#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brn s ASP 8 N 0.85 6.48 -0.04 0.00 2.15 -1.26 -4.80 116.67 120.05 3brn s ASP 8 Ca -0.07 -1.49 0.09 0.00 0.43 0.00 0.00 52.55 51.51 3brn s ASP 8 Cb -0.15 -2.51 0.33 0.00 -0.30 0.00 0.00 42.92 40.28 3brn s ASP 8 CO -0.02 -1.41 1.18 0.49 -0.17 0.00 0.00 175.17 175.23 3brn n PHE 9 N 8.21 0.65 -2.98 -5.34 3.72 -1.26 -4.83 117.46 115.63 3brn n PHE 9 Ca 0.25 -0.27 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3brn n PHE 9 Cb 0.50 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 3brn n PHE 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3brn s GLY 10 N -0.74 2.11 0.00 1.37 0.00 -1.26 -5.04 107.32 103.76 3brn s GLY 10 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.89 3brn s GLY 10 CO 0.12 1.52 0.00 0.61 0.00 0.00 0.00 173.10 175.35 3brn n GLY 11 N 3.55 -0.09 3.87 0.20 0.00 -1.26 -4.93 105.19 106.53 3brn n GLY 11 Ca 0.02 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 3brn n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3brn s PRO 12 N 0.00 3.02 -0.03 1.61 0.04 -1.26 -5.16 135.00 133.22 3brn s PRO 12 Ca 0.00 0.61 -0.00 0.00 0.04 0.00 0.00 61.00 61.65 3brn s PRO 12 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3brn s PRO 12 CO 0.00 -0.95 0.02 -0.06 0.04 0.00 0.00 177.00 176.05 3brn s PHE 13 N -3.26 3.15 -0.29 0.56 0.08 -1.26 -5.10 117.98 111.86 3brn s PHE 13 Ca 0.57 0.15 -0.07 0.00 0.12 0.00 0.00 56.93 57.71 3brn s PHE 13 Cb -0.12 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3brn s PHE 13 CO 0.53 0.48 0.08 -0.65 -0.10 0.00 0.00 175.22 175.56 3brn s GLN 14 N -1.33 3.15 0.35 0.44 -0.21 -1.26 -3.25 119.66 117.54 3brn s GLN 14 Ca 0.18 -0.82 0.12 0.00 0.02 0.00 0.00 55.36 54.85 3brn s GLN 14 Cb -0.12 -3.37 0.92 0.00 1.00 0.00 0.00 33.01 31.44 3brn s GLN 14 CO 0.08 -0.42 1.78 0.00 -2.12 0.00 0.00 175.29 174.61 3brn h ALA 15 N 8.24 1.93 -0.02 6.09 0.00 -1.17 -2.15 119.26 132.18 3brn h ALA 15 Ca -0.32 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 3brn h ALA 15 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3brn h ALA 15 CO 0.60 -0.32 -0.93 0.10 0.00 0.00 0.00 179.25 178.71 3brn h TYR 16 N 0.58 0.69 -0.32 0.00 -0.00 -1.88 0.45 116.97 116.49 3brn h TYR 16 Ca 0.58 -0.36 -0.05 0.00 -0.00 0.00 0.00 58.73 58.90 3brn h TYR 16 Cb 1.17 -0.08 -0.02 0.00 -0.00 0.00 0.00 36.73 37.80 3brn h TYR 16 CO -0.00 1.18 0.00 0.87 -0.00 0.00 0.00 178.16 180.21 3brn h LYS 17 N 0.28 0.48 -0.10 0.10 1.57 -1.79 -1.51 116.57 115.61 3brn h LYS 17 Ca -0.08 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.36 3brn h LYS 17 Cb 1.56 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.81 3brn h LYS 17 CO 0.16 0.51 -0.88 1.03 -0.57 0.00 0.00 179.45 179.71 3brn h SER 18 N 0.47 0.94 -0.39 0.86 0.87 -1.19 -2.55 113.55 112.55 3brn h SER 18 Ca 0.10 -0.67 -0.13 0.00 -1.23 0.00 0.00 61.79 59.87 3brn h SER 18 Cb 0.31 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3brn h SER 18 CO 0.01 1.47 -0.27 0.58 -0.53 0.00 0.00 176.83 178.09 3brn h VAL 19 N 0.49 1.28 0.00 2.23 2.07 -0.78 -2.98 116.25 118.56 3brn h VAL 19 Ca -0.08 -1.43 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 3brn h VAL 19 Cb 1.52 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3brn h VAL 19 CO 0.18 0.48 -0.43 0.78 0.02 0.00 0.00 177.57 178.59 3brn h ASN 20 N 0.69 0.00 0.00 0.57 2.35 -1.39 -3.41 115.58 114.38 3brn h ASN 20 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3brn h ASN 20 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3brn h ASN 20 CO 0.07 0.43 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 3brn n GLY 21 N -0.28 2.39 0.00 2.83 0.00 -0.96 -0.01 105.19 109.16 3brn n GLY 21 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.86 3brn n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3brn n PRO 22 N 14.00 0.98 -0.99 1.61 -0.04 -1.17 -4.58 135.00 144.81 3brn n PRO 22 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3brn n PRO 22 Cb 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3brn n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3brn n GLY 23 N 0.60 0.39 3.55 0.55 0.00 0.99 -5.01 105.19 106.26 3brn n GLY 23 Ca 0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 3brn n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3brn s ASN 24 N -2.93 -0.42 0.64 1.61 2.20 -1.26 -5.10 114.94 109.67 3brn s ASN 24 Ca 0.00 -0.14 0.00 0.00 -0.94 0.00 0.00 52.86 51.78 3brn s ASN 24 Cb 0.00 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.80 3brn s ASN 24 CO 0.00 -0.93 0.00 0.61 -2.94 0.00 0.00 177.10 173.84 3brn n GLY 25 N -0.37 1.44 1.17 0.45 0.00 -1.26 -4.78 105.19 101.84 3brn n GLY 25 Ca -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 3brn n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3brn n GLY 26 N 0.00 1.27 3.17 -0.02 0.00 -1.26 -1.47 105.19 106.87 3brn n GLY 26 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 3brn n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3brn s TYR 27 N -5.45 1.72 0.13 1.61 2.02 0.04 -0.66 117.35 116.75 3brn s TYR 27 Ca 0.06 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 3brn s TYR 27 Cb -0.01 -1.13 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 3brn s TYR 27 CO 0.02 -0.10 0.45 0.71 -1.57 0.00 0.00 175.55 175.06 3brn s TYR 28 N -0.21 3.54 -0.67 2.71 1.51 -0.04 -1.01 117.35 123.19 3brn s TYR 28 Ca 0.02 0.82 -0.27 0.00 -1.01 0.00 0.00 57.07 56.62 3brn s TYR 28 Cb -0.09 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3brn s TYR 28 CO 0.01 0.45 1.29 -1.17 -1.11 0.00 0.00 175.55 175.01 3brn s LEU 29 N -2.18 3.28 -0.07 -1.29 2.96 -0.82 -1.68 118.68 118.87 3brn s LEU 29 Ca 0.37 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.87 3brn s LEU 29 Cb -0.13 -2.80 -0.28 0.00 0.50 0.00 0.00 46.19 43.48 3brn s LEU 29 CO 0.20 -1.73 0.90 -0.09 -1.32 0.00 0.00 176.35 174.31 3brn h ARG 30 N 10.14 0.19 -3.91 1.98 9.65 -1.30 -2.89 114.38 128.24 3brn h ARG 30 Ca -0.27 -0.28 -0.17 0.00 -1.10 0.00 0.00 59.98 58.16 3brn h ARG 30 Cb 1.06 0.10 -0.21 0.00 -1.39 0.00 0.00 29.97 29.53 3brn h ARG 30 CO 1.24 1.09 -0.67 0.15 2.80 0.00 0.00 179.97 184.58 3brn s LYS 31 N -2.57 0.32 0.00 0.20 1.02 -1.12 -3.42 119.74 114.18 3brn s LYS 31 Ca -0.16 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.27 3brn s LYS 31 Cb -0.00 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 3brn s LYS 31 CO 0.77 -0.06 0.00 -2.37 -0.92 0.00 0.00 175.35 172.77 3brn n THR 32 N 1.64 0.00 0.00 2.17 5.66 -0.65 -0.92 114.28 122.17 3brn n THR 32 Ca -0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 3brn n THR 32 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 3brn n THR 32 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3brn n THR 33 N 0.00 0.00 -0.48 1.09 -2.24 -1.24 -0.91 114.28 110.50 3brn n THR 33 Ca 0.00 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 3brn n THR 33 Cb 0.00 0.57 0.18 0.00 -2.10 0.00 0.00 70.33 68.98 3brn n THR 33 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3brn n LYS 34 N -0.58 -2.71 0.00 -0.78 4.81 -1.26 -4.90 118.16 112.74 3brn n LYS 34 Ca 0.00 -0.80 0.00 0.00 -0.87 0.00 0.00 58.31 56.64 3brn n LYS 34 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.45 3brn n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3brn n GLY 36 N 2.25 0.02 3.77 3.14 0.00 -1.26 -4.82 105.19 108.29 3brn n GLY 36 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3brn n GLY 36 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3brn s THR 37 N 0.10 2.96 0.37 2.61 -1.32 -1.26 -4.98 115.64 114.12 3brn s THR 37 Ca 0.00 0.94 -0.28 0.00 -1.21 0.00 0.00 61.69 61.13 3brn s THR 37 Cb 0.00 -3.58 -0.11 0.00 -1.51 0.00 0.00 72.50 67.29 3brn s THR 37 CO 0.00 0.20 1.50 -2.65 -2.21 0.00 0.00 174.62 171.46 3brn n PRO 38 N 0.76 2.67 -1.85 7.08 -0.02 -1.26 -4.94 135.00 137.43 3brn n PRO 38 Ca 0.00 0.94 -0.39 0.00 -2.02 0.00 0.00 63.50 62.04 3brn n PRO 38 Cb 0.43 -2.67 0.03 0.00 -0.02 0.00 0.00 33.50 31.27 3brn n PRO 38 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3brn s GLU 39 N -1.91 3.41 -1.69 -0.52 2.02 -1.26 -3.21 118.70 115.54 3brn s GLU 39 Ca 0.54 2.23 0.00 0.00 0.02 0.00 0.00 54.97 57.77 3brn s GLU 39 Cb -0.48 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3brn s GLU 39 CO 0.62 -0.97 0.00 0.00 0.02 0.00 0.00 175.26 174.93 3brn s ALA 41 N -2.94 2.79 0.18 0.00 0.00 -1.20 -4.08 121.76 116.51 3brn s ALA 41 Ca 0.00 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 3brn s ALA 41 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3brn s ALA 41 CO 0.00 -1.39 0.45 1.52 0.00 0.00 0.00 175.76 176.34 3brn s TYR 42 N -1.31 -0.01 0.15 0.00 1.13 -0.72 -1.94 117.35 114.64 3brn s TYR 42 Ca 0.72 -0.33 0.06 0.00 -1.41 0.00 0.00 57.07 56.11 3brn s TYR 42 Cb -0.40 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.68 3brn s TYR 42 CO 0.47 -0.84 -0.13 0.14 -2.51 0.00 0.00 175.55 172.69 3brn s VAL 43 N -3.88 1.34 -0.00 -3.49 -7.23 -0.18 -2.15 120.40 104.80 3brn s VAL 43 Ca 0.10 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 3brn s VAL 43 Cb 0.00 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 3brn s VAL 43 CO -0.04 -0.57 0.02 -0.76 -0.31 0.00 0.00 175.10 173.44 3brn s LEU 44 N -2.87 3.59 0.59 1.32 1.43 0.42 -0.78 118.68 122.39 3brn s LEU 44 Ca 0.14 0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.06 3brn s LEU 44 Cb -0.01 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3brn s LEU 44 CO 0.03 0.28 1.34 0.68 0.23 0.00 0.00 176.35 178.90 3brn s VAL 45 N -1.11 2.04 0.74 -1.59 -7.23 -0.54 -4.36 120.40 108.35 3brn s VAL 45 Ca 0.20 0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 60.25 3brn s VAL 45 Cb -0.12 -3.01 0.04 0.00 0.56 0.00 0.00 36.38 33.85 3brn s VAL 45 CO 0.11 -0.00 1.18 -2.65 -0.31 0.00 0.00 175.10 173.43 3brn n PRO 46 N -1.37 0.54 0.21 4.82 -0.02 -1.26 -4.81 135.00 133.11 3brn n PRO 46 Ca 0.13 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 3brn n PRO 46 Cb 0.46 -2.43 0.39 0.00 -0.02 0.00 0.00 33.50 31.91 3brn n PRO 46 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3brn h GLN 47 N -0.32 0.00 -6.80 -0.52 4.20 -1.92 -3.43 115.11 106.32 3brn h GLN 47 Ca -0.48 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.54 3brn h GLN 47 Cb 1.32 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.87 3brn h GLN 47 CO 0.48 0.26 -0.85 0.54 -0.67 0.00 0.00 178.83 178.59 3brn s ASN 48 N -6.24 3.43 0.13 1.46 4.22 -1.26 -5.11 114.94 111.57 3brn s ASN 48 Ca 0.01 -0.65 -0.33 0.00 -2.14 0.00 0.00 52.86 49.76 3brn s ASN 48 Cb 0.10 -0.33 -0.12 0.00 1.28 0.00 0.00 41.25 42.17 3brn s ASN 48 CO 0.65 0.21 1.72 0.41 -2.04 0.00 0.00 177.10 178.05 3brn n THR 49 N 1.16 0.17 -3.31 0.54 -1.04 -1.26 -5.00 114.28 105.53 3brn n THR 49 Ca -0.17 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.46 3brn n THR 49 Cb 0.53 -1.84 -0.06 0.00 -1.82 0.00 0.00 70.33 67.14 3brn n THR 49 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3brn s LEU 50 N 1.84 4.27 0.47 -4.42 1.43 -1.26 -5.10 118.68 115.92 3brn s LEU 50 Ca 0.80 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 55.07 3brn s LEU 50 Cb -0.59 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 3brn s LEU 50 CO 0.38 0.02 0.19 -0.44 0.23 0.00 0.00 176.35 176.73 3brn s SER 51 N -1.91 4.38 0.10 2.29 0.01 -1.26 -4.81 113.70 112.49 3brn s SER 51 Ca 0.42 -1.29 -0.32 0.00 1.31 0.00 0.00 55.95 56.08 3brn s SER 51 Cb -0.14 0.03 -0.11 0.00 0.21 0.00 0.00 66.02 66.01 3brn s SER 51 CO 0.20 -0.77 1.82 1.21 0.41 0.00 0.00 173.24 176.10 3brn n GLU 52 N -1.38 2.63 -0.48 12.44 4.07 -1.26 -2.14 120.64 134.53 3brn n GLU 52 Ca -0.06 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 3brn n GLU 52 Cb 0.65 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.20 3brn n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3brn n GLY 53 N 4.16 0.86 3.92 8.31 0.00 0.52 -5.04 105.19 117.93 3brn n GLY 53 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3brn n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3brn s GLN 54 N -0.46 3.40 0.01 1.61 -0.21 -0.91 -4.76 119.66 118.34 3brn s GLN 54 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 55.36 55.38 3brn s GLN 54 Cb 0.00 -2.46 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 3brn s GLN 54 CO 0.00 -0.18 -0.14 -1.54 -2.12 0.00 0.00 175.29 171.32 3brn s SER 55 N -4.12 1.64 0.34 5.90 1.04 -1.26 -2.42 113.70 114.82 3brn s SER 55 Ca 0.46 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.56 3brn s SER 55 Cb -0.10 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3brn s SER 55 CO 0.42 0.11 0.41 0.28 0.98 0.00 0.00 173.24 175.44 3brn s THR 56 N -0.55 0.00 0.30 2.02 -1.32 -0.64 -4.98 115.64 110.46 3brn s THR 56 Ca 0.04 -1.74 -0.16 0.00 -1.21 0.00 0.00 61.69 58.62 3brn s THR 56 Cb -0.06 -2.61 -0.09 0.00 -1.51 0.00 0.00 72.50 68.23 3brn s THR 56 CO 0.00 0.00 0.72 -0.55 -2.21 0.00 0.00 174.62 172.58 3brn s SER 57 N -3.29 6.82 0.02 8.08 0.15 -1.26 -1.01 113.70 123.20 3brn s SER 57 Ca 0.34 1.28 -0.11 0.00 0.70 0.00 0.00 55.95 58.16 3brn s SER 57 Cb 0.00 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 3brn s SER 57 CO 0.23 -0.15 0.24 0.72 1.20 0.00 0.00 173.24 175.49 3brn s PHE 58 N -1.88 -0.04 -0.07 3.44 -0.71 -0.47 -4.39 117.98 113.86 3brn s PHE 58 Ca 0.51 -0.08 -0.11 0.00 -1.04 0.00 0.00 56.93 56.22 3brn s PHE 58 Cb -0.12 0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 3brn s PHE 58 CO 0.18 -0.42 0.27 0.99 -1.34 0.00 0.00 175.22 174.90 3brn s THR 59 N -2.16 5.28 0.29 -4.49 2.01 -1.26 -1.17 115.64 114.14 3brn s THR 59 Ca -0.08 0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.47 3brn s THR 59 Cb -0.03 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 3brn s THR 59 CO -0.01 0.58 0.19 -0.72 -0.69 0.00 0.00 174.62 173.97 3brn s TYR 60 N -0.91 1.54 -0.96 4.92 1.13 -0.69 -0.44 117.35 121.95 3brn s TYR 60 Ca 0.19 -1.48 0.00 0.00 -1.41 0.00 0.00 57.07 54.37 3brn s TYR 60 Cb -0.14 -0.73 0.00 0.00 -1.10 0.00 0.00 41.96 39.99 3brn s TYR 60 CO 0.08 -0.68 0.00 0.41 -2.51 0.00 0.00 175.55 172.86 3brn n GLY 61 N -0.52 -0.59 3.61 5.49 0.00 -0.92 -0.50 105.19 111.77 3brn n GLY 61 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 3brn n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3brn s LYS 62 N -0.38 0.31 -0.07 1.61 -2.85 -1.22 -1.76 119.74 115.38 3brn s LYS 62 Ca 0.00 -0.15 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 3brn s LYS 62 Cb 0.00 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 3brn s LYS 62 CO 0.00 -0.14 1.38 -1.17 0.10 0.00 0.00 175.35 175.52 3brn s LEU 63 N -2.57 4.27 -0.15 2.77 2.96 -0.78 -1.78 118.68 123.40 3brn s LEU 63 Ca 0.12 1.96 -0.03 0.00 -0.22 0.00 0.00 54.13 55.96 3brn s LEU 63 Cb 0.02 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.21 3brn s LEU 63 CO -0.04 -0.76 0.03 -1.58 -1.32 0.00 0.00 176.35 172.68 3brn s GLN 64 N 3.09 0.57 -1.21 1.98 0.74 0.21 -4.70 119.66 120.34 3brn s GLN 64 Ca 0.62 -0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.83 3brn s GLN 64 Cb -0.28 -1.66 0.00 0.00 1.10 0.00 0.00 33.01 32.17 3brn s GLN 64 CO 0.22 -0.52 0.99 0.09 -0.55 0.00 0.00 175.29 175.53 3brn n ASN 65 N 5.11 -2.19 0.00 6.67 5.03 -1.26 -2.48 115.26 126.14 3brn n ASN 65 Ca -0.08 -0.63 0.00 0.00 0.87 0.00 0.00 54.58 54.74 3brn n ASN 65 Cb 0.48 -5.07 0.00 0.00 -1.02 0.00 0.00 39.78 34.17 3brn n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3brn n GLY 66 N -1.19 1.47 3.35 7.41 0.00 -1.26 -4.97 105.19 110.00 3brn n GLY 66 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3brn n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3brn s GLN 67 N -0.13 1.34 -0.38 1.61 -1.52 -1.03 -4.99 119.66 114.56 3brn s GLN 67 Ca 0.00 -1.51 -0.21 0.00 -1.95 0.00 0.00 55.36 51.69 3brn s GLN 67 Cb 0.00 -1.32 0.01 0.00 -0.22 0.00 0.00 33.01 31.48 3brn s GLN 67 CO 0.00 0.25 0.68 -1.64 -0.25 0.00 0.00 175.29 174.33 3brn s MET 68 N -3.15 3.58 0.33 2.91 -1.94 -1.26 0.65 119.30 120.42 3brn s MET 68 Ca 0.20 -0.01 -0.17 0.00 -1.71 0.00 0.00 55.69 54.00 3brn s MET 68 Cb -0.04 -3.85 -0.09 0.00 2.01 0.00 0.00 34.83 32.86 3brn s MET 68 CO 0.08 -0.85 0.77 0.96 -0.01 0.00 0.00 175.02 175.97 3brn s ILE 69 N 2.86 4.61 -0.07 2.53 -4.36 -0.74 -4.94 121.20 121.09 3brn s ILE 69 Ca 0.26 1.10 0.05 0.00 -0.26 0.00 0.00 60.65 61.79 3brn s ILE 69 Cb -0.14 -3.65 -0.00 0.00 1.25 0.00 0.00 42.46 39.92 3brn s ILE 69 CO 0.17 -0.14 -0.22 -1.10 0.24 0.00 0.00 174.94 173.89 3brn s GLN 70 N -2.85 2.45 0.34 0.37 -0.21 -1.26 -3.39 119.66 115.11 3brn s GLN 70 Ca 0.54 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 55.17 3brn s GLN 70 Cb -0.11 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.84 3brn s GLN 70 CO 0.17 0.26 0.06 -0.51 -2.12 0.00 0.00 175.29 173.15 3brn s LEU 71 N 0.11 2.25 -0.02 2.90 1.43 0.35 -4.97 118.68 120.73 3brn s LEU 71 Ca -0.09 -1.40 0.07 0.00 -1.03 0.00 0.00 54.13 51.67 3brn s LEU 71 Cb -0.15 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 3brn s LEU 71 CO 0.05 -0.61 -0.22 -0.89 0.23 0.00 0.00 176.35 174.90 3brn s THR 72 N -3.22 2.38 0.05 5.49 2.01 -1.26 -1.70 115.64 119.39 3brn s THR 72 Ca 0.35 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3brn s THR 72 Cb 0.08 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 3brn s THR 72 CO 0.16 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 174.69 3brn n ALA 73 N 2.33 0.10 -3.03 7.40 0.00 -0.32 -4.80 120.51 122.19 3brn n ALA 73 Ca -0.16 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 3brn n ALA 73 Cb 0.51 0.24 -0.17 0.00 0.00 0.00 0.00 19.45 20.04 3brn n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3brn s THR 74 N -2.23 1.79 0.05 0.00 2.01 -0.39 -1.37 115.64 115.50 3brn s THR 74 Ca 0.06 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.25 3brn s THR 74 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 3brn s THR 74 CO 0.04 0.50 -0.22 0.54 -0.69 0.00 0.00 174.62 174.79 3brn s VAL 75 N 0.16 2.46 0.01 3.82 0.11 -0.18 -0.74 120.40 126.04 3brn s VAL 75 Ca -0.10 -1.32 0.04 0.00 -2.93 0.00 0.00 61.98 57.67 3brn s VAL 75 Cb -0.15 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.68 3brn s VAL 75 CO 0.05 0.34 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.13 3brn s THR 76 N -0.88 1.07 -0.14 5.04 2.01 0.18 -1.62 115.64 121.30 3brn s THR 76 Ca 0.13 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3brn s THR 76 Cb -0.10 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.51 3brn s THR 76 CO 0.04 0.17 -0.12 0.68 -0.69 0.00 0.00 174.62 174.70 3brn s VAL 77 N -0.54 1.40 -0.17 3.82 -7.23 -1.01 0.94 120.40 117.61 3brn s VAL 77 Ca 0.04 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.63 3brn s VAL 77 Cb -0.06 -1.35 0.08 0.00 0.56 0.00 0.00 36.38 35.61 3brn s VAL 77 CO 0.00 0.41 0.21 0.20 -0.31 0.00 0.00 175.10 175.62 3brn s ASN 78 N 1.56 1.15 1.50 4.85 -0.87 -0.35 -0.35 114.94 122.43 3brn s ASN 78 Ca 0.05 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 3brn s ASN 78 Cb -0.13 0.38 0.00 0.00 -0.02 0.00 0.00 41.25 41.48 3brn s ASN 78 CO -0.10 -0.30 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 3brn n GLY 79 N 5.32 2.13 1.63 0.66 0.00 -1.26 -1.77 105.19 111.90 3brn n GLY 79 Ca -0.05 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.62 3brn n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3brn n ASP 80 N 5.67 4.59 -4.65 1.61 5.68 -1.20 -0.72 116.55 127.53 3brn n ASP 80 Ca 0.00 -2.78 -0.35 0.00 -0.50 0.00 0.00 54.79 51.16 3brn n ASP 80 Cb 0.00 -0.66 -0.10 0.00 -1.14 0.00 0.00 41.12 39.22 3brn n ASP 80 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3brn s LYS 81 N -2.40 3.56 -0.29 0.11 -0.14 -0.73 -0.86 119.74 118.98 3brn s LYS 81 Ca 0.43 -0.38 -0.06 0.00 -1.36 0.00 0.00 55.97 54.60 3brn s LYS 81 Cb 0.33 -3.02 0.02 0.00 -1.68 0.00 0.00 37.83 33.48 3brn s LYS 81 CO 0.12 0.45 0.06 0.42 -0.76 0.00 0.00 175.35 175.64 3brn s ILE 82 N -0.16 3.69 -0.29 2.17 1.01 0.31 -1.21 121.20 126.73 3brn s ILE 82 Ca 0.06 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 3brn s ILE 82 Cb -0.12 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 3brn s ILE 82 CO 0.02 0.05 0.12 -0.70 0.00 0.00 0.00 174.94 174.42 3brn s GLU 83 N 1.44 3.47 -0.12 2.79 2.12 0.27 -0.13 118.70 128.54 3brn s GLU 83 Ca 0.01 -0.62 -0.04 0.00 0.36 0.00 0.00 54.97 54.68 3brn s GLU 83 Cb -0.18 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 3brn s GLU 83 CO 0.01 -0.32 0.05 0.08 -0.54 0.00 0.00 175.26 174.54 3brn s VAL 84 N 1.61 4.75 -0.02 3.70 1.01 0.50 0.49 120.40 132.44 3brn s VAL 84 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3brn s VAL 84 Cb -0.16 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.18 3brn s VAL 84 CO 0.05 0.58 -0.03 0.42 0.00 0.00 0.00 175.10 176.13 3brn s THR 85 N -0.67 0.29 0.00 3.92 -4.23 0.09 -1.06 115.64 113.98 3brn s THR 85 Ca 0.11 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 3brn s THR 85 Cb -0.12 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.42 3brn s THR 85 CO 0.02 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 3brn n GLY 86 N 3.47 0.78 0.00 3.99 0.00 -1.26 -1.26 105.19 110.90 3brn n GLY 86 Ca -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3brn n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brn n ALA 87 N -0.82 0.00 -0.05 4.61 0.00 -1.26 -4.58 120.51 118.40 3brn n ALA 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3brn n ALA 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3brn n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3brn n LEU 91 N 0.00 0.08 -4.67 0.00 7.94 -1.26 -5.14 117.00 113.95 3brn n LEU 91 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 3brn n LEU 91 Cb 0.00 -0.51 -0.02 0.00 0.53 0.00 0.00 43.42 43.42 3brn n LEU 91 CO 0.00 -0.04 0.92 -0.44 -1.11 0.00 0.00 177.39 176.72 3brn s SER 92 N -2.28 7.11 0.00 1.96 0.01 -1.26 -4.66 113.70 114.57 3brn s SER 92 Ca 0.00 1.52 0.00 0.00 1.31 0.00 0.00 55.95 58.78 3brn s SER 92 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3brn s SER 92 CO 0.00 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.64 3brn n GLY 93 N 3.32 0.49 3.39 3.44 0.00 -0.23 -4.95 105.19 110.65 3brn n GLY 93 Ca 0.11 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 3brn n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3brn s THR 94 N -3.44 3.75 -0.08 2.61 2.01 -1.26 -0.37 115.64 118.86 3brn s THR 94 Ca 0.00 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3brn s THR 94 Cb 0.00 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 3brn s THR 94 CO 0.00 0.41 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.34 3brn s THR 95 N 1.26 3.24 -0.15 -0.82 2.01 0.82 -3.49 115.64 118.51 3brn s THR 95 Ca 0.03 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 3brn s THR 95 Cb -0.15 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 3brn s THR 95 CO 0.00 0.57 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.59 3brn s THR 96 N -0.42 3.99 -0.60 -0.82 2.01 -0.80 0.12 115.64 119.11 3brn s THR 96 Ca 0.05 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.48 3brn s THR 96 Cb -0.12 -2.74 0.05 0.00 0.01 0.00 0.00 72.50 69.69 3brn s THR 96 CO 0.02 0.50 1.01 -0.69 -0.69 0.00 0.00 174.62 174.77 3brn s VAL 97 N 0.22 4.27 -0.10 3.82 1.01 -0.04 -1.13 120.40 128.45 3brn s VAL 97 Ca -0.02 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 3brn s VAL 97 Cb -0.14 -4.64 -0.27 0.00 0.00 0.00 0.00 36.38 31.34 3brn s VAL 97 CO 0.03 -1.31 0.85 -0.07 0.00 0.00 0.00 175.10 174.60 3brn h LEU 98 N 11.38 0.15 -7.94 3.92 3.38 -1.65 -3.43 115.31 121.12 3brn h LEU 98 Ca -0.27 -0.94 -0.11 0.00 0.09 0.00 0.00 57.88 56.65 3brn h LEU 98 Cb 1.07 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 3brn h LEU 98 CO 1.14 1.08 -0.50 0.12 0.09 0.00 0.00 178.44 180.37 3brn s PHE 99 N -2.45 0.25 -0.16 1.13 5.36 -1.07 -4.90 117.98 116.15 3brn s PHE 99 Ca -0.17 -0.65 -0.35 0.00 -0.96 0.00 0.00 56.93 54.80 3brn s PHE 99 Cb -0.01 -0.17 0.14 0.00 -0.34 0.00 0.00 43.02 42.64 3brn s PHE 99 CO 0.73 -0.43 1.31 0.45 -1.46 0.00 0.00 175.22 175.82 3brn s SER 100 N -2.56 -0.06 0.00 6.13 0.15 -1.26 -1.29 113.70 114.80 3brn s SER 100 Ca 0.01 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.66 3brn s SER 100 Cb 0.03 0.09 0.07 0.00 -1.71 0.00 0.00 66.02 64.50 3brn s SER 100 CO -0.08 -0.16 0.90 -0.90 1.20 0.00 0.00 173.24 174.20 3brn n ASP 101 N -0.23 1.90 -2.88 5.45 5.75 -1.23 -4.99 116.55 120.33 3brn n ASP 101 Ca -0.02 -1.66 -0.19 0.00 -0.01 0.00 0.00 54.79 52.91 3brn n ASP 101 Cb 0.60 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3brn n ASP 101 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3brn n TYR 102 N -0.02 -1.63 0.03 2.11 4.01 -1.26 -4.72 117.16 115.68 3brn n TYR 102 Ca 0.03 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 3brn n TYR 102 Cb 0.22 -3.33 0.00 0.00 -0.31 0.00 0.00 39.34 35.92 3brn n TYR 102 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3brn n ARG 103 N -3.42 0.00 -0.18 -0.72 5.12 -1.26 -3.44 116.66 112.76 3brn n ARG 103 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3brn n ARG 103 Cb 0.60 -0.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 3brn n ARG 103 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3brn n SER 104 N -2.87 0.00 -3.58 0.55 3.41 -1.26 -3.02 113.62 106.85 3brn n SER 104 Ca 0.00 -1.02 -0.07 0.00 -0.26 0.00 0.00 58.87 57.52 3brn n SER 104 Cb 0.09 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3brn n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3brn s ASP 106 N -1.65 -0.28 -0.11 0.00 1.01 -0.27 -3.51 116.67 111.86 3brn s ASP 106 Ca 0.04 0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.54 3brn s ASP 106 Cb -0.01 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.28 3brn s ASP 106 CO -0.04 -0.47 -0.22 -0.69 0.21 0.00 0.00 175.17 173.96 3brn s VAL 107 N -1.29 1.97 0.26 -1.27 1.01 -0.42 -1.00 120.40 119.66 3brn s VAL 107 Ca -0.13 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 60.96 3brn s VAL 107 Cb -0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3brn s VAL 107 CO 0.05 0.54 -0.08 -0.04 0.00 0.00 0.00 175.10 175.57 3brn s MET 108 N 0.50 1.49 -0.27 2.72 1.00 0.11 -1.65 119.30 123.19 3brn s MET 108 Ca -0.15 -1.74 -0.10 0.00 0.00 0.00 0.00 55.69 53.70 3brn s MET 108 Cb -0.17 -1.13 -0.05 0.00 0.00 0.00 0.00 34.83 33.48 3brn s MET 108 CO 0.06 0.07 0.17 0.50 0.00 0.00 0.00 175.02 175.81 3brn s ARG 109 N -3.71 3.93 1.21 2.03 3.52 -0.28 -0.71 118.95 124.93 3brn s ARG 109 Ca 0.28 -0.33 -0.20 0.00 -0.13 0.00 0.00 55.73 55.35 3brn s ARG 109 Cb 0.03 -3.60 0.29 0.00 -1.56 0.00 0.00 34.95 30.11 3brn s ARG 109 CO 0.11 -0.14 1.12 0.20 -0.81 0.00 0.00 175.30 175.77 3brn s GLY 110 N 1.63 1.59 0.14 8.12 0.00 0.69 -1.90 107.32 117.60 3brn s GLY 110 Ca 0.07 -1.00 -0.22 0.00 0.00 0.00 0.00 44.72 43.56 3brn s GLY 110 CO 0.09 -0.10 1.64 -2.55 0.00 0.00 0.00 173.10 172.18 3brn h PRO 111 N -2.60 -0.24 0.00 2.90 0.11 -1.86 -3.43 132.00 126.89 3brn h PRO 111 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3brn h PRO 111 Cb 1.29 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3brn h PRO 111 CO 0.32 -0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 177.71 3brn n ASP 112 N -5.36 0.00 -4.68 -2.05 9.92 -1.26 -4.88 116.55 108.25 3brn n ASP 112 Ca -0.02 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.82 3brn n ASP 112 Cb 0.27 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.73 3brn n ASP 112 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3brn s GLY 113 N 0.00 1.84 0.00 0.44 0.00 -1.26 -4.87 107.32 103.47 3brn s GLY 113 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3brn s GLY 113 CO 0.00 2.47 0.00 0.70 0.00 0.00 0.00 173.10 176.27 3brn n ASN 114 N 5.84 0.00 -4.83 1.64 3.02 -1.26 -4.18 115.26 115.49 3brn n ASN 114 Ca 0.13 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 3brn n ASN 114 Cb 0.45 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 3brn n ASN 114 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3brn s TYR 115 N 2.39 3.74 -0.05 3.10 2.02 -1.26 0.25 117.35 127.54 3brn s TYR 115 Ca 0.00 1.04 0.03 0.00 -0.37 0.00 0.00 57.07 57.77 3brn s TYR 115 Cb 0.00 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 3brn s TYR 115 CO 0.00 0.63 -0.13 -1.21 -1.57 0.00 0.00 175.55 173.28 3brn s GLU 116 N -1.10 1.53 -0.26 -0.62 2.02 0.11 -3.63 118.70 116.76 3brn s GLU 116 Ca 0.25 -0.44 -0.11 0.00 0.02 0.00 0.00 54.97 54.69 3brn s GLU 116 Cb -0.17 -1.31 -0.05 0.00 0.10 0.00 0.00 34.13 32.70 3brn s GLU 116 CO 0.14 0.11 0.20 -1.17 0.02 0.00 0.00 175.26 174.56 3brn s LEU 117 N 0.38 4.07 -0.07 1.80 2.96 -0.10 -0.72 118.68 127.01 3brn s LEU 117 Ca -0.09 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3brn s LEU 117 Cb -0.13 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 3brn s LEU 117 CO 0.02 -0.01 -0.11 0.26 -1.32 0.00 0.00 176.35 175.19 3brn s TRP 118 N 1.44 2.80 -0.04 5.38 0.52 -0.17 -0.78 118.94 128.08 3brn s TRP 118 Ca 0.09 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.05 3brn s TRP 118 Cb -0.15 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 3brn s TRP 118 CO 0.08 0.17 -0.08 0.08 0.02 0.00 0.00 176.95 177.21 3brn s VAL 119 N -0.57 0.80 0.60 4.03 1.01 -0.68 -1.12 120.40 124.48 3brn s VAL 119 Ca 0.08 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 3brn s VAL 119 Cb -0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3brn s VAL 119 CO 0.02 0.27 1.30 -2.28 0.00 0.00 0.00 175.10 174.41 3brn s HIS 120 N 0.57 2.20 0.30 5.22 2.46 -1.16 -0.86 115.29 124.02 3brn s HIS 120 Ca -0.09 1.45 0.06 0.00 0.47 0.00 0.00 55.06 56.94 3brn s HIS 120 Cb -0.13 -3.69 0.73 0.00 -0.13 0.00 0.00 32.58 29.36 3brn s HIS 120 CO 0.01 -2.79 1.78 0.66 -2.47 0.00 0.00 174.74 171.93 3brn h SER 121 N 0.91 0.80 0.25 9.88 4.64 -1.26 -0.15 113.55 128.62 3brn h SER 121 Ca -0.51 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3brn h SER 121 Cb 1.32 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3brn h SER 121 CO 0.55 0.29 -0.13 0.77 -0.87 0.00 0.00 176.83 177.43 3brn h SER 122 N 0.78 0.00 -0.10 4.97 4.64 -1.91 -3.15 113.55 118.78 3brn h SER 122 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3brn h SER 122 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3brn h SER 122 CO -0.38 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 175.72 3brn n ALA 123 N -2.38 2.41 0.08 5.18 0.00 -0.19 -4.69 120.51 120.93 3brn n ALA 123 Ca -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 53.44 52.73 3brn n ALA 123 Cb 0.22 -0.42 0.43 0.00 0.00 0.00 0.00 19.45 19.69 3brn n ALA 123 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3brn h ILE 124 N 2.30 1.13 -0.39 0.00 6.09 -1.19 -2.90 117.51 122.54 3brn h ILE 124 Ca 0.00 -0.44 -0.21 0.00 -1.37 0.00 0.00 64.86 62.84 3brn h ILE 124 Cb 0.55 0.88 -0.12 0.00 0.47 0.00 0.00 36.82 38.60 3brn h ILE 124 CO 0.00 0.16 0.27 0.59 -3.07 0.00 0.00 178.15 176.10 3brn n ASN 125 N -4.39 3.69 -4.95 2.19 4.13 -1.26 -4.88 115.26 109.80 3brn n ASN 125 Ca 0.01 -2.67 -0.24 0.00 1.68 0.00 0.00 54.58 53.35 3brn n ASN 125 Cb 0.16 -0.69 -0.02 0.00 -1.54 0.00 0.00 39.78 37.68 3brn n ASN 125 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3brn s LEU 126 N -1.32 4.24 0.00 3.41 1.43 -1.10 -4.99 118.68 120.35 3brn s LEU 126 Ca 0.23 0.26 0.22 0.00 -1.03 0.00 0.00 54.13 53.81 3brn s LEU 126 Cb 0.19 -3.05 0.57 0.00 0.03 0.00 0.00 46.19 43.93 3brn s LEU 126 CO 0.04 -0.08 1.49 0.00 0.23 0.00 0.00 176.35 178.03 3brn n GLN 127 N -1.08 2.58 -3.65 1.70 1.13 -1.26 -4.87 117.38 111.93 3brn n GLN 127 Ca -0.06 -2.44 -0.05 0.00 -1.94 0.00 0.00 57.00 52.51 3brn n GLN 127 Cb 0.55 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 29.31 3brn n GLN 127 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3brn s SER 128 N -1.15 -0.92 -0.72 1.08 0.15 -1.26 -5.05 113.70 105.82 3brn s SER 128 Ca 0.45 1.43 -0.00 0.00 0.70 0.00 0.00 55.95 58.53 3brn s SER 128 Cb 0.24 1.78 0.38 0.00 -1.71 0.00 0.00 66.02 66.72 3brn s SER 128 CO 0.32 -0.23 1.82 -1.22 1.20 0.00 0.00 173.24 175.14 3brn n TYR 129 N 5.00 3.09 0.00 3.44 4.01 -1.26 -5.02 117.16 126.43 3brn n TYR 129 Ca -0.15 -2.57 0.00 0.00 -0.16 0.00 0.00 57.90 55.02 3brn n TYR 129 Cb 0.53 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 3brn n TYR 129 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3brn n GLY 130 N -0.59 1.56 0.24 2.72 0.00 -1.26 -0.41 105.19 107.45 3brn n GLY 130 Ca 0.52 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.58 3brn n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brn h ASP 133 N 0.23 0.45 0.18 0.00 3.58 0.93 -0.07 116.42 121.72 3brn h ASP 133 Ca 0.07 0.14 -0.27 0.00 0.42 0.00 0.00 57.03 57.39 3brn h ASP 133 Cb 0.46 0.09 0.02 0.00 1.72 0.00 0.00 39.33 41.62 3brn h ASP 133 CO 0.02 -0.06 -1.25 0.74 -2.88 0.00 0.00 179.24 175.81 3brn h THR 134 N 0.32 1.28 -0.29 2.25 2.02 -0.83 -2.75 112.91 114.91 3brn h THR 134 Ca 0.70 -2.55 -0.09 0.00 0.77 0.00 0.00 66.41 65.24 3brn h THR 134 Cb 1.78 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 71.18 3brn h THR 134 CO -0.46 0.76 -0.21 0.50 0.37 0.00 0.00 175.52 176.48 3brn h LYS 135 N -0.15 0.53 -0.08 6.66 1.63 -0.02 -2.21 116.57 122.94 3brn h LYS 135 Ca -0.23 -0.19 -0.18 0.00 -0.85 0.00 0.00 60.65 59.20 3brn h LYS 135 Cb 1.88 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.46 3brn h LYS 135 CO 0.17 0.71 -0.70 0.35 -3.45 0.00 0.00 179.45 176.53 3brn h PHE 136 N 0.48 0.49 -0.47 1.91 3.57 -1.12 -2.58 116.94 119.22 3brn h PHE 136 Ca 0.08 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 61.41 3brn h PHE 136 Cb 0.63 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3brn h PHE 136 CO 0.02 0.95 0.31 0.00 -2.23 0.00 0.00 178.31 177.37 3brn h ALA 137 N 0.99 1.87 0.04 2.41 0.00 -1.12 -2.26 119.26 121.20 3brn h ALA 137 Ca -0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 3brn h ALA 137 Cb 1.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3brn h ALA 137 CO 0.12 0.06 -1.66 1.96 0.00 0.00 0.00 179.25 179.73 3brn h GLN 138 N 0.45 0.08 0.00 0.00 4.20 -1.20 -3.17 115.11 115.47 3brn h GLN 138 Ca 0.20 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 3brn h GLN 138 Cb 0.22 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3brn h GLN 138 CO -0.05 0.76 -1.13 -0.39 -0.67 0.00 0.00 178.83 177.35 3brn h VAL 139 N 0.02 0.82 -1.11 -0.54 -1.51 -1.48 -3.34 116.25 109.11 3brn h VAL 139 Ca -0.27 -2.35 -0.58 0.00 -1.23 0.00 0.00 66.70 62.26 3brn h VAL 139 Cb 1.99 2.31 -0.41 0.00 -2.13 0.00 0.00 31.29 33.05 3brn h VAL 139 CO 0.10 0.47 -0.58 0.00 -1.23 0.00 0.00 177.57 176.32 3brn n ALA 140 N -2.36 5.20 -1.79 5.19 0.00 -0.85 -4.98 120.51 120.92 3brn n ALA 140 Ca -0.06 -3.98 -0.37 0.00 0.00 0.00 0.00 53.44 49.03 3brn n ALA 140 Cb 0.85 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 3brn n ALA 140 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3brn s GLY 141 N -3.34 2.81 0.00 0.00 0.00 -1.20 -3.85 107.32 101.73 3brn s GLY 141 Ca 0.51 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.74 3brn s GLY 141 CO -0.07 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.60 3brn n GLY 142 N 0.60 1.00 3.60 0.20 0.00 -1.26 -4.96 105.19 104.38 3brn n GLY 142 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3brn n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3brn n ARG 143 N 0.00 -0.54 -2.27 1.61 1.74 -1.25 -4.97 116.66 110.98 3brn n ARG 143 Ca 0.00 -0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.59 3brn n ARG 143 Cb 0.00 -2.25 -0.02 0.00 -1.02 0.00 0.00 32.46 29.16 3brn n ARG 143 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3brn s PRO 144 N -4.41 4.25 -0.18 5.56 0.04 -1.26 -5.04 135.00 133.97 3brn s PRO 144 Ca 0.65 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.65 3brn s PRO 144 Cb -0.23 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.44 3brn s PRO 144 CO 0.60 -0.18 -0.18 0.42 0.04 0.00 0.00 177.00 177.70 3brn s ILE 145 N -1.28 2.26 -0.10 0.56 1.01 -1.26 -4.71 121.20 117.68 3brn s ILE 145 Ca 0.52 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 3brn s ILE 145 Cb -0.34 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3brn s ILE 145 CO 0.44 0.53 0.53 -1.00 0.00 0.00 0.00 174.94 175.43 3brn s HIS 146 N 1.20 3.54 -0.80 3.97 3.76 -0.09 -4.94 115.29 121.93 3brn s HIS 146 Ca 0.02 0.98 -0.15 0.00 -0.15 0.00 0.00 55.06 55.76 3brn s HIS 146 Cb -0.14 -2.60 0.20 0.00 1.11 0.00 0.00 32.58 31.15 3brn s HIS 146 CO -0.09 0.17 0.77 -1.01 -0.85 0.00 0.00 174.74 173.73 3brn s HIS 147 N 0.59 3.62 0.14 1.40 0.09 -1.26 -1.64 115.29 118.23 3brn s HIS 147 Ca 0.28 -1.83 -0.01 0.00 -0.00 0.00 0.00 55.06 53.51 3brn s HIS 147 Cb -0.16 -3.87 -0.09 0.00 -0.00 0.00 0.00 32.58 28.46 3brn s HIS 147 CO 0.12 -1.05 1.31 1.15 -0.00 0.00 0.00 174.74 176.27 3brn h THR 148 N 5.04 1.47 -3.36 1.30 2.02 -1.75 -3.42 112.91 114.21 3brn h THR 148 Ca 0.06 -2.67 -0.57 0.00 0.77 0.00 0.00 66.41 64.00 3brn h THR 148 Cb 1.05 2.55 -0.06 0.00 -1.74 0.00 0.00 68.15 69.94 3brn h THR 148 CO 0.83 0.78 0.18 0.86 0.37 0.00 0.00 175.52 178.54 3brn s TRP 149 N -3.11 3.52 0.36 3.16 -0.00 -1.09 -1.35 118.94 120.43 3brn s TRP 149 Ca -0.04 1.24 0.09 0.00 -0.00 0.00 0.00 56.10 57.39 3brn s TRP 149 Cb 0.09 -2.87 -0.07 0.00 -0.00 0.00 0.00 33.47 30.62 3brn s TRP 149 CO 0.85 -0.02 -0.06 -0.65 -0.00 0.00 0.00 176.95 177.07 3brn s GLN 150 N 1.24 1.86 0.55 5.86 -1.52 -1.26 -5.01 119.66 121.38 3brn s GLN 150 Ca 0.38 -1.99 0.23 0.00 -1.95 0.00 0.00 55.36 52.03 3brn s GLN 150 Cb -0.17 -1.67 1.52 0.00 -0.22 0.00 0.00 33.01 32.47 3brn s GLN 150 CO 0.16 0.08 2.18 0.00 -0.25 0.00 0.00 175.29 177.46 3brn h THR 151 N 1.94 0.75 -0.36 -0.19 1.03 -1.99 -2.07 112.91 112.02 3brn h THR 151 Ca -0.43 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 3brn h THR 151 Cb 1.25 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 3brn h THR 151 CO 0.74 0.03 0.00 0.00 -0.01 0.00 0.00 175.52 176.28 3brn n TYR 152 N -4.10 0.51 -2.51 0.00 -0.00 -1.26 -4.86 117.16 104.94 3brn n TYR 152 Ca -0.03 -0.25 -0.41 0.00 -0.00 0.00 0.00 57.90 57.21 3brn n TYR 152 Cb 0.12 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.41 3brn n TYR 152 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3brn s PRO 154 N -0.01 1.05 0.98 0.00 0.02 -1.26 -5.02 135.00 130.77 3brn s PRO 154 Ca 0.51 1.10 -0.11 0.00 0.02 0.00 0.00 61.00 62.52 3brn s PRO 154 Cb -0.29 -1.76 0.18 0.00 0.02 0.00 0.00 34.50 32.65 3brn s PRO 154 CO 0.33 -2.46 1.10 -2.14 -0.33 0.00 0.00 177.00 173.50 3brn s PRO 155 N -4.78 0.49 0.45 5.54 0.02 -1.26 -4.97 135.00 130.49 3brn s PRO 155 Ca 0.65 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 62.72 3brn s PRO 155 Cb -0.20 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 3brn s PRO 155 CO 0.58 -2.90 0.98 -0.51 -0.33 0.00 0.00 177.00 174.83 3brn s LEU 156 N -6.74 3.91 0.00 -5.54 1.43 -1.26 -4.97 118.68 105.51 3brn s LEU 156 Ca 0.67 1.78 0.06 0.00 -1.03 0.00 0.00 54.13 55.61 3brn s LEU 156 Cb -0.23 -4.54 0.38 0.00 0.03 0.00 0.00 46.19 41.83 3brn s LEU 156 CO 0.60 -0.51 0.84 -0.81 0.23 0.00 0.00 176.35 176.70