#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9b s ASP 2 N 0.00 3.36 0.49 4.37 3.84 -1.26 -4.45 116.67 123.01 1i9b s ASP 2 Ca 0.00 0.74 0.20 0.00 -0.00 0.00 0.00 52.55 53.50 1i9b s ASP 2 Cb 0.00 -1.15 1.25 0.00 -1.38 0.00 0.00 42.92 41.63 1i9b s ASP 2 CO 0.00 -2.62 1.99 0.03 -0.00 0.00 0.00 175.17 174.56 1i9b h ARG 3 N -1.55 0.16 -0.22 2.11 3.08 -2.00 -1.71 114.38 114.25 1i9b h ARG 3 Ca -0.48 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 1i9b h ARG 3 Cb 1.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1i9b h ARG 3 CO 0.55 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.56 1i9b h ALA 4 N 1.73 0.30 -0.68 0.04 0.00 -1.99 -1.67 119.26 116.98 1i9b h ALA 4 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1i9b h ALA 4 Cb 0.82 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1i9b h ALA 4 CO -0.04 0.02 0.32 -0.44 0.00 0.00 0.00 179.25 179.11 1i9b h ASP 5 N 0.16 0.88 0.30 0.00 3.32 -1.67 0.36 116.42 119.77 1i9b h ASP 5 Ca 0.06 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1i9b h ASP 5 Cb 0.39 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1i9b h ASP 5 CO 0.01 0.75 -0.15 0.40 -1.72 0.00 0.00 179.24 178.54 1i9b h ILE 6 N 0.97 0.70 -0.67 0.35 2.04 -1.25 -2.22 117.51 117.44 1i9b h ILE 6 Ca 0.24 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1i9b h ILE 6 Cb 0.11 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1i9b h ILE 6 CO -0.03 0.11 0.43 -0.07 0.00 0.00 0.00 178.15 178.59 1i9b h LEU 7 N -0.74 0.73 -0.96 1.44 3.38 -1.23 -2.43 115.31 115.51 1i9b h LEU 7 Ca -0.04 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.01 1i9b h LEU 7 Cb 0.50 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1i9b h LEU 7 CO 0.07 0.52 0.60 0.22 0.09 0.00 0.00 178.44 179.93 1i9b h TYR 8 N 0.86 1.09 0.19 1.13 3.20 -0.91 -0.44 116.97 122.09 1i9b h TYR 8 Ca 0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1i9b h TYR 8 Cb -0.05 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.88 1i9b h TYR 8 CO -0.04 0.48 -0.09 -0.91 -1.64 0.00 0.00 178.16 175.96 1i9b h ASN 9 N 1.00 -0.21 -0.76 -2.11 4.21 -0.98 -1.18 115.58 115.55 1i9b h ASN 9 Ca 0.45 -0.27 0.11 0.00 1.21 0.00 0.00 56.30 57.80 1i9b h ASN 9 Cb 0.35 0.06 -0.08 0.00 -1.12 0.00 0.00 38.32 37.53 1i9b h ASN 9 CO -0.23 0.19 0.38 0.40 -1.29 0.00 0.00 177.43 176.87 1i9b h ILE 10 N -0.65 0.80 -0.35 2.81 2.04 -1.22 0.76 117.51 121.71 1i9b h ILE 10 Ca -0.03 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1i9b h ILE 10 Cb 0.47 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1i9b h ILE 10 CO 0.04 0.11 0.11 -0.09 0.00 0.00 0.00 178.15 178.33 1i9b h ARG 11 N 0.61 0.54 0.00 2.37 2.43 -1.06 0.15 114.38 119.42 1i9b h ARG 11 Ca 0.39 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1i9b h ARG 11 Cb 0.46 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1i9b h ARG 11 CO -0.30 0.56 -0.26 0.37 -1.51 0.00 0.00 179.97 178.83 1i9b h GLN 12 N 0.41 0.00 0.00 0.20 5.75 -0.36 -3.33 115.11 117.78 1i9b h GLN 12 Ca 0.11 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1i9b h GLN 12 Cb 0.24 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1i9b h GLN 12 CO -0.00 0.26 -1.46 0.25 -2.65 0.00 0.00 178.83 175.22 1i9b n THR 13 N -3.32 0.01 -1.45 2.39 -2.24 0.18 -5.04 114.28 104.80 1i9b n THR 13 Ca 0.01 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 1i9b n THR 13 Cb 0.50 0.26 0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1i9b n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i9b s SER 14 N -3.17 4.57 -0.32 3.42 0.15 0.53 -5.04 113.70 113.84 1i9b s SER 14 Ca -0.04 2.01 -0.02 0.00 0.70 0.00 0.00 55.95 58.61 1i9b s SER 14 Cb 0.06 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.95 1i9b s SER 14 CO 0.42 -1.99 0.18 -0.13 1.20 0.00 0.00 173.24 172.91 1i9b s ARG 15 N -4.38 0.38 0.66 5.44 0.52 -1.26 -4.99 118.95 115.32 1i9b s ARG 15 Ca 0.66 -0.95 0.36 0.00 -0.52 0.00 0.00 55.73 55.29 1i9b s ARG 15 Cb -0.21 -1.22 2.00 0.00 0.52 0.00 0.00 34.95 36.04 1i9b s ARG 15 CO 0.48 -1.12 2.15 -1.35 0.02 0.00 0.00 175.30 175.48 1i9b h PRO 16 N 7.65 0.00 -0.08 3.54 0.11 -1.81 -1.96 132.00 139.45 1i9b h PRO 16 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1i9b h PRO 16 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1i9b h PRO 16 CO 0.34 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.88 1i9b n ASP 17 N -3.09 1.62 -4.12 -2.05 8.00 -1.26 -4.28 116.55 111.38 1i9b n ASP 17 Ca -0.02 -1.60 -0.33 0.00 0.71 0.00 0.00 54.79 53.55 1i9b n ASP 17 Cb 0.24 -0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 1i9b n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i9b s VAL 18 N -1.91 2.21 0.15 2.53 1.01 -0.74 -5.09 120.40 118.56 1i9b s VAL 18 Ca 0.36 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 1i9b s VAL 18 Cb 0.20 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 1i9b s VAL 18 CO 0.30 0.36 1.60 -0.51 0.00 0.00 0.00 175.10 176.85 1i9b s ILE 19 N 1.25 2.66 -0.00 2.22 2.07 -1.26 -4.83 121.20 123.30 1i9b s ILE 19 Ca 0.01 0.42 -0.02 0.00 -1.41 0.00 0.00 60.65 59.65 1i9b s ILE 19 Cb -0.15 -3.27 -0.10 0.00 0.13 0.00 0.00 42.46 39.07 1i9b s ILE 19 CO -0.10 0.03 1.67 -2.65 -1.91 0.00 0.00 174.94 171.98 1i9b n PRO 20 N 4.30 0.75 -2.72 3.50 -0.02 -1.26 -4.90 135.00 134.65 1i9b n PRO 20 Ca 0.14 -0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 60.84 1i9b n PRO 20 Cb 0.39 -1.69 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 1i9b n PRO 20 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i9b s THR 21 N 2.26 4.34 -0.37 3.45 -1.32 -1.26 -4.87 115.64 117.87 1i9b s THR 21 Ca 0.25 2.04 -0.05 0.00 -1.21 0.00 0.00 61.69 62.72 1i9b s THR 21 Cb 0.12 -4.30 0.08 0.00 -1.51 0.00 0.00 72.50 66.89 1i9b s THR 21 CO -0.00 0.36 0.16 -1.10 -2.21 0.00 0.00 174.62 171.82 1i9b s GLN 22 N -0.32 2.36 3.28 7.08 -0.21 -1.24 -5.03 119.66 125.58 1i9b s GLN 22 Ca 0.46 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1i9b s GLN 22 Cb -0.24 -3.52 0.00 0.00 1.00 0.00 0.00 33.01 30.24 1i9b s GLN 22 CO 0.31 -0.87 0.00 0.54 -2.12 0.00 0.00 175.29 173.15 1i9b n ARG 23 N 4.72 0.00 0.00 2.91 3.00 -1.26 -1.93 116.66 124.10 1i9b n ARG 23 Ca -0.08 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 57.84 1i9b n ARG 23 Cb 0.43 0.00 0.50 0.00 0.00 0.00 0.00 32.46 33.39 1i9b n ARG 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1i9b n ASP 24 N -2.49 0.00 -4.71 0.55 8.00 -1.26 -4.75 116.55 111.89 1i9b n ASP 24 Ca 0.00 -0.46 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 1i9b n ASP 24 Cb 0.00 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1i9b n ASP 24 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1i9b s ARG 25 N -2.09 4.31 0.95 -1.24 0.52 -0.82 -4.79 118.95 115.79 1i9b s ARG 25 Ca 0.25 2.05 -0.12 0.00 -0.52 0.00 0.00 55.73 57.39 1i9b s ARG 25 Cb 0.12 -3.35 0.16 0.00 0.52 0.00 0.00 34.95 32.40 1i9b s ARG 25 CO 0.21 -0.48 1.10 -2.14 0.02 0.00 0.00 175.30 174.01 1i9b s PRO 26 N 1.49 0.84 -0.17 3.54 0.02 -1.21 -3.70 135.00 135.80 1i9b s PRO 26 Ca 0.65 0.52 -0.17 0.00 0.02 0.00 0.00 61.00 62.02 1i9b s PRO 26 Cb -0.35 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1i9b s PRO 26 CO 0.29 -2.45 0.43 0.08 -0.33 0.00 0.00 177.00 175.03 1i9b s VAL 27 N -3.05 5.19 -0.54 3.83 1.01 0.29 -4.79 120.40 122.35 1i9b s VAL 27 Ca 0.64 0.81 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 1i9b s VAL 27 Cb -0.17 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1i9b s VAL 27 CO 0.56 0.27 0.92 0.00 0.00 0.00 0.00 175.10 176.85 1i9b s ALA 28 N 1.11 3.18 -0.17 5.51 0.00 -1.26 -1.75 121.76 128.38 1i9b s ALA 28 Ca 0.22 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1i9b s ALA 28 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 1i9b s ALA 28 CO 0.08 -2.34 -0.02 0.08 0.00 0.00 0.00 175.76 173.57 1i9b s VAL 29 N 3.86 4.00 -0.13 0.00 1.01 -0.32 -4.31 120.40 124.52 1i9b s VAL 29 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1i9b s VAL 29 Cb -0.13 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1i9b s VAL 29 CO 0.19 0.47 -0.05 -0.94 0.00 0.00 0.00 175.10 174.78 1i9b s SER 30 N 0.57 4.74 0.03 3.32 1.04 0.02 -1.46 113.70 121.95 1i9b s SER 30 Ca -0.02 -0.09 0.08 0.00 0.48 0.00 0.00 55.95 56.40 1i9b s SER 30 Cb -0.14 -1.59 -0.03 0.00 0.10 0.00 0.00 66.02 64.36 1i9b s SER 30 CO 0.02 0.24 -0.23 -0.69 0.98 0.00 0.00 173.24 173.56 1i9b s VAL 31 N -0.05 2.37 -0.25 5.02 1.01 -0.87 -1.49 120.40 126.14 1i9b s VAL 31 Ca 0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1i9b s VAL 31 Cb -0.13 -1.93 0.14 0.00 0.00 0.00 0.00 36.38 34.46 1i9b s VAL 31 CO 0.03 0.41 0.43 -0.55 0.00 0.00 0.00 175.10 175.42 1i9b s SER 32 N -1.14 -0.18 0.02 3.32 0.15 -0.27 -4.13 113.70 111.46 1i9b s SER 32 Ca 0.12 0.50 -0.21 0.00 0.70 0.00 0.00 55.95 57.07 1i9b s SER 32 Cb -0.10 1.38 -0.06 0.00 -1.71 0.00 0.00 66.02 65.54 1i9b s SER 32 CO 0.02 -0.28 0.60 -0.76 1.20 0.00 0.00 173.24 174.03 1i9b s LEU 33 N 2.62 4.44 -0.26 3.45 1.43 -1.26 -1.55 118.68 127.55 1i9b s LEU 33 Ca 0.12 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1i9b s LEU 33 Cb -0.15 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.20 1i9b s LEU 33 CO -0.16 0.13 -0.05 -0.54 0.23 0.00 0.00 176.35 175.96 1i9b s LYS 34 N -0.36 1.73 0.10 1.70 -0.14 -0.88 -4.93 119.74 116.97 1i9b s LYS 34 Ca 0.31 -1.23 -0.31 0.00 -1.36 0.00 0.00 55.97 53.38 1i9b s LYS 34 Cb -0.19 -2.73 -0.07 0.00 -1.68 0.00 0.00 37.83 33.16 1i9b s LYS 34 CO 0.18 -0.66 1.34 -0.06 -0.76 0.00 0.00 175.35 175.39 1i9b s PHE 35 N 1.25 3.30 -0.16 3.18 0.40 -1.26 -0.89 117.98 123.80 1i9b s PHE 35 Ca -0.03 1.05 0.11 0.00 -0.60 0.00 0.00 56.93 57.46 1i9b s PHE 35 Cb -0.19 -3.61 -0.18 0.00 0.51 0.00 0.00 43.02 39.55 1i9b s PHE 35 CO -0.07 -2.08 0.01 -0.89 0.70 0.00 0.00 175.22 172.89 1i9b n ILE 36 N 3.89 1.05 -3.54 0.64 2.08 -0.45 -3.25 119.36 119.79 1i9b n ILE 36 Ca 0.11 -0.61 -0.09 0.00 0.56 0.00 0.00 62.75 62.72 1i9b n ILE 36 Cb 0.43 -0.70 -0.04 0.00 -0.75 0.00 0.00 39.64 38.59 1i9b n ILE 36 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1i9b s ASN 37 N -5.04 -0.36 -0.22 4.38 3.84 -0.98 -0.22 114.94 116.33 1i9b s ASN 37 Ca -0.11 0.20 0.01 0.00 0.21 0.00 0.00 52.86 53.17 1i9b s ASN 37 Cb 0.05 0.34 0.05 0.00 -0.55 0.00 0.00 41.25 41.14 1i9b s ASN 37 CO 0.59 -0.48 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.72 1i9b s ILE 38 N -2.13 1.58 -0.19 -5.21 1.01 -1.26 -0.37 121.20 114.62 1i9b s ILE 38 Ca 0.02 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 1i9b s ILE 38 Cb -0.01 -1.76 -0.21 0.00 0.01 0.00 0.00 42.46 40.49 1i9b s ILE 38 CO -0.03 0.02 0.08 0.18 0.00 0.00 0.00 174.94 175.18 1i9b n LEU 39 N 4.68 2.57 -3.83 2.97 4.77 0.13 -4.46 117.00 123.82 1i9b n LEU 39 Ca -0.13 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1i9b n LEU 39 Cb 0.45 -1.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.39 1i9b n LEU 39 CO 0.19 0.77 -0.34 -1.61 -1.33 0.00 0.00 177.39 175.08 1i9b s GLU 40 N -2.51 0.01 0.03 3.23 2.02 -1.08 -4.98 118.70 115.42 1i9b s GLU 40 Ca -0.29 0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.84 1i9b s GLU 40 Cb 0.08 -0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.22 1i9b s GLU 40 CO 0.66 -0.06 -0.13 0.08 0.02 0.00 0.00 175.26 175.83 1i9b s VAL 41 N 0.40 1.02 -0.25 2.63 1.01 -1.26 -0.98 120.40 122.95 1i9b s VAL 41 Ca -0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1i9b s VAL 41 Cb -0.05 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.52 1i9b s VAL 41 CO -0.01 0.02 0.18 0.21 0.00 0.00 0.00 175.10 175.50 1i9b s ASN 42 N -1.00 2.49 0.42 3.32 3.84 -1.05 -5.01 114.94 117.95 1i9b s ASN 42 Ca 0.01 -0.85 0.22 0.00 0.21 0.00 0.00 52.86 52.45 1i9b s ASN 42 Cb -0.07 0.01 0.82 0.00 -0.55 0.00 0.00 41.25 41.47 1i9b s ASN 42 CO 0.01 -0.39 1.79 -0.08 -2.79 0.00 0.00 177.10 175.64 1i9b h GLU 43 N 8.36 0.00 -0.22 0.43 4.81 -1.89 0.43 114.58 126.50 1i9b h GLU 43 Ca -0.17 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1i9b h GLU 43 Cb 1.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1i9b h GLU 43 CO 0.36 0.27 -0.21 0.82 -0.73 0.00 0.00 179.01 179.52 1i9b h ILE 44 N 0.00 1.32 -0.01 2.32 1.08 -1.97 -3.28 117.51 116.97 1i9b h ILE 44 Ca -0.00 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1i9b h ILE 44 Cb 0.81 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 1i9b h ILE 44 CO 0.04 0.42 -0.65 0.35 -0.69 0.00 0.00 178.15 177.62 1i9b n THR 45 N -4.41 0.00 -3.52 -0.27 -2.24 -1.16 -5.00 114.28 97.68 1i9b n THR 45 Ca -0.05 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 1i9b n THR 45 Cb 0.42 0.98 0.06 0.00 -2.10 0.00 0.00 70.33 69.68 1i9b n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i9b n ASN 46 N -0.77 -3.26 -4.04 3.42 5.03 0.15 -4.94 115.26 110.84 1i9b n ASN 46 Ca 0.07 -0.77 -0.22 0.00 0.87 0.00 0.00 54.58 54.54 1i9b n ASN 46 Cb 0.39 -4.53 -0.16 0.00 -1.02 0.00 0.00 39.78 34.47 1i9b n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1i9b s GLU 47 N -5.43 1.19 0.01 3.52 2.02 -1.09 -2.68 118.70 116.23 1i9b s GLU 47 Ca 0.17 -0.39 0.07 0.00 0.02 0.00 0.00 54.97 54.85 1i9b s GLU 47 Cb -0.04 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.09 1i9b s GLU 47 CO 0.78 0.15 -0.22 0.08 0.02 0.00 0.00 175.26 176.07 1i9b s VAL 48 N 0.15 1.72 -0.31 2.63 1.01 -0.49 -2.52 120.40 122.58 1i9b s VAL 48 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1i9b s VAL 48 Cb -0.09 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1i9b s VAL 48 CO 0.01 0.36 0.01 -0.62 0.00 0.00 0.00 175.10 174.86 1i9b s ASP 49 N -0.83 4.79 0.16 3.32 -1.08 -0.16 -0.94 116.67 121.93 1i9b s ASP 49 Ca 0.08 -1.65 0.07 0.00 -0.52 0.00 0.00 52.55 50.53 1i9b s ASP 49 Cb -0.09 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.67 1i9b s ASP 49 CO 0.00 -0.31 -0.14 0.54 0.52 0.00 0.00 175.17 175.78 1i9b s VAL 50 N 1.10 1.50 -0.04 1.11 0.11 -0.98 0.20 120.40 123.40 1i9b s VAL 50 Ca -0.00 -1.97 0.07 0.00 -2.93 0.00 0.00 61.98 57.14 1i9b s VAL 50 Cb -0.20 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 1i9b s VAL 50 CO -0.04 -0.53 -0.24 -0.69 -3.33 0.00 0.00 175.10 170.27 1i9b s VAL 51 N -2.63 2.22 0.23 2.04 1.01 0.50 -1.05 120.40 122.72 1i9b s VAL 51 Ca 0.16 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 1i9b s VAL 51 Cb -0.02 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.60 1i9b s VAL 51 CO 0.04 0.58 0.67 0.72 0.00 0.00 0.00 175.10 177.11 1i9b s PHE 52 N -0.47 -0.34 -0.34 5.22 -0.12 0.27 -1.34 117.98 120.86 1i9b s PHE 52 Ca 0.06 -0.01 -0.12 0.00 -0.05 0.00 0.00 56.93 56.81 1i9b s PHE 52 Cb -0.11 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1i9b s PHE 52 CO 0.01 -1.07 0.23 -1.58 -0.05 0.00 0.00 175.22 172.76 1i9b s TRP 53 N -3.85 3.22 -1.31 3.49 0.51 -0.07 0.26 118.94 121.20 1i9b s TRP 53 Ca 0.07 -0.30 -0.11 0.00 -2.12 0.00 0.00 56.10 53.63 1i9b s TRP 53 Cb -0.04 -2.46 0.14 0.00 -0.81 0.00 0.00 33.47 30.30 1i9b s TRP 53 CO -0.02 -0.39 1.90 0.94 -0.51 0.00 0.00 176.95 178.87 1i9b n GLN 54 N 5.09 3.42 -1.69 4.98 7.27 -0.58 -2.07 117.38 133.79 1i9b n GLN 54 Ca -0.13 -3.35 -0.40 0.00 0.07 0.00 0.00 57.00 53.19 1i9b n GLN 54 Cb 0.49 -3.04 -0.03 0.00 2.41 0.00 0.00 30.24 30.08 1i9b n GLN 54 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1i9b s GLN 55 N 1.25 2.78 0.06 3.69 0.74 -0.60 -4.12 119.66 123.46 1i9b s GLN 55 Ca 0.42 1.61 0.07 0.00 0.05 0.00 0.00 55.36 57.51 1i9b s GLN 55 Cb 0.09 -4.42 -0.03 0.00 1.10 0.00 0.00 33.01 29.75 1i9b s GLN 55 CO -0.01 -2.50 -0.17 0.99 -0.55 0.00 0.00 175.29 173.04 1i9b s THR 56 N 9.42 2.87 -0.11 -0.34 2.01 0.56 -1.11 115.64 128.94 1i9b s THR 56 Ca 0.93 -1.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.59 1i9b s THR 56 Cb -0.24 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1i9b s THR 56 CO 0.31 0.28 0.29 -0.89 -0.69 0.00 0.00 174.62 173.92 1i9b s THR 57 N -0.99 0.00 0.37 -0.82 2.01 -0.55 -1.35 115.64 114.31 1i9b s THR 57 Ca 0.16 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1i9b s THR 57 Cb -0.11 -0.42 0.06 0.00 0.01 0.00 0.00 72.50 72.04 1i9b s THR 57 CO 0.07 -0.01 0.82 -1.66 -0.69 0.00 0.00 174.62 173.14 1i9b s TRP 58 N 0.08 0.12 -0.05 4.92 -2.14 -0.89 -0.80 118.94 120.19 1i9b s TRP 58 Ca -0.01 -0.78 0.04 0.00 2.66 0.00 0.00 56.10 58.01 1i9b s TRP 58 Cb -0.02 0.83 0.00 0.00 -3.10 0.00 0.00 33.47 31.18 1i9b s TRP 58 CO 0.01 -1.52 -0.15 0.45 -2.66 0.00 0.00 176.95 173.08 1i9b s SER 59 N -3.11 1.95 -0.36 -2.66 0.15 -1.26 -0.50 113.70 107.92 1i9b s SER 59 Ca 0.16 -0.32 -0.00 0.00 0.70 0.00 0.00 55.95 56.49 1i9b s SER 59 Cb -0.05 -0.64 0.12 0.00 -1.71 0.00 0.00 66.02 63.74 1i9b s SER 59 CO 0.11 0.11 0.16 -0.62 1.20 0.00 0.00 173.24 174.20 1i9b s ASP 60 N 0.22 3.71 0.44 5.45 -1.08 0.18 -4.86 116.67 120.73 1i9b s ASP 60 Ca -0.07 -2.01 0.30 0.00 -0.52 0.00 0.00 52.55 50.26 1i9b s ASP 60 Cb -0.12 -0.81 1.54 0.00 -1.46 0.00 0.00 42.92 42.07 1i9b s ASP 60 CO 0.02 -0.35 1.93 0.03 0.52 0.00 0.00 175.17 177.32 1i9b h ARG 61 N 7.52 0.00 0.00 4.34 3.08 -1.85 -2.23 114.38 125.25 1i9b h ARG 61 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1i9b h ARG 61 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1i9b h ARG 61 CO 0.44 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.59 1i9b n THR 62 N -2.61 0.36 0.78 2.04 -2.24 -1.26 -2.24 114.28 109.10 1i9b n THR 62 Ca -0.01 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 1i9b n THR 62 Cb 0.12 -0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 1i9b n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i9b n LEU 63 N -1.34 0.75 -4.75 3.22 4.77 -0.84 -4.98 117.00 113.83 1i9b n LEU 63 Ca 0.09 -0.33 -0.38 0.00 -0.03 0.00 0.00 56.01 55.37 1i9b n LEU 63 Cb 0.20 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1i9b n LEU 63 CO 0.18 0.18 0.92 0.00 -1.33 0.00 0.00 177.39 177.33 1i9b s ALA 64 N -3.11 2.77 0.13 -1.18 0.00 -0.95 -4.69 121.76 114.74 1i9b s ALA 64 Ca 0.05 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 53.04 1i9b s ALA 64 Cb 0.16 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1i9b s ALA 64 CO 0.86 -1.19 0.37 1.67 0.00 0.00 0.00 175.76 177.47 1i9b s TRP 65 N -1.41 -0.10 -0.29 0.00 -2.14 -0.17 -4.95 118.94 109.87 1i9b s TRP 65 Ca 0.72 -0.24 -0.29 0.00 2.66 0.00 0.00 56.10 58.95 1i9b s TRP 65 Cb -0.36 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.22 1i9b s TRP 65 CO 0.42 -0.70 1.29 1.21 -2.66 0.00 0.00 176.95 176.51 1i9b s ASN 66 N -2.83 6.69 -0.24 -2.66 2.47 -1.26 -4.63 114.94 112.48 1i9b s ASN 66 Ca 0.05 1.23 0.14 0.00 0.42 0.00 0.00 52.86 54.69 1i9b s ASN 66 Cb 0.02 -2.54 0.62 0.00 -1.45 0.00 0.00 41.25 37.90 1i9b s ASN 66 CO -0.10 -1.06 1.57 -1.54 -3.72 0.00 0.00 177.10 172.25 1i9b n SER 67 N 7.56 4.20 0.13 -4.21 3.41 -1.26 -4.49 113.62 118.96 1i9b n SER 67 Ca 0.15 -3.15 0.02 0.00 -0.26 0.00 0.00 58.87 55.63 1i9b n SER 67 Cb 0.46 -0.62 0.39 0.00 -0.26 0.00 0.00 64.21 64.18 1i9b n SER 67 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i9b h SER 68 N 2.22 0.18 -0.72 4.04 4.64 -1.90 -3.18 113.55 118.83 1i9b h SER 68 Ca 0.09 -0.04 -0.43 0.00 -0.47 0.00 0.00 61.79 60.94 1i9b h SER 68 Cb 1.76 -0.05 -0.42 0.00 -0.31 0.00 0.00 62.40 63.38 1i9b h SER 68 CO 0.40 0.38 -0.95 1.41 -0.87 0.00 0.00 176.83 177.20 1i9b n HIS 69 N -4.25 2.16 -3.86 4.77 8.25 -1.26 -5.06 115.22 115.97 1i9b n HIS 69 Ca -0.01 -2.31 -0.01 0.00 -0.26 0.00 0.00 57.72 55.12 1i9b n HIS 69 Cb 0.29 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.13 1i9b n HIS 69 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1i9b s SER 70 N -3.64 -0.02 0.89 0.41 1.04 -1.20 -4.28 113.70 106.90 1i9b s SER 70 Ca 0.40 -0.46 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1i9b s SER 70 Cb 0.38 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.92 1i9b s SER 70 CO -0.01 -0.72 0.65 -2.65 0.98 0.00 0.00 173.24 171.49 1i9b n PRO 71 N -0.70 -0.15 -0.04 4.02 -0.02 -1.26 -4.76 135.00 132.09 1i9b n PRO 71 Ca -0.02 0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.45 1i9b n PRO 71 Cb 0.60 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 1i9b n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1i9b n ASP 72 N -1.88 0.28 -4.12 2.55 9.92 -1.26 -4.67 116.55 117.38 1i9b n ASP 72 Ca 0.09 0.13 -0.11 0.00 -0.53 0.00 0.00 54.79 54.36 1i9b n ASP 72 Cb 0.52 0.96 -0.11 0.00 -0.64 0.00 0.00 41.12 41.86 1i9b n ASP 72 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1i9b s GLN 73 N -2.87 0.69 0.05 -1.24 -0.21 -1.26 0.16 119.66 114.97 1i9b s GLN 73 Ca -0.07 -1.07 -0.14 0.00 0.02 0.00 0.00 55.36 54.10 1i9b s GLN 73 Cb 0.09 -0.22 0.02 0.00 1.00 0.00 0.00 33.01 33.89 1i9b s GLN 73 CO 0.84 0.01 0.30 0.14 -2.12 0.00 0.00 175.29 174.46 1i9b s VAL 74 N -2.63 0.09 -0.25 1.09 -7.23 -0.71 -4.98 120.40 105.77 1i9b s VAL 74 Ca 0.02 -0.70 -0.16 0.00 -1.81 0.00 0.00 61.98 59.33 1i9b s VAL 74 Cb -0.01 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1i9b s VAL 74 CO -0.03 -0.39 0.40 -0.44 -0.31 0.00 0.00 175.10 174.34 1i9b s SER 75 N -2.15 6.32 -0.06 4.85 0.01 -1.26 -0.92 113.70 120.50 1i9b s SER 75 Ca -0.04 0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.65 1i9b s SER 75 Cb -0.00 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1i9b s SER 75 CO -0.04 -0.17 -0.19 -0.69 0.41 0.00 0.00 173.24 172.56 1i9b s VAL 76 N 1.93 2.65 0.33 3.43 1.01 -0.05 -4.92 120.40 124.79 1i9b s VAL 76 Ca 0.17 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1i9b s VAL 76 Cb -0.15 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 1i9b s VAL 76 CO 0.09 0.58 1.34 -2.84 0.00 0.00 0.00 175.10 174.27 1i9b s PRO 77 N -0.46 4.31 0.47 2.72 0.02 -1.26 0.13 135.00 140.93 1i9b s PRO 77 Ca 0.05 2.28 0.23 0.00 0.02 0.00 0.00 61.00 63.58 1i9b s PRO 77 Cb -0.12 -3.06 1.24 0.00 0.02 0.00 0.00 34.50 32.58 1i9b s PRO 77 CO 0.01 -0.26 1.89 0.82 -0.33 0.00 0.00 177.00 179.14 1i9b h ILE 78 N 3.06 0.66 0.00 2.83 1.08 -1.54 -1.05 117.51 122.55 1i9b h ILE 78 Ca -0.49 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1i9b h ILE 78 Cb 1.23 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1i9b h ILE 78 CO 0.66 0.04 0.00 -1.54 -0.69 0.00 0.00 178.15 176.62 1i9b n SER 79 N -4.42 0.34 -0.88 1.72 3.41 -1.26 -2.51 113.62 110.02 1i9b n SER 79 Ca 0.17 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1i9b n SER 79 Cb 0.75 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 64.13 1i9b n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i9b n SER 80 N -1.88 2.83 -4.44 4.04 7.64 -0.40 -4.82 113.62 116.59 1i9b n SER 80 Ca 0.03 -1.91 -0.22 0.00 1.01 0.00 0.00 58.87 57.77 1i9b n SER 80 Cb 0.20 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.29 1i9b n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i9b s LEU 81 N -1.83 2.55 0.19 -3.43 1.43 -1.05 -4.59 118.68 111.96 1i9b s LEU 81 Ca 0.26 -1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 51.98 1i9b s LEU 81 Cb 0.18 -0.75 -0.08 0.00 0.03 0.00 0.00 46.19 45.57 1i9b s LEU 81 CO 0.27 -0.26 0.74 0.86 0.23 0.00 0.00 176.35 178.20 1i9b s TRP 82 N -2.88 3.76 0.01 0.29 -0.00 -1.26 -4.40 118.94 114.45 1i9b s TRP 82 Ca 0.29 1.49 0.02 0.00 -0.00 0.00 0.00 56.10 57.90 1i9b s TRP 82 Cb 0.02 -2.68 -0.01 0.00 -0.00 0.00 0.00 33.47 30.80 1i9b s TRP 82 CO 0.12 0.42 -0.07 0.08 -0.00 0.00 0.00 176.95 177.50 1i9b s VAL 83 N -1.36 0.51 0.21 5.86 1.01 -1.26 -5.03 120.40 120.34 1i9b s VAL 83 Ca 0.40 -0.49 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 1i9b s VAL 83 Cb -0.19 -0.47 -0.13 0.00 0.00 0.00 0.00 36.38 35.58 1i9b s VAL 83 CO 0.23 -0.01 1.53 -2.65 0.00 0.00 0.00 175.10 174.20 1i9b n PRO 84 N 2.52 2.22 -1.40 2.72 -0.02 -1.26 -4.86 135.00 134.92 1i9b n PRO 84 Ca -0.16 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 1i9b n PRO 84 Cb 0.57 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 1i9b n PRO 84 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1i9b n ASP 85 N 2.88 7.19 -4.77 2.55 5.75 -1.26 -4.95 116.55 123.94 1i9b n ASP 85 Ca 0.14 -2.79 -0.35 0.00 -0.01 0.00 0.00 54.79 51.79 1i9b n ASP 85 Cb 0.31 -1.42 0.02 0.00 -1.03 0.00 0.00 41.12 39.01 1i9b n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i9b s LEU 86 N -0.81 3.62 -0.15 -2.12 1.43 -1.26 -1.52 118.68 117.87 1i9b s LEU 86 Ca 0.64 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.77 1i9b s LEU 86 Cb 0.26 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.94 1i9b s LEU 86 CO -0.08 -1.43 0.38 0.00 0.23 0.00 0.00 176.35 175.46 1i9b s ALA 87 N -1.92 -0.95 -0.53 4.21 0.00 -0.72 -4.86 121.76 116.99 1i9b s ALA 87 Ca 0.72 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 53.57 1i9b s ALA 87 Cb -0.24 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.25 1i9b s ALA 87 CO 0.33 -0.19 0.96 0.00 0.00 0.00 0.00 175.76 176.85 1i9b s ALA 88 N 0.39 3.17 0.43 0.00 0.00 -1.26 -2.14 121.76 122.34 1i9b s ALA 88 Ca -0.02 -1.08 0.23 0.00 0.00 0.00 0.00 51.96 51.10 1i9b s ALA 88 Cb -0.04 -3.74 1.22 0.00 0.00 0.00 0.00 23.12 20.56 1i9b s ALA 88 CO -0.01 -2.32 1.76 1.88 0.00 0.00 0.00 175.76 177.06 1i9b h TYR 89 N 9.27 0.54 -0.44 0.00 0.05 -0.64 -0.74 116.97 125.00 1i9b h TYR 89 Ca -0.25 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.43 1i9b h TYR 89 Cb 1.07 -0.15 -0.07 0.00 1.01 0.00 0.00 36.73 38.59 1i9b h TYR 89 CO 0.91 0.02 0.07 0.27 -1.05 0.00 0.00 178.16 178.38 1i9b n ASN 90 N -4.57 3.93 -4.74 3.88 6.94 -1.26 -4.98 115.26 114.46 1i9b n ASN 90 Ca 0.27 -3.25 -0.41 0.00 -0.02 0.00 0.00 54.58 51.16 1i9b n ASN 90 Cb 1.01 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 37.76 1i9b n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i9b s ALA 91 N -2.98 3.46 -0.80 -2.53 0.00 -0.29 -1.21 121.76 117.41 1i9b s ALA 91 Ca 0.47 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.64 1i9b s ALA 91 Cb 0.39 -3.43 -0.23 0.00 0.00 0.00 0.00 23.12 19.86 1i9b s ALA 91 CO 0.09 -0.42 0.78 -0.89 0.00 0.00 0.00 175.76 175.32 1i9b n ILE 92 N 2.25 0.00 -4.16 0.00 5.41 0.22 -4.87 119.36 118.21 1i9b n ILE 92 Ca 0.04 -0.09 -0.11 0.00 1.00 0.00 0.00 62.75 63.58 1i9b n ILE 92 Cb 0.44 0.87 -0.09 0.00 -0.71 0.00 0.00 39.64 40.15 1i9b n ILE 92 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i9b s SER 93 N -3.04 0.17 0.53 4.38 1.04 -1.22 -4.95 113.70 110.61 1i9b s SER 93 Ca 0.05 -1.27 -0.07 0.00 0.48 0.00 0.00 55.95 55.14 1i9b s SER 93 Cb 0.15 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1i9b s SER 93 CO 0.81 -0.83 0.87 -1.59 0.98 0.00 0.00 173.24 173.47 1i9b s LYS 94 N -4.11 3.49 0.15 4.02 -2.85 -1.26 -4.64 119.74 114.55 1i9b s LYS 94 Ca 0.32 0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 55.31 1i9b s LYS 94 Cb 0.06 -2.28 -0.10 0.00 -2.06 0.00 0.00 37.83 33.46 1i9b s LYS 94 CO 0.08 -0.36 1.57 -2.14 0.10 0.00 0.00 175.35 174.60 1i9b s PRO 95 N -4.89 4.22 -0.65 1.78 0.02 -1.26 -4.80 135.00 129.42 1i9b s PRO 95 Ca 0.50 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.74 1i9b s PRO 95 Cb -0.11 -3.22 0.16 0.00 0.02 0.00 0.00 34.50 31.36 1i9b s PRO 95 CO 0.47 -0.62 0.57 -2.00 -0.33 0.00 0.00 177.00 175.10 1i9b s GLU 96 N 1.34 3.10 -0.21 5.54 2.12 -0.77 -4.97 118.70 124.85 1i9b s GLU 96 Ca 0.70 -2.08 -0.29 0.00 0.36 0.00 0.00 54.97 53.66 1i9b s GLU 96 Cb -0.43 -4.24 -0.02 0.00 0.26 0.00 0.00 34.13 29.70 1i9b s GLU 96 CO 0.31 -1.28 1.50 0.08 -0.54 0.00 0.00 175.26 175.33 1i9b s VAL 97 N 0.87 3.87 -0.91 3.70 1.01 -1.26 -2.14 120.40 125.54 1i9b s VAL 97 Ca 0.10 1.00 0.25 0.00 0.00 0.00 0.00 61.98 63.34 1i9b s VAL 97 Cb -0.21 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1i9b s VAL 97 CO -0.03 -0.28 1.45 0.18 0.00 0.00 0.00 175.10 176.43 1i9b n LEU 98 N 7.80 0.49 -4.55 3.92 4.77 0.12 -4.95 117.00 124.60 1i9b n LEU 98 Ca 0.17 0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 56.01 1i9b n LEU 98 Cb 0.45 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1i9b n LEU 98 CO 0.63 0.07 -0.38 0.42 -1.33 0.00 0.00 177.39 176.79 1i9b s THR 99 N -3.04 2.31 0.21 -5.08 -4.23 -1.26 -4.97 115.64 99.59 1i9b s THR 99 Ca 0.10 -2.19 -0.32 0.00 -1.18 0.00 0.00 61.69 58.10 1i9b s THR 99 Cb 0.17 -2.64 -0.14 0.00 1.34 0.00 0.00 72.50 71.23 1i9b s THR 99 CO 0.69 -0.22 1.34 -2.65 -0.54 0.00 0.00 174.62 173.24 1i9b n PRO 100 N -0.80 1.77 -1.90 3.99 -0.02 -1.26 -4.83 135.00 131.95 1i9b n PRO 100 Ca -0.05 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1i9b n PRO 100 Cb 0.63 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1i9b n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i9b n GLN 101 N 2.01 3.85 -4.60 -0.52 6.02 -1.26 -4.89 117.38 117.99 1i9b n GLN 101 Ca 0.13 -3.07 -0.31 0.00 -0.01 0.00 0.00 57.00 53.74 1i9b n GLN 101 Cb 0.29 -2.86 -0.12 0.00 1.02 0.00 0.00 30.24 28.58 1i9b n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1i9b s LEU 102 N -0.37 2.79 0.39 1.08 1.43 -1.26 -1.34 118.68 121.40 1i9b s LEU 102 Ca 0.52 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1i9b s LEU 102 Cb 0.15 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1i9b s LEU 102 CO -0.06 0.26 0.17 0.00 0.23 0.00 0.00 176.35 176.95 1i9b s ALA 103 N -0.95 3.56 -0.14 4.21 0.00 0.12 -4.70 121.76 123.85 1i9b s ALA 103 Ca 0.15 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1i9b s ALA 103 Cb -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1i9b s ALA 103 CO 0.06 -0.11 -0.15 0.50 0.00 0.00 0.00 175.76 176.05 1i9b s ARG 104 N -3.89 3.25 -0.16 0.00 6.06 0.31 -0.87 118.95 123.66 1i9b s ARG 104 Ca 0.40 -0.74 0.00 0.00 -2.50 0.00 0.00 55.73 52.90 1i9b s ARG 104 Cb 0.02 -2.60 0.00 0.00 0.06 0.00 0.00 34.95 32.44 1i9b s ARG 104 CO 0.23 0.10 -0.16 0.08 -2.50 0.00 0.00 175.30 173.04 1i9b s VAL 105 N 0.62 2.52 0.09 7.11 1.01 -0.10 -0.95 120.40 130.70 1i9b s VAL 105 Ca -0.09 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1i9b s VAL 105 Cb -0.16 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1i9b s VAL 105 CO 0.03 0.52 0.48 -0.69 0.00 0.00 0.00 175.10 175.44 1i9b s VAL 106 N 0.93 4.94 0.64 2.92 1.01 -0.29 -1.74 120.40 128.81 1i9b s VAL 106 Ca -0.03 0.79 0.21 0.00 0.00 0.00 0.00 61.98 62.95 1i9b s VAL 106 Cb -0.15 -3.73 0.25 0.00 0.00 0.00 0.00 36.38 32.76 1i9b s VAL 106 CO -0.02 0.37 1.56 0.77 0.00 0.00 0.00 175.10 177.77 1i9b h SER 107 N 3.97 0.00 -0.22 3.32 4.64 0.13 0.91 113.55 126.30 1i9b h SER 107 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1i9b h SER 107 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1i9b h SER 107 CO 0.65 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1i9b n ASP 108 N -3.03 1.42 0.00 4.97 5.75 -1.26 -1.00 116.55 123.39 1i9b n ASP 108 Ca 0.05 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1i9b n ASP 108 Cb 0.81 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1i9b n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i9b n GLY 109 N 0.99 0.75 3.74 6.12 0.00 0.31 -4.73 105.19 112.36 1i9b n GLY 109 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1i9b n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9b s GLU 110 N -0.56 4.73 -0.07 1.61 2.56 -1.21 0.50 118.70 126.25 1i9b s GLU 110 Ca 0.00 1.51 0.05 0.00 0.00 0.00 0.00 54.97 56.53 1i9b s GLU 110 Cb 0.00 -3.33 -0.01 0.00 2.00 0.00 0.00 34.13 32.79 1i9b s GLU 110 CO 0.00 0.28 -0.23 0.08 -0.56 0.00 0.00 175.26 174.83 1i9b s VAL 111 N -0.39 1.94 -0.15 3.70 1.01 0.35 -1.13 120.40 125.72 1i9b s VAL 111 Ca 0.46 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1i9b s VAL 111 Cb -0.25 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1i9b s VAL 111 CO 0.31 0.54 -0.08 -0.76 0.00 0.00 0.00 175.10 175.11 1i9b s LEU 112 N 0.01 1.61 -0.16 3.92 2.01 -0.12 -2.09 118.68 123.85 1i9b s LEU 112 Ca -0.08 -0.57 0.00 0.00 0.01 0.00 0.00 54.13 53.50 1i9b s LEU 112 Cb -0.15 -0.98 0.03 0.00 0.01 0.00 0.00 46.19 45.10 1i9b s LEU 112 CO 0.05 -0.14 -0.11 -0.47 1.01 0.00 0.00 176.35 176.68 1i9b s TYR 113 N 1.60 2.09 -0.49 0.29 5.04 -0.46 -0.53 117.35 124.90 1i9b s TYR 113 Ca 0.02 -1.24 0.04 0.00 -2.44 0.00 0.00 57.07 53.45 1i9b s TYR 113 Cb -0.14 -1.53 0.16 0.00 0.35 0.00 0.00 41.96 40.80 1i9b s TYR 113 CO -0.08 -0.66 0.36 1.41 -1.34 0.00 0.00 175.55 175.23 1i9b s MET 114 N 1.51 1.34 0.37 4.97 -2.45 -1.26 -0.33 119.30 123.45 1i9b s MET 114 Ca 0.03 -2.36 -0.14 0.00 -1.25 0.00 0.00 55.69 51.97 1i9b s MET 114 Cb -0.14 -2.06 -0.08 0.00 1.25 0.00 0.00 34.83 33.79 1i9b s MET 114 CO -0.09 -1.32 0.78 -1.25 1.05 0.00 0.00 175.02 174.19 1i9b s PRO 115 N -0.22 3.94 -0.24 4.11 0.04 -1.26 -4.80 135.00 136.58 1i9b s PRO 115 Ca 0.27 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 61.80 1i9b s PRO 115 Cb -0.04 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1i9b s PRO 115 CO -0.15 0.06 0.47 0.45 0.04 0.00 0.00 177.00 177.87 1i9b s SER 116 N -2.60 6.43 -0.05 6.66 0.15 -1.26 -1.52 113.70 121.51 1i9b s SER 116 Ca 0.54 0.52 0.06 0.00 0.70 0.00 0.00 55.95 57.76 1i9b s SER 116 Cb -0.10 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 1i9b s SER 116 CO 0.22 -0.21 -0.23 -0.63 1.20 0.00 0.00 173.24 173.59 1i9b s ILE 117 N 1.94 2.25 -0.15 6.45 1.01 0.14 -0.70 121.20 132.14 1i9b s ILE 117 Ca 0.20 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1i9b s ILE 117 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1i9b s ILE 117 CO 0.09 0.57 -0.03 -0.60 0.00 0.00 0.00 174.94 174.97 1i9b s ARG 118 N -0.30 3.64 -0.04 2.79 3.52 -0.91 -0.56 118.95 127.09 1i9b s ARG 118 Ca 0.01 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 1i9b s ARG 118 Cb -0.13 -2.92 0.07 0.00 -1.56 0.00 0.00 34.95 30.42 1i9b s ARG 118 CO 0.02 0.28 0.70 -1.14 -0.81 0.00 0.00 175.30 174.35 1i9b s GLN 119 N 0.27 1.04 0.02 5.12 0.74 -0.21 -1.85 119.66 124.79 1i9b s GLN 119 Ca -0.03 0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.51 1i9b s GLN 119 Cb -0.14 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.42 1i9b s GLN 119 CO 0.03 -0.34 0.25 1.03 -0.55 0.00 0.00 175.29 175.70 1i9b s ARG 120 N -1.47 3.53 0.10 1.67 0.52 -1.26 -2.32 118.95 119.71 1i9b s ARG 120 Ca -0.09 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.96 1i9b s ARG 120 Cb -0.00 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1i9b s ARG 120 CO 0.07 0.64 -0.08 -0.06 0.02 0.00 0.00 175.30 175.89 1i9b s PHE 121 N -1.36 0.93 -0.37 -0.53 0.40 -0.12 0.70 117.98 117.63 1i9b s PHE 121 Ca 0.29 -0.79 -0.08 0.00 -0.60 0.00 0.00 56.93 55.75 1i9b s PHE 121 Cb -0.13 -0.53 0.04 0.00 0.51 0.00 0.00 43.02 42.92 1i9b s PHE 121 CO 0.19 -0.09 0.17 0.45 0.70 0.00 0.00 175.22 176.64 1i9b s SER 122 N -2.74 5.52 0.37 1.36 0.15 -0.35 -1.40 113.70 116.61 1i9b s SER 122 Ca 0.08 -1.17 -0.10 0.00 0.70 0.00 0.00 55.95 55.46 1i9b s SER 122 Cb 0.01 -1.94 0.04 0.00 -1.71 0.00 0.00 66.02 62.42 1i9b s SER 122 CO -0.03 -0.39 0.67 0.00 1.20 0.00 0.00 173.24 174.70 1i9b s ASP 124 N -3.14 6.24 -0.05 0.00 -1.08 -1.26 -4.46 116.67 112.92 1i9b s ASP 124 Ca 0.21 0.90 0.21 0.00 -0.52 0.00 0.00 52.55 53.35 1i9b s ASP 124 Cb -0.03 -2.54 -0.29 0.00 -1.46 0.00 0.00 42.92 38.60 1i9b s ASP 124 CO 0.15 -1.50 0.43 0.52 0.52 0.00 0.00 175.17 175.30 1i9b n VAL 125 N 7.15 0.45 -1.60 1.11 0.31 -1.26 -3.67 118.33 120.82 1i9b n VAL 125 Ca 0.18 -0.60 -0.54 0.00 -0.01 0.00 0.00 64.34 63.37 1i9b n VAL 125 Cb 0.48 -0.18 -0.06 0.00 -0.91 0.00 0.00 33.84 33.17 1i9b n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1i9b n SER 126 N -2.44 1.52 0.00 4.52 3.41 -1.26 -1.28 113.62 118.09 1i9b n SER 126 Ca -0.11 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 1i9b n SER 126 Cb 0.73 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1i9b n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9b n GLY 127 N 2.62 0.34 0.26 5.00 0.00 -1.26 -4.28 105.19 107.86 1i9b n GLY 127 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1i9b n GLY 127 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i9b h VAL 128 N 0.00 0.34 -1.93 1.61 2.07 -1.41 -1.62 116.25 115.32 1i9b h VAL 128 Ca 0.00 -0.01 -0.78 0.00 0.82 0.00 0.00 66.70 66.73 1i9b h VAL 128 Cb 0.00 0.30 -0.21 0.00 -1.52 0.00 0.00 31.29 29.87 1i9b h VAL 128 CO 0.00 0.01 1.57 -0.67 0.02 0.00 0.00 177.57 178.50 1i9b n ASP 129 N -5.41 6.68 -3.89 0.57 -0.08 -1.26 -0.14 116.55 113.02 1i9b n ASP 129 Ca 0.10 -3.33 -0.09 0.00 -1.51 0.00 0.00 54.79 49.96 1i9b n ASP 129 Cb 0.38 -1.33 -0.07 0.00 2.34 0.00 0.00 41.12 42.45 1i9b n ASP 129 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1i9b s THR 130 N -1.90 0.11 0.14 5.18 2.01 -0.62 -4.99 115.64 115.58 1i9b s THR 130 Ca 0.41 -1.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 1i9b s THR 130 Cb 0.13 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1i9b s THR 130 CO -0.02 -0.52 1.50 -0.33 -0.69 0.00 0.00 174.62 174.56 1i9b h GLU 131 N 2.67 0.91 0.00 4.92 4.39 -1.90 -2.34 114.58 123.22 1i9b h GLU 131 Ca -0.33 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1i9b h GLU 131 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1i9b h GLU 131 CO 0.53 1.09 0.00 0.66 -1.16 0.00 0.00 179.01 180.13 1i9b h SER 132 N 0.73 0.00 -0.50 1.42 4.64 -1.96 -3.49 113.55 114.38 1i9b h SER 132 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1i9b h SER 132 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1i9b h SER 132 CO 0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1i9b n GLY 133 N 1.27 -0.04 3.78 -0.77 0.00 -0.88 -4.84 105.19 103.72 1i9b n GLY 133 Ca 0.05 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1i9b n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i9b s ALA 134 N -1.92 3.50 -0.29 4.61 0.00 0.45 -4.47 121.76 123.64 1i9b s ALA 134 Ca 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1i9b s ALA 134 Cb 0.00 -1.16 0.09 0.00 0.00 0.00 0.00 23.12 22.04 1i9b s ALA 134 CO 0.00 0.24 0.04 0.99 0.00 0.00 0.00 175.76 177.03 1i9b s THR 135 N -2.19 1.43 -0.32 0.00 2.01 -1.25 -1.51 115.64 113.80 1i9b s THR 135 Ca 0.33 -1.56 -0.13 0.00 0.31 0.00 0.00 61.69 60.63 1i9b s THR 135 Cb -0.07 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1i9b s THR 135 CO 0.24 -0.47 0.28 0.00 -0.69 0.00 0.00 174.62 173.98 1i9b s ARG 137 N 1.85 3.89 -0.16 0.00 0.52 -1.26 0.17 118.95 123.96 1i9b s ARG 137 Ca 0.09 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 1i9b s ARG 137 Cb -0.17 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.05 1i9b s ARG 137 CO 0.11 0.43 -0.18 0.42 0.02 0.00 0.00 175.30 176.10 1i9b s ILE 138 N -0.03 1.86 -0.21 1.52 1.01 0.18 -4.84 121.20 120.69 1i9b s ILE 138 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1i9b s ILE 138 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1i9b s ILE 138 CO 0.00 0.51 0.03 -0.54 0.00 0.00 0.00 174.94 174.94 1i9b s LYS 139 N 1.29 3.72 -0.03 2.79 1.02 -1.26 -1.07 119.74 126.20 1i9b s LYS 139 Ca 0.03 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.57 1i9b s LYS 139 Cb -0.13 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1i9b s LYS 139 CO -0.10 0.04 -0.07 0.96 -0.92 0.00 0.00 175.35 175.25 1i9b s ILE 140 N 0.97 0.68 0.34 2.17 -4.36 -0.83 0.18 121.20 120.35 1i9b s ILE 140 Ca 0.03 -0.27 -0.18 0.00 -0.26 0.00 0.00 60.65 59.97 1i9b s ILE 140 Cb -0.14 -0.63 0.04 0.00 1.25 0.00 0.00 42.46 42.98 1i9b s ILE 140 CO 0.02 0.23 0.76 -0.83 0.24 0.00 0.00 174.94 175.36 1i9b s GLY 141 N 0.42 0.21 0.41 6.27 0.00 -0.91 -1.92 107.32 111.80 1i9b s GLY 141 Ca -0.06 -0.59 -0.26 0.00 0.00 0.00 0.00 44.72 43.80 1i9b s GLY 141 CO 0.01 -0.24 1.32 -1.26 0.00 0.00 0.00 173.10 172.93 1i9b n SER 142 N -1.04 2.82 -0.00 1.64 2.88 -1.26 -1.76 113.62 116.90 1i9b n SER 142 Ca -0.07 1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 58.49 1i9b n SER 142 Cb 0.60 -1.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.39 1i9b n SER 142 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1i9b h TRP 143 N 2.27 0.14 0.00 0.66 2.91 -1.61 -3.41 115.95 116.92 1i9b h TRP 143 Ca -0.48 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 59.43 1i9b h TRP 143 Cb 1.28 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1i9b h TRP 143 CO 0.49 1.19 -0.42 0.25 -1.03 0.00 0.00 178.44 178.92 1i9b n THR 144 N -3.20 0.00 -4.01 2.65 -2.24 -1.26 -5.00 114.28 101.23 1i9b n THR 144 Ca -0.18 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 1i9b n THR 144 Cb 1.04 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.99 1i9b n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i9b s HIS 145 N -1.51 3.17 0.90 4.78 3.76 -1.26 -5.10 115.29 120.04 1i9b s HIS 145 Ca 0.00 -0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.69 1i9b s HIS 145 Cb 0.02 -2.10 0.18 0.00 1.11 0.00 0.00 32.58 31.79 1i9b s HIS 145 CO 0.10 -0.00 1.24 -3.38 -0.85 0.00 0.00 174.74 171.84 1i9b s HIS 146 N 0.69 1.59 0.60 1.40 -3.43 -1.26 -4.59 115.29 110.30 1i9b s HIS 146 Ca 0.03 0.17 0.29 0.00 -0.80 0.00 0.00 55.06 54.74 1i9b s HIS 146 Cb -0.13 -3.84 1.48 0.00 -1.43 0.00 0.00 32.58 28.65 1i9b s HIS 146 CO 0.02 -2.42 1.88 0.66 -2.00 0.00 0.00 174.74 172.88 1i9b h SER 147 N -1.37 0.00 1.58 7.38 4.64 -0.98 0.45 113.55 125.25 1i9b h SER 147 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1i9b h SER 147 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1i9b h SER 147 CO 0.39 0.00 -0.00 0.03 -0.87 0.00 0.00 176.83 176.37 1i9b h ARG 148 N 0.00 0.00 0.00 4.77 3.08 -1.92 -3.37 114.38 116.94 1i9b h ARG 148 Ca 0.18 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.01 1i9b h ARG 148 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 1i9b h ARG 148 CO -0.00 0.00 -1.74 0.39 -1.07 0.00 0.00 179.97 177.55 1i9b n GLU 149 N -2.43 0.29 -4.78 0.04 1.02 -0.23 -3.31 120.64 111.24 1i9b n GLU 149 Ca 0.05 0.11 -0.24 0.00 -0.02 0.00 0.00 57.16 57.06 1i9b n GLU 149 Cb 0.45 -1.05 -0.15 0.00 -0.02 0.00 0.00 31.44 30.66 1i9b n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i9b s ILE 150 N -2.25 1.31 -0.03 -3.67 1.01 -0.02 0.11 121.20 117.66 1i9b s ILE 150 Ca -0.18 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1i9b s ILE 150 Cb 0.06 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.44 1i9b s ILE 150 CO 0.25 0.37 -0.09 -0.94 0.00 0.00 0.00 174.94 174.54 1i9b s SER 151 N -0.29 1.22 0.00 3.58 1.04 -0.72 -3.48 113.70 115.06 1i9b s SER 151 Ca 0.04 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1i9b s SER 151 Cb -0.07 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.61 1i9b s SER 151 CO -0.00 0.04 -0.06 0.68 0.98 0.00 0.00 173.24 174.88 1i9b s VAL 152 N 0.37 3.70 -0.04 5.02 -7.23 -1.25 -1.18 120.40 119.79 1i9b s VAL 152 Ca -0.06 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.30 1i9b s VAL 152 Cb -0.10 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1i9b s VAL 152 CO 0.01 0.40 0.15 -1.81 -0.31 0.00 0.00 175.10 173.53 1i9b s ASP 153 N -1.41 -0.11 1.17 4.85 1.01 -0.53 -4.75 116.67 116.89 1i9b s ASP 153 Ca 0.17 0.18 -0.17 0.00 0.71 0.00 0.00 52.55 53.44 1i9b s ASP 153 Cb -0.11 0.29 0.24 0.00 1.01 0.00 0.00 42.92 44.35 1i9b s ASP 153 CO 0.08 -0.13 0.95 -2.65 0.21 0.00 0.00 175.17 173.63 1i9b n PRO 154 N 2.62 -2.50 0.00 8.23 -0.02 -1.26 -2.05 135.00 140.01 1i9b n PRO 154 Ca -0.15 -1.51 0.00 0.00 -2.02 0.00 0.00 63.50 59.82 1i9b n PRO 154 Cb 0.58 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 1i9b n PRO 154 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i9b n THR 155 N -4.32 0.00 -0.38 3.45 -2.24 -1.26 -4.79 114.28 104.74 1i9b n THR 155 Ca 0.13 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 1i9b n THR 155 Cb 0.49 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1i9b n THR 155 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1i9b n THR 156 N 0.00 0.00 0.59 4.28 -1.04 -1.26 -4.84 114.28 112.02 1i9b n THR 156 Ca 0.00 -0.01 0.12 0.00 -2.04 0.00 0.00 64.05 62.12 1i9b n THR 156 Cb 0.00 -0.11 0.26 0.00 -1.82 0.00 0.00 70.33 68.66 1i9b n THR 156 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i9b n GLU 157 N 2.07 0.28 0.00 -2.82 1.02 -1.26 -4.46 120.64 115.47 1i9b n GLU 157 Ca 0.17 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1i9b n GLU 157 Cb 0.01 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1i9b n GLU 157 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i9b n ASN 158 N -2.17 0.00 0.00 1.62 3.02 -1.26 -4.87 115.26 111.60 1i9b n ASN 158 Ca 0.04 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1i9b n ASN 158 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1i9b n ASN 158 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i9b n SER 159 N -0.35 0.00 -4.69 6.41 3.41 -1.26 -4.55 113.62 112.60 1i9b n SER 159 Ca 0.00 0.00 -0.52 0.00 -0.26 0.00 0.00 58.87 58.09 1i9b n SER 159 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1i9b n SER 159 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1i9b n ASP 160 N 0.00 2.88 0.16 4.04 2.03 -1.26 -4.77 116.55 119.64 1i9b n ASP 160 Ca 0.00 1.03 0.06 0.00 0.52 0.00 0.00 54.79 56.40 1i9b n ASP 160 Cb 0.00 -1.26 0.31 0.00 -0.72 0.00 0.00 41.12 39.45 1i9b n ASP 160 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i9b n ASP 161 N 5.72 0.30 -1.46 1.67 8.00 -1.26 -1.56 116.55 127.96 1i9b n ASP 161 Ca 0.24 0.52 0.03 0.00 0.71 0.00 0.00 54.79 56.28 1i9b n ASP 161 Cb 0.22 -0.44 0.07 0.00 -0.02 0.00 0.00 41.12 40.95 1i9b n ASP 161 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i9b n SER 162 N -2.01 1.42 0.05 -2.24 3.41 -1.26 -4.69 113.62 108.29 1i9b n SER 162 Ca -0.01 -2.55 0.11 0.00 -0.26 0.00 0.00 58.87 56.16 1i9b n SER 162 Cb 0.37 -0.38 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 1i9b n SER 162 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1i9b n GLU 163 N -0.08 0.08 0.00 4.33 0.28 -0.60 -2.53 120.64 122.12 1i9b n GLU 163 Ca 0.11 0.22 0.03 0.00 -0.16 0.00 0.00 57.16 57.36 1i9b n GLU 163 Cb 0.99 -1.63 -0.01 0.00 1.43 0.00 0.00 31.44 32.22 1i9b n GLU 163 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1i9b n TYR 164 N -1.78 0.00 -1.97 -1.84 4.01 -1.26 -5.03 117.16 109.28 1i9b n TYR 164 Ca 0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.39 1i9b n TYR 164 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1i9b n TYR 164 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1i9b s PHE 165 N -1.15 2.70 0.32 -0.72 5.36 -1.05 -4.57 117.98 118.88 1i9b s PHE 165 Ca 0.04 1.36 -0.28 0.00 -0.96 0.00 0.00 56.93 57.09 1i9b s PHE 165 Cb 0.05 -3.75 -0.10 0.00 -0.34 0.00 0.00 43.02 38.88 1i9b s PHE 165 CO 0.17 -2.36 1.19 0.45 -1.46 0.00 0.00 175.22 173.21 1i9b s SER 166 N -0.67 6.94 0.28 6.13 0.15 0.69 -4.92 113.70 122.30 1i9b s SER 166 Ca 0.58 2.45 0.21 0.00 0.70 0.00 0.00 55.95 59.89 1i9b s SER 166 Cb -0.40 -2.63 0.11 0.00 -1.71 0.00 0.00 66.02 61.39 1i9b s SER 166 CO 0.51 -0.39 1.26 0.06 1.20 0.00 0.00 173.24 175.88 1i9b h GLN 167 N 3.42 0.00 -0.03 5.44 3.07 -1.92 -3.26 115.11 121.82 1i9b h GLN 167 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1i9b h GLN 167 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1i9b h GLN 167 CO 0.65 0.09 0.00 0.66 0.09 0.00 0.00 178.83 180.32 1i9b n TYR 168 N -2.91 0.03 -1.80 0.06 4.01 -1.26 -4.90 117.16 110.39 1i9b n TYR 168 Ca 0.01 -0.02 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 1i9b n TYR 168 Cb 0.60 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.65 1i9b n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1i9b s SER 169 N -1.90 5.69 0.25 7.72 0.15 -1.23 -4.86 113.70 119.52 1i9b s SER 169 Ca 0.39 2.87 0.23 0.00 0.70 0.00 0.00 55.95 60.14 1i9b s SER 169 Cb 0.20 -2.65 0.98 0.00 -1.71 0.00 0.00 66.02 62.84 1i9b s SER 169 CO 0.32 -1.30 1.69 -1.14 1.20 0.00 0.00 173.24 174.02 1i9b n ARG 170 N -0.45 0.18 -4.74 5.44 0.63 -1.26 -4.76 116.66 111.69 1i9b n ARG 170 Ca 0.07 0.44 -0.33 0.00 -0.92 0.00 0.00 57.85 57.11 1i9b n ARG 170 Cb 0.43 -1.87 -0.07 0.00 0.45 0.00 0.00 32.46 31.40 1i9b n ARG 170 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1i9b s PHE 171 N -3.33 1.81 0.03 -0.14 0.40 -1.26 -2.73 117.98 112.76 1i9b s PHE 171 Ca 0.03 -1.02 -0.06 0.00 -0.60 0.00 0.00 56.93 55.28 1i9b s PHE 171 Cb 0.09 -1.55 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 1i9b s PHE 171 CO 0.36 0.15 0.11 -1.83 0.70 0.00 0.00 175.22 174.71 1i9b s GLU 172 N -3.87 0.59 -0.21 0.44 -1.05 -0.49 -4.80 118.70 109.32 1i9b s GLU 172 Ca 0.05 -0.71 -0.10 0.00 -0.15 0.00 0.00 54.97 54.07 1i9b s GLU 172 Cb 0.01 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.89 1i9b s GLU 172 CO 0.03 -0.15 0.13 0.42 0.95 0.00 0.00 175.26 176.64 1i9b s ILE 173 N -2.49 5.27 -0.15 1.83 1.01 -1.26 -1.65 121.20 123.76 1i9b s ILE 173 Ca -0.06 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 1i9b s ILE 173 Cb -0.02 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1i9b s ILE 173 CO -0.04 0.41 0.05 -0.07 0.00 0.00 0.00 174.94 175.29 1i9b h LEU 174 N 6.95 0.00 -7.12 2.97 3.38 -1.16 -3.49 115.31 116.85 1i9b h LEU 174 Ca -0.39 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.30 1i9b h LEU 174 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1i9b h LEU 174 CO 0.72 0.94 0.11 -0.62 0.09 0.00 0.00 178.44 179.68 1i9b s ASP 175 N -6.06 -0.50 -0.05 -0.43 2.15 -0.67 -5.04 116.67 106.08 1i9b s ASP 175 Ca -0.17 0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1i9b s ASP 175 Cb 0.02 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.20 1i9b s ASP 175 CO 0.33 -0.81 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.82 1i9b s VAL 176 N -2.88 0.34 0.04 1.11 1.01 -1.26 -1.03 120.40 117.74 1i9b s VAL 176 Ca -0.03 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1i9b s VAL 176 Cb -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1i9b s VAL 176 CO -0.05 0.20 -0.09 0.42 0.00 0.00 0.00 175.10 175.58 1i9b s THR 177 N 1.27 0.69 -0.09 3.92 -4.23 -1.09 -4.99 115.64 111.11 1i9b s THR 177 Ca -0.06 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1i9b s THR 177 Cb -0.13 -0.71 0.02 0.00 1.34 0.00 0.00 72.50 73.01 1i9b s THR 177 CO -0.02 -0.28 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.56 1i9b s GLN 178 N -1.46 1.84 -0.15 3.99 -0.21 -1.26 -0.43 119.66 121.98 1i9b s GLN 178 Ca -0.06 -0.43 -0.01 0.00 0.02 0.00 0.00 55.36 54.88 1i9b s GLN 178 Cb -0.09 -1.61 0.04 0.00 1.00 0.00 0.00 33.01 32.35 1i9b s GLN 178 CO 0.01 -0.07 -0.03 0.15 -2.12 0.00 0.00 175.29 173.23 1i9b s LYS 179 N 1.00 1.21 0.69 2.91 1.02 -0.20 -4.89 119.74 121.47 1i9b s LYS 179 Ca -0.08 -0.38 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 1i9b s LYS 179 Cb -0.15 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.37 1i9b s LYS 179 CO -0.01 -0.42 1.13 -1.59 -0.92 0.00 0.00 175.35 173.54 1i9b s LYS 180 N 1.73 2.58 0.38 1.68 0.00 -1.26 -2.24 119.74 122.61 1i9b s LYS 180 Ca 0.02 1.44 0.05 0.00 0.00 0.00 0.00 55.97 57.48 1i9b s LYS 180 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 37.83 35.74 1i9b s LYS 180 CO -0.07 -1.43 0.19 -0.80 0.00 0.00 0.00 175.35 173.24 1i9b s ASN 181 N -2.56 2.39 -0.28 0.03 0.01 0.16 -4.88 114.94 109.81 1i9b s ASN 181 Ca 0.68 -1.73 0.01 0.00 -0.71 0.00 0.00 52.86 51.11 1i9b s ASN 181 Cb -0.22 0.56 0.17 0.00 0.41 0.00 0.00 41.25 42.17 1i9b s ASN 181 CO 0.44 -1.00 0.47 -0.55 -1.51 0.00 0.00 177.10 174.94 1i9b s SER 182 N -3.52 -0.35 0.02 -1.22 0.15 -1.26 -2.46 113.70 105.06 1i9b s SER 182 Ca 0.30 0.09 0.04 0.00 0.70 0.00 0.00 55.95 57.08 1i9b s SER 182 Cb 0.02 1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 65.77 1i9b s SER 182 CO 0.20 -0.31 -0.08 -0.69 1.20 0.00 0.00 173.24 173.56 1i9b s VAL 183 N 2.65 3.56 -0.14 4.45 1.01 -1.10 -4.89 120.40 125.95 1i9b s VAL 183 Ca 0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1i9b s VAL 183 Cb -0.13 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1i9b s VAL 183 CO -0.24 0.35 -0.12 -0.89 0.00 0.00 0.00 175.10 174.19 1i9b s THR 184 N -1.02 3.08 -0.03 3.92 2.01 -1.26 0.79 115.64 123.12 1i9b s THR 184 Ca 0.18 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1i9b s THR 184 Cb -0.11 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1i9b s THR 184 CO 0.08 0.52 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.20 1i9b s TYR 185 N 0.47 3.05 0.36 4.92 1.51 -1.23 -4.99 117.35 121.44 1i9b s TYR 185 Ca -0.09 0.08 0.11 0.00 -1.01 0.00 0.00 57.07 56.16 1i9b s TYR 185 Cb -0.16 -1.69 0.89 0.00 -0.11 0.00 0.00 41.96 40.89 1i9b s TYR 185 CO 0.04 0.43 1.83 0.66 -1.11 0.00 0.00 175.55 177.41 1i9b h SER 186 N 4.66 0.61 -0.88 2.29 4.64 -1.99 0.33 113.55 123.21 1i9b h SER 186 Ca -0.49 0.06 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1i9b h SER 186 Cb 1.18 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 1i9b h SER 186 CO 0.55 0.26 0.58 0.00 -0.87 0.00 0.00 176.83 177.35 1i9b h PRO 189 N 7.64 -0.01 0.00 0.00 0.11 -1.83 -3.25 132.00 134.66 1i9b h PRO 189 Ca -0.32 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.33 1i9b h PRO 189 Cb 1.16 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.40 1i9b h PRO 189 CO 0.48 -0.01 0.24 0.39 -0.21 0.00 0.00 178.00 178.90 1i9b n GLU 190 N -5.32 -0.62 -3.76 1.05 -0.58 -1.26 -4.92 120.64 105.22 1i9b n GLU 190 Ca 0.04 -2.50 -0.34 0.00 -0.42 0.00 0.00 57.16 53.95 1i9b n GLU 190 Cb 0.31 -0.97 -0.05 0.00 -0.57 0.00 0.00 31.44 30.15 1i9b n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i9b s ALA 191 N -3.51 3.86 -0.28 0.62 0.00 -1.26 -4.35 121.76 116.84 1i9b s ALA 191 Ca 0.71 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1i9b s ALA 191 Cb -0.03 -2.05 0.07 0.00 0.00 0.00 0.00 23.12 21.11 1i9b s ALA 191 CO 0.49 0.67 -0.03 0.71 0.00 0.00 0.00 175.76 177.59 1i9b s TYR 192 N -1.37 2.94 0.60 0.00 1.51 0.24 -0.77 117.35 120.50 1i9b s TYR 192 Ca 0.30 -2.24 -0.18 0.00 -1.01 0.00 0.00 57.07 53.94 1i9b s TYR 192 Cb -0.13 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1i9b s TYR 192 CO 0.18 -0.86 1.15 -1.21 -1.11 0.00 0.00 175.55 173.70 1i9b s GLU 193 N 1.20 2.99 -0.01 -0.62 2.02 -1.26 -2.71 118.70 120.32 1i9b s GLU 193 Ca -0.01 1.62 -0.29 0.00 0.02 0.00 0.00 54.97 56.31 1i9b s GLU 193 Cb -0.19 -1.96 0.08 0.00 0.10 0.00 0.00 34.13 32.16 1i9b s GLU 193 CO -0.08 -1.14 0.70 0.16 0.02 0.00 0.00 175.26 174.92 1i9b s ASP 194 N -1.98 -0.60 -0.21 -0.19 1.47 -1.03 -4.26 116.67 109.88 1i9b s ASP 194 Ca 0.72 0.49 -0.09 0.00 1.18 0.00 0.00 52.55 54.86 1i9b s ASP 194 Cb -0.25 0.52 -0.04 0.00 -0.34 0.00 0.00 42.92 42.81 1i9b s ASP 194 CO 0.34 -0.67 0.11 -0.69 0.68 0.00 0.00 175.17 174.95 1i9b s VAL 195 N -1.86 5.08 -0.23 2.11 1.01 -0.81 0.39 120.40 126.09 1i9b s VAL 195 Ca -0.07 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1i9b s VAL 195 Cb -0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1i9b s VAL 195 CO 0.03 0.40 0.11 -0.70 0.00 0.00 0.00 175.10 174.94 1i9b s GLU 196 N 0.73 3.88 -0.19 2.72 2.12 -0.95 -1.96 118.70 125.04 1i9b s GLU 196 Ca 0.06 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 1i9b s GLU 196 Cb -0.13 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 1i9b s GLU 196 CO 0.02 -0.01 -0.05 0.08 -0.54 0.00 0.00 175.26 174.76 1i9b s VAL 197 N 1.18 3.51 -0.27 3.70 1.01 -0.23 -1.04 120.40 128.26 1i9b s VAL 197 Ca 0.06 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1i9b s VAL 197 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1i9b s VAL 197 CO 0.04 0.45 0.15 -0.44 0.00 0.00 0.00 175.10 175.30 1i9b s SER 198 N 1.05 5.68 -0.50 3.32 0.01 0.43 -0.65 113.70 123.04 1i9b s SER 198 Ca 0.01 -0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.00 1i9b s SER 198 Cb -0.15 -2.04 0.11 0.00 0.21 0.00 0.00 66.02 64.15 1i9b s SER 198 CO 0.00 -0.06 0.42 -0.22 0.41 0.00 0.00 173.24 173.79 1i9b s LEU 199 N 1.70 5.85 -0.41 2.44 2.96 0.13 -2.68 118.68 128.67 1i9b s LEU 199 Ca 0.07 -1.69 -0.18 0.00 -0.22 0.00 0.00 54.13 52.11 1i9b s LEU 199 Cb -0.16 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.41 1i9b s LEU 199 CO 0.08 -0.74 0.48 0.21 -1.32 0.00 0.00 176.35 175.05 1i9b s ASN 200 N 3.03 6.23 0.29 3.68 2.47 -0.19 -1.20 114.94 129.25 1i9b s ASN 200 Ca 0.04 -0.54 0.04 0.00 0.42 0.00 0.00 52.86 52.81 1i9b s ASN 200 Cb -0.27 -2.24 -0.03 0.00 -1.45 0.00 0.00 41.25 37.26 1i9b s ASN 200 CO 0.03 -0.60 0.27 0.72 -3.72 0.00 0.00 177.10 173.80 1i9b s PHE 201 N 2.27 1.49 0.15 0.43 -0.71 -0.57 -0.55 117.98 120.49 1i9b s PHE 201 Ca 0.14 -1.53 -0.23 0.00 -1.04 0.00 0.00 56.93 54.27 1i9b s PHE 201 Cb -0.16 -0.59 0.07 0.00 -1.21 0.00 0.00 43.02 41.13 1i9b s PHE 201 CO 0.14 -0.84 0.62 -0.98 -1.34 0.00 0.00 175.22 172.83 1i9b s ARG 202 N -3.61 1.25 0.72 1.99 1.70 -0.66 -0.41 118.95 119.94 1i9b s ARG 202 Ca 0.39 -0.46 -0.13 0.00 -0.47 0.00 0.00 55.73 55.05 1i9b s ARG 202 Cb 0.03 0.57 0.03 0.00 -0.57 0.00 0.00 34.95 35.02 1i9b s ARG 202 CO 0.22 -0.55 1.12 0.21 -1.08 0.00 0.00 175.30 175.23 1i9b s LYS 203 N -3.71 2.40 -0.13 3.89 2.20 0.81 -1.39 119.74 123.80 1i9b s LYS 203 Ca 0.01 1.40 -0.29 0.00 -0.36 0.00 0.00 55.97 56.73 1i9b s LYS 203 Cb -0.01 -1.90 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 1i9b s LYS 203 CO -0.12 -1.57 1.50 0.15 -0.36 0.00 0.00 175.35 174.95 1i9b s LYS 204 N -4.34 4.11 0.00 4.03 1.02 -1.11 -4.75 119.74 118.70 1i9b s LYS 204 Ca 0.66 1.87 0.19 0.00 0.02 0.00 0.00 55.97 58.71 1i9b s LYS 204 Cb -0.21 -3.92 1.12 0.00 -0.52 0.00 0.00 37.83 34.30 1i9b s LYS 204 CO 0.47 -0.90 1.52 0.41 -0.92 0.00 0.00 175.35 175.93