#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 -0.48 -3.35 1.61 4.64 -2.08 -3.36 113.55 110.52 2cpm h SER 38 Ca 0.00 0.26 -0.57 0.00 -0.47 0.00 0.00 61.79 61.01 2cpm h SER 38 Cb 0.00 0.46 -0.07 0.00 -0.31 0.00 0.00 62.40 62.48 2cpm h SER 38 CO 0.00 -0.30 -0.02 -0.44 -0.87 0.00 0.00 176.83 175.19 2cpm s SER 39 N -5.09 6.82 0.00 4.97 0.01 -1.26 -5.01 113.70 114.13 2cpm s SER 39 Ca -0.13 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2cpm s SER 39 Cb 0.27 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2cpm s SER 39 CO 0.77 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.96 2cpm n GLY 40 N 3.23 1.45 3.86 3.44 0.00 -1.26 -5.16 105.19 110.74 2cpm n GLY 40 Ca -0.04 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.07 6.28 -0.83 1.61 0.01 -1.26 -4.11 113.70 115.33 2cpm s SER 41 Ca 0.00 1.49 -0.04 0.00 1.31 0.00 0.00 55.95 58.71 2cpm s SER 41 Cb 0.00 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2cpm s SER 41 CO 0.00 -0.83 0.72 -0.24 0.41 0.00 0.00 173.24 173.30 2cpm n SER 42 N -2.40 -4.20 -2.64 2.44 2.88 -1.26 -4.96 113.62 103.47 2cpm n SER 42 Ca 0.06 -0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 57.15 2cpm n SER 42 Cb 0.54 -3.36 0.03 0.00 -0.75 0.00 0.00 64.21 60.67 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 -1.38 2.30 3.28 0.46 0.00 -1.26 -5.09 105.19 103.49 2cpm n GLY 43 Ca -0.03 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 2cpm n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpm s GLN 44 N -3.29 1.50 -0.02 1.61 -0.21 -1.26 -5.03 119.66 112.97 2cpm s GLN 44 Ca 0.31 -1.84 -0.11 0.00 0.02 0.00 0.00 55.36 53.73 2cpm s GLN 44 Cb 0.43 0.13 -0.32 0.00 1.00 0.00 0.00 33.01 34.25 2cpm s GLN 44 CO -0.00 -0.48 0.79 0.87 -2.12 0.00 0.00 175.29 174.35 2cpm h LYS 45 N 2.33 0.42 -0.40 2.91 6.56 -2.01 -3.38 116.57 122.99 2cpm h LYS 45 Ca -0.32 -0.71 0.04 0.00 -1.06 0.00 0.00 60.65 58.59 2cpm h LYS 45 Cb 1.24 0.27 -0.05 0.00 -0.57 0.00 0.00 32.23 33.12 2cpm h LYS 45 CO 0.48 1.33 -0.24 0.28 -2.06 0.00 0.00 179.45 179.25 2cpm n VAL 46 N -3.61 -0.27 -0.29 0.50 0.31 -1.26 0.09 118.33 113.80 2cpm n VAL 46 Ca -0.21 1.44 -0.03 0.00 -0.01 0.00 0.00 64.34 65.53 2cpm n VAL 46 Cb 1.08 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2cpm n VAL 46 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cpm n GLU 47 N -3.94 -0.21 -0.03 5.55 -0.58 -1.26 0.62 120.64 120.79 2cpm n GLU 47 Ca 0.01 1.12 -0.12 0.00 -0.42 0.00 0.00 57.16 57.75 2cpm n GLU 47 Cb 0.10 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.25 2cpm n GLU 47 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2cpm h PHE 48 N 0.00 0.18 -0.04 -0.32 3.57 -0.58 -1.94 116.94 117.82 2cpm h PHE 48 Ca 0.22 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2cpm h PHE 48 Cb 0.40 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2cpm h PHE 48 CO -0.67 0.33 -0.11 -0.09 -2.23 0.00 0.00 178.31 175.53 2cpm h ARG 49 N -0.02 -0.11 -0.99 1.11 2.43 0.24 0.24 114.38 117.28 2cpm h ARG 49 Ca 0.04 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.41 2cpm h ARG 49 Cb 0.23 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.71 2cpm h ARG 49 CO -0.00 -0.07 0.62 1.57 -1.51 0.00 0.00 179.97 180.57 2cpm h LYS 50 N -0.11 0.64 -0.34 0.20 2.10 -1.04 -0.14 116.57 117.88 2cpm h LYS 50 Ca 0.01 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2cpm h LYS 50 Cb 0.13 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 2cpm h LYS 50 CO -0.09 0.43 0.22 -0.09 -2.00 0.00 0.00 179.45 177.91 2cpm h ARG 51 N 0.66 0.44 -0.69 0.07 2.43 -0.41 -2.27 114.38 114.60 2cpm h ARG 51 Ca 0.56 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.66 2cpm h ARG 51 Cb 1.01 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 2cpm h ARG 51 CO -0.33 0.29 0.27 0.52 -1.51 0.00 0.00 179.97 179.20 2cpm h MET 52 N 0.45 1.04 -0.48 0.20 2.86 0.12 -2.36 114.93 116.76 2cpm h MET 52 Ca 0.13 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2cpm h MET 52 Cb -0.04 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.40 2cpm h MET 52 CO -0.04 0.87 0.16 0.93 1.06 0.00 0.00 176.91 179.89 2cpm h GLU 53 N 0.99 0.32 -0.15 1.72 5.08 -0.92 0.26 114.58 121.89 2cpm h GLU 53 Ca 0.23 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2cpm h GLU 53 Cb 0.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2cpm h GLU 53 CO -0.02 0.21 0.07 -0.22 -1.00 0.00 0.00 179.01 178.06 2cpm h LYS 54 N 0.33 0.21 0.41 2.33 1.63 -1.21 -2.14 116.57 118.13 2cpm h LYS 54 Ca 0.23 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 2cpm h LYS 54 Cb 0.25 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2cpm h LYS 54 CO -0.24 0.26 -0.20 0.93 -3.45 0.00 0.00 179.45 176.75 2cpm h GLU 55 N 0.11 -0.53 -0.99 1.90 4.39 -0.95 -2.45 114.58 116.05 2cpm h GLU 55 Ca 0.05 0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.91 2cpm h GLU 55 Cb 0.12 0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 28.75 2cpm h GLU 55 CO -0.01 -0.36 -0.48 0.28 -1.16 0.00 0.00 179.01 177.29 2cpm n VAL 56 N -3.61 -0.59 -0.07 3.13 0.31 0.88 -0.79 118.33 117.59 2cpm n VAL 56 Ca -0.07 2.36 -0.12 0.00 -0.01 0.00 0.00 64.34 66.51 2cpm n VAL 56 Cb 0.22 -3.03 -0.06 0.00 -0.91 0.00 0.00 33.84 30.06 2cpm n VAL 56 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2cpm h SER 57 N 0.00 -1.46 -0.88 4.52 0.87 -1.41 0.19 113.55 115.38 2cpm h SER 57 Ca 0.26 0.20 0.23 0.00 -1.23 0.00 0.00 61.79 61.25 2cpm h SER 57 Cb 0.51 0.61 -0.13 0.00 -0.44 0.00 0.00 62.40 62.95 2cpm h SER 57 CO -0.96 -0.41 0.33 -0.78 -0.53 0.00 0.00 176.83 174.48 2cpm h ASP 58 N -0.42 0.19 -0.73 6.23 1.82 -0.45 0.30 116.42 123.36 2cpm h ASP 58 Ca 0.10 0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 56.85 2cpm h ASP 58 Cb 0.61 0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.78 2cpm h ASP 58 CO -0.50 -0.07 0.22 0.15 -1.61 0.00 0.00 179.24 177.43 2cpm h PHE 59 N 0.31 1.19 -0.06 0.28 3.04 -0.06 -2.33 116.94 119.31 2cpm h PHE 59 Ca 0.56 -0.13 0.03 0.00 3.98 0.00 0.00 57.97 62.41 2cpm h PHE 59 Cb 1.10 -0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.23 2cpm h PHE 59 CO -0.19 0.95 -0.14 0.82 -2.02 0.00 0.00 178.31 177.73 2cpm h ILE 60 N 1.10 0.63 -0.71 1.41 2.04 0.11 -2.45 117.51 119.63 2cpm h ILE 60 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2cpm h ILE 60 Cb 0.32 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2cpm h ILE 60 CO -0.01 0.00 0.46 1.56 0.00 0.00 0.00 178.15 180.17 2cpm h GLN 61 N -0.21 0.94 -6.40 2.37 4.20 -1.31 -3.41 115.11 111.29 2cpm h GLN 61 Ca 0.07 -0.06 -0.53 0.00 0.06 0.00 0.00 58.65 58.19 2cpm h GLN 61 Cb 0.30 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 27.90 2cpm h GLN 61 CO -0.19 0.63 1.21 -3.47 -0.67 0.00 0.00 178.83 176.35 2cpm n ASP 62 N -4.58 4.16 -0.07 1.46 -0.08 -0.89 -4.90 116.55 111.66 2cpm n ASP 62 Ca 0.06 0.92 -0.08 0.00 -1.51 0.00 0.00 54.79 54.19 2cpm n ASP 62 Cb 0.02 -1.54 -0.06 0.00 2.34 0.00 0.00 41.12 41.89 2cpm n ASP 62 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2cpm h SER 63 N 10.11 0.00 -1.00 1.67 0.87 -1.82 -3.35 113.55 120.03 2cpm h SER 63 Ca -0.49 -0.37 0.38 0.00 -1.23 0.00 0.00 61.79 60.09 2cpm h SER 63 Cb 1.23 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.03 2cpm h SER 63 CO 0.94 0.81 0.55 1.23 -0.53 0.00 0.00 176.83 179.84 2cpm h GLY 64 N -1.00 2.20 -5.23 5.77 0.00 -1.95 -3.36 103.07 99.49 2cpm h GLY 64 Ca -0.04 -0.18 -0.57 0.00 0.00 0.00 0.00 47.33 46.53 2cpm h GLY 64 CO -0.03 -0.69 0.86 1.20 0.00 0.00 0.00 176.54 177.88 2cpm s GLN 65 N -5.57 4.20 -0.04 4.80 -0.21 -1.26 -4.89 119.66 116.69 2cpm s GLN 65 Ca -0.09 1.46 0.21 0.00 0.02 0.00 0.00 55.36 56.95 2cpm s GLN 65 Cb 0.33 -3.72 -0.28 0.00 1.00 0.00 0.00 33.01 30.34 2cpm s GLN 65 CO 0.78 -0.73 0.46 0.44 -2.12 0.00 0.00 175.29 174.13 2cpm n ILE 66 N 5.47 0.44 -4.07 1.08 -5.35 -1.26 -4.93 119.36 110.74 2cpm n ILE 66 Ca 0.13 -0.60 -0.10 0.00 -0.27 0.00 0.00 62.75 61.91 2cpm n ILE 66 Cb 0.46 -0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 38.11 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 -3.24 1.46 -0.07 6.28 -2.85 -1.26 -2.36 119.74 117.70 2cpm s LYS 67 Ca -0.07 -1.41 -0.03 0.00 -1.00 0.00 0.00 55.97 53.45 2cpm s LYS 67 Cb 0.11 0.40 0.04 0.00 -2.06 0.00 0.00 37.83 36.33 2cpm s LYS 67 CO 0.88 -0.57 0.14 0.21 0.10 0.00 0.00 175.35 176.11 2cpm s LYS 68 N -4.00 0.05 -0.52 1.78 2.47 -0.62 -5.02 119.74 113.89 2cpm s LYS 68 Ca 0.28 0.46 -0.17 0.00 -1.56 0.00 0.00 55.97 54.98 2cpm s LYS 68 Cb 0.02 -0.24 0.09 0.00 -1.46 0.00 0.00 37.83 36.23 2cpm s LYS 68 CO 0.11 -0.24 0.53 0.21 0.16 0.00 0.00 175.35 176.12 2cpm s LYS 69 N 1.76 3.03 0.30 4.03 2.20 -1.26 -2.11 119.74 127.69 2cpm s LYS 69 Ca -0.03 -1.31 -0.22 0.00 -0.36 0.00 0.00 55.97 54.05 2cpm s LYS 69 Cb -0.12 -4.19 -0.09 0.00 -1.51 0.00 0.00 37.83 31.92 2cpm s LYS 69 CO -0.06 -1.24 0.84 -0.06 -0.36 0.00 0.00 175.35 174.47 2cpm s PHE 70 N 2.07 3.59 -0.00 4.03 0.08 -0.83 -5.04 117.98 121.88 2cpm s PHE 70 Ca 0.08 1.55 -0.16 0.00 0.12 0.00 0.00 56.93 58.52 2cpm s PHE 70 Cb -0.24 -2.76 -0.06 0.00 -0.57 0.00 0.00 43.02 39.39 2cpm s PHE 70 CO 0.07 0.20 0.45 -1.14 -0.10 0.00 0.00 175.22 174.70 2cpm s GLN 71 N -2.28 4.04 -0.91 0.44 0.74 -1.26 -3.83 119.66 116.61 2cpm s GLN 71 Ca 0.50 0.48 -0.25 0.00 0.05 0.00 0.00 55.36 56.14 2cpm s GLN 71 Cb -0.16 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 2cpm s GLN 71 CO 0.21 0.60 1.94 -1.25 -0.55 0.00 0.00 175.29 176.24 2cpm s PRO 72 N -0.84 2.56 -0.09 1.67 0.04 -1.26 -4.74 135.00 132.34 2cpm s PRO 72 Ca 0.25 -0.30 -0.13 0.00 0.04 0.00 0.00 61.00 60.86 2cpm s PRO 72 Cb -0.17 -5.07 -0.28 0.00 0.04 0.00 0.00 34.50 29.02 2cpm s PRO 72 CO 0.14 -3.37 0.55 0.52 0.04 0.00 0.00 177.00 174.87 2cpm h MET 73 N 11.26 0.29 -5.10 4.56 2.86 -1.94 -3.49 114.93 123.38 2cpm h MET 73 Ca 0.10 -0.50 -0.57 0.00 -2.06 0.00 0.00 59.70 56.66 2cpm h MET 73 Cb 1.00 0.19 -0.13 0.00 0.06 0.00 0.00 31.60 32.72 2cpm h MET 73 CO 1.21 1.24 -0.53 -0.80 1.06 0.00 0.00 176.91 179.10 2cpm s ASN 74 N -7.12 3.02 -0.03 1.22 0.02 -1.26 -5.06 114.94 105.73 2cpm s ASN 74 Ca -0.19 -1.64 0.14 0.00 -1.02 0.00 0.00 52.86 50.15 2cpm s ASN 74 Cb 0.05 0.43 -0.21 0.00 0.02 0.00 0.00 41.25 41.55 2cpm s ASN 74 CO 0.79 -0.88 0.67 0.29 0.02 0.00 0.00 177.10 177.99 2cpm n LYS 75 N -0.96 0.63 0.03 -0.60 5.02 -1.26 -4.06 118.16 116.97 2cpm n LYS 75 Ca -0.08 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.58 2cpm n LYS 75 Cb 0.66 -1.78 0.04 0.00 -0.02 0.00 0.00 35.03 33.93 2cpm n LYS 75 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2cpm n ILE 76 N -2.98 0.22 -0.13 -0.18 2.08 -1.26 -4.20 119.36 112.91 2cpm n ILE 76 Ca -0.16 -0.27 0.26 0.00 0.56 0.00 0.00 62.75 63.15 2cpm n ILE 76 Cb 1.00 0.12 0.53 0.00 -0.75 0.00 0.00 39.64 40.54 2cpm n ILE 76 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 2cpm h GLU 77 N 0.00 0.00 0.17 0.38 9.09 -1.98 -1.01 114.58 121.23 2cpm h GLU 77 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2cpm h GLU 77 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 2cpm h GLU 77 CO 0.00 0.00 -0.08 -0.09 0.05 0.00 0.00 179.01 178.89 2cpm h ARG 78 N 0.00 -0.22 -0.63 1.06 9.65 -1.84 0.23 114.38 122.63 2cpm h ARG 78 Ca 0.41 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.43 2cpm h ARG 78 Cb 2.41 0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 30.95 2cpm h ARG 78 CO -0.00 -0.14 0.09 1.03 2.80 0.00 0.00 179.97 183.74 2cpm h SER 79 N -0.28 -0.10 0.18 -3.80 0.87 -1.51 0.33 113.55 109.25 2cpm h SER 79 Ca -0.02 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2cpm h SER 79 Cb 0.17 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2cpm h SER 79 CO 0.04 -0.05 -0.09 0.40 -0.53 0.00 0.00 176.83 176.60 2cpm h ILE 80 N 0.20 0.00 -0.56 2.23 2.04 -1.50 -2.30 117.51 117.63 2cpm h ILE 80 Ca 0.34 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 66.27 2cpm h ILE 80 Cb 0.53 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 2cpm h ILE 80 CO -0.47 0.00 -0.34 0.25 0.00 0.00 0.00 178.15 177.59 2cpm h LEU 81 N -0.26 -1.17 -0.71 1.44 5.85 -0.37 -0.29 115.31 119.80 2cpm h LEU 81 Ca -0.02 0.22 0.14 0.00 0.84 0.00 0.00 57.88 59.06 2cpm h LEU 81 Cb 0.18 0.57 -0.13 0.00 0.37 0.00 0.00 40.66 41.65 2cpm h LEU 81 CO 0.04 -0.31 -0.23 0.45 -0.34 0.00 0.00 178.44 178.05 2cpm h HIS 82 N -0.18 -0.54 -0.33 1.25 3.86 -0.39 0.89 115.15 119.69 2cpm h HIS 82 Ca 0.22 0.07 0.07 0.00 -1.16 0.00 0.00 60.37 59.56 2cpm h HIS 82 Cb 0.55 0.35 -0.06 0.00 1.06 0.00 0.00 27.41 29.31 2cpm h HIS 82 CO -0.62 -0.34 -0.07 0.22 0.86 0.00 0.00 177.93 177.98 2cpm h ASP 83 N -0.04 -0.28 -0.16 2.45 1.82 -0.46 -0.03 116.42 119.72 2cpm h ASP 83 Ca 0.33 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 2cpm h ASP 83 Cb 0.55 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 2cpm h ASP 83 CO -0.75 -0.10 0.10 0.58 -1.61 0.00 0.00 179.24 177.46 2cpm h VAL 84 N 0.01 1.04 0.17 2.25 2.07 -0.36 -1.66 116.25 119.78 2cpm h VAL 84 Ca 0.16 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2cpm h VAL 84 Cb 0.24 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2cpm h VAL 84 CO -0.33 0.04 -0.08 0.58 0.02 0.00 0.00 177.57 177.80 2cpm h VAL 85 N 0.21 0.93 -0.62 2.57 2.07 0.73 -1.94 116.25 120.20 2cpm h VAL 85 Ca 0.06 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.71 2cpm h VAL 85 Cb -0.02 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2cpm h VAL 85 CO -0.01 0.20 0.41 1.05 0.02 0.00 0.00 177.57 179.24 2cpm h GLU 86 N -0.72 0.59 -0.37 1.57 4.11 -0.89 -1.19 114.58 117.68 2cpm h GLU 86 Ca -0.02 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.21 2cpm h GLU 86 Cb 0.50 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2cpm h GLU 86 CO 0.04 0.39 -0.39 0.28 0.07 0.00 0.00 179.01 179.40 2cpm h VAL 87 N 0.61 1.27 -0.11 -1.06 2.07 -1.29 -3.05 116.25 114.69 2cpm h VAL 87 Ca 0.27 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 2cpm h VAL 87 Cb 0.28 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2cpm h VAL 87 CO -0.08 0.52 -0.34 0.00 0.02 0.00 0.00 177.57 177.69 2cpm h ALA 88 N 0.80 1.22 0.00 1.67 0.00 -0.48 -3.47 119.26 119.00 2cpm h ALA 88 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2cpm h ALA 88 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2cpm h ALA 88 CO 0.10 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2cpm n GLY 89 N -0.37 1.39 3.46 0.00 0.00 -0.54 -5.10 105.19 104.02 2cpm n GLY 89 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 2.30 -0.05 0.99 1.43 -0.94 -4.83 118.68 117.58 2cpm s LEU 90 Ca 0.00 -1.34 -0.15 0.00 -1.03 0.00 0.00 54.13 51.61 2cpm s LEU 90 Cb 0.00 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 2cpm s LEU 90 CO 0.00 -0.55 0.39 -0.89 0.23 0.00 0.00 176.35 175.53 2cpm s THR 91 N -3.20 5.12 0.03 5.49 2.01 -0.79 -4.16 115.64 120.15 2cpm s THR 91 Ca 0.35 0.79 0.06 0.00 0.31 0.00 0.00 61.69 63.21 2cpm s THR 91 Cb 0.08 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2cpm s THR 91 CO 0.15 0.50 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.45 2cpm s SER 92 N -0.50 2.25 -0.03 3.53 1.04 -1.26 -0.49 113.70 118.23 2cpm s SER 92 Ca 0.23 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 56.02 2cpm s SER 92 Cb -0.16 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.80 2cpm s SER 92 CO 0.11 0.16 0.39 -0.36 0.98 0.00 0.00 173.24 174.52 2cpm s PHE 93 N -0.69 -0.30 -0.35 5.02 0.08 0.16 -5.00 117.98 116.91 2cpm s PHE 93 Ca 0.06 0.51 -0.09 0.00 0.12 0.00 0.00 56.93 57.54 2cpm s PHE 93 Cb -0.08 0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.56 2cpm s PHE 93 CO 0.01 -0.42 0.15 -1.54 -0.10 0.00 0.00 175.22 173.32 2cpm s SER 94 N -1.17 5.51 -0.15 1.36 1.04 -1.26 -0.95 113.70 118.08 2cpm s SER 94 Ca -0.12 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.36 2cpm s SER 94 Cb -0.04 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2cpm s SER 94 CO 0.05 -0.33 -0.17 -0.36 0.98 0.00 0.00 173.24 173.41 2cpm s PHE 95 N 1.50 2.74 -0.02 5.02 0.08 -1.03 -5.01 117.98 121.26 2cpm s PHE 95 Ca 0.01 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 55.96 2cpm s PHE 95 Cb -0.19 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 2cpm s PHE 95 CO 0.05 -0.50 -0.02 0.20 -0.10 0.00 0.00 175.22 174.85 2cpm s GLY 96 N 0.78 0.21 0.12 4.36 0.00 -1.26 -2.83 107.32 108.69 2cpm s GLY 96 Ca -0.07 0.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 2cpm s GLY 96 CO 0.00 0.24 1.33 1.05 0.00 0.00 0.00 173.10 175.72 2cpm h GLU 97 N 6.67 0.72 -4.97 2.90 4.11 -1.92 -3.46 114.58 118.62 2cpm h GLU 97 Ca -0.35 -0.59 -0.32 0.00 0.07 0.00 0.00 59.36 58.17 2cpm h GLU 97 Cb 1.17 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 2cpm h GLU 97 CO 0.49 1.20 -0.69 0.34 0.07 0.00 0.00 179.01 180.42 2cpm s ASP 98 N -7.09 1.62 0.20 3.06 2.15 -1.11 -5.02 116.67 110.48 2cpm s ASP 98 Ca -0.09 -1.08 -0.11 0.00 0.43 0.00 0.00 52.55 51.70 2cpm s ASP 98 Cb 0.09 0.03 0.25 0.00 -0.30 0.00 0.00 42.92 42.99 2cpm s ASP 98 CO 0.89 -0.42 1.71 -0.78 -0.17 0.00 0.00 175.17 176.40 2cpm h ASP 99 N 2.73 0.02 -0.16 -0.34 1.82 -2.04 -2.19 116.42 116.26 2cpm h ASP 99 Ca -0.37 0.10 -0.17 0.00 -0.39 0.00 0.00 57.03 56.20 2cpm h ASP 99 Cb 1.20 0.13 0.01 0.00 0.68 0.00 0.00 39.33 41.34 2cpm h ASP 99 CO 0.64 0.03 -0.56 0.44 -1.61 0.00 0.00 179.24 178.18 2cpm h ASP 100 N 0.26 0.76 -2.98 2.28 3.32 -2.00 -3.40 116.42 114.66 2cpm h ASP 100 Ca 0.29 -0.61 -0.61 0.00 0.02 0.00 0.00 57.03 56.12 2cpm h ASP 100 Cb 0.40 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 39.61 2cpm h ASP 100 CO -0.36 1.24 0.59 0.00 -1.72 0.00 0.00 179.24 178.98 2cpm s ARG 102 N 4.10 0.05 0.28 0.00 0.52 -1.26 -2.74 118.95 119.89 2cpm s ARG 102 Ca 0.28 0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.78 2cpm s ARG 102 Cb -0.14 -0.42 -0.06 0.00 0.52 0.00 0.00 34.95 34.85 2cpm s ARG 102 CO 0.16 -0.23 -0.03 1.52 0.02 0.00 0.00 175.30 176.74 2cpm s TYR 103 N 1.49 1.88 0.01 -0.53 -0.85 -1.13 -4.61 117.35 113.61 2cpm s TYR 103 Ca -0.04 -0.77 0.01 0.00 -0.52 0.00 0.00 57.07 55.75 2cpm s TYR 103 Cb -0.13 -1.10 -0.04 0.00 0.38 0.00 0.00 41.96 41.08 2cpm s TYR 103 CO -0.03 0.18 0.05 0.54 -1.52 0.00 0.00 175.55 174.77 2cpm s VAL 104 N -3.13 4.45 0.05 -3.49 0.11 -1.25 -2.46 120.40 114.68 2cpm s VAL 104 Ca 0.30 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 2cpm s VAL 104 Cb 0.05 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.83 2cpm s VAL 104 CO 0.12 0.32 -0.05 -0.04 -3.33 0.00 0.00 175.10 172.11 2cpm s MET 105 N -1.79 0.56 0.02 1.54 -1.94 -0.12 -1.97 119.30 115.60 2cpm s MET 105 Ca 0.23 -0.99 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 2cpm s MET 105 Cb -0.12 -0.02 -0.01 0.00 2.01 0.00 0.00 34.83 36.69 2cpm s MET 105 CO 0.14 -0.04 -0.05 0.96 -0.01 0.00 0.00 175.02 176.02 2cpm s ILE 106 N -2.66 0.34 0.37 2.53 -4.36 -0.90 -0.66 121.20 115.86 2cpm s ILE 106 Ca -0.02 -0.57 0.04 0.00 -0.26 0.00 0.00 60.65 59.85 2cpm s ILE 106 Cb -0.01 -0.36 -0.06 0.00 1.25 0.00 0.00 42.46 43.28 2cpm s ILE 106 CO -0.04 -0.16 0.05 -0.36 0.24 0.00 0.00 174.94 174.67 2cpm s PHE 107 N -0.72 2.07 0.58 1.37 0.40 0.35 -1.58 117.98 120.45 2cpm s PHE 107 Ca -0.05 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.36 2cpm s PHE 107 Cb -0.06 -1.41 0.05 0.00 0.51 0.00 0.00 43.02 42.12 2cpm s PHE 107 CO -0.00 0.09 0.81 0.15 0.70 0.00 0.00 175.22 176.98 2cpm s LYS 108 N -3.83 2.37 0.05 0.44 1.02 -0.99 -1.88 119.74 116.91 2cpm s LYS 108 Ca 0.32 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 55.18 2cpm s LYS 108 Cb 0.08 -2.47 -0.17 0.00 -0.52 0.00 0.00 37.83 34.75 2cpm s LYS 108 CO 0.15 -0.85 1.54 -0.22 -0.92 0.00 0.00 175.35 175.04 2cpm h LYS 109 N -0.03 -0.06 0.10 1.68 3.64 -1.91 0.58 116.57 120.56 2cpm h LYS 109 Ca -0.40 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.70 2cpm h LYS 109 Cb 1.29 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.15 2cpm h LYS 109 CO 0.49 0.14 -1.19 1.49 -2.27 0.00 0.00 179.45 178.12 2cpm h GLU 110 N -0.25 0.55 -0.70 1.90 4.81 -1.97 -3.19 114.58 115.74 2cpm h GLU 110 Ca -0.01 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 2cpm h GLU 110 Cb 0.23 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2cpm h GLU 110 CO 0.01 1.31 0.00 1.19 -0.73 0.00 0.00 179.01 180.79 2cpm n PHE 111 N -3.75 1.04 -2.32 0.92 3.72 -1.22 -4.94 117.46 110.91 2cpm n PHE 111 Ca -0.12 -0.38 -0.38 0.00 -0.05 0.00 0.00 57.45 56.53 2cpm n PHE 111 Cb 0.96 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 39.22 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 -1.87 3.12 0.58 4.37 0.00 0.20 -4.21 121.76 123.95 2cpm s ALA 112 Ca 0.30 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 2cpm s ALA 112 Cb 0.21 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2cpm s ALA 112 CO 0.11 -0.51 1.12 -1.25 0.00 0.00 0.00 175.76 175.23 2cpm s PRO 113 N -2.37 3.16 0.46 0.00 0.04 -1.26 -5.00 135.00 130.03 2cpm s PRO 113 Ca 0.58 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2cpm s PRO 113 Cb -0.29 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2cpm s PRO 113 CO 0.37 -0.99 0.68 -1.12 0.04 0.00 0.00 177.00 175.98 2cpm s SER 114 N -2.06 5.74 0.03 6.66 0.01 -1.26 -4.90 113.70 117.92 2cpm s SER 114 Ca 0.71 0.19 -0.13 0.00 1.31 0.00 0.00 55.95 58.03 2cpm s SER 114 Cb -0.23 -1.38 -0.06 0.00 0.21 0.00 0.00 66.02 64.57 2cpm s SER 114 CO 0.32 -0.77 1.20 0.44 0.41 0.00 0.00 173.24 174.85 2cpm h ASP 115 N 0.37 -0.53 -0.68 2.44 5.19 -1.99 0.45 116.42 121.67 2cpm h ASP 115 Ca -0.45 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.10 2cpm h ASP 115 Cb 1.26 0.18 -0.07 0.00 0.18 0.00 0.00 39.33 40.88 2cpm h ASP 115 CO 0.56 -0.23 0.31 -0.08 -3.12 0.00 0.00 179.24 176.68 2cpm h GLU 116 N -0.33 0.51 -0.65 3.56 4.22 -2.00 -0.43 114.58 119.46 2cpm h GLU 116 Ca -0.01 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.42 2cpm h GLU 116 Cb 0.30 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2cpm h GLU 116 CO -0.05 0.34 0.43 0.93 -2.18 0.00 0.00 179.01 178.47 2cpm h GLU 117 N 0.53 0.79 0.02 1.92 4.39 -1.89 -2.28 114.58 118.05 2cpm h GLU 117 Ca 0.34 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 2cpm h GLU 117 Cb 0.39 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2cpm h GLU 117 CO -0.29 0.52 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.00 2cpm h LEU 118 N 0.81 -0.03 -0.80 1.33 3.38 0.16 0.38 115.31 120.55 2cpm h LEU 118 Ca 0.25 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2cpm h LEU 118 Cb 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2cpm h LEU 118 CO -0.06 0.17 0.45 -0.78 0.09 0.00 0.00 178.44 178.31 2cpm h ASP 119 N -0.22 0.65 -0.15 -0.43 3.58 -1.04 -2.06 116.42 116.74 2cpm h ASP 119 Ca -0.00 0.04 -0.21 0.00 0.42 0.00 0.00 57.03 57.28 2cpm h ASP 119 Cb 0.21 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.19 2cpm h ASP 119 CO 0.01 0.38 -0.74 0.77 -2.88 0.00 0.00 179.24 176.78 2cpm h SER 120 N 0.77 0.90 -0.93 2.28 4.64 -1.27 -2.04 113.55 117.91 2cpm h SER 120 Ca 0.38 -0.63 0.16 0.00 -0.47 0.00 0.00 61.79 61.23 2cpm h SER 120 Cb 0.33 -0.27 -0.10 0.00 -0.31 0.00 0.00 62.40 62.05 2cpm h SER 120 CO -0.24 1.39 0.52 1.88 -0.87 0.00 0.00 176.83 179.51 2cpm h TYR 121 N 0.48 0.92 0.20 4.77 0.05 0.42 0.23 116.97 124.03 2cpm h TYR 121 Ca -0.05 0.03 -0.31 0.00 0.05 0.00 0.00 58.73 58.46 2cpm h TYR 121 Cb 1.37 -0.27 0.03 0.00 1.01 0.00 0.00 36.73 38.88 2cpm h TYR 121 CO 0.09 0.22 -1.32 0.00 -1.05 0.00 0.00 178.16 176.10 2cpm h ARG 122 N 0.71 0.54 -0.11 4.88 3.08 -1.41 -3.24 114.38 118.83 2cpm h ARG 122 Ca 0.52 -0.85 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2cpm h ARG 122 Cb 0.76 0.31 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 2cpm h ARG 122 CO -0.37 1.40 0.10 -0.09 -1.07 0.00 0.00 179.97 179.94 2cpm h ARG 123 N 0.12 0.00 0.00 0.04 1.12 -0.54 -3.48 114.38 111.64 2cpm h ARG 123 Ca -0.22 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2cpm h ARG 123 Cb 2.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.98 2cpm h ARG 123 CO 0.25 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.52 2cpm n GLY 124 N -1.42 0.15 3.42 2.80 0.00 -0.03 -5.04 105.19 105.08 2cpm n GLY 124 Ca -0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 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 3.47 0.00 1.61 0.15 -1.26 -4.50 113.70 109.17 2cpm s SER 125 Ca 0.00 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2cpm s SER 125 Cb 0.00 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2cpm s SER 125 CO 0.00 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2cpm n GLY 126 N 0.89 -0.22 3.76 9.45 0.00 -1.26 -5.09 105.19 112.72 2cpm n GLY 126 Ca -0.17 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.53 2.13 0.46 1.61 0.04 -1.26 -5.06 135.00 132.38 2cpm s PRO 127 Ca 0.00 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.22 2cpm s PRO 127 Cb 0.00 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2cpm s PRO 127 CO 0.00 -1.72 0.63 -1.12 0.04 0.00 0.00 177.00 174.83 2cpm s SER 128 N -3.40 5.56 -0.02 6.66 0.01 -1.26 -5.13 113.70 116.13 2cpm s SER 128 Ca 0.61 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.60 2cpm s SER 128 Cb -0.17 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.32 2cpm s SER 128 CO 0.56 -0.86 -0.03 -0.55 0.41 0.00 0.00 173.24 172.77 2cpm s SER 129 N -4.36 0.58 0.00 2.44 0.15 -1.26 -5.34 113.70 105.91 2cpm s SER 129 Ca 0.55 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2cpm s SER 129 Cb -0.10 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2cpm s SER 129 CO 0.35 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.39