#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 4.53 0.00 1.04 1.43 -1.26 -5.06 118.68 119.35 1s5y s LEU 2 Ca 0.00 1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 54.73 1s5y s LEU 2 Cb 0.00 -3.42 0.17 0.00 0.03 0.00 0.00 46.19 42.97 1s5y s LEU 2 CO 0.00 0.05 1.09 -1.54 0.23 0.00 0.00 176.35 176.18 1s5y n SER 3 N 2.35 1.01 0.08 2.29 3.41 -1.26 -4.84 113.62 116.67 1s5y n SER 3 Ca -0.01 -1.96 -0.01 0.00 -0.26 0.00 0.00 58.87 56.62 1s5y n SER 3 Cb 0.49 -0.74 0.27 0.00 -0.26 0.00 0.00 64.21 63.96 1s5y n SER 3 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1s5y h ASP 4 N -0.90 0.29 -0.15 4.04 3.32 -1.99 -0.90 116.42 120.12 1s5y h ASP 4 Ca -0.36 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 1s5y h ASP 4 Cb 1.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1s5y h ASP 4 CO 0.34 0.58 -0.26 0.50 -1.72 0.00 0.00 179.24 178.69 1s5y h LYS 5 N 0.25 0.62 -0.07 3.56 3.64 -1.99 -0.95 116.57 121.63 1s5y h LYS 5 Ca 0.04 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1s5y h LYS 5 Cb 0.66 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1s5y h LYS 5 CO 0.05 0.82 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.51 1s5y h ASP 6 N 0.54 0.21 -0.98 4.20 3.32 -1.75 -0.73 116.42 121.22 1s5y h ASP 6 Ca 0.07 -0.51 0.06 0.00 0.02 0.00 0.00 57.03 56.67 1s5y h ASP 6 Cb 0.72 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1s5y h ASP 6 CO 0.06 0.68 0.63 0.11 -1.72 0.00 0.00 179.24 178.99 1s5y h LYS 7 N -0.26 1.14 -0.33 3.56 1.57 -1.12 -0.26 116.57 120.87 1s5y h LYS 7 Ca 0.01 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1s5y h LYS 7 Cb 0.62 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1s5y h LYS 7 CO 0.02 0.75 -0.38 0.00 -0.57 0.00 0.00 179.45 179.28 1s5y h ALA 8 N 1.43 0.70 -0.39 3.86 0.00 -1.14 -2.43 119.26 121.30 1s5y h ALA 8 Ca 0.41 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s5y h ALA 8 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1s5y h ALA 8 CO -0.16 0.66 0.24 0.00 0.00 0.00 0.00 179.25 179.99 1s5y h ALA 9 N 0.92 0.49 -0.40 0.00 0.00 0.09 -1.09 119.26 119.27 1s5y h ALA 9 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1s5y h ALA 9 Cb 0.93 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1s5y h ALA 9 CO 0.09 -0.02 -0.16 0.28 0.00 0.00 0.00 179.25 179.44 1s5y h VAL 10 N 0.51 1.26 -0.34 0.00 2.07 -1.05 -2.01 116.25 116.69 1s5y h VAL 10 Ca 0.14 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 1s5y h VAL 10 Cb -0.01 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1s5y h VAL 10 CO -0.03 0.42 -0.26 0.03 0.02 0.00 0.00 177.57 177.75 1s5y h ARG 11 N 0.67 0.78 -0.47 1.57 3.08 -1.22 0.66 114.38 119.46 1s5y h ARG 11 Ca 0.11 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1s5y h ARG 11 Cb 0.65 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1s5y h ARG 11 CO 0.05 1.01 0.26 0.00 -1.07 0.00 0.00 179.97 180.21 1s5y h ALA 12 N 0.76 0.60 0.07 0.04 0.00 -1.11 -1.66 119.26 117.96 1s5y h ALA 12 Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s5y h ALA 12 Cb 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s5y h ALA 12 CO 0.07 0.12 -0.03 1.25 0.00 0.00 0.00 179.25 180.66 1s5y h LEU 13 N 0.62 -0.08 -1.61 0.00 5.85 -1.28 -3.06 115.31 115.75 1s5y h LEU 13 Ca 0.17 -0.36 0.19 0.00 0.84 0.00 0.00 57.88 58.71 1s5y h LEU 13 Cb 0.05 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1s5y h LEU 13 CO -0.03 0.33 0.56 -0.25 -0.34 0.00 0.00 178.44 178.71 1s5y h TRP 14 N -0.51 0.44 0.00 1.25 2.91 -0.79 0.17 115.95 119.42 1s5y h TRP 14 Ca -0.01 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1s5y h TRP 14 Cb 0.43 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.95 1s5y h TRP 14 CO 0.06 0.14 0.00 0.66 -1.03 0.00 0.00 178.44 178.27 1s5y h SER 15 N 0.35 0.00 0.27 2.65 4.64 -1.19 0.57 113.55 120.84 1s5y h SER 15 Ca 0.42 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.41 1s5y h SER 15 Cb 1.10 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 1s5y h SER 15 CO -0.13 0.00 -2.01 0.29 -0.87 0.00 0.00 176.83 174.11 1s5y n LYS 16 N -2.89 0.66 0.02 4.77 5.02 0.46 -4.55 118.16 121.66 1s5y n LYS 16 Ca 0.01 0.17 -0.19 0.00 -2.02 0.00 0.00 58.31 56.27 1s5y n LYS 16 Cb 0.27 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 1s5y n LYS 16 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1s5y h ILE 17 N 0.00 0.79 -1.31 -0.18 5.03 -0.75 -3.40 117.51 117.70 1s5y h ILE 17 Ca -0.40 -2.49 0.44 0.00 -0.12 0.00 0.00 64.86 62.29 1s5y h ILE 17 Cb 2.11 2.59 -0.13 0.00 -3.03 0.00 0.00 36.82 38.35 1s5y h ILE 17 CO 0.06 0.83 0.83 1.23 -0.68 0.00 0.00 178.15 180.42 1s5y h GLY 18 N 1.40 1.39 1.89 5.37 0.00 -0.10 0.96 103.07 113.98 1s5y h GLY 18 Ca -0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1s5y h GLY 18 CO 0.12 -0.44 -0.03 0.07 0.00 0.00 0.00 176.54 176.26 1s5y h LYS 19 N 0.07 0.14 -0.66 4.80 2.10 -1.82 -2.32 116.57 118.88 1s5y h LYS 19 Ca 0.83 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.46 1s5y h LYS 19 Cb 2.58 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.88 1s5y h LYS 19 CO -0.45 0.19 0.00 0.43 -2.00 0.00 0.00 179.45 177.61 1s5y n SER 20 N -4.42 4.56 -0.30 7.07 7.64 0.33 -4.64 113.62 123.85 1s5y n SER 20 Ca -0.01 -2.40 0.11 0.00 1.01 0.00 0.00 58.87 57.57 1s5y n SER 20 Cb 0.16 -0.57 0.25 0.00 -1.01 0.00 0.00 64.21 63.05 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 4.11 1.10 -0.09 -0.43 0.00 -1.41 0.42 119.26 122.96 1s5y h ALA 21 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1s5y h ALA 21 Cb 1.38 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1s5y h ALA 21 CO 0.22 -0.49 -0.41 -0.44 0.00 0.00 0.00 179.25 178.13 1s5y h ASP 22 N 0.11 0.21 -0.13 0.00 5.19 -1.85 -0.48 116.42 119.47 1s5y h ASP 22 Ca 0.53 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.82 1s5y h ASP 22 Cb 1.04 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.49 1s5y h ASP 22 CO -0.75 0.60 -0.03 0.00 -3.12 0.00 0.00 179.24 175.94 1s5y h ALA 23 N 1.41 0.18 -0.40 3.45 0.00 -1.31 -2.70 119.26 119.89 1s5y h ALA 23 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1s5y h ALA 23 Cb 0.80 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1s5y h ALA 23 CO 0.06 -0.08 0.24 0.82 0.00 0.00 0.00 179.25 180.29 1s5y h ILE 24 N -0.06 1.05 -0.62 0.00 2.04 -1.01 -1.45 117.51 117.46 1s5y h ILE 24 Ca 0.03 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1s5y h ILE 24 Cb 0.45 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1s5y h ILE 24 CO 0.01 0.09 0.21 1.23 0.00 0.00 0.00 178.15 179.69 1s5y h GLY 25 N 0.48 1.00 0.49 5.37 0.00 -1.09 -0.20 103.07 109.13 1s5y h GLY 25 Ca 0.16 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1s5y h GLY 25 CO -0.07 0.51 -0.03 -0.57 0.00 0.00 0.00 176.54 176.38 1s5y h ASN 26 N 0.91 -0.08 -0.02 0.19 -0.73 -1.19 -1.68 115.58 112.98 1s5y h ASN 26 Ca 0.21 -0.43 0.02 0.00 1.87 0.00 0.00 56.30 57.96 1s5y h ASN 26 Cb 0.23 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1s5y h ASN 26 CO -0.01 0.42 -0.07 -0.78 -0.37 0.00 0.00 177.43 176.61 1s5y h ASP 27 N -0.61 -0.22 -0.07 1.15 3.58 -1.24 0.11 116.42 119.12 1s5y h ASP 27 Ca -0.01 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.51 1s5y h ASP 27 Cb 0.51 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1s5y h ASP 27 CO 0.02 -0.11 -0.11 0.00 -2.88 0.00 0.00 179.24 176.16 1s5y h ALA 28 N 0.88 -0.06 -0.74 -0.78 0.00 -1.09 0.14 119.26 117.61 1s5y h ALA 28 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s5y h ALA 28 Cb 0.17 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1s5y h ALA 28 CO -0.09 -0.58 0.43 1.25 0.00 0.00 0.00 179.25 180.26 1s5y h LEU 29 N -0.15 0.89 0.02 0.00 6.46 -1.17 -0.61 115.31 120.75 1s5y h LEU 29 Ca 0.06 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1s5y h LEU 29 Cb 0.24 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1s5y h LEU 29 CO -0.16 0.70 -0.01 0.28 -0.62 0.00 0.00 178.44 178.63 1s5y h SER 30 N 1.02 -0.02 -0.26 1.25 0.02 -0.40 -2.66 113.55 112.50 1s5y h SER 30 Ca 0.27 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1s5y h SER 30 Cb -0.02 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 1s5y h SER 30 CO -0.05 0.21 -0.04 0.03 -1.14 0.00 0.00 176.83 175.85 1s5y h ARG 31 N -0.26 0.03 -0.40 3.45 3.08 -0.65 -2.00 114.38 117.63 1s5y h ARG 31 Ca -0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1s5y h ARG 31 Cb 0.25 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 1s5y h ARG 31 CO 0.00 0.02 -0.13 1.98 -1.07 0.00 0.00 179.97 180.77 1s5y h MET 32 N 0.03 -0.04 -0.70 0.04 4.05 -1.08 0.21 114.93 117.44 1s5y h MET 32 Ca 0.12 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 1s5y h MET 32 Cb 0.18 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1s5y h MET 32 CO -0.24 -0.03 0.44 0.82 0.23 0.00 0.00 176.91 178.13 1s5y h ILE 33 N -0.04 1.11 -0.04 1.77 2.04 -1.13 0.29 117.51 121.51 1s5y h ILE 33 Ca 0.20 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 1s5y h ILE 33 Cb 0.34 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1s5y h ILE 33 CO -0.44 0.16 -0.43 0.58 0.00 0.00 0.00 178.15 178.03 1s5y h VAL 34 N 0.88 1.44 0.01 1.67 2.07 -0.79 -3.20 116.25 118.33 1s5y h VAL 34 Ca 0.28 -1.89 -0.20 0.00 0.82 0.00 0.00 66.70 65.71 1s5y h VAL 34 Cb -0.01 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1s5y h VAL 34 CO -0.10 0.54 -0.90 0.58 0.02 0.00 0.00 177.57 177.72 1s5y h VAL 35 N -0.15 1.55 -2.52 2.57 2.07 -0.55 -3.37 116.25 115.85 1s5y h VAL 35 Ca -0.04 -2.80 -0.60 0.00 0.82 0.00 0.00 66.70 64.08 1s5y h VAL 35 Cb 1.11 2.56 -0.41 0.00 -1.52 0.00 0.00 31.29 33.03 1s5y h VAL 35 CO 0.09 0.81 -0.71 -1.22 0.02 0.00 0.00 177.57 176.56 1s5y n TYR 36 N -3.59 2.34 -0.43 1.57 4.02 0.10 -4.95 117.16 116.22 1s5y n TYR 36 Ca -0.03 -4.02 0.37 0.00 -0.01 0.00 0.00 57.90 54.22 1s5y n TYR 36 Cb 0.83 -0.44 0.71 0.00 -0.02 0.00 0.00 39.34 40.42 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 4.79 0.08 -0.72 -0.72 0.13 -1.73 -0.43 132.00 133.40 1s5y h PRO 37 Ca 0.17 -0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.51 1s5y h PRO 37 Cb 0.76 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.84 1s5y h PRO 37 CO 0.68 0.05 0.54 -0.56 -0.23 0.00 0.00 178.00 178.48 1s5y h GLN 38 N 0.08 0.00 -0.03 0.86 3.07 -1.92 0.17 115.11 117.34 1s5y h GLN 38 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.44 1s5y h GLN 38 Cb 2.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.07 1s5y h GLN 38 CO -0.13 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.04 1s5y n THR 39 N -4.26 0.04 0.18 1.86 -2.24 -0.17 -3.92 114.28 105.77 1s5y n THR 39 Ca 0.14 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1s5y n THR 39 Cb 0.81 -0.05 0.35 0.00 -2.10 0.00 0.00 70.33 69.33 1s5y n THR 39 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s5y h LYS 40 N 0.96 0.00 -0.34 -0.78 3.64 -0.84 -3.31 116.57 115.91 1s5y h LYS 40 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1s5y h LYS 40 Cb 0.21 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1s5y h LYS 40 CO 0.00 0.40 -0.44 1.15 -2.27 0.00 0.00 179.45 178.30 1s5y h THR 41 N 0.00 0.11 0.00 1.00 2.02 -1.76 -2.43 112.91 111.84 1s5y h THR 41 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1s5y h THR 41 Cb 0.78 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1s5y h THR 41 CO 0.05 0.00 0.16 1.88 0.37 0.00 0.00 175.52 177.98 1s5y h TYR 42 N -0.37 0.00 -0.10 3.16 -1.99 -1.88 -0.03 116.97 115.76 1s5y h TYR 42 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1s5y h TYR 42 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1s5y h TYR 42 CO -0.59 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 178.76 1s5y n PHE 43 N -2.32 0.20 0.31 4.88 3.72 -0.93 -4.68 117.46 118.63 1s5y n PHE 43 Ca -0.01 -0.65 0.18 0.00 -0.05 0.00 0.00 57.45 56.92 1s5y n PHE 43 Cb 0.19 -0.10 1.00 0.00 -0.94 0.00 0.00 39.48 39.63 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 0.61 0.00 0.85 4.37 4.64 -0.78 -1.36 113.55 121.88 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 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1s5y h SER 44 CO 0.02 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1s5y n HIS 45 N -3.40 0.31 -3.00 4.77 1.44 -1.26 -4.76 115.22 109.32 1s5y n HIS 45 Ca -0.02 0.11 -0.34 0.00 -2.01 0.00 0.00 57.72 55.46 1s5y n HIS 45 Cb 0.13 -0.67 -0.06 0.00 0.12 0.00 0.00 29.99 29.50 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 -3.08 3.44 -0.03 -1.40 0.51 -0.52 -5.00 118.94 112.86 1s5y s TRP 46 Ca 0.09 1.42 -0.26 0.00 -2.12 0.00 0.00 56.10 55.23 1s5y s TRP 46 Cb 0.13 -2.68 -0.20 0.00 -0.81 0.00 0.00 33.47 29.91 1s5y s TRP 46 CO 0.42 0.09 1.20 -1.35 -0.51 0.00 0.00 176.95 176.81 1s5y h PRO 47 N 2.45 -0.04 -4.13 4.98 0.11 -1.87 -3.40 132.00 130.10 1s5y h PRO 47 Ca -0.48 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 64.93 1s5y h PRO 47 Cb 1.18 0.01 -0.33 0.00 0.11 0.00 0.00 31.00 31.97 1s5y h PRO 47 CO 0.64 0.47 -0.43 0.34 -0.21 0.00 0.00 178.00 178.81 1s5y s ASP 48 N -5.68 5.41 -1.00 -2.05 2.15 -1.26 -4.97 116.67 109.28 1s5y s ASP 48 Ca -0.16 -2.30 -0.01 0.00 0.43 0.00 0.00 52.55 50.51 1s5y s ASP 48 Cb 0.01 -1.89 0.31 0.00 -0.30 0.00 0.00 42.92 41.05 1s5y s ASP 48 CO 0.65 -0.52 1.60 0.52 -0.17 0.00 0.00 175.17 177.25 1s5y n VAL 49 N 4.29 5.48 -4.14 1.11 0.31 -1.26 -4.61 118.33 119.50 1s5y n VAL 49 Ca 0.00 -5.91 -0.09 0.00 -0.01 0.00 0.00 64.34 58.33 1s5y n VAL 49 Cb 0.40 -1.75 -0.10 0.00 -0.91 0.00 0.00 33.84 31.48 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 -3.72 0.44 0.15 2.52 -4.23 -1.26 -5.05 115.64 104.48 1s5y s THR 50 Ca 0.37 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1s5y s THR 50 Cb 0.14 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.33 1s5y s THR 50 CO -0.04 -0.82 1.15 -2.65 -0.54 0.00 0.00 174.62 171.71 1s5y n PRO 51 N -0.01 -0.25 0.35 3.99 -0.02 -1.26 -2.08 135.00 135.71 1s5y n PRO 51 Ca -0.11 1.13 -0.17 0.00 -2.02 0.00 0.00 63.50 62.33 1s5y n PRO 51 Cb 0.62 -1.67 -0.08 0.00 -0.02 0.00 0.00 33.50 32.34 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 -0.92 0.00 -1.23 0.00 -1.97 -3.45 103.07 95.50 1s5y h GLY 52 Ca 0.19 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1s5y h GLY 52 CO -0.72 -0.33 0.00 -1.26 0.00 0.00 0.00 176.54 174.23 1s5y n SER 53 N -5.42 0.00 0.26 0.19 2.88 -0.88 -4.52 113.62 106.12 1s5y n SER 53 Ca -0.13 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.57 1s5y n SER 53 Cb 0.37 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.37 1s5y n SER 53 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1s5y h PRO 54 N 0.00 0.00 0.19 -1.46 0.11 -1.90 -2.19 132.00 126.75 1s5y h PRO 54 Ca 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.80 1s5y h PRO 54 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1s5y h PRO 54 CO 0.00 0.02 -1.36 0.45 -0.21 0.00 0.00 178.00 176.91 1s5y h HIS 55 N 0.00 0.91 0.09 0.65 3.86 -1.89 -1.48 115.15 117.29 1s5y h HIS 55 Ca -0.00 -0.63 -0.00 0.00 -1.16 0.00 0.00 60.37 58.58 1s5y h HIS 55 Cb 0.65 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1s5y h HIS 55 CO 0.00 1.48 -0.04 0.82 0.86 0.00 0.00 177.93 181.05 1s5y h ILE 56 N 0.18 1.08 -0.73 2.45 1.08 -1.80 0.19 117.51 119.97 1s5y h ILE 56 Ca -0.21 -0.63 0.08 0.00 -0.39 0.00 0.00 64.86 63.72 1s5y h ILE 56 Cb 2.04 1.48 -0.05 0.00 -3.07 0.00 0.00 36.82 37.23 1s5y h ILE 56 CO 0.25 0.15 0.48 0.50 -0.69 0.00 0.00 178.15 178.85 1s5y h LYS 57 N -0.41 0.66 -0.02 2.37 3.64 -1.47 0.62 116.57 121.96 1s5y h LYS 57 Ca -0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1s5y h LYS 57 Cb 0.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1s5y h LYS 57 CO 0.02 0.44 -0.06 0.00 -2.27 0.00 0.00 179.45 177.58 1s5y h ALA 58 N 1.62 0.04 0.00 5.00 0.00 -0.89 -3.27 119.26 121.76 1s5y h ALA 58 Ca 0.33 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1s5y h ALA 58 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1s5y h ALA 58 CO -0.12 -0.11 -0.23 1.25 0.00 0.00 0.00 179.25 180.04 1s5y h HIS 59 N -0.49 0.00 -0.07 0.00 -0.00 -0.10 -2.49 115.15 112.01 1s5y h HIS 59 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 1s5y h HIS 59 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 1s5y h HIS 59 CO 0.13 0.23 -0.17 0.78 -0.00 0.00 0.00 177.93 178.91 1s5y h GLY 60 N 0.93 0.11 0.97 5.26 0.00 -0.94 -1.37 103.07 108.03 1s5y h GLY 60 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1s5y h GLY 60 CO 0.03 0.06 0.05 1.70 0.00 0.00 0.00 176.54 178.39 1s5y h LYS 61 N 0.10 0.77 -0.37 4.80 3.64 -1.50 -2.37 116.57 121.64 1s5y h LYS 61 Ca 0.02 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 1s5y h LYS 61 Cb 0.36 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1s5y h LYS 61 CO 0.02 0.80 -0.11 0.87 -2.27 0.00 0.00 179.45 178.76 1s5y h LYS 62 N 0.63 0.72 -0.56 1.90 1.57 -1.40 -1.37 116.57 118.06 1s5y h LYS 62 Ca 0.14 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1s5y h LYS 62 Cb 0.42 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1s5y h LYS 62 CO 0.01 0.88 0.36 0.28 -0.57 0.00 0.00 179.45 180.41 1s5y h VAL 63 N 0.52 1.15 0.00 0.50 2.07 -1.20 -0.29 116.25 119.00 1s5y h VAL 63 Ca 0.09 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1s5y h VAL 63 Cb 0.63 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1s5y h VAL 63 CO 0.04 0.15 -0.27 0.24 0.02 0.00 0.00 177.57 177.75 1s5y h MET 64 N 0.75 0.00 -0.22 1.57 2.86 -1.38 -1.09 114.93 117.43 1s5y h MET 64 Ca 0.20 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1s5y h MET 64 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1s5y h MET 64 CO -0.04 0.27 -0.27 0.78 1.06 0.00 0.00 176.91 178.71 1s5y h GLY 65 N 1.67 0.45 1.05 8.32 0.00 -0.02 0.58 103.07 115.12 1s5y h GLY 65 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1s5y h GLY 65 CO 0.04 0.34 -0.06 -1.33 0.00 0.00 0.00 176.54 175.52 1s5y h GLY 66 N 1.03 1.03 1.01 4.60 0.00 0.14 -1.29 103.07 109.59 1s5y h GLY 66 Ca 0.05 -0.81 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 1s5y h GLY 66 CO 0.05 0.74 0.17 -2.22 0.00 0.00 0.00 176.54 175.28 1s5y h ILE 67 N 0.82 1.25 -0.71 2.60 1.08 -0.72 0.14 117.51 121.96 1s5y h ILE 67 Ca 0.14 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1s5y h ILE 67 Cb 0.61 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 1s5y h ILE 67 CO 0.04 0.32 0.47 0.00 -0.69 0.00 0.00 178.15 178.29 1s5y h ALA 68 N 1.05 1.50 -0.21 1.87 0.00 -0.66 0.13 119.26 122.93 1s5y h ALA 68 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1s5y h ALA 68 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s5y h ALA 68 CO -0.00 0.47 0.03 1.25 0.00 0.00 0.00 179.25 180.99 1s5y h LEU 69 N 0.96 0.34 -1.10 0.00 5.85 -0.57 -2.62 115.31 118.18 1s5y h LEU 69 Ca 0.26 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1s5y h LEU 69 Cb -0.11 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1s5y h LEU 69 CO -0.06 0.52 0.61 0.00 -0.34 0.00 0.00 178.44 179.18 1s5y h ALA 70 N 0.83 1.45 -0.83 1.25 0.00 0.13 -1.08 119.26 121.01 1s5y h ALA 70 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s5y h ALA 70 Cb 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1s5y h ALA 70 CO 0.01 0.42 0.47 0.28 0.00 0.00 0.00 179.25 180.43 1s5y h VAL 71 N 1.11 1.24 -0.22 0.00 2.07 -0.80 -0.40 116.25 119.24 1s5y h VAL 71 Ca 0.40 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1s5y h VAL 71 Cb 0.14 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1s5y h VAL 71 CO -0.14 0.26 -0.21 0.28 0.02 0.00 0.00 177.57 177.78 1s5y h SER 72 N 1.16 0.56 -0.39 0.57 0.02 -0.93 -3.06 113.55 111.46 1s5y h SER 72 Ca 0.30 -0.47 -0.12 0.00 -0.84 0.00 0.00 61.79 60.66 1s5y h SER 72 Cb -0.00 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.31 1s5y h SER 72 CO -0.05 0.92 0.15 0.29 -1.14 0.00 0.00 176.83 176.99 1s5y n LYS 73 N -4.42 2.45 -0.30 3.45 4.76 -0.50 -4.56 118.16 119.02 1s5y n LYS 73 Ca -0.05 -1.61 0.19 0.00 -2.87 0.00 0.00 58.31 53.97 1s5y n LYS 73 Cb 0.41 -1.78 0.46 0.00 -1.84 0.00 0.00 35.03 32.28 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 1.41 0.63 0.00 -0.18 2.10 -0.97 0.13 117.51 120.63 1s5y h ILE 74 Ca 0.14 -0.17 -0.00 0.00 1.08 0.00 0.00 64.86 65.91 1s5y h ILE 74 Cb 1.58 0.08 -0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1s5y h ILE 74 CO 0.39 0.09 -0.02 0.44 -1.08 0.00 0.00 178.15 177.98 1s5y h ASP 75 N 0.50 0.00 -1.60 2.19 3.32 -1.87 -3.34 116.42 115.61 1s5y h ASP 75 Ca 0.55 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.30 1s5y h ASP 75 Cb 1.23 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.52 1s5y h ASP 75 CO -0.28 0.02 -0.65 -0.62 -1.72 0.00 0.00 179.24 175.99 1s5y s ASP 76 N -5.54 -0.00 0.15 6.45 -1.08 0.43 -5.01 116.67 112.07 1s5y s ASP 76 Ca -0.02 -1.83 -0.09 0.00 -0.52 0.00 0.00 52.55 50.08 1s5y s ASP 76 Cb 0.12 0.98 -0.02 0.00 -1.46 0.00 0.00 42.92 42.53 1s5y s ASP 76 CO 0.49 -0.16 1.45 -0.07 0.52 0.00 0.00 175.17 177.40 1s5y h LEU 77 N 6.11 0.90 -0.48 -1.34 3.38 -1.65 -2.34 115.31 119.89 1s5y h LEU 77 Ca 0.10 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1s5y h LEU 77 Cb 1.06 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1s5y h LEU 77 CO 0.16 1.24 0.09 0.50 0.09 0.00 0.00 178.44 180.53 1s5y h LYS 78 N 0.63 0.22 0.00 1.13 3.64 -1.90 -0.45 116.57 119.85 1s5y h LYS 78 Ca 0.02 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 1s5y h LYS 78 Cb 1.10 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1s5y h LYS 78 CO 0.11 0.15 -1.23 1.79 -2.27 0.00 0.00 179.45 178.00 1s5y h THR 79 N 0.23 1.37 0.00 1.00 1.35 -1.96 -2.79 112.91 112.11 1s5y h THR 79 Ca 0.24 -3.11 -0.06 0.00 -0.55 0.00 0.00 66.41 62.93 1s5y h THR 79 Cb 0.32 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 1s5y h THR 79 CO -0.31 0.78 -0.31 1.23 -0.25 0.00 0.00 175.52 176.66 1s5y h GLY 80 N 3.21 0.00 -1.48 5.82 0.00 -1.09 -3.12 103.07 106.41 1s5y h GLY 80 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1s5y h GLY 80 CO 0.11 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.69 1s5y n LEU 81 N -4.17 3.00 -0.12 3.11 4.77 -0.21 -4.71 117.00 118.68 1s5y n LEU 81 Ca -0.02 -1.88 -0.06 0.00 -0.03 0.00 0.00 56.01 54.02 1s5y n LEU 81 Cb 0.35 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1s5y n LEU 81 CO 0.38 0.73 0.69 -0.03 -1.33 0.00 0.00 177.39 177.84 1s5y h MET 82 N 2.46 -0.16 -0.65 3.23 4.05 -1.43 -1.05 114.93 121.39 1s5y h MET 82 Ca 0.00 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1s5y h MET 82 Cb 0.75 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.54 1s5y h MET 82 CO 0.00 -0.11 0.39 1.05 0.23 0.00 0.00 176.91 178.47 1s5y h GLU 83 N -0.17 0.73 0.00 0.39 -0.00 -1.84 0.01 114.58 113.70 1s5y h GLU 83 Ca 0.19 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.36 59.44 1s5y h GLU 83 Cb 0.47 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.05 1s5y h GLU 83 CO -0.50 0.48 -0.30 -0.07 -0.00 0.00 0.00 179.01 178.62 1s5y h LEU 84 N 0.75 0.00 -0.05 3.06 3.38 -1.77 -0.47 115.31 120.20 1s5y h LEU 84 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1s5y h LEU 84 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1s5y h LEU 84 CO -0.13 0.30 -0.03 -1.28 0.09 0.00 0.00 178.44 177.39 1s5y h SER 85 N 0.00 0.11 -0.43 -0.43 0.87 -0.14 -1.54 113.55 111.99 1s5y h SER 85 Ca -0.00 -0.44 0.09 0.00 -1.23 0.00 0.00 61.79 60.21 1s5y h SER 85 Cb 0.54 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.39 1s5y h SER 85 CO 0.04 0.52 -0.11 -0.08 -0.53 0.00 0.00 176.83 176.68 1s5y h GLU 86 N -0.30 0.00 -0.57 2.24 4.57 -0.64 -0.72 114.58 119.16 1s5y h GLU 86 Ca 0.01 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1s5y h GLU 86 Cb 0.48 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1s5y h GLU 86 CO 0.01 0.00 0.09 0.37 -1.18 0.00 0.00 179.01 178.30 1s5y h GLN 87 N 0.00 0.92 0.05 1.92 4.15 -0.98 -1.50 115.11 119.67 1s5y h GLN 87 Ca 0.21 -0.22 -0.24 0.00 0.77 0.00 0.00 58.65 59.17 1s5y h GLN 87 Cb 0.32 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1s5y h GLN 87 CO -0.45 0.85 -1.05 0.45 -1.93 0.00 0.00 178.83 176.71 1s5y h HIS 88 N 0.87 0.44 0.00 3.99 3.86 -0.80 -1.56 115.15 121.95 1s5y h HIS 88 Ca 0.18 -0.28 -0.26 0.00 -1.16 0.00 0.00 60.37 58.85 1s5y h HIS 88 Cb 0.39 -0.03 0.02 0.00 1.06 0.00 0.00 27.41 28.84 1s5y h HIS 88 CO 0.02 1.15 -1.04 0.00 0.86 0.00 0.00 177.93 178.92 1s5y h ALA 89 N 0.75 0.15 0.00 2.45 0.00 -1.07 0.47 119.26 122.01 1s5y h ALA 89 Ca -0.09 -0.70 -0.30 0.00 0.00 0.00 0.00 54.91 53.82 1s5y h ALA 89 Cb 1.73 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1s5y h ALA 89 CO 0.17 0.70 -2.11 0.66 0.00 0.00 0.00 179.25 178.67 1s5y n TYR 90 N -3.84 0.00 0.03 0.00 4.01 -0.57 -3.78 117.16 113.00 1s5y n TYR 90 Ca -0.11 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.45 1s5y n TYR 90 Cb 0.88 -0.74 -0.13 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.20 0.38 0.00 -0.72 3.64 -1.63 -3.37 116.57 114.67 1s5y h LYS 91 Ca -0.46 -0.50 -0.14 0.00 -1.27 0.00 0.00 60.65 58.29 1s5y h LYS 91 Cb 1.61 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.56 1s5y h LYS 91 CO -0.14 1.18 -2.09 1.28 -2.27 0.00 0.00 179.45 177.41 1s5y n LEU 92 N -4.15 0.00 -3.83 5.20 4.77 -0.61 -5.01 117.00 113.37 1s5y n LEU 92 Ca -0.12 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 1s5y n LEU 92 Cb 0.75 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1s5y n LEU 92 CO 0.48 0.19 -0.16 0.54 -1.33 0.00 0.00 177.39 177.12 1s5y n ARG 93 N -2.42 -3.58 -2.71 3.23 1.74 0.13 -4.91 116.66 108.14 1s5y n ARG 93 Ca -0.15 0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 56.99 1s5y n ARG 93 Cb 0.78 -4.70 -0.03 0.00 -1.02 0.00 0.00 32.46 27.49 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 -3.81 4.79 0.14 1.55 1.01 0.88 -4.97 120.40 119.99 1s5y s VAL 94 Ca 0.06 1.99 -0.34 0.00 0.00 0.00 0.00 61.98 63.69 1s5y s VAL 94 Cb -0.02 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.93 1s5y s VAL 94 CO 0.86 -0.01 1.58 -0.67 0.00 0.00 0.00 175.10 176.87 1s5y n ASP 95 N 5.14 3.02 0.26 3.32 -0.08 -1.26 -4.76 116.55 122.20 1s5y n ASP 95 Ca 0.08 1.08 0.12 0.00 -1.51 0.00 0.00 54.79 54.56 1s5y n ASP 95 Cb 0.48 -1.41 0.70 0.00 2.34 0.00 0.00 41.12 43.24 1s5y n ASP 95 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1s5y h PRO 96 N 6.07 0.00 -0.00 -0.67 0.13 -1.97 -3.03 132.00 132.53 1s5y h PRO 96 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s5y h PRO 96 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1s5y h PRO 96 CO 0.89 0.13 0.01 0.00 -0.23 0.00 0.00 178.00 178.79 1s5y h ALA 97 N 1.87 1.25 0.00 -0.56 0.00 -2.02 -2.68 119.26 117.12 1s5y h ALA 97 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s5y h ALA 97 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1s5y h ALA 97 CO 0.02 -0.01 0.00 -0.91 0.00 0.00 0.00 179.25 178.34 1s5y h ASN 98 N 0.00 0.00 -0.98 0.00 4.21 -1.91 -3.17 115.58 113.72 1s5y h ASN 98 Ca 0.00 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.55 1s5y h ASN 98 Cb 0.02 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.16 1s5y h ASN 98 CO -0.00 0.00 0.64 -0.26 -1.29 0.00 0.00 177.43 176.52 1s5y h PHE 99 N 0.00 1.21 -0.58 1.19 0.04 -1.71 -1.42 116.94 115.67 1s5y h PHE 99 Ca 0.00 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.88 1s5y h PHE 99 Cb 0.65 -0.40 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 1s5y h PHE 99 CO 0.00 0.69 0.24 0.87 -0.60 0.00 0.00 178.31 179.51 1s5y h LYS 100 N 1.24 0.42 0.69 1.51 1.57 -1.77 -1.24 116.57 119.00 1s5y h LYS 100 Ca 0.39 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1s5y h LYS 100 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1s5y h LYS 100 CO -0.13 0.28 -0.36 0.82 -0.57 0.00 0.00 179.45 179.49 1s5y h ILE 101 N 0.44 0.26 -0.92 1.86 2.04 -1.43 -1.66 117.51 118.09 1s5y h ILE 101 Ca 0.28 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 1s5y h ILE 101 Cb 0.30 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1s5y h ILE 101 CO -0.26 0.00 0.59 0.25 0.00 0.00 0.00 178.15 178.73 1s5y h LEU 102 N -0.97 0.95 -0.85 1.44 5.85 -1.24 -0.26 115.31 120.23 1s5y h LEU 102 Ca -0.09 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1s5y h LEU 102 Cb 0.76 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1s5y h LEU 102 CO 0.13 0.62 0.53 0.78 -0.34 0.00 0.00 178.44 180.16 1s5y h ASN 103 N 1.09 0.83 -0.29 1.25 2.35 -1.08 0.52 115.58 120.25 1s5y h ASN 103 Ca 0.39 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1s5y h ASN 103 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1s5y h ASN 103 CO -0.16 0.53 0.13 -0.74 -1.65 0.00 0.00 177.43 175.54 1s5y h HIS 104 N 0.96 0.44 -0.81 1.19 2.76 -0.12 -2.14 115.15 117.42 1s5y h HIS 104 Ca 0.37 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.50 1s5y h HIS 104 Cb 0.17 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 1s5y h HIS 104 CO -0.03 0.42 0.44 0.00 -1.30 0.00 0.00 177.93 177.46 1s5y h ILE 106 N 1.14 1.22 -0.94 0.00 2.04 -0.73 -0.73 117.51 119.51 1s5y h ILE 106 Ca 0.29 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1s5y h ILE 106 Cb 0.03 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1s5y h ILE 106 CO -0.05 0.27 0.62 -0.07 0.00 0.00 0.00 178.15 178.93 1s5y h LEU 107 N 0.72 1.06 -0.01 1.44 3.38 -0.94 0.78 115.31 121.75 1s5y h LEU 107 Ca 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1s5y h LEU 107 Cb 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1s5y h LEU 107 CO -0.01 0.76 0.00 0.58 0.09 0.00 0.00 178.44 179.86 1s5y h VAL 108 N 1.25 1.14 -0.14 1.22 2.07 -0.97 -1.70 116.25 119.12 1s5y h VAL 108 Ca 0.36 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1s5y h VAL 108 Cb -0.10 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1s5y h VAL 108 CO -0.09 0.11 -0.05 0.58 0.02 0.00 0.00 177.57 178.14 1s5y h VAL 109 N -0.17 0.82 -0.60 2.57 2.07 -0.58 -0.01 116.25 120.36 1s5y h VAL 109 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1s5y h VAL 109 Cb 0.18 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1s5y h VAL 109 CO -0.00 0.00 0.40 0.40 0.02 0.00 0.00 177.57 178.39 1s5y h ILE 110 N -0.03 0.91 -0.23 4.57 2.04 -0.82 0.19 117.51 124.14 1s5y h ILE 110 Ca 0.07 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 1s5y h ILE 110 Cb 0.13 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1s5y h ILE 110 CO -0.16 0.08 -0.44 -1.28 0.00 0.00 0.00 178.15 176.35 1s5y h SER 111 N 0.44 0.62 -0.41 1.72 0.87 -0.29 0.85 113.55 117.34 1s5y h SER 111 Ca 0.27 -0.29 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 1s5y h SER 111 Cb 0.50 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1s5y h SER 111 CO -0.08 0.97 -0.17 0.74 -0.53 0.00 0.00 176.83 177.77 1s5y h THR 112 N 0.47 1.27 0.00 2.23 2.02 0.83 -3.15 112.91 116.58 1s5y h THR 112 Ca 0.03 -1.30 -0.27 0.00 0.77 0.00 0.00 66.41 65.64 1s5y h THR 112 Cb 0.96 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 1s5y h THR 112 CO 0.09 0.45 -1.95 0.23 0.37 0.00 0.00 175.52 174.71 1s5y n MET 113 N -4.13 0.66 -3.12 6.66 2.81 -0.43 -4.61 117.12 114.95 1s5y n MET 113 Ca 0.01 0.12 -0.24 0.00 -1.81 0.00 0.00 57.70 55.78 1s5y n MET 113 Cb 0.42 -1.66 -0.05 0.00 -0.71 0.00 0.00 33.22 31.22 1s5y n MET 113 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1s5y n PHE 114 N -2.83 2.20 0.19 2.03 3.72 0.28 -4.90 117.46 118.15 1s5y n PHE 114 Ca -0.21 -3.91 0.06 0.00 -0.05 0.00 0.00 57.45 53.34 1s5y n PHE 114 Cb 1.01 -0.46 0.56 0.00 -0.94 0.00 0.00 39.48 39.65 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 3.26 0.14 0.06 -1.08 0.13 -1.73 0.74 132.00 133.53 1s5y h PRO 115 Ca 0.12 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 65.00 1s5y h PRO 115 Cb 0.72 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1s5y h PRO 115 CO 0.67 0.13 -1.11 -0.22 -0.23 0.00 0.00 178.00 177.25 1s5y h LYS 116 N 0.14 0.13 0.01 0.86 3.64 -1.90 -3.35 116.57 116.10 1s5y h LYS 116 Ca 0.04 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 1s5y h LYS 116 Cb 0.05 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1s5y h LYS 116 CO -0.00 1.10 -0.36 0.93 -2.27 0.00 0.00 179.45 178.85 1s5y h GLU 117 N 0.04 0.23 -4.18 1.90 3.07 -1.79 -3.40 114.58 110.44 1s5y h GLU 117 Ca -0.07 -0.26 -0.58 0.00 -0.50 0.00 0.00 59.36 57.96 1s5y h GLU 117 Cb 1.85 0.08 0.04 0.00 -0.84 0.00 0.00 28.75 29.88 1s5y h GLU 117 CO 0.16 0.99 2.39 0.34 -1.40 0.00 0.00 179.01 181.49 1s5y n PHE 118 N -4.42 1.75 -1.51 4.33 7.35 0.19 -4.85 117.46 120.31 1s5y n PHE 118 Ca -0.10 -1.86 -0.30 0.00 -0.76 0.00 0.00 57.45 54.43 1s5y n PHE 118 Cb 0.56 -1.70 0.09 0.00 0.35 0.00 0.00 39.48 38.78 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 4.54 3.15 0.34 -2.13 -4.23 -1.26 -4.77 115.64 111.27 1s5y s THR 119 Ca 0.52 0.37 0.05 0.00 -1.18 0.00 0.00 61.69 61.46 1s5y s THR 119 Cb 0.13 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 71.19 1s5y s THR 119 CO 0.07 -0.49 1.89 -0.65 -0.54 0.00 0.00 174.62 174.91 1s5y h PRO 120 N -1.09 0.79 -0.62 3.99 0.10 -1.99 0.53 132.00 133.71 1s5y h PRO 120 Ca -0.47 -0.05 -0.04 0.00 0.10 0.00 0.00 66.00 65.54 1s5y h PRO 120 Cb 1.26 -0.18 -0.03 0.00 0.10 0.00 0.00 31.00 32.16 1s5y h PRO 120 CO 0.58 0.53 0.23 0.93 0.10 0.00 0.00 178.00 180.37 1s5y h GLU 121 N 0.82 0.95 -0.40 1.05 3.07 -1.97 -1.45 114.58 116.64 1s5y h GLU 121 Ca 0.41 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 1s5y h GLU 121 Cb 0.48 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1s5y h GLU 121 CO -0.18 0.82 -0.04 0.00 -1.40 0.00 0.00 179.01 178.20 1s5y h ALA 122 N 1.09 0.55 -0.41 3.43 0.00 -1.67 -3.15 119.26 119.10 1s5y h ALA 122 Ca 0.21 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1s5y h ALA 122 Cb 0.24 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1s5y h ALA 122 CO -0.01 0.37 -0.09 1.25 0.00 0.00 0.00 179.25 180.77 1s5y h HIS 123 N 0.56 -0.20 -0.52 0.00 6.17 -0.51 0.10 115.15 120.76 1s5y h HIS 123 Ca 0.11 0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.26 1s5y h HIS 123 Cb 0.54 0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.59 1s5y h HIS 123 CO 0.04 -0.17 0.30 0.28 0.71 0.00 0.00 177.93 179.09 1s5y h VAL 124 N 0.01 1.02 -0.14 5.26 2.07 -1.24 -0.34 116.25 122.88 1s5y h VAL 124 Ca 0.20 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1s5y h VAL 124 Cb 0.30 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1s5y h VAL 124 CO -0.41 0.11 -0.59 0.28 0.02 0.00 0.00 177.57 176.97 1s5y h SER 125 N 0.58 0.52 0.63 0.57 0.02 -1.45 -1.95 113.55 112.48 1s5y h SER 125 Ca 0.22 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1s5y h SER 125 Cb 0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1s5y h SER 125 CO -0.12 0.99 -0.61 0.25 -1.14 0.00 0.00 176.83 176.20 1s5y h LEU 126 N 0.35 0.00 -0.20 5.07 5.85 -0.44 -0.87 115.31 125.07 1s5y h LEU 126 Ca -0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 1s5y h LEU 126 Cb 1.13 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.17 1s5y h LEU 126 CO 0.11 0.61 -0.81 -0.78 -0.34 0.00 0.00 178.44 177.23 1s5y h ASP 127 N 0.00 0.81 -0.53 1.25 3.58 -1.00 0.62 116.42 121.15 1s5y h ASP 127 Ca -0.01 -0.55 -0.10 0.00 0.42 0.00 0.00 57.03 56.79 1s5y h ASP 127 Cb 1.10 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 1s5y h ASP 127 CO 0.08 1.34 -0.08 0.11 -2.88 0.00 0.00 179.24 177.81 1s5y h LYS 128 N 0.44 0.99 -0.01 0.28 1.57 -1.17 -0.89 116.57 117.77 1s5y h LYS 128 Ca -0.06 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1s5y h LYS 128 Cb 1.43 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.67 1s5y h LYS 128 CO 0.16 1.03 0.00 0.35 -0.57 0.00 0.00 179.45 180.42 1s5y h PHE 129 N 0.86 0.02 -0.12 -1.35 3.57 -1.07 -1.78 116.94 117.08 1s5y h PHE 129 Ca 0.14 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1s5y h PHE 129 Cb 0.63 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1s5y h PHE 129 CO 0.05 0.18 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.07 1s5y h LEU 130 N -0.14 0.19 -0.47 0.59 3.38 -0.77 -0.67 115.31 117.41 1s5y h LEU 130 Ca 0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1s5y h LEU 130 Cb 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1s5y h LEU 130 CO -0.00 0.37 -0.23 0.28 0.09 0.00 0.00 178.44 178.94 1s5y h SER 131 N 0.19 1.02 -0.61 -0.43 0.02 -0.99 -1.02 113.55 111.72 1s5y h SER 131 Ca 0.04 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1s5y h SER 131 Cb 0.40 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1s5y h SER 131 CO 0.03 1.20 0.26 1.23 -1.14 0.00 0.00 176.83 178.40 1s5y h GLY 132 N 0.84 1.00 1.00 -3.77 0.00 -0.64 0.22 103.07 101.72 1s5y h GLY 132 Ca 0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1s5y h GLY 132 CO 0.07 0.49 0.05 -2.08 0.00 0.00 0.00 176.54 175.07 1s5y h VAL 133 N 0.92 1.26 -0.62 4.60 2.07 -0.80 0.15 116.25 123.82 1s5y h VAL 133 Ca 0.22 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1s5y h VAL 133 Cb 0.17 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1s5y h VAL 133 CO -0.02 0.36 0.20 0.00 0.02 0.00 0.00 177.57 178.12 1s5y h ALA 134 N 0.96 1.17 -0.24 1.67 0.00 -0.54 -0.42 119.26 121.87 1s5y h ALA 134 Ca 0.15 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1s5y h ALA 134 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s5y h ALA 134 CO 0.02 0.58 -0.48 1.25 0.00 0.00 0.00 179.25 180.62 1s5y h LEU 135 N 0.92 0.68 -0.36 0.00 5.85 -0.20 -2.55 115.31 119.64 1s5y h LEU 135 Ca 0.21 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1s5y h LEU 135 Cb 0.26 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1s5y h LEU 135 CO -0.01 1.05 -0.17 0.00 -0.34 0.00 0.00 178.44 178.97 1s5y h ALA 136 N 0.97 0.51 0.00 1.25 0.00 -0.25 -2.85 119.26 118.90 1s5y h ALA 136 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1s5y h ALA 136 Cb 1.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1s5y h ALA 136 CO 0.09 0.44 -0.05 -0.07 0.00 0.00 0.00 179.25 179.66 1s5y h LEU 137 N 0.55 0.00 0.00 0.00 4.07 -0.99 -2.16 115.31 116.79 1s5y h LEU 137 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1s5y h LEU 137 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1s5y h LEU 137 CO 0.05 0.05 -0.49 0.00 -1.08 0.00 0.00 178.44 176.97 1s5y n ALA 138 N -2.23 3.35 -0.29 1.53 0.00 -0.97 -4.45 120.51 117.45 1s5y n ALA 138 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.09 1s5y n ALA 138 Cb 0.17 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.49 1s5y n ALA 138 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s5y n GLU 139 N -1.61 -0.18 -0.27 0.00 4.07 -0.81 -1.08 120.64 120.76 1s5y n GLU 139 Ca 0.05 1.15 0.03 0.00 -0.06 0.00 0.00 57.16 58.34 1s5y n GLU 139 Cb 0.35 -1.71 0.14 0.00 -0.06 0.00 0.00 31.44 30.17 1s5y n GLU 139 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1s5y n ARG 140 N -5.10 2.19 0.04 5.31 1.74 -1.26 -4.37 116.66 115.21 1s5y n ARG 140 Ca 0.08 -1.13 -0.09 0.00 -0.77 0.00 0.00 57.85 55.94 1s5y n ARG 140 Cb 0.30 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.02 1s5y n ARG 140 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1s5y h TYR 141 N 1.55 0.05 0.00 -1.55 0.05 -1.41 -3.47 116.97 112.19 1s5y h TYR 141 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1s5y h TYR 141 Cb 0.82 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 1s5y h TYR 141 CO 0.34 1.04 0.00 2.89 -1.05 0.00 0.00 178.16 181.38