#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l1f s GLU 63 N 0.00 0.01 -0.16 -1.46 2.12 0.42 -4.99 118.70 114.63 3l1f s GLU 63 Ca 0.00 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.53 3l1f s GLU 63 Cb 0.00 -0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.24 3l1f s GLU 63 CO 0.00 -0.12 -0.19 0.08 -0.54 0.00 0.00 175.26 174.49 3l1f s VAL 64 N 0.80 2.25 -0.03 3.70 1.01 -1.26 -0.06 120.40 126.80 3l1f s VAL 64 Ca -0.07 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.08 3l1f s VAL 64 Cb -0.09 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3l1f s VAL 64 CO -0.03 0.53 -0.21 -0.13 0.00 0.00 0.00 175.10 175.26 3l1f s ARG 65 N 1.05 1.90 -0.09 2.72 1.81 0.30 -5.00 118.95 121.63 3l1f s ARG 65 Ca -0.01 -0.77 -0.03 0.00 -1.72 0.00 0.00 55.73 53.20 3l1f s ARG 65 Cb -0.14 -1.75 0.05 0.00 -0.45 0.00 0.00 34.95 32.65 3l1f s ARG 65 CO -0.06 0.41 0.13 0.45 -0.68 0.00 0.00 175.30 175.55 3l1f s SER 66 N -0.34 1.08 0.20 0.23 0.15 -1.26 -0.55 113.70 113.20 3l1f s SER 66 Ca 0.04 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.81 3l1f s SER 66 Cb -0.10 0.13 -0.00 0.00 -1.71 0.00 0.00 66.02 64.34 3l1f s SER 66 CO 0.01 -0.27 0.02 -0.90 1.20 0.00 0.00 173.24 173.30 3l1f n ASP 67 N 5.31 2.10 0.27 5.45 5.68 -0.46 -5.02 116.55 129.88 3l1f n ASP 67 Ca -0.05 -1.92 0.13 0.00 -0.50 0.00 0.00 54.79 52.45 3l1f n ASP 67 Cb 0.50 0.24 0.74 0.00 -1.14 0.00 0.00 41.12 41.46 3l1f n ASP 67 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 3l1f h ARG 68 N 0.00 0.00 0.06 0.11 0.11 -2.01 -3.15 114.38 109.50 3l1f h ARG 68 Ca -0.16 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.58 3l1f h ARG 68 Cb 0.52 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.56 3l1f h ARG 68 CO 0.26 0.10 -1.93 -0.25 0.10 0.00 0.00 179.97 178.26 3l1f n ASP 69 N -3.72 1.48 -3.70 0.08 8.00 -1.26 -4.65 116.55 112.79 3l1f n ASP 69 Ca -0.02 0.26 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 3l1f n ASP 69 Cb 0.21 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 3l1f n ASP 69 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3l1f s LYS 70 N -2.57 1.49 -0.11 -1.24 -2.85 -1.19 -0.83 119.74 112.44 3l1f s LYS 70 Ca -0.15 -0.81 0.03 0.00 -1.00 0.00 0.00 55.97 54.05 3l1f s LYS 70 Cb 0.07 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.41 3l1f s LYS 70 CO 0.79 -0.65 -0.22 0.12 0.10 0.00 0.00 175.35 175.48 3l1f s PHE 71 N -3.86 2.49 -0.03 1.78 5.36 0.01 -1.35 117.98 122.38 3l1f s PHE 71 Ca 0.08 -1.10 0.01 0.00 -0.96 0.00 0.00 56.93 54.97 3l1f s PHE 71 Cb -0.03 -1.68 0.01 0.00 -0.34 0.00 0.00 43.02 40.98 3l1f s PHE 71 CO -0.02 -0.47 -0.05 0.14 -1.46 0.00 0.00 175.22 173.35 3l1f s VAL 72 N 0.53 0.55 -0.18 3.12 -7.23 0.28 -1.43 120.40 116.05 3l1f s VAL 72 Ca -0.15 -0.18 -0.04 0.00 -1.81 0.00 0.00 61.98 59.81 3l1f s VAL 72 Cb -0.17 -0.54 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 3l1f s VAL 72 CO 0.05 0.21 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.38 3l1f s ILE 73 N 0.60 3.77 -0.17 -0.62 1.01 0.69 -0.54 121.20 125.94 3l1f s ILE 73 Ca -0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 3l1f s ILE 73 Cb -0.11 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 3l1f s ILE 73 CO 0.00 0.47 -0.06 -0.36 0.00 0.00 0.00 174.94 174.99 3l1f s PHE 74 N 0.71 2.96 -0.06 3.97 0.08 0.91 -0.89 117.98 125.66 3l1f s PHE 74 Ca -0.02 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 3l1f s PHE 74 Cb -0.14 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3l1f s PHE 74 CO 0.02 -0.19 0.01 -1.17 -0.10 0.00 0.00 175.22 173.79 3l1f s LEU 75 N 0.63 0.59 -0.25 -0.37 2.96 0.25 -0.44 118.68 122.05 3l1f s LEU 75 Ca -0.04 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 3l1f s LEU 75 Cb -0.15 -0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 3l1f s LEU 75 CO 0.03 -0.19 1.54 -0.62 -1.32 0.00 0.00 176.35 175.78 3l1f s ASP 76 N 1.90 6.44 -0.32 3.68 -1.08 -1.26 -0.31 116.67 125.71 3l1f s ASP 76 Ca 0.04 1.48 0.12 0.00 -0.52 0.00 0.00 52.55 53.67 3l1f s ASP 76 Cb -0.12 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.27 3l1f s ASP 76 CO -0.05 -1.23 1.11 1.33 0.52 0.00 0.00 175.17 176.86 3l1f n VAL 77 N 6.41 1.93 0.31 1.11 0.24 0.98 -4.89 118.33 124.41 3l1f n VAL 77 Ca 0.18 -3.86 0.19 0.00 -2.04 0.00 0.00 64.34 58.80 3l1f n VAL 77 Cb 0.46 -0.26 1.04 0.00 -1.47 0.00 0.00 33.84 33.61 3l1f n VAL 77 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3l1f h LYS 78 N 2.51 0.00 -0.39 7.34 2.10 -1.82 -0.66 116.57 125.65 3l1f h LYS 78 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 3l1f h LYS 78 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3l1f h LYS 78 CO 0.59 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.76 3l1f n HIS 79 N -3.40 0.52 -4.93 0.07 8.25 -1.26 -4.90 115.22 109.56 3l1f n HIS 79 Ca -0.02 -0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 56.90 3l1f n HIS 79 Cb 0.14 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 31.08 3l1f n HIS 79 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3l1f s PHE 80 N -1.53 2.11 0.46 4.41 0.08 -0.26 -4.85 117.98 118.39 3l1f s PHE 80 Ca 0.24 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.86 3l1f s PHE 80 Cb 0.13 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 3l1f s PHE 80 CO 0.16 0.06 0.73 -1.12 -0.10 0.00 0.00 175.22 174.95 3l1f s SER 81 N -0.97 6.18 0.37 1.36 0.01 -1.26 -4.98 113.70 114.41 3l1f s SER 81 Ca 0.10 0.75 0.07 0.00 1.31 0.00 0.00 55.95 58.17 3l1f s SER 81 Cb -0.09 -2.10 0.77 0.00 0.21 0.00 0.00 66.02 64.80 3l1f s SER 81 CO 0.01 -0.56 1.95 -0.65 0.41 0.00 0.00 173.24 174.40 3l1f h PRO 82 N 0.33 0.71 0.00 12.44 0.11 -1.97 -0.70 132.00 142.92 3l1f h PRO 82 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3l1f h PRO 82 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3l1f h PRO 82 CO 0.61 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 3l1f n GLU 83 N -4.49 0.03 0.00 1.05 0.00 -1.26 -2.40 120.64 113.57 3l1f n GLU 83 Ca 0.11 0.25 0.13 0.00 0.00 0.00 0.00 57.16 57.65 3l1f n GLU 83 Cb 0.26 -1.55 0.39 0.00 0.00 0.00 0.00 31.44 30.54 3l1f n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3l1f n ASP 84 N -1.60 0.56 -4.64 -1.84 8.00 -0.27 -4.92 116.55 111.84 3l1f n ASP 84 Ca 0.04 -0.36 -0.33 0.00 0.71 0.00 0.00 54.79 54.84 3l1f n ASP 84 Cb 0.19 0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 3l1f n ASP 84 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3l1f s LEU 85 N -2.79 3.36 0.04 0.64 1.43 -1.01 -2.15 118.68 118.19 3l1f s LEU 85 Ca 0.18 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3l1f s LEU 85 Cb 0.19 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3l1f s LEU 85 CO 0.60 0.31 -0.14 0.42 0.23 0.00 0.00 176.35 177.76 3l1f s THR 86 N -0.99 1.08 -0.07 5.49 -4.23 -0.08 -4.99 115.64 111.85 3l1f s THR 86 Ca 0.17 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3l1f s THR 86 Cb -0.11 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.77 3l1f s THR 86 CO 0.07 0.01 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.42 3l1f s VAL 87 N -0.83 0.67 0.03 2.29 1.01 -1.26 -1.24 120.40 121.07 3l1f s VAL 87 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3l1f s VAL 87 Cb -0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3l1f s VAL 87 CO 0.01 0.28 -0.09 -0.54 0.00 0.00 0.00 175.10 174.75 3l1f s LYS 88 N 1.28 0.64 -0.18 2.72 1.02 -0.34 -4.98 119.74 119.91 3l1f s LYS 88 Ca -0.05 -0.66 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 3l1f s LYS 88 Cb -0.14 -0.54 -0.01 0.00 -0.52 0.00 0.00 37.83 36.63 3l1f s LYS 88 CO -0.02 0.12 -0.10 0.08 -0.92 0.00 0.00 175.35 174.51 3l1f s VAL 89 N -0.97 3.05 -0.16 3.17 1.01 -1.26 0.05 120.40 125.29 3l1f s VAL 89 Ca -0.04 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 3l1f s VAL 89 Cb -0.08 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 34.03 3l1f s VAL 89 CO 0.01 0.48 0.41 -1.58 0.00 0.00 0.00 175.10 174.42 3l1f s GLN 90 N 0.96 0.42 -1.56 2.72 0.74 -0.43 -4.93 119.66 117.59 3l1f s GLN 90 Ca -0.02 0.71 -0.11 0.00 0.05 0.00 0.00 55.36 55.99 3l1f s GLN 90 Cb -0.15 0.07 0.09 0.00 1.10 0.00 0.00 33.01 34.12 3l1f s GLN 90 CO -0.01 -0.12 0.71 0.39 -0.55 0.00 0.00 175.29 175.71 3l1f n GLU 91 N 3.73 -3.77 -1.63 1.67 1.02 -1.26 -1.50 120.64 118.90 3l1f n GLU 91 Ca -0.20 0.44 -0.11 0.00 -0.02 0.00 0.00 57.16 57.27 3l1f n GLU 91 Cb 0.56 -5.00 -0.03 0.00 -0.02 0.00 0.00 31.44 26.95 3l1f n GLU 91 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3l1f n ASP 92 N -2.82 -4.16 -4.24 1.62 8.00 -1.26 -5.01 116.55 108.68 3l1f n ASP 92 Ca -0.07 0.19 -0.25 0.00 0.71 0.00 0.00 54.79 55.36 3l1f n ASP 92 Cb 0.57 -2.91 -0.14 0.00 -0.02 0.00 0.00 41.12 38.62 3l1f n ASP 92 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3l1f s PHE 93 N -2.48 1.79 -0.15 1.24 0.08 -0.56 -1.23 117.98 116.67 3l1f s PHE 93 Ca 0.00 -0.37 -0.17 0.00 0.12 0.00 0.00 56.93 56.51 3l1f s PHE 93 Cb 0.00 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 3l1f s PHE 93 CO 0.00 0.07 0.45 0.08 -0.10 0.00 0.00 175.22 175.73 3l1f s VAL 94 N -0.76 5.19 -0.26 -0.44 1.01 0.92 -1.31 120.40 124.75 3l1f s VAL 94 Ca 0.07 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3l1f s VAL 94 Cb -0.09 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.55 3l1f s VAL 94 CO 0.01 0.30 -0.08 -1.61 0.00 0.00 0.00 175.10 173.72 3l1f s GLU 95 N 0.88 2.53 -0.14 2.72 0.41 0.11 -0.94 118.70 124.26 3l1f s GLU 95 Ca 0.24 -1.17 -0.00 0.00 -0.41 0.00 0.00 54.97 53.62 3l1f s GLU 95 Cb -0.15 -2.94 -0.01 0.00 -1.78 0.00 0.00 34.13 29.25 3l1f s GLU 95 CO 0.09 -0.49 -0.13 0.42 -0.49 0.00 0.00 175.26 174.65 3l1f s ILE 96 N 1.22 2.95 0.04 -1.63 1.01 -0.05 -1.19 121.20 123.55 3l1f s ILE 96 Ca -0.04 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3l1f s ILE 96 Cb -0.18 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 3l1f s ILE 96 CO -0.05 0.52 -0.16 -2.28 0.00 0.00 0.00 174.94 172.97 3l1f s HIS 97 N 0.51 1.39 -0.01 3.97 2.46 -0.38 -0.48 115.29 122.75 3l1f s HIS 97 Ca -0.09 -0.36 -0.02 0.00 0.47 0.00 0.00 55.06 55.06 3l1f s HIS 97 Cb -0.16 -0.83 0.00 0.00 -0.13 0.00 0.00 32.58 31.47 3l1f s HIS 97 CO 0.04 0.05 0.06 0.20 -2.47 0.00 0.00 174.74 172.62 3l1f s GLY 98 N -1.14 0.01 -0.14 1.59 0.00 -0.76 -0.91 107.32 105.97 3l1f s GLY 98 Ca 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.72 3l1f s GLY 98 CO 0.01 -0.02 0.30 1.25 0.00 0.00 0.00 173.10 174.65 3l1f s LYS 99 N -0.35 0.23 -0.08 2.90 2.20 -0.92 -1.16 119.74 122.57 3l1f s LYS 99 Ca -0.04 0.73 0.01 0.00 -0.36 0.00 0.00 55.97 56.31 3l1f s LYS 99 Cb -0.03 -0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.31 3l1f s LYS 99 CO 0.00 -0.22 -0.09 -1.58 -0.36 0.00 0.00 175.35 173.10 3l1f s HIS 100 N 1.95 1.28 -0.06 4.03 5.65 0.15 -4.68 115.29 123.61 3l1f s HIS 100 Ca -0.04 -0.51 0.02 0.00 0.25 0.00 0.00 55.06 54.78 3l1f s HIS 100 Cb -0.11 -1.02 -0.03 0.00 -1.18 0.00 0.00 32.58 30.24 3l1f s HIS 100 CO -0.10 -0.33 -0.11 -0.80 -0.65 0.00 0.00 174.74 172.75 3l1f s ASN 101 N 1.09 4.32 -0.04 9.88 -0.87 -1.26 -1.00 114.94 127.06 3l1f s ASN 101 Ca -0.07 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.10 3l1f s ASN 101 Cb -0.14 -1.05 0.03 0.00 -0.02 0.00 0.00 41.25 40.07 3l1f s ASN 101 CO -0.01 0.34 0.00 -0.70 -2.57 0.00 0.00 177.10 174.16 3l1f s GLU 102 N -0.69 0.35 0.40 -0.60 2.12 0.20 -5.00 118.70 115.49 3l1f s GLU 102 Ca 0.10 0.09 -0.25 0.00 0.36 0.00 0.00 54.97 55.27 3l1f s GLU 102 Cb -0.11 -0.57 -0.08 0.00 0.26 0.00 0.00 34.13 33.63 3l1f s GLU 102 CO 0.01 -0.16 1.16 0.50 -0.54 0.00 0.00 175.26 176.23 3l1f s ARG 103 N 1.21 4.05 0.49 4.30 3.52 -1.26 -0.95 118.95 130.31 3l1f s ARG 103 Ca -0.07 1.81 0.05 0.00 -0.13 0.00 0.00 55.73 57.39 3l1f s ARG 103 Cb -0.13 -2.66 -0.00 0.00 -1.56 0.00 0.00 34.95 30.59 3l1f s ARG 103 CO -0.02 -0.32 0.23 -0.65 -0.81 0.00 0.00 175.30 173.73 3l1f s GLN 104 N -2.32 2.23 0.61 5.12 -1.52 0.53 -4.88 119.66 119.43 3l1f s GLN 104 Ca 0.57 -2.05 -0.17 0.00 -1.95 0.00 0.00 55.36 51.76 3l1f s GLN 104 Cb -0.30 -1.92 -0.03 0.00 -0.22 0.00 0.00 33.01 30.54 3l1f s GLN 104 CO 0.38 -0.39 1.14 -0.51 -0.25 0.00 0.00 175.29 175.66 3l1f s ASP 105 N -4.06 5.30 -1.14 5.90 1.11 -1.26 -3.67 116.67 118.85 3l1f s ASP 105 Ca 0.29 2.15 -0.00 0.00 0.18 0.00 0.00 52.55 55.17 3l1f s ASP 105 Cb 0.01 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 3l1f s ASP 105 CO 0.17 -1.50 0.03 0.47 1.18 0.00 0.00 175.17 175.52 3l1f n ASP 106 N -1.87 -4.21 -0.78 0.27 9.92 -1.26 -3.09 116.55 115.53 3l1f n ASP 106 Ca 0.12 -0.03 -0.10 0.00 -0.53 0.00 0.00 54.79 54.25 3l1f n ASP 106 Cb 0.51 -3.36 -0.04 0.00 -0.64 0.00 0.00 41.12 37.58 3l1f n ASP 106 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3l1f n HIS 107 N -4.02 0.00 -1.81 1.24 8.25 -1.24 -5.00 115.22 112.64 3l1f n HIS 107 Ca -0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.01 3l1f n HIS 107 Cb 0.62 -2.26 0.09 0.00 1.12 0.00 0.00 29.99 29.56 3l1f n HIS 107 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3l1f s GLY 108 N -2.57 1.60 0.10 -1.41 0.00 -1.18 -4.91 107.32 98.96 3l1f s GLY 108 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 3l1f s GLY 108 CO 0.00 -0.06 0.29 -2.52 0.00 0.00 0.00 173.10 170.81 3l1f s TYR 109 N -3.45 -0.02 -0.04 1.90 -0.85 -1.26 -0.35 117.35 113.28 3l1f s TYR 109 Ca 0.61 -0.35 0.06 0.00 -0.52 0.00 0.00 57.07 56.87 3l1f s TYR 109 Cb -0.12 0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.30 3l1f s TYR 109 CO 0.51 -0.61 -0.21 0.42 -1.52 0.00 0.00 175.55 174.13 3l1f s ILE 110 N -3.78 1.70 -0.11 -3.49 1.01 -0.12 -4.91 121.20 111.51 3l1f s ILE 110 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3l1f s ILE 110 Cb 0.03 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 3l1f s ILE 110 CO -0.11 0.48 -0.19 -0.55 0.00 0.00 0.00 174.94 174.57 3l1f s SER 111 N -0.22 3.54 -0.10 3.58 0.15 -1.26 -0.62 113.70 118.76 3l1f s SER 111 Ca 0.01 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.23 3l1f s SER 111 Cb -0.11 -1.47 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 3l1f s SER 111 CO 0.01 0.17 -0.12 -0.13 1.20 0.00 0.00 173.24 174.37 3l1f s ARG 112 N 0.30 3.07 -0.07 5.44 0.52 -0.17 -4.98 118.95 123.06 3l1f s ARG 112 Ca -0.14 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 3l1f s ARG 112 Cb -0.17 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.76 3l1f s ARG 112 CO 0.07 0.39 0.30 -2.00 0.02 0.00 0.00 175.30 174.08 3l1f s GLU 113 N -0.09 0.49 0.10 3.54 2.12 -1.26 -0.67 118.70 122.92 3l1f s GLU 113 Ca -0.01 0.14 -0.10 0.00 0.36 0.00 0.00 54.97 55.36 3l1f s GLU 113 Cb -0.14 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.49 3l1f s GLU 113 CO 0.03 -0.10 0.23 -0.59 -0.54 0.00 0.00 175.26 174.30 3l1f s PHE 114 N -0.51 0.09 0.03 5.30 -0.12 -0.31 -4.99 117.98 117.47 3l1f s PHE 114 Ca -0.06 -0.50 0.05 0.00 -0.05 0.00 0.00 56.93 56.37 3l1f s PHE 114 Cb -0.04 0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 3l1f s PHE 114 CO 0.02 -0.58 -0.15 -1.58 -0.05 0.00 0.00 175.22 172.88 3l1f s HIS 115 N -3.85 1.28 -0.06 3.49 2.46 -1.26 -1.82 115.29 115.53 3l1f s HIS 115 Ca 0.05 -0.34 -0.01 0.00 0.47 0.00 0.00 55.06 55.23 3l1f s HIS 115 Cb 0.04 -0.77 0.03 0.00 -0.13 0.00 0.00 32.58 31.75 3l1f s HIS 115 CO -0.11 0.03 0.02 0.50 -2.47 0.00 0.00 174.74 172.71 3l1f s ARG 116 N -1.01 0.38 -0.18 2.88 3.00 0.37 -5.00 118.95 119.39 3l1f s ARG 116 Ca 0.03 0.19 -0.07 0.00 -1.00 0.00 0.00 55.73 54.87 3l1f s ARG 116 Cb -0.08 -0.80 -0.04 0.00 0.00 0.00 0.00 34.95 34.03 3l1f s ARG 116 CO 0.01 -0.30 0.06 0.50 0.00 0.00 0.00 175.30 175.57 3l1f s ARG 117 N 1.97 3.95 -0.00 5.12 3.52 -1.26 -0.87 118.95 131.38 3l1f s ARG 117 Ca 0.04 -0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.35 3l1f s ARG 117 Cb -0.12 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3l1f s ARG 117 CO -0.04 0.26 -0.20 0.71 -0.81 0.00 0.00 175.30 175.21 3l1f s TYR 118 N 0.41 1.79 0.20 5.12 2.02 -0.12 -4.97 117.35 121.79 3l1f s TYR 118 Ca 0.03 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 3l1f s TYR 118 Cb -0.13 -1.13 -0.08 0.00 -0.40 0.00 0.00 41.96 40.22 3l1f s TYR 118 CO 0.00 0.00 1.20 0.50 -1.57 0.00 0.00 175.55 175.69 3l1f s ARG 119 N -0.65 4.49 -0.23 -0.62 6.06 -1.26 -0.05 118.95 126.68 3l1f s ARG 119 Ca 0.08 1.90 -0.10 0.00 -2.50 0.00 0.00 55.73 55.10 3l1f s ARG 119 Cb -0.08 -3.23 -0.05 0.00 0.06 0.00 0.00 34.95 31.66 3l1f s ARG 119 CO -0.00 -0.08 0.14 -1.17 -2.50 0.00 0.00 175.30 171.69 3l1f s LEU 120 N -0.38 4.02 0.50 -0.88 2.96 -0.37 -4.83 118.68 119.71 3l1f s LEU 120 Ca 0.52 0.08 -0.22 0.00 -0.22 0.00 0.00 54.13 54.29 3l1f s LEU 120 Cb -0.33 -2.07 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 3l1f s LEU 120 CO 0.38 0.07 1.20 -2.65 -1.32 0.00 0.00 176.35 174.02 3l1f n PRO 121 N 4.25 1.54 0.28 0.98 -0.02 -1.26 -4.83 135.00 135.93 3l1f n PRO 121 Ca -0.15 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.07 3l1f n PRO 121 Cb 0.52 -2.35 0.85 0.00 -0.02 0.00 0.00 33.50 32.49 3l1f n PRO 121 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3l1f h SER 122 N 1.44 0.00 -0.30 2.55 4.64 -1.97 -2.38 113.55 117.53 3l1f h SER 122 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3l1f h SER 122 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3l1f h SER 122 CO 0.56 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.06 3l1f n ASN 123 N -2.94 2.91 -4.74 4.97 6.94 -1.26 -4.90 115.26 116.23 3l1f n ASN 123 Ca -0.01 -1.91 -0.41 0.00 -0.02 0.00 0.00 54.58 52.23 3l1f n ASN 123 Cb 0.20 -0.19 -0.04 0.00 -2.36 0.00 0.00 39.78 37.39 3l1f n ASN 123 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3l1f s VAL 124 N -1.62 3.77 -0.56 3.53 1.01 -0.90 -0.95 120.40 124.68 3l1f s VAL 124 Ca 0.36 1.54 -0.28 0.00 0.00 0.00 0.00 61.98 63.61 3l1f s VAL 124 Cb 0.21 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3l1f s VAL 124 CO 0.30 0.27 1.33 -0.62 0.00 0.00 0.00 175.10 176.38 3l1f s ASP 125 N -0.13 6.26 0.00 3.32 -1.08 -0.26 -4.87 116.67 119.91 3l1f s ASP 125 Ca 0.50 0.24 0.26 0.00 -0.52 0.00 0.00 52.55 53.02 3l1f s ASP 125 Cb -0.30 -2.55 1.37 0.00 -1.46 0.00 0.00 42.92 39.98 3l1f s ASP 125 CO 0.36 -1.61 1.87 0.00 0.52 0.00 0.00 175.17 176.31 3l1f n GLN 126 N 8.56 0.51 0.00 4.34 6.02 -1.26 -1.73 117.38 133.81 3l1f n GLN 126 Ca 0.11 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.26 3l1f n GLN 126 Cb 0.49 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.60 3l1f n GLN 126 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3l1f n SER 127 N -1.19 1.27 -2.25 1.08 7.64 -1.26 -4.28 113.62 114.62 3l1f n SER 127 Ca 0.14 -1.09 -0.09 0.00 1.01 0.00 0.00 58.87 58.84 3l1f n SER 127 Cb 0.17 0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.56 3l1f n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3l1f n ALA 128 N -0.40 3.66 -2.09 -0.43 0.00 -0.70 -5.07 120.51 115.47 3l1f n ALA 128 Ca 0.13 -3.20 -0.36 0.00 0.00 0.00 0.00 53.44 50.01 3l1f n ALA 128 Cb 0.37 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 3l1f n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3l1f s LEU 129 N -3.42 4.35 0.08 0.00 1.43 -1.25 -4.32 118.68 115.55 3l1f s LEU 129 Ca 0.38 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 3l1f s LEU 129 Cb 0.37 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3l1f s LEU 129 CO -0.02 0.03 -0.07 -0.94 0.23 0.00 0.00 176.35 175.59 3l1f s SER 130 N -1.64 0.99 -0.16 2.29 1.04 -0.37 -5.01 113.70 110.83 3l1f s SER 130 Ca 0.43 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 3l1f s SER 130 Cb -0.17 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.08 3l1f s SER 130 CO 0.21 -0.39 0.42 0.00 0.98 0.00 0.00 173.24 174.45 3l1f s SER 132 N 0.52 0.03 -0.15 0.00 1.04 -0.36 -5.00 113.70 109.78 3l1f s SER 132 Ca -0.02 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3l1f s SER 132 Cb -0.04 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.42 3l1f s SER 132 CO -0.03 -0.67 -0.20 -0.22 0.98 0.00 0.00 173.24 173.10 3l1f s LEU 133 N -2.52 2.22 0.66 2.42 2.96 -1.26 -0.75 118.68 122.41 3l1f s LEU 133 Ca 0.00 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.23 3l1f s LEU 133 Cb 0.02 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3l1f s LEU 133 CO -0.08 0.07 1.06 -0.94 -1.32 0.00 0.00 176.35 175.14 3l1f s SER 134 N 0.91 5.82 0.52 3.68 1.04 0.08 -4.94 113.70 120.81 3l1f s SER 134 Ca -0.04 1.33 0.18 0.00 0.48 0.00 0.00 55.95 57.90 3l1f s SER 134 Cb -0.15 -2.27 1.31 0.00 0.10 0.00 0.00 66.02 65.02 3l1f s SER 134 CO -0.03 -1.12 2.12 0.00 0.98 0.00 0.00 173.24 175.19 3l1f h ALA 135 N -0.50 2.08 -0.33 5.32 0.00 -2.00 -1.08 119.26 122.75 3l1f h ALA 135 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3l1f h ALA 135 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3l1f h ALA 135 CO 0.62 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 3l1f n ASP 136 N -4.48 1.99 0.00 0.00 5.75 -1.26 -4.91 116.55 113.63 3l1f n ASP 136 Ca -0.01 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3l1f n ASP 136 Cb 0.19 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3l1f n ASP 136 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3l1f n GLY 137 N 1.12 0.77 3.68 6.12 0.00 -0.41 -4.75 105.19 111.73 3l1f n GLY 137 Ca 0.14 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3l1f n GLY 137 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3l1f s MET 138 N -0.73 4.17 -0.13 1.61 -1.94 -1.26 -0.02 119.30 121.01 3l1f s MET 138 Ca 0.00 0.14 -0.18 0.00 -1.71 0.00 0.00 55.69 53.93 3l1f s MET 138 Cb 0.00 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 3l1f s MET 138 CO 0.00 0.00 0.49 -1.17 -0.01 0.00 0.00 175.02 174.33 3l1f s LEU 139 N 1.19 4.25 -0.16 -0.03 2.96 0.57 -0.74 118.68 126.72 3l1f s LEU 139 Ca 0.17 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 3l1f s LEU 139 Cb -0.14 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.85 3l1f s LEU 139 CO 0.07 -0.04 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.00 3l1f s THR 140 N 0.82 2.43 -0.10 3.68 2.01 0.07 -0.58 115.64 123.97 3l1f s THR 140 Ca 0.26 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.45 3l1f s THR 140 Cb -0.15 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 3l1f s THR 140 CO 0.10 0.52 -0.20 0.12 -0.69 0.00 0.00 174.62 174.48 3l1f s PHE 141 N 0.95 2.63 0.07 4.92 5.36 -0.07 -1.23 117.98 130.62 3l1f s PHE 141 Ca -0.03 -0.81 -0.10 0.00 -0.96 0.00 0.00 56.93 55.04 3l1f s PHE 141 Cb -0.15 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 40.80 3l1f s PHE 141 CO -0.03 -0.28 0.21 -1.54 -1.46 0.00 0.00 175.22 172.12 3l1f s SER 142 N 0.20 0.06 -0.03 6.13 1.04 -0.24 -0.22 113.70 120.64 3l1f s SER 142 Ca -0.12 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 3l1f s SER 142 Cb -0.16 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.32 3l1f s SER 142 CO 0.07 -0.68 0.33 -0.83 0.98 0.00 0.00 173.24 173.11 3l1f s GLY 143 N -2.57 -0.18 0.55 7.32 0.00 -0.51 -1.24 107.32 110.68 3l1f s GLY 143 Ca 0.01 0.46 -0.16 0.00 0.00 0.00 0.00 44.72 45.03 3l1f s GLY 143 CO -0.08 0.25 1.01 2.56 0.00 0.00 0.00 173.10 176.84 3l1f s PRO 144 N -1.09 3.73 0.09 2.90 0.04 -1.26 -0.81 135.00 138.60 3l1f s PRO 144 Ca -0.11 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 3l1f s PRO 144 Cb -0.05 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 3l1f s PRO 144 CO 0.04 -0.46 0.51 0.15 0.04 0.00 0.00 177.00 177.28 3l1f s LYS 145 N -4.14 4.00 -0.08 4.56 1.02 -0.01 -1.11 119.74 124.00 3l1f s LYS 145 Ca 0.60 0.51 -0.24 0.00 0.02 0.00 0.00 55.97 56.86 3l1f s LYS 145 Cb -0.12 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 3l1f s LYS 145 CO 0.34 0.58 0.72 0.42 -0.92 0.00 0.00 175.35 176.49 3l1f s ILE 146 N -1.27 5.02 0.22 2.17 1.01 -0.13 -4.89 121.20 123.34 3l1f s ILE 146 Ca 0.32 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 62.14 3l1f s ILE 146 Cb -0.17 -4.06 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 3l1f s ILE 146 CO 0.18 0.22 1.48 -2.84 0.00 0.00 0.00 174.94 173.98 3l1f s PRO 147 N 0.97 4.25 0.04 2.79 0.02 -1.26 -4.93 135.00 136.87 3l1f s PRO 147 Ca 0.38 2.32 0.23 0.00 0.02 0.00 0.00 61.00 63.94 3l1f s PRO 147 Cb -0.18 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 3l1f s PRO 147 CO 0.18 -0.49 0.97 -1.13 -0.33 0.00 0.00 177.00 176.20 3l1f n SER 148 N 2.90 0.60 0.00 2.53 3.41 -1.26 -4.96 113.62 116.83 3l1f n SER 148 Ca 0.09 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3l1f n SER 148 Cb 0.40 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 3l1f n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3l1f n GLY 149 N 1.37 0.60 2.97 5.00 0.00 -1.26 -5.33 105.19 108.55 3l1f n GLY 149 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3l1f n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3l1f s VAL 150 N -2.28 0.49 0.61 1.61 1.01 -1.26 -5.36 120.40 115.22 3l1f s VAL 150 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 3l1f s VAL 150 Cb 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 36.38 35.82 3l1f s VAL 150 CO 0.00 0.14 -0.30 1.21 0.00 0.00 0.00 175.10 176.15 3l1f n GLU 156 N 2.97 0.00 -4.16 2.72 4.07 -1.26 -5.26 120.64 119.73 3l1f n GLU 156 Ca -0.14 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.70 3l1f n GLU 156 Cb 0.58 -0.95 -0.17 0.00 -0.06 0.00 0.00 31.44 30.84 3l1f n GLU 156 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3l1f s ARG 157 N -1.22 1.62 0.30 5.31 1.81 -1.26 -5.12 118.95 120.40 3l1f s ARG 157 Ca 0.50 -0.32 -0.29 0.00 -1.72 0.00 0.00 55.73 53.89 3l1f s ARG 157 Cb -0.39 -1.54 -0.10 0.00 -0.45 0.00 0.00 34.95 32.47 3l1f s ARG 157 CO 0.67 -0.16 1.24 0.00 -0.68 0.00 0.00 175.30 176.37 3l1f s ALA 158 N 1.31 3.47 -0.18 2.13 0.00 -1.26 -5.02 121.76 122.21 3l1f s ALA 158 Ca -0.02 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 3l1f s ALA 158 Cb -0.14 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 3l1f s ALA 158 CO -0.04 -0.48 -0.12 0.42 0.00 0.00 0.00 175.76 175.55 3l1f s ILE 159 N -1.02 2.89 0.42 0.00 -1.09 -1.26 -5.10 121.20 116.05 3l1f s ILE 159 Ca 0.48 -0.68 -0.26 0.00 -2.23 0.00 0.00 60.65 57.96 3l1f s ILE 159 Cb -0.37 -2.26 -0.09 0.00 -1.58 0.00 0.00 42.46 38.16 3l1f s ILE 159 CO 0.48 0.49 1.45 -2.84 -1.23 0.00 0.00 174.94 173.28 3l1f s PRO 160 N 1.07 3.85 -0.31 2.79 0.02 -1.26 -4.99 135.00 136.18 3l1f s PRO 160 Ca -0.00 2.48 -0.07 0.00 0.02 0.00 0.00 61.00 63.42 3l1f s PRO 160 Cb -0.15 -2.78 0.01 0.00 0.02 0.00 0.00 34.50 31.61 3l1f s PRO 160 CO -0.03 -0.70 0.10 0.08 -0.33 0.00 0.00 177.00 176.12 3l1f s VAL 161 N -1.17 4.02 0.08 3.83 1.01 -1.26 -5.09 120.40 121.82 3l1f s VAL 161 Ca 0.58 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 3l1f s VAL 161 Cb -0.45 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3l1f s VAL 161 CO 0.59 0.02 0.71 -0.44 0.00 0.00 0.00 175.10 175.98 3l1f s SER 162 N 1.50 7.21 0.00 3.32 0.01 -1.26 -5.36 113.70 119.11 3l1f s SER 162 Ca 0.02 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.71 3l1f s SER 162 Cb -0.18 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3l1f s SER 162 CO 0.03 0.13 0.12 0.54 0.41 0.00 0.00 173.24 174.46