#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm h SER 38 N 0.00 0.00 -0.22 1.61 0.02 -2.09 -3.39 113.55 109.47 2cpm h SER 38 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2cpm h SER 38 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2cpm h SER 38 CO 0.00 0.62 -0.41 0.28 -1.14 0.00 0.00 176.83 176.18 2cpm h SER 39 N -0.93 -1.31 -3.66 3.07 0.02 -2.11 -3.41 113.55 105.21 2cpm h SER 39 Ca 0.00 0.19 -0.42 0.00 -0.84 0.00 0.00 61.79 60.71 2cpm h SER 39 Cb 0.31 0.55 -0.32 0.00 0.14 0.00 0.00 62.40 63.08 2cpm h SER 39 CO 0.00 -0.40 -0.78 -0.83 -1.14 0.00 0.00 176.83 173.68 2cpm s GLY 40 N -2.61 0.50 0.16 -3.77 0.00 -1.26 -5.15 107.32 95.20 2cpm s GLY 40 Ca -0.15 -0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.40 2cpm s GLY 40 CO 0.65 0.10 0.01 -0.45 0.00 0.00 0.00 173.10 173.41 2cpm s SER 41 N 0.45 4.89 0.01 1.64 0.15 -1.26 -0.20 113.70 119.39 2cpm s SER 41 Ca -0.07 -0.33 -0.24 0.00 0.70 0.00 0.00 55.95 56.01 2cpm s SER 41 Cb -0.11 -1.09 -0.18 0.00 -1.71 0.00 0.00 66.02 62.93 2cpm s SER 41 CO 0.01 0.10 1.36 -1.28 1.20 0.00 0.00 173.24 174.63 2cpm h SER 42 N 2.83 0.10 -2.06 5.45 0.87 -2.01 -3.48 113.55 115.25 2cpm h SER 42 Ca -0.47 -0.41 0.21 0.00 -1.23 0.00 0.00 61.79 59.88 2cpm h SER 42 Cb 1.19 -0.03 -0.33 0.00 -0.44 0.00 0.00 62.40 62.79 2cpm h SER 42 CO 0.59 0.49 0.82 -0.83 -0.53 0.00 0.00 176.83 177.37 2cpm s GLY 43 N -3.10 0.56 0.15 5.77 0.00 -1.26 -5.19 107.32 104.25 2cpm s GLY 43 Ca -0.15 3.76 -0.01 0.00 0.00 0.00 0.00 44.72 48.32 2cpm s GLY 43 CO 0.69 2.44 0.06 1.20 0.00 0.00 0.00 173.10 177.49 2cpm s GLN 44 N 0.61 0.99 -0.17 2.90 -1.52 -1.26 -5.08 119.66 116.14 2cpm s GLN 44 Ca -0.02 -1.48 -0.14 0.00 -1.95 0.00 0.00 55.36 51.77 2cpm s GLN 44 Cb -0.03 0.17 -0.23 0.00 -0.22 0.00 0.00 33.01 32.70 2cpm s GLN 44 CO -0.12 -0.26 0.29 1.63 -0.25 0.00 0.00 175.29 176.58 2cpm n LYS 45 N -0.14 0.66 -0.30 2.91 5.02 -1.26 -4.32 118.16 120.74 2cpm n LYS 45 Ca -0.05 0.42 0.03 0.00 -2.02 0.00 0.00 58.31 56.69 2cpm n LYS 45 Cb 0.64 -1.73 0.08 0.00 -0.02 0.00 0.00 35.03 34.00 2cpm n LYS 45 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cpm n VAL 46 N -3.98 -0.37 -0.03 -0.18 0.31 -1.26 0.51 118.33 113.34 2cpm n VAL 46 Ca -0.32 1.86 -0.10 0.00 -0.01 0.00 0.00 64.34 65.77 2cpm n VAL 46 Cb 0.86 -2.52 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 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 -0.32 -0.15 5.55 5.08 -2.01 -1.85 114.58 120.87 2cpm h GLU 47 Ca 0.34 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 2cpm h GLU 47 Cb 0.55 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2cpm h GLU 47 CO -0.82 -0.22 -0.08 0.35 -1.00 0.00 0.00 179.01 177.25 2cpm h PHE 48 N -0.34 -0.18 -0.68 4.33 3.57 -0.13 -2.39 116.94 121.13 2cpm h PHE 48 Ca 0.12 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.77 2cpm h PHE 48 Cb 0.52 0.10 -0.13 0.00 2.79 0.00 0.00 35.95 39.23 2cpm h PHE 48 CO -0.42 -0.12 -0.18 -0.09 -2.23 0.00 0.00 178.31 175.27 2cpm h ARG 49 N -0.06 -0.01 0.28 1.11 2.43 -0.53 -0.16 114.38 117.44 2cpm h ARG 49 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2cpm h ARG 49 Cb 0.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2cpm h ARG 49 CO -0.19 -0.01 -0.28 0.87 -1.51 0.00 0.00 179.97 178.85 2cpm h LYS 50 N -0.01 -0.57 -0.68 0.20 1.57 -0.91 -1.41 116.57 114.77 2cpm h LYS 50 Ca 0.32 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.28 2cpm h LYS 50 Cb 0.50 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.84 2cpm h LYS 50 CO -0.70 -0.38 0.13 -0.09 -0.57 0.00 0.00 179.45 177.84 2cpm h ARG 51 N -0.59 0.23 -0.63 3.15 2.43 -0.76 -0.10 114.38 118.12 2cpm h ARG 51 Ca -0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2cpm h ARG 51 Cb 0.54 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 2cpm h ARG 51 CO -0.06 0.15 0.40 0.52 -1.51 0.00 0.00 179.97 179.47 2cpm h MET 52 N 0.24 0.76 -0.57 0.20 2.86 -0.69 -0.64 114.93 117.10 2cpm h MET 52 Ca 0.37 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 58.05 2cpm h MET 52 Cb 0.61 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.03 2cpm h MET 52 CO -0.49 0.50 0.19 0.93 1.06 0.00 0.00 176.91 179.11 2cpm h GLU 53 N 0.78 0.35 -0.15 1.72 5.08 0.08 0.27 114.58 122.72 2cpm h GLU 53 Ca 0.25 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2cpm h GLU 53 Cb -0.01 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2cpm h GLU 53 CO -0.09 0.23 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.89 2cpm h LYS 54 N 0.37 0.29 0.77 2.33 1.63 -0.97 -2.31 116.57 118.67 2cpm h LYS 54 Ca 0.28 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2cpm h LYS 54 Cb 0.35 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2cpm h LYS 54 CO -0.30 0.58 -0.47 0.93 -3.45 0.00 0.00 179.45 176.74 2cpm h GLU 55 N -0.02 -1.12 -0.12 1.90 5.08 -0.60 -0.73 114.58 118.97 2cpm h GLU 55 Ca 0.04 0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2cpm h GLU 55 Cb 0.48 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2cpm h GLU 55 CO 0.02 -0.75 -0.53 0.28 -1.00 0.00 0.00 179.01 177.02 2cpm h VAL 56 N -1.17 0.01 -0.13 3.13 2.07 -0.55 -1.71 116.25 117.91 2cpm h VAL 56 Ca -0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2cpm h VAL 56 Cb 0.94 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2cpm h VAL 56 CO 0.10 0.00 -0.53 -1.28 0.02 0.00 0.00 177.57 175.88 2cpm h SER 57 N -0.59 -1.68 -0.95 0.57 0.87 -1.39 -0.30 113.55 110.07 2cpm h SER 57 Ca 0.03 0.20 0.29 0.00 -1.23 0.00 0.00 61.79 61.09 2cpm h SER 57 Cb 0.69 0.66 -0.16 0.00 -0.44 0.00 0.00 62.40 63.14 2cpm h SER 57 CO -0.43 -0.48 0.26 -0.78 -0.53 0.00 0.00 176.83 174.88 2cpm h ASP 58 N -0.58 -0.04 -0.11 6.23 3.58 -0.76 0.31 116.42 125.06 2cpm h ASP 58 Ca 0.04 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2cpm h ASP 58 Cb 0.68 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2cpm h ASP 58 CO -0.43 -0.28 0.02 0.15 -2.88 0.00 0.00 179.24 175.83 2cpm h PHE 59 N 0.11 0.18 -0.39 0.28 3.04 -0.19 -2.07 116.94 117.91 2cpm h PHE 59 Ca 0.65 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.65 2cpm h PHE 59 Cb 1.44 -0.05 -0.09 0.00 2.56 0.00 0.00 35.95 39.81 2cpm h PHE 59 CO -0.26 0.35 -0.29 0.82 -2.02 0.00 0.00 178.31 176.90 2cpm h ILE 60 N -0.04 0.27 -0.86 1.41 2.04 0.95 -0.32 117.51 120.97 2cpm h ILE 60 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 2cpm h ILE 60 Cb 0.26 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2cpm h ILE 60 CO 0.00 0.00 0.52 1.56 0.00 0.00 0.00 178.15 180.23 2cpm h GLN 61 N -0.23 1.16 -6.25 2.37 4.20 -1.33 -3.41 115.11 111.62 2cpm h GLN 61 Ca 0.18 -0.10 -0.55 0.00 0.06 0.00 0.00 58.65 58.24 2cpm h GLN 61 Cb 0.52 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2cpm h GLN 61 CO -0.52 0.81 1.27 -0.51 -0.67 0.00 0.00 178.83 179.21 2cpm s ASP 62 N -6.27 6.22 -0.14 1.46 1.11 -0.13 -4.88 116.67 114.04 2cpm s ASP 62 Ca -0.12 2.32 -0.24 0.00 0.18 0.00 0.00 52.55 54.70 2cpm s ASP 62 Cb 0.17 -2.53 -0.25 0.00 1.07 0.00 0.00 42.92 41.39 2cpm s ASP 62 CO 0.81 -1.28 0.61 -1.28 1.18 0.00 0.00 175.17 175.20 2cpm h SER 63 N 11.59 0.14 -1.01 0.27 0.87 -1.80 -3.35 113.55 120.25 2cpm h SER 63 Ca -0.45 -0.84 0.30 0.00 -1.23 0.00 0.00 61.79 59.57 2cpm h SER 63 Cb 1.22 -0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 63.00 2cpm h SER 63 CO 0.95 1.29 0.59 1.23 -0.53 0.00 0.00 176.83 180.37 2cpm h GLY 64 N -0.71 1.96 -6.04 5.77 0.00 -1.95 -3.36 103.07 98.74 2cpm h GLY 64 Ca -0.16 -0.26 -0.60 0.00 0.00 0.00 0.00 47.33 46.31 2cpm h GLY 64 CO -0.02 -0.40 0.23 1.20 0.00 0.00 0.00 176.54 177.55 2cpm s GLN 65 N -5.68 4.18 -0.12 4.80 -0.21 -1.26 -4.93 119.66 116.45 2cpm s GLN 65 Ca -0.10 0.70 0.11 0.00 0.02 0.00 0.00 55.36 56.09 2cpm s GLN 65 Cb 0.29 -3.61 -0.24 0.00 1.00 0.00 0.00 33.01 30.45 2cpm s GLN 65 CO 0.79 -0.36 0.37 0.44 -2.12 0.00 0.00 175.29 174.41 2cpm n ILE 66 N 4.98 1.55 -4.19 1.08 -5.35 -1.26 -4.90 119.36 111.27 2cpm n ILE 66 Ca 0.01 -0.78 -0.12 0.00 -0.27 0.00 0.00 62.75 61.59 2cpm n ILE 66 Cb 0.49 -0.96 -0.10 0.00 -1.74 0.00 0.00 39.64 37.33 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 -2.55 1.13 -0.15 6.28 -2.85 -1.26 -2.37 119.74 117.96 2cpm s LYS 67 Ca -0.11 -1.58 -0.06 0.00 -1.00 0.00 0.00 55.97 53.23 2cpm s LYS 67 Cb 0.07 0.22 0.07 0.00 -2.06 0.00 0.00 37.83 36.13 2cpm s LYS 67 CO 0.80 -0.34 0.32 0.21 0.10 0.00 0.00 175.35 176.44 2cpm s LYS 68 N -4.11 0.23 -0.32 1.78 2.20 -0.80 -5.02 119.74 113.69 2cpm s LYS 68 Ca 0.34 0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 56.58 2cpm s LYS 68 Cb 0.07 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2cpm s LYS 68 CO 0.09 -0.24 0.43 0.21 -0.36 0.00 0.00 175.35 175.47 2cpm s LYS 69 N 2.17 3.71 0.68 4.03 2.20 -1.26 -1.63 119.74 129.64 2cpm s LYS 69 Ca -0.02 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.34 2cpm s LYS 69 Cb -0.11 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.49 2cpm s LYS 69 CO -0.10 -0.51 0.98 -0.06 -0.36 0.00 0.00 175.35 175.31 2cpm s PHE 70 N 2.18 2.98 -0.04 4.03 0.08 0.15 -5.02 117.98 122.35 2cpm s PHE 70 Ca 0.15 0.47 0.06 0.00 0.12 0.00 0.00 56.93 57.73 2cpm s PHE 70 Cb -0.16 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.18 2cpm s PHE 70 CO 0.12 -1.27 -0.21 -0.65 -0.10 0.00 0.00 175.22 173.10 2cpm s GLN 71 N -5.18 2.39 -1.17 0.44 -0.21 -1.26 -4.12 119.66 110.55 2cpm s GLN 71 Ca 0.59 -0.84 -0.23 0.00 0.02 0.00 0.00 55.36 54.90 2cpm s GLN 71 Cb -0.11 -2.20 -0.09 0.00 1.00 0.00 0.00 33.01 31.61 2cpm s GLN 71 CO 0.45 0.53 1.94 -1.25 -2.12 0.00 0.00 175.29 174.83 2cpm s PRO 72 N -0.51 2.50 0.03 2.91 0.04 -1.26 -4.70 135.00 134.00 2cpm s PRO 72 Ca 0.07 -1.13 -0.17 0.00 0.04 0.00 0.00 61.00 59.80 2cpm s PRO 72 Cb -0.11 -5.24 -0.25 0.00 0.04 0.00 0.00 34.50 28.94 2cpm s PRO 72 CO 0.01 -3.96 1.10 0.52 0.04 0.00 0.00 177.00 174.71 2cpm h MET 73 N 9.79 0.53 -5.09 4.56 2.86 -1.96 -3.48 114.93 122.14 2cpm h MET 73 Ca 0.21 -0.62 -0.57 0.00 -2.06 0.00 0.00 59.70 56.66 2cpm h MET 73 Cb 0.94 0.19 -0.13 0.00 0.06 0.00 0.00 31.60 32.66 2cpm h MET 73 CO 1.22 1.24 -0.52 -0.80 1.06 0.00 0.00 176.91 179.11 2cpm s ASN 74 N -7.06 2.98 -0.05 1.22 -0.87 -1.26 -5.07 114.94 104.84 2cpm s ASN 74 Ca -0.12 -1.64 -0.01 0.00 -1.57 0.00 0.00 52.86 49.52 2cpm s ASN 74 Cb 0.05 0.44 -0.26 0.00 -0.02 0.00 0.00 41.25 41.45 2cpm s ASN 74 CO 0.87 -0.88 0.65 0.11 -2.57 0.00 0.00 177.10 175.28 2cpm h LYS 75 N 1.75 0.21 0.09 -0.60 1.79 -1.99 -3.39 116.57 114.43 2cpm h LYS 75 Ca -0.37 -0.35 -0.34 0.00 -2.18 0.00 0.00 60.65 57.41 2cpm h LYS 75 Cb 1.28 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.04 2cpm h LYS 75 CO 0.61 1.02 -1.83 0.82 -1.08 0.00 0.00 179.45 178.99 2cpm h ILE 76 N 0.06 0.78 -1.32 1.86 1.08 -2.02 -3.36 117.51 114.59 2cpm h ILE 76 Ca -0.31 -2.52 0.45 0.00 -0.39 0.00 0.00 64.86 62.08 2cpm h ILE 76 Cb 2.03 2.53 -0.12 0.00 -3.07 0.00 0.00 36.82 38.19 2cpm h ILE 76 CO 0.12 0.77 0.86 -0.62 -0.69 0.00 0.00 178.15 178.59 2cpm n GLU 77 N -3.36 -0.03 0.10 2.37 1.02 -1.26 0.46 120.64 119.94 2cpm n GLU 77 Ca -0.25 1.13 -0.13 0.00 -0.02 0.00 0.00 57.16 57.89 2cpm n GLU 77 Cb 1.05 -2.26 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2cpm h ARG 78 N 0.00 -0.50 -0.12 3.49 9.65 -1.77 0.11 114.38 125.23 2cpm h ARG 78 Ca 0.81 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.72 2cpm h ARG 78 Cb 2.69 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 31.37 2cpm h ARG 78 CO -0.38 -0.33 0.04 1.03 2.80 0.00 0.00 179.97 183.13 2cpm h SER 79 N -0.52 0.18 -0.08 -3.80 0.87 -0.25 -2.23 113.55 107.72 2cpm h SER 79 Ca 0.04 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2cpm h SER 79 Cb 0.57 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 2cpm h SER 79 CO -0.21 0.31 -0.39 0.40 -0.53 0.00 0.00 176.83 176.41 2cpm h ILE 80 N 0.03 0.19 -0.79 2.23 2.04 -1.19 -1.45 117.51 118.57 2cpm h ILE 80 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 2cpm h ILE 80 Cb 0.20 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 2cpm h ILE 80 CO -0.00 0.00 0.42 0.25 0.00 0.00 0.00 178.15 178.82 2cpm h LEU 81 N -0.50 0.56 -0.71 1.44 5.85 -0.77 -1.32 115.31 119.86 2cpm h LEU 81 Ca 0.07 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.97 2cpm h LEU 81 Cb 0.61 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 2cpm h LEU 81 CO -0.35 0.31 0.29 0.45 -0.34 0.00 0.00 178.44 178.80 2cpm h HIS 82 N 0.69 0.51 -0.10 1.25 3.86 -0.65 0.12 115.15 120.82 2cpm h HIS 82 Ca 0.39 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2cpm h HIS 82 Cb 0.42 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 2cpm h HIS 82 CO -0.08 0.10 0.05 0.22 0.86 0.00 0.00 177.93 179.07 2cpm h ASP 83 N 0.46 0.13 -0.98 2.45 3.58 -0.54 0.31 116.42 121.84 2cpm h ASP 83 Ca 0.38 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.71 2cpm h ASP 83 Cb 0.52 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 2cpm h ASP 83 CO -0.36 0.23 0.65 0.58 -2.88 0.00 0.00 179.24 177.46 2cpm h VAL 84 N 0.03 1.22 0.55 2.25 2.07 -0.86 -1.78 116.25 119.72 2cpm h VAL 84 Ca 0.03 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2cpm h VAL 84 Cb 0.13 -0.19 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2cpm h VAL 84 CO -0.00 0.24 -0.26 0.58 0.02 0.00 0.00 177.57 178.14 2cpm h VAL 85 N 1.30 0.00 -1.22 2.57 2.07 -0.59 -1.04 116.25 119.34 2cpm h VAL 85 Ca 0.37 -0.36 0.35 0.00 0.82 0.00 0.00 66.70 67.88 2cpm h VAL 85 Cb -0.10 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.60 2cpm h VAL 85 CO -0.10 0.00 0.83 1.05 0.02 0.00 0.00 177.57 179.38 2cpm h GLU 86 N -1.10 0.14 0.06 1.57 4.11 -0.90 0.43 114.58 118.91 2cpm h GLU 86 Ca -0.08 -0.01 -0.28 0.00 0.07 0.00 0.00 59.36 59.06 2cpm h GLU 86 Cb 0.57 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.81 2cpm h GLU 86 CO 0.12 0.09 -1.15 0.28 0.07 0.00 0.00 179.01 178.43 2cpm h VAL 87 N 0.15 1.28 -0.48 -1.06 2.07 -1.26 -3.25 116.25 113.70 2cpm h VAL 87 Ca 0.64 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.82 2cpm h VAL 87 Cb 2.17 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 34.46 2cpm h VAL 87 CO -0.17 0.72 0.32 0.00 0.02 0.00 0.00 177.57 178.46 2cpm h ALA 88 N 0.35 1.74 0.00 1.67 0.00 0.12 -3.46 119.26 119.68 2cpm h ALA 88 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2cpm h ALA 88 Cb 1.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2cpm h ALA 88 CO 0.22 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2cpm n GLY 89 N -1.48 1.58 3.48 0.00 0.00 -0.69 -5.10 105.19 102.99 2cpm n GLY 89 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 2.23 -0.27 0.99 1.43 -1.20 -4.76 118.68 117.11 2cpm s LEU 90 Ca 0.00 -1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 51.58 2cpm s LEU 90 Cb 0.00 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.76 2cpm s LEU 90 CO 0.00 -0.63 0.18 -0.89 0.23 0.00 0.00 176.35 175.23 2cpm s THR 91 N -3.22 5.27 0.17 5.49 2.01 -1.03 -4.28 115.64 120.06 2cpm s THR 91 Ca 0.34 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.59 2cpm s THR 91 Cb 0.08 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2cpm s THR 91 CO 0.15 0.28 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.67 2cpm s SER 92 N 1.59 4.03 -0.24 3.53 0.15 -1.26 0.11 113.70 121.60 2cpm s SER 92 Ca 0.07 -0.64 -0.18 0.00 0.70 0.00 0.00 55.95 55.91 2cpm s SER 92 Cb -0.15 -0.60 0.07 0.00 -1.71 0.00 0.00 66.02 63.63 2cpm s SER 92 CO 0.09 0.12 0.61 -0.36 1.20 0.00 0.00 173.24 174.90 2cpm s PHE 93 N -1.62 -0.81 -0.50 3.44 0.08 -0.14 -4.99 117.98 113.43 2cpm s PHE 93 Ca 0.23 1.78 -0.20 0.00 0.12 0.00 0.00 56.93 58.86 2cpm s PHE 93 Cb -0.09 0.39 0.05 0.00 -0.57 0.00 0.00 43.02 42.80 2cpm s PHE 93 CO 0.13 -0.40 0.66 -1.12 -0.10 0.00 0.00 175.22 174.39 2cpm s SER 94 N 0.98 6.25 -0.18 1.36 0.01 -1.26 -0.15 113.70 120.70 2cpm s SER 94 Ca -0.05 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.40 2cpm s SER 94 Cb -0.05 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2cpm s SER 94 CO -0.09 -0.91 -0.06 -0.36 0.41 0.00 0.00 173.24 172.23 2cpm s PHE 95 N 2.80 2.94 -0.02 2.43 0.08 0.10 -4.93 117.98 121.38 2cpm s PHE 95 Ca 0.18 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.55 2cpm s PHE 95 Cb -0.18 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 2cpm s PHE 95 CO 0.14 -0.33 -0.01 0.20 -0.10 0.00 0.00 175.22 175.12 2cpm s GLY 96 N 0.92 0.23 0.15 4.36 0.00 -1.26 -1.51 107.32 110.21 2cpm s GLY 96 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 2cpm s GLY 96 CO 0.01 0.40 1.39 -2.09 0.00 0.00 0.00 173.10 172.80 2cpm h GLU 97 N 6.94 0.53 -6.40 2.90 4.81 -1.96 -3.46 114.58 117.94 2cpm h GLU 97 Ca -0.39 -0.44 -0.62 0.00 -0.13 0.00 0.00 59.36 57.78 2cpm h GLU 97 Cb 1.15 0.09 -0.18 0.00 0.63 0.00 0.00 28.75 30.45 2cpm h GLU 97 CO 0.49 1.07 -0.80 -0.51 -0.73 0.00 0.00 179.01 178.52 2cpm s ASP 98 N -7.03 3.29 0.27 1.04 1.11 -1.15 -5.02 116.67 109.17 2cpm s ASP 98 Ca -0.07 -0.89 -0.01 0.00 0.18 0.00 0.00 52.55 51.76 2cpm s ASP 98 Cb 0.10 -0.24 0.53 0.00 1.07 0.00 0.00 42.92 44.38 2cpm s ASP 98 CO 0.86 0.07 1.79 -0.78 1.18 0.00 0.00 175.17 178.30 2cpm h ASP 99 N 3.08 0.69 0.03 0.27 3.58 -2.05 -2.01 116.42 120.01 2cpm h ASP 99 Ca -0.44 0.07 -0.22 0.00 0.42 0.00 0.00 57.03 56.85 2cpm h ASP 99 Cb 1.22 -0.05 0.02 0.00 1.72 0.00 0.00 39.33 42.23 2cpm h ASP 99 CO 0.50 0.33 -0.90 0.44 -2.88 0.00 0.00 179.24 176.74 2cpm h ASP 100 N 0.77 0.73 -3.50 2.28 5.19 -1.98 -3.42 116.42 116.49 2cpm h ASP 100 Ca 0.47 -0.78 -0.62 0.00 -0.62 0.00 0.00 57.03 55.48 2cpm h ASP 100 Cb 0.57 -0.23 -0.13 0.00 0.18 0.00 0.00 39.33 39.73 2cpm h ASP 100 CO -0.31 1.42 0.41 0.00 -3.12 0.00 0.00 179.24 177.64 2cpm s ARG 102 N 3.45 0.39 0.38 0.00 0.52 -1.26 -2.96 118.95 119.47 2cpm s ARG 102 Ca 0.30 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2cpm s ARG 102 Cb -0.13 -1.71 -0.00 0.00 0.52 0.00 0.00 34.95 33.63 2cpm s ARG 102 CO 0.21 -0.85 0.54 1.52 0.02 0.00 0.00 175.30 176.74 2cpm s TYR 103 N 1.95 3.10 0.03 -0.53 -0.85 -0.57 -4.54 117.35 115.93 2cpm s TYR 103 Ca 0.05 -0.13 0.08 0.00 -0.52 0.00 0.00 57.07 56.55 2cpm s TYR 103 Cb -0.17 -2.13 -0.03 0.00 0.38 0.00 0.00 41.96 40.02 2cpm s TYR 103 CO -0.21 -0.16 -0.24 0.54 -1.52 0.00 0.00 175.55 173.95 2cpm s VAL 104 N -2.30 2.30 0.20 -3.49 0.11 -1.26 0.01 120.40 115.98 2cpm s VAL 104 Ca 0.47 -1.27 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 2cpm s VAL 104 Cb -0.10 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2cpm s VAL 104 CO 0.33 0.41 -0.14 -0.04 -3.33 0.00 0.00 175.10 172.33 2cpm s MET 105 N -1.15 1.31 0.02 1.54 -1.94 0.78 -0.67 119.30 119.19 2cpm s MET 105 Ca 0.12 -1.57 0.01 0.00 -1.71 0.00 0.00 55.69 52.54 2cpm s MET 105 Cb -0.10 -1.09 -0.02 0.00 2.01 0.00 0.00 34.83 35.64 2cpm s MET 105 CO 0.02 0.18 -0.05 0.96 -0.01 0.00 0.00 175.02 176.12 2cpm s ILE 106 N -2.97 0.31 0.23 2.53 -4.36 -0.64 -0.97 121.20 115.33 2cpm s ILE 106 Ca 0.22 -0.79 0.03 0.00 -0.26 0.00 0.00 60.65 59.84 2cpm s ILE 106 Cb -0.01 -0.38 -0.05 0.00 1.25 0.00 0.00 42.46 43.27 2cpm s ILE 106 CO 0.06 -0.32 0.02 -0.36 0.24 0.00 0.00 174.94 174.59 2cpm s PHE 107 N -1.10 1.53 0.69 1.37 0.40 0.12 -1.90 117.98 119.08 2cpm s PHE 107 Ca -0.10 -1.00 -0.04 0.00 -0.60 0.00 0.00 56.93 55.20 2cpm s PHE 107 Cb -0.08 -0.89 0.08 0.00 0.51 0.00 0.00 43.02 42.64 2cpm s PHE 107 CO -0.00 -0.13 0.97 0.15 0.70 0.00 0.00 175.22 176.91 2cpm s LYS 108 N -3.91 2.01 0.04 0.44 1.02 -1.00 -2.45 119.74 115.89 2cpm s LYS 108 Ca 0.30 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.38 2cpm s LYS 108 Cb 0.06 -2.28 -0.17 0.00 -0.52 0.00 0.00 37.83 34.93 2cpm s LYS 108 CO 0.09 -1.26 1.50 -0.22 -0.92 0.00 0.00 175.35 174.54 2cpm h LYS 109 N -0.49 -0.22 -0.07 1.68 3.64 -1.91 0.64 116.57 119.84 2cpm h LYS 109 Ca -0.41 0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 58.76 2cpm h LYS 109 Cb 1.29 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2cpm h LYS 109 CO 0.50 0.00 -0.84 1.49 -2.27 0.00 0.00 179.45 178.34 2cpm h GLU 110 N -0.42 0.69 -0.70 1.90 4.22 -1.97 -3.12 114.58 115.17 2cpm h GLU 110 Ca -0.02 -0.65 0.00 0.00 0.08 0.00 0.00 59.36 58.77 2cpm h GLU 110 Cb 0.33 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2cpm h GLU 110 CO 0.04 1.25 0.00 1.19 -2.18 0.00 0.00 179.01 179.31 2cpm n PHE 111 N -3.97 0.96 -2.33 0.92 3.01 -1.22 -4.93 117.46 109.90 2cpm n PHE 111 Ca -0.09 -0.35 -0.38 0.00 1.01 0.00 0.00 57.45 57.64 2cpm n PHE 111 Cb 0.78 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 39.98 2cpm n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cpm s ALA 112 N -1.82 3.11 0.75 4.37 0.00 0.22 -4.23 121.76 124.17 2cpm s ALA 112 Ca 0.28 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 2cpm s ALA 112 Cb 0.20 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 20.00 2cpm s ALA 112 CO 0.10 -0.51 1.09 -1.25 0.00 0.00 0.00 175.76 175.20 2cpm s PRO 113 N -2.41 2.34 0.32 0.00 0.04 -1.26 -5.00 135.00 129.04 2cpm s PRO 113 Ca 0.58 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.89 2cpm s PRO 113 Cb -0.29 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2cpm s PRO 113 CO 0.36 -1.58 0.46 -1.12 0.04 0.00 0.00 177.00 175.16 2cpm s SER 114 N -3.26 6.03 0.02 6.66 0.01 -1.26 -4.93 113.70 116.97 2cpm s SER 114 Ca 0.62 -0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.69 2cpm s SER 114 Cb -0.18 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 2cpm s SER 114 CO 0.54 -0.38 1.13 -0.78 0.41 0.00 0.00 173.24 174.16 2cpm h ASP 115 N 0.92 -0.34 -0.61 2.44 3.58 -1.99 0.44 116.42 120.86 2cpm h ASP 115 Ca -0.47 0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.12 2cpm h ASP 115 Cb 1.25 0.11 -0.08 0.00 1.72 0.00 0.00 39.33 42.33 2cpm h ASP 115 CO 0.55 -0.16 0.16 -0.33 -2.88 0.00 0.00 179.24 176.58 2cpm h GLU 116 N -0.24 0.30 -0.78 0.28 5.08 -2.00 -0.81 114.58 116.40 2cpm h GLU 116 Ca -0.01 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2cpm h GLU 116 Cb 0.21 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2cpm h GLU 116 CO -0.02 0.20 0.48 0.93 -1.00 0.00 0.00 179.01 179.60 2cpm h GLU 117 N 0.30 0.87 -0.08 2.33 4.39 -1.93 -2.25 114.58 118.21 2cpm h GLU 117 Ca 0.32 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.00 2cpm h GLU 117 Cb 0.46 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2cpm h GLU 117 CO -0.38 0.58 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.87 2cpm h LEU 118 N 0.90 -0.33 -0.92 1.33 3.38 0.13 0.40 115.31 120.20 2cpm h LEU 118 Ca 0.33 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.46 2cpm h LEU 118 Cb 0.12 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2cpm h LEU 118 CO -0.16 -0.15 0.57 -0.78 0.09 0.00 0.00 178.44 178.02 2cpm h ASP 119 N -0.15 0.86 -0.29 -0.43 1.82 -1.03 -1.81 116.42 115.38 2cpm h ASP 119 Ca 0.07 0.03 -0.19 0.00 -0.39 0.00 0.00 57.03 56.56 2cpm h ASP 119 Cb 0.24 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.11 2cpm h ASP 119 CO -0.17 0.51 -0.55 0.28 -1.61 0.00 0.00 179.24 177.70 2cpm h SER 120 N 0.97 0.99 -0.79 2.28 0.02 -0.81 -1.77 113.55 114.44 2cpm h SER 120 Ca 0.43 -0.53 0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2cpm h SER 120 Cb 0.32 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 2cpm h SER 120 CO -0.22 1.33 0.42 1.88 -1.14 0.00 0.00 176.83 179.11 2cpm h TYR 121 N 0.68 0.76 -0.01 3.45 0.05 0.59 0.40 116.97 122.90 2cpm h TYR 121 Ca 0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2cpm h TYR 121 Cb 1.16 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.68 2cpm h TYR 121 CO 0.07 0.28 -0.11 0.00 -1.05 0.00 0.00 178.16 177.35 2cpm h ARG 122 N 0.70 0.09 -0.09 4.88 3.08 -1.38 -3.23 114.38 118.43 2cpm h ARG 122 Ca 0.39 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.38 2cpm h ARG 122 Cb 0.40 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2cpm h ARG 122 CO -0.27 0.81 0.07 0.00 -1.07 0.00 0.00 179.97 179.51 2cpm h ARG 123 N -0.60 0.00 0.00 0.04 2.47 -0.98 -3.38 114.38 111.94 2cpm h ARG 123 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2cpm h ARG 123 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 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 -1.43 3.61 0.04 0.00 0.14 -4.63 105.19 101.40 2cpm n GLY 124 Ca -0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2cpm n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cpm n SER 125 N 0.00 -5.67 0.00 1.61 2.88 -1.25 -4.80 113.62 106.39 2cpm n SER 125 Ca 0.00 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 2cpm n SER 125 Cb 0.00 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 58.53 2cpm n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cpm n GLY 126 N -1.88 3.52 0.25 0.46 0.00 -1.26 -4.89 105.19 101.38 2cpm n GLY 126 Ca -0.03 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.48 2cpm n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpm h PRO 127 N 0.00 0.00 -0.72 1.61 0.13 -1.98 -3.29 132.00 127.75 2cpm h PRO 127 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 2cpm h PRO 127 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2cpm h PRO 127 CO 0.00 0.15 -0.57 1.03 -0.23 0.00 0.00 178.00 178.38 2cpm h SER 128 N 0.00 -2.02 -3.85 1.44 0.87 -1.93 -3.41 113.55 104.65 2cpm h SER 128 Ca -0.00 0.29 -0.45 0.00 -1.23 0.00 0.00 61.79 60.40 2cpm h SER 128 Cb 0.60 0.87 0.15 0.00 -0.44 0.00 0.00 62.40 63.58 2cpm h SER 128 CO 0.02 -0.31 0.38 -0.44 -0.53 0.00 0.00 176.83 175.95 2cpm s SER 129 N -5.28 3.38 0.00 6.23 0.01 -1.24 -5.24 113.70 111.56 2cpm s SER 129 Ca -0.13 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2cpm s SER 129 Cb 0.10 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2cpm s SER 129 CO 0.61 -2.56 0.00 0.61 0.41 0.00 0.00 173.24 172.31