#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm s SER 38 N 0.00 7.19 -0.06 1.61 1.04 -1.26 -5.00 113.70 117.22 2cpm s SER 38 Ca 0.00 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.04 2cpm s SER 38 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2cpm s SER 38 CO 0.00 -0.39 1.11 -0.94 0.98 0.00 0.00 173.24 174.01 2cpm s SER 39 N 0.96 7.14 0.24 7.02 1.04 -1.26 -4.96 113.70 123.89 2cpm s SER 39 Ca 0.56 1.71 -0.27 0.00 0.48 0.00 0.00 55.95 58.43 2cpm s SER 39 Cb -0.27 -2.56 -0.16 0.00 0.10 0.00 0.00 66.02 63.13 2cpm s SER 39 CO 0.29 -0.51 0.52 0.61 0.98 0.00 0.00 173.24 175.13 2cpm n GLY 40 N 3.23 -1.71 3.95 7.32 0.00 -1.26 -4.95 105.19 111.76 2cpm n GLY 40 Ca 0.10 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 2cpm n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpm s SER 41 N -0.95 6.24 -0.03 1.61 0.01 -1.26 -5.12 113.70 114.20 2cpm s SER 41 Ca 0.63 0.40 -0.10 0.00 1.31 0.00 0.00 55.95 58.18 2cpm s SER 41 Cb -0.86 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 63.44 2cpm s SER 41 CO 0.57 -0.33 0.23 -0.55 0.41 0.00 0.00 173.24 173.57 2cpm s SER 42 N -4.06 -0.12 -0.01 2.44 0.15 -1.26 -5.04 113.70 105.81 2cpm s SER 42 Ca 0.41 0.06 -0.00 0.00 0.70 0.00 0.00 55.95 57.12 2cpm s SER 42 Cb -0.10 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2cpm s SER 42 CO 0.36 -0.34 1.96 0.61 1.20 0.00 0.00 173.24 177.04 2cpm n GLY 43 N 1.72 2.52 0.06 9.45 0.00 -1.26 -3.62 105.19 114.06 2cpm n GLY 43 Ca -0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 2cpm n GLY 43 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cpm n GLN 44 N 1.44 0.74 -0.07 1.61 1.13 -1.26 -4.56 117.38 116.41 2cpm n GLN 44 Ca 0.01 0.06 0.16 0.00 -1.94 0.00 0.00 57.00 55.28 2cpm n GLN 44 Cb 0.50 -1.25 0.57 0.00 0.11 0.00 0.00 30.24 30.17 2cpm n GLN 44 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2cpm h LYS 45 N 0.00 0.24 -0.33 -1.09 1.79 -2.02 -3.06 116.57 112.11 2cpm h LYS 45 Ca -0.28 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.21 2cpm h LYS 45 Cb 1.47 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 32.03 2cpm h LYS 45 CO -0.03 0.16 -0.19 0.28 -1.08 0.00 0.00 179.45 178.59 2cpm n VAL 46 N -4.44 -0.22 -0.25 0.50 0.31 -1.26 -0.06 118.33 112.90 2cpm n VAL 46 Ca 0.11 1.28 -0.11 0.00 -0.01 0.00 0.00 64.34 65.61 2cpm n VAL 46 Cb 0.50 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 2cpm n VAL 46 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2cpm h GLU 47 N 0.00 -0.20 -0.56 5.55 4.39 -1.87 -0.77 114.58 121.13 2cpm h GLU 47 Ca 0.05 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.86 2cpm h GLU 47 Cb 0.13 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.72 2cpm h GLU 47 CO -0.31 -0.14 -0.40 0.35 -1.16 0.00 0.00 179.01 177.35 2cpm h PHE 48 N -0.21 -1.17 -0.78 4.33 3.57 -0.65 0.82 116.94 122.84 2cpm h PHE 48 Ca 0.14 0.08 0.19 0.00 3.53 0.00 0.00 57.97 61.91 2cpm h PHE 48 Cb 0.53 0.59 -0.13 0.00 2.79 0.00 0.00 35.95 39.74 2cpm h PHE 48 CO -0.82 -0.41 0.14 -0.09 -2.23 0.00 0.00 178.31 174.89 2cpm h ARG 49 N -0.22 0.19 0.12 1.11 2.43 0.09 -0.94 114.38 117.15 2cpm h ARG 49 Ca 0.19 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2cpm h ARG 49 Cb 0.56 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 2cpm h ARG 49 CO -0.67 0.13 -0.32 0.87 -1.51 0.00 0.00 179.97 178.47 2cpm h LYS 50 N 0.20 -0.53 -0.37 0.20 1.79 -0.10 -1.79 116.57 115.98 2cpm h LYS 50 Ca 0.45 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 59.04 2cpm h LYS 50 Cb 0.83 0.12 -0.09 0.00 -1.58 0.00 0.00 32.23 31.51 2cpm h LYS 50 CO -0.60 -0.35 -0.32 -0.09 -1.08 0.00 0.00 179.45 177.00 2cpm h ARG 51 N -0.55 -0.26 -0.58 3.15 2.43 -0.67 -0.94 114.38 116.96 2cpm h ARG 51 Ca 0.03 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 2cpm h ARG 51 Cb 0.58 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.09 2cpm h ARG 51 CO -0.19 -0.17 -0.00 0.52 -1.51 0.00 0.00 179.97 178.61 2cpm h MET 52 N -0.27 0.11 -0.54 0.20 2.86 -1.09 0.52 114.93 116.72 2cpm h MET 52 Ca 0.16 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.90 2cpm h MET 52 Cb 0.54 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 2cpm h MET 52 CO -0.52 0.07 -0.01 0.93 1.06 0.00 0.00 176.91 178.45 2cpm h GLU 53 N 0.11 0.11 -0.29 1.72 5.08 -0.31 0.48 114.58 121.48 2cpm h GLU 53 Ca 0.30 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2cpm h GLU 53 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2cpm h GLU 53 CO -0.50 0.07 0.03 -0.22 -1.00 0.00 0.00 179.01 177.39 2cpm h LYS 54 N 0.11 0.49 0.46 2.33 1.63 -0.65 -2.36 116.57 118.58 2cpm h LYS 54 Ca 0.28 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2cpm h LYS 54 Cb 0.43 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2cpm h LYS 54 CO -0.46 0.61 -0.22 0.93 -3.45 0.00 0.00 179.45 176.86 2cpm h GLU 55 N 0.30 -0.59 -0.80 1.90 4.39 0.01 -2.39 114.58 117.41 2cpm h GLU 55 Ca 0.09 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.93 2cpm h GLU 55 Cb 0.37 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 29.03 2cpm h GLU 55 CO 0.01 -0.39 -0.47 0.28 -1.16 0.00 0.00 179.01 177.28 2cpm h VAL 56 N -0.65 0.04 -0.47 3.13 2.07 -0.17 -0.27 116.25 119.93 2cpm h VAL 56 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2cpm h VAL 56 Cb 0.47 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 2cpm h VAL 56 CO 0.10 0.00 -0.40 -1.28 0.02 0.00 0.00 177.57 176.02 2cpm h SER 57 N -0.11 -1.34 -0.87 0.57 0.87 -1.45 0.14 113.55 111.36 2cpm h SER 57 Ca 0.22 0.22 0.21 0.00 -1.23 0.00 0.00 61.79 61.21 2cpm h SER 57 Cb 0.54 0.61 -0.12 0.00 -0.44 0.00 0.00 62.40 62.98 2cpm h SER 57 CO -0.83 -0.34 0.35 -0.78 -0.53 0.00 0.00 176.83 174.70 2cpm h ASP 58 N -0.27 0.27 -0.47 6.23 3.58 -0.53 0.12 116.42 125.35 2cpm h ASP 58 Ca 0.17 0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.70 2cpm h ASP 58 Cb 0.57 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2cpm h ASP 58 CO -0.61 -0.01 0.02 0.15 -2.88 0.00 0.00 179.24 175.92 2cpm h PHE 59 N 0.38 0.88 0.33 0.28 3.04 -0.06 -2.12 116.94 119.67 2cpm h PHE 59 Ca 0.54 -0.14 -0.00 0.00 3.98 0.00 0.00 57.97 62.34 2cpm h PHE 59 Cb 1.00 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2cpm h PHE 59 CO -0.16 0.84 -0.34 0.82 -2.02 0.00 0.00 178.31 177.44 2cpm h ILE 60 N 0.66 0.29 -0.54 1.41 2.04 0.12 -2.76 117.51 118.73 2cpm h ILE 60 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.05 2cpm h ILE 60 Cb 0.47 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 2cpm h ILE 60 CO 0.02 0.00 0.24 1.56 0.00 0.00 0.00 178.15 179.97 2cpm h GLN 61 N -0.71 0.45 -6.10 2.37 4.20 -1.28 -3.40 115.11 110.65 2cpm h GLN 61 Ca -0.02 -0.03 -0.58 0.00 0.06 0.00 0.00 58.65 58.09 2cpm h GLN 61 Cb 0.65 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2cpm h GLN 61 CO -0.07 0.30 1.41 0.34 -0.67 0.00 0.00 178.83 180.14 2cpm s ASP 62 N -5.46 5.73 -0.01 1.46 -1.08 -0.80 -4.87 116.67 111.64 2cpm s ASP 62 Ca -0.13 2.01 -0.25 0.00 -0.52 0.00 0.00 52.55 53.67 2cpm s ASP 62 Cb 0.15 -2.52 -0.19 0.00 -1.46 0.00 0.00 42.92 38.90 2cpm s ASP 62 CO 0.74 -1.73 1.28 -1.28 0.52 0.00 0.00 175.17 174.70 2cpm h SER 63 N 13.82 0.09 -1.03 -0.34 0.87 -1.81 -3.17 113.55 121.98 2cpm h SER 63 Ca -0.42 -0.50 0.29 0.00 -1.23 0.00 0.00 61.79 59.93 2cpm h SER 63 Cb 1.23 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 63.03 2cpm h SER 63 CO 0.96 0.57 0.61 1.23 -0.53 0.00 0.00 176.83 179.67 2cpm h GLY 64 N -0.38 1.84 -5.16 5.77 0.00 -1.93 -3.38 103.07 99.83 2cpm h GLY 64 Ca 0.01 -0.26 -0.56 0.00 0.00 0.00 0.00 47.33 46.51 2cpm h GLY 64 CO 0.01 -0.33 0.95 1.20 0.00 0.00 0.00 176.54 178.37 2cpm s GLN 65 N -5.67 4.22 -0.12 4.80 1.11 -1.20 -4.87 119.66 117.93 2cpm s GLN 65 Ca -0.10 1.81 0.13 0.00 0.01 0.00 0.00 55.36 57.21 2cpm s GLN 65 Cb 0.28 -3.81 -0.19 0.00 -1.01 0.00 0.00 33.01 28.28 2cpm s GLN 65 CO 0.80 -0.74 0.10 0.44 0.01 0.00 0.00 175.29 175.90 2cpm n ILE 66 N 5.37 0.80 -3.73 1.08 -5.35 -1.26 -4.94 119.36 111.34 2cpm n ILE 66 Ca 0.15 -0.56 -0.10 0.00 -0.27 0.00 0.00 62.75 61.97 2cpm n ILE 66 Cb 0.44 -0.49 -0.06 0.00 -1.74 0.00 0.00 39.64 37.80 2cpm n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2cpm s LYS 67 N -2.47 1.00 -0.09 6.28 -2.85 -1.26 -2.17 119.74 118.18 2cpm s LYS 67 Ca -0.07 -0.82 -0.04 0.00 -1.00 0.00 0.00 55.97 54.04 2cpm s LYS 67 Cb 0.05 0.42 0.05 0.00 -2.06 0.00 0.00 37.83 36.29 2cpm s LYS 67 CO 0.59 -0.37 0.22 0.21 0.10 0.00 0.00 175.35 176.10 2cpm s LYS 68 N -3.83 0.17 -0.33 1.78 2.20 -0.75 -5.00 119.74 113.98 2cpm s LYS 68 Ca 0.04 0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 56.12 2cpm s LYS 68 Cb 0.03 -0.14 0.06 0.00 -1.51 0.00 0.00 37.83 36.27 2cpm s LYS 68 CO -0.11 -0.17 0.07 0.21 -0.36 0.00 0.00 175.35 174.98 2cpm s LYS 69 N 1.32 2.43 0.75 4.03 2.20 -1.26 -0.98 119.74 128.23 2cpm s LYS 69 Ca -0.08 -1.32 -0.10 0.00 -0.36 0.00 0.00 55.97 54.11 2cpm s LYS 69 Cb -0.11 -3.34 0.06 0.00 -1.51 0.00 0.00 37.83 32.94 2cpm s LYS 69 CO -0.08 -0.71 1.09 -0.06 -0.36 0.00 0.00 175.35 175.24 2cpm s PHE 70 N 1.29 2.99 -0.11 4.03 0.40 -0.62 -5.00 117.98 120.96 2cpm s PHE 70 Ca -0.02 0.66 -0.05 0.00 -0.60 0.00 0.00 56.93 56.92 2cpm s PHE 70 Cb -0.20 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 2cpm s PHE 70 CO -0.00 -1.53 0.08 -0.65 0.70 0.00 0.00 175.22 173.82 2cpm s GLN 71 N -5.40 3.25 -0.63 0.44 1.11 -1.26 -3.82 119.66 113.35 2cpm s GLN 71 Ca 0.60 -0.26 -0.26 0.00 0.01 0.00 0.00 55.36 55.45 2cpm s GLN 71 Cb -0.11 -3.01 -0.02 0.00 -1.01 0.00 0.00 33.01 28.86 2cpm s GLN 71 CO 0.47 0.73 1.86 -1.25 0.01 0.00 0.00 175.29 177.12 2cpm s PRO 72 N -0.93 2.62 -0.22 2.91 0.04 -1.26 -4.79 135.00 133.37 2cpm s PRO 72 Ca 0.14 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 61.64 2cpm s PRO 72 Cb -0.12 -4.43 -0.19 0.00 0.04 0.00 0.00 34.50 29.81 2cpm s PRO 72 CO 0.03 -2.77 -0.01 -1.33 0.04 0.00 0.00 177.00 172.96 2cpm n MET 73 N 9.17 0.65 -4.50 4.56 2.81 -1.26 -5.00 117.12 123.55 2cpm n MET 73 Ca 0.21 0.30 -0.25 0.00 -1.81 0.00 0.00 57.70 56.15 2cpm n MET 73 Cb 0.52 -1.61 -0.08 0.00 -0.71 0.00 0.00 33.22 31.33 2cpm n MET 73 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2cpm s ASN 74 N -6.97 2.70 -0.09 7.83 -0.87 -1.26 -5.07 114.94 111.21 2cpm s ASN 74 Ca -0.31 -1.65 0.02 0.00 -1.57 0.00 0.00 52.86 49.34 2cpm s ASN 74 Cb 0.09 0.46 -0.25 0.00 -0.02 0.00 0.00 41.25 41.53 2cpm s ASN 74 CO 0.62 -0.91 0.50 1.17 -2.57 0.00 0.00 177.10 175.91 2cpm n LYS 75 N -0.88 0.71 0.06 -0.60 4.81 -1.26 -4.33 118.16 116.67 2cpm n LYS 75 Ca -0.05 0.28 -0.19 0.00 -0.87 0.00 0.00 58.31 57.47 2cpm n LYS 75 Cb 0.65 -1.75 -0.15 0.00 0.02 0.00 0.00 35.03 33.81 2cpm n LYS 75 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2cpm h ILE 76 N 0.04 1.04 -1.63 3.15 1.08 -2.02 -3.34 117.51 115.83 2cpm h ILE 76 Ca -0.36 -2.66 0.51 0.00 -0.39 0.00 0.00 64.86 61.96 2cpm h ILE 76 Cb 2.03 2.75 -0.11 0.00 -3.07 0.00 0.00 36.82 38.42 2cpm h ILE 76 CO 0.09 0.83 1.12 -0.33 -0.69 0.00 0.00 178.15 179.16 2cpm h GLU 77 N 0.08 0.01 0.56 2.37 3.07 -1.99 0.43 114.58 119.12 2cpm h GLU 77 Ca -0.29 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.54 2cpm h GLU 77 Cb 2.06 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.97 2cpm h GLU 77 CO 0.17 0.01 -0.27 0.00 -1.40 0.00 0.00 179.01 177.52 2cpm h ARG 78 N 0.01 -0.72 -0.79 2.33 2.47 -1.77 0.37 114.38 116.28 2cpm h ARG 78 Ca 0.89 0.05 0.19 0.00 -1.26 0.00 0.00 59.98 59.85 2cpm h ARG 78 Cb 3.20 0.16 -0.13 0.00 -1.65 0.00 0.00 29.97 31.56 2cpm h ARG 78 CO -0.25 -0.48 0.14 1.03 0.56 0.00 0.00 179.97 180.97 2cpm h SER 79 N -0.76 -0.10 0.67 7.04 0.87 -1.14 0.66 113.55 120.79 2cpm h SER 79 Ca -0.08 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2cpm h SER 79 Cb 0.58 0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2cpm h SER 79 CO 0.13 -0.12 -0.32 0.40 -0.53 0.00 0.00 176.83 176.38 2cpm h ILE 80 N 0.20 0.34 -0.87 2.23 2.04 -1.37 -2.42 117.51 117.66 2cpm h ILE 80 Ca 0.46 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.47 2cpm h ILE 80 Cb 0.84 0.34 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 2cpm h ILE 80 CO -0.60 0.00 0.46 0.25 0.00 0.00 0.00 178.15 178.26 2cpm h LEU 81 N -0.90 0.56 0.01 1.44 5.85 0.16 -1.71 115.31 120.71 2cpm h LEU 81 Ca -0.09 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2cpm h LEU 81 Cb 0.69 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2cpm h LEU 81 CO 0.15 0.23 -0.22 0.45 -0.34 0.00 0.00 178.44 178.72 2cpm h HIS 82 N 0.65 -0.57 -0.62 1.25 3.86 -0.67 -1.76 115.15 117.27 2cpm h HIS 82 Ca 0.48 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.80 2cpm h HIS 82 Cb 0.68 0.25 -0.07 0.00 1.06 0.00 0.00 27.41 29.33 2cpm h HIS 82 CO -0.08 -0.30 0.24 0.22 0.86 0.00 0.00 177.93 178.86 2cpm h ASP 83 N -0.35 0.24 -0.91 2.45 1.82 -0.83 -0.55 116.42 118.28 2cpm h ASP 83 Ca 0.06 0.08 0.08 0.00 -0.39 0.00 0.00 57.03 56.86 2cpm h ASP 83 Cb 0.42 0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.43 2cpm h ASP 83 CO -0.19 0.14 0.59 0.58 -1.61 0.00 0.00 179.24 178.74 2cpm h VAL 84 N 0.42 1.02 0.25 2.25 2.07 -0.84 -2.07 116.25 119.35 2cpm h VAL 84 Ca 0.32 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2cpm h VAL 84 Cb 0.39 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2cpm h VAL 84 CO -0.31 0.18 -0.12 0.58 0.02 0.00 0.00 177.57 177.91 2cpm h VAL 85 N 0.97 0.00 -1.41 2.57 2.07 -0.29 -1.94 116.25 118.22 2cpm h VAL 85 Ca 0.41 -0.20 0.47 0.00 0.82 0.00 0.00 66.70 68.20 2cpm h VAL 85 Cb 0.30 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.94 2cpm h VAL 85 CO -0.17 0.00 0.93 1.05 0.02 0.00 0.00 177.57 179.40 2cpm h GLU 86 N -0.54 0.04 -0.13 1.57 4.11 -1.22 1.21 114.58 119.62 2cpm h GLU 86 Ca -0.03 -0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.19 2cpm h GLU 86 Cb 0.26 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2cpm h GLU 86 CO 0.06 0.03 -0.72 0.28 0.07 0.00 0.00 179.01 178.72 2cpm h VAL 87 N 0.04 1.30 -0.33 -1.06 2.07 -1.36 -3.21 116.25 113.71 2cpm h VAL 87 Ca 0.86 -1.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 2cpm h VAL 87 Cb 2.81 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 34.63 2cpm h VAL 87 CO -0.39 0.61 -0.03 0.00 0.02 0.00 0.00 177.57 177.78 2cpm h ALA 88 N 0.51 1.35 0.00 1.67 0.00 0.22 -3.47 119.26 119.55 2cpm h ALA 88 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2cpm h ALA 88 Cb 1.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2cpm h ALA 88 CO 0.15 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2cpm n GLY 89 N -0.83 1.46 3.47 0.00 0.00 -0.22 -5.10 105.19 103.98 2cpm n GLY 89 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2cpm n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cpm s LEU 90 N 0.00 2.28 -0.26 0.99 1.43 -1.20 -4.67 118.68 117.25 2cpm s LEU 90 Ca 0.00 -1.38 -0.15 0.00 -1.03 0.00 0.00 54.13 51.57 2cpm s LEU 90 Cb 0.00 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 2cpm s LEU 90 CO 0.00 -0.59 0.37 -0.89 0.23 0.00 0.00 176.35 175.48 2cpm s THR 91 N -3.21 5.18 0.03 5.49 2.01 -0.10 -4.09 115.64 120.95 2cpm s THR 91 Ca 0.36 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.97 2cpm s THR 91 Cb 0.09 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2cpm s THR 91 CO 0.16 0.17 -0.01 -0.94 -0.69 0.00 0.00 174.62 173.30 2cpm s SER 92 N 1.58 4.98 0.23 3.53 1.04 -1.26 -0.46 113.70 123.35 2cpm s SER 92 Ca 0.15 -0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.34 2cpm s SER 92 Cb -0.16 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.73 2cpm s SER 92 CO 0.10 0.25 0.51 -0.36 0.98 0.00 0.00 173.24 174.71 2cpm s PHE 93 N -1.14 0.17 -0.24 5.02 0.08 -0.47 -5.02 117.98 116.39 2cpm s PHE 93 Ca 0.21 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.72 2cpm s PHE 93 Cb -0.11 0.29 0.06 0.00 -0.57 0.00 0.00 43.02 42.69 2cpm s PHE 93 CO 0.12 -0.99 -0.05 -1.54 -0.10 0.00 0.00 175.22 172.66 2cpm s SER 94 N -2.97 3.91 -0.13 1.36 1.04 -1.26 -1.82 113.70 113.84 2cpm s SER 94 Ca 0.17 -1.22 0.02 0.00 0.48 0.00 0.00 55.95 55.40 2cpm s SER 94 Cb -0.01 -1.21 0.01 0.00 0.10 0.00 0.00 66.02 64.91 2cpm s SER 94 CO 0.05 -0.24 -0.18 -0.36 0.98 0.00 0.00 173.24 173.50 2cpm s PHE 95 N 1.37 2.31 0.01 5.02 0.08 -0.47 -4.99 117.98 121.30 2cpm s PHE 95 Ca -0.06 -1.17 0.01 0.00 0.12 0.00 0.00 56.93 55.83 2cpm s PHE 95 Cb -0.19 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2cpm s PHE 95 CO -0.06 -0.58 -0.03 0.20 -0.10 0.00 0.00 175.22 174.64 2cpm s GLY 96 N 1.02 0.20 0.07 4.36 0.00 -1.26 -2.42 107.32 109.30 2cpm s GLY 96 Ca -0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.25 2cpm s GLY 96 CO -0.04 -0.28 1.27 -2.09 0.00 0.00 0.00 173.10 171.96 2cpm h GLU 97 N 5.66 0.66 -5.97 2.90 4.81 -1.97 -3.46 114.58 117.21 2cpm h GLU 97 Ca -0.28 -0.54 -0.59 0.00 -0.13 0.00 0.00 59.36 57.82 2cpm h GLU 97 Cb 1.20 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 30.58 2cpm h GLU 97 CO 0.48 1.15 -0.60 -0.51 -0.73 0.00 0.00 179.01 178.80 2cpm s ASP 98 N -6.89 4.17 0.13 1.04 1.01 -1.19 -5.05 116.67 109.88 2cpm s ASP 98 Ca -0.12 -1.04 -0.14 0.00 0.71 0.00 0.00 52.55 51.97 2cpm s ASP 98 Cb 0.07 -0.51 -0.02 0.00 1.01 0.00 0.00 42.92 43.47 2cpm s ASP 98 CO 0.87 -0.29 1.55 -0.78 0.21 0.00 0.00 175.17 176.72 2cpm h ASP 99 N 1.77 0.76 -0.30 0.27 3.58 -2.04 -3.16 116.42 117.29 2cpm h ASP 99 Ca -0.43 -0.34 -0.13 0.00 0.42 0.00 0.00 57.03 56.55 2cpm h ASP 99 Cb 1.25 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 2cpm h ASP 99 CO 0.68 0.92 -0.32 -0.78 -2.88 0.00 0.00 179.24 176.86 2cpm h ASP 100 N 0.58 0.79 -3.66 2.28 3.58 -2.00 -3.41 116.42 114.59 2cpm h ASP 100 Ca 0.11 -0.48 -0.66 0.00 0.42 0.00 0.00 57.03 56.42 2cpm h ASP 100 Cb 0.57 -0.22 -0.16 0.00 1.72 0.00 0.00 39.33 41.23 2cpm h ASP 100 CO 0.03 1.11 -0.24 0.00 -2.88 0.00 0.00 179.24 177.26 2cpm s ARG 102 N 2.09 0.45 0.55 0.00 0.52 -1.26 -3.20 118.95 118.10 2cpm s ARG 102 Ca 0.13 -0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2cpm s ARG 102 Cb -0.16 -1.79 0.02 0.00 0.52 0.00 0.00 34.95 33.54 2cpm s ARG 102 CO 0.12 -0.83 0.81 1.52 0.02 0.00 0.00 175.30 176.94 2cpm s TYR 103 N 1.91 3.13 0.05 -0.53 -0.85 -1.01 -4.56 117.35 115.49 2cpm s TYR 103 Ca 0.05 0.36 0.07 0.00 -0.52 0.00 0.00 57.07 57.03 2cpm s TYR 103 Cb -0.17 -2.65 -0.03 0.00 0.38 0.00 0.00 41.96 39.49 2cpm s TYR 103 CO -0.20 -0.74 -0.16 0.54 -1.52 0.00 0.00 175.55 173.46 2cpm s VAL 104 N -2.83 2.94 0.08 -3.49 0.11 -1.25 -1.36 120.40 114.59 2cpm s VAL 104 Ca 0.53 -1.20 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 2cpm s VAL 104 Cb -0.10 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.44 2cpm s VAL 104 CO 0.41 0.29 -0.13 -0.04 -3.33 0.00 0.00 175.10 172.30 2cpm s MET 105 N -1.62 0.81 0.03 1.54 -1.94 -0.75 -1.59 119.30 115.77 2cpm s MET 105 Ca 0.16 -0.99 0.04 0.00 -1.71 0.00 0.00 55.69 53.19 2cpm s MET 105 Cb -0.11 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 35.99 2cpm s MET 105 CO 0.07 0.15 -0.12 0.96 -0.01 0.00 0.00 175.02 176.07 2cpm s ILE 106 N -1.55 0.90 0.13 2.53 -4.36 -0.16 -1.37 121.20 117.32 2cpm s ILE 106 Ca -0.01 -0.82 0.05 0.00 -0.26 0.00 0.00 60.65 59.61 2cpm s ILE 106 Cb -0.08 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 2cpm s ILE 106 CO 0.02 0.01 -0.11 -0.36 0.24 0.00 0.00 174.94 174.73 2cpm s PHE 107 N -0.73 1.25 0.78 1.37 0.40 0.40 -1.81 117.98 119.64 2cpm s PHE 107 Ca 0.00 -0.68 -0.09 0.00 -0.60 0.00 0.00 56.93 55.57 2cpm s PHE 107 Cb -0.07 -0.65 0.11 0.00 0.51 0.00 0.00 43.02 42.92 2cpm s PHE 107 CO 0.01 0.08 1.11 0.15 0.70 0.00 0.00 175.22 177.27 2cpm s LYS 108 N -3.22 1.72 0.08 0.44 1.02 -0.92 -0.92 119.74 117.94 2cpm s LYS 108 Ca 0.12 -0.35 -0.31 0.00 0.02 0.00 0.00 55.97 55.45 2cpm s LYS 108 Cb -0.01 -2.08 -0.16 0.00 -0.52 0.00 0.00 37.83 35.06 2cpm s LYS 108 CO 0.01 -1.60 1.64 -0.22 -0.92 0.00 0.00 175.35 174.26 2cpm h LYS 109 N -0.91 -0.70 -0.18 1.68 1.63 -1.92 0.66 116.57 116.83 2cpm h LYS 109 Ca -0.44 0.05 -0.21 0.00 -0.85 0.00 0.00 60.65 59.21 2cpm h LYS 109 Cb 1.29 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 33.09 2cpm h LYS 109 CO 0.53 -0.47 -0.70 1.49 -3.45 0.00 0.00 179.45 176.86 2cpm h GLU 110 N -0.73 0.78 -0.74 1.90 4.81 -1.97 -3.01 114.58 115.61 2cpm h GLU 110 Ca -0.06 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2cpm h GLU 110 Cb 0.59 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2cpm h GLU 110 CO 0.07 1.22 0.00 1.19 -0.73 0.00 0.00 179.01 180.76 2cpm n PHE 111 N -3.99 0.61 -2.29 0.92 3.72 -1.19 -4.91 117.46 110.33 2cpm n PHE 111 Ca -0.07 -0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 56.73 2cpm n PHE 111 Cb 0.70 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 2cpm n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cpm s ALA 112 N -1.59 3.12 0.77 4.37 0.00 0.23 -4.16 121.76 124.50 2cpm s ALA 112 Ca 0.17 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 2cpm s ALA 112 Cb 0.13 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.92 2cpm s ALA 112 CO 0.06 -0.55 1.09 -1.25 0.00 0.00 0.00 175.76 175.11 2cpm s PRO 113 N -2.38 2.28 0.37 0.00 0.04 -1.26 -5.01 135.00 129.03 2cpm s PRO 113 Ca 0.58 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2cpm s PRO 113 Cb -0.30 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2cpm s PRO 113 CO 0.38 -1.63 0.56 -1.12 0.04 0.00 0.00 177.00 175.23 2cpm s SER 114 N -3.36 6.09 0.02 6.66 0.01 -1.26 -4.92 113.70 116.93 2cpm s SER 114 Ca 0.61 0.27 -0.09 0.00 1.31 0.00 0.00 55.95 58.05 2cpm s SER 114 Cb -0.17 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 2cpm s SER 114 CO 0.55 -0.44 1.14 -0.78 0.41 0.00 0.00 173.24 174.13 2cpm h ASP 115 N 0.68 -0.36 -0.54 2.44 3.58 -1.99 0.42 116.42 120.66 2cpm h ASP 115 Ca -0.48 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.10 2cpm h ASP 115 Cb 1.24 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 42.33 2cpm h ASP 115 CO 0.59 -0.17 0.07 -0.33 -2.88 0.00 0.00 179.24 176.52 2cpm h GLU 116 N -0.25 0.19 -0.80 0.28 3.07 -2.00 -0.83 114.58 114.24 2cpm h GLU 116 Ca -0.01 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.90 2cpm h GLU 116 Cb 0.22 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.03 2cpm h GLU 116 CO -0.02 0.12 0.47 0.93 -1.40 0.00 0.00 179.01 179.12 2cpm h GLU 117 N 0.19 0.82 -0.19 2.33 4.39 -1.93 -2.16 114.58 118.03 2cpm h GLU 117 Ca 0.28 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.96 2cpm h GLU 117 Cb 0.40 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 2cpm h GLU 117 CO -0.39 0.54 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.88 2cpm h LEU 118 N 0.84 -0.19 -1.06 1.33 3.38 0.13 0.25 115.31 119.99 2cpm h LEU 118 Ca 0.36 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.45 2cpm h LEU 118 Cb 0.22 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2cpm h LEU 118 CO -0.19 -0.07 0.63 -0.78 0.09 0.00 0.00 178.44 178.12 2cpm h ASP 119 N -0.01 1.00 -0.16 -0.43 3.58 -0.92 -2.00 116.42 117.47 2cpm h ASP 119 Ca 0.09 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 2cpm h ASP 119 Cb 0.15 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 2cpm h ASP 119 CO -0.20 0.64 -0.17 -1.28 -2.88 0.00 0.00 179.24 175.35 2cpm h SER 120 N 1.14 0.44 -0.63 2.28 0.87 -0.74 -2.27 113.55 114.63 2cpm h SER 120 Ca 0.42 -0.48 0.11 0.00 -1.23 0.00 0.00 61.79 60.60 2cpm h SER 120 Cb 0.17 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 61.92 2cpm h SER 120 CO -0.16 0.83 0.21 1.88 -0.53 0.00 0.00 176.83 179.06 2cpm h TYR 121 N 0.05 0.35 -0.39 2.24 0.05 -0.06 -0.79 116.97 118.42 2cpm h TYR 121 Ca 0.02 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 2cpm h TYR 121 Cb 0.71 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 2cpm h TYR 121 CO 0.08 0.05 -0.02 0.00 -1.05 0.00 0.00 178.16 177.23 2cpm h ARG 122 N 0.37 0.71 -0.11 4.88 3.08 -1.38 -2.72 114.38 119.21 2cpm h ARG 122 Ca 0.32 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2cpm h ARG 122 Cb 0.44 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2cpm h ARG 122 CO -0.35 0.81 0.09 0.00 -1.07 0.00 0.00 179.97 179.45 2cpm h ARG 123 N 0.53 0.00 0.00 0.04 2.47 -0.69 -3.47 114.38 113.26 2cpm h ARG 123 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2cpm h ARG 123 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2cpm h ARG 123 CO 0.02 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.96 2cpm n GLY 124 N -1.51 0.17 3.24 0.04 0.00 -0.39 -5.10 105.19 101.64 2cpm n GLY 124 Ca -0.00 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 2cpm n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpm s SER 125 N -4.00 2.20 0.00 1.61 0.15 -1.26 -4.09 113.70 108.31 2cpm s SER 125 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2cpm s SER 125 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2cpm s SER 125 CO 0.00 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2cpm n GLY 126 N 1.29 0.48 3.70 9.45 0.00 -1.26 -5.13 105.19 113.71 2cpm n GLY 126 Ca -0.20 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 2cpm n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cpm s PRO 127 N -1.44 0.84 -0.06 1.61 0.04 -1.26 -5.01 135.00 129.72 2cpm s PRO 127 Ca 0.00 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 61.51 2cpm s PRO 127 Cb 0.00 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.61 2cpm s PRO 127 CO 0.00 -2.49 0.80 1.03 0.04 0.00 0.00 177.00 176.37 2cpm h SER 128 N -1.73 -0.15 -6.39 6.66 0.87 -2.05 -3.47 113.55 107.30 2cpm h SER 128 Ca -0.52 -0.39 -0.49 0.00 -1.23 0.00 0.00 61.79 59.16 2cpm h SER 128 Cb 1.31 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 63.23 2cpm h SER 128 CO 0.56 0.44 -0.77 -1.54 -0.53 0.00 0.00 176.83 174.99 2cpm n SER 129 N -4.88 -4.53 0.00 6.23 3.41 -1.26 -5.28 113.62 107.30 2cpm n SER 129 Ca -0.07 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 2cpm n SER 129 Cb 0.26 -3.67 0.00 0.00 -0.26 0.00 0.00 64.21 60.55 2cpm n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49