#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5y s GLU 2 N 0.00 4.22 -0.02 7.34 2.56 -1.26 -5.02 118.70 126.53 1s5y s GLU 2 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 54.97 55.73 1s5y s GLU 2 Cb 0.00 -3.27 -0.01 0.00 2.00 0.00 0.00 34.13 32.85 1s5y s GLU 2 CO 0.00 0.56 -0.15 -1.58 -0.56 0.00 0.00 175.26 173.52 1s5y s TRP 3 N -0.81 1.41 0.24 5.30 0.52 -1.26 -5.14 118.94 119.19 1s5y s TRP 3 Ca 0.29 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.13 1s5y s TRP 3 Cb -0.19 -0.92 -0.03 0.00 -1.15 0.00 0.00 33.47 31.17 1s5y s TRP 3 CO 0.18 -0.06 0.40 0.95 0.02 0.00 0.00 176.95 178.44 1s5y s THR 4 N -0.22 5.22 0.23 2.01 -4.23 -1.26 -4.98 115.64 112.41 1s5y s THR 4 Ca 0.03 -0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1s5y s THR 4 Cb -0.07 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.16 1s5y s THR 4 CO 0.00 -0.31 1.85 0.44 -0.54 0.00 0.00 174.62 176.06 1s5y h ASP 5 N 1.42 1.11 -0.63 3.99 3.45 -2.01 -1.61 116.42 122.15 1s5y h ASP 5 Ca -0.50 -0.10 0.09 0.00 0.43 0.00 0.00 57.03 56.95 1s5y h ASP 5 Cb 1.21 -0.28 -0.07 0.00 -0.56 0.00 0.00 39.33 39.63 1s5y h ASP 5 CO 0.64 0.89 0.27 0.50 -1.57 0.00 0.00 179.24 179.98 1s5y h LYS 6 N 1.24 0.47 0.17 3.56 1.63 -1.99 0.61 116.57 122.26 1s5y h LYS 6 Ca 0.31 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 1s5y h LYS 6 Cb 0.03 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1s5y h LYS 6 CO -0.05 0.31 -0.08 0.93 -3.45 0.00 0.00 179.45 177.11 1s5y h GLU 7 N 0.49 -0.22 -0.99 1.90 5.08 -1.80 -1.83 114.58 117.21 1s5y h GLU 7 Ca 0.31 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.91 1s5y h GLU 7 Cb 0.34 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 1s5y h GLU 7 CO -0.27 0.03 0.63 0.00 -1.00 0.00 0.00 179.01 178.39 1s5y h ARG 8 N -0.46 0.51 -0.27 2.33 3.08 -0.84 -0.72 114.38 118.01 1s5y h ARG 8 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1s5y h ARG 8 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1s5y h ARG 8 CO 0.04 0.33 -0.04 1.03 -1.07 0.00 0.00 179.97 180.26 1s5y h SER 9 N 0.52 0.49 -0.06 7.04 0.87 -0.51 -2.49 113.55 119.42 1s5y h SER 9 Ca 0.55 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1s5y h SER 9 Cb 1.20 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1s5y h SER 9 CO -0.29 0.72 -0.04 0.40 -0.53 0.00 0.00 176.83 177.09 1s5y h ILE 10 N 0.26 1.35 -0.88 2.23 2.04 -0.34 -0.80 117.51 121.37 1s5y h ILE 10 Ca 0.07 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.87 1s5y h ILE 10 Cb 0.49 1.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 1s5y h ILE 10 CO 0.02 0.31 0.54 0.40 0.00 0.00 0.00 178.15 179.42 1s5y h ILE 11 N -0.28 1.02 -0.19 -0.67 2.04 -1.30 0.51 117.51 118.63 1s5y h ILE 11 Ca 0.01 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1s5y h ILE 11 Cb 0.52 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1s5y h ILE 11 CO 0.01 0.18 -0.28 -1.28 0.00 0.00 0.00 178.15 176.78 1s5y h SER 12 N 0.97 0.57 -0.68 1.72 0.87 -1.44 -2.85 113.55 112.71 1s5y h SER 12 Ca 0.39 -0.52 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1s5y h SER 12 Cb 0.22 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1s5y h SER 12 CO -0.19 0.98 0.20 -0.78 -0.53 0.00 0.00 176.83 176.51 1s5y h ASP 13 N 0.19 1.00 -0.21 6.23 -0.00 -0.54 -2.83 116.42 120.25 1s5y h ASP 13 Ca 0.02 -0.21 0.03 0.00 -0.00 0.00 0.00 57.03 56.86 1s5y h ASP 13 Cb 0.85 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 39.89 1s5y h ASP 13 CO 0.06 0.95 0.04 0.40 -0.00 0.00 0.00 179.24 180.69 1s5y h ILE 14 N 1.00 0.90 0.00 2.25 2.04 0.01 -2.73 117.51 120.98 1s5y h ILE 14 Ca 0.22 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1s5y h ILE 14 Cb 0.31 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1s5y h ILE 14 CO -0.01 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.66 1s5y n PHE 15 N -5.09 0.68 0.13 1.37 3.72 -1.08 -3.01 117.46 114.18 1s5y n PHE 15 Ca -0.02 0.26 0.11 0.00 -0.05 0.00 0.00 57.45 57.75 1s5y n PHE 15 Cb 0.09 -0.91 -0.03 0.00 -0.94 0.00 0.00 39.48 37.69 1s5y n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1s5y n SER 16 N -2.11 0.63 -0.53 4.37 3.41 -1.04 -3.87 113.62 114.49 1s5y n SER 16 Ca 0.03 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1s5y n SER 16 Cb 0.24 0.82 0.15 0.00 -0.26 0.00 0.00 64.21 65.17 1s5y n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1s5y n HIS 17 N -2.51 0.00 -3.01 7.33 8.25 -1.16 -4.92 115.22 119.19 1s5y n HIS 17 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1s5y n HIS 17 Cb 0.54 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 1s5y n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1s5y s MET 18 N -2.35 4.42 -0.48 -0.41 0.00 -1.16 -5.03 119.30 114.30 1s5y s MET 18 Ca 0.23 0.92 -0.21 0.00 0.00 0.00 0.00 55.69 56.63 1s5y s MET 18 Cb 0.19 -3.46 0.04 0.00 0.00 0.00 0.00 34.83 31.59 1s5y s MET 18 CO 0.49 0.01 0.71 0.34 0.00 0.00 0.00 175.02 176.56 1s5y s ASP 19 N 0.86 6.31 0.19 1.11 -1.08 -1.26 -4.95 116.67 117.85 1s5y s ASP 19 Ca 0.38 -0.48 -0.11 0.00 -0.52 0.00 0.00 52.55 51.82 1s5y s ASP 19 Cb -0.18 -2.34 0.11 0.00 -1.46 0.00 0.00 42.92 39.06 1s5y s ASP 19 CO 0.18 -0.91 1.80 1.88 0.52 0.00 0.00 175.17 178.65 1s5y h TYR 20 N 9.00 0.92 0.00 -5.34 0.99 -1.95 -1.75 116.97 118.84 1s5y h TYR 20 Ca -0.26 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1s5y h TYR 20 Cb 1.09 -0.29 0.00 0.00 1.00 0.00 0.00 36.73 38.53 1s5y h TYR 20 CO 0.77 0.66 0.00 -0.44 -0.00 0.00 0.00 178.16 179.15 1s5y h ASP 21 N 0.92 0.00 0.00 3.88 3.32 -1.96 -0.58 116.42 122.00 1s5y h ASP 21 Ca 0.24 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1s5y h ASP 21 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1s5y h ASP 21 CO -0.04 0.00 -0.84 -0.67 -1.72 0.00 0.00 179.24 175.97 1s5y n ASP 22 N -2.37 1.87 -0.09 6.45 4.64 -0.84 -4.53 116.55 121.67 1s5y n ASP 22 Ca -0.01 0.50 -0.02 0.00 -1.38 0.00 0.00 54.79 53.89 1s5y n ASP 22 Cb 0.10 -0.83 0.24 0.00 -1.04 0.00 0.00 41.12 39.59 1s5y n ASP 22 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1s5y h ILE 23 N -1.00 1.21 0.49 5.18 1.08 -1.31 -3.27 117.51 119.89 1s5y h ILE 23 Ca -0.06 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1s5y h ILE 23 Cb 0.80 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1s5y h ILE 23 CO -0.04 0.28 -0.51 1.23 -0.69 0.00 0.00 178.15 178.42 1s5y h GLY 24 N 0.91 -1.26 0.98 5.37 0.00 -1.34 -1.64 103.07 106.10 1s5y h GLY 24 Ca 0.16 0.59 -0.04 0.00 0.00 0.00 0.00 47.33 48.05 1s5y h GLY 24 CO -0.00 -0.37 0.19 -2.55 0.00 0.00 0.00 176.54 173.81 1s5y h PRO 25 N -1.00 0.83 -0.90 4.80 0.11 -1.74 -2.71 132.00 131.38 1s5y h PRO 25 Ca -0.06 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1s5y h PRO 25 Cb 0.87 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 1s5y h PRO 25 CO -0.07 0.74 0.53 0.87 -0.21 0.00 0.00 178.00 179.86 1s5y h LYS 26 N 0.74 1.24 -0.58 1.05 1.57 -1.60 0.41 116.57 119.41 1s5y h LYS 26 Ca 0.18 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1s5y h LYS 26 Cb 0.25 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1s5y h LYS 26 CO -0.01 0.88 0.02 0.00 -0.57 0.00 0.00 179.45 179.77 1s5y h ALA 27 N 1.29 0.78 -0.09 3.86 0.00 -1.21 -1.70 119.26 122.18 1s5y h ALA 27 Ca 0.32 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1s5y h ALA 27 Cb -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1s5y h ALA 27 CO -0.06 0.59 -0.68 1.25 0.00 0.00 0.00 179.25 180.36 1s5y h LEU 28 N 0.90 0.76 -0.32 0.00 5.85 -1.17 -2.62 115.31 118.69 1s5y h LEU 28 Ca 0.17 -0.67 0.07 0.00 0.84 0.00 0.00 57.88 58.29 1s5y h LEU 28 Cb 0.52 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1s5y h LEU 28 CO 0.03 1.31 -0.17 0.28 -0.34 0.00 0.00 178.44 179.54 1s5y h SER 29 N 0.26 -0.57 -0.10 1.25 0.02 -0.09 -0.84 113.55 113.49 1s5y h SER 29 Ca -0.06 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1s5y h SER 29 Cb 1.33 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 64.17 1s5y h SER 29 CO 0.14 -0.20 0.06 -0.09 -1.14 0.00 0.00 176.83 175.60 1s5y h ARG 30 N -0.12 0.13 -0.35 3.45 2.43 -1.34 -2.16 114.38 116.41 1s5y h ARG 30 Ca 0.17 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1s5y h ARG 30 Cb 0.38 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1s5y h ARG 30 CO -0.40 0.08 0.11 0.00 -1.51 0.00 0.00 179.97 178.25 1s5y h LEU 32 N 0.24 0.10 0.09 0.00 3.38 -0.94 -0.24 115.31 117.94 1s5y h LEU 32 Ca 0.16 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 1s5y h LEU 32 Cb 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1s5y h LEU 32 CO -0.18 0.07 -1.16 0.40 0.09 0.00 0.00 178.44 177.66 1s5y h ILE 33 N 0.11 1.16 -0.03 1.22 2.04 -0.63 -3.16 117.51 118.22 1s5y h ILE 33 Ca 0.06 -2.38 -0.13 0.00 1.00 0.00 0.00 64.86 63.41 1s5y h ILE 33 Cb 0.10 2.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 1s5y h ILE 33 CO -0.01 0.64 -0.59 0.58 0.00 0.00 0.00 178.15 178.76 1s5y h VAL 34 N -0.50 1.41 -2.11 1.67 2.07 -0.37 -3.33 116.25 115.09 1s5y h VAL 34 Ca -0.26 -2.01 -0.58 0.00 0.82 0.00 0.00 66.70 64.67 1s5y h VAL 34 Cb 1.59 2.06 -0.41 0.00 -1.52 0.00 0.00 31.29 33.01 1s5y h VAL 34 CO 0.02 0.58 -0.82 -1.22 0.02 0.00 0.00 177.57 176.15 1s5y n TYR 35 N -3.85 1.88 -0.33 1.57 4.01 -0.11 -5.00 117.16 115.32 1s5y n TYR 35 Ca -0.02 -3.89 0.29 0.00 -0.16 0.00 0.00 57.90 54.12 1s5y n TYR 35 Cb 0.60 -0.47 0.51 0.00 -0.31 0.00 0.00 39.34 39.67 1s5y n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1s5y n PRO 36 N 1.08 -0.04 0.05 -0.72 -0.02 -1.19 -2.14 135.00 132.02 1s5y n PRO 36 Ca 0.26 1.02 0.07 0.00 -2.02 0.00 0.00 63.50 62.83 1s5y n PRO 36 Cb 0.46 -1.94 0.31 0.00 -0.02 0.00 0.00 33.50 32.31 1s5y n PRO 36 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1s5y n TRP 37 N -4.45 0.27 1.19 6.00 2.14 -1.26 -2.01 117.44 119.32 1s5y n TRP 37 Ca 0.31 0.12 0.14 0.00 2.07 0.00 0.00 57.50 60.14 1s5y n TRP 37 Cb 1.15 -0.69 0.55 0.00 -0.81 0.00 0.00 31.31 31.51 1s5y n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1s5y n THR 38 N -1.76 0.00 0.33 -1.67 -2.24 -0.91 -3.59 114.28 104.43 1s5y n THR 38 Ca 0.02 -0.02 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1s5y n THR 38 Cb 0.12 -0.20 0.61 0.00 -2.10 0.00 0.00 70.33 68.76 1s5y n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1s5y h GLN 39 N 0.20 0.00 -0.06 -0.78 4.20 -1.63 -3.13 115.11 113.91 1s5y h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s5y h GLN 39 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1s5y h GLN 39 CO 0.00 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 181.05 1s5y n ARG 40 N -2.51 0.74 0.00 1.46 1.85 -1.24 -1.98 116.66 114.99 1s5y n ARG 40 Ca 0.01 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 1s5y n ARG 40 Cb 0.21 -1.03 0.02 0.00 -1.05 0.00 0.00 32.46 30.61 1s5y n ARG 40 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1s5y n HIS 41 N -0.45 0.00 -2.12 2.89 8.25 -1.18 -4.42 115.22 118.18 1s5y n HIS 41 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1s5y n HIS 41 Cb 0.01 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.23 1s5y n HIS 41 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1s5y n PHE 42 N 0.19 0.20 0.18 4.41 3.72 -0.84 -4.74 117.46 120.58 1s5y n PHE 42 Ca 0.06 -1.09 0.08 0.00 -0.05 0.00 0.00 57.45 56.44 1s5y n PHE 42 Cb 0.26 -0.21 0.10 0.00 -0.94 0.00 0.00 39.48 38.70 1s5y n PHE 42 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1s5y h SER 43 N 1.15 0.00 -0.17 4.37 0.02 -1.76 -3.50 113.55 113.66 1s5y h SER 43 Ca -0.10 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1s5y h SER 43 Cb 1.47 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.96 1s5y h SER 43 CO 0.09 0.23 0.11 0.61 -1.14 0.00 0.00 176.83 176.74 1s5y n GLY 44 N 1.16 2.40 0.00 -3.77 0.00 -1.26 -5.16 105.19 98.55 1s5y n GLY 44 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1s5y n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5y n ALA 53 N 0.22 0.00 -0.01 4.61 0.00 -1.26 -5.09 120.51 118.99 1s5y n ALA 53 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 1s5y n ALA 53 Cb 0.69 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 1s5y n ALA 53 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1s5y h ILE 54 N 0.00 1.20 0.00 0.00 2.04 -1.98 0.51 117.51 119.28 1s5y h ILE 54 Ca 0.00 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1s5y h ILE 54 Cb 0.00 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1s5y h ILE 54 CO 0.00 0.17 -0.02 0.40 0.00 0.00 0.00 178.15 178.69 1s5y h ILE 55 N -0.15 0.22 -0.00 -0.67 2.04 -1.96 -2.31 117.51 114.68 1s5y h ILE 55 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1s5y h ILE 55 Cb 0.26 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1s5y h ILE 55 CO 0.00 0.02 -0.68 0.61 0.00 0.00 0.00 178.15 178.11 1s5y n GLY 56 N -0.89 -0.40 3.67 5.37 0.00 -0.97 -4.97 105.19 106.99 1s5y n GLY 56 Ca -0.02 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1s5y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s5y s ASN 57 N -2.39 6.69 0.40 1.61 3.84 0.17 -4.92 114.94 120.35 1s5y s ASN 57 Ca 0.07 2.26 0.16 0.00 0.21 0.00 0.00 52.86 55.56 1s5y s ASN 57 Cb 0.12 -2.55 0.85 0.00 -0.55 0.00 0.00 41.25 39.12 1s5y s ASN 57 CO 0.61 -0.87 1.87 0.00 -2.79 0.00 0.00 177.10 175.91 1s5y h ALA 58 N 8.90 1.34 -0.35 1.71 0.00 -1.89 -2.03 119.26 126.94 1s5y h ALA 58 Ca -0.39 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 1s5y h ALA 58 Cb 1.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1s5y h ALA 58 CO 0.94 0.40 -0.20 -0.91 0.00 0.00 0.00 179.25 179.48 1s5y h ASN 59 N 0.00 0.68 -0.11 0.00 2.35 -1.96 0.17 115.58 116.71 1s5y h ASN 59 Ca -0.00 -0.23 -0.21 0.00 -0.55 0.00 0.00 56.30 55.31 1s5y h ASN 59 Cb 0.61 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.81 1s5y h ASN 59 CO 0.04 0.88 -0.74 0.58 -1.65 0.00 0.00 177.43 176.54 1s5y h VAL 60 N 0.60 1.31 -0.38 2.81 2.07 -1.84 -2.59 116.25 118.22 1s5y h VAL 60 Ca 0.09 -1.98 0.02 0.00 0.82 0.00 0.00 66.70 65.65 1s5y h VAL 60 Cb 0.67 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1s5y h VAL 60 CO 0.05 0.62 0.20 0.00 0.02 0.00 0.00 177.57 178.46 1s5y h ALA 61 N 0.49 0.48 -0.61 1.67 0.00 -1.16 -1.49 119.26 118.64 1s5y h ALA 61 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s5y h ALA 61 Cb 1.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1s5y h ALA 61 CO 0.15 -0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.61 1s5y h ALA 62 N 1.19 0.78 -0.00 0.00 0.00 -0.93 -2.45 119.26 117.85 1s5y h ALA 62 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1s5y h ALA 62 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1s5y h ALA 62 CO -0.10 0.27 -0.48 1.25 0.00 0.00 0.00 179.25 180.19 1s5y h HIS 63 N 0.83 0.00 -0.75 0.00 6.17 -1.22 -1.82 115.15 118.36 1s5y h HIS 63 Ca 0.22 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.28 1s5y h HIS 63 Cb -0.01 -0.00 -0.04 0.00 2.52 0.00 0.00 27.41 29.88 1s5y h HIS 63 CO -0.02 0.48 0.40 0.78 0.71 0.00 0.00 177.93 180.28 1s5y h GLY 64 N 1.44 1.13 0.85 5.26 0.00 -0.83 0.01 103.07 110.93 1s5y h GLY 64 Ca -0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1s5y h GLY 64 CO 0.06 0.50 -0.03 -2.22 0.00 0.00 0.00 176.54 174.85 1s5y h ILE 65 N 1.04 1.27 -0.79 2.60 2.04 -1.14 -2.59 117.51 119.94 1s5y h ILE 65 Ca 0.26 -1.00 0.09 0.00 1.00 0.00 0.00 64.86 65.21 1s5y h ILE 65 Cb 0.05 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1s5y h ILE 65 CO -0.04 0.31 0.52 0.11 0.00 0.00 0.00 178.15 179.05 1s5y h LYS 66 N 0.23 0.73 -0.17 2.37 1.57 -0.95 -1.42 116.57 118.94 1s5y h LYS 66 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s5y h LYS 66 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1s5y h LYS 66 CO 0.02 0.49 0.11 0.28 -0.57 0.00 0.00 179.45 179.77 1s5y h VAL 67 N 0.76 1.04 -0.22 0.50 2.07 -0.62 -1.28 116.25 118.49 1s5y h VAL 67 Ca 0.36 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.75 1s5y h VAL 67 Cb 0.40 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1s5y h VAL 67 CO -0.14 0.04 -0.13 -0.07 0.02 0.00 0.00 177.57 177.29 1s5y h LEU 68 N 0.22 0.34 -1.13 2.57 4.07 -1.01 -1.85 115.31 118.52 1s5y h LEU 68 Ca 0.06 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1s5y h LEU 68 Cb -0.02 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1s5y h LEU 68 CO -0.02 0.50 -0.38 0.45 -1.08 0.00 0.00 178.44 177.92 1s5y h HIS 69 N 0.34 0.00 0.00 1.13 3.86 -0.87 -1.69 115.15 117.92 1s5y h HIS 69 Ca 0.07 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.12 1s5y h HIS 69 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1s5y h HIS 69 CO 0.01 0.38 -0.74 0.78 0.86 0.00 0.00 177.93 179.22 1s5y h GLY 70 N 1.59 0.00 1.63 2.45 0.00 -0.47 -2.98 103.07 105.30 1s5y h GLY 70 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1s5y h GLY 70 CO 0.05 0.00 -0.97 1.41 0.00 0.00 0.00 176.54 177.02 1s5y h LEU 71 N 0.00 0.43 -1.80 3.11 3.38 -1.16 -2.92 115.31 116.35 1s5y h LEU 71 Ca -0.01 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1s5y h LEU 71 Cb 1.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1s5y h LEU 71 CO 0.10 1.19 0.07 -0.78 0.09 0.00 0.00 178.44 179.10 1s5y h ASP 72 N 0.17 0.17 0.22 -0.43 3.58 -1.28 -2.13 116.42 116.72 1s5y h ASP 72 Ca -0.08 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 1s5y h ASP 72 Cb 1.62 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.63 1s5y h ASP 72 CO 0.16 0.15 -0.10 -0.09 -2.88 0.00 0.00 179.24 176.48 1s5y h ARG 73 N 0.20 -0.28 0.00 0.28 2.43 -1.36 -2.50 114.38 113.16 1s5y h ARG 73 Ca 0.05 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1s5y h ARG 73 Cb 0.02 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1s5y h ARG 73 CO -0.01 -0.12 0.00 0.78 -1.51 0.00 0.00 179.97 179.11 1s5y h GLY 74 N -0.37 0.00 2.00 2.80 0.00 -1.41 -1.54 103.07 104.54 1s5y h GLY 74 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 1s5y h GLY 74 CO 0.05 0.00 -0.65 -2.08 0.00 0.00 0.00 176.54 173.86 1s5y h VAL 75 N 0.00 1.34 -0.00 4.60 2.07 -0.99 -2.81 116.25 120.46 1s5y h VAL 75 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1s5y h VAL 75 Cb 0.27 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1s5y h VAL 75 CO 0.00 0.64 -0.17 0.29 0.02 0.00 0.00 177.57 178.35 1s5y n LYS 76 N -3.58 0.41 -2.81 1.57 5.02 -0.59 -4.07 118.16 114.10 1s5y n LYS 76 Ca -0.00 -0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 56.02 1s5y n LYS 76 Cb 0.68 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1s5y n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1s5y n ASN 77 N -1.17 1.28 0.19 4.39 3.02 -1.10 -4.95 115.26 116.93 1s5y n ASN 77 Ca 0.11 -2.81 0.14 0.00 -0.03 0.00 0.00 54.58 52.00 1s5y n ASN 77 Cb 0.30 -0.56 0.74 0.00 -0.61 0.00 0.00 39.78 39.66 1s5y n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1s5y h MET 78 N 3.00 0.00 -0.64 3.52 2.86 -1.65 -0.25 114.93 121.78 1s5y h MET 78 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1s5y h MET 78 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1s5y h MET 78 CO 0.50 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.22 1s5y n ASP 79 N -4.22 4.91 -2.69 1.22 8.00 -1.26 -4.28 116.55 118.22 1s5y n ASP 79 Ca 0.01 -2.67 -0.06 0.00 0.71 0.00 0.00 54.79 52.77 1s5y n ASP 79 Cb 0.26 -0.62 0.10 0.00 -0.02 0.00 0.00 41.12 40.84 1s5y n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s5y n ASN 80 N 0.73 -1.04 0.06 -2.24 5.15 -0.12 -5.02 115.26 112.77 1s5y n ASN 80 Ca 0.24 -2.46 -0.11 0.00 -0.60 0.00 0.00 54.58 51.65 1s5y n ASN 80 Cb 0.99 0.60 -0.08 0.00 -0.53 0.00 0.00 39.78 40.77 1s5y n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1s5y h ILE 81 N 2.60 0.93 -0.92 -1.44 2.04 -1.70 -2.43 117.51 116.58 1s5y h ILE 81 Ca -0.26 -1.09 0.19 0.00 1.00 0.00 0.00 64.86 64.70 1s5y h ILE 81 Cb 1.27 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 38.80 1s5y h ILE 81 CO 0.04 0.23 0.60 0.00 0.00 0.00 0.00 178.15 179.01 1s5y h ALA 82 N -0.17 2.02 0.01 1.87 0.00 -1.92 -0.72 119.26 120.36 1s5y h ALA 82 Ca -0.02 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 1s5y h ALA 82 Cb 0.53 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1s5y h ALA 82 CO 0.03 -0.32 -1.02 0.00 0.00 0.00 0.00 179.25 177.95 1s5y h ALA 83 N 1.61 0.11 -0.09 0.00 0.00 -1.98 -3.10 119.26 115.82 1s5y h ALA 83 Ca 0.48 -0.69 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1s5y h ALA 83 Cb 1.02 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1s5y h ALA 83 CO -0.22 0.65 0.10 1.15 0.00 0.00 0.00 179.25 180.94 1s5y h THR 84 N 0.34 0.54 -0.01 0.00 2.02 -0.61 -2.89 112.91 112.29 1s5y h THR 84 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1s5y h THR 84 Cb 1.68 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1s5y h THR 84 CO 0.20 0.00 -0.02 -1.22 0.37 0.00 0.00 175.52 174.85 1s5y n TYR 85 N -3.89 0.00 -0.32 3.16 4.02 -1.00 -4.65 117.16 114.48 1s5y n TYR 85 Ca -0.01 0.00 0.32 0.00 -0.01 0.00 0.00 57.90 58.21 1s5y n TYR 85 Cb 0.21 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.22 1s5y n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s5y h ALA 86 N 2.00 2.91 0.01 -0.72 0.00 -1.42 0.64 119.26 122.69 1s5y h ALA 86 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1s5y h ALA 86 Cb 0.42 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1s5y h ALA 86 CO 0.00 -1.27 -0.36 0.38 0.00 0.00 0.00 179.25 178.00 1s5y h ASP 87 N 0.09 0.29 -0.53 0.00 2.03 -1.82 -2.92 116.42 113.56 1s5y h ASP 87 Ca 0.58 -0.81 -0.06 0.00 -0.73 0.00 0.00 57.03 56.01 1s5y h ASP 87 Cb 2.10 -0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 40.49 1s5y h ASP 87 CO -0.08 1.07 0.12 -0.07 -1.03 0.00 0.00 179.24 179.24 1s5y h LEU 88 N -0.45 0.84 -0.06 0.15 3.38 -1.21 -2.75 115.31 115.21 1s5y h LEU 88 Ca -0.05 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1s5y h LEU 88 Cb 1.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1s5y h LEU 88 CO 0.07 0.83 -0.13 -1.28 0.09 0.00 0.00 178.44 178.02 1s5y h SER 89 N 0.86 -0.41 0.46 -0.43 0.87 0.12 -2.26 113.55 112.76 1s5y h SER 89 Ca 0.18 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1s5y h SER 89 Cb 0.34 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1s5y h SER 89 CO 0.00 -0.18 -0.23 0.74 -0.53 0.00 0.00 176.83 176.63 1s5y h THR 90 N -0.20 0.83 -0.06 2.23 2.02 -1.41 -2.91 112.91 113.42 1s5y h THR 90 Ca 0.07 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1s5y h THR 90 Cb 0.29 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1s5y h THR 90 CO -0.18 0.22 -0.04 0.25 0.37 0.00 0.00 175.52 176.15 1s5y h LEU 91 N 0.00 0.13 -1.32 2.58 5.85 -1.12 0.43 115.31 121.87 1s5y h LEU 91 Ca -0.00 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1s5y h LEU 91 Cb 0.52 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1s5y h LEU 91 CO 0.03 0.54 -0.26 0.45 -0.34 0.00 0.00 178.44 178.86 1s5y h HIS 92 N -0.27 0.00 0.00 1.25 3.86 -1.38 0.74 115.15 119.35 1s5y h HIS 92 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1s5y h HIS 92 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1s5y h HIS 92 CO 0.08 0.26 -0.70 0.45 0.86 0.00 0.00 177.93 178.88 1s5y n SER 93 N -3.60 1.81 0.23 2.45 2.88 -1.10 0.17 113.62 116.46 1s5y n SER 93 Ca -0.01 0.50 -0.15 0.00 -1.33 0.00 0.00 58.87 57.88 1s5y n SER 93 Cb 0.39 -0.81 -0.08 0.00 -0.75 0.00 0.00 64.21 62.97 1s5y n SER 93 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1s5y h GLU 94 N -0.97 -0.67 0.00 -1.46 4.57 -1.04 -2.85 114.58 112.16 1s5y h GLU 94 Ca 0.00 0.05 -0.32 0.00 -1.18 0.00 0.00 59.36 57.91 1s5y h GLU 94 Cb 0.70 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.39 1s5y h GLU 94 CO 0.00 -0.44 -1.72 1.17 -1.18 0.00 0.00 179.01 176.83 1s5y n LYS 95 N -5.43 0.57 0.23 1.92 4.81 -1.01 -4.57 118.16 114.67 1s5y n LYS 95 Ca -0.10 0.47 0.12 0.00 -0.87 0.00 0.00 58.31 57.92 1s5y n LYS 95 Cb 0.34 -1.66 0.34 0.00 0.02 0.00 0.00 35.03 34.07 1s5y n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1s5y h LEU 96 N -1.00 0.00 -1.48 3.14 4.07 -0.95 -3.48 115.31 115.62 1s5y h LEU 96 Ca -0.48 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.06 1s5y h LEU 96 Cb 1.42 0.00 0.04 0.00 1.08 0.00 0.00 40.66 43.20 1s5y h LEU 96 CO -0.29 0.11 -0.79 1.41 -1.08 0.00 0.00 178.44 177.80 1s5y n HIS 97 N -3.17 -2.11 -3.21 1.13 8.25 -0.05 -4.92 115.22 111.14 1s5y n HIS 97 Ca 0.02 0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 57.97 1s5y n HIS 97 Cb 0.48 -4.37 -0.06 0.00 1.12 0.00 0.00 29.99 27.16 1s5y n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s5y s VAL 98 N -3.52 5.11 0.23 1.59 1.01 0.13 -5.00 120.40 119.95 1s5y s VAL 98 Ca 0.23 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 1s5y s VAL 98 Cb -0.11 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1s5y s VAL 98 CO 0.81 0.24 1.45 -0.62 0.00 0.00 0.00 175.10 176.98 1s5y s ASP 99 N 0.86 6.66 0.59 3.32 2.15 -1.26 -4.67 116.67 124.33 1s5y s ASP 99 Ca 0.28 2.64 0.39 0.00 0.43 0.00 0.00 52.55 56.30 1s5y s ASP 99 Cb -0.16 -2.62 2.15 0.00 -0.30 0.00 0.00 42.92 41.99 1s5y s ASP 99 CO 0.12 -0.71 2.21 1.55 -0.17 0.00 0.00 175.17 178.17 1s5y h PRO 100 N 5.34 0.00 0.00 4.34 0.13 -1.96 -1.10 132.00 138.76 1s5y h PRO 100 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1s5y h PRO 100 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1s5y h PRO 100 CO 0.80 0.00 -0.40 0.22 -0.23 0.00 0.00 178.00 178.39 1s5y h ASP 101 N 0.00 0.00 0.07 1.44 3.58 -1.98 -2.94 116.42 116.59 1s5y h ASP 101 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1s5y h ASP 101 Cb 0.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1s5y h ASP 101 CO 0.00 0.40 -0.04 0.78 -2.88 0.00 0.00 179.24 177.50 1s5y h ASN 102 N 0.00 0.00 0.27 2.28 2.35 -1.57 -1.73 115.58 117.19 1s5y h ASN 102 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1s5y h ASN 102 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1s5y h ASN 102 CO 0.05 0.04 -0.63 -0.26 -1.65 0.00 0.00 177.43 174.98 1s5y h PHE 103 N 0.00 0.44 -0.68 1.19 0.04 -1.67 -2.12 116.94 114.14 1s5y h PHE 103 Ca -0.00 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1s5y h PHE 103 Cb 0.08 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1s5y h PHE 103 CO 0.00 0.88 0.33 -0.22 -0.60 0.00 0.00 178.31 178.70 1s5y h LYS 104 N 0.25 0.98 -0.07 1.51 3.11 -1.44 -1.33 116.57 119.58 1s5y h LYS 104 Ca -0.01 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 57.68 1s5y h LYS 104 Cb 1.16 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1s5y h LYS 104 CO 0.10 0.77 -0.00 -0.07 -2.81 0.00 0.00 179.45 177.45 1s5y h LEU 105 N 0.95 0.12 -1.65 5.20 3.38 -1.31 -2.77 115.31 119.23 1s5y h LEU 105 Ca 0.24 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1s5y h LEU 105 Cb 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1s5y h LEU 105 CO -0.03 0.40 -0.05 0.25 0.09 0.00 0.00 178.44 179.10 1s5y h LEU 106 N -0.17 0.14 0.12 1.67 5.85 -1.29 -2.10 115.31 119.54 1s5y h LEU 106 Ca 0.02 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s5y h LEU 106 Cb 0.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1s5y h LEU 106 CO 0.00 0.22 -0.09 -1.28 -0.34 0.00 0.00 178.44 176.95 1s5y h SER 107 N 0.15 -0.24 -0.52 1.25 0.87 -1.09 -1.73 113.55 112.24 1s5y h SER 107 Ca 0.04 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1s5y h SER 107 Cb 0.20 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1s5y h SER 107 CO 0.01 -0.15 0.21 0.44 -0.53 0.00 0.00 176.83 176.81 1s5y h ASP 108 N -0.22 0.75 -0.67 6.23 3.32 -1.12 -2.28 116.42 122.43 1s5y h ASP 108 Ca -0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 1s5y h ASP 108 Cb 0.20 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1s5y h ASP 108 CO -0.01 0.69 0.14 0.00 -1.72 0.00 0.00 179.24 178.34 1s5y h ILE 110 N 1.02 1.12 -0.41 0.00 2.04 -1.05 -1.36 117.51 118.87 1s5y h ILE 110 Ca 0.21 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.82 1s5y h ILE 110 Cb 0.40 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1s5y h ILE 110 CO 0.01 0.11 0.06 0.74 0.00 0.00 0.00 178.15 179.07 1s5y h THR 111 N 0.23 0.76 -0.75 -0.27 2.02 -1.06 0.41 112.91 114.25 1s5y h THR 111 Ca 0.07 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1s5y h THR 111 Cb 0.08 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1s5y h THR 111 CO -0.01 0.03 0.25 0.40 0.37 0.00 0.00 175.52 176.56 1s5y h ILE 112 N 0.18 1.26 -0.30 3.11 2.04 -0.83 0.33 117.51 123.31 1s5y h ILE 112 Ca 0.20 -0.89 -0.16 0.00 1.00 0.00 0.00 64.86 65.01 1s5y h ILE 112 Cb 0.25 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1s5y h ILE 112 CO -0.28 0.35 -0.42 0.58 0.00 0.00 0.00 178.15 178.38 1s5y h VAL 113 N 1.11 1.29 -0.49 1.67 2.07 -0.85 -2.58 116.25 118.48 1s5y h VAL 113 Ca 0.25 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1s5y h VAL 113 Cb 0.29 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1s5y h VAL 113 CO -0.01 0.52 0.06 0.25 0.02 0.00 0.00 177.57 178.41 1s5y h LEU 114 N 0.57 0.74 -1.65 2.57 5.85 -0.78 -1.92 115.31 120.69 1s5y h LEU 114 Ca 0.03 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1s5y h LEU 114 Cb 1.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1s5y h LEU 114 CO 0.10 0.77 -0.19 0.00 -0.34 0.00 0.00 178.44 178.78 1s5y h ALA 115 N 1.32 1.63 0.00 1.25 0.00 -0.73 -1.58 119.26 121.15 1s5y h ALA 115 Ca 0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1s5y h ALA 115 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1s5y h ALA 115 CO 0.01 0.23 -0.47 0.00 0.00 0.00 0.00 179.25 179.02 1s5y h ALA 116 N 1.81 0.70 0.14 0.00 0.00 -0.96 -2.72 119.26 118.24 1s5y h ALA 116 Ca -0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 54.91 54.16 1s5y h ALA 116 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1s5y h ALA 116 CO 0.02 0.57 -1.66 -0.22 0.00 0.00 0.00 179.25 177.97 1s5y h LYS 117 N 0.00 0.30 0.00 0.00 3.64 -1.12 -3.33 116.57 116.07 1s5y h LYS 117 Ca -0.01 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1s5y h LYS 117 Cb 1.35 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1s5y h LYS 117 CO 0.06 1.25 0.00 -1.33 -2.27 0.00 0.00 179.45 177.16 1s5y n MET 118 N -3.72 0.00 0.00 1.90 2.81 -0.64 -4.95 117.12 112.52 1s5y n MET 118 Ca -0.26 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1s5y n MET 118 Cb 0.99 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.00 1s5y n MET 118 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s5y n GLY 119 N 1.10 3.27 0.00 3.03 0.00 -1.03 -1.28 105.19 110.28 1s5y n GLY 119 Ca 0.06 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1s5y n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s5y n HIS 120 N 14.00 0.00 0.98 1.61 8.25 -1.26 -2.32 115.22 136.48 1s5y n HIS 120 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1s5y n HIS 120 Cb 0.00 -0.38 0.58 0.00 1.12 0.00 0.00 29.99 31.31 1s5y n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5y n ALA 121 N -1.38 2.20 -2.51 -1.41 0.00 -0.41 -4.09 120.51 112.91 1s5y n ALA 121 Ca 0.09 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1s5y n ALA 121 Cb 0.23 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1s5y n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s5y n PHE 122 N -1.43 3.06 -1.14 0.00 7.35 -0.98 -4.92 117.46 119.39 1s5y n PHE 122 Ca 0.08 -2.83 -0.29 0.00 -0.76 0.00 0.00 57.45 53.65 1s5y n PHE 122 Cb 0.27 -1.86 0.18 0.00 0.35 0.00 0.00 39.48 38.41 1s5y n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s5y s THR 123 N -0.03 2.15 0.50 -2.13 -4.23 -1.26 -4.73 115.64 105.91 1s5y s THR 123 Ca 0.38 0.05 0.18 0.00 -1.18 0.00 0.00 61.69 61.12 1s5y s THR 123 Cb 0.07 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.65 1s5y s THR 123 CO 0.02 -0.06 2.10 0.00 -0.54 0.00 0.00 174.62 176.14 1s5y h ALA 124 N -1.89 1.77 -0.09 3.99 0.00 -1.95 0.17 119.26 121.26 1s5y h ALA 124 Ca -0.54 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.09 1s5y h ALA 124 Cb 1.32 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1s5y h ALA 124 CO 0.57 0.09 -0.78 1.49 0.00 0.00 0.00 179.25 180.62 1s5y h GLU 125 N 0.00 0.69 -0.17 0.00 4.81 -1.98 -1.18 114.58 116.75 1s5y h GLU 125 Ca -0.00 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.60 1s5y h GLU 125 Cb 0.14 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1s5y h GLU 125 CO 0.01 1.23 0.07 1.15 -0.73 0.00 0.00 179.01 180.73 1s5y h THR 126 N 0.37 1.15 -0.07 0.32 2.02 -1.74 -2.65 112.91 112.32 1s5y h THR 126 Ca -0.07 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1s5y h THR 126 Cb 1.42 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 1s5y h THR 126 CO 0.16 0.14 -0.20 -0.61 0.37 0.00 0.00 175.52 175.38 1s5y h GLN 127 N 0.12 -0.28 -0.91 6.66 4.15 -0.67 -1.58 115.11 122.61 1s5y h GLN 127 Ca 0.06 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.61 1s5y h GLN 127 Cb 0.17 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.84 1s5y h GLN 127 CO -0.00 -0.18 0.54 0.78 -1.93 0.00 0.00 178.83 178.03 1s5y h GLY 128 N -0.29 1.46 0.85 2.39 0.00 -1.10 -0.37 103.07 106.01 1s5y h GLY 128 Ca 0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1s5y h GLY 128 CO -0.24 0.13 -0.22 0.00 0.00 0.00 0.00 176.54 176.21 1s5y h ALA 129 N 1.50 0.31 -0.49 3.60 0.00 -1.11 -2.34 119.26 120.73 1s5y h ALA 129 Ca 0.45 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1s5y h ALA 129 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1s5y h ALA 129 CO -0.27 0.26 0.04 0.35 0.00 0.00 0.00 179.25 179.63 1s5y h PHE 130 N 0.19 0.83 -0.30 0.00 3.04 -0.94 -1.90 116.94 117.87 1s5y h PHE 130 Ca 0.03 -0.10 -0.17 0.00 3.98 0.00 0.00 57.97 61.71 1s5y h PHE 130 Cb 0.77 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1s5y h PHE 130 CO 0.08 0.75 -0.49 1.96 -2.02 0.00 0.00 178.31 178.58 1s5y h GLN 131 N 0.75 0.86 -0.86 1.11 4.20 -1.05 -2.50 115.11 117.62 1s5y h GLN 131 Ca 0.15 -0.53 0.03 0.00 0.06 0.00 0.00 58.65 58.37 1s5y h GLN 131 Cb 0.39 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1s5y h GLN 131 CO 0.01 1.16 0.56 -0.22 -0.67 0.00 0.00 178.83 179.67 1s5y h LYS 132 N 0.64 1.06 0.62 1.46 3.64 -1.23 0.13 116.57 122.90 1s5y h LYS 132 Ca 0.02 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1s5y h LYS 132 Cb 1.10 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1s5y h LYS 132 CO 0.11 0.70 -0.31 0.35 -2.27 0.00 0.00 179.45 178.04 1s5y h PHE 133 N 1.09 -0.80 -0.24 1.91 3.57 -1.21 -2.35 116.94 118.92 1s5y h PHE 133 Ca 0.34 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1s5y h PHE 133 Cb -0.01 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1s5y h PHE 133 CO -0.02 -0.49 0.12 -0.07 -2.23 0.00 0.00 178.31 175.62 1s5y h LEU 134 N -0.85 0.29 -0.08 0.59 3.38 -1.15 -1.16 115.31 116.33 1s5y h LEU 134 Ca -0.08 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1s5y h LEU 134 Cb 0.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1s5y h LEU 134 CO 0.13 0.25 0.01 0.00 0.09 0.00 0.00 178.44 178.92 1s5y h ALA 135 N 1.80 0.07 -0.63 1.53 0.00 -0.44 0.23 119.26 121.82 1s5y h ALA 135 Ca 0.09 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1s5y h ALA 135 Cb 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1s5y h ALA 135 CO -0.01 -0.46 0.13 0.28 0.00 0.00 0.00 179.25 179.19 1s5y h VAL 136 N 0.04 1.25 -0.40 0.00 2.07 -0.88 -1.50 116.25 116.84 1s5y h VAL 136 Ca 0.04 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.47 1s5y h VAL 136 Cb 0.03 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1s5y h VAL 136 CO -0.05 0.36 -0.27 0.58 0.02 0.00 0.00 177.57 178.20 1s5y h VAL 137 N 0.96 1.27 -0.05 2.57 2.07 -0.89 -2.64 116.25 119.54 1s5y h VAL 137 Ca 0.20 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 1s5y h VAL 137 Cb 0.38 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1s5y h VAL 137 CO 0.01 0.48 -0.49 0.58 0.02 0.00 0.00 177.57 178.16 1s5y h VAL 138 N 0.72 1.35 -0.44 2.57 2.07 -0.27 -2.67 116.25 119.59 1s5y h VAL 138 Ca 0.09 -1.71 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 1s5y h VAL 138 Cb 0.82 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1s5y h VAL 138 CO 0.07 0.50 0.04 0.28 0.02 0.00 0.00 177.57 178.47 1s5y h SER 139 N 0.10 0.72 0.61 0.57 0.02 -1.06 -1.35 113.55 113.16 1s5y h SER 139 Ca 0.00 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1s5y h SER 139 Cb 0.91 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1s5y h SER 139 CO 0.07 0.83 -0.11 0.00 -1.14 0.00 0.00 176.83 176.48 1s5y h ALA 140 N 0.92 1.13 0.04 3.77 0.00 -1.29 -2.49 119.26 121.34 1s5y h ALA 140 Ca 0.13 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1s5y h ALA 140 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1s5y h ALA 140 CO 0.02 0.14 -0.89 -0.07 0.00 0.00 0.00 179.25 178.44 1s5y h LEU 141 N 0.00 0.14 -0.90 0.00 3.38 -1.14 -3.35 115.31 113.44 1s5y h LEU 141 Ca -0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1s5y h LEU 141 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1s5y h LEU 141 CO 0.01 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.53 1s5y n GLY 142 N 1.59 0.22 0.14 0.83 0.00 -0.54 -3.95 105.19 103.49 1s5y n GLY 142 Ca -0.22 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1s5y n GLY 142 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s5y h LYS 143 N 1.26 0.38 -0.02 1.61 3.64 -1.58 -3.48 116.57 118.39 1s5y h LYS 143 Ca 0.00 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 1s5y h LYS 143 Cb 0.36 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1s5y h LYS 143 CO 0.02 1.31 0.00 1.04 -2.27 0.00 0.00 179.45 179.55