#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm n SER 38 N 0.00 3.38 -4.77 1.61 7.64 -1.26 -4.95 113.62 115.28 2cpm n SER 38 Ca 0.00 1.17 -0.35 0.00 1.01 0.00 0.00 58.87 60.70 2cpm n SER 38 Cb 0.00 -1.54 0.01 0.00 -1.01 0.00 0.00 64.21 61.67 2cpm n SER 38 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cpm s SER 39 N 0.17 5.56 0.00 6.43 0.15 -1.26 -5.02 113.70 119.73 2cpm s SER 39 Ca 0.61 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.46 2cpm s SER 39 Cb -0.54 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.19 2cpm s SER 39 CO 0.54 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2cpm n GLY 40 N 0.16 -2.24 3.05 9.45 0.00 -1.26 -4.87 105.19 109.48 2cpm n GLY 40 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2cpm n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpm s SER 41 N -2.04 2.34 0.27 1.61 0.15 -1.26 -5.01 113.70 109.76 2cpm s SER 41 Ca 0.00 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.33 2cpm s SER 41 Cb 0.00 -1.05 0.83 0.00 -1.71 0.00 0.00 66.02 64.09 2cpm s SER 41 CO 0.00 0.02 1.23 -0.24 1.20 0.00 0.00 173.24 175.45 2cpm n SER 42 N 4.13 0.10 -4.37 5.45 2.88 -1.26 -4.46 113.62 116.09 2cpm n SER 42 Ca -0.19 1.31 -0.32 0.00 -1.33 0.00 0.00 58.87 58.33 2cpm n SER 42 Cb 0.51 -0.56 0.15 0.00 -0.75 0.00 0.00 64.21 63.56 2cpm n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cpm n GLY 43 N -1.29 -2.16 3.89 0.46 0.00 -1.26 -4.98 105.19 99.84 2cpm n GLY 43 Ca 0.24 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2cpm n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cpm s GLN 44 N -3.62 3.62 0.24 1.61 -2.07 -1.26 -5.00 119.66 113.19 2cpm s GLN 44 Ca 0.57 -0.06 -0.04 0.00 -1.82 0.00 0.00 55.36 54.01 2cpm s GLN 44 Cb -0.18 -2.97 0.45 0.00 -1.09 0.00 0.00 33.01 29.22 2cpm s GLN 44 CO 0.67 0.56 1.73 0.87 -1.32 0.00 0.00 175.29 177.80 2cpm h LYS 45 N 3.42 0.43 -0.71 9.60 6.56 -1.93 -2.51 116.57 131.43 2cpm h LYS 45 Ca -0.48 -0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.16 2cpm h LYS 45 Cb 1.18 -0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 32.65 2cpm h LYS 45 CO 0.69 0.29 -0.38 0.28 -2.06 0.00 0.00 179.45 178.27 2cpm n VAL 46 N -5.00 -0.45 0.08 0.50 0.31 -1.26 0.06 118.33 112.57 2cpm n VAL 46 Ca 0.14 1.71 -0.14 0.00 -0.01 0.00 0.00 64.34 66.04 2cpm n VAL 46 Cb 0.41 -2.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.11 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 -0.58 -0.30 5.55 5.08 -1.87 -1.93 114.58 120.53 2cpm h GLU 47 Ca 0.16 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 2cpm h GLU 47 Cb 0.33 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 2cpm h GLU 47 CO -0.68 -0.39 -0.29 0.35 -1.00 0.00 0.00 179.01 177.00 2cpm h PHE 48 N -0.60 -0.79 -0.55 4.33 3.57 -0.44 -1.96 116.94 120.51 2cpm h PHE 48 Ca 0.04 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.68 2cpm h PHE 48 Cb 0.66 0.39 -0.11 0.00 2.79 0.00 0.00 35.95 39.69 2cpm h PHE 48 CO -0.41 -0.36 -0.36 -0.09 -2.23 0.00 0.00 178.31 174.87 2cpm h ARG 49 N -0.27 -0.19 -0.43 1.11 2.43 -0.35 -0.65 114.38 116.02 2cpm h ARG 49 Ca 0.15 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.42 2cpm h ARG 49 Cb 0.51 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.01 2cpm h ARG 49 CO -0.45 -0.13 -0.22 0.87 -1.51 0.00 0.00 179.97 178.53 2cpm h LYS 50 N -0.20 -0.13 -0.16 0.20 1.57 -0.62 -1.59 116.57 115.64 2cpm h LYS 50 Ca 0.21 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 2cpm h LYS 50 Cb 0.55 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 2cpm h LYS 50 CO -0.65 -0.08 -0.42 -0.09 -0.57 0.00 0.00 179.45 177.63 2cpm h ARG 51 N -0.13 -0.46 -0.75 3.15 2.43 -0.63 -1.08 114.38 116.91 2cpm h ARG 51 Ca 0.21 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.57 2cpm h ARG 51 Cb 0.45 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.00 2cpm h ARG 51 CO -0.52 -0.30 0.21 0.52 -1.51 0.00 0.00 179.97 178.37 2cpm h MET 52 N -0.47 0.29 -0.68 0.20 2.86 -0.66 0.52 114.93 116.98 2cpm h MET 52 Ca 0.08 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.81 2cpm h MET 52 Cb 0.62 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.14 2cpm h MET 52 CO -0.42 0.19 0.29 0.93 1.06 0.00 0.00 176.91 178.97 2cpm h GLU 53 N 0.30 0.47 -0.16 1.72 5.08 -0.28 0.34 114.58 122.06 2cpm h GLU 53 Ca 0.42 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2cpm h GLU 53 Cb 0.72 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2cpm h GLU 53 CO -0.49 0.31 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.59 2cpm h LYS 54 N 0.48 0.28 0.78 2.33 1.63 -0.32 -2.31 116.57 119.45 2cpm h LYS 54 Ca 0.35 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.01 2cpm h LYS 54 Cb 0.44 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2cpm h LYS 54 CO -0.32 0.53 -0.38 0.93 -3.45 0.00 0.00 179.45 176.76 2cpm h GLU 55 N 0.01 -1.01 -0.58 1.90 4.39 -0.49 -1.10 114.58 117.70 2cpm h GLU 55 Ca 0.04 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.89 2cpm h GLU 55 Cb 0.41 0.23 -0.10 0.00 -0.10 0.00 0.00 28.75 29.18 2cpm h GLU 55 CO 0.01 -0.67 -0.47 0.28 -1.16 0.00 0.00 179.01 176.99 2cpm h VAL 56 N -1.09 0.06 -0.02 3.13 2.07 -0.43 -0.43 116.25 119.54 2cpm h VAL 56 Ca -0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2cpm h VAL 56 Cb 0.80 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2cpm h VAL 56 CO 0.18 0.00 -0.37 -1.28 0.02 0.00 0.00 177.57 176.12 2cpm h SER 57 N -0.25 -1.11 -0.93 0.57 0.87 -1.42 -0.74 113.55 110.54 2cpm h SER 57 Ca 0.16 0.14 0.24 0.00 -1.23 0.00 0.00 61.79 61.10 2cpm h SER 57 Cb 0.56 0.44 -0.13 0.00 -0.44 0.00 0.00 62.40 62.84 2cpm h SER 57 CO -0.69 -0.42 0.43 0.44 -0.53 0.00 0.00 176.83 176.07 2cpm h ASP 58 N -0.51 0.37 -0.33 6.23 3.32 -0.21 0.39 116.42 125.68 2cpm h ASP 58 Ca 0.06 0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 2cpm h ASP 58 Cb 0.60 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2cpm h ASP 58 CO -0.30 -0.02 -0.12 0.15 -1.72 0.00 0.00 179.24 177.23 2cpm h PHE 59 N 0.40 0.85 0.13 4.55 3.04 0.11 -2.24 116.94 123.78 2cpm h PHE 59 Ca 0.60 -0.16 0.01 0.00 3.98 0.00 0.00 57.97 62.39 2cpm h PHE 59 Cb 1.17 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.45 2cpm h PHE 59 CO -0.11 0.85 -0.14 0.82 -2.02 0.00 0.00 178.31 177.70 2cpm h ILE 60 N 0.70 0.69 -0.69 1.41 2.04 0.11 -2.78 117.51 118.98 2cpm h ILE 60 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 2cpm h ILE 60 Cb 0.60 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2cpm h ILE 60 CO 0.04 0.00 0.36 1.56 0.00 0.00 0.00 178.15 180.11 2cpm h GLN 61 N -0.30 0.97 -5.96 2.37 4.20 -1.36 -3.40 115.11 111.63 2cpm h GLN 61 Ca 0.01 -0.12 -0.57 0.00 0.06 0.00 0.00 58.65 58.02 2cpm h GLN 61 Cb 0.29 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2cpm h GLN 61 CO -0.04 0.74 1.49 -0.51 -0.67 0.00 0.00 178.83 179.84 2cpm s ASP 62 N -6.04 5.35 0.01 1.46 1.11 -0.85 -4.85 116.67 112.86 2cpm s ASP 62 Ca -0.13 1.69 -0.21 0.00 0.18 0.00 0.00 52.55 54.08 2cpm s ASP 62 Cb 0.14 -2.51 -0.18 0.00 1.07 0.00 0.00 42.92 41.44 2cpm s ASP 62 CO 0.79 -2.08 1.22 -1.28 1.18 0.00 0.00 175.17 175.00 2cpm h SER 63 N 15.50 0.40 -0.91 0.27 0.87 -1.82 -3.25 113.55 124.62 2cpm h SER 63 Ca -0.38 -0.62 0.25 0.00 -1.23 0.00 0.00 61.79 59.82 2cpm h SER 63 Cb 1.23 -0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 62.94 2cpm h SER 63 CO 1.00 0.95 0.33 1.23 -0.53 0.00 0.00 176.83 179.81 2cpm h GLY 64 N -0.13 1.54 -4.90 5.77 0.00 -1.94 -3.37 103.07 100.04 2cpm h GLY 64 Ca -0.01 -0.10 -0.57 0.00 0.00 0.00 0.00 47.33 46.65 2cpm h GLY 64 CO 0.06 -0.38 0.70 1.20 0.00 0.00 0.00 176.54 178.12 2cpm s GLN 65 N -5.87 4.34 -0.20 4.80 -0.21 -1.23 -4.91 119.66 116.38 2cpm s GLN 65 Ca -0.12 1.43 0.17 0.00 0.02 0.00 0.00 55.36 56.87 2cpm s GLN 65 Cb 0.27 -3.60 -0.25 0.00 1.00 0.00 0.00 33.01 30.43 2cpm s GLN 65 CO 0.78 -0.48 0.07 0.44 -2.12 0.00 0.00 175.29 173.97 2cpm n ILE 66 N 4.92 1.40 -4.09 1.08 -5.35 -1.26 -4.92 119.36 111.13 2cpm n ILE 66 Ca 0.11 -0.85 -0.10 0.00 -0.27 0.00 0.00 62.75 61.64 2cpm n ILE 66 Cb 0.47 -0.51 -0.09 0.00 -1.74 0.00 0.00 39.64 37.77 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 -2.49 1.01 -0.14 6.28 -2.85 -1.26 -2.09 119.74 118.20 2cpm s LYS 67 Ca -0.11 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.38 2cpm s LYS 67 Cb 0.06 0.29 0.04 0.00 -2.06 0.00 0.00 37.83 36.16 2cpm s LYS 67 CO 0.82 -0.32 0.37 0.21 0.10 0.00 0.00 175.35 176.53 2cpm s LYS 68 N -4.02 0.42 -0.14 1.78 2.20 -0.44 -5.02 119.74 114.52 2cpm s LYS 68 Ca 0.22 0.55 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 2cpm s LYS 68 Cb 0.06 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2cpm s LYS 68 CO 0.01 -0.07 -0.19 0.21 -0.36 0.00 0.00 175.35 174.95 2cpm s LYS 69 N 0.41 2.72 0.24 4.03 2.20 -1.26 -0.45 119.74 127.64 2cpm s LYS 69 Ca -0.02 -0.74 -0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2cpm s LYS 69 Cb -0.04 -2.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.97 2cpm s LYS 69 CO -0.02 -0.09 0.46 -0.06 -0.36 0.00 0.00 175.35 175.28 2cpm s PHE 70 N 1.02 3.48 -0.03 4.03 0.40 -0.28 -5.02 117.98 121.59 2cpm s PHE 70 Ca -0.04 0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 56.56 2cpm s PHE 70 Cb -0.15 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 2cpm s PHE 70 CO -0.05 0.29 0.41 -1.14 0.70 0.00 0.00 175.22 175.43 2cpm s GLN 71 N -3.52 4.00 -0.94 0.44 0.74 -1.26 -3.58 119.66 115.54 2cpm s GLN 71 Ca 0.40 0.40 -0.24 0.00 0.05 0.00 0.00 55.36 55.97 2cpm s GLN 71 Cb -0.11 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 2cpm s GLN 71 CO 0.30 0.59 1.94 -1.25 -0.55 0.00 0.00 175.29 176.33 2cpm s PRO 72 N -0.75 2.55 -0.04 1.67 0.04 -1.26 -4.75 135.00 132.46 2cpm s PRO 72 Ca 0.24 -0.41 -0.16 0.00 0.04 0.00 0.00 61.00 60.71 2cpm s PRO 72 Cb -0.16 -5.09 -0.32 0.00 0.04 0.00 0.00 34.50 28.97 2cpm s PRO 72 CO 0.12 -3.46 0.78 0.52 0.04 0.00 0.00 177.00 175.00 2cpm h MET 73 N 11.07 0.38 -5.10 4.56 2.86 -1.94 -3.48 114.93 123.28 2cpm h MET 73 Ca 0.11 -0.66 -0.57 0.00 -2.06 0.00 0.00 59.70 56.52 2cpm h MET 73 Cb 1.00 0.24 -0.13 0.00 0.06 0.00 0.00 31.60 32.77 2cpm h MET 73 CO 1.21 1.31 -0.52 -0.80 1.06 0.00 0.00 176.91 179.17 2cpm s ASN 74 N -7.25 3.02 -0.02 1.22 0.01 -1.26 -5.06 114.94 105.59 2cpm s ASN 74 Ca -0.14 -1.64 0.11 0.00 -0.71 0.00 0.00 52.86 50.48 2cpm s ASN 74 Cb 0.04 0.44 -0.23 0.00 0.41 0.00 0.00 41.25 41.91 2cpm s ASN 74 CO 0.86 -0.88 0.74 0.50 -1.51 0.00 0.00 177.10 176.81 2cpm h LYS 75 N 1.74 0.01 0.02 -0.60 3.64 -1.98 -3.38 116.57 116.02 2cpm h LYS 75 Ca -0.38 -0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 58.66 2cpm h LYS 75 Cb 1.28 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2cpm h LYS 75 CO 0.62 0.58 -2.03 -0.89 -2.27 0.00 0.00 179.45 175.45 2cpm n ILE 76 N -3.10 1.57 -0.48 2.00 2.08 -1.26 -4.19 119.36 115.99 2cpm n ILE 76 Ca -0.15 -0.77 0.41 0.00 0.56 0.00 0.00 62.75 62.81 2cpm n ILE 76 Cb 1.04 -1.04 0.76 0.00 -0.75 0.00 0.00 39.64 39.64 2cpm n ILE 76 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2cpm h GLU 77 N 0.01 0.03 -0.14 0.38 3.07 -1.98 0.40 114.58 116.35 2cpm h GLU 77 Ca -0.41 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2cpm h GLU 77 Cb 2.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.97 2cpm h GLU 77 CO 0.05 0.02 0.08 -0.09 -1.40 0.00 0.00 179.01 177.67 2cpm h ARG 78 N 0.03 0.19 0.01 2.33 1.12 -1.76 -1.39 114.38 114.91 2cpm h ARG 78 Ca 0.73 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.58 2cpm h ARG 78 Cb 2.81 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 32.73 2cpm h ARG 78 CO -0.06 0.21 -0.00 1.03 -3.11 0.00 0.00 179.97 178.03 2cpm h SER 79 N 0.13 -0.01 -0.38 -3.80 0.87 -0.47 -2.23 113.55 107.65 2cpm h SER 79 Ca 0.05 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.43 2cpm h SER 79 Cb 0.07 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.95 2cpm h SER 79 CO -0.01 0.26 -0.16 0.40 -0.53 0.00 0.00 176.83 176.79 2cpm h ILE 80 N -0.28 0.49 -0.76 2.23 2.04 -1.38 -1.07 117.51 118.79 2cpm h ILE 80 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2cpm h ILE 80 Cb 0.27 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 2cpm h ILE 80 CO 0.00 0.00 0.47 0.25 0.00 0.00 0.00 178.15 178.87 2cpm h LEU 81 N -0.09 0.76 -0.32 1.44 5.85 -1.23 -2.24 115.31 119.49 2cpm h LEU 81 Ca 0.19 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2cpm h LEU 81 Cb 0.38 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2cpm h LEU 81 CO -0.44 0.51 -0.16 0.45 -0.34 0.00 0.00 178.44 178.46 2cpm h HIS 82 N 0.90 -0.39 -0.68 1.25 3.86 -0.57 0.40 115.15 119.91 2cpm h HIS 82 Ca 0.31 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.57 2cpm h HIS 82 Cb 0.07 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 2cpm h HIS 82 CO -0.04 -0.23 0.44 0.22 0.86 0.00 0.00 177.93 179.18 2cpm h ASP 83 N -0.11 0.76 -0.49 2.45 1.82 -1.02 -0.59 116.42 119.24 2cpm h ASP 83 Ca 0.16 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2cpm h ASP 83 Cb 0.36 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 2cpm h ASP 83 CO -0.39 0.54 0.29 0.58 -1.61 0.00 0.00 179.24 178.65 2cpm h VAL 84 N 0.89 1.15 0.32 2.25 2.07 -0.70 -1.82 116.25 120.41 2cpm h VAL 84 Ca 0.26 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2cpm h VAL 84 Cb -0.07 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2cpm h VAL 84 CO -0.07 0.17 -0.15 0.58 0.02 0.00 0.00 177.57 178.11 2cpm h VAL 85 N 0.70 0.19 -1.06 2.57 2.07 -0.22 -1.59 116.25 118.91 2cpm h VAL 85 Ca 0.18 -0.75 0.29 0.00 0.82 0.00 0.00 66.70 67.24 2cpm h VAL 85 Cb 0.00 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 2cpm h VAL 85 CO -0.03 0.05 0.72 1.05 0.02 0.00 0.00 177.57 179.38 2cpm h GLU 86 N -1.07 0.22 0.03 1.57 -0.00 -1.08 0.13 114.58 114.38 2cpm h GLU 86 Ca -0.04 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.36 59.10 2cpm h GLU 86 Cb 0.41 -0.05 0.02 0.00 -0.00 0.00 0.00 28.75 29.13 2cpm h GLU 86 CO 0.07 0.15 -0.82 0.28 -0.00 0.00 0.00 179.01 178.69 2cpm h VAL 87 N 0.23 1.38 -0.41 -1.06 2.07 -1.36 -3.25 116.25 113.85 2cpm h VAL 87 Ca 0.56 -2.22 0.04 0.00 0.82 0.00 0.00 66.70 65.91 2cpm h VAL 87 Cb 1.75 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 34.11 2cpm h VAL 87 CO -0.18 0.66 0.28 0.00 0.02 0.00 0.00 177.57 178.35 2cpm h ALA 88 N 0.31 1.89 0.00 1.67 0.00 0.27 -3.46 119.26 119.94 2cpm h ALA 88 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cpm h ALA 88 Cb 1.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2cpm h ALA 88 CO 0.16 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2cpm n GLY 89 N -1.51 1.58 3.49 0.00 0.00 -0.52 -5.09 105.19 103.13 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 2.44 0.02 0.99 1.43 -1.15 -4.85 118.68 117.57 2cpm s LEU 90 Ca 0.00 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 51.56 2cpm s LEU 90 Cb 0.00 -0.59 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 2cpm s LEU 90 CO 0.00 -0.49 0.65 -0.89 0.23 0.00 0.00 176.35 175.85 2cpm s THR 91 N -3.06 4.83 -0.01 5.49 2.01 -0.58 -4.28 115.64 120.04 2cpm s THR 91 Ca 0.34 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.77 2cpm s THR 91 Cb 0.08 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2cpm s THR 91 CO 0.15 0.41 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.38 2cpm s SER 92 N -0.23 2.04 -0.19 3.53 1.04 -1.26 -0.76 113.70 117.86 2cpm s SER 92 Ca 0.33 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 2cpm s SER 92 Cb -0.19 -0.22 0.08 0.00 0.10 0.00 0.00 66.02 65.79 2cpm s SER 92 CO 0.19 0.20 0.44 -0.36 0.98 0.00 0.00 173.24 174.69 2cpm s PHE 93 N -0.45 -0.74 -0.23 5.02 0.08 -0.73 -5.00 117.98 115.92 2cpm s PHE 93 Ca 0.06 1.48 -0.27 0.00 0.12 0.00 0.00 56.93 58.32 2cpm s PHE 93 Cb -0.07 0.33 0.00 0.00 -0.57 0.00 0.00 43.02 42.71 2cpm s PHE 93 CO -0.00 -0.42 0.95 -1.54 -0.10 0.00 0.00 175.22 174.10 2cpm s SER 94 N 1.95 7.00 -0.08 1.36 1.04 -1.26 -1.80 113.70 121.91 2cpm s SER 94 Ca -0.06 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.62 2cpm s SER 94 Cb -0.10 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.55 2cpm s SER 94 CO -0.14 -0.59 -0.09 -0.36 0.98 0.00 0.00 173.24 173.05 2cpm s PHE 95 N 2.96 1.34 -0.00 5.02 0.08 -0.82 -4.98 117.98 121.57 2cpm s PHE 95 Ca 0.40 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.89 2cpm s PHE 95 Cb -0.15 -1.08 -0.00 0.00 -0.57 0.00 0.00 43.02 41.21 2cpm s PHE 95 CO 0.07 -0.37 -0.03 0.20 -0.10 0.00 0.00 175.22 174.99 2cpm s GLY 96 N 1.22 0.14 0.09 4.36 0.00 -1.26 -2.63 107.32 109.25 2cpm s GLY 96 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.52 2cpm s GLY 96 CO -0.02 -0.13 1.20 1.05 0.00 0.00 0.00 173.10 175.20 2cpm h GLU 97 N 6.01 0.21 -4.65 2.90 9.09 -1.97 -3.46 114.58 122.70 2cpm h GLU 97 Ca -0.26 -0.34 -0.36 0.00 0.05 0.00 0.00 59.36 58.45 2cpm h GLU 97 Cb 1.20 0.12 -0.27 0.00 -1.65 0.00 0.00 28.75 28.15 2cpm h GLU 97 CO 0.50 1.15 -0.77 0.34 0.05 0.00 0.00 179.01 180.28 2cpm s ASP 98 N -7.03 0.97 0.34 3.06 2.15 -1.21 -4.68 116.67 110.27 2cpm s ASP 98 Ca -0.03 -0.24 0.14 0.00 0.43 0.00 0.00 52.55 52.85 2cpm s ASP 98 Cb 0.08 -0.08 1.01 0.00 -0.30 0.00 0.00 42.92 43.63 2cpm s ASP 98 CO 0.86 0.04 1.71 0.44 -0.17 0.00 0.00 175.17 178.06 2cpm h ASP 99 N 5.62 0.57 -0.46 -0.34 5.19 -2.04 0.28 116.42 125.25 2cpm h ASP 99 Ca -0.31 0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.15 2cpm h ASP 99 Cb 1.19 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 2cpm h ASP 99 CO 0.48 0.02 -0.05 0.44 -3.12 0.00 0.00 179.24 177.01 2cpm h ASP 100 N 0.45 0.83 -3.63 6.45 5.19 -2.00 -3.40 116.42 120.31 2cpm h ASP 100 Ca 0.67 -0.33 -0.69 0.00 -0.62 0.00 0.00 57.03 56.06 2cpm h ASP 100 Cb 1.47 -0.22 -0.22 0.00 0.18 0.00 0.00 39.33 40.53 2cpm h ASP 100 CO -0.48 0.96 -0.52 0.00 -3.12 0.00 0.00 179.24 176.08 2cpm s ARG 102 N 1.62 1.30 0.41 0.00 1.81 -1.26 -3.31 118.95 119.52 2cpm s ARG 102 Ca 0.04 -1.20 0.03 0.00 -1.72 0.00 0.00 55.73 52.89 2cpm s ARG 102 Cb -0.18 -2.55 -0.00 0.00 -0.45 0.00 0.00 34.95 31.77 2cpm s ARG 102 CO 0.07 -0.79 0.60 1.52 -0.68 0.00 0.00 175.30 176.03 2cpm s TYR 103 N 1.36 3.13 0.03 -0.53 -0.85 -1.08 -4.59 117.35 114.81 2cpm s TYR 103 Ca 0.03 0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.65 2cpm s TYR 103 Cb -0.18 -2.24 -0.03 0.00 0.38 0.00 0.00 41.96 39.89 2cpm s TYR 103 CO -0.12 -0.28 -0.20 0.54 -1.52 0.00 0.00 175.55 173.97 2cpm s VAL 104 N -2.42 2.62 0.21 -3.49 0.11 -1.23 -1.95 120.40 114.24 2cpm s VAL 104 Ca 0.48 -1.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.41 2cpm s VAL 104 Cb -0.10 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.64 2cpm s VAL 104 CO 0.35 0.39 -0.07 -0.04 -3.33 0.00 0.00 175.10 172.40 2cpm s MET 105 N -1.26 1.29 -0.04 1.54 -1.94 -0.74 -1.13 119.30 117.02 2cpm s MET 105 Ca 0.13 -1.61 -0.07 0.00 -1.71 0.00 0.00 55.69 52.43 2cpm s MET 105 Cb -0.10 -0.82 0.01 0.00 2.01 0.00 0.00 34.83 35.92 2cpm s MET 105 CO 0.04 0.04 0.16 0.96 -0.01 0.00 0.00 175.02 176.21 2cpm s ILE 106 N -3.22 0.03 0.27 2.53 -4.36 0.41 -1.78 121.20 115.08 2cpm s ILE 106 Ca 0.24 -0.28 0.05 0.00 -0.26 0.00 0.00 60.65 60.39 2cpm s ILE 106 Cb 0.03 -0.33 -0.06 0.00 1.25 0.00 0.00 42.46 43.35 2cpm s ILE 106 CO 0.06 -0.16 -0.02 -0.36 0.24 0.00 0.00 174.94 174.70 2cpm s PHE 107 N -0.52 1.80 0.60 1.37 0.40 0.06 -1.32 117.98 120.36 2cpm s PHE 107 Ca -0.06 -0.82 -0.02 0.00 -0.60 0.00 0.00 56.93 55.43 2cpm s PHE 107 Cb -0.04 -1.05 0.04 0.00 0.51 0.00 0.00 43.02 42.47 2cpm s PHE 107 CO 0.01 0.12 0.86 0.15 0.70 0.00 0.00 175.22 177.06 2cpm s LYS 108 N -3.80 2.53 0.06 0.44 1.02 -0.89 -1.52 119.74 117.58 2cpm s LYS 108 Ca 0.30 -0.47 -0.25 0.00 0.02 0.00 0.00 55.97 55.57 2cpm s LYS 108 Cb 0.05 -2.36 -0.17 0.00 -0.52 0.00 0.00 37.83 34.84 2cpm s LYS 108 CO 0.11 -0.84 1.59 -0.22 -0.92 0.00 0.00 175.35 175.07 2cpm h LYS 109 N -0.16 -0.19 -0.08 1.68 3.64 -1.90 0.90 116.57 120.46 2cpm h LYS 109 Ca -0.44 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 58.72 2cpm h LYS 109 Cb 1.29 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2cpm h LYS 109 CO 0.57 -0.03 -0.89 1.49 -2.27 0.00 0.00 179.45 178.32 2cpm h GLU 110 N -0.30 0.70 -0.69 1.90 4.57 -1.97 -3.11 114.58 115.68 2cpm h GLU 110 Ca -0.02 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 2cpm h GLU 110 Cb 0.24 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2cpm h GLU 110 CO 0.03 1.25 0.00 1.19 -1.18 0.00 0.00 179.01 180.30 2cpm n PHE 111 N -3.88 1.12 -2.31 0.92 3.72 -1.20 -4.94 117.46 110.88 2cpm n PHE 111 Ca -0.08 -0.40 -0.38 0.00 -0.05 0.00 0.00 57.45 56.53 2cpm n PHE 111 Cb 0.80 -0.28 -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 -1.93 3.12 0.61 4.37 0.00 0.31 -4.25 121.76 123.99 2cpm s ALA 112 Ca 0.32 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 2cpm s ALA 112 Cb 0.23 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2cpm s ALA 112 CO 0.11 -0.52 1.12 -1.25 0.00 0.00 0.00 175.76 175.22 2cpm s PRO 113 N -2.39 3.02 0.54 0.00 0.04 -1.26 -5.01 135.00 129.93 2cpm s PRO 113 Ca 0.58 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 2cpm s PRO 113 Cb -0.29 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2cpm s PRO 113 CO 0.37 -1.09 0.79 -1.12 0.04 0.00 0.00 177.00 175.99 2cpm s SER 114 N -2.27 5.57 0.02 6.66 0.01 -1.26 -4.89 113.70 117.54 2cpm s SER 114 Ca 0.69 0.39 -0.10 0.00 1.31 0.00 0.00 55.95 58.24 2cpm s SER 114 Cb -0.22 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 2cpm s SER 114 CO 0.36 -0.97 1.15 -0.78 0.41 0.00 0.00 173.24 173.41 2cpm h ASP 115 N 0.07 -0.36 -0.70 2.44 3.58 -1.99 0.39 116.42 119.84 2cpm h ASP 115 Ca -0.45 0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.15 2cpm h ASP 115 Cb 1.27 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 42.34 2cpm h ASP 115 CO 0.58 -0.20 0.24 -0.33 -2.88 0.00 0.00 179.24 176.65 2cpm h GLU 116 N -0.32 0.37 -0.75 0.28 5.08 -2.01 -0.53 114.58 116.72 2cpm h GLU 116 Ca -0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2cpm h GLU 116 Cb 0.26 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2cpm h GLU 116 CO 0.01 0.25 0.49 0.93 -1.00 0.00 0.00 179.01 179.69 2cpm h GLU 117 N 0.38 0.96 -0.05 2.33 4.39 -1.93 -2.41 114.58 118.24 2cpm h GLU 117 Ca 0.38 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 60.05 2cpm h GLU 117 Cb 0.57 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 2cpm h GLU 117 CO -0.40 0.63 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.85 2cpm h LEU 118 N 0.99 -0.49 -0.28 1.33 3.38 0.14 0.60 115.31 120.98 2cpm h LEU 118 Ca 0.28 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.38 2cpm h LEU 118 Cb -0.08 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2cpm h LEU 118 CO -0.07 -0.22 -0.07 -0.78 0.09 0.00 0.00 178.44 177.39 2cpm h ASP 119 N -0.24 -0.26 0.11 -0.43 1.82 -1.18 -1.27 116.42 114.97 2cpm h ASP 119 Ca 0.07 0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.72 2cpm h ASP 119 Cb 0.34 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2cpm h ASP 119 CO -0.20 -0.09 -0.26 -1.28 -1.61 0.00 0.00 179.24 175.80 2cpm h SER 120 N -0.00 0.26 -0.63 2.28 0.87 -1.04 -2.40 113.55 112.89 2cpm h SER 120 Ca 0.13 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2cpm h SER 120 Cb 0.21 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2cpm h SER 120 CO -0.29 0.53 0.40 1.88 -0.53 0.00 0.00 176.83 178.82 2cpm h TYR 121 N 0.23 0.75 -0.15 2.24 0.05 0.13 -0.58 116.97 119.65 2cpm h TYR 121 Ca 0.04 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 2cpm h TYR 121 Cb 0.60 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2cpm h TYR 121 CO 0.01 0.44 -0.26 0.00 -1.05 0.00 0.00 178.16 177.30 2cpm h ARG 122 N 0.80 0.44 -0.10 4.88 3.08 -1.18 -3.07 114.38 119.24 2cpm h ARG 122 Ca 0.25 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2cpm h ARG 122 Cb -0.02 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2cpm h ARG 122 CO -0.09 0.87 0.07 0.00 -1.07 0.00 0.00 179.97 179.76 2cpm h ARG 123 N 0.06 0.00 -2.68 0.04 -0.00 -1.19 -3.14 114.38 107.47 2cpm h ARG 123 Ca 0.01 0.00 -0.49 0.00 -0.50 0.00 0.00 59.98 59.00 2cpm h ARG 123 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.81 2cpm h ARG 123 CO 0.06 0.00 2.33 0.41 0.00 0.00 0.00 179.97 182.77 2cpm n GLY 124 N -1.51 3.74 3.12 0.04 0.00 -0.25 -4.70 105.19 105.65 2cpm n GLY 124 Ca -0.01 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 2cpm n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpm s SER 125 N 2.17 -0.14 0.00 1.61 1.04 -1.19 -5.01 113.70 112.18 2cpm s SER 125 Ca 0.67 0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2cpm s SER 125 Cb 0.22 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2cpm s SER 125 CO -0.04 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2cpm n GLY 126 N 2.22 1.38 3.77 7.32 0.00 -1.26 -4.35 105.19 114.27 2cpm n GLY 126 Ca -0.17 0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 4.02 0.45 1.61 0.04 -1.26 -5.05 135.00 134.81 2cpm s PRO 127 Ca 0.00 1.88 0.07 0.00 0.04 0.00 0.00 61.00 62.99 2cpm s PRO 127 Cb 0.00 -2.67 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 2cpm s PRO 127 CO 0.00 -0.36 0.42 -1.12 0.04 0.00 0.00 177.00 175.99 2cpm s SER 128 N -1.09 5.01 0.02 6.66 0.01 -1.26 -4.88 113.70 118.16 2cpm s SER 128 Ca 0.57 -0.83 -0.06 0.00 1.31 0.00 0.00 55.95 56.95 2cpm s SER 128 Cb -0.32 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.57 2cpm s SER 128 CO 0.40 -0.79 0.10 -0.94 0.41 0.00 0.00 173.24 172.42 2cpm s SER 129 N -4.21 0.11 0.00 2.44 1.04 -1.26 -5.16 113.70 106.66 2cpm s SER 129 Ca 0.47 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2cpm s SER 129 Cb -0.03 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2cpm s SER 129 CO 0.28 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.70