#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bys s PRO 3 N 0.00 4.09 0.19 5.31 0.02 -1.26 -4.75 135.00 138.61 1bys s PRO 3 Ca 0.00 1.87 -0.13 0.00 0.02 0.00 0.00 61.00 62.76 1bys s PRO 3 Cb 0.00 -2.72 0.01 0.00 0.02 0.00 0.00 34.50 31.80 1bys s PRO 3 CO 0.00 -0.30 0.41 -1.54 -0.33 0.00 0.00 177.00 175.25 1bys s SER 4 N -1.07 -0.10 -0.02 2.53 1.04 -0.94 -5.00 113.70 110.13 1bys s SER 4 Ca 0.56 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1bys s SER 4 Cb -0.32 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1bys s SER 4 CO 0.40 -1.00 -0.01 -0.69 0.98 0.00 0.00 173.24 172.91 1bys s VAL 5 N -3.94 0.23 0.17 5.02 1.01 -1.26 -0.21 120.40 121.41 1bys s VAL 5 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1bys s VAL 5 Cb 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1bys s VAL 5 CO 0.01 0.13 -0.08 -1.10 0.00 0.00 0.00 175.10 174.06 1bys s GLN 6 N 0.68 2.14 0.03 2.72 -0.21 -0.38 -4.96 119.66 119.68 1bys s GLN 6 Ca -0.07 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.13 1bys s GLN 6 Cb -0.10 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 1bys s GLN 6 CO -0.01 0.45 -0.06 0.54 -2.12 0.00 0.00 175.29 174.09 1bys s VAL 7 N -1.63 0.43 0.05 1.09 0.11 -1.26 -1.03 120.40 118.16 1bys s VAL 7 Ca 0.25 -0.89 -0.04 0.00 -2.93 0.00 0.00 61.98 58.37 1bys s VAL 7 Cb -0.09 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1bys s VAL 7 CO 0.16 -0.32 0.05 -0.83 -3.33 0.00 0.00 175.10 170.83 1bys s GLY 8 N -1.29 0.28 0.17 6.54 0.00 0.43 -4.90 107.32 108.54 1bys s GLY 8 Ca -0.09 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.86 1bys s GLY 8 CO 0.00 -0.94 -0.07 -0.19 0.00 0.00 0.00 173.10 171.90 1bys s TYR 9 N -3.17 1.34 0.15 1.90 2.02 -1.26 -0.86 117.35 117.47 1bys s TYR 9 Ca -0.00 -0.81 0.08 0.00 -0.37 0.00 0.00 57.07 55.97 1bys s TYR 9 Cb 0.02 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1bys s TYR 9 CO -0.07 0.04 -0.18 -1.12 -1.57 0.00 0.00 175.55 172.65 1bys s SER 10 N -3.20 2.53 -0.00 2.29 0.01 -0.67 -1.48 113.70 113.17 1bys s SER 10 Ca 0.20 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1bys s SER 10 Cb 0.03 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1bys s SER 10 CO 0.03 -0.04 0.92 -0.81 0.41 0.00 0.00 173.24 173.75 1bys n PRO 11 N 0.45 1.05 -0.33 12.44 -0.04 -0.89 -1.58 135.00 146.10 1bys n PRO 11 Ca -0.15 -0.07 0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1bys n PRO 11 Cb 0.57 -1.11 0.36 0.00 -0.04 0.00 0.00 33.50 33.27 1bys n PRO 11 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bys h GLU 12 N 0.10 0.48 0.00 0.54 3.07 -1.85 -3.45 114.58 113.48 1bys h GLU 12 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1bys h GLU 12 Cb 0.12 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1bys h GLU 12 CO 0.00 0.32 0.00 0.41 -1.40 0.00 0.00 179.01 178.34 1bys n GLY 13 N -1.32 2.40 0.16 -3.84 0.00 -0.85 -4.97 105.19 96.76 1bys n GLY 13 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1bys n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bys h SER 14 N 0.00 0.00 0.07 1.61 4.64 -1.79 -3.00 113.55 115.08 1bys h SER 14 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bys h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bys h SER 14 CO 0.00 0.52 -0.03 0.00 -0.87 0.00 0.00 176.83 176.44 1bys h ALA 15 N 1.48 -0.09 -0.16 5.18 0.00 -1.44 -1.45 119.26 122.78 1bys h ALA 15 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1bys h ALA 15 Cb 0.92 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1bys h ALA 15 CO 0.07 -0.43 -0.15 -0.09 0.00 0.00 0.00 179.25 178.65 1bys h ARG 16 N -0.35 -0.16 -0.99 0.00 2.43 -1.81 -0.29 114.38 113.21 1bys h ARG 16 Ca -0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1bys h ARG 16 Cb 0.30 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1bys h ARG 16 CO 0.02 -0.11 0.65 0.28 -1.51 0.00 0.00 179.97 179.30 1bys h VAL 17 N -0.17 1.24 -0.58 0.20 2.07 -1.51 -0.80 116.25 116.69 1bys h VAL 17 Ca 0.10 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1bys h VAL 17 Cb 0.32 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1bys h VAL 17 CO -0.26 0.24 0.10 0.25 0.02 0.00 0.00 177.57 177.91 1bys h LEU 18 N 1.32 0.92 -0.63 2.57 5.85 -0.66 0.55 115.31 125.23 1bys h LEU 18 Ca 0.37 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1bys h LEU 18 Cb -0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1bys h LEU 18 CO -0.09 0.95 -0.13 0.58 -0.34 0.00 0.00 178.44 179.41 1bys h VAL 19 N 0.86 1.27 -0.54 1.05 2.07 -0.58 -1.12 116.25 119.25 1bys h VAL 19 Ca 0.18 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1bys h VAL 19 Cb 0.42 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1bys h VAL 19 CO 0.01 0.44 0.17 -0.07 0.02 0.00 0.00 177.57 178.14 1bys h LEU 20 N 0.84 0.79 -0.75 2.57 3.38 -0.94 -2.38 115.31 118.83 1bys h LEU 20 Ca 0.13 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1bys h LEU 20 Cb 0.67 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1bys h LEU 20 CO 0.05 0.79 0.42 -1.28 0.09 0.00 0.00 178.44 178.51 1bys h SER 21 N 0.75 0.62 -0.64 -0.43 0.87 -0.51 0.16 113.55 114.38 1bys h SER 21 Ca 0.17 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1bys h SER 21 Cb 0.28 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1bys h SER 21 CO -0.01 0.38 0.26 0.00 -0.53 0.00 0.00 176.83 176.94 1bys h ALA 22 N 1.40 0.83 -0.17 6.23 0.00 -0.83 -0.65 119.26 126.07 1bys h ALA 22 Ca 0.34 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1bys h ALA 22 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bys h ALA 22 CO -0.21 0.44 -0.69 0.82 0.00 0.00 0.00 179.25 179.61 1bys h ILE 23 N 0.89 1.31 0.00 0.00 2.04 -0.92 -3.00 117.51 117.83 1bys h ILE 23 Ca 0.21 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.12 1bys h ILE 23 Cb 0.19 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1bys h ILE 23 CO -0.02 0.61 -0.10 0.44 0.00 0.00 0.00 178.15 179.08 1bys h ASP 24 N 0.49 0.00 1.79 1.72 3.32 -0.51 -2.65 116.42 120.58 1bys h ASP 24 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1bys h ASP 24 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1bys h ASP 24 CO 0.14 0.10 -0.01 0.77 -1.72 0.00 0.00 179.24 178.52 1bys h SER 25 N 0.00 0.00 -2.36 6.45 4.64 -0.97 -3.46 113.55 117.85 1bys h SER 25 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1bys h SER 25 Cb 0.52 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.65 1bys h SER 25 CO 0.01 0.01 0.98 0.00 -0.87 0.00 0.00 176.83 176.96 1bys n ALA 26 N -2.10 1.78 -0.06 5.18 0.00 -1.00 -4.88 120.51 119.43 1bys n ALA 26 Ca 0.03 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 1bys n ALA 26 Cb 0.49 -2.48 -0.09 0.00 0.00 0.00 0.00 19.45 17.37 1bys n ALA 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bys n LYS 27 N 4.72 1.99 0.00 0.00 4.76 -1.26 -4.90 118.16 123.47 1bys n LYS 27 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1bys n LYS 27 Cb 0.33 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1bys n LYS 27 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1bys n THR 28 N -2.46 0.00 -3.67 -0.18 -2.24 -1.26 -4.58 114.28 99.88 1bys n THR 28 Ca -0.19 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1bys n THR 28 Cb 0.85 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 1bys n THR 28 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bys s SER 29 N -3.62 -0.23 -0.08 3.42 1.04 -1.26 -0.68 113.70 112.29 1bys s SER 29 Ca 0.00 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 1bys s SER 29 Cb 0.00 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1bys s SER 29 CO 0.00 -0.73 0.17 -0.63 0.98 0.00 0.00 173.24 173.04 1bys s ILE 30 N -3.00 -0.12 -0.24 -1.02 1.01 -0.04 -0.39 121.20 117.40 1bys s ILE 30 Ca -0.02 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1bys s ILE 30 Cb 0.00 -0.29 0.06 0.00 0.01 0.00 0.00 42.46 42.25 1bys s ILE 30 CO -0.06 0.09 -0.04 -0.13 0.00 0.00 0.00 174.94 174.80 1bys s ARG 31 N 1.52 1.57 0.00 2.79 1.81 -0.29 -1.77 118.95 124.59 1bys s ARG 31 Ca -0.06 -1.02 0.03 0.00 -1.72 0.00 0.00 55.73 52.96 1bys s ARG 31 Cb -0.12 -2.59 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1bys s ARG 31 CO -0.06 -0.63 -0.06 1.41 -0.68 0.00 0.00 175.30 175.28 1bys s MET 32 N 1.39 2.56 -0.07 3.54 1.75 -0.52 -0.69 119.30 127.26 1bys s MET 32 Ca -0.05 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.70 1bys s MET 32 Cb -0.19 -2.51 0.01 0.00 2.84 0.00 0.00 34.83 34.98 1bys s MET 32 CO -0.07 0.60 -0.14 -1.64 -0.65 0.00 0.00 175.02 173.12 1bys s MET 33 N -1.43 1.89 0.02 4.11 -1.94 -0.31 -0.92 119.30 120.72 1bys s MET 33 Ca 0.17 -0.49 -0.06 0.00 -1.71 0.00 0.00 55.69 53.59 1bys s MET 33 Cb -0.11 -1.54 -0.00 0.00 2.01 0.00 0.00 34.83 35.19 1bys s MET 33 CO 0.08 0.07 0.12 0.00 -0.01 0.00 0.00 175.02 175.27 1bys s ALA 34 N 0.56 -0.20 0.00 3.03 0.00 -0.80 -1.52 121.76 122.83 1bys s ALA 34 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1bys s ALA 34 Cb -0.16 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1bys s ALA 34 CO 0.04 -0.26 0.00 0.98 0.00 0.00 0.00 175.76 176.52 1bys n TYR 35 N 1.13 0.00 -1.64 0.00 9.36 -1.19 -0.55 117.16 124.27 1bys n TYR 35 Ca -0.21 0.00 -0.47 0.00 3.32 0.00 0.00 57.90 60.54 1bys n TYR 35 Cb 0.57 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.24 1bys n TYR 35 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1bys n SER 36 N 0.00 2.47 -3.70 2.98 7.64 -1.26 -4.07 113.62 117.68 1bys n SER 36 Ca 0.00 1.12 -0.29 0.00 1.01 0.00 0.00 58.87 60.71 1bys n SER 36 Cb 0.00 -1.36 -0.12 0.00 -1.01 0.00 0.00 64.21 61.72 1bys n SER 36 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1bys s PHE 37 N 0.30 2.13 0.00 1.43 5.36 -1.26 -3.74 117.98 122.19 1bys s PHE 37 Ca 0.75 -2.58 0.00 0.00 -0.96 0.00 0.00 56.93 54.14 1bys s PHE 37 Cb -0.74 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.06 1bys s PHE 37 CO 0.46 -0.75 0.00 0.25 -1.46 0.00 0.00 175.22 173.72 1bys n THR 38 N 3.16 0.00 -1.59 0.12 -2.24 -0.62 -4.29 114.28 108.82 1bys n THR 38 Ca 0.14 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.48 1bys n THR 38 Cb 0.37 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1bys n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bys n ALA 39 N 0.00 1.64 -0.29 6.98 0.00 0.56 -4.85 120.51 124.55 1bys n ALA 39 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1bys n ALA 39 Cb 0.00 -2.83 0.16 0.00 0.00 0.00 0.00 19.45 16.77 1bys n ALA 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1bys h PRO 40 N 14.08 0.78 0.00 0.00 0.11 -1.97 -1.50 132.00 143.50 1bys h PRO 40 Ca -0.40 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1bys h PRO 40 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1bys h PRO 40 CO 0.97 0.52 -0.24 -0.44 -0.21 0.00 0.00 178.00 178.59 1bys h ASP 41 N 0.80 0.00 -0.14 -2.05 3.32 -1.99 -0.05 116.42 116.31 1bys h ASP 41 Ca 0.39 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.30 1bys h ASP 41 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1bys h ASP 41 CO -0.23 0.24 -0.45 0.40 -1.72 0.00 0.00 179.24 177.48 1bys h ILE 42 N 0.00 1.35 -0.47 0.35 1.08 -1.70 -2.44 117.51 115.69 1bys h ILE 42 Ca -0.00 -1.74 -0.00 0.00 -0.39 0.00 0.00 64.86 62.72 1bys h ILE 42 Cb 0.51 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.31 1bys h ILE 42 CO 0.03 0.53 0.27 0.24 -0.69 0.00 0.00 178.15 178.53 1bys h MET 43 N 0.17 0.64 -0.84 2.37 2.86 -0.77 -1.39 114.93 117.97 1bys h MET 43 Ca -0.02 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1bys h MET 43 Cb 1.08 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.53 1bys h MET 43 CO 0.10 0.48 0.49 0.87 1.06 0.00 0.00 176.91 179.90 1bys h LYS 44 N 0.62 0.78 -0.49 1.72 1.57 -0.99 -2.05 116.57 117.74 1bys h LYS 44 Ca 0.17 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 1bys h LYS 44 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1bys h LYS 44 CO -0.03 0.52 -0.22 0.00 -0.57 0.00 0.00 179.45 179.15 1bys h ALA 45 N 1.47 0.68 -0.38 3.86 0.00 -0.92 -2.52 119.26 121.45 1bys h ALA 45 Ca 0.41 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1bys h ALA 45 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1bys h ALA 45 CO -0.25 0.67 0.16 -0.07 0.00 0.00 0.00 179.25 179.76 1bys h LEU 46 N 0.86 0.51 -1.05 0.00 3.38 -0.60 -2.10 115.31 116.31 1bys h LEU 46 Ca 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1bys h LEU 46 Cb 0.80 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1bys h LEU 46 CO 0.07 0.52 -0.15 1.62 0.09 0.00 0.00 178.44 180.58 1bys h VAL 47 N 0.46 0.36 -0.12 1.22 3.04 -1.42 -1.31 116.25 118.49 1bys h VAL 47 Ca 0.13 -1.00 -0.15 0.00 -1.01 0.00 0.00 66.70 64.67 1bys h VAL 47 Cb 0.16 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 1bys h VAL 47 CO -0.01 0.15 -0.56 0.00 -1.01 0.00 0.00 177.57 176.14 1bys h ALA 48 N 1.85 0.82 -0.40 3.17 0.00 -1.18 0.18 119.26 123.70 1bys h ALA 48 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1bys h ALA 48 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bys h ALA 48 CO 0.02 0.69 -0.13 0.00 0.00 0.00 0.00 179.25 179.84 1bys h ALA 49 N 1.13 0.55 -0.01 0.00 0.00 -0.74 0.11 119.26 120.31 1bys h ALA 49 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1bys h ALA 49 Cb 1.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1bys h ALA 49 CO 0.09 0.45 -0.22 -0.22 0.00 0.00 0.00 179.25 179.36 1bys h LYS 50 N 0.60 -0.33 -0.90 0.00 1.63 -0.92 0.19 116.57 116.84 1bys h LYS 50 Ca 0.10 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.05 1bys h LYS 50 Cb 0.66 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.30 1bys h LYS 50 CO 0.05 -0.22 0.58 0.87 -3.45 0.00 0.00 179.45 177.28 1bys h LYS 51 N -0.34 0.76 0.00 1.90 6.56 -0.32 0.82 116.57 125.95 1bys h LYS 51 Ca 0.06 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1bys h LYS 51 Cb 0.42 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1bys h LYS 51 CO -0.20 0.51 0.00 0.54 -2.06 0.00 0.00 179.45 178.23 1bys n ARG 52 N -4.56 0.04 -0.08 3.15 1.74 0.36 -4.84 116.66 112.47 1bys n ARG 52 Ca 0.17 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1bys n ARG 52 Cb 0.40 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1bys n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bys n GLY 53 N -0.20 0.83 3.76 -0.13 0.00 0.28 -5.06 105.19 104.68 1bys n GLY 53 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1bys n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bys s VAL 54 N -2.05 3.09 -0.72 1.61 1.01 0.50 -4.91 120.40 118.94 1bys s VAL 54 Ca 0.00 1.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 1bys s VAL 54 Cb 0.00 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1bys s VAL 54 CO 0.00 0.26 1.21 -0.62 0.00 0.00 0.00 175.10 175.95 1bys s ASP 55 N -0.62 6.16 -0.19 3.32 2.15 0.15 -4.27 116.67 123.36 1bys s ASP 55 Ca 0.47 -0.56 -0.06 0.00 0.43 0.00 0.00 52.55 52.83 1bys s ASP 55 Cb -0.36 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.70 1bys s ASP 55 CO 0.47 -1.76 0.03 -0.69 -0.17 0.00 0.00 175.17 173.05 1bys s VAL 56 N 5.39 4.39 -0.02 1.11 1.01 -1.26 -0.86 120.40 130.16 1bys s VAL 56 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1bys s VAL 56 Cb -0.10 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.32 1bys s VAL 56 CO 0.14 0.44 0.00 -0.54 0.00 0.00 0.00 175.10 175.14 1bys s LYS 57 N 0.69 0.13 -0.04 2.72 1.02 -0.73 -3.61 119.74 119.93 1bys s LYS 57 Ca 0.02 0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.11 1bys s LYS 57 Cb -0.14 -0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 36.89 1bys s LYS 57 CO 0.02 -0.09 -0.15 0.42 -0.92 0.00 0.00 175.35 174.64 1bys s ILE 58 N 0.66 1.25 -0.15 2.17 1.01 -0.63 -1.44 121.20 124.07 1bys s ILE 58 Ca -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1bys s ILE 58 Cb -0.09 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1bys s ILE 58 CO -0.02 0.37 -0.18 -0.69 0.00 0.00 0.00 174.94 174.43 1bys s VAL 59 N 0.08 1.80 0.29 2.92 1.01 -0.10 -0.95 120.40 125.45 1bys s VAL 59 Ca -0.04 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1bys s VAL 59 Cb -0.11 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 1bys s VAL 59 CO 0.02 0.50 -0.12 0.27 0.00 0.00 0.00 175.10 175.77 1bys s ILE 60 N 1.22 2.08 0.20 2.22 -4.36 0.25 -1.90 121.20 120.91 1bys s ILE 60 Ca 0.01 -2.23 -0.30 0.00 -0.26 0.00 0.00 60.65 57.86 1bys s ILE 60 Cb -0.14 -2.44 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 1bys s ILE 60 CO -0.08 -0.32 1.41 -0.62 0.24 0.00 0.00 174.94 175.56 1bys s ASP 61 N -3.51 6.75 -0.06 4.36 2.15 0.29 -0.75 116.67 125.90 1bys s ASP 61 Ca 0.30 2.52 -0.13 0.00 0.43 0.00 0.00 52.55 55.67 1bys s ASP 61 Cb 0.01 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 39.93 1bys s ASP 61 CO 0.14 -0.65 0.52 -0.08 -0.17 0.00 0.00 175.17 174.93 1bys h GLU 62 N 5.65 -0.28 -0.61 4.34 4.81 -1.61 -3.30 114.58 123.59 1bys h GLU 62 Ca -0.44 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.89 1bys h GLU 62 Cb 1.21 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1bys h GLU 62 CO 0.81 -0.04 0.41 0.00 -0.73 0.00 0.00 179.01 179.45 1bys h ARG 63 N -1.03 0.45 -0.40 1.92 3.08 -1.93 -1.38 114.38 115.10 1bys h ARG 63 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1bys h ARG 63 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1bys h ARG 63 CO 0.05 0.30 0.00 0.41 -1.07 0.00 0.00 179.97 179.66 1bys n GLY 64 N -1.50 0.78 2.55 0.04 0.00 -1.26 -4.23 105.19 101.57 1bys n GLY 64 Ca 0.10 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1bys n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bys n ASN 65 N 0.45 3.27 -0.47 1.61 3.02 -0.52 -4.65 115.26 117.97 1bys n ASN 65 Ca 0.11 -3.26 0.06 0.00 -0.03 0.00 0.00 54.58 51.46 1bys n ASN 65 Cb 0.33 -0.49 0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1bys n ASN 65 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1bys n THR 66 N -0.31 0.00 -1.65 3.41 -2.24 -1.26 -4.57 114.28 107.67 1bys n THR 66 Ca 0.26 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1bys n THR 66 Cb 0.74 1.24 0.07 0.00 -2.10 0.00 0.00 70.33 70.28 1bys n THR 66 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bys s GLY 67 N -1.09 1.63 0.18 3.38 0.00 -1.26 -4.82 107.32 105.34 1bys s GLY 67 Ca 0.14 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.51 1bys s GLY 67 CO 0.17 0.20 1.66 -0.09 0.00 0.00 0.00 173.10 175.04 1bys h ARG 68 N -0.90 -0.00 -0.45 2.90 9.65 -1.99 -0.65 114.38 122.94 1bys h ARG 68 Ca -0.46 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.37 1bys h ARG 68 Cb 1.25 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 1bys h ARG 68 CO 0.60 -0.00 0.06 0.00 2.80 0.00 0.00 179.97 183.43 1bys h ALA 69 N 1.46 1.27 -0.01 2.80 0.00 -1.96 -0.80 119.26 122.02 1bys h ALA 69 Ca 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bys h ALA 69 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bys h ALA 69 CO -0.48 0.50 0.00 0.77 0.00 0.00 0.00 179.25 180.05 1bys h SER 70 N 0.67 0.02 -0.86 0.00 0.02 -1.54 -1.24 113.55 110.62 1bys h SER 70 Ca 0.14 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1bys h SER 70 Cb 0.33 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1bys h SER 70 CO 0.01 0.22 0.47 0.40 -1.14 0.00 0.00 176.83 176.79 1bys h ILE 71 N -0.18 1.25 -0.75 3.27 2.04 -0.76 0.30 117.51 122.68 1bys h ILE 71 Ca 0.00 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1bys h ILE 71 Cb 0.21 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1bys h ILE 71 CO -0.00 0.28 0.31 0.00 0.00 0.00 0.00 178.15 178.75 1bys h ALA 72 N 1.30 0.97 -0.21 1.87 0.00 -1.00 0.12 119.26 122.31 1bys h ALA 72 Ca 0.30 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1bys h ALA 72 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1bys h ALA 72 CO -0.05 0.58 -0.23 0.00 0.00 0.00 0.00 179.25 179.55 1bys h ALA 73 N 1.16 0.31 -0.83 0.00 0.00 -0.74 -1.88 119.26 117.27 1bys h ALA 73 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1bys h ALA 73 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1bys h ALA 73 CO -0.02 0.27 0.39 0.52 0.00 0.00 0.00 179.25 180.41 1bys h MET 74 N 0.20 1.20 -0.22 0.00 2.07 -0.19 -1.11 114.93 116.89 1bys h MET 74 Ca 0.03 -0.18 -0.04 0.00 -2.07 0.00 0.00 59.70 57.43 1bys h MET 74 Cb 0.79 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.30 1bys h MET 74 CO 0.06 0.93 -0.04 -0.91 1.07 0.00 0.00 176.91 178.02 1bys h ASN 75 N 1.18 0.41 -0.55 1.22 -0.26 -0.77 -0.94 115.58 115.88 1bys h ASN 75 Ca 0.28 -0.35 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 1bys h ASN 75 Cb 0.13 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.23 1bys h ASN 75 CO -0.03 0.66 0.27 0.22 -1.06 0.00 0.00 177.43 177.49 1bys h TYR 76 N 0.15 0.50 -0.05 1.19 3.20 -1.15 0.43 116.97 121.25 1bys h TYR 76 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1bys h TYR 76 Cb 0.47 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1bys h TYR 76 CO 0.05 0.23 -0.00 0.82 -1.64 0.00 0.00 178.16 177.62 1bys h ILE 77 N 0.52 1.26 -0.67 1.81 1.08 -1.16 -2.65 117.51 117.69 1bys h ILE 77 Ca 0.25 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 1bys h ILE 77 Cb 0.17 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 1bys h ILE 77 CO -0.18 0.21 0.37 0.00 -0.69 0.00 0.00 178.15 177.87 1bys h ALA 78 N 0.70 0.86 -0.09 1.87 0.00 -0.90 -1.59 119.26 120.11 1bys h ALA 78 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1bys h ALA 78 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bys h ALA 78 CO 0.00 0.37 0.11 -0.91 0.00 0.00 0.00 179.25 178.82 1bys h ASN 79 N 0.92 0.00 -0.18 0.00 2.35 -0.08 -1.03 115.58 117.57 1bys h ASN 79 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1bys h ASN 79 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1bys h ASN 79 CO -0.04 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.20 1bys n SER 80 N -3.74 1.70 0.00 5.81 3.41 -0.61 -4.91 113.62 115.29 1bys n SER 80 Ca -0.01 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1bys n SER 80 Cb 0.21 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1bys n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bys n GLY 81 N 1.13 0.73 3.65 5.00 0.00 -0.39 -4.99 105.19 110.32 1bys n GLY 81 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1bys n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bys s ILE 82 N -2.49 4.76 0.11 -0.61 1.01 -1.15 -4.99 121.20 117.84 1bys s ILE 82 Ca 0.00 1.76 -0.32 0.00 0.00 0.00 0.00 60.65 62.08 1bys s ILE 82 Cb 0.00 -4.21 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 1bys s ILE 82 CO 0.00 -0.14 1.78 -2.65 0.00 0.00 0.00 174.94 173.93 1bys n PRO 83 N 6.18 2.57 -4.15 2.79 -0.02 -1.24 -4.41 135.00 136.72 1bys n PRO 83 Ca 0.08 0.94 -0.17 0.00 -2.02 0.00 0.00 63.50 62.33 1bys n PRO 83 Cb 0.47 -2.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.01 1bys n PRO 83 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1bys s LEU 84 N 2.41 1.80 0.03 2.45 2.96 -1.26 -1.61 118.68 125.46 1bys s LEU 84 Ca 0.82 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1bys s LEU 84 Cb -0.55 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.80 1bys s LEU 84 CO 0.39 0.03 -0.07 -0.13 -1.32 0.00 0.00 176.35 175.25 1bys s ARG 85 N 0.18 0.50 -0.00 1.98 0.52 -0.13 -0.08 118.95 121.92 1bys s ARG 85 Ca -0.02 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1bys s ARG 85 Cb -0.06 -0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 1bys s ARG 85 CO -0.00 0.05 0.16 0.95 0.02 0.00 0.00 175.30 176.48 1bys s THR 86 N -1.20 5.22 -0.12 0.02 -4.23 0.21 -0.58 115.64 114.97 1bys s THR 86 Ca -0.08 -0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1bys s THR 86 Cb -0.09 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.34 1bys s THR 86 CO 0.00 0.31 -0.09 -0.62 -0.54 0.00 0.00 174.62 173.68 1bys s ASP 87 N -1.94 2.25 0.00 3.99 2.15 0.07 0.56 116.67 123.74 1bys s ASP 87 Ca 0.27 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 52.92 1bys s ASP 87 Cb -0.12 -0.91 0.05 0.00 -0.30 0.00 0.00 42.92 41.63 1bys s ASP 87 CO 0.18 -0.09 1.04 -1.54 -0.17 0.00 0.00 175.17 174.59 1bys n SER 88 N 4.80 2.14 0.00 -0.34 3.41 -1.26 -1.54 113.62 120.83 1bys n SER 88 Ca -0.14 -2.00 0.11 0.00 -0.26 0.00 0.00 58.87 56.57 1bys n SER 88 Cb 0.50 -0.04 0.51 0.00 -0.26 0.00 0.00 64.21 64.92 1bys n SER 88 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bys n ASN 89 N -0.34 0.00 -4.26 4.04 3.02 -1.26 -4.67 115.26 111.79 1bys n ASN 89 Ca 0.02 0.22 -0.29 0.00 -0.03 0.00 0.00 54.58 54.49 1bys n ASN 89 Cb 0.28 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 38.90 1bys n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1bys s PHE 90 N -2.77 2.13 0.45 3.10 0.40 -1.26 -4.99 117.98 115.04 1bys s PHE 90 Ca 0.16 -0.45 0.29 0.00 -0.60 0.00 0.00 56.93 56.32 1bys s PHE 90 Cb 0.14 -1.38 1.36 0.00 0.51 0.00 0.00 43.02 43.66 1bys s PHE 90 CO 0.36 -0.07 1.69 -1.35 0.70 0.00 0.00 175.22 176.54 1bys h PRO 91 N 5.68 0.16 -2.22 0.24 0.11 -1.98 -3.35 132.00 130.64 1bys h PRO 91 Ca -0.39 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 1bys h PRO 91 Cb 1.14 -0.04 -0.27 0.00 0.11 0.00 0.00 31.00 31.94 1bys h PRO 91 CO 0.47 0.10 -0.38 0.42 -0.21 0.00 0.00 178.00 178.40 1bys s ILE 92 N -5.28 -0.67 -0.82 4.15 1.01 -1.26 -4.95 121.20 113.38 1bys s ILE 92 Ca -0.07 0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 1bys s ILE 92 Cb 0.27 -0.74 0.05 0.00 0.01 0.00 0.00 42.46 42.05 1bys s ILE 92 CO 0.82 0.01 1.24 -1.58 0.00 0.00 0.00 174.94 175.42 1bys s GLN 93 N 2.62 3.32 0.02 2.79 0.74 -1.26 -4.83 119.66 123.07 1bys s GLN 93 Ca 0.04 -0.76 0.26 0.00 0.05 0.00 0.00 55.36 54.94 1bys s GLN 93 Cb -0.13 -4.58 0.66 0.00 1.10 0.00 0.00 33.01 30.06 1bys s GLN 93 CO -0.14 -2.05 1.53 1.58 -0.55 0.00 0.00 175.29 175.65 1bys n HIS 94 N 8.59 0.11 -1.73 1.67 -0.00 -1.26 -4.08 115.22 118.52 1bys n HIS 94 Ca 0.12 0.03 -0.40 0.00 0.46 0.00 0.00 57.72 57.93 1bys n HIS 94 Cb 0.49 -0.38 0.03 0.00 -0.12 0.00 0.00 29.99 30.00 1bys n HIS 94 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1bys n ASP 95 N -1.61 2.69 -3.72 0.26 9.92 -1.26 -4.67 116.55 118.16 1bys n ASP 95 Ca 0.06 1.05 -0.28 0.00 -0.53 0.00 0.00 54.79 55.08 1bys n ASP 95 Cb 0.35 -1.55 -0.12 0.00 -0.64 0.00 0.00 41.12 39.17 1bys n ASP 95 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1bys s LYS 96 N -2.53 1.66 0.01 -1.24 3.01 -1.26 -3.14 119.74 116.25 1bys s LYS 96 Ca 0.66 -2.55 0.03 0.00 -1.01 0.00 0.00 55.97 53.09 1bys s LYS 96 Cb -0.46 -2.56 -0.01 0.00 -1.01 0.00 0.00 37.83 33.79 1bys s LYS 96 CO 0.54 -1.26 -0.09 0.08 0.51 0.00 0.00 175.35 175.14 1bys s VAL 97 N -0.40 0.68 -0.18 3.17 1.01 -0.58 -3.85 120.40 120.25 1bys s VAL 97 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1bys s VAL 97 Cb -0.11 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.73 1bys s VAL 97 CO -0.11 0.08 -0.00 -0.63 0.00 0.00 0.00 175.10 174.44 1bys s ILE 98 N -0.42 0.80 -0.30 2.22 1.01 -0.62 -1.16 121.20 122.73 1bys s ILE 98 Ca 0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 1bys s ILE 98 Cb -0.05 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1bys s ILE 98 CO -0.00 -0.05 0.32 -0.63 0.00 0.00 0.00 174.94 174.57 1bys s ILE 99 N 1.75 5.21 -0.21 2.92 1.01 0.13 -0.68 121.20 131.33 1bys s ILE 99 Ca -0.01 0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.85 1bys s ILE 99 Cb -0.16 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1bys s ILE 99 CO -0.07 0.10 0.04 -0.69 0.00 0.00 0.00 174.94 174.31 1bys s VAL 100 N 1.96 4.29 -1.20 2.92 1.01 0.93 -1.14 120.40 129.17 1bys s VAL 100 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1bys s VAL 100 Cb -0.16 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1bys s VAL 100 CO 0.11 0.41 0.21 0.47 0.00 0.00 0.00 175.10 176.29 1bys n ASP 101 N 4.24 -4.16 -1.50 3.32 8.00 0.47 -1.62 116.55 125.30 1bys n ASP 101 Ca -0.17 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.17 1bys n ASP 101 Cb 0.52 -3.48 -0.05 0.00 -0.02 0.00 0.00 41.12 38.09 1bys n ASP 101 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1bys n ASN 102 N -2.03 -3.47 0.00 -2.24 5.15 -1.26 -4.65 115.26 106.76 1bys n ASN 102 Ca -0.11 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1bys n ASN 102 Cb 0.60 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 36.63 1bys n ASN 102 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1bys n VAL 103 N -2.04 0.00 -4.58 3.44 0.24 -0.91 -4.50 118.33 109.98 1bys n VAL 103 Ca -0.13 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.95 1bys n VAL 103 Cb 0.45 1.30 -0.15 0.00 -1.47 0.00 0.00 33.84 33.97 1bys n VAL 103 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1bys s THR 104 N 0.00 1.11 -0.09 3.34 2.01 -0.64 0.06 115.64 121.43 1bys s THR 104 Ca 0.00 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1bys s THR 104 Cb 0.00 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1bys s THR 104 CO 0.00 0.24 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.41 1bys s VAL 105 N -0.45 0.93 -0.14 3.82 1.01 -0.72 -0.05 120.40 124.80 1bys s VAL 105 Ca 0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1bys s VAL 105 Cb -0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1bys s VAL 105 CO -0.00 0.33 0.10 -0.70 0.00 0.00 0.00 175.10 174.84 1bys s GLU 106 N 1.32 3.64 0.39 2.72 -6.30 0.14 -0.59 118.70 120.02 1bys s GLU 106 Ca -0.03 -0.23 -0.13 0.00 -2.50 0.00 0.00 54.97 52.08 1bys s GLU 106 Cb -0.14 -3.19 0.05 0.00 0.00 0.00 0.00 34.13 30.86 1bys s GLU 106 CO -0.03 0.57 0.74 -0.08 0.02 0.00 0.00 175.26 176.48 1bys s THR 107 N -0.44 0.00 -5.00 -1.70 -1.32 -0.52 -1.60 115.64 105.06 1bys s THR 107 Ca 0.11 -1.11 0.00 0.00 -1.21 0.00 0.00 61.69 59.48 1bys s THR 107 Cb -0.12 -2.92 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1bys s THR 107 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1bys n GLY 108 N -0.55 0.99 0.14 6.08 0.00 -1.25 -0.88 105.19 109.72 1bys n GLY 108 Ca -0.07 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.11 1bys n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bys h SER 109 N 0.00 0.00 -1.19 1.61 4.64 -1.74 -3.42 113.55 113.45 1bys h SER 109 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1bys h SER 109 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1bys h SER 109 CO 0.00 0.31 1.52 0.33 -0.87 0.00 0.00 176.83 178.12 1bys n PHE 110 N -2.99 1.49 -2.43 4.77 -0.00 -1.15 -4.92 117.46 112.22 1bys n PHE 110 Ca -0.01 0.20 -0.30 0.00 -0.00 0.00 0.00 57.45 57.34 1bys n PHE 110 Cb 0.68 -2.56 -0.01 0.00 -0.00 0.00 0.00 39.48 37.58 1bys n PHE 110 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1bys s ASN 111 N 8.73 6.38 -1.33 -2.13 -0.87 -1.26 -4.81 114.94 119.64 1bys s ASN 111 Ca 1.09 1.23 -0.09 0.00 -1.57 0.00 0.00 52.86 53.52 1bys s ASN 111 Cb -0.69 -2.37 0.13 0.00 -0.02 0.00 0.00 41.25 38.30 1bys s ASN 111 CO 0.42 -0.62 2.08 0.49 -2.57 0.00 0.00 177.10 176.91 1bys n PHE 112 N -2.04 2.91 -4.17 2.20 3.72 -1.25 -4.58 117.46 114.25 1bys n PHE 112 Ca 0.04 -2.83 -0.10 0.00 -0.05 0.00 0.00 57.45 54.50 1bys n PHE 112 Cb 0.54 -2.04 -0.10 0.00 -0.94 0.00 0.00 39.48 36.95 1bys n PHE 112 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1bys s THR 113 N 0.56 0.50 0.35 4.37 -4.23 -1.26 -0.32 115.64 115.60 1bys s THR 113 Ca 0.45 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 1bys s THR 113 Cb 0.12 -1.82 0.11 0.00 1.34 0.00 0.00 72.50 72.25 1bys s THR 113 CO -0.03 -0.73 1.84 0.11 -0.54 0.00 0.00 174.62 175.27 1bys h LYS 114 N 2.91 0.24 -0.73 3.99 1.79 -1.89 -2.16 116.57 120.71 1bys h LYS 114 Ca -0.35 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.00 1bys h LYS 114 Cb 1.18 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.77 1bys h LYS 114 CO 0.64 0.46 0.28 0.00 -1.08 0.00 0.00 179.45 179.75 1bys h ALA 115 N 1.55 1.11 0.00 3.86 0.00 -1.96 -0.43 119.26 123.39 1bys h ALA 115 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1bys h ALA 115 Cb 0.53 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bys h ALA 115 CO 0.04 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.83 1bys h ALA 116 N 1.24 0.98 0.18 0.00 0.00 -1.71 -0.79 119.26 119.17 1bys h ALA 116 Ca 0.25 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.73 1bys h ALA 116 Cb 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1bys h ALA 116 CO -0.02 0.11 -1.71 0.93 0.00 0.00 0.00 179.25 178.56 1bys h GLU 117 N 0.00 0.39 0.00 0.00 5.08 -0.66 -3.43 114.58 115.95 1bys h GLU 117 Ca -0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1bys h GLU 117 Cb 0.77 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1bys h GLU 117 CO 0.01 1.30 0.00 0.25 -1.00 0.00 0.00 179.01 179.57 1bys n THR 118 N -3.58 0.35 0.02 1.13 -2.24 -0.27 -4.53 114.28 105.15 1bys n THR 118 Ca -0.23 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1bys n THR 118 Cb 1.08 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 1bys n THR 118 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bys n LYS 119 N -0.17 0.00 -1.45 -0.78 5.02 -0.43 -4.80 118.16 115.55 1bys n LYS 119 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1bys n LYS 119 Cb 0.23 -0.28 0.07 0.00 -0.02 0.00 0.00 35.03 35.03 1bys n LYS 119 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1bys s ASN 120 N -5.10 4.95 -0.08 4.39 0.01 -0.44 -4.59 114.94 114.07 1bys s ASN 120 Ca 0.00 1.67 -0.22 0.00 -0.71 0.00 0.00 52.86 53.60 1bys s ASN 120 Cb 0.00 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 1bys s ASN 120 CO 0.00 -1.73 0.64 -0.55 -1.51 0.00 0.00 177.10 173.95 1bys s SER 121 N -3.65 6.91 0.22 -1.22 0.15 -1.26 -2.10 113.70 112.75 1bys s SER 121 Ca 0.59 1.09 -0.08 0.00 0.70 0.00 0.00 55.95 58.25 1bys s SER 121 Cb -0.15 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1bys s SER 121 CO 0.55 -0.09 0.33 -1.61 1.20 0.00 0.00 173.24 173.63 1bys s GLU 122 N 0.77 1.36 0.01 5.44 0.41 -0.61 -4.91 118.70 121.16 1bys s GLU 122 Ca 0.34 -1.35 -0.00 0.00 -0.41 0.00 0.00 54.97 53.55 1bys s GLU 122 Cb -0.17 0.39 -0.01 0.00 -1.78 0.00 0.00 34.13 32.56 1bys s GLU 122 CO 0.16 -0.52 -0.00 0.54 -0.49 0.00 0.00 175.26 174.95 1bys s ASN 123 N -3.05 0.09 -0.02 -0.19 4.22 -1.26 -1.67 114.94 113.06 1bys s ASN 123 Ca 0.26 -0.19 0.01 0.00 -2.14 0.00 0.00 52.86 50.81 1bys s ASN 123 Cb 0.03 0.05 0.01 0.00 1.28 0.00 0.00 41.25 42.62 1bys s ASN 123 CO 0.08 -0.12 -0.02 0.00 -2.04 0.00 0.00 177.10 174.99 1bys s ALA 124 N -0.59 0.37 0.11 3.54 0.00 -0.04 -1.94 121.76 123.22 1bys s ALA 124 Ca -0.06 -0.01 0.09 0.00 0.00 0.00 0.00 51.96 51.98 1bys s ALA 124 Cb -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1bys s ALA 124 CO -0.00 0.01 -0.24 0.14 0.00 0.00 0.00 175.76 175.67 1bys s VAL 125 N 0.50 1.96 -0.20 0.00 -7.23 -0.06 -0.43 120.40 114.95 1bys s VAL 125 Ca -0.05 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1bys s VAL 125 Cb -0.08 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.15 1bys s VAL 125 CO -0.01 0.02 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.05 1bys s VAL 126 N -1.10 1.34 -0.57 1.32 1.01 -0.20 -1.44 120.40 120.76 1bys s VAL 126 Ca 0.10 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1bys s VAL 126 Cb -0.10 -1.53 0.09 0.00 0.00 0.00 0.00 36.38 34.84 1bys s VAL 126 CO 0.05 0.06 0.67 -0.63 0.00 0.00 0.00 175.10 175.25 1bys s ILE 127 N 1.51 4.85 0.15 2.22 1.01 0.25 -1.25 121.20 129.95 1bys s ILE 127 Ca -0.02 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.46 1bys s ILE 127 Cb -0.17 -4.43 -0.07 0.00 0.01 0.00 0.00 42.46 37.80 1bys s ILE 127 CO -0.07 -1.03 0.88 0.26 0.00 0.00 0.00 174.94 174.98 1bys s TRP 128 N 2.61 3.87 -0.99 3.97 0.52 0.70 -1.75 118.94 127.87 1bys s TRP 128 Ca 0.12 1.74 -0.11 0.00 0.02 0.00 0.00 56.10 57.87 1bys s TRP 128 Cb -0.23 -2.93 -0.02 0.00 -1.15 0.00 0.00 33.47 29.14 1bys s TRP 128 CO 0.07 0.36 0.77 0.09 0.02 0.00 0.00 176.95 178.27 1bys n ASN 129 N 2.16 -6.09 -3.44 2.95 4.13 -0.72 -2.22 115.26 112.03 1bys n ASN 129 Ca -0.01 -0.74 -0.26 0.00 1.68 0.00 0.00 54.58 55.24 1bys n ASN 129 Cb 0.49 -3.94 -0.09 0.00 -1.54 0.00 0.00 39.78 34.69 1bys n ASN 129 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1bys n MET 130 N -3.26 0.84 -0.27 3.52 2.81 0.11 -4.03 117.12 116.84 1bys n MET 130 Ca -0.10 -3.57 0.06 0.00 -1.81 0.00 0.00 57.70 52.28 1bys n MET 130 Cb 0.59 -1.73 0.17 0.00 -0.71 0.00 0.00 33.22 31.54 1bys n MET 130 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1bys h PRO 131 N 5.05 0.08 -0.79 0.03 0.11 -1.83 -0.27 132.00 134.38 1bys h PRO 131 Ca 0.19 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.31 1bys h PRO 131 Cb 0.85 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 1bys h PRO 131 CO 0.50 0.05 0.52 0.87 -0.21 0.00 0.00 178.00 179.73 1bys h LYS 132 N 0.08 1.02 -0.26 1.05 6.56 -1.93 -0.76 116.57 122.34 1bys h LYS 132 Ca 0.43 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.92 1bys h LYS 132 Cb 0.77 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 1bys h LYS 132 CO -0.71 0.67 -0.01 1.25 -2.06 0.00 0.00 179.45 178.59 1bys h LEU 133 N 1.05 0.46 -1.11 2.94 5.85 -1.48 -2.63 115.31 120.38 1bys h LEU 133 Ca 0.30 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1bys h LEU 133 Cb -0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1bys h LEU 133 CO -0.08 0.67 -0.28 0.00 -0.34 0.00 0.00 178.44 178.42 1bys h ALA 134 N 0.80 1.26 -0.17 1.25 0.00 -0.96 -1.56 119.26 119.89 1bys h ALA 134 Ca 0.07 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1bys h ALA 134 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1bys h ALA 134 CO 0.02 0.50 -0.52 1.49 0.00 0.00 0.00 179.25 180.73 1bys h GLU 135 N 0.25 0.47 -0.38 0.00 4.57 -1.12 0.74 114.58 119.11 1bys h GLU 135 Ca 0.04 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1bys h GLU 135 Cb 0.62 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1bys h GLU 135 CO 0.05 0.87 -0.00 1.03 -1.18 0.00 0.00 179.01 179.77 1bys h SER 136 N 0.36 0.66 -0.60 1.04 0.87 -1.16 -2.33 113.55 112.39 1bys h SER 136 Ca 0.01 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 1bys h SER 136 Cb 1.03 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1bys h SER 136 CO 0.09 0.81 0.21 -0.26 -0.53 0.00 0.00 176.83 177.15 1bys h PHE 137 N 0.49 0.98 -0.92 2.24 0.04 -1.05 -2.54 116.94 116.18 1bys h PHE 137 Ca 0.11 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.84 1bys h PHE 137 Cb 0.47 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 1bys h PHE 137 CO 0.04 0.77 0.60 1.25 -0.60 0.00 0.00 178.31 180.38 1bys h LEU 138 N 0.93 0.99 -1.14 1.54 5.85 -0.55 0.18 115.31 123.11 1bys h LEU 138 Ca 0.21 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1bys h LEU 138 Cb 0.24 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1bys h LEU 138 CO -0.01 0.68 0.08 -0.33 -0.34 0.00 0.00 178.44 178.52 1bys h GLU 139 N 1.15 0.69 0.04 1.25 5.08 -1.00 0.31 114.58 122.09 1bys h GLU 139 Ca 0.37 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1bys h GLU 139 Cb 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1bys h GLU 139 CO -0.11 0.65 -0.02 1.25 -1.00 0.00 0.00 179.01 179.78 1bys h HIS 140 N 0.67 -0.05 -0.21 4.33 2.76 -0.87 -1.58 115.15 120.20 1bys h HIS 140 Ca 0.15 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1bys h HIS 140 Cb 0.29 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 1bys h HIS 140 CO 0.01 0.24 0.10 2.35 -1.30 0.00 0.00 177.93 179.33 1bys h TRP 141 N -0.34 0.18 -0.76 5.26 7.01 -0.37 -2.89 115.95 124.05 1bys h TRP 141 Ca -0.01 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1bys h TRP 141 Cb 0.31 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 1bys h TRP 141 CO 0.02 0.10 0.44 0.37 -2.79 0.00 0.00 178.44 176.59 1bys h GLN 142 N 0.21 1.03 -0.57 2.65 5.75 -0.34 0.79 115.11 124.63 1bys h GLN 142 Ca 0.09 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1bys h GLN 142 Cb 0.03 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1bys h GLN 142 CO -0.07 0.73 0.11 0.22 -2.65 0.00 0.00 178.83 177.17 1bys h ASP 143 N 1.05 0.89 -0.15 -0.69 3.58 -1.14 0.59 116.42 120.54 1bys h ASP 143 Ca 0.27 -0.25 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 1bys h ASP 143 Cb -0.02 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.79 1bys h ASP 143 CO -0.05 0.91 -0.46 0.03 -2.88 0.00 0.00 179.24 176.80 1bys h ARG 144 N 0.83 0.57 -0.62 0.28 -0.00 -1.27 -3.20 114.38 110.96 1bys h ARG 144 Ca 0.18 -0.41 0.01 0.00 -0.50 0.00 0.00 59.98 59.25 1bys h ARG 144 Cb 0.39 0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.40 1bys h ARG 144 CO 0.01 1.03 0.41 2.35 0.00 0.00 0.00 179.97 183.77 1bys h TRP 145 N 0.20 0.77 -0.15 3.04 2.91 -0.76 -2.19 115.95 119.77 1bys h TRP 145 Ca -0.02 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.07 1bys h TRP 145 Cb 1.08 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.46 1bys h TRP 145 CO 0.10 0.47 0.16 -0.91 -1.03 0.00 0.00 178.44 177.24 1bys h ASN 146 N 0.82 0.00 -0.39 2.65 2.35 -0.89 -0.80 115.58 119.32 1bys h ASN 146 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1bys h ASN 146 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1bys h ASN 146 CO -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.72 1bys n GLN 147 N -3.85 3.35 -2.93 0.81 10.64 -0.84 -5.00 117.38 119.55 1bys n GLN 147 Ca 0.01 -2.75 -0.21 0.00 -1.83 0.00 0.00 57.00 52.22 1bys n GLN 147 Cb 0.28 -1.80 0.02 0.00 -0.86 0.00 0.00 30.24 27.87 1bys n GLN 147 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1bys s GLY 148 N -1.41 1.68 -0.18 2.61 0.00 -0.31 -4.71 107.32 104.99 1bys s GLY 148 Ca 0.42 -1.23 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 1bys s GLY 148 CO 0.14 -1.03 -0.02 -1.60 0.00 0.00 0.00 173.10 170.58 1bys s ARG 149 N -4.56 3.59 0.37 2.90 3.52 0.19 -4.85 118.95 120.12 1bys s ARG 149 Ca 0.51 -0.54 -0.27 0.00 -0.13 0.00 0.00 55.73 55.31 1bys s ARG 149 Cb -0.10 -3.00 -0.11 0.00 -1.56 0.00 0.00 34.95 30.18 1bys s ARG 149 CO 0.37 0.07 1.19 -0.25 -0.81 0.00 0.00 175.30 175.87 1bys n ASP 150 N 4.05 2.23 -3.94 -2.12 8.00 -1.26 -0.62 116.55 122.89 1bys n ASP 150 Ca -0.17 1.14 -0.31 0.00 0.71 0.00 0.00 54.79 56.16 1bys n ASP 150 Cb 0.52 -1.44 -0.15 0.00 -0.02 0.00 0.00 41.12 40.03 1bys n ASP 150 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1bys s TYR 151 N -1.16 2.74 0.33 1.24 6.14 0.88 -4.83 117.35 122.70 1bys s TYR 151 Ca 0.59 -2.15 0.08 0.00 0.64 0.00 0.00 57.07 56.23 1bys s TYR 151 Cb -0.56 -2.00 -0.04 0.00 0.42 0.00 0.00 41.96 39.77 1bys s TYR 151 CO 0.60 -0.85 0.16 1.03 0.64 0.00 0.00 175.55 177.12 1bys s ARG 152 N 1.27 2.43 0.00 4.97 1.81 -1.26 -4.38 118.95 123.78 1bys s ARG 152 Ca 0.01 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.52 1bys s ARG 152 Cb -0.19 -2.22 0.00 0.00 -0.45 0.00 0.00 34.95 32.09 1bys s ARG 152 CO -0.10 0.12 0.07 0.43 -0.68 0.00 0.00 175.30 175.14