#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5x s GLU 2 N 0.00 2.12 -0.06 7.34 2.56 -1.26 -5.05 118.70 124.34 1s5x s GLU 2 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 54.97 54.09 1s5x s GLU 2 Cb 0.00 -2.11 -0.01 0.00 2.00 0.00 0.00 34.13 34.02 1s5x s GLU 2 CO 0.00 0.56 -0.23 -1.58 -0.56 0.00 0.00 175.26 173.45 1s5x s TRP 3 N -0.71 2.25 0.93 5.30 0.52 -1.26 -5.13 118.94 120.85 1s5x s TRP 3 Ca 0.11 -0.72 -0.15 0.00 0.02 0.00 0.00 56.10 55.36 1s5x s TRP 3 Cb -0.10 -1.49 0.17 0.00 -1.15 0.00 0.00 33.47 30.89 1s5x s TRP 3 CO 0.01 -0.24 1.26 0.95 0.02 0.00 0.00 176.95 178.94 1s5x s THR 4 N 0.00 1.98 0.08 2.01 -4.23 -1.26 -4.92 115.64 109.30 1s5x s THR 4 Ca -0.07 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 1s5x s THR 4 Cb -0.14 -2.96 -0.22 0.00 1.34 0.00 0.00 72.50 70.52 1s5x s THR 4 CO 0.04 0.00 1.13 0.44 -0.54 0.00 0.00 174.62 175.69 1s5x h ASP 5 N -1.52 0.03 -0.67 3.99 3.45 -2.00 -2.78 116.42 116.93 1s5x h ASP 5 Ca -0.45 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 56.92 1s5x h ASP 5 Cb 1.27 -0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 40.00 1s5x h ASP 5 CO 0.47 1.03 0.23 0.50 -1.57 0.00 0.00 179.24 179.90 1s5x h LYS 6 N 0.01 1.02 -0.00 3.56 1.63 -1.99 -0.97 116.57 119.82 1s5x h LYS 6 Ca -0.08 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1s5x h LYS 6 Cb 1.84 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 33.31 1s5x h LYS 6 CO 0.12 0.88 0.00 0.93 -3.45 0.00 0.00 179.45 177.93 1s5x h GLU 7 N 0.96 0.01 -0.96 1.90 5.08 -1.93 -1.81 114.58 117.81 1s5x h GLU 7 Ca 0.22 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.72 1s5x h GLU 7 Cb 0.27 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1s5x h GLU 7 CO -0.01 0.17 0.61 0.00 -1.00 0.00 0.00 179.01 178.78 1s5x h ARG 8 N -0.16 0.81 -0.24 2.33 3.08 -1.23 -2.16 114.38 116.81 1s5x h ARG 8 Ca 0.00 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1s5x h ARG 8 Cb 0.17 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1s5x h ARG 8 CO -0.00 0.54 -0.37 1.03 -1.07 0.00 0.00 179.97 180.10 1s5x h SER 9 N 0.84 0.74 0.25 7.04 0.87 -0.94 -2.74 113.55 119.61 1s5x h SER 9 Ca 0.50 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1s5x h SER 9 Cb 0.66 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1s5x h SER 9 CO -0.26 1.12 -0.12 0.40 -0.53 0.00 0.00 176.83 177.43 1s5x h ILE 10 N 0.39 0.79 -0.70 2.23 2.04 -0.73 0.20 117.51 121.73 1s5x h ILE 10 Ca 0.02 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1s5x h ILE 10 Cb 0.96 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1s5x h ILE 10 CO 0.09 0.05 0.43 0.40 0.00 0.00 0.00 178.15 179.11 1s5x h ILE 11 N -0.44 1.07 -0.59 -0.67 2.04 -1.52 0.26 117.51 117.65 1s5x h ILE 11 Ca -0.03 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1s5x h ILE 11 Cb 0.33 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1s5x h ILE 11 CO 0.06 0.15 0.16 -1.28 0.00 0.00 0.00 178.15 177.24 1s5x h SER 12 N 0.83 0.88 -0.09 1.72 0.87 -1.38 -2.10 113.55 114.28 1s5x h SER 12 Ca 0.29 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1s5x h SER 12 Cb 0.06 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1s5x h SER 12 CO -0.12 0.87 0.02 -0.78 -0.53 0.00 0.00 176.83 176.28 1s5x h ASP 13 N 0.84 0.14 -0.57 6.23 -0.00 -0.23 -2.58 116.42 120.25 1s5x h ASP 13 Ca 0.19 -0.23 0.12 0.00 -0.00 0.00 0.00 57.03 57.10 1s5x h ASP 13 Cb 0.32 -0.04 -0.11 0.00 -0.00 0.00 0.00 39.33 39.50 1s5x h ASP 13 CO -0.00 0.34 -0.11 0.40 -0.00 0.00 0.00 179.24 179.87 1s5x h ILE 14 N -0.07 0.45 -0.27 2.25 2.04 -0.34 -2.33 117.51 119.25 1s5x h ILE 14 Ca 0.03 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 1s5x h ILE 14 Cb 0.25 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1s5x h ILE 14 CO 0.00 0.00 -0.32 -0.26 0.00 0.00 0.00 178.15 177.57 1s5x h PHE 15 N 0.02 0.67 0.00 1.37 0.04 -1.31 -2.46 116.94 115.28 1s5x h PHE 15 Ca 0.28 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 1s5x h PHE 15 Cb 0.44 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1s5x h PHE 15 CO -0.45 0.83 -0.53 0.66 -0.60 0.00 0.00 178.31 178.23 1s5x h SER 16 N 0.49 0.00 0.60 2.17 4.64 -1.07 -2.85 113.55 117.54 1s5x h SER 16 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1s5x h SER 16 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1s5x h SER 16 CO 0.07 0.53 -0.24 1.41 -0.87 0.00 0.00 176.83 177.73 1s5x n HIS 17 N -3.75 0.00 -3.00 4.77 8.25 -0.91 -4.88 115.22 115.70 1s5x n HIS 17 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1s5x n HIS 17 Cb 0.57 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 1s5x n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1s5x s MET 18 N -2.84 4.53 -0.50 -0.41 0.00 -0.94 -5.02 119.30 114.11 1s5x s MET 18 Ca 0.17 1.11 -0.14 0.00 0.00 0.00 0.00 55.69 56.83 1s5x s MET 18 Cb 0.19 -3.28 0.11 0.00 0.00 0.00 0.00 34.83 31.85 1s5x s MET 18 CO 0.58 0.52 0.43 0.34 0.00 0.00 0.00 175.02 176.89 1s5x s ASP 19 N -0.93 6.04 0.28 1.11 -1.08 -1.26 -4.97 116.67 115.85 1s5x s ASP 19 Ca 0.36 -1.71 0.00 0.00 -0.52 0.00 0.00 52.55 50.68 1s5x s ASP 19 Cb -0.22 -2.15 0.53 0.00 -1.46 0.00 0.00 42.92 39.62 1s5x s ASP 19 CO 0.25 -0.76 1.83 1.88 0.52 0.00 0.00 175.17 178.89 1s5x h TYR 20 N 8.74 1.09 0.00 -5.34 0.99 -1.95 -1.61 116.97 118.89 1s5x h TYR 20 Ca -0.27 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1s5x h TYR 20 Cb 1.09 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 38.48 1s5x h TYR 20 CO 0.68 0.43 0.00 -0.44 -0.00 0.00 0.00 178.16 178.84 1s5x h ASP 21 N 0.96 0.00 0.00 3.88 5.19 -1.93 0.57 116.42 125.08 1s5x h ASP 21 Ca 0.48 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.52 1s5x h ASP 21 Cb 0.47 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.92 1s5x h ASP 21 CO -0.26 0.00 -2.28 -0.67 -3.12 0.00 0.00 179.24 172.90 1s5x n ASP 22 N -2.43 1.92 -0.09 6.45 -0.08 -0.78 -4.44 116.55 117.09 1s5x n ASP 22 Ca 0.00 0.12 -0.13 0.00 -1.51 0.00 0.00 54.79 53.27 1s5x n ASP 22 Cb 0.17 -0.55 -0.04 0.00 2.34 0.00 0.00 41.12 43.04 1s5x n ASP 22 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1s5x h ILE 23 N -0.49 1.30 0.05 5.18 1.08 -1.32 -3.18 117.51 120.13 1s5x h ILE 23 Ca -0.55 -1.44 0.01 0.00 -0.39 0.00 0.00 64.86 62.49 1s5x h ILE 23 Cb 1.62 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 36.91 1s5x h ILE 23 CO -0.24 0.46 -0.44 1.23 -0.69 0.00 0.00 178.15 178.47 1s5x h GLY 24 N 0.43 -1.18 1.16 5.37 0.00 -1.10 -1.21 103.07 106.53 1s5x h GLY 24 Ca 0.05 0.64 0.02 0.00 0.00 0.00 0.00 47.33 48.04 1s5x h GLY 24 CO 0.07 -0.29 0.53 -2.55 0.00 0.00 0.00 176.54 174.30 1s5x h PRO 25 N -0.59 1.01 -0.37 4.80 0.11 -1.77 -2.70 132.00 132.49 1s5x h PRO 25 Ca 0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 1s5x h PRO 25 Cb 0.61 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1s5x h PRO 25 CO -0.27 0.67 -0.14 0.87 -0.21 0.00 0.00 178.00 178.92 1s5x h LYS 26 N 1.04 0.74 -0.44 1.05 1.57 -1.47 -2.14 116.57 116.92 1s5x h LYS 26 Ca 0.31 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1s5x h LYS 26 Cb -0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1s5x h LYS 26 CO -0.08 0.92 0.12 0.00 -0.57 0.00 0.00 179.45 179.84 1s5x h ALA 27 N 0.80 0.58 -0.31 3.86 0.00 -1.11 -1.69 119.26 121.40 1s5x h ALA 27 Ca 0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1s5x h ALA 27 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1s5x h ALA 27 CO 0.05 0.26 -0.23 1.25 0.00 0.00 0.00 179.25 180.58 1s5x h LEU 28 N 0.58 0.73 -0.27 0.00 5.85 -1.49 -2.12 115.31 118.58 1s5x h LEU 28 Ca 0.14 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1s5x h LEU 28 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1s5x h LEU 28 CO -0.00 1.02 0.06 0.28 -0.34 0.00 0.00 178.44 179.46 1s5x h SER 29 N 0.45 0.04 -0.84 1.25 0.02 -1.38 -0.30 113.55 112.78 1s5x h SER 29 Ca 0.06 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1s5x h SER 29 Cb 0.78 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 1s5x h SER 29 CO 0.06 0.05 0.49 -0.09 -1.14 0.00 0.00 176.83 176.21 1s5x h ARG 30 N 0.17 1.16 -0.55 3.45 2.43 -1.28 -1.26 114.38 118.50 1s5x h ARG 30 Ca 0.12 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1s5x h ARG 30 Cb 0.12 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1s5x h ARG 30 CO -0.15 0.83 -0.06 0.00 -1.51 0.00 0.00 179.97 179.07 1s5x h LEU 32 N 0.90 0.00 0.14 0.00 3.38 -0.62 -1.11 115.31 118.00 1s5x h LEU 32 Ca 0.15 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.78 1s5x h LEU 32 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1s5x h LEU 32 CO 0.04 0.36 -1.76 0.40 0.09 0.00 0.00 178.44 177.57 1s5x h ILE 33 N 0.00 0.91 0.06 1.22 2.04 -0.94 -3.21 117.51 117.57 1s5x h ILE 33 Ca -0.00 -2.55 -0.24 0.00 1.00 0.00 0.00 64.86 63.07 1s5x h ILE 33 Cb 0.70 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1s5x h ILE 33 CO 0.05 0.84 -1.06 0.58 0.00 0.00 0.00 178.15 178.55 1s5x h VAL 34 N 0.08 1.53 -2.44 1.67 2.07 -0.87 -3.36 116.25 114.94 1s5x h VAL 34 Ca -0.34 -2.95 -0.60 0.00 0.82 0.00 0.00 66.70 63.64 1s5x h VAL 34 Cb 2.06 2.74 -0.41 0.00 -1.52 0.00 0.00 31.29 34.16 1s5x h VAL 34 CO 0.15 0.86 -0.70 -1.22 0.02 0.00 0.00 177.57 176.68 1s5x n TYR 35 N -3.55 2.51 -0.61 1.57 4.01 -0.42 -4.99 117.16 115.67 1s5x n TYR 35 Ca -0.05 -4.04 0.48 0.00 -0.16 0.00 0.00 57.90 54.13 1s5x n TYR 35 Cb 0.93 -0.47 0.79 0.00 -0.31 0.00 0.00 39.34 40.27 1s5x n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1s5x h PRO 36 N 4.64 0.01 0.00 -0.72 0.11 -1.71 -1.91 132.00 132.42 1s5x h PRO 36 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1s5x h PRO 36 Cb 0.74 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1s5x h PRO 36 CO 0.70 0.01 0.00 -2.67 -0.21 0.00 0.00 178.00 175.83 1s5x n TRP 37 N -4.11 0.12 0.67 0.65 2.14 -1.26 -1.89 117.44 113.77 1s5x n TRP 37 Ca 0.41 0.05 0.13 0.00 2.07 0.00 0.00 57.50 60.16 1s5x n TRP 37 Cb 1.82 -0.58 0.38 0.00 -0.81 0.00 0.00 31.31 32.11 1s5x n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1s5x n THR 38 N -1.61 0.45 0.28 -1.67 -2.24 -0.72 -3.63 114.28 105.14 1s5x n THR 38 Ca 0.03 -0.24 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1s5x n THR 38 Cb 0.17 -0.44 0.82 0.00 -2.10 0.00 0.00 70.33 68.77 1s5x n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1s5x h GLN 39 N 0.00 0.00 -0.36 -0.78 4.20 -1.59 -2.97 115.11 113.61 1s5x h GLN 39 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1s5x h GLN 39 Cb 0.70 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1s5x h GLN 39 CO 0.00 0.07 0.15 0.07 -0.67 0.00 0.00 178.83 178.45 1s5x h ARG 40 N 0.00 0.50 0.00 1.46 0.11 -1.77 -0.83 114.38 113.85 1s5x h ARG 40 Ca -0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1s5x h ARG 40 Cb 0.19 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1s5x h ARG 40 CO 0.01 0.41 0.00 0.72 0.10 0.00 0.00 179.97 181.21 1s5x n HIS 41 N -4.40 0.00 -1.76 4.08 8.25 -1.12 -2.21 115.22 118.06 1s5x n HIS 41 Ca 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.54 1s5x n HIS 41 Cb 0.13 -0.15 0.12 0.00 1.12 0.00 0.00 29.99 31.21 1s5x n HIS 41 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1s5x n PHE 42 N -1.15 0.00 -2.13 4.41 3.72 -0.32 -4.93 117.46 117.06 1s5x n PHE 42 Ca 0.08 -0.95 -0.42 0.00 -0.05 0.00 0.00 57.45 56.10 1s5x n PHE 42 Cb 0.07 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1s5x n PHE 42 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1s5x n SER 43 N -0.64 4.53 0.00 4.37 7.64 -0.94 -5.05 113.62 123.53 1s5x n SER 43 Ca 0.13 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1s5x n SER 43 Cb 0.79 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1s5x n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5x n GLY 44 N 3.77 0.00 0.00 0.23 0.00 -1.26 -5.13 105.19 102.80 1s5x n GLY 44 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1s5x n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5x n ALA 53 N 0.00 0.00 -0.01 4.61 0.00 -1.26 -5.03 120.51 118.83 1s5x n ALA 53 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1s5x n ALA 53 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.57 1s5x n ALA 53 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1s5x h ILE 54 N 0.00 1.32 -0.30 0.00 2.04 -1.97 -2.96 117.51 115.63 1s5x h ILE 54 Ca 0.00 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 63.94 1s5x h ILE 54 Cb 0.00 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1s5x h ILE 54 CO 0.00 0.59 0.07 0.40 0.00 0.00 0.00 178.15 179.21 1s5x h ILE 55 N 0.46 1.15 -0.12 -0.67 2.04 -1.95 -2.61 117.51 115.80 1s5x h ILE 55 Ca -0.01 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1s5x h ILE 55 Cb 1.21 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1s5x h ILE 55 CO 0.12 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.06 1s5x n GLY 56 N -1.15 0.80 3.64 5.37 0.00 -1.20 -4.92 105.19 107.73 1s5x n GLY 56 Ca 0.01 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1s5x n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s5x s ASN 57 N -1.83 6.67 0.46 1.61 3.84 -0.98 -4.92 114.94 119.79 1s5x s ASN 57 Ca 0.33 1.38 0.12 0.00 0.21 0.00 0.00 52.86 54.90 1s5x s ASN 57 Cb 0.20 -2.54 1.06 0.00 -0.55 0.00 0.00 41.25 39.43 1s5x s ASN 57 CO 0.31 -1.05 2.10 0.00 -2.79 0.00 0.00 177.10 175.67 1s5x h ALA 58 N 9.33 1.84 -0.35 1.71 0.00 -1.91 -1.75 119.26 128.13 1s5x h ALA 58 Ca -0.28 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1s5x h ALA 58 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1s5x h ALA 58 CO 1.02 0.14 -0.27 -0.91 0.00 0.00 0.00 179.25 179.23 1s5x h ASN 59 N 0.27 0.85 -0.41 0.00 2.35 -1.96 0.85 115.58 117.53 1s5x h ASN 59 Ca 0.07 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 1s5x h ASN 59 Cb -0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1s5x h ASN 59 CO -0.01 1.11 0.19 0.58 -1.65 0.00 0.00 177.43 177.64 1s5x h VAL 60 N 0.59 1.18 0.09 2.81 2.07 -1.81 -2.37 116.25 118.82 1s5x h VAL 60 Ca 0.07 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1s5x h VAL 60 Cb 0.84 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1s5x h VAL 60 CO 0.07 0.20 -0.19 0.00 0.02 0.00 0.00 177.57 177.67 1s5x h ALA 61 N 1.03 -0.32 -0.66 1.67 0.00 -1.07 0.12 119.26 120.03 1s5x h ALA 61 Ca 0.14 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1s5x h ALA 61 Cb 0.14 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1s5x h ALA 61 CO -0.02 -0.72 0.22 0.00 0.00 0.00 0.00 179.25 178.74 1s5x h ALA 62 N 0.46 0.86 -0.01 0.00 0.00 -0.71 0.96 119.26 120.82 1s5x h ALA 62 Ca 0.03 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1s5x h ALA 62 Cb 0.39 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1s5x h ALA 62 CO -0.12 -0.23 -0.53 1.25 0.00 0.00 0.00 179.25 179.63 1s5x h HIS 63 N 0.38 0.04 -0.65 0.00 6.17 -1.06 -1.99 115.15 118.05 1s5x h HIS 63 Ca 0.35 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.40 1s5x h HIS 63 Cb 0.49 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.38 1s5x h HIS 63 CO -0.19 0.56 0.35 0.78 0.71 0.00 0.00 177.93 180.14 1s5x h GLY 64 N 1.56 0.97 1.16 5.26 0.00 0.15 -1.93 103.07 110.25 1s5x h GLY 64 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1s5x h GLY 64 CO 0.07 0.43 0.03 -2.22 0.00 0.00 0.00 176.54 174.85 1s5x h ILE 65 N 0.89 1.26 -0.09 2.60 2.04 -0.71 -2.83 117.51 120.67 1s5x h ILE 65 Ca 0.23 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 1s5x h ILE 65 Cb 0.05 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1s5x h ILE 65 CO -0.04 0.39 -0.14 0.11 0.00 0.00 0.00 178.15 178.48 1s5x h LYS 66 N 0.93 0.13 -0.50 2.37 1.57 -0.95 -2.20 116.57 117.92 1s5x h LYS 66 Ca 0.18 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1s5x h LYS 66 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1s5x h LYS 66 CO 0.02 0.28 0.12 0.28 -0.57 0.00 0.00 179.45 179.59 1s5x h VAL 67 N 0.13 1.24 -0.40 0.50 2.07 -1.10 -0.40 116.25 118.29 1s5x h VAL 67 Ca 0.03 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 1s5x h VAL 67 Cb 0.34 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1s5x h VAL 67 CO 0.02 0.31 -0.06 -0.07 0.02 0.00 0.00 177.57 177.79 1s5x h LEU 68 N 0.69 0.75 -1.69 2.57 4.07 -1.42 -0.29 115.31 119.98 1s5x h LEU 68 Ca 0.16 -0.34 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 1s5x h LEU 68 Cb 0.33 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1s5x h LEU 68 CO 0.00 0.92 -0.08 0.45 -1.08 0.00 0.00 178.44 178.64 1s5x h HIS 69 N 0.57 0.09 -0.21 1.13 3.86 -1.27 -0.48 115.15 118.84 1s5x h HIS 69 Ca 0.11 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.14 1s5x h HIS 69 Cb 0.57 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1s5x h HIS 69 CO 0.05 0.18 -0.53 0.78 0.86 0.00 0.00 177.93 179.27 1s5x h GLY 70 N 0.43 0.80 2.00 2.45 0.00 -0.50 -2.85 103.07 105.40 1s5x h GLY 70 Ca 0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 47.33 46.29 1s5x h GLY 70 CO 0.01 0.89 -0.30 1.41 0.00 0.00 0.00 176.54 178.55 1s5x h LEU 71 N 0.45 0.00 -0.80 3.11 3.38 -0.61 -2.34 115.31 118.49 1s5x h LEU 71 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1s5x h LEU 71 Cb 1.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1s5x h LEU 71 CO 0.11 0.30 0.46 -0.78 0.09 0.00 0.00 178.44 178.62 1s5x h ASP 72 N 0.00 0.99 -0.90 -0.43 3.58 -0.96 -1.34 116.42 117.36 1s5x h ASP 72 Ca -0.00 -0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.42 1s5x h ASP 72 Cb 0.55 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.29 1s5x h ASP 72 CO 0.04 0.79 0.57 -0.09 -2.88 0.00 0.00 179.24 177.67 1s5x h ARG 73 N 1.11 1.02 -0.24 0.28 2.43 -1.19 -1.95 114.38 115.84 1s5x h ARG 73 Ca 0.29 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1s5x h ARG 73 Cb 0.00 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1s5x h ARG 73 CO -0.05 0.67 -0.15 0.78 -1.51 0.00 0.00 179.97 179.71 1s5x h GLY 74 N 1.05 0.45 1.84 2.80 0.00 -1.21 -2.62 103.07 105.38 1s5x h GLY 74 Ca 0.39 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1s5x h GLY 74 CO -0.16 0.29 -0.17 -2.08 0.00 0.00 0.00 176.54 174.41 1s5x h VAL 75 N 0.38 1.19 -0.06 4.60 2.07 -0.65 -2.62 116.25 121.16 1s5x h VAL 75 Ca 0.07 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1s5x h VAL 75 Cb 0.50 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1s5x h VAL 75 CO 0.03 0.26 0.00 0.29 0.02 0.00 0.00 177.57 178.17 1s5x n LYS 76 N -4.25 1.48 -2.72 1.57 5.02 -0.99 -3.95 118.16 114.32 1s5x n LYS 76 Ca -0.01 -0.71 -0.09 0.00 -2.02 0.00 0.00 58.31 55.48 1s5x n LYS 76 Cb 0.29 -1.42 0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1s5x n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1s5x n ASN 77 N -0.11 0.14 0.24 4.39 3.02 -1.01 -4.97 115.26 116.97 1s5x n ASN 77 Ca 0.18 -2.71 0.17 0.00 -0.03 0.00 0.00 54.58 52.19 1s5x n ASN 77 Cb 0.26 0.07 0.87 0.00 -0.61 0.00 0.00 39.78 40.38 1s5x n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1s5x h MET 78 N 2.68 0.00 -0.31 3.52 2.86 -1.61 -1.37 114.93 120.70 1s5x h MET 78 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1s5x h MET 78 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1s5x h MET 78 CO 0.30 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.02 1s5x n ASP 79 N -2.65 3.19 -2.71 1.22 8.00 -1.26 -4.43 116.55 117.91 1s5x n ASP 79 Ca -0.02 -1.93 -0.09 0.00 0.71 0.00 0.00 54.79 53.46 1s5x n ASP 79 Cb 0.07 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.02 1s5x n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s5x n ASN 80 N 1.28 0.38 -0.01 -2.24 5.15 -0.53 -4.99 115.26 114.31 1s5x n ASN 80 Ca 0.17 -2.69 -0.13 0.00 -0.60 0.00 0.00 54.58 51.33 1s5x n ASN 80 Cb 0.55 -0.05 -0.09 0.00 -0.53 0.00 0.00 39.78 39.66 1s5x n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1s5x h ILE 81 N 2.60 1.30 -0.84 -1.44 2.04 -1.74 -2.79 117.51 116.63 1s5x h ILE 81 Ca -0.14 -0.89 0.15 0.00 1.00 0.00 0.00 64.86 64.98 1s5x h ILE 81 Cb 1.20 1.85 -0.09 0.00 -0.74 0.00 0.00 36.82 39.03 1s5x h ILE 81 CO 0.33 0.24 0.42 0.00 0.00 0.00 0.00 178.15 179.15 1s5x h ALA 82 N 0.64 1.26 -0.04 1.87 0.00 -1.91 -1.22 119.26 119.87 1s5x h ALA 82 Ca 0.01 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1s5x h ALA 82 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s5x h ALA 82 CO 0.00 -0.11 -0.65 0.00 0.00 0.00 0.00 179.25 178.49 1s5x h ALA 83 N 1.56 0.83 0.00 0.00 0.00 -1.98 -3.18 119.26 116.49 1s5x h ALA 83 Ca 0.46 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1s5x h ALA 83 Cb 0.66 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s5x h ALA 83 CO -0.37 0.78 -0.13 1.15 0.00 0.00 0.00 179.25 180.67 1s5x h THR 84 N 0.11 0.46 -0.25 0.00 2.02 -0.94 -3.21 112.91 111.11 1s5x h THR 84 Ca -0.01 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1s5x h THR 84 Cb 1.17 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1s5x h THR 84 CO 0.10 0.13 0.00 -1.22 0.37 0.00 0.00 175.52 174.90 1s5x n TYR 85 N -3.46 0.32 -0.20 3.16 4.02 -1.06 -4.70 117.16 115.24 1s5x n TYR 85 Ca -0.01 -0.35 0.01 0.00 -0.01 0.00 0.00 57.90 57.54 1s5x n TYR 85 Cb 0.30 -0.02 0.10 0.00 -0.02 0.00 0.00 39.34 39.70 1s5x n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s5x h ALA 86 N 2.04 0.66 0.20 -0.72 0.00 -1.56 0.60 119.26 120.49 1s5x h ALA 86 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1s5x h ALA 86 Cb 0.65 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1s5x h ALA 86 CO 0.00 -0.35 -0.12 0.38 0.00 0.00 0.00 179.25 179.16 1s5x h ASP 87 N 0.19 -0.29 -0.54 0.00 2.03 -1.85 -2.34 116.42 113.61 1s5x h ASP 87 Ca 0.32 0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1s5x h ASP 87 Cb 0.50 0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 39.05 1s5x h ASP 87 CO -0.46 -0.19 0.33 -0.07 -1.03 0.00 0.00 179.24 177.82 1s5x h LEU 88 N -0.31 0.66 0.39 0.15 3.38 -1.72 -1.65 115.31 116.20 1s5x h LEU 88 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1s5x h LEU 88 Cb 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1s5x h LEU 88 CO 0.03 0.50 -0.19 -1.28 0.09 0.00 0.00 178.44 177.59 1s5x h SER 89 N 0.76 -0.44 -1.00 -0.43 0.87 -0.65 -1.08 113.55 111.58 1s5x h SER 89 Ca 0.20 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1s5x h SER 89 Cb -0.03 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1s5x h SER 89 CO -0.04 -0.23 0.65 0.74 -0.53 0.00 0.00 176.83 177.42 1s5x h THR 90 N -0.63 1.15 0.13 2.23 2.02 -1.26 0.65 112.91 117.20 1s5x h THR 90 Ca -0.05 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1s5x h THR 90 Cb 0.46 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1s5x h THR 90 CO 0.09 0.23 -0.06 0.25 0.37 0.00 0.00 175.52 176.39 1s5x h LEU 91 N 1.24 -0.15 -0.74 2.58 5.85 -1.05 0.11 115.31 123.15 1s5x h LEU 91 Ca 0.41 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.92 1s5x h LEU 91 Cb 0.05 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1s5x h LEU 91 CO -0.14 -0.02 -0.57 0.45 -0.34 0.00 0.00 178.44 177.82 1s5x h HIS 92 N -0.27 0.22 0.00 1.25 3.86 -0.98 -0.57 115.15 118.65 1s5x h HIS 92 Ca -0.02 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1s5x h HIS 92 Cb 0.21 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1s5x h HIS 92 CO -0.04 0.70 0.00 0.45 0.86 0.00 0.00 177.93 179.90 1s5x n SER 93 N -3.88 0.00 -0.07 2.45 2.88 0.20 -1.13 113.62 114.08 1s5x n SER 93 Ca -0.02 0.30 -0.06 0.00 -1.33 0.00 0.00 58.87 57.77 1s5x n SER 93 Cb 0.59 -0.20 0.13 0.00 -0.75 0.00 0.00 64.21 63.98 1s5x n SER 93 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1s5x h GLU 94 N 0.00 0.71 0.00 -1.46 4.57 -0.95 -2.44 114.58 115.01 1s5x h GLU 94 Ca 0.00 -0.26 -0.08 0.00 -1.18 0.00 0.00 59.36 57.84 1s5x h GLU 94 Cb 0.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1s5x h GLU 94 CO 0.00 0.84 -1.98 1.17 -1.18 0.00 0.00 179.01 177.86 1s5x n LYS 95 N -4.14 0.71 -0.02 1.92 4.81 -1.01 -4.61 118.16 115.83 1s5x n LYS 95 Ca 0.00 -0.14 0.05 0.00 -0.87 0.00 0.00 58.31 57.36 1s5x n LYS 95 Cb 0.40 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 33.88 1s5x n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1s5x n LEU 96 N -2.30 0.00 -3.20 3.14 4.32 -0.25 -5.01 117.00 113.70 1s5x n LEU 96 Ca -0.10 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.71 1s5x n LEU 96 Cb 0.66 0.05 0.08 0.00 -1.62 0.00 0.00 43.42 42.58 1s5x n LEU 96 CO 0.40 0.05 0.16 1.41 -1.22 0.00 0.00 177.39 178.19 1s5x n HIS 97 N -2.05 -2.24 -3.13 -1.77 8.25 -0.36 -4.98 115.22 108.94 1s5x n HIS 97 Ca -0.05 0.87 -0.40 0.00 -0.26 0.00 0.00 57.72 57.87 1s5x n HIS 97 Cb 0.45 -4.66 -0.06 0.00 1.12 0.00 0.00 29.99 26.83 1s5x n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s5x s VAL 98 N -3.30 5.03 0.36 1.59 1.01 -0.28 -5.03 120.40 119.78 1s5x s VAL 98 Ca 0.25 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 1s5x s VAL 98 Cb -0.11 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 1s5x s VAL 98 CO 0.65 0.12 1.52 -0.62 0.00 0.00 0.00 175.10 176.76 1s5x s ASP 99 N 1.19 6.33 0.60 3.32 2.15 -1.26 -4.68 116.67 124.32 1s5x s ASP 99 Ca 0.28 3.05 0.33 0.00 0.43 0.00 0.00 52.55 56.63 1s5x s ASP 99 Cb -0.16 -2.66 1.92 0.00 -0.30 0.00 0.00 42.92 41.72 1s5x s ASP 99 CO 0.10 -0.90 2.27 1.55 -0.17 0.00 0.00 175.17 178.02 1s5x h PRO 100 N 3.40 0.00 0.00 4.34 0.13 -1.95 -1.59 132.00 136.33 1s5x h PRO 100 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1s5x h PRO 100 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1s5x h PRO 100 CO 0.68 0.01 -0.34 0.22 -0.23 0.00 0.00 178.00 178.33 1s5x h ASP 101 N 0.00 0.00 -0.09 1.44 3.58 -2.00 -2.86 116.42 116.49 1s5x h ASP 101 Ca -0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1s5x h ASP 101 Cb 0.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1s5x h ASP 101 CO 0.00 0.34 0.10 0.78 -2.88 0.00 0.00 179.24 177.59 1s5x h ASN 102 N 0.00 0.00 0.20 2.28 4.21 -1.65 -1.59 115.58 119.02 1s5x h ASN 102 Ca -0.00 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.33 1s5x h ASN 102 Cb 0.64 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.84 1s5x h ASN 102 CO 0.04 0.00 -0.70 -0.26 -1.29 0.00 0.00 177.43 175.23 1s5x h PHE 103 N 0.00 0.60 -0.22 1.19 0.04 -1.66 -1.61 116.94 115.28 1s5x h PHE 103 Ca 0.04 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 1s5x h PHE 103 Cb 0.25 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1s5x h PHE 103 CO 0.00 1.01 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.47 1s5x h LYS 104 N 0.31 0.41 -0.24 1.51 3.11 -1.44 -1.27 116.57 118.96 1s5x h LYS 104 Ca -0.03 -0.14 -0.00 0.00 -2.81 0.00 0.00 60.65 57.67 1s5x h LYS 104 Cb 1.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.46 1s5x h LYS 104 CO 0.12 0.62 0.14 -0.07 -2.81 0.00 0.00 179.45 177.45 1s5x h LEU 105 N 0.15 0.30 -1.41 5.20 3.38 -1.44 -2.08 115.31 119.41 1s5x h LEU 105 Ca 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1s5x h LEU 105 Cb 0.46 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1s5x h LEU 105 CO 0.02 0.29 0.02 0.25 0.09 0.00 0.00 178.44 179.10 1s5x h LEU 106 N 0.28 0.37 -0.47 1.67 5.85 -1.25 -2.55 115.31 119.22 1s5x h LEU 106 Ca 0.08 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1s5x h LEU 106 Cb 0.05 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1s5x h LEU 106 CO -0.01 0.42 0.23 -1.28 -0.34 0.00 0.00 178.44 177.46 1s5x h SER 107 N 0.39 0.62 0.20 1.25 0.87 -0.79 -2.06 113.55 114.04 1s5x h SER 107 Ca 0.09 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 1s5x h SER 107 Cb 0.24 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1s5x h SER 107 CO 0.00 0.58 -0.24 0.44 -0.53 0.00 0.00 176.83 177.08 1s5x h ASP 108 N 0.62 0.07 0.67 6.23 3.32 -0.97 -2.41 116.42 123.96 1s5x h ASP 108 Ca 0.16 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 1s5x h ASP 108 Cb 0.12 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1s5x h ASP 108 CO -0.02 0.32 -0.76 0.00 -1.72 0.00 0.00 179.24 177.06 1s5x h ILE 110 N 0.04 1.29 -0.13 0.00 2.04 -1.08 -0.88 117.51 118.79 1s5x h ILE 110 Ca -0.02 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.79 1s5x h ILE 110 Cb 1.34 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 1s5x h ILE 110 CO 0.10 0.34 -0.04 0.74 0.00 0.00 0.00 178.15 179.29 1s5x h THR 111 N 0.23 0.85 -0.38 -0.27 2.02 -1.33 0.15 112.91 114.18 1s5x h THR 111 Ca 0.06 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1s5x h THR 111 Cb 0.54 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1s5x h THR 111 CO 0.03 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.28 1s5x h ILE 112 N -0.01 1.23 -0.15 3.11 2.04 -1.22 0.85 117.51 123.35 1s5x h ILE 112 Ca 0.06 -0.95 -0.18 0.00 1.00 0.00 0.00 64.86 64.80 1s5x h ILE 112 Cb 0.11 0.98 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1s5x h ILE 112 CO -0.14 0.32 -0.60 0.58 0.00 0.00 0.00 178.15 178.32 1s5x h VAL 113 N 0.59 1.32 -0.62 1.67 2.07 -0.71 -2.13 116.25 118.43 1s5x h VAL 113 Ca 0.12 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.75 1s5x h VAL 113 Cb 0.43 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1s5x h VAL 113 CO 0.02 0.57 0.22 0.25 0.02 0.00 0.00 177.57 178.65 1s5x h LEU 114 N 0.36 0.85 -0.64 2.57 5.85 -0.52 -1.89 115.31 121.89 1s5x h LEU 114 Ca -0.03 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1s5x h LEU 114 Cb 1.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1s5x h LEU 114 CO 0.13 0.78 0.36 0.00 -0.34 0.00 0.00 178.44 179.37 1s5x h ALA 115 N 1.34 0.82 0.00 1.25 0.00 -0.71 -0.71 119.26 121.25 1s5x h ALA 115 Ca 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1s5x h ALA 115 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1s5x h ALA 115 CO -0.01 0.33 -0.31 0.00 0.00 0.00 0.00 179.25 179.26 1s5x h ALA 116 N 1.18 1.32 0.18 0.00 0.00 -0.87 -1.97 119.26 119.10 1s5x h ALA 116 Ca 0.23 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1s5x h ALA 116 Cb 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1s5x h ALA 116 CO -0.04 0.39 -1.19 -0.22 0.00 0.00 0.00 179.25 178.19 1s5x h LYS 117 N 0.00 0.37 0.00 0.00 3.64 -0.65 -3.35 116.57 116.58 1s5x h LYS 117 Ca -0.00 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 1s5x h LYS 117 Cb 0.61 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1s5x h LYS 117 CO 0.04 1.31 -0.03 -1.33 -2.27 0.00 0.00 179.45 177.17 1s5x n MET 118 N -3.93 0.08 0.00 1.90 2.81 -0.34 -4.99 117.12 112.65 1s5x n MET 118 Ca -0.17 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1s5x n MET 118 Cb 0.94 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1s5x n MET 118 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s5x n GLY 119 N 1.44 2.82 0.12 3.03 0.00 -0.74 -1.19 105.19 110.68 1s5x n GLY 119 Ca 0.06 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1s5x n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s5x n HIS 120 N 14.00 0.57 0.93 1.61 8.25 -1.26 -1.52 115.22 137.79 1s5x n HIS 120 Ca 0.00 0.28 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 1s5x n HIS 120 Cb 0.00 -0.95 0.56 0.00 1.12 0.00 0.00 29.99 30.72 1s5x n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5x n ALA 121 N -1.71 2.18 -2.49 -1.41 0.00 -0.33 -4.09 120.51 112.66 1s5x n ALA 121 Ca -0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1s5x n ALA 121 Cb 0.06 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.11 1s5x n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s5x n PHE 122 N -1.46 2.66 -0.83 0.00 7.35 -0.58 -4.92 117.46 119.68 1s5x n PHE 122 Ca 0.07 -2.71 -0.30 0.00 -0.76 0.00 0.00 57.45 53.76 1s5x n PHE 122 Cb 0.28 -1.68 0.19 0.00 0.35 0.00 0.00 39.48 38.61 1s5x n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s5x s THR 123 N -1.05 2.26 0.24 -2.13 -4.23 -1.26 -4.66 115.64 104.82 1s5x s THR 123 Ca 0.39 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1s5x s THR 123 Cb 0.10 -2.29 0.21 0.00 1.34 0.00 0.00 72.50 71.86 1s5x s THR 123 CO 0.01 -0.11 1.80 0.00 -0.54 0.00 0.00 174.62 175.78 1s5x h ALA 124 N -2.04 1.15 -0.59 3.99 0.00 -1.95 0.19 119.26 120.01 1s5x h ALA 124 Ca -0.52 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1s5x h ALA 124 Cb 1.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1s5x h ALA 124 CO 0.50 0.05 0.29 1.49 0.00 0.00 0.00 179.25 181.58 1s5x h GLU 125 N 0.74 0.84 -0.65 0.00 4.81 -1.99 0.47 114.58 118.80 1s5x h GLU 125 Ca 0.40 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1s5x h GLU 125 Cb 0.39 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1s5x h GLU 125 CO -0.26 0.68 0.11 1.15 -0.73 0.00 0.00 179.01 179.96 1s5x h THR 126 N 0.80 1.26 -0.82 0.32 2.02 -1.57 -2.43 112.91 112.49 1s5x h THR 126 Ca 0.20 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1s5x h THR 126 Cb 0.11 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1s5x h THR 126 CO -0.03 0.38 0.37 -0.61 0.37 0.00 0.00 175.52 176.00 1s5x h GLN 127 N 1.00 1.19 -0.17 6.66 4.15 -0.10 -2.14 115.11 125.70 1s5x h GLN 127 Ca 0.20 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1s5x h GLN 127 Cb 0.41 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1s5x h GLN 127 CO 0.01 0.93 0.10 0.78 -1.93 0.00 0.00 178.83 178.72 1s5x h GLY 128 N 1.17 0.25 1.19 2.39 0.00 -0.49 -0.16 103.07 107.42 1s5x h GLY 128 Ca 0.28 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1s5x h GLY 128 CO -0.03 0.11 -0.24 0.00 0.00 0.00 0.00 176.54 176.38 1s5x h ALA 129 N 1.00 0.73 -0.42 3.60 0.00 -1.38 -2.13 119.26 120.66 1s5x h ALA 129 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1s5x h ALA 129 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s5x h ALA 129 CO -0.01 0.66 0.10 0.35 0.00 0.00 0.00 179.25 180.36 1s5x h PHE 130 N 0.80 0.71 -0.29 0.00 3.04 -1.26 -1.49 116.94 118.45 1s5x h PHE 130 Ca 0.10 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 1s5x h PHE 130 Cb 0.80 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1s5x h PHE 130 CO 0.05 0.66 -0.18 1.96 -2.02 0.00 0.00 178.31 178.78 1s5x h GLN 131 N 0.54 0.52 -0.49 1.11 4.20 -0.94 -1.09 115.11 118.95 1s5x h GLN 131 Ca 0.13 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1s5x h GLN 131 Cb 0.31 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1s5x h GLN 131 CO 0.00 0.68 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.55 1s5x h LYS 132 N 0.47 0.92 -0.26 1.46 3.64 -1.24 -0.35 116.57 121.21 1s5x h LYS 132 Ca 0.08 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1s5x h LYS 132 Cb 0.59 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1s5x h LYS 132 CO 0.04 0.98 0.13 0.35 -2.27 0.00 0.00 179.45 178.68 1s5x h PHE 133 N 0.77 0.38 -0.43 1.91 3.57 -0.85 -1.72 116.94 120.58 1s5x h PHE 133 Ca 0.13 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1s5x h PHE 133 Cb 0.62 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1s5x h PHE 133 CO 0.05 0.36 0.05 -0.07 -2.23 0.00 0.00 178.31 176.46 1s5x h LEU 134 N 0.29 0.62 -0.32 0.59 3.38 -1.08 -2.23 115.31 116.56 1s5x h LEU 134 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s5x h LEU 134 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1s5x h LEU 134 CO -0.01 0.66 0.21 0.00 0.09 0.00 0.00 178.44 179.40 1s5x h ALA 135 N 1.42 0.41 -0.61 1.53 0.00 -0.72 0.17 119.26 121.46 1s5x h ALA 135 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1s5x h ALA 135 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1s5x h ALA 135 CO 0.01 -0.12 0.20 0.28 0.00 0.00 0.00 179.25 179.62 1s5x h VAL 136 N 0.44 1.24 -0.67 0.00 2.07 -1.06 -1.51 116.25 116.75 1s5x h VAL 136 Ca 0.12 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1s5x h VAL 136 Cb -0.05 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1s5x h VAL 136 CO -0.03 0.31 0.11 0.58 0.02 0.00 0.00 177.57 178.56 1s5x h VAL 137 N 0.86 1.26 -0.51 2.57 2.07 -1.12 -2.58 116.25 118.81 1s5x h VAL 137 Ca 0.20 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1s5x h VAL 137 Cb 0.27 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1s5x h VAL 137 CO -0.01 0.39 0.11 0.58 0.02 0.00 0.00 177.57 178.66 1s5x h VAL 138 N 1.04 1.22 -0.69 2.57 2.07 -0.31 -1.13 116.25 121.01 1s5x h VAL 138 Ca 0.20 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1s5x h VAL 138 Cb 0.44 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1s5x h VAL 138 CO 0.01 0.30 0.16 0.28 0.02 0.00 0.00 177.57 178.34 1s5x h SER 139 N 0.76 1.06 0.11 0.57 0.02 -1.03 -0.99 113.55 114.04 1s5x h SER 139 Ca 0.17 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 1s5x h SER 139 Cb 0.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1s5x h SER 139 CO 0.00 1.02 -0.53 0.00 -1.14 0.00 0.00 176.83 176.18 1s5x h ALA 140 N 1.11 0.78 0.00 3.77 0.00 -1.07 -3.09 119.26 120.76 1s5x h ALA 140 Ca 0.22 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1s5x h ALA 140 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1s5x h ALA 140 CO 0.00 0.68 -0.69 -0.07 0.00 0.00 0.00 179.25 179.17 1s5x h LEU 141 N 0.36 0.00 -3.98 0.00 3.38 -1.02 -3.21 115.31 110.84 1s5x h LEU 141 Ca 0.01 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.32 1s5x h LEU 141 Cb 1.05 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.50 1s5x h LEU 141 CO 0.09 0.69 0.73 0.61 0.09 0.00 0.00 178.44 180.65 1s5x n GLY 142 N 1.03 5.84 0.98 0.83 0.00 -0.39 -4.55 105.19 108.93 1s5x n GLY 142 Ca 0.01 -2.26 -0.00 0.00 0.00 0.00 0.00 46.02 43.76 1s5x n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s5x n LYS 143 N -0.92 0.00 0.00 1.61 4.81 -1.17 -4.95 118.16 117.54 1s5x n LYS 143 Ca 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1s5x n LYS 143 Cb 0.74 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.70 1s5x n LYS 143 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61