N 1.29 2.79 -3.15 0.56 9.36 0.16 -4.32 117.16 123.86 1uf3 n TYR 160 Ca -0.21 0.14 0.04 0.00 3.32 0.00 0.00 57.90 61.19 1uf3 n TYR 160 Cb 0.54 -2.64 -0.01 0.00 -0.63 0.00 0.00 39.34 36.60 1uf3 n TYR 160 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1uf3 s HIS 161 N 0.63 -1.32 0.48 2.98 2.46 0.27 -4.82 115.29 115.97 1uf3 s HIS 161 Ca 0.70 1.31 0.00 0.00 0.47 0.00 0.00 55.06 57.54 1uf3 s HIS 161 Cb -0.50 0.43 0.00 0.00 -0.13 0.00 0.00 32.58 32.37 1uf3 s HIS 161 CO 0.40 -0.73 0.75 1.17 -2.47 0.00 0.00 174.74 173.86 1uf3 n LYS 162 N 5.43 0.02 -0.04 2.88 4.81 -1.25 -0.27 118.16 129.74 1uf3 n LYS 162 Ca -0.02 0.69 -0.04 0.00 -0.87 0.00 0.00 58.31 58.08 1uf3 n LYS 162 Cb 0.52 -1.98 -0.01 0.00 0.02 0.00 0.00 35.03 33.58 1uf3 n LYS 162 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uf3 n GLY 163 N -1.25 -0.51 0.01 3.14 0.00 -1.26 -4.69 105.19 100.64 1uf3 n GLY 163 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1uf3 n GLY 163 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1uf3 n LEU 164 N -3.31 0.11 0.00 0.99 -0.00 -0.90 -4.87 117.00 109.01 1uf3 n LEU 164 Ca -0.06 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1uf3 n LEU 164 Cb 0.22 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 1uf3 n LEU 164 CO 0.09 -0.02 0.00 -3.20 -0.00 0.00 0.00 177.39 174.26 1uf3 n ASN 165 N -1.60 0.00 -0.51 1.45 5.15 0.63 -4.98 115.26 115.40 1uf3 n ASN 165 Ca 0.07 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.16 1uf3 n ASN 165 Cb 0.35 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.68 1uf3 n ASN 165 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1uf3 n GLU 166 N 0.00 1.29 0.00 1.20 1.02 -1.25 0.94 120.64 123.83 1uf3 n GLU 166 Ca 0.00 -1.02 0.12 0.00 -0.02 0.00 0.00 57.16 56.23 1uf3 n GLU 166 Cb 0.00 -1.48 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 1uf3 n GLU 166 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1uf3 n GLN 167 N 0.04 1.61 -0.57 3.49 1.13 -1.26 -4.87 117.38 116.95 1uf3 n GLN 167 Ca 0.10 -1.29 -0.28 0.00 -1.94 0.00 0.00 57.00 53.58 1uf3 n GLN 167 Cb 0.46 -1.47 0.25 0.00 0.11 0.00 0.00 30.24 29.59 1uf3 n GLN 167 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1uf3 s GLY 168 N -2.28 1.55 -0.05 1.08 0.00 -1.24 -4.92 107.32 101.45 1uf3 s GLY 168 Ca 0.24 -0.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 1uf3 s GLY 168 CO 0.46 0.61 0.93 -0.45 0.00 0.00 0.00 173.10 174.65 1uf3 s SER 169 N -2.55 7.24 0.26 1.64 0.15 -1.26 -3.80 113.70 115.39 1uf3 s SER 169 Ca 0.68 1.51 0.08 0.00 0.70 0.00 0.00 55.95 58.92 1uf3 s SER 169 Cb -0.25 -2.53 0.34 0.00 -1.71 0.00 0.00 66.02 61.87 1uf3 s SER 169 CO 0.64 -0.30 1.61 0.45 1.20 0.00 0.00 173.24 176.84 1uf3 h HIS 170 N 6.92 0.16 -0.13 3.44 3.86 -1.92 0.48 115.15 127.95 1uf3 h HIS 170 Ca -0.37 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 58.73 1uf3 h HIS 170 Cb 1.19 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1uf3 h HIS 170 CO 0.69 0.68 -0.10 0.93 0.86 0.00 0.00 177.93 180.98 1uf3 h GLU 171 N 0.09 0.31 -0.82 2.45 4.39 -1.98 -0.41 114.58 118.61 1uf3 h GLU 171 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1uf3 h GLU 171 Cb 1.05 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1uf3 h GLU 171 CO 0.08 0.67 0.53 0.28 -1.16 0.00 0.00 179.01 179.41 1uf3 h VAL 172 N -0.06 1.21 -0.74 3.13 2.07 -1.92 -0.28 116.25 119.66 1uf3 h VAL 172 Ca 0.03 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1uf3 h VAL 172 Cb 0.60 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1uf3 h VAL 172 CO 0.03 0.21 0.40 0.00 0.02 0.00 0.00 177.57 178.22 1uf3 h ALA 173 N 1.47 1.30 -0.74 1.67 0.00 -1.16 -1.77 119.26 120.03 1uf3 h ALA 173 Ca 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1uf3 h ALA 173 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1uf3 h ALA 173 CO -0.06 0.56 0.40 1.25 0.00 0.00 0.00 179.25 181.40 1uf3 h HIS 174 N 1.04 1.02 -0.68 0.00 6.17 0.62 0.17 115.15 123.49 1uf3 h HIS 174 Ca 0.26 -0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.27 1uf3 h HIS 174 Cb 0.04 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 29.62 1uf3 h HIS 174 CO 0.01 0.72 0.26 -0.07 0.71 0.00 0.00 177.93 179.56 1uf3 h LEU 175 N 1.02 0.95 -0.39 0.26 3.38 -0.46 0.30 115.31 120.36 1uf3 h LEU 175 Ca 0.26 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1uf3 h LEU 175 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1uf3 h LEU 175 CO -0.04 0.87 -0.05 0.40 0.09 0.00 0.00 178.44 179.71 1uf3 h ILE 176 N 0.97 1.27 -0.87 1.22 2.04 -1.03 -2.05 117.51 119.06 1uf3 h ILE 176 Ca 0.22 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1uf3 h ILE 176 Cb 0.23 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1uf3 h ILE 176 CO -0.02 0.37 0.45 0.11 0.00 0.00 0.00 178.15 179.07 1uf3 h LYS 177 N 0.54 1.24 -0.09 2.37 1.57 -0.30 0.28 116.57 122.17 1uf3 h LYS 177 Ca 0.10 -0.16 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 1uf3 h LYS 177 Cb 0.55 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1uf3 h LYS 177 CO 0.03 0.92 -0.89 1.79 -0.57 0.00 0.00 179.45 180.73 1uf3 h THR 178 N 1.23 1.28 0.00 -0.16 1.35 -0.82 -3.34 112.91 112.45 1uf3 h THR 178 Ca 0.30 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1uf3 h THR 178 Cb 0.07 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1uf3 h THR 178 CO -0.04 0.66 -0.82 1.41 -0.25 0.00 0.00 175.52 176.47 1uf3 n HIS 179 N -3.90 0.57 -4.06 4.73 8.25 -0.78 -4.99 115.22 115.04 1uf3 n HIS 179 Ca -0.09 0.17 -0.29 0.00 -0.26 0.00 0.00 57.72 57.25 1uf3 n HIS 179 Cb 0.81 -0.67 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 1uf3 n HIS 179 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uf3 n ASN 180 N -2.20 -0.36 -4.71 0.41 3.02 0.97 -4.88 115.26 107.50 1uf3 n ASN 180 Ca 0.02 -1.11 -0.34 0.00 -0.03 0.00 0.00 54.58 53.12 1uf3 n ASN 180 Cb 0.46 -2.53 0.11 0.00 -0.61 0.00 0.00 39.78 37.22 1uf3 n ASN 180 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1uf3 s PRO 181 N -6.84 1.87 0.12 3.52 0.04 -1.26 -4.76 135.00 127.70 1uf3 s PRO 181 Ca 0.05 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 1uf3 s PRO 181 Cb -0.02 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 1uf3 s PRO 181 CO 0.93 -2.04 1.37 1.25 0.04 0.00 0.00 177.00 178.54 1uf3 h LEU 182 N -0.61 0.90 -7.69 -3.56 5.85 -0.14 -3.36 115.31 106.70 1uf3 h LEU 182 Ca -0.47 -0.54 -0.24 0.00 0.84 0.00 0.00 57.88 57.47 1uf3 h LEU 182 Cb 1.30 -0.26 -0.29 0.00 0.37 0.00 0.00 40.66 41.78 1uf3 h LEU 182 CO 0.48 1.33 -0.72 -0.22 -0.34 0.00 0.00 178.44 178.97 1uf3 s LEU 183 N -8.47 1.84 -0.11 2.25 2.96 -1.03 -2.12 118.68 114.00 1uf3 s LEU 183 Ca -0.10 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1uf3 s LEU 183 Cb 0.10 -0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.80 1uf3 s LEU 183 CO 0.89 -0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 175.07 1uf3 s VAL 184 N 0.18 1.39 -0.15 1.68 1.01 0.03 -0.34 120.40 124.19 1uf3 s VAL 184 Ca -0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1uf3 s VAL 184 Cb -0.02 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1uf3 s VAL 184 CO -0.01 0.42 -0.00 -0.76 0.00 0.00 0.00 175.10 174.75 1uf3 s LEU 185 N 1.12 3.46 0.09 3.92 1.43 0.67 -0.49 118.68 128.89 1uf3 s LEU 185 Ca -0.04 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1uf3 s LEU 185 Cb -0.14 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1uf3 s LEU 185 CO -0.03 0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 175.92 1uf3 s VAL 186 N 0.21 1.15 0.54 -1.59 1.01 -0.44 -1.30 120.40 119.97 1uf3 s VAL 186 Ca 0.00 -1.49 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 1uf3 s VAL 186 Cb -0.13 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 1uf3 s VAL 186 CO 0.02 -0.34 1.13 0.00 0.00 0.00 0.00 175.10 175.90 1uf3 s ALA 187 N -1.75 2.70 0.00 5.51 0.00 -1.16 -4.11 121.76 122.96 1uf3 s ALA 187 Ca 0.03 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1uf3 s ALA 187 Cb -0.07 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1uf3 s ALA 187 CO 0.02 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1uf3 n GLY 188 N 0.16 3.48 3.84 0.00 0.00 -1.26 -4.93 105.19 106.48 1uf3 n GLY 188 Ca 0.12 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1uf3 n GLY 188 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uf3 s LYS 189 N -2.00 4.02 0.00 1.61 2.20 -1.26 -3.25 119.74 121.06 1uf3 s LYS 189 Ca 0.00 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1uf3 s LYS 189 Cb 0.00 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1uf3 s LYS 189 CO 0.00 0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 1uf3 n GLY 190 N 0.68 -2.35 3.66 5.54 0.00 -1.26 -4.91 105.19 106.56 1uf3 n GLY 190 Ca -0.04 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1uf3 n GLY 190 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uf3 s GLN 191 N -1.74 4.17 0.17 1.61 1.11 -1.26 -4.52 119.66 119.21 1uf3 s GLN 191 Ca 0.00 2.34 -0.15 0.00 0.01 0.00 0.00 55.36 57.56 1uf3 s GLN 191 Cb 0.00 -3.99 0.02 0.00 -1.01 0.00 0.00 33.01 28.03 1uf3 s GLN 191 CO 0.00 -0.87 0.45 -1.59 0.01 0.00 0.00 175.29 173.29 1uf3 s LYS 192 N 3.99 1.27 -0.00 2.91 -2.85 0.10 -4.99 119.74 120.16 1uf3 s LYS 192 Ca 0.78 -0.89 -0.26 0.00 -1.00 0.00 0.00 55.97 54.60 1uf3 s LYS 192 Cb -0.37 0.48 0.06 0.00 -2.06 0.00 0.00 37.83 35.94 1uf3 s LYS 192 CO 0.34 -0.52 0.58 -3.38 0.10 0.00 0.00 175.35 172.47 1uf3 s HIS 193 N -3.88 -0.52 0.00 1.78 -3.43 -1.26 0.27 115.29 108.26 1uf3 s HIS 193 Ca 0.09 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 1uf3 s HIS 193 Cb 0.00 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1uf3 s HIS 193 CO -0.04 -0.60 0.00 0.39 -2.00 0.00 0.00 174.74 172.48 1uf3 n GLU 194 N 0.73 0.00 -3.15 -0.38 -0.58 -0.55 -5.01 120.64 111.70 1uf3 n GLU 194 Ca -0.19 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.61 1uf3 n GLU 194 Cb 0.58 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.44 1uf3 n GLU 194 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1uf3 s LEU 196 N 0.00 -0.11 0.00 -4.62 0.20 0.14 -0.61 118.68 113.68 1uf3 s LEU 196 Ca 0.00 0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.87 1uf3 s LEU 196 Cb 0.00 1.09 0.00 0.00 -0.43 0.00 0.00 46.19 46.85 1uf3 s LEU 196 CO 0.00 -0.02 0.00 0.61 -0.29 0.00 0.00 176.35 176.65 1uf3 n GLY 197 N 5.38 3.53 0.83 7.98 0.00 -1.26 -0.32 105.19 121.32 1uf3 n GLY 197 Ca -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1uf3 n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf3 n ALA 198 N 11.77 2.43 -2.77 4.61 0.00 -1.26 -4.91 120.51 130.38 1uf3 n ALA 198 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 53.44 52.30 1uf3 n ALA 198 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 1uf3 n ALA 198 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1uf3 s SER 199 N -1.00 5.75 -0.48 0.00 0.01 0.56 -4.77 113.70 113.77 1uf3 s SER 199 Ca 0.30 0.28 -0.20 0.00 1.31 0.00 0.00 55.95 57.65 1uf3 s SER 199 Cb 0.16 -1.75 0.05 0.00 0.21 0.00 0.00 66.02 64.68 1uf3 s SER 199 CO 0.20 0.38 0.63 0.86 0.41 0.00 0.00 173.24 175.73 1uf3 s TRP 200 N -0.90 3.05 -0.30 2.43 -0.00 -0.90 0.27 118.94 122.59 1uf3 s TRP 200 Ca 0.14 -0.37 -0.13 0.00 -0.00 0.00 0.00 56.10 55.74 1uf3 s TRP 200 Cb -0.12 -3.47 -0.03 0.00 -0.00 0.00 0.00 33.47 29.85 1uf3 s TRP 200 CO 0.03 -0.98 0.27 0.08 -0.00 0.00 0.00 176.95 176.35 1uf3 s VAL 201 N 2.72 5.25 -0.07 5.86 1.01 0.22 -0.79 120.40 134.59 1uf3 s VAL 201 Ca 0.18 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1uf3 s VAL 201 Cb -0.17 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1uf3 s VAL 201 CO 0.14 0.12 -0.21 -0.69 0.00 0.00 0.00 175.10 174.47 1uf3 s VAL 202 N 1.88 2.42 -0.37 2.92 1.01 0.36 -1.48 120.40 127.14 1uf3 s VAL 202 Ca 0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1uf3 s VAL 202 Cb -0.16 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1uf3 s VAL 202 CO 0.11 0.57 0.18 -0.69 0.00 0.00 0.00 175.10 175.27 1uf3 s VAL 203 N -0.20 4.16 -0.63 2.92 1.01 0.14 -1.32 120.40 126.47 1uf3 s VAL 203 Ca -0.02 -1.13 0.26 0.00 0.00 0.00 0.00 61.98 61.09 1uf3 s VAL 203 Cb -0.13 -3.40 0.28 0.00 0.00 0.00 0.00 36.38 33.13 1uf3 s VAL 203 CO 0.03 -0.29 1.76 1.55 0.00 0.00 0.00 175.10 178.15 1uf3 h PRO 204 N 8.34 0.00 0.00 2.72 0.13 -1.80 0.30 132.00 141.69 1uf3 h PRO 204 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1uf3 h PRO 204 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1uf3 h PRO 204 CO 0.67 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.85 1uf3 n GLY 205 N 0.92 2.10 3.28 1.56 0.00 -1.24 -2.71 105.19 109.10 1uf3 n GLY 205 Ca 0.04 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 1uf3 n GLY 205 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uf3 s ASP 206 N 0.00 4.53 0.41 1.61 -1.08 -1.20 -1.72 116.67 119.22 1uf3 s ASP 206 Ca 0.00 -0.64 0.16 0.00 -0.52 0.00 0.00 52.55 51.55 1uf3 s ASP 206 Cb 0.00 -1.75 0.90 0.00 -1.46 0.00 0.00 42.92 40.61 1uf3 s ASP 206 CO 0.00 -0.10 1.89 0.25 0.52 0.00 0.00 175.17 177.73 1uf3 h LEU 207 N 8.11 0.00 0.00 -1.34 5.85 0.37 0.07 115.31 128.37 1uf3 h LEU 207 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1uf3 h LEU 207 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1uf3 h LEU 207 CO 0.59 0.29 0.00 -1.54 -0.34 0.00 0.00 178.44 177.45 1uf3 n SER 208 N -3.98 0.00 -0.42 1.25 3.41 -1.03 -0.69 113.62 112.15 1uf3 n SER 208 Ca -0.02 0.22 0.05 0.00 -0.26 0.00 0.00 58.87 58.87 1uf3 n SER 208 Cb 0.36 -0.36 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1uf3 n SER 208 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uf3 n GLU 209 N -1.36 2.67 -0.72 4.33 -0.58 -0.24 -4.97 120.64 119.77 1uf3 n GLU 209 Ca 0.06 -2.15 0.00 0.00 -0.42 0.00 0.00 57.16 54.66 1uf3 n GLU 209 Cb 0.15 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1uf3 n GLU 209 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uf3 n GLY 210 N -0.30 1.25 3.75 0.62 0.00 0.13 -4.93 105.19 105.71 1uf3 n GLY 210 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1uf3 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf3 s GLU 211 N -0.11 4.80 0.17 1.61 2.02 -0.15 -0.51 118.70 126.52 1uf3 s GLU 211 Ca 0.00 1.44 -0.17 0.00 0.02 0.00 0.00 54.97 56.26 1uf3 s GLU 211 Cb 0.00 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.97 1uf3 s GLU 211 CO 0.00 0.49 0.47 1.52 0.02 0.00 0.00 175.26 177.76 1uf3 s TYR 212 N -1.04 -0.13 0.07 1.61 -0.85 -0.49 -3.35 117.35 113.17 1uf3 s TYR 212 Ca 0.41 -0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.80 1uf3 s TYR 212 Cb -0.25 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.38 1uf3 s TYR 212 CO 0.31 -0.83 -0.09 -1.12 -1.52 0.00 0.00 175.55 172.30 1uf3 s SER 213 N -2.85 1.21 -0.30 -0.18 0.01 -0.43 -1.32 113.70 109.84 1uf3 s SER 213 Ca 0.07 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1uf3 s SER 213 Cb 0.00 0.02 0.07 0.00 0.21 0.00 0.00 66.02 66.32 1uf3 s SER 213 CO -0.06 -0.24 -0.02 -0.22 0.41 0.00 0.00 173.24 173.11 1uf3 s LEU 214 N -2.08 3.98 0.18 2.44 2.96 -0.51 -0.45 118.68 125.21 1uf3 s LEU 214 Ca -0.01 -1.54 -0.21 0.00 -0.22 0.00 0.00 54.13 52.15 1uf3 s LEU 214 Cb -0.06 -1.64 -0.08 0.00 0.50 0.00 0.00 46.19 44.91 1uf3 s LEU 214 CO -0.00 -0.28 0.71 -0.76 -1.32 0.00 0.00 176.35 174.70 1uf3 s LEU 215 N 1.12 4.44 -0.50 -0.68 1.02 0.24 -2.02 118.68 122.30 1uf3 s LEU 215 Ca -0.03 1.45 -0.06 0.00 0.02 0.00 0.00 54.13 55.51 1uf3 s LEU 215 Cb -0.20 -3.40 0.13 0.00 0.02 0.00 0.00 46.19 42.74 1uf3 s LEU 215 CO -0.04 0.12 0.34 -0.62 0.02 0.00 0.00 176.35 176.17 1uf3 s ASP 216 N -1.44 5.52 0.18 2.29 -1.08 0.03 -1.34 116.67 120.83 1uf3 s ASP 216 Ca 0.39 -2.20 -0.15 0.00 -0.52 0.00 0.00 52.55 50.07 1uf3 s ASP 216 Cb -0.19 -1.93 0.16 0.00 -1.46 0.00 0.00 42.92 39.51 1uf3 s ASP 216 CO 0.22 -0.57 1.67 0.25 0.52 0.00 0.00 175.17 177.26 1uf3 h LEU 217 N 7.98 -0.31 -0.55 -1.34 5.85 -1.10 0.16 115.31 125.99 1uf3 h LEU 217 Ca -0.12 0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1uf3 h LEU 217 Cb 1.04 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1uf3 h LEU 217 CO 0.77 -0.11 -0.51 0.03 -0.34 0.00 0.00 178.44 178.28 1uf3 h ARG 218 N 0.06 0.57 0.00 1.25 3.08 -1.94 -3.09 114.38 114.30 1uf3 h ARG 218 Ca 0.24 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1uf3 h ARG 218 Cb 0.36 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1uf3 h ARG 218 CO -0.44 0.94 -0.28 0.00 -1.07 0.00 0.00 179.97 179.12 1uf3 n ALA 219 N -2.52 2.97 -3.59 0.04 0.00 -1.07 -4.93 120.51 111.41 1uf3 n ALA 219 Ca -0.03 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 1uf3 n ALA 219 Cb 0.58 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.78 1uf3 n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uf3 n ARG 220 N -1.55 -5.51 -4.28 0.00 1.74 0.02 -4.98 116.66 102.10 1uf3 n ARG 220 Ca 0.06 0.68 -0.16 0.00 -0.77 0.00 0.00 57.85 57.66 1uf3 n ARG 220 Cb 0.34 -5.57 -0.10 0.00 -1.02 0.00 0.00 32.46 26.11 1uf3 n ARG 220 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1uf3 s LYS 221 N -6.29 1.14 0.03 5.56 1.02 -1.16 -5.00 119.74 115.04 1uf3 s LYS 221 Ca 0.54 -1.48 -0.06 0.00 0.02 0.00 0.00 55.97 55.00 1uf3 s LYS 221 Cb -0.26 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 36.23 1uf3 s LYS 221 CO 0.67 0.12 0.10 -0.48 -0.92 0.00 0.00 175.35 174.83 1uf3 s LEU 222 N -3.16 1.78 0.03 3.17 0.05 -1.26 -0.79 118.68 118.51 1uf3 s LEU 222 Ca 0.18 -0.48 0.02 0.00 0.05 0.00 0.00 54.13 53.90 1uf3 s LEU 222 Cb 0.01 0.59 -0.04 0.00 -2.05 0.00 0.00 46.19 44.70 1uf3 s LEU 222 CO 0.03 -0.48 0.03 -1.61 -0.55 0.00 0.00 176.35 173.77 1uf3 s GLU 223 N -2.37 2.82 0.28 1.48 2.02 -0.86 -4.96 118.70 117.12 1uf3 s GLU 223 Ca -0.07 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.35 1uf3 s GLU 223 Cb -0.03 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1uf3 s GLU 223 CO -0.03 0.60 0.25 0.95 0.02 0.00 0.00 175.26 177.05 1uf3 s THR 224 N -1.21 4.16 0.12 3.63 -4.23 -1.26 -1.42 115.64 115.42 1uf3 s THR 224 Ca 0.23 -1.36 -0.25 0.00 -1.18 0.00 0.00 61.69 59.14 1uf3 s THR 224 Cb -0.12 -3.35 0.07 0.00 1.34 0.00 0.00 72.50 70.44 1uf3 s THR 224 CO 0.15 -0.28 0.83 -0.83 -0.54 0.00 0.00 174.62 173.95 1uf3 s GLY 225 N -3.92 -0.36 -0.04 3.99 0.00 -0.43 -4.94 107.32 101.62 1uf3 s GLY 225 Ca 0.36 0.43 -0.06 0.00 0.00 0.00 0.00 44.72 45.45 1uf3 s GLY 225 CO 0.26 0.13 0.15 0.21 0.00 0.00 0.00 173.10 173.84 1uf3 s ASN 226 N -2.75 -0.10 0.18 1.64 3.84 -1.26 -1.40 114.94 115.09 1uf3 s ASN 226 Ca 0.08 0.16 0.23 0.00 0.21 0.00 0.00 52.86 53.54 1uf3 s ASN 226 Cb -0.02 0.28 0.21 0.00 -0.55 0.00 0.00 41.25 41.18 1uf3 s ASN 226 CO -0.04 -0.14 1.24 -0.37 -2.79 0.00 0.00 177.10 175.00 1uf3 h VAL 227 N 4.74 0.00 -0.02 -5.21 -1.51 -1.16 -3.49 116.25 109.60 1uf3 h VAL 227 Ca -0.27 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 1uf3 h VAL 227 Cb 1.20 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1uf3 h VAL 227 CO 0.41 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.64