#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5y s LEU 2 N 0.00 4.48 0.59 1.04 1.43 -1.26 -5.08 118.68 119.88 1s5y s LEU 2 Ca 0.00 1.68 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1s5y s LEU 2 Cb 0.00 -3.47 0.07 0.00 0.03 0.00 0.00 46.19 42.82 1s5y s LEU 2 CO 0.00 -0.05 0.81 -0.94 0.23 0.00 0.00 176.35 176.41 1s5y s SER 3 N 0.01 5.01 0.22 2.29 1.04 -1.26 -4.89 113.70 116.12 1s5y s SER 3 Ca 0.44 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 1s5y s SER 3 Cb -0.22 -0.32 0.20 0.00 0.10 0.00 0.00 66.02 65.77 1s5y s SER 3 CO 0.28 -1.35 1.88 0.44 0.98 0.00 0.00 173.24 175.47 1s5y h ASP 4 N 0.00 0.88 0.11 7.02 5.19 -1.99 0.42 116.42 128.05 1s5y h ASP 4 Ca -0.37 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 55.88 1s5y h ASP 4 Cb 1.28 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1s5y h ASP 4 CO 0.45 0.63 -0.48 0.07 -3.12 0.00 0.00 179.24 176.78 1s5y h LYS 5 N 1.04 0.44 -0.56 3.56 2.10 -1.99 -1.90 116.57 119.25 1s5y h LYS 5 Ca 0.30 -0.25 -0.02 0.00 -2.00 0.00 0.00 60.65 58.69 1s5y h LYS 5 Cb -0.07 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.25 1s5y h LYS 5 CO -0.08 0.83 0.29 -0.44 -2.00 0.00 0.00 179.45 178.04 1s5y h ASP 6 N 0.35 0.72 -0.64 7.07 3.32 -1.68 -1.17 116.42 124.39 1s5y h ASP 6 Ca 0.02 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1s5y h ASP 6 Cb 0.98 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1s5y h ASP 6 CO 0.09 0.63 0.25 0.11 -1.72 0.00 0.00 179.24 178.59 1s5y h LYS 7 N 0.76 0.97 -0.03 3.56 1.57 -0.75 -2.10 116.57 120.55 1s5y h LYS 7 Ca 0.19 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1s5y h LYS 7 Cb 0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1s5y h LYS 7 CO -0.03 0.82 -0.54 0.00 -0.57 0.00 0.00 179.45 179.13 1s5y h ALA 8 N 1.10 1.05 0.06 3.86 0.00 -1.16 -2.37 119.26 121.80 1s5y h ALA 8 Ca 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1s5y h ALA 8 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1s5y h ALA 8 CO -0.02 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 179.89 1s5y h ALA 9 N 1.39 -0.08 -0.79 0.00 0.00 -0.95 -0.50 119.26 118.34 1s5y h ALA 9 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1s5y h ALA 9 Cb 0.98 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1s5y h ALA 9 CO 0.07 -0.39 0.46 0.28 0.00 0.00 0.00 179.25 179.68 1s5y h VAL 10 N -0.38 0.98 -0.19 0.00 2.07 -1.32 0.36 116.25 117.77 1s5y h VAL 10 Ca -0.01 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1s5y h VAL 10 Cb 0.34 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1s5y h VAL 10 CO 0.01 0.15 -0.06 0.03 0.02 0.00 0.00 177.57 177.72 1s5y h ARG 11 N 0.83 0.38 -0.34 1.57 3.08 -1.39 -0.00 114.38 118.51 1s5y h ARG 11 Ca 0.36 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 60.30 1s5y h ARG 11 Cb 0.23 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1s5y h ARG 11 CO -0.20 0.65 0.06 0.00 -1.07 0.00 0.00 179.97 179.42 1s5y h ALA 12 N 0.72 0.35 -0.10 0.04 0.00 -0.67 -0.79 119.26 118.81 1s5y h ALA 12 Ca 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s5y h ALA 12 Cb 0.52 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1s5y h ALA 12 CO 0.02 -0.35 0.05 1.25 0.00 0.00 0.00 179.25 180.22 1s5y h LEU 13 N 0.17 0.13 -2.00 0.00 5.85 -0.83 -2.79 115.31 115.84 1s5y h LEU 13 Ca 0.16 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1s5y h LEU 13 Cb 0.18 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1s5y h LEU 13 CO -0.22 0.21 0.05 -0.25 -0.34 0.00 0.00 178.44 177.90 1s5y h TRP 14 N 0.04 0.01 -0.00 1.25 2.91 -0.63 -0.01 115.95 119.51 1s5y h TRP 14 Ca 0.03 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 1s5y h TRP 14 Cb 0.11 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 1s5y h TRP 14 CO -0.03 0.00 -0.35 1.03 -1.03 0.00 0.00 178.44 178.06 1s5y h SER 15 N 0.01 0.01 0.10 2.65 0.87 -0.87 0.28 113.55 116.59 1s5y h SER 15 Ca 0.04 -0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.28 1s5y h SER 15 Cb 0.13 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1s5y h SER 15 CO -0.00 0.36 -1.67 0.11 -0.53 0.00 0.00 176.83 175.09 1s5y h LYS 16 N 0.01 0.22 0.07 2.24 1.57 -1.00 -3.40 116.57 116.27 1s5y h LYS 16 Ca -0.00 -0.37 -0.24 0.00 -1.87 0.00 0.00 60.65 58.16 1s5y h LYS 16 Cb 0.62 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1s5y h LYS 16 CO 0.05 1.18 -1.11 0.82 -0.57 0.00 0.00 179.45 179.82 1s5y h ILE 17 N -0.24 1.56 -0.93 1.86 5.03 -1.18 -3.39 117.51 120.21 1s5y h ILE 17 Ca -0.37 -3.09 0.35 0.00 -0.12 0.00 0.00 64.86 61.63 1s5y h ILE 17 Cb 1.82 2.83 -0.17 0.00 -3.03 0.00 0.00 36.82 38.27 1s5y h ILE 17 CO 0.03 0.90 0.37 0.61 -0.68 0.00 0.00 178.15 179.37 1s5y n GLY 18 N 1.36 -0.86 0.32 5.37 0.00 0.97 -1.08 105.19 111.28 1s5y n GLY 18 Ca -0.05 0.80 0.17 0.00 0.00 0.00 0.00 46.02 46.94 1s5y n GLY 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1s5y h LYS 19 N 0.00 0.00 -0.43 1.61 2.10 -1.83 -1.16 116.57 116.86 1s5y h LYS 19 Ca 0.73 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.38 1s5y h LYS 19 Cb 1.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.17 1s5y h LYS 19 CO -0.76 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.12 1s5y n SER 20 N -3.69 4.78 -0.13 7.07 7.64 -0.24 -4.70 113.62 124.34 1s5y n SER 20 Ca -0.01 -2.93 -0.05 0.00 1.01 0.00 0.00 58.87 56.90 1s5y n SER 20 Cb 0.22 -0.61 0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1s5y n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s5y h ALA 21 N 2.95 0.14 -0.63 -0.43 0.00 -1.29 -0.05 119.26 119.94 1s5y h ALA 21 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1s5y h ALA 21 Cb 1.68 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1s5y h ALA 21 CO 0.34 -0.54 0.35 -0.44 0.00 0.00 0.00 179.25 178.97 1s5y h ASP 22 N -0.10 0.54 -0.70 0.00 3.32 -1.84 -0.15 116.42 117.48 1s5y h ASP 22 Ca 0.21 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1s5y h ASP 22 Cb 0.42 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1s5y h ASP 22 CO -0.50 0.36 0.23 0.00 -1.72 0.00 0.00 179.24 177.61 1s5y h ALA 23 N 1.32 1.05 -0.53 3.45 0.00 -1.71 -2.51 119.26 120.33 1s5y h ALA 23 Ca 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1s5y h ALA 23 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1s5y h ALA 23 CO -0.16 0.64 0.23 0.82 0.00 0.00 0.00 179.25 180.78 1s5y h ILE 24 N 1.06 1.21 -0.45 0.00 2.04 0.03 -2.47 117.51 118.93 1s5y h ILE 24 Ca 0.23 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1s5y h ILE 24 Cb 0.29 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1s5y h ILE 24 CO -0.01 0.24 0.00 1.23 0.00 0.00 0.00 178.15 179.62 1s5y h GLY 25 N 0.71 0.80 0.63 5.37 0.00 -0.89 -1.40 103.07 108.29 1s5y h GLY 25 Ca 0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1s5y h GLY 25 CO -0.02 0.48 -0.13 -0.57 0.00 0.00 0.00 176.54 176.31 1s5y h ASN 26 N 0.70 -0.30 -0.36 0.19 -0.00 -1.34 -1.80 115.58 112.68 1s5y h ASN 26 Ca 0.14 -0.21 0.02 0.00 -0.00 0.00 0.00 56.30 56.25 1s5y h ASN 26 Cb 0.43 0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.80 1s5y h ASN 26 CO 0.02 0.08 0.20 -0.78 -0.00 0.00 0.00 177.43 176.95 1s5y h ASP 27 N -0.72 0.32 -0.89 1.15 1.82 -1.45 -1.88 116.42 114.77 1s5y h ASP 27 Ca -0.04 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1s5y h ASP 27 Cb 0.49 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.40 1s5y h ASP 27 CO 0.06 0.23 0.58 0.00 -1.61 0.00 0.00 179.24 178.50 1s5y h ALA 28 N 1.16 1.13 -0.46 -0.78 0.00 -1.30 -1.62 119.26 117.38 1s5y h ALA 28 Ca 0.14 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1s5y h ALA 28 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1s5y h ALA 28 CO -0.07 0.54 -0.10 -0.07 0.00 0.00 0.00 179.25 179.54 1s5y h LEU 29 N 1.21 0.82 -0.06 0.00 3.38 -1.07 -2.20 115.31 117.39 1s5y h LEU 29 Ca 0.32 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s5y h LEU 29 Cb -0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1s5y h LEU 29 CO -0.07 0.95 0.02 0.28 0.09 0.00 0.00 178.44 179.71 1s5y h SER 30 N 0.75 0.08 -0.58 -0.43 0.02 -0.94 -2.55 113.55 109.90 1s5y h SER 30 Ca 0.13 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1s5y h SER 30 Cb 0.60 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1s5y h SER 30 CO 0.04 0.25 0.38 0.03 -1.14 0.00 0.00 176.83 176.38 1s5y h ARG 31 N -0.09 0.75 0.11 3.45 3.08 -1.25 -1.28 114.38 119.15 1s5y h ARG 31 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1s5y h ARG 31 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1s5y h ARG 31 CO -0.00 0.50 -0.11 1.98 -1.07 0.00 0.00 179.97 181.27 1s5y h MET 32 N 0.77 -0.23 -0.73 0.04 4.05 -1.34 0.47 114.93 117.97 1s5y h MET 32 Ca 0.22 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.71 1s5y h MET 32 Cb -0.07 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.73 1s5y h MET 32 CO -0.06 -0.15 0.42 0.82 0.23 0.00 0.00 176.91 178.17 1s5y h ILE 33 N -0.24 0.99 0.19 1.77 2.04 -1.27 0.85 117.51 121.84 1s5y h ILE 33 Ca 0.01 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1s5y h ILE 33 Cb 0.23 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1s5y h ILE 33 CO -0.03 0.14 -0.09 0.58 0.00 0.00 0.00 178.15 178.75 1s5y h VAL 34 N 0.78 0.00 -0.03 1.67 2.07 -0.95 -3.11 116.25 116.67 1s5y h VAL 34 Ca 0.32 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1s5y h VAL 34 Cb 0.18 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1s5y h VAL 34 CO -0.18 0.00 0.04 0.58 0.02 0.00 0.00 177.57 178.03 1s5y h VAL 35 N -0.56 0.56 -2.51 2.57 2.07 -0.09 -3.27 116.25 115.02 1s5y h VAL 35 Ca -0.03 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.90 1s5y h VAL 35 Cb 0.19 0.97 -0.39 0.00 -1.52 0.00 0.00 31.29 30.54 1s5y h VAL 35 CO 0.04 0.00 -0.86 -1.22 0.02 0.00 0.00 177.57 175.55 1s5y n TYR 36 N -3.91 0.53 -0.33 1.57 4.02 0.29 -5.00 117.16 114.34 1s5y n TYR 36 Ca -0.02 -3.66 0.24 0.00 -0.01 0.00 0.00 57.90 54.45 1s5y n TYR 36 Cb 0.12 -0.09 0.47 0.00 -0.02 0.00 0.00 39.34 39.83 1s5y n TYR 36 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1s5y h PRO 37 N 5.30 0.28 -0.36 -0.72 0.13 -1.60 -2.06 132.00 132.97 1s5y h PRO 37 Ca 0.21 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.43 1s5y h PRO 37 Cb 0.85 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1s5y h PRO 37 CO 0.50 0.18 0.74 -0.56 -0.23 0.00 0.00 178.00 178.64 1s5y h GLN 38 N 0.29 0.00 -0.00 0.86 3.07 -1.92 0.20 115.11 117.61 1s5y h GLN 38 Ca 0.73 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.47 1s5y h GLN 38 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.25 1s5y h GLN 38 CO -0.63 0.00 -0.34 0.25 0.09 0.00 0.00 178.83 178.20 1s5y n THR 39 N -3.09 0.00 -0.34 1.86 -2.24 -0.78 -4.25 114.28 105.44 1s5y n THR 39 Ca 0.07 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 1s5y n THR 39 Cb 0.87 0.27 0.14 0.00 -2.10 0.00 0.00 70.33 69.51 1s5y n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1s5y h LYS 40 N 0.59 1.25 -0.99 -0.78 1.57 -0.80 -3.13 116.57 114.27 1s5y h LYS 40 Ca 0.00 -0.08 0.21 0.00 -1.87 0.00 0.00 60.65 58.91 1s5y h LYS 40 Cb 0.49 -0.28 -0.10 0.00 0.08 0.00 0.00 32.23 32.43 1s5y h LYS 40 CO 0.00 0.84 0.62 1.79 -0.57 0.00 0.00 179.45 182.13 1s5y h THR 41 N 1.28 0.65 0.00 -0.16 1.35 -1.77 0.73 112.91 115.00 1s5y h THR 41 Ca 0.34 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1s5y h THR 41 Cb -0.13 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.27 1s5y h THR 41 CO -0.07 0.11 -0.00 1.88 -0.25 0.00 0.00 175.52 177.19 1s5y h TYR 42 N 0.62 0.00 -0.23 4.73 -1.99 -1.86 -2.50 116.97 115.73 1s5y h TYR 42 Ca 0.57 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.30 1s5y h TYR 42 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1s5y h TYR 42 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.35 1s5y n PHE 43 N -3.11 0.51 0.26 4.88 3.72 0.23 -4.65 117.46 119.28 1s5y n PHE 43 Ca -0.02 -0.67 0.08 0.00 -0.05 0.00 0.00 57.45 56.79 1s5y n PHE 43 Cb 0.16 -0.14 0.65 0.00 -0.94 0.00 0.00 39.48 39.22 1s5y n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1s5y h SER 44 N 1.45 0.00 0.08 4.37 4.64 -1.18 -1.49 113.55 121.42 1s5y h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s5y h SER 44 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1s5y h SER 44 CO 0.07 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1s5y n HIS 45 N -4.37 0.00 -3.44 4.77 1.44 -1.26 -4.53 115.22 107.83 1s5y n HIS 45 Ca -0.03 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.30 1s5y n HIS 45 Cb 0.13 -0.39 -0.06 0.00 0.12 0.00 0.00 29.99 29.79 1s5y n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1s5y s TRP 46 N -2.78 3.72 0.06 -1.40 0.51 -0.56 -5.00 118.94 113.48 1s5y s TRP 46 Ca 0.02 1.03 -0.30 0.00 -2.12 0.00 0.00 56.10 54.74 1s5y s TRP 46 Cb 0.02 -2.35 -0.15 0.00 -0.81 0.00 0.00 33.47 30.17 1s5y s TRP 46 CO 0.05 0.58 1.45 -1.35 -0.51 0.00 0.00 176.95 177.18 1s5y h PRO 47 N 4.90 -0.92 -4.65 4.98 0.11 -1.88 -3.39 132.00 131.14 1s5y h PRO 47 Ca -0.50 0.06 -0.70 0.00 0.11 0.00 0.00 66.00 64.97 1s5y h PRO 47 Cb 1.21 0.21 -0.27 0.00 0.11 0.00 0.00 31.00 32.26 1s5y h PRO 47 CO 0.63 -0.61 -0.58 0.34 -0.21 0.00 0.00 178.00 177.57 1s5y s ASP 48 N -3.77 5.44 -0.63 -2.05 2.15 -1.26 -5.00 116.67 111.55 1s5y s ASP 48 Ca -0.15 -1.09 0.06 0.00 0.43 0.00 0.00 52.55 51.80 1s5y s ASP 48 Cb 0.03 -1.91 0.25 0.00 -0.30 0.00 0.00 42.92 40.98 1s5y s ASP 48 CO 0.48 -0.34 0.74 0.52 -0.17 0.00 0.00 175.17 176.39 1s5y n VAL 49 N 4.87 2.21 -4.30 1.11 0.31 -1.26 -4.56 118.33 116.71 1s5y n VAL 49 Ca -0.12 -5.16 -0.16 0.00 -0.01 0.00 0.00 64.34 58.88 1s5y n VAL 49 Cb 0.45 -2.09 -0.10 0.00 -0.91 0.00 0.00 33.84 31.19 1s5y n VAL 49 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1s5y s THR 50 N -2.41 1.35 0.20 2.52 -4.23 -1.26 -5.02 115.64 106.78 1s5y s THR 50 Ca 0.40 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.66 1s5y s THR 50 Cb 0.15 -1.99 0.23 0.00 1.34 0.00 0.00 72.50 72.23 1s5y s THR 50 CO -0.02 -0.63 1.28 -2.65 -0.54 0.00 0.00 174.62 172.06 1s5y n PRO 51 N -0.30 -0.18 0.02 3.99 -0.02 -1.26 -0.75 135.00 136.51 1s5y n PRO 51 Ca -0.09 1.27 -0.02 0.00 -2.02 0.00 0.00 63.50 62.64 1s5y n PRO 51 Cb 0.61 -1.89 0.23 0.00 -0.02 0.00 0.00 33.50 32.43 1s5y n PRO 51 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1s5y h GLY 52 N 0.00 0.50 -1.28 -1.23 0.00 -1.98 -3.45 103.07 95.63 1s5y h GLY 52 Ca 0.30 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 1s5y h GLY 52 CO -0.82 0.35 -0.23 -1.26 0.00 0.00 0.00 176.54 174.57 1s5y n SER 53 N -4.16 -0.67 0.09 0.19 2.88 0.07 -4.80 113.62 107.23 1s5y n SER 53 Ca -0.00 0.26 0.13 0.00 -1.33 0.00 0.00 58.87 57.92 1s5y n SER 53 Cb 0.37 -0.26 0.31 0.00 -0.75 0.00 0.00 64.21 63.88 1s5y n SER 53 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1s5y n PRO 54 N 0.35 0.28 0.09 -1.46 -0.02 -1.26 -2.76 135.00 130.22 1s5y n PRO 54 Ca 0.04 0.17 -0.23 0.00 -2.02 0.00 0.00 63.50 61.45 1s5y n PRO 54 Cb 0.10 -1.76 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1s5y n PRO 54 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s5y h HIS 55 N 0.00 0.78 0.05 6.00 3.86 -1.90 -1.84 115.15 122.10 1s5y h HIS 55 Ca 0.00 -0.57 -0.00 0.00 -1.16 0.00 0.00 60.37 58.64 1s5y h HIS 55 Cb 0.74 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1s5y h HIS 55 CO 0.00 1.58 -0.02 0.82 0.86 0.00 0.00 177.93 181.17 1s5y h ILE 56 N 0.03 1.01 -1.00 2.45 1.08 -1.83 0.53 117.51 119.78 1s5y h ILE 56 Ca -0.29 -0.18 0.09 0.00 -0.39 0.00 0.00 64.86 64.10 1s5y h ILE 56 Cb 2.05 1.13 -0.08 0.00 -3.07 0.00 0.00 36.82 36.85 1s5y h ILE 56 CO 0.20 0.05 0.64 0.50 -0.69 0.00 0.00 178.15 178.85 1s5y h LYS 57 N -0.14 1.04 -0.24 2.37 3.64 -1.60 0.50 116.57 122.14 1s5y h LYS 57 Ca -0.01 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 1s5y h LYS 57 Cb 0.12 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1s5y h LYS 57 CO 0.01 0.69 -0.53 0.00 -2.27 0.00 0.00 179.45 177.35 1s5y h ALA 58 N 1.50 0.39 0.00 5.00 0.00 -0.94 -3.17 119.26 122.05 1s5y h ALA 58 Ca 0.46 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1s5y h ALA 58 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1s5y h ALA 58 CO -0.22 0.59 -0.28 1.25 0.00 0.00 0.00 179.25 180.59 1s5y h HIS 59 N 0.54 0.00 0.00 0.00 -0.00 0.02 -2.62 115.15 113.08 1s5y h HIS 59 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1s5y h HIS 59 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1s5y h HIS 59 CO 0.08 0.28 -0.11 0.78 -0.00 0.00 0.00 177.93 178.96 1s5y h GLY 60 N 2.51 0.00 1.24 5.26 0.00 -0.00 -2.09 103.07 109.99 1s5y h GLY 60 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1s5y h GLY 60 CO 0.04 0.00 -1.02 1.70 0.00 0.00 0.00 176.54 177.25 1s5y h LYS 61 N 0.00 0.69 -0.25 4.80 3.64 -1.49 -2.90 116.57 121.06 1s5y h LYS 61 Ca -0.00 -0.73 -0.19 0.00 -1.27 0.00 0.00 60.65 58.46 1s5y h LYS 61 Cb 0.43 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1s5y h LYS 61 CO 0.01 1.31 -0.61 0.87 -2.27 0.00 0.00 179.45 178.77 1s5y h LYS 62 N 0.39 0.84 0.01 1.90 1.57 -1.45 -1.54 116.57 118.29 1s5y h LYS 62 Ca -0.12 -0.57 0.02 0.00 -1.87 0.00 0.00 60.65 58.12 1s5y h LYS 62 Cb 1.67 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 1s5y h LYS 62 CO 0.20 1.19 -0.17 0.28 -0.57 0.00 0.00 179.45 180.38 1s5y h VAL 63 N 0.63 0.58 0.00 0.50 2.07 -1.46 0.77 116.25 119.34 1s5y h VAL 63 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1s5y h VAL 63 Cb 1.22 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1s5y h VAL 63 CO 0.13 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.89 1s5y h MET 64 N -0.29 0.00 -0.10 1.57 2.86 -1.53 0.74 114.93 118.19 1s5y h MET 64 Ca 0.05 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1s5y h MET 64 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1s5y h MET 64 CO -0.16 0.07 -0.49 0.78 1.06 0.00 0.00 176.91 178.17 1s5y h GLY 65 N 1.37 0.27 1.70 8.32 0.00 0.03 -0.94 103.07 113.83 1s5y h GLY 65 Ca -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1s5y h GLY 65 CO 0.01 0.26 -0.65 -1.33 0.00 0.00 0.00 176.54 174.83 1s5y h GLY 66 N 1.33 0.33 0.97 4.60 0.00 0.13 -1.85 103.07 108.58 1s5y h GLY 66 Ca 0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1s5y h GLY 66 CO 0.08 0.39 -0.26 -2.22 0.00 0.00 0.00 176.54 174.53 1s5y h ILE 67 N 0.22 1.30 -0.60 2.60 1.08 -0.97 -1.21 117.51 119.93 1s5y h ILE 67 Ca -0.01 -1.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.05 1s5y h ILE 67 Cb 1.18 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 36.44 1s5y h ILE 67 CO 0.10 0.45 0.40 0.00 -0.69 0.00 0.00 178.15 178.42 1s5y h ALA 68 N 0.72 1.59 0.24 1.87 0.00 -1.07 0.40 119.26 123.01 1s5y h ALA 68 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1s5y h ALA 68 Cb 0.82 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s5y h ALA 68 CO 0.07 0.37 -0.12 1.25 0.00 0.00 0.00 179.25 180.82 1s5y h LEU 69 N 0.80 -0.28 -0.78 0.00 5.85 -1.03 -2.51 115.31 117.36 1s5y h LEU 69 Ca 0.23 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1s5y h LEU 69 Cb -0.06 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 1s5y h LEU 69 CO -0.05 0.03 0.39 0.00 -0.34 0.00 0.00 178.44 178.47 1s5y h ALA 70 N 0.08 1.11 -0.84 1.25 0.00 -0.60 -0.15 119.26 120.11 1s5y h ALA 70 Ca -0.03 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1s5y h ALA 70 Cb 0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1s5y h ALA 70 CO 0.05 -0.05 0.50 0.28 0.00 0.00 0.00 179.25 180.04 1s5y h VAL 71 N 0.63 0.96 -0.48 0.00 2.07 -0.80 0.69 116.25 119.31 1s5y h VAL 71 Ca 0.40 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 1s5y h VAL 71 Cb 0.48 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1s5y h VAL 71 CO -0.31 0.16 0.08 0.28 0.02 0.00 0.00 177.57 177.80 1s5y h SER 72 N 0.87 0.77 -0.57 0.57 0.02 -0.63 -3.03 113.55 111.54 1s5y h SER 72 Ca 0.39 -0.26 -0.20 0.00 -0.84 0.00 0.00 61.79 60.88 1s5y h SER 72 Cb 0.29 -0.20 -0.12 0.00 0.14 0.00 0.00 62.40 62.50 1s5y h SER 72 CO -0.22 0.83 0.26 0.29 -1.14 0.00 0.00 176.83 176.86 1s5y n LYS 73 N -4.43 2.73 0.27 3.45 4.76 -0.40 -4.65 118.16 119.89 1s5y n LYS 73 Ca 0.01 -2.18 0.16 0.00 -2.87 0.00 0.00 58.31 53.43 1s5y n LYS 73 Cb 0.25 -1.93 0.86 0.00 -1.84 0.00 0.00 35.03 32.37 1s5y n LYS 73 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1s5y h ILE 74 N 1.65 0.00 0.00 -0.18 2.10 -0.76 -1.51 117.51 118.82 1s5y h ILE 74 Ca 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.18 1s5y h ILE 74 Cb 1.99 0.70 -0.00 0.00 -1.09 0.00 0.00 36.82 38.41 1s5y h ILE 74 CO 0.59 0.00 -0.09 0.44 -1.08 0.00 0.00 178.15 178.01 1s5y h ASP 75 N 0.00 0.00 -1.47 2.19 3.32 -1.87 -3.40 116.42 115.19 1s5y h ASP 75 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1s5y h ASP 75 Cb 0.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.52 1s5y h ASP 75 CO 0.00 0.05 -0.59 -0.62 -1.72 0.00 0.00 179.24 176.36 1s5y s ASP 76 N -6.20 -0.26 0.14 6.45 -1.08 -0.58 -5.02 116.67 110.13 1s5y s ASP 76 Ca 0.06 -1.45 -0.10 0.00 -0.52 0.00 0.00 52.55 50.54 1s5y s ASP 76 Cb 0.05 1.22 -0.03 0.00 -1.46 0.00 0.00 42.92 42.71 1s5y s ASP 76 CO 0.68 -0.18 1.46 -0.07 0.52 0.00 0.00 175.17 177.58 1s5y h LEU 77 N 6.55 0.95 -0.37 -1.34 3.38 -1.76 -2.25 115.31 120.47 1s5y h LEU 77 Ca 0.07 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.65 1s5y h LEU 77 Cb 1.10 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1s5y h LEU 77 CO 0.14 1.26 -0.06 0.50 0.09 0.00 0.00 178.44 180.37 1s5y h LYS 78 N 0.70 0.03 0.00 1.13 3.64 -1.91 -0.02 116.57 120.13 1s5y h LYS 78 Ca 0.04 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1s5y h LYS 78 Cb 1.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1s5y h LYS 78 CO 0.10 0.02 -0.58 1.79 -2.27 0.00 0.00 179.45 178.52 1s5y h THR 79 N 0.03 1.00 0.00 1.00 1.35 -1.96 -2.97 112.91 111.36 1s5y h THR 79 Ca 0.18 -2.39 -0.04 0.00 -0.55 0.00 0.00 66.41 63.62 1s5y h THR 79 Cb 0.27 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 1s5y h THR 79 CO -0.35 0.57 -0.17 1.23 -0.25 0.00 0.00 175.52 176.54 1s5y h GLY 80 N 3.36 0.00 -0.22 5.82 0.00 -0.66 -3.14 103.07 108.22 1s5y h GLY 80 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1s5y h GLY 80 CO 0.07 0.00 -0.11 1.04 0.00 0.00 0.00 176.54 177.55 1s5y n LEU 81 N -3.36 2.19 -0.29 3.11 4.77 -0.12 -4.73 117.00 118.56 1s5y n LEU 81 Ca -0.00 -3.00 0.08 0.00 -0.03 0.00 0.00 56.01 53.05 1s5y n LEU 81 Cb 0.38 -0.40 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 1s5y n LEU 81 CO 0.32 0.75 1.09 -0.03 -1.33 0.00 0.00 177.39 178.18 1s5y h MET 82 N 0.12 0.57 0.42 3.23 4.05 -1.47 -1.59 114.93 120.26 1s5y h MET 82 Ca -0.00 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1s5y h MET 82 Cb 1.04 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1s5y h MET 82 CO 0.00 0.38 -0.20 1.05 0.23 0.00 0.00 176.91 178.36 1s5y h GLU 83 N 0.59 -0.55 -0.54 0.39 -0.00 -1.85 -1.49 114.58 111.13 1s5y h GLU 83 Ca 0.47 0.04 0.07 0.00 -0.00 0.00 0.00 59.36 59.94 1s5y h GLU 83 Cb 0.69 0.12 -0.03 0.00 -0.00 0.00 0.00 28.75 29.54 1s5y h GLU 83 CO -0.38 -0.27 0.36 -0.07 -0.00 0.00 0.00 179.01 178.65 1s5y h LEU 84 N -0.76 0.38 0.29 3.06 3.38 -1.82 -0.36 115.31 119.48 1s5y h LEU 84 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1s5y h LEU 84 Cb 0.53 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1s5y h LEU 84 CO 0.10 0.24 -0.14 -1.28 0.09 0.00 0.00 178.44 177.45 1s5y h SER 85 N 0.43 -0.33 -0.91 -0.43 0.87 -1.19 -0.47 113.55 111.52 1s5y h SER 85 Ca 0.24 -0.20 0.18 0.00 -1.23 0.00 0.00 61.79 60.78 1s5y h SER 85 Cb 0.39 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.36 1s5y h SER 85 CO -0.06 0.06 0.59 -0.08 -0.53 0.00 0.00 176.83 176.81 1s5y h GLU 86 N -0.78 0.55 0.14 2.24 4.57 -0.77 -1.61 114.58 118.92 1s5y h GLU 86 Ca -0.04 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1s5y h GLU 86 Cb 0.51 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1s5y h GLU 86 CO 0.07 0.36 -0.07 0.37 -1.18 0.00 0.00 179.01 178.56 1s5y h GLN 87 N 0.57 -0.18 0.00 1.92 4.15 -0.84 -2.61 115.11 118.12 1s5y h GLN 87 Ca 0.48 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.90 1s5y h GLN 87 Cb 0.95 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 1s5y h GLN 87 CO -0.22 0.27 -0.05 0.45 -1.93 0.00 0.00 178.83 177.36 1s5y h HIS 88 N -0.76 0.00 0.00 3.99 3.86 -0.68 -1.00 115.15 120.56 1s5y h HIS 88 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1s5y h HIS 88 Cb 0.53 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 1s5y h HIS 88 CO 0.09 0.05 -0.20 0.00 0.86 0.00 0.00 177.93 178.72 1s5y h ALA 89 N 1.95 0.01 0.04 2.45 0.00 -1.34 0.26 119.26 122.64 1s5y h ALA 89 Ca -0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 1s5y h ALA 89 Cb 0.23 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1s5y h ALA 89 CO 0.01 0.18 -1.84 0.66 0.00 0.00 0.00 179.25 178.26 1s5y n TYR 90 N -4.71 1.06 -0.04 0.00 4.01 -0.98 -3.19 117.16 113.31 1s5y n TYR 90 Ca -0.04 0.31 -0.01 0.00 -0.16 0.00 0.00 57.90 58.00 1s5y n TYR 90 Cb 0.14 -1.17 -0.00 0.00 -0.31 0.00 0.00 39.34 37.99 1s5y n TYR 90 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1s5y h LYS 91 N 0.03 0.00 0.00 -0.72 3.64 -1.45 -3.39 116.57 114.67 1s5y h LYS 91 Ca -0.35 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.90 1s5y h LYS 91 Cb 2.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.83 1s5y h LYS 91 CO 0.08 0.00 -0.64 -0.07 -2.27 0.00 0.00 179.45 176.55 1s5y h LEU 92 N -0.72 0.00 -1.10 5.20 3.38 -1.38 -3.48 115.31 117.21 1s5y h LEU 92 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1s5y h LEU 92 Cb 0.14 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.96 1s5y h LEU 92 CO 0.00 0.64 -0.74 0.54 0.09 0.00 0.00 178.44 178.97 1s5y n ARG 93 N -3.26 -6.61 -2.57 1.13 1.74 -0.34 -4.94 116.66 101.81 1s5y n ARG 93 Ca 0.01 0.73 -0.41 0.00 -0.77 0.00 0.00 57.85 57.41 1s5y n ARG 93 Cb 0.79 -5.66 -0.04 0.00 -1.02 0.00 0.00 32.46 26.52 1s5y n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s5y s VAL 94 N -3.36 4.03 0.03 1.55 1.01 0.77 -4.98 120.40 119.45 1s5y s VAL 94 Ca 0.48 1.73 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 1s5y s VAL 94 Cb -0.22 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1s5y s VAL 94 CO 0.78 0.29 1.65 -0.62 0.00 0.00 0.00 175.10 177.19 1s5y s ASP 95 N -0.06 6.63 0.63 3.32 -1.08 -1.26 -4.78 116.67 120.07 1s5y s ASP 95 Ca 0.49 2.41 0.31 0.00 -0.52 0.00 0.00 52.55 55.24 1s5y s ASP 95 Cb -0.28 -2.55 1.68 0.00 -1.46 0.00 0.00 42.92 40.31 1s5y s ASP 95 CO 0.33 -0.89 2.00 1.55 0.52 0.00 0.00 175.17 178.69 1s5y h PRO 96 N 8.68 0.00 -0.00 4.34 0.13 -1.95 -2.23 132.00 140.97 1s5y h PRO 96 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1s5y h PRO 96 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s5y h PRO 96 CO 0.93 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.70 1s5y h ALA 97 N 1.54 1.98 0.00 -0.56 0.00 -2.02 -2.96 119.26 117.23 1s5y h ALA 97 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s5y h ALA 97 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1s5y h ALA 97 CO -0.00 -0.00 0.00 -0.91 0.00 0.00 0.00 179.25 178.34 1s5y h ASN 98 N 0.00 0.00 -0.97 0.00 -0.26 -1.79 -3.28 115.58 109.27 1s5y h ASN 98 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1s5y h ASN 98 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.22 1s5y h ASN 98 CO -0.00 0.00 0.63 -0.26 -1.06 0.00 0.00 177.43 176.74 1s5y h PHE 99 N 0.00 1.24 -0.71 1.19 0.04 -1.74 -1.70 116.94 115.26 1s5y h PHE 99 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1s5y h PHE 99 Cb 0.50 -0.42 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1s5y h PHE 99 CO 0.00 0.79 0.35 0.87 -0.60 0.00 0.00 178.31 179.72 1s5y h LYS 100 N 1.32 1.01 0.17 1.51 6.56 -1.80 -0.78 116.57 124.57 1s5y h LYS 100 Ca 0.35 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.80 1s5y h LYS 100 Cb -0.13 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.34 1s5y h LYS 100 CO -0.07 0.77 -0.08 0.82 -2.06 0.00 0.00 179.45 178.83 1s5y h ILE 101 N 1.01 0.83 -0.92 1.86 2.04 -1.52 0.48 117.51 121.29 1s5y h ILE 101 Ca 0.25 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 1s5y h ILE 101 Cb 0.10 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1s5y h ILE 101 CO -0.03 0.00 0.56 0.25 0.00 0.00 0.00 178.15 178.92 1s5y h LEU 102 N -0.23 1.10 -0.39 1.44 5.85 -1.07 -1.86 115.31 120.15 1s5y h LEU 102 Ca -0.02 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1s5y h LEU 102 Cb 0.18 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1s5y h LEU 102 CO 0.04 0.85 0.13 0.78 -0.34 0.00 0.00 178.44 179.89 1s5y h ASN 103 N 1.26 0.13 -0.27 1.25 2.35 -0.68 -0.81 115.58 118.81 1s5y h ASN 103 Ca 0.33 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.16 1s5y h ASN 103 Cb -0.06 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1s5y h ASN 103 CO -0.06 0.11 0.07 -0.74 -1.65 0.00 0.00 177.43 175.16 1s5y h HIS 104 N 0.29 0.11 -0.96 1.19 2.76 -0.34 -1.68 115.15 116.52 1s5y h HIS 104 Ca 0.18 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1s5y h HIS 104 Cb 0.16 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 1s5y h HIS 104 CO -0.15 0.04 0.63 0.00 -1.30 0.00 0.00 177.93 177.15 1s5y h ILE 106 N 1.30 1.23 -0.27 0.00 2.04 -0.73 -1.35 117.51 119.73 1s5y h ILE 106 Ca 0.35 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1s5y h ILE 106 Cb -0.15 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1s5y h ILE 106 CO -0.08 0.27 0.09 -0.07 0.00 0.00 0.00 178.15 178.36 1s5y h LEU 107 N 1.07 0.40 0.01 1.44 3.38 -0.35 -1.73 115.31 119.52 1s5y h LEU 107 Ca 0.26 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1s5y h LEU 107 Cb 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1s5y h LEU 107 CO -0.04 0.49 -0.21 0.58 0.09 0.00 0.00 178.44 179.35 1s5y h VAL 108 N 0.28 0.51 -0.40 1.22 2.07 -1.03 -1.16 116.25 117.73 1s5y h VAL 108 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1s5y h VAL 108 Cb 0.23 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1s5y h VAL 108 CO -0.00 0.00 0.15 0.58 0.02 0.00 0.00 177.57 178.32 1s5y h VAL 109 N -0.34 0.89 -0.95 2.57 2.07 -1.17 0.54 116.25 119.86 1s5y h VAL 109 Ca 0.06 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1s5y h VAL 109 Cb 0.41 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1s5y h VAL 109 CO -0.19 0.06 0.62 0.40 0.02 0.00 0.00 177.57 178.47 1s5y h ILE 110 N 0.32 1.07 -0.67 4.57 2.04 -0.95 0.16 117.51 124.05 1s5y h ILE 110 Ca 0.19 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1s5y h ILE 110 Cb 0.16 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 1s5y h ILE 110 CO -0.18 0.20 0.16 0.28 0.00 0.00 0.00 178.15 178.61 1s5y h SER 111 N 1.09 1.02 -0.46 1.72 0.02 0.08 0.40 113.55 117.42 1s5y h SER 111 Ca 0.41 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1s5y h SER 111 Cb 0.19 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1s5y h SER 111 CO -0.16 0.99 0.25 0.74 -1.14 0.00 0.00 176.83 177.51 1s5y h THR 112 N 1.00 0.99 0.15 -2.27 2.02 0.61 -3.00 112.91 112.42 1s5y h THR 112 Ca 0.21 -0.17 -0.34 0.00 0.77 0.00 0.00 66.41 66.89 1s5y h THR 112 Cb 0.37 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1s5y h THR 112 CO 0.00 0.09 -1.73 0.24 0.37 0.00 0.00 175.52 174.50 1s5y h MET 113 N 0.49 0.33 -2.25 6.66 2.07 -0.41 -3.41 114.93 118.41 1s5y h MET 113 Ca 0.20 -0.56 -0.58 0.00 -2.07 0.00 0.00 59.70 56.69 1s5y h MET 113 Cb 0.08 0.21 -0.42 0.00 -1.87 0.00 0.00 31.60 29.60 1s5y h MET 113 CO -0.12 1.27 -0.68 1.19 1.07 0.00 0.00 176.91 179.64 1s5y n PHE 114 N -3.66 3.66 0.20 -0.22 3.72 0.14 -4.87 117.46 116.43 1s5y n PHE 114 Ca -0.27 -4.01 0.12 0.00 -0.05 0.00 0.00 57.45 53.25 1s5y n PHE 114 Cb 1.02 -0.50 0.70 0.00 -0.94 0.00 0.00 39.48 39.76 1s5y n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1s5y h PRO 115 N 3.22 0.00 0.00 -1.08 0.13 -1.68 -1.00 132.00 131.59 1s5y h PRO 115 Ca 0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.14 1s5y h PRO 115 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1s5y h PRO 115 CO 0.80 0.00 -0.63 -0.22 -0.23 0.00 0.00 178.00 177.72 1s5y h LYS 116 N 0.00 0.00 0.00 0.86 3.64 -1.89 -3.33 116.57 115.84 1s5y h LYS 116 Ca 0.06 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1s5y h LYS 116 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1s5y h LYS 116 CO -0.00 0.63 -2.04 0.39 -2.27 0.00 0.00 179.45 176.16 1s5y n GLU 117 N -3.28 0.66 -1.96 1.90 4.71 -0.92 -4.63 120.64 117.11 1s5y n GLU 117 Ca 0.01 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.16 56.64 1s5y n GLU 117 Cb 0.78 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.65 1s5y n GLU 117 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1s5y n PHE 118 N -2.47 3.31 -1.57 -0.32 7.35 -0.43 -4.83 117.46 118.50 1s5y n PHE 118 Ca -0.13 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.36 1s5y n PHE 118 Cb 0.77 -2.32 0.12 0.00 0.35 0.00 0.00 39.48 38.39 1s5y n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s5y s THR 119 N 2.12 2.34 0.26 -2.13 -4.23 -1.26 -4.79 115.64 107.95 1s5y s THR 119 Ca 0.44 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 1s5y s THR 119 Cb 0.12 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.33 1s5y s THR 119 CO -0.05 -0.15 1.86 -0.65 -0.54 0.00 0.00 174.62 175.09 1s5y h PRO 120 N -1.34 1.04 -0.27 3.99 0.11 -1.98 0.57 132.00 134.12 1s5y h PRO 120 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1s5y h PRO 120 Cb 1.31 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1s5y h PRO 120 CO 0.61 0.69 0.13 0.93 -0.21 0.00 0.00 178.00 180.15 1s5y h GLU 121 N 1.07 0.38 -0.72 1.05 3.07 -1.97 -0.92 114.58 116.54 1s5y h GLU 121 Ca 0.41 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.24 1s5y h GLU 121 Cb 0.19 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 1s5y h GLU 121 CO -0.18 0.36 0.46 0.00 -1.40 0.00 0.00 179.01 178.25 1s5y h ALA 122 N 1.00 0.94 -0.50 3.43 0.00 -1.68 -2.53 119.26 119.91 1s5y h ALA 122 Ca 0.09 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1s5y h ALA 122 Cb 0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1s5y h ALA 122 CO -0.01 0.26 0.18 1.25 0.00 0.00 0.00 179.25 180.93 1s5y h HIS 123 N 0.91 0.32 -0.09 0.00 6.17 -0.33 0.42 115.15 122.55 1s5y h HIS 123 Ca 0.28 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.43 1s5y h HIS 123 Cb -0.02 -0.07 -0.05 0.00 2.52 0.00 0.00 27.41 29.80 1s5y h HIS 123 CO -0.03 0.10 -0.19 0.28 0.71 0.00 0.00 177.93 178.80 1s5y h VAL 124 N 0.36 0.53 -0.38 5.26 2.07 -0.74 -0.02 116.25 123.32 1s5y h VAL 124 Ca 0.24 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.67 1s5y h VAL 124 Cb 0.26 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1s5y h VAL 124 CO -0.25 0.00 -0.13 0.28 0.02 0.00 0.00 177.57 177.50 1s5y h SER 125 N -0.26 0.78 -0.02 0.57 0.02 -1.37 -2.06 113.55 111.20 1s5y h SER 125 Ca 0.08 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 1s5y h SER 125 Cb 0.38 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1s5y h SER 125 CO -0.24 0.98 -0.14 0.25 -1.14 0.00 0.00 176.83 176.54 1s5y h LEU 126 N 0.57 0.32 -0.26 5.07 5.85 -0.76 -0.14 115.31 125.95 1s5y h LEU 126 Ca 0.09 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1s5y h LEU 126 Cb 0.66 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1s5y h LEU 126 CO 0.04 0.49 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.79 1s5y h ASP 127 N 0.31 0.51 -0.41 1.25 3.58 -0.81 -0.24 116.42 120.60 1s5y h ASP 127 Ca 0.06 -0.36 -0.08 0.00 0.42 0.00 0.00 57.03 57.07 1s5y h ASP 127 Cb 0.44 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1s5y h ASP 127 CO 0.03 0.76 -0.00 0.11 -2.88 0.00 0.00 179.24 177.25 1s5y h LYS 128 N 0.26 0.81 -0.73 0.28 1.57 -1.06 -0.91 116.57 116.79 1s5y h LYS 128 Ca 0.07 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1s5y h LYS 128 Cb 0.53 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1s5y h LYS 128 CO 0.03 0.82 0.41 0.35 -0.57 0.00 0.00 179.45 180.48 1s5y h PHE 129 N 0.76 0.99 0.00 -1.35 3.57 -0.75 -1.04 116.94 119.12 1s5y h PHE 129 Ca 0.15 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1s5y h PHE 129 Cb 0.46 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1s5y h PHE 129 CO 0.03 0.69 -0.58 -0.07 -2.23 0.00 0.00 178.31 176.15 1s5y h LEU 130 N 1.00 0.00 -0.61 0.59 3.38 -0.59 -0.66 115.31 118.42 1s5y h LEU 130 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 1s5y h LEU 130 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1s5y h LEU 130 CO -0.04 0.58 -0.43 0.28 0.09 0.00 0.00 178.44 178.92 1s5y h SER 131 N 0.00 0.65 -0.28 -0.43 0.02 -0.82 0.43 113.55 113.11 1s5y h SER 131 Ca -0.01 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1s5y h SER 131 Cb 1.11 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1s5y h SER 131 CO 0.08 0.99 0.04 1.23 -1.14 0.00 0.00 176.83 178.03 1s5y h GLY 132 N 1.02 0.51 0.80 -3.77 0.00 -0.90 -0.98 103.07 99.75 1s5y h GLY 132 Ca 0.04 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1s5y h GLY 132 CO 0.09 0.32 0.17 -2.08 0.00 0.00 0.00 176.54 175.03 1s5y h VAL 133 N 0.29 0.97 -0.82 4.60 2.07 -0.83 -0.37 116.25 122.15 1s5y h VAL 133 Ca 0.09 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1s5y h VAL 133 Cb 0.35 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1s5y h VAL 133 CO 0.01 0.06 0.37 0.00 0.02 0.00 0.00 177.57 178.03 1s5y h ALA 134 N 1.20 1.10 -0.78 1.67 0.00 -0.78 -0.08 119.26 121.59 1s5y h ALA 134 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1s5y h ALA 134 Cb 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1s5y h ALA 134 CO -0.12 0.66 0.44 1.25 0.00 0.00 0.00 179.25 181.48 1s5y h LEU 135 N 1.17 0.96 -0.30 0.00 5.85 -0.72 -1.78 115.31 120.50 1s5y h LEU 135 Ca 0.28 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 1s5y h LEU 135 Cb 0.16 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1s5y h LEU 135 CO -0.03 0.78 -0.46 0.00 -0.34 0.00 0.00 178.44 178.39 1s5y h ALA 136 N 1.23 0.46 -0.21 1.25 0.00 -0.66 -2.89 119.26 118.44 1s5y h ALA 136 Ca 0.27 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1s5y h ALA 136 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1s5y h ALA 136 CO -0.05 0.61 0.08 -0.07 0.00 0.00 0.00 179.25 179.83 1s5y h LEU 137 N 0.62 0.26 0.00 0.00 -0.00 -0.72 -1.40 115.31 114.07 1s5y h LEU 137 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1s5y h LEU 137 Cb 1.06 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1s5y h LEU 137 CO 0.11 0.24 0.00 0.00 -0.00 0.00 0.00 178.44 178.79 1s5y n ALA 138 N -2.50 2.40 -0.28 1.53 0.00 -0.70 -4.28 120.51 116.68 1s5y n ALA 138 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.39 1s5y n ALA 138 Cb 0.12 -1.48 0.18 0.00 0.00 0.00 0.00 19.45 18.27 1s5y n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1s5y h GLU 139 N 0.00 0.08 -0.63 0.00 4.57 -1.04 -2.48 114.58 115.07 1s5y h GLU 139 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s5y h GLU 139 Cb 0.41 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1s5y h GLU 139 CO 0.00 0.05 0.00 0.54 -1.18 0.00 0.00 179.01 178.42 1s5y n ARG 140 N -5.39 3.23 0.02 1.92 5.12 -1.26 -4.41 116.66 115.89 1s5y n ARG 140 Ca 0.16 -2.18 -0.19 0.00 -1.93 0.00 0.00 57.85 53.70 1s5y n ARG 140 Cb 0.53 -1.81 -0.11 0.00 -1.16 0.00 0.00 32.46 29.92 1s5y n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1s5y h TYR 141 N 3.06 0.84 0.00 -1.55 0.05 -1.74 -3.47 116.97 114.15 1s5y h TYR 141 Ca 0.00 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1s5y h TYR 141 Cb 1.24 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1s5y h TYR 141 CO 0.63 1.28 0.00 0.54 -1.05 0.00 0.00 178.16 179.56