#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rho s ALA 60 N 0.00 3.10 -0.04 2.33 0.00 -1.26 -5.07 121.76 120.82 1rho s ALA 60 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 1rho s ALA 60 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1rho s ALA 60 CO 0.00 -1.50 1.15 0.08 0.00 0.00 0.00 175.76 175.49 1rho s VAL 61 N 1.34 4.36 -0.14 0.00 1.01 -1.26 -4.94 120.40 120.77 1rho s VAL 61 Ca 0.01 1.68 0.28 0.00 0.00 0.00 0.00 61.98 63.94 1rho s VAL 61 Cb -0.21 -4.08 0.35 0.00 0.00 0.00 0.00 36.38 32.44 1rho s VAL 61 CO 0.01 0.03 1.80 0.28 0.00 0.00 0.00 175.10 177.21 1rho h SER 62 N 7.26 0.00 -4.31 3.32 0.02 -2.10 -3.44 113.55 114.29 1rho h SER 62 Ca -0.35 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.43 1rho h SER 62 Cb 1.17 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.47 1rho h SER 62 CO 0.86 0.03 -0.54 0.00 -1.14 0.00 0.00 176.83 176.03 1rho s ALA 63 N -3.45 -0.31 0.16 3.77 0.00 -1.26 -5.16 121.76 115.52 1rho s ALA 63 Ca 0.04 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 1rho s ALA 63 Cb 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.04 1rho s ALA 63 CO 0.61 -0.13 0.84 -0.51 0.00 0.00 0.00 175.76 176.58 1rho s ASP 64 N -0.57 7.45 0.41 0.00 1.01 -1.26 -4.97 116.67 118.74 1rho s ASP 64 Ca -0.07 1.72 0.12 0.00 0.71 0.00 0.00 52.55 55.04 1rho s ASP 64 Cb -0.04 -2.54 0.87 0.00 1.01 0.00 0.00 42.92 42.22 1rho s ASP 64 CO 0.01 0.14 1.93 -0.65 0.21 0.00 0.00 175.17 176.80 1rho h PRO 65 N 4.61 0.09 -2.03 8.23 0.11 -2.01 -3.47 132.00 137.54 1rho h PRO 65 Ca -0.46 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.23 1rho h PRO 65 Cb 1.20 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1rho h PRO 65 CO 0.68 0.29 -0.45 0.09 -0.21 0.00 0.00 178.00 178.40 1rho n ASN 66 N -4.26 -5.58 -4.57 -2.05 3.02 -1.26 -4.98 115.26 95.57 1rho n ASN 66 Ca -0.02 0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.34 1rho n ASN 66 Cb 0.28 -4.71 -0.09 0.00 -0.61 0.00 0.00 39.78 34.65 1rho n ASN 66 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1rho s VAL 67 N -2.89 5.17 0.65 2.41 -7.23 -1.26 -5.05 120.40 112.20 1rho s VAL 67 Ca 0.00 0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 1rho s VAL 67 Cb 0.00 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 1rho s VAL 67 CO 0.00 0.01 1.25 -2.84 -0.31 0.00 0.00 175.10 173.21 1rho s PRO 68 N 2.06 2.57 0.26 4.82 0.02 -1.26 -4.92 135.00 138.55 1rho s PRO 68 Ca 0.13 1.93 -0.04 0.00 0.02 0.00 0.00 61.00 63.04 1rho s PRO 68 Cb -0.16 -1.87 0.33 0.00 0.02 0.00 0.00 34.50 32.82 1rho s PRO 68 CO 0.11 -1.54 1.86 -0.97 -0.33 0.00 0.00 177.00 176.13 1rho h ASN 69 N 0.45 0.95 -3.21 2.53 -0.00 -1.97 -3.40 115.58 110.93 1rho h ASN 69 Ca -0.50 -0.11 -0.67 0.00 -0.00 0.00 0.00 56.30 55.02 1rho h ASN 69 Cb 1.32 -0.24 -0.32 0.00 -0.00 0.00 0.00 38.32 39.07 1rho h ASN 69 CO 0.53 0.81 -0.82 -0.69 -0.00 0.00 0.00 177.43 177.26 1rho s VAL 70 N -5.57 2.44 -0.29 2.57 1.01 -1.26 -0.22 120.40 119.08 1rho s VAL 70 Ca -0.11 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1rho s VAL 70 Cb 0.16 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.59 1rho s VAL 70 CO 0.81 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 175.69 1rho s VAL 71 N 1.05 2.27 -0.31 2.92 1.01 -0.57 -4.97 120.40 121.80 1rho s VAL 71 Ca -0.01 -1.86 -0.29 0.00 0.00 0.00 0.00 61.98 59.83 1rho s VAL 71 Cb -0.14 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1rho s VAL 71 CO -0.05 -0.22 1.06 -0.69 0.00 0.00 0.00 175.10 175.20 1rho s VAL 72 N 1.05 4.54 -0.15 2.92 1.01 -1.26 -0.68 120.40 127.83 1rho s VAL 72 Ca -0.02 1.75 0.17 0.00 0.00 0.00 0.00 61.98 63.88 1rho s VAL 72 Cb -0.20 -4.39 -0.24 0.00 0.00 0.00 0.00 36.38 31.54 1rho s VAL 72 CO -0.06 -0.44 0.30 0.35 0.00 0.00 0.00 175.10 175.25 1rho n THR 73 N 5.79 1.33 -3.55 3.92 -2.24 0.11 -4.45 114.28 115.19 1rho n THR 73 Ca 0.12 -0.81 -0.06 0.00 -2.27 0.00 0.00 64.05 61.03 1rho n THR 73 Cb 0.47 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1rho n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rho s GLY 74 N -5.28 -0.39 -0.04 3.38 0.00 -0.60 -1.22 107.32 103.17 1rho s GLY 74 Ca -0.08 1.23 0.06 0.00 0.00 0.00 0.00 44.72 45.93 1rho s GLY 74 CO 0.83 0.41 -0.24 -2.27 0.00 0.00 0.00 173.10 171.83 1rho s LEU 75 N -2.38 2.04 -0.05 0.66 0.20 -0.93 -0.46 118.68 117.76 1rho s LEU 75 Ca 0.07 -0.46 -0.03 0.00 0.69 0.00 0.00 54.13 54.40 1rho s LEU 75 Cb -0.01 -1.27 0.03 0.00 -0.43 0.00 0.00 46.19 44.51 1rho s LEU 75 CO -0.07 0.25 0.12 -0.89 -0.29 0.00 0.00 176.35 175.47 1rho s THR 76 N -0.28 -0.03 -0.39 3.68 2.01 0.08 -0.40 115.64 120.31 1rho s THR 76 Ca 0.01 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.95 1rho s THR 76 Cb -0.12 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.21 1rho s THR 76 CO 0.02 0.05 0.48 -0.76 -0.69 0.00 0.00 174.62 173.71 1rho s LEU 77 N 0.74 4.60 -0.62 4.42 1.02 -0.94 0.14 118.68 128.04 1rho s LEU 77 Ca -0.06 -0.39 -0.25 0.00 0.02 0.00 0.00 54.13 53.46 1rho s LEU 77 Cb -0.08 -2.49 0.05 0.00 0.02 0.00 0.00 46.19 43.69 1rho s LEU 77 CO -0.03 -0.55 1.06 -0.69 0.02 0.00 0.00 176.35 176.15 1rho s VAL 78 N 2.30 4.18 -0.21 -1.59 1.01 0.16 -4.70 120.40 121.54 1rho s VAL 78 Ca 0.15 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1rho s VAL 78 Cb -0.16 -4.69 0.07 0.00 0.00 0.00 0.00 36.38 31.61 1rho s VAL 78 CO 0.14 -1.40 0.10 0.00 0.00 0.00 0.00 175.10 173.94 1rho h SER 80 N 8.41 0.43 0.72 0.00 0.02 -1.94 -2.80 113.55 118.40 1rho h SER 80 Ca -0.17 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.61 1rho h SER 80 Cb 1.10 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1rho h SER 80 CO 0.35 0.23 -0.91 0.28 -1.14 0.00 0.00 176.83 175.63 1rho h SER 81 N 0.46 0.16 -2.05 3.07 0.02 -1.96 -3.46 113.55 109.80 1rho h SER 81 Ca 0.37 -0.14 -0.62 0.00 -0.84 0.00 0.00 61.79 60.56 1rho h SER 81 Cb 0.78 -0.05 0.05 0.00 0.14 0.00 0.00 62.40 63.31 1rho h SER 81 CO -0.12 0.99 0.80 0.00 -1.14 0.00 0.00 176.83 177.35 1rho n ALA 82 N -2.43 0.67 0.31 3.77 0.00 -1.06 -4.91 120.51 116.86 1rho n ALA 82 Ca -0.03 0.42 0.16 0.00 0.00 0.00 0.00 53.44 53.99 1rho n ALA 82 Cb 0.84 -2.32 0.62 0.00 0.00 0.00 0.00 19.45 18.60 1rho n ALA 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rho h PRO 83 N 6.45 0.00 0.00 0.00 0.13 -1.90 -3.46 132.00 133.22 1rho h PRO 83 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 1rho h PRO 83 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1rho h PRO 83 CO 0.88 0.00 -0.14 0.41 -0.23 0.00 0.00 178.00 178.92 1rho n GLY 84 N 0.07 3.21 3.73 1.56 0.00 -1.26 -5.16 105.19 107.34 1rho n GLY 84 Ca 0.01 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1rho n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rho s PRO 85 N -2.48 2.38 -0.36 1.61 0.04 -1.26 -5.02 135.00 129.91 1rho s PRO 85 Ca 0.15 1.81 0.14 0.00 0.04 0.00 0.00 61.00 63.14 1rho s PRO 85 Cb 0.00 -1.86 0.42 0.00 0.04 0.00 0.00 34.50 33.10 1rho s PRO 85 CO 0.11 -1.66 1.02 1.28 0.04 0.00 0.00 177.00 177.78 1rho n LEU 86 N -2.37 0.32 -4.34 -3.56 4.32 -1.26 -5.04 117.00 105.06 1rho n LEU 86 Ca 0.14 -3.88 -0.31 0.00 -0.02 0.00 0.00 56.01 51.94 1rho n LEU 86 Cb 0.50 0.42 -0.15 0.00 -1.62 0.00 0.00 43.42 42.57 1rho n LEU 86 CO 0.47 1.80 -0.54 -0.70 -1.22 0.00 0.00 177.39 177.19 1rho s GLU 87 N -2.02 2.28 -0.27 3.23 2.12 -1.26 -2.22 118.70 120.56 1rho s GLU 87 Ca 0.28 -0.87 -0.07 0.00 0.36 0.00 0.00 54.97 54.67 1rho s GLU 87 Cb 0.42 -2.14 -0.01 0.00 0.26 0.00 0.00 34.13 32.65 1rho s GLU 87 CO -0.02 0.54 0.07 -0.51 -0.54 0.00 0.00 175.26 174.80 1rho s LEU 88 N -0.56 3.58 -0.57 2.70 1.43 0.46 -4.98 118.68 120.73 1rho s LEU 88 Ca 0.08 -0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 52.47 1rho s LEU 88 Cb -0.11 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.26 1rho s LEU 88 CO 0.00 -0.10 1.12 -0.62 0.23 0.00 0.00 176.35 176.98 1rho s ASP 89 N 1.55 6.42 0.00 2.29 2.15 -1.26 -2.18 116.67 125.64 1rho s ASP 89 Ca 0.05 -0.02 0.23 0.00 0.43 0.00 0.00 52.55 53.23 1rho s ASP 89 Cb -0.16 -2.52 1.11 0.00 -0.30 0.00 0.00 42.92 41.05 1rho s ASP 89 CO 0.02 -1.41 1.75 0.18 -0.17 0.00 0.00 175.17 175.54 1rho n LEU 90 N 8.18 0.74 -0.31 -1.34 4.77 -0.36 -3.08 117.00 125.60 1rho n LEU 90 Ca 0.07 -0.29 0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1rho n LEU 90 Cb 0.49 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.64 1rho n LEU 90 CO 0.69 0.15 0.34 0.35 -1.33 0.00 0.00 177.39 177.59 1rho n THR 91 N -0.33 0.00 -1.25 -5.08 -2.24 -1.25 -4.82 114.28 99.31 1rho n THR 91 Ca 0.17 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1rho n THR 91 Cb 0.20 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1rho n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rho n GLY 92 N 1.42 1.98 3.66 3.38 0.00 -1.18 -5.04 105.19 109.41 1rho n GLY 92 Ca 0.09 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1rho n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rho s ASP 93 N -0.96 7.10 0.15 1.61 2.15 -1.26 -4.94 116.67 120.51 1rho s ASP 93 Ca 0.00 1.38 0.09 0.00 0.43 0.00 0.00 52.55 54.44 1rho s ASP 93 Cb 0.00 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 39.92 1rho s ASP 93 CO 0.00 -0.67 1.29 -0.07 -0.17 0.00 0.00 175.17 175.56 1rho h LEU 94 N 9.44 0.00 -0.63 -1.34 4.07 -1.93 -3.37 115.31 121.55 1rho h LEU 94 Ca -0.19 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.66 1rho h LEU 94 Cb 1.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1rho h LEU 94 CO 0.98 0.90 -0.10 -0.33 -1.08 0.00 0.00 178.44 178.81 1rho h GLU 95 N 0.00 0.98 0.00 1.13 4.39 -1.92 -3.05 114.58 116.10 1rho h GLU 95 Ca -0.02 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1rho h GLU 95 Cb 1.70 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1rho h GLU 95 CO 0.12 1.02 0.06 0.66 -1.16 0.00 0.00 179.01 179.70 1rho h SER 96 N 0.87 0.00 0.74 1.42 4.64 -1.96 -1.69 113.55 117.58 1rho h SER 96 Ca 0.14 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1rho h SER 96 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1rho h SER 96 CO 0.04 0.00 -0.33 -0.26 -0.87 0.00 0.00 176.83 175.41 1rho h PHE 97 N 0.00 0.00 0.00 4.77 0.04 -1.76 -2.73 116.94 117.26 1rho h PHE 97 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rho h PHE 97 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1rho h PHE 97 CO 0.00 0.33 0.00 0.87 -0.60 0.00 0.00 178.31 178.91 1rho h LYS 98 N 0.00 0.00 -0.02 1.51 1.57 -1.47 -3.04 116.57 115.12 1rho h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rho h LYS 98 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1rho h LYS 98 CO 0.04 0.00 -0.22 1.63 -0.57 0.00 0.00 179.45 180.33 1rho n LYS 99 N -2.90 1.59 -3.00 3.15 5.02 -1.03 -4.95 118.16 116.04 1rho n LYS 99 Ca 0.02 -1.23 -0.12 0.00 -2.02 0.00 0.00 58.31 54.96 1rho n LYS 99 Cb 0.39 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1rho n LYS 99 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1rho n GLN 100 N 0.37 1.53 -3.52 1.97 6.02 -1.15 -5.15 117.38 117.45 1rho n GLN 100 Ca 0.13 -1.38 -0.09 0.00 -0.01 0.00 0.00 57.00 55.65 1rho n GLN 100 Cb 0.48 0.37 -0.02 0.00 1.02 0.00 0.00 30.24 32.09 1rho n GLN 100 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1rho s SER 101 N -2.04 -0.40 -0.20 1.08 1.04 -1.26 -4.49 113.70 107.42 1rho s SER 101 Ca 0.00 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.29 1rho s SER 101 Cb 0.00 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1rho s SER 101 CO 0.00 -0.80 0.06 -0.36 0.98 0.00 0.00 173.24 173.13 1rho s PHE 102 N -3.37 3.18 -0.18 5.02 0.08 -0.64 -4.98 117.98 117.09 1rho s PHE 102 Ca 0.05 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 1rho s PHE 102 Cb -0.01 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1rho s PHE 102 CO -0.08 -0.01 0.17 0.08 -0.10 0.00 0.00 175.22 175.27 1rho s VAL 103 N 0.76 5.39 -0.05 -0.44 1.01 -1.26 -0.78 120.40 125.03 1rho s VAL 103 Ca 0.03 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1rho s VAL 103 Cb -0.13 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1rho s VAL 103 CO 0.02 0.45 -0.11 -0.22 0.00 0.00 0.00 175.10 175.24 1rho s LEU 104 N 0.21 1.65 0.29 3.92 2.96 -0.79 -4.97 118.68 121.95 1rho s LEU 104 Ca 0.11 -0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.47 1rho s LEU 104 Cb -0.12 -0.73 -0.10 0.00 0.50 0.00 0.00 46.19 45.75 1rho s LEU 104 CO 0.00 0.04 1.10 -0.75 -1.32 0.00 0.00 176.35 175.42 1rho s LYS 105 N 0.54 4.59 0.28 1.98 2.20 -1.26 -1.97 119.74 126.10 1rho s LYS 105 Ca -0.11 1.80 -0.30 0.00 -0.36 0.00 0.00 55.97 57.00 1rho s LYS 105 Cb -0.14 -3.13 -0.13 0.00 -1.51 0.00 0.00 37.83 32.92 1rho s LYS 105 CO 0.02 0.17 1.37 -0.85 -0.36 0.00 0.00 175.35 175.70 1rho n GLU 106 N 1.07 2.10 0.00 4.03 0.28 -0.06 -2.75 120.64 125.30 1rho n GLU 106 Ca -0.01 0.74 0.00 0.00 -0.16 0.00 0.00 57.16 57.74 1rho n GLU 106 Cb 0.45 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 30.95 1rho n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rho n GLY 107 N 1.63 3.08 3.76 -1.84 0.00 -0.33 -4.92 105.19 106.57 1rho n GLY 107 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1rho n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rho s VAL 108 N -1.50 2.53 0.41 1.61 -7.23 -1.11 -4.34 120.40 110.77 1rho s VAL 108 Ca 0.00 0.49 -0.23 0.00 -1.81 0.00 0.00 61.98 60.44 1rho s VAL 108 Cb 0.00 -3.31 -0.10 0.00 0.56 0.00 0.00 36.38 33.53 1rho s VAL 108 CO 0.00 0.10 0.99 -1.61 -0.31 0.00 0.00 175.10 174.27 1rho s GLU 109 N -1.30 4.21 -0.03 4.82 2.02 -1.26 -0.45 118.70 126.71 1rho s GLU 109 Ca 0.54 1.31 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 1rho s GLU 109 Cb -0.42 -2.39 0.10 0.00 0.10 0.00 0.00 34.13 31.52 1rho s GLU 109 CO 0.51 -0.07 0.85 1.52 0.02 0.00 0.00 175.26 178.09 1rho s TYR 110 N -1.89 -0.42 0.24 1.61 1.13 0.11 -4.67 117.35 113.47 1rho s TYR 110 Ca 0.59 0.46 0.11 0.00 -1.41 0.00 0.00 57.07 56.83 1rho s TYR 110 Cb -0.16 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 1rho s TYR 110 CO 0.20 -0.54 -0.16 1.03 -2.51 0.00 0.00 175.55 173.57 1rho s ARG 111 N -2.42 1.81 -0.30 -3.49 0.52 -0.96 -0.69 118.95 113.42 1rho s ARG 111 Ca 0.01 -1.58 -0.06 0.00 -0.52 0.00 0.00 55.73 53.57 1rho s ARG 111 Cb -0.01 -1.91 0.02 0.00 0.52 0.00 0.00 34.95 33.57 1rho s ARG 111 CO -0.04 0.37 0.07 0.42 0.02 0.00 0.00 175.30 176.14 1rho s ILE 112 N -2.18 3.79 -0.32 1.52 1.01 -1.26 -0.66 121.20 123.10 1rho s ILE 112 Ca 0.28 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1rho s ILE 112 Cb -0.06 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1rho s ILE 112 CO 0.15 0.01 0.38 -0.75 0.00 0.00 0.00 174.94 174.73 1rho s LYS 113 N 1.45 3.74 -0.37 2.79 2.20 0.12 -2.34 119.74 127.34 1rho s LYS 113 Ca 0.01 -0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.29 1rho s LYS 113 Cb -0.18 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.42 1rho s LYS 113 CO 0.02 -0.44 0.21 0.42 -0.36 0.00 0.00 175.35 175.19 1rho s ILE 114 N 2.08 4.63 -0.23 5.43 -1.09 -0.09 -0.74 121.20 131.20 1rho s ILE 114 Ca 0.14 -0.78 -0.21 0.00 -2.23 0.00 0.00 60.65 57.57 1rho s ILE 114 Cb -0.16 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1rho s ILE 114 CO 0.11 -0.20 0.65 -0.44 -1.23 0.00 0.00 174.94 173.83 1rho s SER 115 N 1.57 6.65 0.12 3.58 0.01 0.39 -1.09 113.70 124.93 1rho s SER 115 Ca 0.03 0.79 -0.06 0.00 1.31 0.00 0.00 55.95 58.02 1rho s SER 115 Cb -0.19 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1rho s SER 115 CO 0.07 -0.34 0.17 0.72 0.41 0.00 0.00 173.24 174.27 1rho s PHE 116 N 2.27 0.44 -0.09 2.43 -0.71 -0.76 0.09 117.98 121.64 1rho s PHE 116 Ca 0.28 -0.85 0.03 0.00 -1.04 0.00 0.00 56.93 55.35 1rho s PHE 116 Cb -0.16 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.46 1rho s PHE 116 CO 0.09 -0.58 -0.20 0.50 -1.34 0.00 0.00 175.22 173.69 1rho s ARG 117 N -3.95 2.60 -0.32 1.99 6.06 0.14 0.18 118.95 125.65 1rho s ARG 117 Ca 0.14 -0.72 -0.05 0.00 -2.50 0.00 0.00 55.73 52.59 1rho s ARG 117 Cb 0.05 -2.00 0.03 0.00 0.06 0.00 0.00 34.95 33.09 1rho s ARG 117 CO -0.04 0.13 0.07 0.08 -2.50 0.00 0.00 175.30 173.04 1rho s VAL 118 N 0.46 3.63 -0.17 7.11 1.01 -1.26 -1.51 120.40 129.66 1rho s VAL 118 Ca -0.17 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 1rho s VAL 118 Cb -0.17 -3.01 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 1rho s VAL 118 CO 0.07 -0.10 0.12 0.78 0.00 0.00 0.00 175.10 175.98 1rho h ASN 119 N 8.17 0.00 0.00 3.32 -0.26 -0.83 -0.65 115.58 125.33 1rho h ASN 119 Ca -0.25 -0.35 -0.15 0.00 -0.56 0.00 0.00 56.30 55.00 1rho h ASN 119 Cb 1.09 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.33 1rho h ASN 119 CO 0.59 1.11 -1.42 0.54 -1.06 0.00 0.00 177.43 177.19 1rho n ARG 120 N -4.54 0.20 -4.18 0.81 1.74 -1.26 -4.18 116.66 105.25 1rho n ARG 120 Ca -0.19 0.09 -0.25 0.00 -0.77 0.00 0.00 57.85 56.73 1rho n ARG 120 Cb 0.47 -0.83 -0.06 0.00 -1.02 0.00 0.00 32.46 31.01 1rho n ARG 120 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rho s GLU 121 N -2.18 2.60 0.03 5.56 0.41 -1.26 -4.65 118.70 119.21 1rho s GLU 121 Ca -0.13 -1.10 -0.30 0.00 -0.41 0.00 0.00 54.97 53.03 1rho s GLU 121 Cb 0.05 -2.43 -0.05 0.00 -1.78 0.00 0.00 34.13 29.91 1rho s GLU 121 CO 0.16 0.43 1.27 0.42 -0.49 0.00 0.00 175.26 177.06 1rho s ILE 122 N -1.92 3.91 -0.20 -1.63 1.01 -1.26 -4.15 121.20 116.95 1rho s ILE 122 Ca 0.30 1.34 -0.04 0.00 0.00 0.00 0.00 60.65 62.24 1rho s ILE 122 Cb -0.09 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1rho s ILE 122 CO 0.21 0.06 -0.02 -0.69 0.00 0.00 0.00 174.94 174.50 1rho s VAL 123 N 1.57 3.75 0.02 2.92 1.01 -0.01 -4.99 120.40 124.67 1rho s VAL 123 Ca 0.60 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1rho s VAL 123 Cb -0.30 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1rho s VAL 123 CO 0.27 0.43 0.21 -0.94 0.00 0.00 0.00 175.10 175.08 1rho s SER 124 N 1.10 6.39 0.26 3.32 1.04 -1.26 -0.45 113.70 124.10 1rho s SER 124 Ca 0.02 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1rho s SER 124 Cb -0.14 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1rho s SER 124 CO 0.01 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.06 1rho n GLY 125 N 0.74 -2.92 0.00 7.32 0.00 -1.22 -2.60 105.19 106.51 1rho n GLY 125 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1rho n GLY 125 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rho n LYS 127 N 0.17 0.00 -4.00 1.61 4.81 0.17 -3.03 118.16 117.88 1rho n LYS 127 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1rho n LYS 127 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 1rho n LYS 127 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1rho s TYR 128 N -0.86 3.13 -0.06 5.64 5.04 0.10 -0.68 117.35 129.66 1rho s TYR 128 Ca 0.00 -1.86 -0.00 0.00 -2.44 0.00 0.00 57.07 52.76 1rho s TYR 128 Cb 0.00 -2.01 -0.03 0.00 0.35 0.00 0.00 41.96 40.27 1rho s TYR 128 CO 0.00 -0.80 -0.01 0.42 -1.34 0.00 0.00 175.55 173.82 1rho s ILE 129 N 1.24 4.15 -0.04 3.14 1.01 -0.47 -0.48 121.20 129.74 1rho s ILE 129 Ca -0.03 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1rho s ILE 129 Cb -0.18 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1rho s ILE 129 CO -0.05 0.55 -0.04 -1.61 0.00 0.00 0.00 174.94 173.79 1rho s GLU 130 N -1.02 0.77 -0.21 2.79 2.02 0.22 -1.36 118.70 121.90 1rho s GLU 130 Ca 0.15 -0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.06 1rho s GLU 130 Cb -0.11 -0.79 0.05 0.00 0.10 0.00 0.00 34.13 33.37 1rho s GLU 130 CO 0.04 -0.08 -0.09 -1.01 0.02 0.00 0.00 175.26 174.14 1rho s HIS 131 N 0.90 2.47 0.03 1.61 3.76 -0.89 0.01 115.29 123.19 1rho s HIS 131 Ca -0.11 -1.69 -0.08 0.00 -0.15 0.00 0.00 55.06 53.03 1rho s HIS 131 Cb -0.14 -1.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 1rho s HIS 131 CO 0.00 -0.76 0.32 0.99 -0.85 0.00 0.00 174.74 174.44 1rho s THR 132 N 1.38 5.22 0.04 1.30 2.01 0.09 -1.64 115.64 124.03 1rho s THR 132 Ca -0.03 0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.35 1rho s THR 132 Cb -0.17 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1rho s THR 132 CO -0.07 0.35 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.69 1rho s TYR 133 N -1.32 1.81 -0.06 4.92 1.51 0.11 -1.30 117.35 123.03 1rho s TYR 133 Ca 0.29 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1rho s TYR 133 Cb -0.14 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1rho s TYR 133 CO 0.16 0.09 -0.07 0.50 -1.11 0.00 0.00 175.55 175.12 1rho s ARG 134 N -1.16 1.18 -1.60 -0.62 6.06 -0.29 -0.86 118.95 121.65 1rho s ARG 134 Ca 0.07 -0.21 -0.10 0.00 -2.50 0.00 0.00 55.73 52.99 1rho s ARG 134 Cb -0.09 -1.12 0.09 0.00 0.06 0.00 0.00 34.95 33.89 1rho s ARG 134 CO 0.02 -0.09 0.55 1.63 -2.50 0.00 0.00 175.30 174.91 1rho n LYS 135 N 4.17 -2.76 0.00 5.12 5.02 -1.26 -1.39 118.16 127.06 1rho n LYS 135 Ca -0.21 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1rho n LYS 135 Cb 0.51 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.83 1rho n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rho n GLY 136 N -1.72 2.91 3.71 0.72 0.00 -1.26 -5.03 105.19 104.52 1rho n GLY 136 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1rho n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rho s VAL 137 N -1.88 4.47 -0.15 1.61 -7.23 -0.49 -5.04 120.40 111.69 1rho s VAL 137 Ca 0.00 -0.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.65 1rho s VAL 137 Cb 0.00 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1rho s VAL 137 CO 0.00 0.58 1.57 -0.75 -0.31 0.00 0.00 175.10 176.19 1rho s LYS 138 N -0.99 4.01 0.00 4.82 2.20 -1.26 -1.14 119.74 127.37 1rho s LYS 138 Ca 0.14 1.84 0.10 0.00 -0.36 0.00 0.00 55.97 57.70 1rho s LYS 138 Cb -0.11 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1rho s LYS 138 CO 0.04 -1.04 0.66 0.44 -0.36 0.00 0.00 175.35 175.09 1rho n ILE 139 N 5.90 0.00 -3.56 5.43 -6.64 -0.42 -4.97 119.36 115.10 1rho n ILE 139 Ca 0.17 -0.40 -0.16 0.00 -1.77 0.00 0.00 62.75 60.59 1rho n ILE 139 Cb 0.44 1.13 -0.06 0.00 -1.44 0.00 0.00 39.64 39.71 1rho n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1rho s ASP 140 N -1.35 -0.55 -0.07 7.28 -1.08 -0.96 -4.99 116.67 114.94 1rho s ASP 140 Ca 0.09 0.52 -0.03 0.00 -0.52 0.00 0.00 52.55 52.61 1rho s ASP 140 Cb 0.08 0.50 0.04 0.00 -1.46 0.00 0.00 42.92 42.08 1rho s ASP 140 CO 0.25 -0.61 0.10 -0.54 0.52 0.00 0.00 175.17 174.88 1rho s LYS 141 N -1.49 -0.02 -0.05 4.34 1.02 -1.26 -0.73 119.74 121.55 1rho s LYS 141 Ca -0.10 0.36 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1rho s LYS 141 Cb -0.01 -0.64 0.02 0.00 -0.52 0.00 0.00 37.83 36.68 1rho s LYS 141 CO 0.07 -0.38 -0.05 0.99 -0.92 0.00 0.00 175.35 175.06 1rho s THR 142 N 2.20 0.58 -0.09 2.17 2.01 0.10 -5.00 115.64 117.61 1rho s THR 142 Ca 0.04 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 1rho s THR 142 Cb -0.13 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1rho s THR 142 CO -0.05 0.24 0.00 -1.81 -0.69 0.00 0.00 174.62 172.32 1rho s ASP 143 N 1.07 5.25 0.00 3.53 1.01 -1.26 -0.61 116.67 125.65 1rho s ASP 143 Ca -0.09 0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1rho s ASP 143 Cb -0.14 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.27 1rho s ASP 143 CO -0.01 0.36 0.00 -1.22 0.21 0.00 0.00 175.17 174.52 1rho n TYR 144 N 2.25 0.00 0.00 4.23 4.01 0.37 -4.98 117.16 123.04 1rho n TYR 144 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1rho n TYR 144 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1rho n TYR 144 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1rho n VAL 146 N 0.00 0.00 0.00 -0.72 0.31 -1.26 -0.72 118.33 115.94 1rho n VAL 146 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1rho n VAL 146 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1rho n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rho n GLY 147 N -1.14 -1.26 3.67 2.92 0.00 -1.26 -4.96 105.19 103.16 1rho n GLY 147 Ca 0.00 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1rho n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rho s SER 148 N -4.00 6.30 -0.11 1.61 0.01 -1.26 -3.38 113.70 112.86 1rho s SER 148 Ca 0.00 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.62 1rho s SER 148 Cb 0.00 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.07 1rho s SER 148 CO 0.00 0.00 -0.18 -0.31 0.41 0.00 0.00 173.24 173.16 1rho s TYR 149 N 1.11 2.21 0.56 2.43 1.51 0.41 -4.99 117.35 120.58 1rho s TYR 149 Ca 0.14 -1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.14 1rho s TYR 149 Cb -0.14 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1rho s TYR 149 CO 0.06 -0.49 0.83 0.20 -1.11 0.00 0.00 175.55 175.04 1rho s GLY 150 N 0.80 1.64 0.74 0.71 0.00 -1.26 -0.83 107.32 109.12 1rho s GLY 150 Ca -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.55 1rho s GLY 150 CO 0.01 -0.66 1.20 2.56 0.00 0.00 0.00 173.10 176.21 1rho s PRO 151 N -4.87 2.09 -0.11 2.90 0.04 -1.26 -4.78 135.00 129.01 1rho s PRO 151 Ca 0.54 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1rho s PRO 151 Cb -0.10 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.72 1rho s PRO 151 CO 0.42 -1.87 0.93 0.50 0.04 0.00 0.00 177.00 177.02 1rho s ARG 152 N -3.95 0.70 0.08 4.56 3.52 -0.25 -4.99 118.95 118.62 1rho s ARG 152 Ca 0.74 0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 56.28 1rho s ARG 152 Cb -0.29 0.33 -0.24 0.00 -1.56 0.00 0.00 34.95 33.19 1rho s ARG 152 CO 0.46 -0.24 1.16 0.00 -0.81 0.00 0.00 175.30 175.87 1rho h ALA 153 N 2.48 0.10 -2.67 6.12 0.00 -1.90 -3.41 119.26 119.98 1rho h ALA 153 Ca -0.20 -0.76 -0.51 0.00 0.00 0.00 0.00 54.91 53.44 1rho h ALA 153 Cb 1.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1rho h ALA 153 CO 0.32 0.75 0.41 -2.00 0.00 0.00 0.00 179.25 178.72 1rho s GLU 154 N -3.06 4.70 0.81 0.00 2.12 -1.26 -5.03 118.70 116.98 1rho s GLU 154 Ca -0.08 1.58 -0.12 0.00 0.36 0.00 0.00 54.97 56.71 1rho s GLU 154 Cb 0.07 -3.30 0.08 0.00 0.26 0.00 0.00 34.13 31.24 1rho s GLU 154 CO 0.91 0.25 1.16 -2.00 -0.54 0.00 0.00 175.26 175.05 1rho s GLU 155 N -0.58 1.75 0.08 4.30 2.12 -1.26 -4.81 118.70 120.29 1rho s GLU 155 Ca 0.46 1.56 0.04 0.00 0.36 0.00 0.00 54.97 57.39 1rho s GLU 155 Cb -0.27 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 1rho s GLU 155 CO 0.33 -2.09 0.02 0.71 -0.54 0.00 0.00 175.26 173.69 1rho s TYR 156 N -2.43 3.04 -0.19 5.30 2.02 0.13 -4.98 117.35 120.24 1rho s TYR 156 Ca 0.69 0.00 -0.03 0.00 -0.37 0.00 0.00 57.07 57.36 1rho s TYR 156 Cb -0.24 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 39.82 1rho s TYR 156 CO 0.52 0.49 0.03 -1.21 -1.57 0.00 0.00 175.55 173.81 1rho s GLU 157 N -2.30 0.72 -0.26 -0.62 2.02 -1.26 -1.84 118.70 115.17 1rho s GLU 157 Ca 0.26 -0.45 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 1rho s GLU 157 Cb -0.12 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1rho s GLU 157 CO 0.19 -0.63 0.29 0.12 0.02 0.00 0.00 175.26 175.25 1rho s PHE 158 N 1.83 3.27 -0.14 1.61 5.36 -0.25 -4.94 117.98 124.73 1rho s PHE 158 Ca -0.01 0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 56.23 1rho s PHE 158 Cb -0.17 -2.45 -0.04 0.00 -0.34 0.00 0.00 43.02 40.02 1rho s PHE 158 CO -0.08 -0.12 0.06 -0.51 -1.46 0.00 0.00 175.22 173.12 1rho s LEU 159 N 1.67 3.88 0.61 6.12 1.43 -1.26 -0.91 118.68 130.21 1rho s LEU 159 Ca 0.12 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1rho s LEU 159 Cb -0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1rho s LEU 159 CO 0.09 0.29 0.93 0.42 0.23 0.00 0.00 176.35 178.31 1rho s THR 160 N -0.34 3.53 0.88 5.49 -4.23 -0.99 -4.99 115.64 115.00 1rho s THR 160 Ca 0.09 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.52 1rho s THR 160 Cb -0.12 -3.42 0.12 0.00 1.34 0.00 0.00 72.50 70.42 1rho s THR 160 CO 0.02 -0.45 1.11 -2.84 -0.54 0.00 0.00 174.62 171.92 1rho s PRO 161 N -5.05 1.34 0.10 3.99 0.02 -1.26 -4.62 135.00 129.52 1rho s PRO 161 Ca 0.55 1.30 -0.32 0.00 0.02 0.00 0.00 61.00 62.55 1rho s PRO 161 Cb -0.11 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.52 1rho s PRO 161 CO 0.46 -2.32 1.84 0.28 -0.33 0.00 0.00 177.00 176.92 1rho n VAL 162 N -4.00 0.40 -4.30 3.83 0.31 -1.26 -4.73 118.33 108.59 1rho n VAL 162 Ca 0.10 -0.07 -0.23 0.00 -0.01 0.00 0.00 64.34 64.12 1rho n VAL 162 Cb 0.53 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.31 1rho n VAL 162 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1rho s GLU 163 N 2.90 2.19 0.03 5.55 0.41 0.14 -4.96 118.70 124.96 1rho s GLU 163 Ca 0.84 -1.55 0.08 0.00 -0.41 0.00 0.00 54.97 53.93 1rho s GLU 163 Cb -0.52 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 29.74 1rho s GLU 163 CO 0.39 0.28 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.99 1rho s GLU 164 N -3.69 1.65 0.33 1.61 2.02 -1.26 0.09 118.70 119.46 1rho s GLU 164 Ca 0.33 -0.98 -0.27 0.00 0.02 0.00 0.00 54.97 54.07 1rho s GLU 164 Cb -0.04 -1.75 -0.09 0.00 0.10 0.00 0.00 34.13 32.34 1rho s GLU 164 CO 0.20 0.46 1.09 0.00 0.02 0.00 0.00 175.26 177.03 1rho s ALA 165 N -0.75 3.27 0.77 5.21 0.00 0.41 -4.95 121.76 125.72 1rho s ALA 165 Ca 0.09 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.77 1rho s ALA 165 Cb -0.09 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1rho s ALA 165 CO 0.01 -0.23 1.15 -1.25 0.00 0.00 0.00 175.76 175.44 1rho s PRO 166 N -1.90 2.04 -0.00 0.00 0.04 -1.26 -1.18 135.00 132.73 1rho s PRO 166 Ca 0.50 1.53 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1rho s PRO 166 Cb -0.29 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1rho s PRO 166 CO 0.37 -1.87 -0.12 0.21 0.04 0.00 0.00 177.00 175.63 1rho s LYS 167 N -4.30 0.95 0.00 4.56 2.20 -1.26 -2.97 119.74 118.92 1rho s LYS 167 Ca 0.69 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1rho s LYS 167 Cb -0.24 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.17 1rho s LYS 167 CO 0.49 0.25 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 1rho n GLY 168 N 2.63 0.11 0.00 5.54 0.00 -1.26 -4.61 105.19 107.59 1rho n GLY 168 Ca -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1rho n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rho n LEU 170 N 0.00 0.00 -0.01 0.99 4.32 -1.26 -1.43 117.00 119.61 1rho n LEU 170 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.06 1rho n LEU 170 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1rho n LEU 170 CO 0.00 0.00 -0.55 0.00 -1.22 0.00 0.00 177.39 175.62 1rho n ALA 171 N 0.00 2.73 -2.00 -1.18 0.00 -1.26 -4.99 120.51 113.80 1rho n ALA 171 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 1rho n ALA 171 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 1rho n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rho s ARG 172 N -2.82 4.11 0.00 0.00 0.52 -0.52 -4.76 118.95 115.48 1rho s ARG 172 Ca -0.03 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.04 1rho s ARG 172 Cb 0.09 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1rho s ARG 172 CO 0.56 0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.37 1rho n GLY 173 N -0.46 0.93 3.75 -3.53 0.00 -0.47 -4.96 105.19 100.44 1rho n GLY 173 Ca 0.05 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 1rho n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rho s SER 174 N -3.16 6.61 0.40 1.61 0.01 -1.26 -1.12 113.70 116.79 1rho s SER 174 Ca 0.00 0.72 0.08 0.00 1.31 0.00 0.00 55.95 58.06 1rho s SER 174 Cb 0.00 -2.23 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 1rho s SER 174 CO 0.00 0.12 0.01 -0.31 0.41 0.00 0.00 173.24 173.47 1rho s TYR 175 N 0.15 2.51 -0.18 2.43 1.51 0.03 -4.22 117.35 119.57 1rho s TYR 175 Ca 0.22 -0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 1rho s TYR 175 Cb -0.15 -1.72 0.09 0.00 -0.11 0.00 0.00 41.96 40.08 1rho s TYR 175 CO 0.08 0.44 0.34 -1.12 -1.11 0.00 0.00 175.55 174.19 1rho s SER 176 N -3.72 0.20 -0.19 2.29 0.01 -0.04 -2.57 113.70 109.68 1rho s SER 176 Ca 0.35 0.59 -0.09 0.00 1.31 0.00 0.00 55.95 58.12 1rho s SER 176 Cb 0.07 1.00 -0.05 0.00 0.21 0.00 0.00 66.02 67.26 1rho s SER 176 CO 0.18 -0.26 0.09 -0.63 0.41 0.00 0.00 173.24 173.04 1rho s ILE 177 N 2.51 5.08 -0.43 1.44 1.09 0.91 0.10 121.20 131.90 1rho s ILE 177 Ca 0.03 0.07 -0.09 0.00 -1.10 0.00 0.00 60.65 59.56 1rho s ILE 177 Cb -0.13 -3.30 0.09 0.00 -1.06 0.00 0.00 42.46 38.05 1rho s ILE 177 CO -0.12 0.45 0.28 -0.54 -0.10 0.00 0.00 174.94 174.91 1rho s LYS 178 N 0.38 2.58 0.19 2.79 1.02 -0.66 -1.60 119.74 124.44 1rho s LYS 178 Ca 0.05 -1.52 -0.06 0.00 0.02 0.00 0.00 55.97 54.46 1rho s LYS 178 Cb -0.12 -3.82 -0.06 0.00 -0.52 0.00 0.00 37.83 33.32 1rho s LYS 178 CO -0.01 -1.01 0.45 -1.12 -0.92 0.00 0.00 175.35 172.74 1rho s SER 179 N 2.24 6.53 -0.09 2.83 0.01 -0.06 -2.09 113.70 123.07 1rho s SER 179 Ca 0.04 0.70 -0.03 0.00 1.31 0.00 0.00 55.95 57.96 1rho s SER 179 Cb -0.24 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 63.91 1rho s SER 179 CO 0.02 -0.01 0.15 -0.13 0.41 0.00 0.00 173.24 173.67 1rho s ARG 180 N -2.82 0.03 -0.34 12.44 0.52 -0.46 -2.15 118.95 126.18 1rho s ARG 180 Ca 0.43 0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 56.04 1rho s ARG 180 Cb -0.12 -0.38 -0.01 0.00 0.52 0.00 0.00 34.95 34.96 1rho s ARG 180 CO 0.24 -0.34 0.21 0.12 0.02 0.00 0.00 175.30 175.55 1rho s PHE 181 N 2.28 3.21 0.01 -0.53 5.36 -0.51 -1.37 117.98 126.43 1rho s PHE 181 Ca 0.03 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1rho s PHE 181 Cb -0.12 -2.43 -0.00 0.00 -0.34 0.00 0.00 43.02 40.12 1rho s PHE 181 CO -0.06 -0.43 0.01 -2.37 -1.46 0.00 0.00 175.22 170.91 1rho n THR 182 N 5.05 0.00 -2.98 0.12 5.66 0.15 -2.33 114.28 119.95 1rho n THR 182 Ca -0.13 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1rho n THR 182 Cb 0.49 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1rho n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1rho n ASP 183 N -2.42 0.00 -0.27 1.09 5.75 -1.25 -0.66 116.55 118.80 1rho n ASP 183 Ca -0.00 -0.49 0.06 0.00 -0.01 0.00 0.00 54.79 54.35 1rho n ASP 183 Cb 0.02 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.39 1rho n ASP 183 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1rho h ASP 184 N 0.00 0.81 -0.38 -1.12 3.32 -1.41 -1.66 116.42 115.98 1rho h ASP 184 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1rho h ASP 184 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1rho h ASP 184 CO 0.00 0.51 0.00 0.47 -1.72 0.00 0.00 179.24 178.50 1rho n ASP 185 N -4.50 2.12 -3.46 6.45 8.00 -1.26 -4.92 116.55 118.98 1rho n ASP 185 Ca 0.13 -2.02 -0.25 0.00 0.71 0.00 0.00 54.79 53.36 1rho n ASP 185 Cb 0.24 -0.27 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1rho n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rho n LYS 186 N 0.61 -5.36 -2.54 -1.24 4.76 -0.62 -4.97 118.16 108.81 1rho n LYS 186 Ca 0.13 0.71 -0.40 0.00 -2.87 0.00 0.00 58.31 55.88 1rho n LYS 186 Cb 0.34 -5.59 -0.04 0.00 -1.84 0.00 0.00 35.03 27.90 1rho n LYS 186 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1rho s THR 187 N -3.19 3.72 -1.10 -0.18 2.01 -1.26 -4.82 115.64 110.82 1rho s THR 187 Ca 0.49 1.64 -0.15 0.00 0.31 0.00 0.00 61.69 63.97 1rho s THR 187 Cb -0.23 -4.04 0.17 0.00 0.01 0.00 0.00 72.50 68.40 1rho s THR 187 CO 0.60 0.35 1.30 -0.62 -0.69 0.00 0.00 174.62 175.56 1rho s ASP 188 N -0.65 6.94 0.30 3.53 2.15 -1.26 -3.89 116.67 123.79 1rho s ASP 188 Ca 0.46 -2.73 -0.01 0.00 0.43 0.00 0.00 52.55 50.70 1rho s ASP 188 Cb -0.30 -2.38 0.45 0.00 -0.30 0.00 0.00 42.92 40.39 1rho s ASP 188 CO 0.37 -0.81 1.88 0.45 -0.17 0.00 0.00 175.17 176.89 1rho h HIS 189 N 7.67 0.87 -1.28 -5.34 3.86 -1.84 -3.45 115.15 115.64 1rho h HIS 189 Ca 0.25 -0.04 0.14 0.00 -1.16 0.00 0.00 60.37 59.56 1rho h HIS 189 Cb 0.93 -0.27 -0.30 0.00 1.06 0.00 0.00 27.41 28.83 1rho h HIS 189 CO 1.10 0.67 0.72 -1.17 0.86 0.00 0.00 177.93 180.11 1rho s LEU 190 N -9.50 -0.21 -0.03 2.43 0.20 -1.22 -4.64 118.68 105.71 1rho s LEU 190 Ca -0.10 0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.14 1rho s LEU 190 Cb 0.16 1.41 -0.00 0.00 -0.43 0.00 0.00 46.19 47.34 1rho s LEU 190 CO 0.79 -0.08 -0.12 -0.44 -0.29 0.00 0.00 176.35 176.22 1rho s SER 191 N 0.01 1.48 0.12 3.68 0.01 -1.26 -1.43 113.70 116.32 1rho s SER 191 Ca 0.06 -0.23 -0.20 0.00 1.31 0.00 0.00 55.95 56.89 1rho s SER 191 Cb -0.05 -0.36 0.05 0.00 0.21 0.00 0.00 66.02 65.88 1rho s SER 191 CO -0.11 0.10 0.49 -1.66 0.41 0.00 0.00 173.24 172.47 1rho s TRP 192 N 0.07 -0.37 -0.10 2.43 -2.14 -0.91 -5.02 118.94 112.90 1rho s TRP 192 Ca -0.02 0.16 0.04 0.00 2.66 0.00 0.00 56.10 58.94 1rho s TRP 192 Cb -0.09 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.66 1rho s TRP 192 CO 0.01 -0.74 -0.24 -2.00 -2.66 0.00 0.00 176.95 171.32 1rho s GLU 193 N -3.50 3.05 0.07 3.25 2.12 -1.26 -0.88 118.70 121.55 1rho s GLU 193 Ca 0.01 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.48 1rho s GLU 193 Cb 0.00 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1rho s GLU 193 CO -0.10 0.18 -0.08 1.67 -0.54 0.00 0.00 175.26 176.39 1rho s TRP 194 N 0.35 0.80 0.04 5.30 1.48 -0.63 -4.23 118.94 122.05 1rho s TRP 194 Ca -0.19 -0.66 0.03 0.00 -1.06 0.00 0.00 56.10 54.22 1rho s TRP 194 Cb -0.18 -0.47 -0.04 0.00 -1.16 0.00 0.00 33.47 31.63 1rho s TRP 194 CO 0.09 -0.10 0.02 -0.80 -4.06 0.00 0.00 176.95 172.10 1rho s ASN 195 N -2.19 5.18 -0.16 -2.66 0.01 -1.26 -0.06 114.94 113.80 1rho s ASN 195 Ca -0.01 -0.06 -0.02 0.00 -0.71 0.00 0.00 52.86 52.07 1rho s ASN 195 Cb -0.04 -1.33 0.05 0.00 0.41 0.00 0.00 41.25 40.34 1rho s ASN 195 CO -0.01 0.23 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.58 1rho s LEU 196 N -1.96 1.25 -0.33 0.60 2.96 -1.06 -1.62 118.68 118.52 1rho s LEU 196 Ca 0.23 -0.63 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1rho s LEU 196 Cb -0.12 -0.69 -0.00 0.00 0.50 0.00 0.00 46.19 45.88 1rho s LEU 196 CO 0.15 -0.24 0.18 -0.89 -1.32 0.00 0.00 176.35 174.23 1rho s THR 197 N 1.79 4.69 -0.21 3.68 2.01 0.04 -0.79 115.64 126.84 1rho s THR 197 Ca 0.01 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 1rho s THR 197 Cb -0.16 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1rho s THR 197 CO -0.07 -0.01 0.56 -0.63 -0.69 0.00 0.00 174.62 173.78 1rho s ILE 198 N 1.61 5.06 0.35 1.82 -1.09 -0.27 -1.89 121.20 126.80 1rho s ILE 198 Ca 0.04 1.03 0.05 0.00 -2.23 0.00 0.00 60.65 59.55 1rho s ILE 198 Cb -0.18 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 1rho s ILE 198 CO 0.07 0.13 0.03 -0.54 -1.23 0.00 0.00 174.94 173.40 1rho s LYS 199 N 1.90 1.76 0.09 2.79 1.02 -0.83 -1.37 119.74 125.10 1rho s LYS 199 Ca 0.25 -1.98 -0.16 0.00 0.02 0.00 0.00 55.97 54.10 1rho s LYS 199 Cb -0.16 -1.17 -0.08 0.00 -0.52 0.00 0.00 37.83 35.90 1rho s LYS 199 CO 0.10 -0.12 1.45 0.87 -0.92 0.00 0.00 175.35 176.72 1rho h LYS 200 N 1.99 0.60 -4.54 1.68 1.57 -1.97 -0.13 116.57 115.78 1rho h LYS 200 Ca -0.42 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 57.89 1rho h LYS 200 Cb 1.24 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 1rho h LYS 200 CO 0.74 0.85 -0.69 -0.51 -0.57 0.00 0.00 179.45 179.28 1rho s ASP 201 N -6.32 0.92 0.24 0.86 1.01 -1.26 -4.49 116.67 107.63 1rho s ASP 201 Ca -0.13 -1.04 -0.06 0.00 0.71 0.00 0.00 52.55 52.03 1rho s ASP 201 Cb 0.08 0.14 0.24 0.00 1.01 0.00 0.00 42.92 44.39 1rho s ASP 201 CO 0.80 -0.53 1.90 -0.50 0.21 0.00 0.00 175.17 177.04 1rho h TRP 202 N 2.98 1.26 0.00 4.23 4.06 -1.92 -3.45 115.95 123.11 1rho h TRP 202 Ca -0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1rho h TRP 202 Cb 1.17 -0.42 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 1rho h TRP 202 CO 0.56 0.83 0.00 1.17 -3.56 0.00 0.00 178.44 177.43