#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g s ARG 12 N 0.00 1.85 -0.03 1.64 3.52 -1.26 -4.98 118.95 119.69 3f1g s ARG 12 Ca 0.00 -0.14 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 3f1g s ARG 12 Cb 0.00 -2.03 -0.06 0.00 -1.56 0.00 0.00 34.95 31.30 3f1g s ARG 12 CO 0.00 -1.58 1.62 -0.65 -0.81 0.00 0.00 175.30 173.89 3f1g s GLN 13 N -5.49 4.19 -0.19 5.12 1.11 -1.26 -4.99 119.66 118.15 3f1g s GLN 13 Ca 0.63 2.18 -0.16 0.00 0.01 0.00 0.00 55.36 58.02 3f1g s GLN 13 Cb -0.10 -3.89 0.05 0.00 -1.01 0.00 0.00 33.01 28.07 3f1g s GLN 13 CO 0.48 -0.80 0.50 0.14 0.01 0.00 0.00 175.29 175.62 3f1g s VAL 14 N 3.68 -0.00 0.12 1.09 -7.23 -1.20 -5.04 120.40 111.82 3f1g s VAL 14 Ca 0.72 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.93 3f1g s VAL 14 Cb -0.34 -0.71 -0.21 0.00 0.56 0.00 0.00 36.38 35.68 3f1g s VAL 14 CO 0.29 0.01 1.27 0.00 -0.31 0.00 0.00 175.10 176.36 3f1g h ALA 15 N 5.74 0.33 -2.57 1.32 0.00 -1.83 -2.67 119.26 119.57 3f1g h ALA 15 Ca -0.29 -0.85 -0.53 0.00 0.00 0.00 0.00 54.91 53.24 3f1g h ALA 15 Cb 1.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3f1g h ALA 15 CO 0.20 1.08 0.08 0.45 0.00 0.00 0.00 179.25 181.06 3f1g s SER 16 N -6.90 7.07 0.00 0.00 0.15 -1.26 0.23 113.70 113.00 3f1g s SER 16 Ca -0.01 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.03 3f1g s SER 16 Cb 0.09 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 3f1g s SER 16 CO 0.84 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.97 3f1g n GLY 17 N 0.92 1.44 3.13 9.45 0.00 0.18 -4.36 105.19 115.95 3f1g n GLY 17 Ca -0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 3f1g n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1g s ARG 18 N 0.25 0.28 -0.22 1.61 0.52 -0.62 -1.56 118.95 119.20 3f1g s ARG 18 Ca 0.00 0.53 -0.04 0.00 -0.52 0.00 0.00 55.73 55.70 3f1g s ARG 18 Cb 0.00 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 3f1g s ARG 18 CO 0.00 -0.12 -0.04 0.00 0.02 0.00 0.00 175.30 175.16 3f1g s ALA 19 N 0.92 2.82 -0.09 2.13 0.00 0.21 0.32 121.76 128.07 3f1g s ALA 19 Ca -0.06 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 3f1g s ALA 19 Cb -0.07 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 3f1g s ALA 19 CO -0.06 -0.47 0.31 0.71 0.00 0.00 0.00 175.76 176.25 3f1g s TYR 20 N 1.47 3.60 -0.21 0.00 1.51 -0.60 -0.85 117.35 122.27 3f1g s TYR 20 Ca 0.05 0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 56.84 3f1g s TYR 20 Cb -0.14 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 3f1g s TYR 20 CO -0.03 0.50 -0.08 0.42 -1.11 0.00 0.00 175.55 175.25 3f1g s ILE 21 N -0.45 3.02 -0.42 2.71 1.09 0.52 -1.37 121.20 126.30 3f1g s ILE 21 Ca 0.19 -0.65 -0.08 0.00 -1.10 0.00 0.00 60.65 59.02 3f1g s ILE 21 Cb -0.14 -2.37 0.09 0.00 -1.06 0.00 0.00 42.46 38.97 3f1g s ILE 21 CO 0.08 0.43 0.24 -2.28 -0.10 0.00 0.00 174.94 173.31 3f1g s HIS 22 N 1.42 3.38 -0.40 3.97 2.46 0.57 -0.96 115.29 125.73 3f1g s HIS 22 Ca 0.05 -1.74 -0.09 0.00 0.47 0.00 0.00 55.06 53.75 3f1g s HIS 22 Cb -0.14 -3.02 0.07 0.00 -0.13 0.00 0.00 32.58 29.36 3f1g s HIS 22 CO -0.06 -0.89 0.23 0.00 -2.47 0.00 0.00 174.74 171.56 3f1g s ALA 23 N 1.36 3.25 0.58 1.58 0.00 0.63 -1.60 121.76 127.57 3f1g s ALA 23 Ca 0.04 -2.08 0.07 0.00 0.00 0.00 0.00 51.96 49.99 3f1g s ALA 23 Cb -0.23 -2.59 0.07 0.00 0.00 0.00 0.00 23.12 20.37 3f1g s ALA 23 CO 0.00 -1.59 0.56 -1.54 0.00 0.00 0.00 175.76 173.19 3f1g s SER 24 N 1.97 4.74 0.22 0.00 1.04 -0.28 -1.69 113.70 119.70 3f1g s SER 24 Ca 0.02 -1.17 0.24 0.00 0.48 0.00 0.00 55.95 55.52 3f1g s SER 24 Cb -0.22 0.54 0.26 0.00 0.10 0.00 0.00 66.02 66.70 3f1g s SER 24 CO 0.02 -1.28 1.32 1.88 0.98 0.00 0.00 173.24 176.17 3f1g h TYR 25 N 0.48 0.00 0.00 5.02 -1.99 -1.95 -3.32 116.97 115.21 3f1g h TYR 25 Ca -0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.40 3f1g h TYR 25 Cb 1.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.03 3f1g h TYR 25 CO 0.84 0.00 -1.51 0.09 -0.00 0.00 0.00 178.16 177.58 3f1g n ASN 26 N -2.52 0.40 -3.65 3.88 5.03 -1.26 -4.70 115.26 112.44 3f1g n ASN 26 Ca 0.02 -0.21 -0.00 0.00 0.87 0.00 0.00 54.58 55.26 3f1g n ASN 26 Cb 0.50 1.41 -0.01 0.00 -1.02 0.00 0.00 39.78 40.66 3f1g n ASN 26 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3f1g s ASN 27 N -4.17 -0.10 0.05 6.41 2.47 -1.25 -3.61 114.94 114.74 3f1g s ASN 27 Ca -0.02 -0.19 0.03 0.00 0.42 0.00 0.00 52.86 53.11 3f1g s ASN 27 Cb 0.14 0.25 -0.02 0.00 -1.45 0.00 0.00 41.25 40.16 3f1g s ASN 27 CO 0.87 -0.45 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.81 3f1g s THR 28 N -2.66 0.69 0.11 -5.21 2.01 -1.24 -1.12 115.64 108.21 3f1g s THR 28 Ca 0.13 -1.10 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 3f1g s THR 28 Cb 0.03 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.84 3f1g s THR 28 CO -0.03 -0.31 0.31 0.27 -0.69 0.00 0.00 174.62 174.17 3f1g s ILE 29 N -1.29 0.10 0.07 1.82 -4.36 -0.63 -2.51 121.20 114.40 3f1g s ILE 29 Ca -0.07 -0.82 -0.06 0.00 -0.26 0.00 0.00 60.65 59.43 3f1g s ILE 29 Cb -0.10 -1.23 -0.01 0.00 1.25 0.00 0.00 42.46 42.37 3f1g s ILE 29 CO 0.01 -0.46 0.11 0.68 0.24 0.00 0.00 174.94 175.52 3f1g s VAL 30 N -3.79 0.16 -0.24 8.37 -7.23 -0.39 -0.32 120.40 116.97 3f1g s VAL 30 Ca 0.04 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 58.77 3f1g s VAL 30 Cb 0.03 -1.30 0.10 0.00 0.56 0.00 0.00 36.38 35.77 3f1g s VAL 30 CO -0.11 -0.74 0.53 0.28 -0.31 0.00 0.00 175.10 174.75 3f1g s THR 31 N -3.60 -0.56 0.18 5.32 -1.32 -0.47 -1.20 115.64 113.99 3f1g s THR 31 Ca 0.03 0.08 -0.15 0.00 -1.21 0.00 0.00 61.69 60.44 3f1g s THR 31 Cb 0.04 -0.81 -0.07 0.00 -1.51 0.00 0.00 72.50 70.15 3f1g s THR 31 CO -0.09 0.03 0.61 0.27 -2.21 0.00 0.00 174.62 173.23 3f1g s ILE 32 N 2.37 4.77 0.27 5.08 -0.00 0.39 -1.56 121.20 132.52 3f1g s ILE 32 Ca -0.06 0.94 0.02 0.00 -0.00 0.00 0.00 60.65 61.55 3f1g s ILE 32 Cb -0.10 -3.75 -0.04 0.00 -0.00 0.00 0.00 42.46 38.56 3f1g s ILE 32 CO -0.16 0.19 0.14 0.28 -0.00 0.00 0.00 174.94 175.40 3f1g s THR 33 N -1.53 0.30 0.79 8.37 -1.32 0.15 -0.39 115.64 122.01 3f1g s THR 33 Ca 0.41 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.79 3f1g s THR 33 Cb -0.15 -2.54 0.09 0.00 -1.51 0.00 0.00 72.50 68.39 3f1g s THR 33 CO 0.20 0.00 1.13 1.51 -2.21 0.00 0.00 174.62 175.24 3f1g s ASP 34 N -3.32 4.42 0.57 8.08 3.84 -1.14 -1.59 116.67 127.52 3f1g s ASP 34 Ca 0.37 0.53 0.38 0.00 -0.00 0.00 0.00 52.55 53.83 3f1g s ASP 34 Cb 0.06 -1.01 2.02 0.00 -1.38 0.00 0.00 42.92 42.61 3f1g s ASP 34 CO 0.16 -1.90 2.16 -0.65 -0.00 0.00 0.00 175.17 174.94 3f1g h PRO 35 N -0.94 0.00 0.00 2.11 0.11 -1.89 -1.32 132.00 130.08 3f1g h PRO 35 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 3f1g h PRO 35 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 3f1g h PRO 35 CO 0.59 0.00 -0.98 -0.44 -0.21 0.00 0.00 178.00 176.95 3f1g h ASP 36 N 0.00 0.00 0.00 -2.05 3.45 -1.97 -3.48 116.42 112.37 3f1g h ASP 36 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3f1g h ASP 36 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3f1g h ASP 36 CO 0.00 0.41 0.00 0.61 -1.57 0.00 0.00 179.24 178.69 3f1g n GLY 37 N 1.29 1.49 3.37 2.75 0.00 -0.50 -5.09 105.19 108.49 3f1g n GLY 37 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 3f1g n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f1g s ASN 38 N -2.00 6.17 0.27 1.61 0.01 -1.26 -4.84 114.94 114.90 3f1g s ASN 38 Ca 0.00 -1.41 -0.28 0.00 -0.71 0.00 0.00 52.86 50.46 3f1g s ASN 38 Cb 0.00 -2.20 -0.15 0.00 0.41 0.00 0.00 41.25 39.31 3f1g s ASN 38 CO 0.00 -0.73 0.83 -2.65 -1.51 0.00 0.00 177.10 173.04 3f1g n PRO 39 N 5.33 0.89 -0.11 -0.60 -0.02 -1.26 -2.88 135.00 136.35 3f1g n PRO 39 Ca -0.12 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3f1g n PRO 39 Cb 0.43 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 3f1g n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3f1g n ILE 40 N 0.07 1.25 -3.59 4.25 2.08 0.48 -4.72 119.36 119.17 3f1g n ILE 40 Ca 0.12 -0.53 -0.09 0.00 0.56 0.00 0.00 62.75 62.81 3f1g n ILE 40 Cb 0.30 -1.14 -0.05 0.00 -0.75 0.00 0.00 39.64 38.00 3f1g n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3f1g s THR 41 N -2.44 0.00 0.28 1.39 2.01 -1.10 -5.04 115.64 110.74 3f1g s THR 41 Ca -0.26 0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.78 3f1g s THR 41 Cb 0.07 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3f1g s THR 41 CO 0.54 0.00 0.20 -1.66 -0.69 0.00 0.00 174.62 173.01 3f1g s TRP 42 N -1.10 1.52 0.13 4.92 1.48 -1.26 -0.46 118.94 124.17 3f1g s TRP 42 Ca -0.00 -1.49 -0.26 0.00 -1.06 0.00 0.00 56.10 53.29 3f1g s TRP 42 Cb -0.01 -0.70 0.07 0.00 -1.16 0.00 0.00 33.47 31.67 3f1g s TRP 42 CO 0.00 -0.70 1.01 0.45 -4.06 0.00 0.00 176.95 173.65 3f1g s SER 43 N -3.30 -0.16 0.11 -2.66 0.15 -0.34 -4.83 113.70 102.67 3f1g s SER 43 Ca 0.39 -0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 3f1g s SER 43 Cb 0.05 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 3f1g s SER 43 CO 0.20 -0.82 0.38 -1.54 1.20 0.00 0.00 173.24 172.66 3f1g n SER 44 N -0.48 -0.80 -0.11 5.45 3.41 -1.26 -1.26 113.62 118.57 3f1g n SER 44 Ca -0.06 -1.48 -0.10 0.00 -0.26 0.00 0.00 58.87 56.97 3f1g n SER 44 Cb 0.61 1.32 -0.02 0.00 -0.26 0.00 0.00 64.21 65.85 3f1g n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3f1g h GLY 45 N 0.80 0.54 1.09 5.00 0.00 -1.76 -2.75 103.07 105.99 3f1g h GLY 45 Ca -0.12 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3f1g h GLY 45 CO 0.16 0.29 -0.09 -1.33 0.00 0.00 0.00 176.54 175.57 3f1g h GLY 46 N 0.37 1.12 0.07 4.60 0.00 -1.89 -2.70 103.07 104.64 3f1g h GLY 46 Ca 0.10 -0.90 0.16 0.00 0.00 0.00 0.00 47.33 46.69 3f1g h GLY 46 CO -0.00 0.82 0.30 -2.08 0.00 0.00 0.00 176.54 175.58 3f1g h VAL 47 N 0.92 0.61 0.35 4.60 2.07 -1.83 -1.38 116.25 121.60 3f1g h VAL 47 Ca 0.14 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3f1g h VAL 47 Cb 0.66 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3f1g h VAL 47 CO 0.05 0.08 -0.17 0.40 0.02 0.00 0.00 177.57 177.94 3f1g h ILE 48 N 0.42 0.66 0.00 4.57 1.08 -1.29 -3.47 117.51 119.48 3f1g h ILE 48 Ca 0.44 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.87 3f1g h ILE 48 Cb 0.70 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 3f1g h ILE 48 CO -0.44 0.01 0.00 0.61 -0.69 0.00 0.00 178.15 177.64 3f1g n GLY 49 N -1.23 -0.18 3.99 5.37 0.00 -0.52 -5.13 105.19 107.49 3f1g n GLY 49 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 3f1g n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1g s TYR 50 N 0.00 2.95 -0.01 1.61 1.51 -1.04 -4.99 117.35 117.37 3f1g s TYR 50 Ca 0.00 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 3f1g s TYR 50 Cb 0.00 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 3f1g s TYR 50 CO 0.00 -0.41 0.15 0.15 -1.11 0.00 0.00 175.55 174.33 3f1g s LYS 51 N -4.42 0.45 4.44 -0.62 1.02 -1.26 -4.05 119.74 115.30 3f1g s LYS 51 Ca 0.52 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.23 3f1g s LYS 51 Cb -0.10 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 3f1g s LYS 51 CO 0.34 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 3f1g n GLY 52 N 1.70 0.69 0.09 -3.33 0.00 -1.26 -3.30 105.19 99.77 3f1g n GLY 52 Ca -0.21 0.57 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 3f1g n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3f1g h SER 53 N 0.00 -0.08 -0.93 1.61 0.02 -1.98 -3.33 113.55 108.86 3f1g h SER 53 Ca 0.00 -0.33 0.37 0.00 -0.84 0.00 0.00 61.79 60.99 3f1g h SER 53 Cb 0.00 0.02 -0.17 0.00 0.14 0.00 0.00 62.40 62.39 3f1g h SER 53 CO 0.00 0.55 0.43 0.54 -1.14 0.00 0.00 176.83 177.21 3f1g n ARG 54 N -4.80 -0.06 -0.32 3.45 5.12 -1.21 0.44 116.66 119.28 3f1g n ARG 54 Ca -0.05 1.30 0.13 0.00 -1.93 0.00 0.00 57.85 57.30 3f1g n ARG 54 Cb 0.20 -2.29 0.31 0.00 -1.16 0.00 0.00 32.46 29.51 3f1g n ARG 54 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3f1g h LYS 55 N 0.00 0.56 0.00 5.56 1.57 -1.75 0.61 116.57 123.11 3f1g h LYS 55 Ca 0.76 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 3f1g h LYS 55 Cb 1.95 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.13 3f1g h LYS 55 CO -0.74 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 178.92 3f1g n GLY 56 N -1.33 -0.86 3.79 3.86 0.00 0.17 -3.73 105.19 107.09 3f1g n GLY 56 Ca 0.22 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3f1g n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f1g s THR 57 N -2.00 3.72 0.19 2.61 2.01 0.21 -4.34 115.64 118.04 3f1g s THR 57 Ca 0.23 1.12 -0.12 0.00 0.31 0.00 0.00 61.69 63.23 3f1g s THR 57 Cb 0.10 -3.48 0.11 0.00 0.01 0.00 0.00 72.50 69.24 3f1g s THR 57 CO 0.17 -0.18 1.85 1.55 -0.69 0.00 0.00 174.62 177.32 3f1g h PRO 58 N 1.72 0.85 -0.39 4.92 0.13 -1.79 -0.91 132.00 136.54 3f1g h PRO 58 Ca -0.49 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 3f1g h PRO 58 Cb 1.22 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 3f1g h PRO 58 CO 0.59 0.58 0.07 -0.92 -0.23 0.00 0.00 178.00 178.09 3f1g h TYR 59 N 0.87 0.68 -0.65 1.56 3.20 -1.92 0.43 116.97 121.14 3f1g h TYR 59 Ca 0.23 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3f1g h TYR 59 Cb -0.08 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3f1g h TYR 59 CO -0.03 0.67 0.39 0.00 -1.64 0.00 0.00 178.16 177.55 3f1g h ALA 60 N 0.93 1.45 -0.51 1.82 0.00 -1.78 -0.30 119.26 120.87 3f1g h ALA 60 Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3f1g h ALA 60 Cb 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3f1g h ALA 60 CO 0.01 0.47 -0.13 0.00 0.00 0.00 0.00 179.25 179.60 3f1g h ALA 61 N 1.53 0.81 0.10 0.00 0.00 -0.75 -2.73 119.26 118.22 3f1g h ALA 61 Ca 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3f1g h ALA 61 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3f1g h ALA 61 CO -0.04 0.66 -0.19 0.37 0.00 0.00 0.00 179.25 180.04 3f1g h GLN 62 N 0.86 -0.31 -0.84 0.00 4.15 0.15 -0.88 115.11 118.25 3f1g h GLN 62 Ca 0.13 0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.78 3f1g h GLN 62 Cb 0.68 0.07 -0.13 0.00 0.21 0.00 0.00 27.48 28.30 3f1g h GLN 62 CO 0.05 -0.20 0.19 -0.07 -1.93 0.00 0.00 178.83 176.86 3f1g h LEU 63 N -0.32 -0.05 -0.32 -2.39 3.38 -1.31 -0.22 115.31 114.08 3f1g h LEU 63 Ca -0.01 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3f1g h LEU 63 Cb 0.30 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3f1g h LEU 63 CO -0.08 -0.13 0.20 0.00 0.09 0.00 0.00 178.44 178.52 3f1g h ALA 64 N 1.74 0.41 -0.91 1.53 0.00 -1.15 -0.22 119.26 120.66 3f1g h ALA 64 Ca 0.50 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.47 3f1g h ALA 64 Cb 0.97 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3f1g h ALA 64 CO -0.63 -0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.07 3f1g h ALA 65 N 1.08 1.34 0.56 0.00 0.00 0.40 0.46 119.26 123.09 3f1g h ALA 65 Ca 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3f1g h ALA 65 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3f1g h ALA 65 CO -0.02 0.16 -0.27 -0.07 0.00 0.00 0.00 179.25 179.05 3f1g h LEU 66 N 0.89 -0.64 -1.13 0.00 3.38 -1.04 -1.75 115.31 115.03 3f1g h LEU 66 Ca 0.45 0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.82 3f1g h LEU 66 Cb 0.42 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 3f1g h LEU 66 CO -0.26 -0.23 0.64 -0.78 0.09 0.00 0.00 178.44 177.90 3f1g h ASP 67 N -1.20 0.39 0.02 -0.43 1.82 -0.81 0.54 116.42 116.74 3f1g h ASP 67 Ca -0.08 0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3f1g h ASP 67 Cb 0.58 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.75 3f1g h ASP 67 CO 0.13 -0.22 -0.01 0.00 -1.61 0.00 0.00 179.24 177.53 3f1g h ALA 68 N 1.81 -0.02 -0.15 -0.78 0.00 -0.75 -2.22 119.26 117.14 3f1g h ALA 68 Ca 0.78 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 55.32 3f1g h ALA 68 Cb 2.07 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.88 3f1g h ALA 68 CO -0.58 -0.36 -0.77 0.00 0.00 0.00 0.00 179.25 177.54 3f1g h ALA 69 N 0.65 0.30 -0.18 0.00 0.00 0.32 -2.43 119.26 117.91 3f1g h ALA 69 Ca -0.00 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.34 3f1g h ALA 69 Cb 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3f1g h ALA 69 CO 0.00 0.66 -0.36 -0.22 0.00 0.00 0.00 179.25 179.33 3f1g h LYS 70 N 0.52 -0.31 -1.05 0.00 3.64 -0.16 0.42 116.57 119.62 3f1g h LYS 70 Ca -0.05 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.63 3f1g h LYS 70 Cb 1.40 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 33.18 3f1g h LYS 70 CO 0.16 -0.21 0.66 0.87 -2.27 0.00 0.00 179.45 178.66 3f1g h LYS 71 N -0.32 0.40 -0.14 1.90 1.57 -1.42 -2.35 116.57 116.21 3f1g h LYS 71 Ca 0.03 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3f1g h LYS 71 Cb 0.42 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3f1g h LYS 71 CO -0.34 0.27 -0.25 0.00 -0.57 0.00 0.00 179.45 178.55 3f1g h ALA 72 N 1.67 0.21 -0.25 3.86 0.00 0.03 -2.98 119.26 121.81 3f1g h ALA 72 Ca 0.64 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3f1g h ALA 72 Cb 1.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3f1g h ALA 72 CO -0.38 0.20 0.17 0.52 0.00 0.00 0.00 179.25 179.76 3f1g h MET 73 N 0.01 0.08 -0.70 0.00 2.86 0.17 -0.37 114.93 116.98 3f1g h MET 73 Ca 0.01 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3f1g h MET 73 Cb 0.84 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 3f1g h MET 73 CO 0.06 0.05 0.38 0.00 1.06 0.00 0.00 176.91 178.46 3f1g h ALA 74 N 1.87 0.96 0.00 6.32 0.00 -1.36 0.37 119.26 127.41 3f1g h ALA 74 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3f1g h ALA 74 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3f1g h ALA 74 CO -0.01 0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.93 3f1g n TYR 75 N -4.81 0.00 -0.40 0.00 4.02 -0.17 -4.79 117.16 111.01 3f1g n TYR 75 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3f1g n TYR 75 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3f1g n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f1g n GLY 76 N 0.26 0.72 3.73 2.72 0.00 0.13 -3.22 105.19 109.52 3f1g n GLY 76 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3f1g n GLY 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3f1g n MET 77 N -2.00 2.09 0.08 1.61 0.00 -1.01 -2.96 117.12 114.94 3f1g n MET 77 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 57.70 58.44 3f1g n MET 77 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 33.22 30.74 3f1g n MET 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3f1g n GLN 78 N 0.01 0.00 -3.45 2.12 6.02 0.62 -4.23 117.38 118.48 3f1g n GLN 78 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.67 3f1g n GLN 78 Cb 0.40 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.57 3f1g n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3f1g s SER 79 N -4.01 6.30 -0.04 1.08 0.15 0.15 0.16 113.70 117.49 3f1g s SER 79 Ca 0.00 0.34 0.02 0.00 0.70 0.00 0.00 55.95 57.01 3f1g s SER 79 Cb 0.00 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 3f1g s SER 79 CO 0.00 -0.08 -0.07 0.68 1.20 0.00 0.00 173.24 174.97 3f1g s VAL 80 N 1.53 0.66 0.08 4.45 -7.23 0.84 0.50 120.40 121.23 3f1g s VAL 80 Ca 0.15 -0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 59.89 3f1g s VAL 80 Cb -0.15 -0.63 -0.07 0.00 0.56 0.00 0.00 36.38 36.09 3f1g s VAL 80 CO 0.08 0.23 0.57 -1.81 -0.31 0.00 0.00 175.10 173.87 3f1g s ASP 81 N 0.60 7.05 -0.06 4.85 1.11 -0.60 -2.25 116.67 127.36 3f1g s ASP 81 Ca -0.09 1.26 0.01 0.00 0.18 0.00 0.00 52.55 53.91 3f1g s ASP 81 Cb -0.12 -2.36 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 3f1g s ASP 81 CO 0.01 0.26 -0.06 -0.69 1.18 0.00 0.00 175.17 175.87 3f1g s VAL 82 N -1.14 3.78 -0.10 -1.27 1.01 0.22 0.63 120.40 123.54 3f1g s VAL 82 Ca 0.30 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 3f1g s VAL 82 Cb -0.19 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.66 3f1g s VAL 82 CO 0.19 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.25 3f1g s ILE 83 N -0.85 0.31 0.14 2.22 1.01 -0.03 -0.63 121.20 123.38 3f1g s ILE 83 Ca 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.79 3f1g s ILE 83 Cb -0.11 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 3f1g s ILE 83 CO 0.02 0.10 0.27 0.68 0.00 0.00 0.00 174.94 176.02 3f1g s VAL 84 N 1.98 5.29 -0.24 2.92 -7.23 0.16 -0.35 120.40 122.93 3f1g s VAL 84 Ca 0.03 -0.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.46 3f1g s VAL 84 Cb -0.14 -3.71 0.11 0.00 0.56 0.00 0.00 36.38 33.21 3f1g s VAL 84 CO -0.06 -0.07 0.50 -0.13 -0.31 0.00 0.00 175.10 175.02 3f1g s ARG 85 N -3.16 0.42 0.00 4.82 0.52 -0.13 -1.46 118.95 119.95 3f1g s ARG 85 Ca 0.34 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 3f1g s ARG 85 Cb -0.11 0.43 0.00 0.00 0.52 0.00 0.00 34.95 35.78 3f1g s ARG 85 CO 0.28 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.71 3f1g n GLY 86 N 5.41 0.64 0.27 -3.53 0.00 -1.26 -0.27 105.19 106.46 3f1g n GLY 86 Ca -0.08 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.79 3f1g n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3f1g n THR 87 N 2.59 0.00 -1.33 2.61 -1.04 -0.68 -4.87 114.28 111.56 3f1g n THR 87 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3f1g n THR 87 Cb 0.00 0.38 0.09 0.00 -1.82 0.00 0.00 70.33 68.98 3f1g n THR 87 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3f1g s GLY 88 N -0.29 1.78 0.00 3.41 0.00 -1.15 -4.85 107.32 106.21 3f1g s GLY 88 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.06 3f1g s GLY 88 CO 0.00 0.69 0.54 0.00 0.00 0.00 0.00 173.10 174.33 3f1g n ALA 89 N -3.34 2.04 0.00 3.20 0.00 -1.26 -0.67 120.51 120.49 3f1g n ALA 89 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3f1g n ALA 89 Cb 0.53 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3f1g n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1g n GLY 90 N 0.76 0.94 0.21 0.00 0.00 -1.26 -2.50 105.19 103.33 3f1g n GLY 90 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3f1g n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1g n ARG 91 N -0.43 -0.22 0.05 1.61 0.63 0.16 -0.63 116.66 117.82 3f1g n ARG 91 Ca 0.00 1.24 -0.09 0.00 -0.92 0.00 0.00 57.85 58.08 3f1g n ARG 91 Cb 0.00 -1.84 0.05 0.00 0.45 0.00 0.00 32.46 31.11 3f1g n ARG 91 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3f1g h GLU 92 N 0.00 0.39 -0.24 -0.14 -0.00 -1.91 -3.26 114.58 109.43 3f1g h GLU 92 Ca 0.08 -0.30 0.01 0.00 -0.00 0.00 0.00 59.36 59.15 3f1g h GLU 92 Cb 0.20 0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 28.99 3f1g h GLU 92 CO -0.46 0.94 0.13 1.96 -0.00 0.00 0.00 179.01 181.57 3f1g h GLN 93 N 0.28 0.26 -0.56 1.06 1.08 -1.67 0.81 115.11 116.37 3f1g h GLN 93 Ca -0.02 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.27 3f1g h GLN 93 Cb 1.25 -0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 28.53 3f1g h GLN 93 CO 0.12 0.17 0.02 0.00 -0.95 0.00 0.00 178.83 178.19 3f1g h ALA 94 N 1.11 0.57 0.33 3.87 0.00 -0.93 0.40 119.26 124.60 3f1g h ALA 94 Ca 0.09 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3f1g h ALA 94 Cb 0.01 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3f1g h ALA 94 CO -0.05 -0.38 -0.47 0.82 0.00 0.00 0.00 179.25 179.17 3f1g h ILE 95 N 0.14 0.07 -0.65 0.00 2.04 -1.42 -0.87 117.51 116.82 3f1g h ILE 95 Ca 0.29 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.29 3f1g h ILE 95 Cb 0.45 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.50 3f1g h ILE 95 CO -0.46 0.00 0.06 0.03 0.00 0.00 0.00 178.15 177.77 3f1g h ARG 96 N -0.85 0.16 -0.55 2.37 2.47 0.87 0.10 114.38 118.95 3f1g h ARG 96 Ca -0.03 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3f1g h ARG 96 Cb 0.79 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.04 3f1g h ARG 96 CO -0.15 0.11 0.33 0.00 0.56 0.00 0.00 179.97 180.82 3f1g h ALA 97 N 1.57 0.71 0.00 0.04 0.00 -0.07 0.36 119.26 121.88 3f1g h ALA 97 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3f1g h ALA 97 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3f1g h ALA 97 CO -0.52 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.05 3f1g n LEU 98 N -4.78 0.00 0.00 0.00 4.77 0.33 -1.71 117.00 115.61 3f1g n LEU 98 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3f1g n LEU 98 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3f1g n LEU 98 CO 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.38 3f1g n GLN 99 N -0.95 0.00 0.00 3.23 1.13 0.12 -4.30 117.38 116.61 3f1g n GLN 99 Ca 0.01 0.14 0.01 0.00 -1.94 0.00 0.00 57.00 55.22 3f1g n GLN 99 Cb 0.00 -0.53 0.04 0.00 0.11 0.00 0.00 30.24 29.87 3f1g n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f1g n ALA 100 N -1.56 1.57 0.26 -1.58 0.00 -1.13 -2.37 120.51 115.70 3f1g n ALA 100 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.53 3f1g n ALA 100 Cb 0.00 -1.02 0.70 0.00 0.00 0.00 0.00 19.45 19.12 3f1g n ALA 100 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f1g h SER 101 N 0.00 0.00 0.00 0.00 4.64 -1.52 -3.46 113.55 113.22 3f1g h SER 101 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f1g h SER 101 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3f1g h SER 101 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3f1g n GLY 102 N -1.34 0.67 3.89 -0.77 0.00 -1.00 -4.84 105.19 101.80 3f1g n GLY 102 Ca -0.03 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3f1g n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1g s LEU 103 N 0.00 4.35 -0.42 0.99 2.01 -1.26 -4.97 118.68 119.38 3f1g s LEU 103 Ca 0.00 0.53 -0.28 0.00 0.01 0.00 0.00 54.13 54.39 3f1g s LEU 103 Cb 0.00 -2.82 -0.00 0.00 0.01 0.00 0.00 46.19 43.38 3f1g s LEU 103 CO 0.00 0.21 1.60 -1.58 1.01 0.00 0.00 176.35 177.59 3f1g s GLN 104 N -2.00 3.35 0.00 1.70 2.00 0.41 -4.86 119.66 120.27 3f1g s GLN 104 Ca 0.31 1.01 0.00 0.00 -2.00 0.00 0.00 55.36 54.68 3f1g s GLN 104 Cb -0.13 -4.14 0.00 0.00 0.80 0.00 0.00 33.01 29.54 3f1g s GLN 104 CO 0.19 -1.85 1.31 1.33 -0.50 0.00 0.00 175.29 175.77 3f1g n VAL 105 N 7.19 1.31 0.00 1.34 0.24 -1.26 -0.11 118.33 127.04 3f1g n VAL 105 Ca 0.19 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3f1g n VAL 105 Cb 0.48 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 3f1g n VAL 105 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3f1g n LYS 106 N 1.07 0.00 -3.66 7.34 4.81 -0.95 -4.36 118.16 122.41 3f1g n LYS 106 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3f1g n LYS 106 Cb 0.43 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.40 3f1g n LYS 106 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3f1g s SER 107 N -1.01 -0.73 -0.04 3.14 1.04 -1.25 -5.02 113.70 109.83 3f1g s SER 107 Ca 0.00 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 57.68 3f1g s SER 107 Cb 0.00 1.24 -0.04 0.00 0.10 0.00 0.00 66.02 67.32 3f1g s SER 107 CO 0.00 -0.22 0.18 -0.63 0.98 0.00 0.00 173.24 173.55 3f1g s ILE 108 N 0.93 5.44 -0.13 -1.02 1.01 -1.26 0.73 121.20 126.90 3f1g s ILE 108 Ca -0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 3f1g s ILE 108 Cb -0.05 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 38.96 3f1g s ILE 108 CO -0.08 0.41 0.32 -0.69 0.00 0.00 0.00 174.94 174.90 3f1g s VAL 109 N -1.24 -0.02 -0.16 2.92 1.01 0.20 -4.93 120.40 118.17 3f1g s VAL 109 Ca 0.24 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 3f1g s VAL 109 Cb -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3f1g s VAL 109 CO 0.15 0.04 0.53 -0.62 0.00 0.00 0.00 175.10 175.19 3f1g s ASP 110 N 1.03 6.66 -0.32 3.32 2.15 -1.26 -0.66 116.67 127.58 3f1g s ASP 110 Ca -0.07 0.79 0.16 0.00 0.43 0.00 0.00 52.55 53.86 3f1g s ASP 110 Cb -0.08 -2.31 0.47 0.00 -0.30 0.00 0.00 42.92 40.71 3f1g s ASP 110 CO -0.08 -0.11 1.05 -0.67 -0.17 0.00 0.00 175.17 175.19 3f1g n ASP 111 N 4.27 2.45 -4.64 -0.34 4.64 -0.54 -4.93 116.55 117.46 3f1g n ASP 111 Ca -0.05 -2.82 -0.42 0.00 -1.38 0.00 0.00 54.79 50.11 3f1g n ASP 111 Cb 0.51 -0.48 -0.03 0.00 -1.04 0.00 0.00 41.12 40.08 3f1g n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3f1g s THR 112 N -3.90 3.29 0.57 5.18 2.01 -1.23 -4.79 115.64 116.76 3f1g s THR 112 Ca 0.33 0.33 -0.19 0.00 0.31 0.00 0.00 61.69 62.47 3f1g s THR 112 Cb 0.41 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 3f1g s THR 112 CO -0.02 -0.08 0.93 -0.81 -0.69 0.00 0.00 174.62 173.95 3f1g n PRO 113 N 7.71 0.96 -3.64 4.92 -0.04 -1.26 -4.99 135.00 138.65 3f1g n PRO 113 Ca 0.21 0.36 -0.04 0.00 -0.04 0.00 0.00 63.50 64.00 3f1g n PRO 113 Cb 0.43 -2.11 -0.07 0.00 -0.04 0.00 0.00 33.50 31.72 3f1g n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3f1g s VAL 114 N -1.49 0.00 0.73 0.52 0.11 -1.26 -5.02 120.40 113.99 3f1g s VAL 114 Ca 0.73 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.66 3f1g s VAL 114 Cb -0.44 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 3f1g s VAL 114 CO 0.50 0.00 1.10 -2.16 -3.33 0.00 0.00 175.10 171.21 3f1g s PRO 115 N 1.04 2.62 -0.61 1.54 0.04 -1.26 -4.94 135.00 133.43 3f1g s PRO 115 Ca -0.06 0.49 -0.03 0.00 0.04 0.00 0.00 61.00 61.44 3f1g s PRO 115 Cb -0.04 -1.99 0.19 0.00 0.04 0.00 0.00 34.50 32.70 3f1g s PRO 115 CO -0.13 -1.21 2.43 0.72 0.04 0.00 0.00 177.00 178.85 3f1g n HIS 116 N -3.13 2.18 -2.74 0.56 8.25 -1.26 -4.90 115.22 114.19 3f1g n HIS 116 Ca 0.07 -2.13 -0.04 0.00 -0.26 0.00 0.00 57.72 55.36 3f1g n HIS 116 Cb 0.57 -1.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.35 3f1g n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3f1g n ASN 117 N 0.24 -2.36 0.12 0.41 5.03 -1.26 -5.03 115.26 112.41 3f1g n ASN 117 Ca 0.51 1.25 0.00 0.00 0.87 0.00 0.00 54.58 57.20 3f1g n ASN 117 Cb 0.44 -4.28 0.00 0.00 -1.02 0.00 0.00 39.78 34.92 3f1g n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3f1g n GLY 118 N 1.93 -0.88 3.67 7.41 0.00 -1.26 -5.09 105.19 110.96 3f1g n GLY 118 Ca -0.31 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3f1g n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g s ARG 120 N 1.87 4.16 1.01 0.00 3.52 -1.26 -4.97 118.95 123.28 3f1g s ARG 120 Ca 0.34 2.42 -0.14 0.00 -0.13 0.00 0.00 55.73 58.23 3f1g s ARG 120 Cb -0.16 -3.95 0.19 0.00 -1.56 0.00 0.00 34.95 29.46 3f1g s ARG 120 CO 0.12 -0.87 1.12 -2.14 -0.81 0.00 0.00 175.30 172.72 3f1g s PRO 121 N 3.85 0.35 0.65 5.12 0.02 -1.26 -5.01 135.00 138.72 3f1g s PRO 121 Ca 0.80 0.28 -0.17 0.00 0.02 0.00 0.00 61.00 61.93 3f1g s PRO 121 Cb -0.39 -1.75 -0.00 0.00 0.02 0.00 0.00 34.50 32.37 3f1g s PRO 121 CO 0.35 -2.73 1.20 0.21 -0.33 0.00 0.00 177.00 175.71 3f1g s LYS 122 N -5.20 2.63 0.59 5.54 2.20 -1.26 -4.84 119.74 119.41 3f1g s LYS 122 Ca 0.66 1.78 0.29 0.00 -0.36 0.00 0.00 55.97 58.34 3f1g s LYS 122 Cb -0.15 -1.89 1.37 0.00 -1.51 0.00 0.00 37.83 35.65 3f1g s LYS 122 CO 0.56 -1.46 1.77 -0.22 -0.36 0.00 0.00 175.35 175.63 3f1g h LYS 123 N 0.36 0.00 -0.00 4.03 3.11 -2.05 -3.57 116.57 118.45 3f1g h LYS 123 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3f1g h LYS 123 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 3f1g h LYS 123 CO 0.53 0.00 0.00 1.17 -2.81 0.00 0.00 179.45 178.34