#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2v s MET 58 N 0.00 -3.36 -0.12 -0.41 -2.45 -1.26 -4.19 119.30 107.50 3h2v s MET 58 Ca 0.00 0.13 0.17 0.00 -1.25 0.00 0.00 55.69 54.74 3h2v s MET 58 Cb 0.00 -1.33 0.29 0.00 1.25 0.00 0.00 34.83 35.05 3h2v s MET 58 CO 0.00 -5.16 1.17 2.89 1.05 0.00 0.00 175.02 174.97 3h2v n ARG 59 N -5.83 1.64 -4.11 4.11 1.85 -1.26 -4.32 116.66 108.73 3h2v n ARG 59 Ca 0.13 -2.51 -0.35 0.00 -1.00 0.00 0.00 57.85 54.13 3h2v n ARG 59 Cb 0.60 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.41 3h2v n ARG 59 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3h2v s LYS 60 N -2.69 3.78 0.25 2.89 1.02 -1.26 0.92 119.74 124.65 3h2v s LYS 60 Ca 0.30 -0.44 0.11 0.00 0.02 0.00 0.00 55.97 55.96 3h2v s LYS 60 Cb 0.26 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 3h2v s LYS 60 CO 0.04 0.16 -0.19 0.96 -0.92 0.00 0.00 175.35 175.40 3h2v s ILE 61 N 0.63 2.25 -0.06 2.17 -4.36 -0.60 -0.99 121.20 120.25 3h2v s ILE 61 Ca 0.01 -2.32 0.02 0.00 -0.26 0.00 0.00 60.65 58.09 3h2v s ILE 61 Cb -0.14 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.38 3h2v s ILE 61 CO 0.02 -0.44 -0.09 -0.22 0.24 0.00 0.00 174.94 174.45 3h2v s LEU 62 N -3.39 1.51 -0.19 0.37 2.96 0.21 -2.37 118.68 117.79 3h2v s LEU 62 Ca 0.27 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 3h2v s LEU 62 Cb -0.04 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 3h2v s LEU 62 CO 0.12 -0.00 0.07 -0.63 -1.32 0.00 0.00 176.35 174.58 3h2v s ILE 63 N 0.80 4.79 0.14 6.68 1.01 -0.59 -2.30 121.20 131.72 3h2v s ILE 63 Ca -0.13 -0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.58 3h2v s ILE 63 Cb -0.15 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 3h2v s ILE 63 CO 0.02 0.45 -0.21 -0.13 0.00 0.00 0.00 174.94 175.07 3h2v s ARG 64 N 0.44 1.28 0.00 2.79 0.52 -0.55 -0.88 118.95 122.55 3h2v s ARG 64 Ca 0.03 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 3h2v s ARG 64 Cb -0.12 -1.52 0.00 0.00 0.52 0.00 0.00 34.95 33.82 3h2v s ARG 64 CO 0.00 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.07 3h2v n GLY 65 N 0.66 0.81 3.74 -3.53 0.00 -1.05 -1.72 105.19 104.09 3h2v n GLY 65 Ca -0.16 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3h2v n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2v s LEU 66 N 0.00 3.16 0.83 0.99 1.43 -0.46 -4.59 118.68 120.04 3h2v s LEU 66 Ca 0.00 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 3h2v s LEU 66 Cb 0.00 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.76 3h2v s LEU 66 CO 0.00 -2.22 1.15 -2.84 0.23 0.00 0.00 176.35 172.68 3h2v s PRO 67 N -4.38 1.59 0.21 1.29 0.02 -1.26 -4.69 135.00 127.79 3h2v s PRO 67 Ca 0.67 1.54 -0.08 0.00 0.02 0.00 0.00 61.00 63.15 3h2v s PRO 67 Cb -0.22 -1.79 0.15 0.00 0.02 0.00 0.00 34.50 32.65 3h2v s PRO 67 CO 0.50 -2.20 1.77 0.78 -0.33 0.00 0.00 177.00 177.51 3h2v h GLY 68 N -1.25 1.24 -3.97 0.52 0.00 -1.94 -2.93 103.07 94.74 3h2v h GLY 68 Ca -0.45 -0.68 -0.54 0.00 0.00 0.00 0.00 47.33 45.66 3h2v h GLY 68 CO 0.46 0.64 0.69 2.09 0.00 0.00 0.00 176.54 180.43 3h2v n ASP 69 N -4.30 4.55 -4.77 0.19 5.75 -1.26 -4.89 116.55 111.82 3h2v n ASP 69 Ca 0.07 -3.62 -0.35 0.00 -0.01 0.00 0.00 54.79 50.88 3h2v n ASP 69 Cb 0.19 -0.87 0.03 0.00 -1.03 0.00 0.00 41.12 39.44 3h2v n ASP 69 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h2v s VAL 70 N -3.56 3.05 0.24 2.12 0.11 -1.11 -5.05 120.40 116.20 3h2v s VAL 70 Ca 0.58 0.59 0.11 0.00 -2.93 0.00 0.00 61.98 60.33 3h2v s VAL 70 Cb 0.48 -3.18 -0.05 0.00 -1.53 0.00 0.00 36.38 32.10 3h2v s VAL 70 CO 0.08 -0.20 -0.17 0.42 -3.33 0.00 0.00 175.10 171.91 3h2v s THR 71 N -1.92 2.69 0.16 5.04 -4.23 -1.26 -4.98 115.64 111.14 3h2v s THR 71 Ca 0.72 -2.13 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 3h2v s THR 71 Cb -0.24 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.26 3h2v s THR 71 CO 0.33 -0.28 1.74 0.78 -0.54 0.00 0.00 174.62 176.65 3h2v h ASN 72 N 2.55 0.08 -0.75 3.99 2.35 -1.97 -2.25 115.58 119.57 3h2v h ASN 72 Ca -0.43 0.05 0.14 0.00 -0.55 0.00 0.00 56.30 55.50 3h2v h ASN 72 Cb 1.24 0.05 -0.14 0.00 0.05 0.00 0.00 38.32 39.52 3h2v h ASN 72 CO 0.56 0.08 -0.29 -0.61 -1.65 0.00 0.00 177.43 175.52 3h2v h GLN 73 N 0.24 -0.06 -0.99 0.81 5.75 -1.99 0.59 115.11 119.46 3h2v h GLN 73 Ca 0.17 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.88 3h2v h GLN 73 Cb 0.17 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 28.64 3h2v h GLN 73 CO -0.20 -0.04 0.62 0.93 -2.65 0.00 0.00 178.83 177.48 3h2v h GLU 74 N -0.07 0.66 -0.27 1.69 5.08 -1.82 0.46 114.58 120.31 3h2v h GLU 74 Ca 0.32 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3h2v h GLU 74 Cb 0.57 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3h2v h GLU 74 CO -0.80 0.44 -0.07 0.28 -1.00 0.00 0.00 179.01 177.86 3h2v h VAL 75 N 0.68 1.28 -0.29 3.13 2.07 0.30 0.29 116.25 123.71 3h2v h VAL 75 Ca 0.57 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3h2v h VAL 75 Cb 1.00 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3h2v h VAL 75 CO -0.35 0.34 -0.03 0.45 0.02 0.00 0.00 177.57 178.01 3h2v h HIS 76 N 0.28 0.46 -0.15 1.57 3.86 -0.52 -1.76 115.15 118.88 3h2v h HIS 76 Ca 0.07 -0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 3h2v h HIS 76 Cb 0.54 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3h2v h HIS 76 CO 0.05 0.48 -0.46 -0.44 0.86 0.00 0.00 177.93 178.42 3h2v h ASP 77 N 0.43 0.67 0.08 2.45 3.32 0.10 -1.91 116.42 121.55 3h2v h ASP 77 Ca 0.09 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 56.56 3h2v h ASP 77 Cb 0.33 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 3h2v h ASP 77 CO 0.01 1.15 -0.51 0.25 -1.72 0.00 0.00 179.24 178.42 3h2v h LEU 78 N 0.23 -1.55 -3.94 1.55 5.85 0.02 -2.30 115.31 115.17 3h2v h LEU 78 Ca -0.01 0.17 -0.50 0.00 0.84 0.00 0.00 57.88 58.37 3h2v h LEU 78 Cb 1.08 0.58 -0.20 0.00 0.37 0.00 0.00 40.66 42.49 3h2v h LEU 78 CO 0.10 -0.53 0.61 0.18 -0.34 0.00 0.00 178.44 178.47 3h2v n LEU 79 N -5.34 6.95 0.24 2.25 4.77 -0.70 -4.53 117.00 120.64 3h2v n LEU 79 Ca -0.08 -3.86 0.17 0.00 -0.03 0.00 0.00 56.01 52.20 3h2v n LEU 79 Cb 0.39 -1.06 0.81 0.00 -2.33 0.00 0.00 43.42 41.23 3h2v n LEU 79 CO 0.14 1.43 0.99 0.77 -1.33 0.00 0.00 177.39 179.39 3h2v h SER 80 N 2.02 0.00 -0.17 -1.43 4.64 -0.74 -2.48 113.55 115.40 3h2v h SER 80 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3h2v h SER 80 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3h2v h SER 80 CO 1.10 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.53 3h2v n ASP 81 N -2.71 1.37 -4.38 4.97 10.43 -1.26 -4.92 116.55 120.04 3h2v n ASP 81 Ca -0.01 -1.73 -0.21 0.00 2.57 0.00 0.00 54.79 55.41 3h2v n ASP 81 Cb 0.14 -0.11 -0.10 0.00 1.84 0.00 0.00 41.12 42.89 3h2v n ASP 81 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3h2v s TYR 82 N -1.78 1.86 -0.50 1.24 2.02 -0.93 -5.11 117.35 114.13 3h2v s TYR 82 Ca 0.28 -1.05 -0.14 0.00 -0.37 0.00 0.00 57.07 55.79 3h2v s TYR 82 Cb 0.15 -1.19 0.11 0.00 -0.40 0.00 0.00 41.96 40.63 3h2v s TYR 82 CO 0.22 -0.10 0.43 -2.00 -1.57 0.00 0.00 175.55 172.53 3h2v s GLU 83 N -3.89 2.88 0.05 -0.62 2.12 -1.26 -5.04 118.70 112.94 3h2v s GLU 83 Ca 0.35 -1.60 -0.31 0.00 0.36 0.00 0.00 54.97 53.77 3h2v s GLU 83 Cb 0.08 -4.16 -0.06 0.00 0.26 0.00 0.00 34.13 30.25 3h2v s GLU 83 CO 0.15 -1.20 1.23 -0.51 -0.54 0.00 0.00 175.26 174.39 3h2v s LEU 84 N 1.56 4.36 -0.11 2.70 1.43 -1.26 -2.36 118.68 125.00 3h2v s LEU 84 Ca 0.04 2.03 0.09 0.00 -1.03 0.00 0.00 54.13 55.26 3h2v s LEU 84 Cb -0.27 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.24 3h2v s LEU 84 CO 0.03 -0.51 0.03 0.29 0.23 0.00 0.00 176.35 176.42 3h2v n LYS 85 N 4.13 2.16 -3.90 1.70 4.76 -0.28 -4.97 118.16 121.77 3h2v n LYS 85 Ca 0.10 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 3h2v n LYS 85 Cb 0.46 -1.27 -0.12 0.00 -1.84 0.00 0.00 35.03 32.26 3h2v n LYS 85 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3h2v s TYR 86 N -2.26 0.06 -0.29 2.13 5.04 -1.07 -4.95 117.35 116.01 3h2v s TYR 86 Ca -0.06 -0.12 0.04 0.00 -2.44 0.00 0.00 57.07 54.50 3h2v s TYR 86 Cb 0.03 -0.06 0.19 0.00 0.35 0.00 0.00 41.96 42.47 3h2v s TYR 86 CO 0.43 -0.13 0.54 0.00 -1.34 0.00 0.00 175.55 175.04 3h2v s PHE 88 N 2.75 3.18 -0.18 0.00 2.19 -0.08 -4.95 117.98 120.88 3h2v s PHE 88 Ca 0.10 -2.25 -0.17 0.00 0.33 0.00 0.00 56.93 54.94 3h2v s PHE 88 Cb -0.11 -1.90 -0.04 0.00 -1.31 0.00 0.00 43.02 39.66 3h2v s PHE 88 CO -0.27 -0.87 0.44 0.08 1.83 0.00 0.00 175.22 176.44 3h2v s VAL 89 N 1.13 5.17 -0.67 3.12 1.01 -1.26 -0.65 120.40 128.25 3h2v s VAL 89 Ca -0.08 0.81 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 3h2v s VAL 89 Cb -0.20 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.58 3h2v s VAL 89 CO -0.05 0.25 0.58 -0.62 0.00 0.00 0.00 175.10 175.25 3h2v s ASP 90 N 0.98 6.17 0.50 3.32 3.68 0.41 -4.93 116.67 126.80 3h2v s ASP 90 Ca 0.22 -2.40 0.16 0.00 2.13 0.00 0.00 52.55 52.66 3h2v s ASP 90 Cb -0.15 -2.11 1.20 0.00 -1.45 0.00 0.00 42.92 40.42 3h2v s ASP 90 CO 0.09 -0.61 2.10 0.11 0.13 0.00 0.00 175.17 176.98 3h2v h LYS 91 N 7.98 0.00 0.00 4.34 1.57 -1.92 0.66 116.57 129.20 3h2v h LYS 91 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3h2v h LYS 91 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3h2v h LYS 91 CO 0.82 0.06 0.00 -0.92 -0.57 0.00 0.00 179.45 178.84 3h2v h TYR 92 N 0.00 0.00 -0.00 -1.35 3.20 -1.91 -3.30 116.97 113.61 3h2v h TYR 92 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3h2v h TYR 92 Cb 0.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3h2v h TYR 92 CO 0.00 0.00 -0.24 1.63 -1.64 0.00 0.00 178.16 177.91 3h2v n LYS 93 N -2.99 5.05 -3.16 1.82 4.76 -0.42 -5.00 118.16 118.21 3h2v n LYS 93 Ca 0.03 -0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 3h2v n LYS 93 Cb 0.44 -0.76 0.05 0.00 -1.84 0.00 0.00 35.03 32.92 3h2v n LYS 93 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h2v n GLY 94 N 1.09 -0.48 3.07 0.72 0.00 0.22 -4.75 105.19 105.07 3h2v n GLY 94 Ca 0.01 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3h2v n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h2v s THR 95 N -3.21 0.98 0.11 2.61 -4.23 -1.15 -1.36 115.64 109.40 3h2v s THR 95 Ca 0.38 -0.51 0.09 0.00 -1.18 0.00 0.00 61.69 60.46 3h2v s THR 95 Cb -0.17 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 3h2v s THR 95 CO 0.47 0.28 -0.17 0.00 -0.54 0.00 0.00 174.62 174.66 3h2v s ALA 96 N -0.17 2.70 -0.36 3.99 0.00 -0.06 -0.44 121.76 127.42 3h2v s ALA 96 Ca 0.03 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.70 3h2v s ALA 96 Cb -0.06 -0.68 0.10 0.00 0.00 0.00 0.00 23.12 22.48 3h2v s ALA 96 CO -0.00 0.60 0.08 -0.06 0.00 0.00 0.00 175.76 176.38 3h2v s PHE 97 N -1.12 3.38 0.19 0.00 0.40 0.17 -1.55 117.98 119.45 3h2v s PHE 97 Ca 0.18 -2.84 0.05 0.00 -0.60 0.00 0.00 56.93 53.73 3h2v s PHE 97 Cb -0.11 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.66 3h2v s PHE 97 CO 0.10 -0.91 0.18 0.08 0.70 0.00 0.00 175.22 175.37 3h2v s VAL 98 N 0.86 4.62 -0.07 -0.44 1.01 -1.00 -0.90 120.40 124.48 3h2v s VAL 98 Ca 0.12 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 3h2v s VAL 98 Cb -0.20 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3h2v s VAL 98 CO -0.09 -0.19 -0.03 -0.89 0.00 0.00 0.00 175.10 173.89 3h2v s THR 99 N -1.88 0.57 0.51 3.92 2.01 -0.19 -1.55 115.64 119.03 3h2v s THR 99 Ca 0.32 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.35 3h2v s THR 99 Cb -0.09 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 71.82 3h2v s THR 99 CO 0.25 0.27 0.67 -0.76 -0.69 0.00 0.00 174.62 174.36 3h2v s LEU 100 N 1.49 3.30 0.20 4.42 1.43 0.26 -1.12 118.68 128.66 3h2v s LEU 100 Ca -0.02 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 3h2v s LEU 100 Cb -0.13 -2.01 0.20 0.00 0.03 0.00 0.00 46.19 44.29 3h2v s LEU 100 CO -0.03 -1.09 1.81 0.25 0.23 0.00 0.00 176.35 177.51 3h2v h LEU 101 N 0.41 0.51 0.00 1.79 5.85 -1.75 -3.44 115.31 118.68 3h2v h LEU 101 Ca -0.34 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3h2v h LEU 101 Cb 1.29 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3h2v h LEU 101 CO 0.44 0.34 0.07 -0.46 -0.34 0.00 0.00 178.44 178.49 3h2v n ASN 102 N -4.80 -0.76 -0.10 1.25 0.23 -1.26 -5.03 115.26 104.79 3h2v n ASN 102 Ca 0.07 -1.57 -0.06 0.00 -0.53 0.00 0.00 54.58 52.48 3h2v n ASN 102 Cb 0.15 1.27 0.01 0.00 -2.08 0.00 0.00 39.78 39.13 3h2v n ASN 102 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3h2v h GLY 103 N 0.69 0.41 1.01 4.83 0.00 -1.75 -2.57 103.07 105.69 3h2v h GLY 103 Ca -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3h2v h GLY 103 CO 0.15 0.00 0.39 -2.09 0.00 0.00 0.00 176.54 174.99 3h2v h GLU 104 N 0.22 1.05 -0.43 4.80 4.57 -1.88 -2.45 114.58 120.46 3h2v h GLU 104 Ca 0.16 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3h2v h GLU 104 Cb 0.16 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3h2v h GLU 104 CO -0.19 0.80 0.23 1.96 -1.18 0.00 0.00 179.01 180.63 3h2v h GLN 105 N 1.04 0.60 -0.17 1.92 4.20 -1.91 -0.29 115.11 120.49 3h2v h GLN 105 Ca 0.26 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.90 3h2v h GLN 105 Cb 0.06 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3h2v h GLN 105 CO -0.04 0.49 0.12 0.00 -0.67 0.00 0.00 178.83 178.72 3h2v h ALA 106 N 1.08 1.90 0.08 3.87 0.00 -1.27 0.04 119.26 124.96 3h2v h ALA 106 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h2v h ALA 106 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h2v h ALA 106 CO -0.02 0.08 -0.04 1.49 0.00 0.00 0.00 179.25 180.76 3h2v h GLU 107 N 0.21 -0.11 -0.85 0.00 4.57 -0.90 -2.05 114.58 115.45 3h2v h GLU 107 Ca 0.07 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3h2v h GLU 107 Cb 0.01 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3h2v h GLU 107 CO -0.01 0.43 0.51 0.00 -1.18 0.00 0.00 179.01 178.76 3h2v h ALA 108 N 0.00 1.29 0.26 2.92 0.00 -0.80 -0.20 119.26 122.74 3h2v h ALA 108 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3h2v h ALA 108 Cb 0.59 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h2v h ALA 108 CO 0.02 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.75 3h2v h ALA 109 N 1.38 -0.36 -0.28 0.00 0.00 -1.04 0.37 119.26 119.33 3h2v h ALA 109 Ca 0.31 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3h2v h ALA 109 Cb -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3h2v h ALA 109 CO -0.06 -0.67 -0.18 0.82 0.00 0.00 0.00 179.25 179.16 3h2v h ILE 110 N -0.41 0.49 -0.66 0.00 2.04 -1.04 0.25 117.51 118.17 3h2v h ILE 110 Ca -0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3h2v h ILE 110 Cb 0.32 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3h2v h ILE 110 CO 0.06 0.00 0.25 0.78 0.00 0.00 0.00 178.15 179.24 3h2v h ASN 111 N -0.15 0.93 0.11 1.72 2.35 -0.83 0.32 115.58 120.02 3h2v h ASN 111 Ca 0.15 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 3h2v h ASN 111 Cb 0.39 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3h2v h ASN 111 CO -0.38 0.86 -0.52 0.00 -1.65 0.00 0.00 177.43 175.74 3h2v h ALA 112 N 1.10 0.80 -0.00 -0.83 0.00 -0.72 -3.39 119.26 116.22 3h2v h ALA 112 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h2v h ALA 112 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h2v h ALA 112 CO -0.01 0.68 -0.07 1.19 0.00 0.00 0.00 179.25 181.03 3h2v n PHE 113 N -3.96 0.00 -2.64 0.00 3.72 0.06 -4.77 117.46 109.87 3h2v n PHE 113 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 3h2v n PHE 113 Cb 0.58 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.10 3h2v n PHE 113 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3h2v s HIS 114 N -0.76 3.37 0.00 1.38 2.46 0.11 -3.58 115.29 118.27 3h2v s HIS 114 Ca 0.04 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.05 3h2v s HIS 114 Cb 0.04 -3.26 0.00 0.00 -0.13 0.00 0.00 32.58 29.23 3h2v s HIS 114 CO 0.10 -0.50 0.00 1.04 -2.47 0.00 0.00 174.74 172.91 3h2v n GLN 115 N 5.70 0.00 -2.23 2.88 6.02 0.46 -4.90 117.38 125.30 3h2v n GLN 115 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.84 3h2v n GLN 115 Cb 0.47 -2.72 0.09 0.00 1.02 0.00 0.00 30.24 29.10 3h2v n GLN 115 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3h2v s SER 116 N -2.15 4.49 -0.12 1.08 1.04 -1.24 -4.65 113.70 112.15 3h2v s SER 116 Ca 0.00 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 3h2v s SER 116 Cb 0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 3h2v s SER 116 CO 0.00 -1.80 -0.06 -0.13 0.98 0.00 0.00 173.24 172.22 3h2v s ARG 117 N -5.32 3.29 -0.32 4.02 1.81 -1.26 -0.04 118.95 121.13 3h2v s ARG 117 Ca 0.63 -0.56 0.03 0.00 -1.72 0.00 0.00 55.73 54.11 3h2v s ARG 117 Cb -0.09 -2.75 0.09 0.00 -0.45 0.00 0.00 34.95 31.75 3h2v s ARG 117 CO 0.46 0.39 0.01 -1.17 -0.68 0.00 0.00 175.30 174.31 3h2v s LEU 118 N -0.08 4.36 -1.38 2.53 2.96 0.97 -4.70 118.68 123.35 3h2v s LEU 118 Ca 0.01 -1.86 -0.06 0.00 -0.22 0.00 0.00 54.13 52.00 3h2v s LEU 118 Cb -0.13 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.96 3h2v s LEU 118 CO 0.03 -0.33 0.89 0.54 -1.32 0.00 0.00 176.35 176.16 3h2v n ARG 119 N 4.36 -5.70 -0.98 1.98 1.74 -1.26 -1.09 116.66 115.71 3h2v n ARG 119 Ca -0.03 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3h2v n ARG 119 Cb 0.42 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 3h2v n ARG 119 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h2v n GLU 120 N -4.50 0.00 -4.81 5.56 -0.58 -1.26 -5.04 120.64 110.01 3h2v n GLU 120 Ca -0.14 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.27 3h2v n GLU 120 Cb 0.61 -2.89 -0.14 0.00 -0.57 0.00 0.00 31.44 28.45 3h2v n GLU 120 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3h2v s ARG 121 N -0.02 3.35 -0.05 3.49 1.81 -0.25 -5.07 118.95 122.20 3h2v s ARG 121 Ca 0.00 -0.70 -0.30 0.00 -1.72 0.00 0.00 55.73 53.01 3h2v s ARG 121 Cb 0.00 -2.61 -0.03 0.00 -0.45 0.00 0.00 34.95 31.86 3h2v s ARG 121 CO 0.00 0.22 1.19 -2.00 -0.68 0.00 0.00 175.30 174.03 3h2v s GLU 122 N 0.32 4.36 0.12 3.54 2.12 -1.26 -0.02 118.70 127.89 3h2v s GLU 122 Ca -0.11 1.66 -0.06 0.00 0.36 0.00 0.00 54.97 56.82 3h2v s GLU 122 Cb -0.16 -3.54 -0.06 0.00 0.26 0.00 0.00 34.13 30.63 3h2v s GLU 122 CO 0.06 -0.42 0.38 -0.51 -0.54 0.00 0.00 175.26 174.23 3h2v s LEU 123 N 2.11 4.29 -0.31 2.70 1.43 0.94 -4.61 118.68 125.22 3h2v s LEU 123 Ca 0.56 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 3h2v s LEU 123 Cb -0.25 -3.21 0.09 0.00 0.03 0.00 0.00 46.19 42.86 3h2v s LEU 123 CO 0.22 0.09 0.05 -0.94 0.23 0.00 0.00 176.35 176.00 3h2v s SER 124 N -2.21 4.34 -0.19 2.29 1.04 -0.70 0.17 113.70 118.45 3h2v s SER 124 Ca 0.38 -1.80 -0.09 0.00 0.48 0.00 0.00 55.95 54.92 3h2v s SER 124 Cb -0.13 -1.26 -0.05 0.00 0.10 0.00 0.00 66.02 64.69 3h2v s SER 124 CO 0.22 -0.37 0.10 -0.69 0.98 0.00 0.00 173.24 173.48 3h2v s VAL 125 N 1.26 5.11 0.13 5.02 1.01 -1.26 -1.49 120.40 130.17 3h2v s VAL 125 Ca 0.08 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 3h2v s VAL 125 Cb -0.18 -3.32 0.07 0.00 0.00 0.00 0.00 36.38 32.94 3h2v s VAL 125 CO -0.14 0.45 0.59 0.00 0.00 0.00 0.00 175.10 176.00 3h2v s GLN 126 N 0.38 1.23 0.25 2.72 -2.07 -0.97 -4.58 119.66 116.61 3h2v s GLN 126 Ca 0.06 -0.39 -0.31 0.00 -1.82 0.00 0.00 55.36 52.90 3h2v s GLN 126 Cb -0.12 0.57 -0.14 0.00 -1.09 0.00 0.00 33.01 32.23 3h2v s GLN 126 CO -0.01 -0.52 1.35 1.28 -1.32 0.00 0.00 175.29 176.07 3h2v n LEU 127 N -0.18 2.90 -4.67 2.60 4.77 -1.26 -0.62 117.00 120.54 3h2v n LEU 127 Ca -0.17 1.15 -0.51 0.00 -0.03 0.00 0.00 56.01 56.45 3h2v n LEU 127 Cb 0.64 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 3h2v n LEU 127 CO 0.14 -0.63 1.49 1.67 -1.33 0.00 0.00 177.39 178.73 3h2v n GLN 128 N 1.77 1.82 -1.46 3.23 7.27 -0.16 -4.61 117.38 125.24 3h2v n GLN 128 Ca 0.11 0.65 -0.57 0.00 0.07 0.00 0.00 57.00 57.26 3h2v n GLN 128 Cb 0.31 -2.51 -0.09 0.00 2.41 0.00 0.00 30.24 30.36 3h2v n GLN 128 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3h2v n PRO 129 N 6.54 0.59 0.00 3.69 -0.04 -1.26 -4.99 135.00 139.53 3h2v n PRO 129 Ca 0.25 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.98 3h2v n PRO 129 Cb 0.25 -1.94 0.07 0.00 -0.04 0.00 0.00 33.50 31.84 3h2v n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87