#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3frt h LYS 13 N 0.00 0.00 -0.76 -0.52 3.11 -1.98 -3.30 116.57 113.12 3frt h LYS 13 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 3frt h LYS 13 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 3frt h LYS 13 CO 0.00 0.78 0.37 1.05 -2.81 0.00 0.00 179.45 178.84 3frt h GLU 14 N 0.00 1.10 0.30 1.90 4.11 -2.02 -3.21 114.58 116.76 3frt h GLU 14 Ca -0.01 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.24 3frt h GLU 14 Cb 1.45 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3frt h GLU 14 CO 0.10 0.86 -0.15 -0.07 0.07 0.00 0.00 179.01 179.82 3frt h LEU 15 N 1.07 -0.35 -0.53 3.06 -0.00 -2.02 -3.16 115.31 113.39 3frt h LEU 15 Ca 0.26 -0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.22 3frt h LEU 15 Cb 0.12 0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 40.77 3frt h LEU 15 CO -0.03 -0.23 -0.47 0.58 -0.00 0.00 0.00 178.44 178.29 3frt h VAL 16 N -0.43 0.07 -0.42 1.22 2.07 -1.67 -0.83 116.25 116.26 3frt h VAL 16 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3frt h VAL 16 Cb 0.33 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 3frt h VAL 16 CO 0.07 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.31 3frt h ASN 17 N -0.27 -0.45 0.45 0.57 2.35 -1.56 0.17 115.58 116.83 3frt h ASN 17 Ca 0.15 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3frt h ASN 17 Cb 0.57 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 3frt h ASN 17 CO -0.66 -0.16 -0.36 -0.08 -1.65 0.00 0.00 177.43 174.51 3frt h GLU 18 N -0.03 -0.78 -0.23 0.81 4.81 -1.45 -2.57 114.58 115.14 3frt h GLU 18 Ca 0.20 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3frt h GLU 18 Cb 0.34 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 3frt h GLU 18 CO -0.44 -0.52 -0.41 -1.49 -0.73 0.00 0.00 179.01 175.42 3frt h TRP 19 N -0.81 -1.17 -0.86 0.92 6.55 -0.42 0.24 115.95 120.40 3frt h TRP 19 Ca -0.04 0.05 0.09 0.00 0.95 0.00 0.00 58.89 59.94 3frt h TRP 19 Cb 0.70 0.55 -0.11 0.00 -0.86 0.00 0.00 29.16 29.44 3frt h TRP 19 CO -0.16 -0.45 -0.47 0.43 -1.05 0.00 0.00 178.44 176.73 3frt n SER 20 N -5.43 -0.85 -0.11 -3.49 7.64 0.51 -0.04 113.62 111.86 3frt n SER 20 Ca -0.03 1.52 -0.05 0.00 1.01 0.00 0.00 58.87 61.32 3frt n SER 20 Cb 0.35 -0.22 0.03 0.00 -1.01 0.00 0.00 64.21 63.36 3frt n SER 20 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3frt h LEU 21 N 0.00 -0.10 0.29 -3.43 3.38 -0.24 0.54 115.31 115.74 3frt h LEU 21 Ca 0.17 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3frt h LEU 21 Cb 0.38 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3frt h LEU 21 CO -0.81 -0.02 -0.31 0.11 0.09 0.00 0.00 178.44 177.50 3frt h LYS 22 N 0.13 -0.61 -0.37 1.13 1.57 0.10 0.25 116.57 118.77 3frt h LYS 22 Ca 0.19 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 3frt h LYS 22 Cb 0.25 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 3frt h LYS 22 CO -0.29 -0.41 -0.19 0.82 -0.57 0.00 0.00 179.45 178.81 3frt h ILE 23 N -0.64 0.45 -0.83 1.86 1.08 0.18 0.19 117.51 119.80 3frt h ILE 23 Ca -0.01 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 3frt h ILE 23 Cb 0.59 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 3frt h ILE 23 CO -0.08 0.00 0.55 -0.09 -0.69 0.00 0.00 178.15 177.84 3frt h ARG 24 N -0.12 0.98 -0.46 2.37 9.65 0.37 -1.16 114.38 126.01 3frt h ARG 24 Ca 0.18 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.92 3frt h ARG 24 Cb 0.41 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 3frt h ARG 24 CO -0.45 0.65 -0.04 -0.22 2.80 0.00 0.00 179.97 182.71 3frt h LYS 25 N 1.01 0.83 -0.56 0.20 3.64 0.24 -1.56 116.57 120.38 3frt h LYS 25 Ca 0.34 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3frt h LYS 25 Cb 0.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3frt h LYS 25 CO -0.10 0.91 0.33 0.93 -2.27 0.00 0.00 179.45 179.25 3frt h GLU 26 N 0.68 0.76 -0.96 1.90 4.39 -0.65 -2.46 114.58 118.24 3frt h GLU 26 Ca 0.12 -0.07 0.15 0.00 0.34 0.00 0.00 59.36 59.91 3frt h GLU 26 Cb 0.56 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 3frt h GLU 26 CO 0.03 0.54 0.61 0.52 -1.16 0.00 0.00 179.01 179.55 3frt h MET 27 N 0.78 0.78 -0.38 2.33 2.86 -0.18 0.42 114.93 121.53 3frt h MET 27 Ca 0.20 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3frt h MET 27 Cb -0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3frt h MET 27 CO -0.04 0.52 -0.08 0.00 1.06 0.00 0.00 176.91 178.37 3frt h ARG 28 N 0.80 0.72 -0.53 1.72 3.08 -1.21 0.49 114.38 119.46 3frt h ARG 28 Ca 0.50 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 60.32 3frt h ARG 28 Cb 0.71 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 3frt h ARG 28 CO -0.27 0.86 0.28 0.28 -1.07 0.00 0.00 179.97 180.06 3frt h VAL 29 N 0.53 0.98 -0.35 2.04 2.07 -1.00 0.13 116.25 120.66 3frt h VAL 29 Ca 0.10 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3frt h VAL 29 Cb 0.59 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3frt h VAL 29 CO 0.03 0.10 0.21 0.58 0.02 0.00 0.00 177.57 178.51 3frt h VAL 30 N 0.55 1.12 -0.29 2.57 2.07 -0.33 0.11 116.25 122.04 3frt h VAL 30 Ca 0.23 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3frt h VAL 30 Cb 0.11 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3frt h VAL 30 CO -0.14 0.12 0.10 0.44 0.02 0.00 0.00 177.57 178.10 3frt h ASP 31 N 0.45 0.10 -0.39 0.57 3.32 -0.40 -2.13 116.42 117.94 3frt h ASP 31 Ca 0.12 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.28 3frt h ASP 31 Cb 0.01 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 3frt h ASP 31 CO -0.02 0.09 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.47 3frt h ARG 32 N 0.22 0.07 -0.59 3.56 1.12 -0.10 0.65 114.38 119.31 3frt h ARG 32 Ca 0.13 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.95 3frt h ARG 32 Cb 0.10 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.02 3frt h ARG 32 CO -0.14 0.05 0.18 1.96 -3.11 0.00 0.00 179.97 178.91 3frt h GLN 33 N 0.08 0.89 -0.29 0.20 4.20 -0.53 -1.72 115.11 117.93 3frt h GLN 33 Ca 0.19 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3frt h GLN 33 Cb 0.27 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3frt h GLN 33 CO -0.34 0.77 -0.04 0.82 -0.67 0.00 0.00 178.83 179.38 3frt h ILE 34 N 0.87 1.27 -0.71 2.54 2.04 -0.83 -2.05 117.51 120.64 3frt h ILE 34 Ca 0.20 -1.03 0.12 0.00 1.00 0.00 0.00 64.86 65.14 3frt h ILE 34 Cb 0.26 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3frt h ILE 34 CO -0.01 0.33 0.47 -0.09 0.00 0.00 0.00 178.15 178.85 3frt h ARG 35 N 0.32 0.47 0.21 2.37 2.43 -0.02 -1.07 114.38 119.09 3frt h ARG 35 Ca 0.08 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3frt h ARG 35 Cb 0.50 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3frt h ARG 35 CO 0.02 0.31 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.25 3frt h ASP 36 N 0.48 -0.24 -0.88 -3.80 3.32 -1.27 -2.14 116.42 111.89 3frt h ASP 36 Ca 0.34 -0.22 0.23 0.00 0.02 0.00 0.00 57.03 57.40 3frt h ASP 36 Cb 0.65 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.12 3frt h ASP 36 CO -0.11 0.29 0.28 0.40 -1.72 0.00 0.00 179.24 178.38 3frt h ILE 37 N -0.97 0.35 -0.39 0.35 2.04 -0.69 0.22 117.51 118.42 3frt h ILE 37 Ca -0.03 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3frt h ILE 37 Cb 0.45 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3frt h ILE 37 CO 0.05 0.05 -0.06 1.56 0.00 0.00 0.00 178.15 179.74 3frt h GLN 38 N 0.25 0.72 -0.31 2.37 1.08 -1.30 -0.62 115.11 117.30 3frt h GLN 38 Ca 0.56 -0.26 0.05 0.00 -1.45 0.00 0.00 58.65 57.55 3frt h GLN 38 Cb 1.12 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 3frt h GLN 38 CO -0.62 0.85 0.21 -0.09 -0.95 0.00 0.00 178.83 178.23 3frt h ARG 39 N 0.53 0.18 0.00 1.46 2.43 -0.01 0.60 114.38 119.58 3frt h ARG 39 Ca 0.10 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.06 3frt h ARG 39 Cb 0.57 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3frt h ARG 39 CO 0.03 0.12 -0.89 1.49 -1.51 0.00 0.00 179.97 179.21 3frt h GLU 40 N 0.19 0.23 -0.15 0.20 4.57 0.01 -3.23 114.58 116.40 3frt h GLU 40 Ca 0.14 -0.25 -0.15 0.00 -1.18 0.00 0.00 59.36 57.92 3frt h GLU 40 Cb 0.30 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3frt h GLU 40 CO -0.02 0.98 -0.53 0.93 -1.18 0.00 0.00 179.01 179.18 3frt h GLU 41 N 0.13 0.44 -0.90 1.92 5.08 0.62 -2.34 114.58 119.53 3frt h GLU 41 Ca -0.05 -0.27 0.24 0.00 -1.00 0.00 0.00 59.36 58.28 3frt h GLU 41 Cb 1.52 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.65 3frt h GLU 41 CO 0.14 0.86 0.16 0.93 -1.00 0.00 0.00 179.01 180.10 3frt h GLU 42 N 0.34 0.12 0.09 2.33 5.08 -1.33 -0.14 114.58 121.07 3frt h GLU 42 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3frt h GLU 42 Cb 1.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3frt h GLU 42 CO 0.09 0.08 -0.04 0.87 -1.00 0.00 0.00 179.01 179.01 3frt h LYS 43 N 0.13 -0.11 -0.94 2.33 1.57 -1.52 -3.18 116.57 114.84 3frt h LYS 43 Ca 0.56 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.54 3frt h LYS 43 Cb 1.14 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 3frt h LYS 43 CO -0.74 0.42 0.61 0.28 -0.57 0.00 0.00 179.45 179.45 3frt h VAL 44 N -0.85 0.69 -0.44 0.50 2.07 -1.14 0.29 116.25 117.37 3frt h VAL 44 Ca -0.01 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3frt h VAL 44 Cb 0.59 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3frt h VAL 44 CO 0.02 0.10 0.18 0.50 0.02 0.00 0.00 177.57 178.39 3frt h LYS 45 N 0.53 0.36 -0.20 1.57 3.64 -1.03 -0.50 116.57 120.93 3frt h LYS 45 Ca 0.50 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 3frt h LYS 45 Cb 1.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3frt h LYS 45 CO -0.24 0.24 0.04 0.00 -2.27 0.00 0.00 179.45 177.22 3frt h ARG 46 N 0.37 0.33 0.06 1.90 3.08 -0.43 -2.08 114.38 117.61 3frt h ARG 46 Ca 0.20 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.19 3frt h ARG 46 Cb 0.16 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3frt h ARG 46 CO -0.18 0.47 -0.24 0.77 -1.07 0.00 0.00 179.97 179.72 3frt h SER 47 N 0.13 -0.69 -0.78 7.04 0.02 -1.28 0.28 113.55 118.28 3frt h SER 47 Ca 0.06 0.09 0.17 0.00 -0.84 0.00 0.00 61.79 61.27 3frt h SER 47 Cb 0.30 0.27 -0.11 0.00 0.14 0.00 0.00 62.40 63.00 3frt h SER 47 CO 0.00 -0.32 0.22 0.58 -1.14 0.00 0.00 176.83 176.18 3frt h VAL 48 N -0.41 0.50 0.59 2.27 2.07 -0.74 0.27 116.25 120.80 3frt h VAL 48 Ca 0.05 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3frt h VAL 48 Cb 0.46 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3frt h VAL 48 CO -0.17 0.05 -0.28 0.11 0.02 0.00 0.00 177.57 177.29 3frt h LYS 49 N 0.30 -0.77 -0.43 1.57 1.57 -0.88 0.42 116.57 118.35 3frt h LYS 49 Ca 0.45 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.37 3frt h LYS 49 Cb 0.78 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.18 3frt h LYS 49 CO -0.52 -0.48 -0.19 -0.44 -0.57 0.00 0.00 179.45 177.25 3frt h ASP 50 N -0.88 -0.67 -0.77 0.86 3.32 0.41 0.41 116.42 119.10 3frt h ASP 50 Ca -0.08 0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3frt h ASP 50 Cb 0.64 0.37 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 3frt h ASP 50 CO 0.13 -0.23 0.51 0.00 -1.72 0.00 0.00 179.24 177.93 3frt h ALA 51 N 1.20 1.58 0.26 3.45 0.00 -0.50 -1.05 119.26 124.21 3frt h ALA 51 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3frt h ALA 51 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3frt h ALA 51 CO -0.50 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 178.95 3frt h ALA 52 N 1.56 -0.35 -0.20 0.00 0.00 0.19 -1.06 119.26 119.40 3frt h ALA 52 Ca 0.32 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3frt h ALA 52 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3frt h ALA 52 CO -0.10 -0.69 0.14 0.87 0.00 0.00 0.00 179.25 179.48 3frt h LYS 53 N -0.37 0.07 -0.43 0.00 1.57 0.19 0.35 116.57 117.94 3frt h LYS 53 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3frt h LYS 53 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3frt h LYS 53 CO 0.06 0.04 0.00 1.63 -0.57 0.00 0.00 179.45 180.61 3frt n LYS 54 N -4.49 2.10 -1.26 3.15 5.02 -0.48 -4.95 118.16 117.24 3frt n LYS 54 Ca 0.01 -1.70 -0.09 0.00 -2.02 0.00 0.00 58.31 54.51 3frt n LYS 54 Cb 0.24 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3frt n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3frt n GLY 55 N 1.27 0.94 3.57 0.72 0.00 0.12 -4.92 105.19 106.89 3frt n GLY 55 Ca 0.17 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3frt n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3frt s GLN 56 N -2.61 3.35 0.11 1.61 -0.21 -0.48 -4.85 119.66 116.58 3frt s GLN 56 Ca 0.00 -1.33 -0.26 0.00 0.02 0.00 0.00 55.36 53.79 3frt s GLN 56 Cb 0.00 -5.36 -0.09 0.00 1.00 0.00 0.00 33.01 28.56 3frt s GLN 56 CO 0.00 -2.79 1.66 0.87 -2.12 0.00 0.00 175.29 172.91 3frt h LYS 57 N 9.18 -0.37 -0.82 2.91 1.57 -1.91 -2.58 116.57 124.54 3frt h LYS 57 Ca 0.28 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.17 3frt h LYS 57 Cb 0.94 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 3frt h LYS 57 CO 1.36 -0.25 0.53 -0.44 -0.57 0.00 0.00 179.45 180.09 3frt h ASP 58 N -0.38 0.73 -0.55 0.86 3.32 -1.98 0.17 116.42 118.58 3frt h ASP 58 Ca 0.03 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3frt h ASP 58 Cb 0.40 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3frt h ASP 58 CO -0.11 0.45 0.25 0.58 -1.72 0.00 0.00 179.24 178.69 3frt h VAL 59 N 0.82 1.21 0.08 -1.35 2.07 -1.93 -1.72 116.25 115.42 3frt h VAL 59 Ca 0.37 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3frt h VAL 59 Cb 0.37 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3frt h VAL 59 CO -0.14 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 177.65 3frt h ILE 61 N -0.29 0.58 0.70 0.00 2.04 -0.90 0.13 117.51 119.77 3frt h ILE 61 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3frt h ILE 61 Cb 0.25 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3frt h ILE 61 CO 0.02 0.00 -0.38 0.58 0.00 0.00 0.00 178.15 178.36 3frt h VAL 62 N -0.03 0.22 -0.82 1.67 2.07 -1.15 -1.08 116.25 117.13 3frt h VAL 62 Ca 0.18 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.80 3frt h VAL 62 Cb 0.31 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 3frt h VAL 62 CO -0.40 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.58 3frt h LEU 63 N -1.00 0.67 -0.44 2.57 3.38 -0.54 0.15 115.31 120.09 3frt h LEU 63 Ca -0.09 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3frt h LEU 63 Cb 0.79 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 3frt h LEU 63 CO 0.12 0.38 -0.39 0.00 0.09 0.00 0.00 178.44 178.64 3frt h ALA 64 N 1.45 -0.30 -0.72 1.53 0.00 -0.13 0.63 119.26 121.71 3frt h ALA 64 Ca 0.40 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.53 3frt h ALA 64 Cb 0.36 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3frt h ALA 64 CO -0.25 -0.80 0.48 0.87 0.00 0.00 0.00 179.25 179.56 3frt h LYS 65 N -0.28 0.40 -0.87 0.00 1.57 0.53 0.39 116.57 118.31 3frt h LYS 65 Ca 0.16 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3frt h LYS 65 Cb 0.57 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3frt h LYS 65 CO -0.59 0.26 0.57 1.49 -0.57 0.00 0.00 179.45 180.62 3frt h GLU 66 N 0.41 1.03 0.25 3.15 4.57 0.99 -1.03 114.58 123.95 3frt h GLU 66 Ca 0.35 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 3frt h GLU 66 Cb 0.79 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3frt h GLU 66 CO -0.11 0.68 -0.12 1.98 -1.18 0.00 0.00 179.01 180.26 3frt h MET 67 N 1.06 -0.32 -0.28 1.92 4.05 0.18 -1.63 114.93 119.92 3frt h MET 67 Ca 0.35 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.86 3frt h MET 67 Cb 0.07 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 30.86 3frt h MET 67 CO -0.11 0.05 -0.33 -0.84 0.23 0.00 0.00 176.91 175.90 3frt h ILE 68 N -0.86 0.25 -0.85 1.77 3.07 -1.11 0.47 117.51 120.24 3frt h ILE 68 Ca -0.03 0.00 0.22 0.00 1.55 0.00 0.00 64.86 66.59 3frt h ILE 68 Cb 0.51 0.25 -0.13 0.00 -0.27 0.00 0.00 36.82 37.17 3frt h ILE 68 CO 0.06 0.00 0.23 -0.09 -1.05 0.00 0.00 178.15 177.29 3frt h ARG 69 N -0.32 0.22 0.38 0.16 2.43 -1.20 0.52 114.38 116.58 3frt h ARG 69 Ca 0.14 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3frt h ARG 69 Cb 0.54 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3frt h ARG 69 CO -0.46 0.15 -0.18 0.77 -1.51 0.00 0.00 179.97 178.73 3frt h SER 70 N 0.23 -0.44 -0.45 -3.80 0.02 0.02 -0.38 113.55 108.75 3frt h SER 70 Ca 0.52 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.56 3frt h SER 70 Cb 1.02 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 3frt h SER 70 CO -0.62 -0.29 -0.04 0.03 -1.14 0.00 0.00 176.83 174.77 3frt h ARG 71 N -0.54 0.07 -0.75 3.45 3.08 0.10 0.48 114.38 120.27 3frt h ARG 71 Ca -0.05 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3frt h ARG 71 Cb 0.41 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 3frt h ARG 71 CO 0.09 0.05 0.46 0.87 -1.07 0.00 0.00 179.97 180.36 3frt h LYS 72 N 0.07 0.85 -0.03 0.04 1.57 -1.06 -0.25 116.57 117.76 3frt h LYS 72 Ca 0.22 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3frt h LYS 72 Cb 0.33 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3frt h LYS 72 CO -0.40 0.56 -0.05 0.00 -0.57 0.00 0.00 179.45 178.99 3frt h ALA 73 N 1.34 -0.03 -0.60 3.86 0.00 0.15 -0.73 119.26 123.25 3frt h ALA 73 Ca 0.31 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3frt h ALA 73 Cb 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3frt h ALA 73 CO -0.14 -0.54 0.19 0.28 0.00 0.00 0.00 179.25 179.05 3frt h VAL 74 N -0.08 1.24 0.52 0.00 2.07 0.10 -2.23 116.25 117.87 3frt h VAL 74 Ca 0.03 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3frt h VAL 74 Cb 0.12 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3frt h VAL 74 CO -0.08 0.31 -0.39 -1.28 0.02 0.00 0.00 177.57 176.16 3frt h SER 75 N 0.85 -1.01 -1.05 0.57 0.87 -0.71 0.93 113.55 114.00 3frt h SER 75 Ca 0.19 0.07 0.28 0.00 -1.23 0.00 0.00 61.79 61.10 3frt h SER 75 Cb 0.28 0.31 -0.08 0.00 -0.44 0.00 0.00 62.40 62.48 3frt h SER 75 CO -0.01 -0.57 0.71 0.50 -0.53 0.00 0.00 176.83 176.93 3frt h LYS 76 N -0.89 0.25 0.19 2.24 3.64 -0.94 0.43 116.57 121.49 3frt h LYS 76 Ca -0.06 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3frt h LYS 76 Cb 0.75 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3frt h LYS 76 CO 0.02 0.17 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.20 3frt h LEU 77 N 0.26 -0.22 -1.00 5.20 3.38 -0.44 -1.17 115.31 121.32 3frt h LEU 77 Ca 0.56 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.30 3frt h LEU 77 Cb 1.69 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.44 3frt h LEU 77 CO -0.19 0.17 0.66 1.88 0.09 0.00 0.00 178.44 181.05 3frt h TYR 78 N -0.63 1.24 -0.56 1.13 0.99 0.15 0.17 116.97 119.45 3frt h TYR 78 Ca -0.03 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.82 3frt h TYR 78 Cb 0.46 -0.41 -0.07 0.00 1.00 0.00 0.00 36.73 37.71 3frt h TYR 78 CO 0.04 0.73 0.19 0.00 -0.00 0.00 0.00 178.16 179.12 3frt h ALA 79 N 1.40 0.70 -0.58 3.88 0.00 -0.17 -0.80 119.26 123.68 3frt h ALA 79 Ca 0.39 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.48 3frt h ALA 79 Cb -0.04 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3frt h ALA 79 CO -0.11 -0.21 0.15 0.77 0.00 0.00 0.00 179.25 179.84 3frt h SER 80 N 0.37 0.06 -1.00 0.00 0.02 0.52 -0.22 113.55 113.31 3frt h SER 80 Ca 0.28 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.42 3frt h SER 80 Cb 0.33 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.92 3frt h SER 80 CO -0.29 0.04 0.64 0.50 -1.14 0.00 0.00 176.83 176.58 3frt h LYS 81 N 0.29 1.04 0.89 3.45 3.64 0.17 0.81 116.57 126.86 3frt h LYS 81 Ca 0.30 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3frt h LYS 81 Cb 0.43 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3frt h LYS 81 CO -0.37 0.69 -0.43 0.00 -2.27 0.00 0.00 179.45 177.07 3frt h ALA 82 N 1.50 -1.31 -0.91 5.00 0.00 0.27 -1.97 119.26 121.85 3frt h ALA 82 Ca 0.46 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.32 3frt h ALA 82 Cb 0.34 0.46 -0.17 0.00 0.00 0.00 0.00 17.79 18.43 3frt h ALA 82 CO -0.22 -1.23 -0.08 0.45 0.00 0.00 0.00 179.25 178.17 3frt h HIS 83 N -1.20 -0.23 -0.66 0.00 3.86 -0.61 0.66 115.15 116.96 3frt h HIS 83 Ca -0.12 0.07 0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3frt h HIS 83 Cb 0.92 0.25 -0.08 0.00 1.06 0.00 0.00 27.41 29.56 3frt h HIS 83 CO 0.03 -0.37 0.27 0.52 0.86 0.00 0.00 177.93 179.24 3frt h MET 84 N 0.03 0.45 -0.39 2.45 2.07 -0.72 -1.19 114.93 117.63 3frt h MET 84 Ca 0.49 -0.03 -0.15 0.00 -2.07 0.00 0.00 59.70 57.94 3frt h MET 84 Cb 0.88 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.50 3frt h MET 84 CO -0.87 0.30 -0.36 -0.91 1.07 0.00 0.00 176.91 176.13 3frt h ASN 85 N 0.46 0.98 -0.44 1.22 2.35 0.10 0.33 115.58 120.58 3frt h ASN 85 Ca 0.34 -0.44 0.09 0.00 -0.55 0.00 0.00 56.30 55.74 3frt h ASN 85 Cb 0.42 -0.28 -0.09 0.00 0.05 0.00 0.00 38.32 38.43 3frt h ASN 85 CO -0.32 1.23 -0.19 -1.28 -1.65 0.00 0.00 177.43 175.23 3frt h SER 86 N 0.76 -0.64 -0.64 5.81 0.87 -0.49 0.42 113.55 119.64 3frt h SER 86 Ca 0.07 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3frt h SER 86 Cb 0.95 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 3frt h SER 86 CO 0.09 -0.22 0.14 0.58 -0.53 0.00 0.00 176.83 176.89 3frt h VAL 87 N -0.09 1.26 -0.45 2.23 2.07 -0.70 -0.09 116.25 120.48 3frt h VAL 87 Ca 0.21 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3frt h VAL 87 Cb 0.42 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3frt h VAL 87 CO -0.51 0.36 0.26 0.25 0.02 0.00 0.00 177.57 177.96 3frt h LEU 88 N 0.96 0.55 0.11 2.57 5.85 0.36 -1.78 115.31 123.93 3frt h LEU 88 Ca 0.20 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3frt h LEU 88 Cb 0.38 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3frt h LEU 88 CO 0.01 0.46 -0.45 0.24 -0.34 0.00 0.00 178.44 178.35 3frt h MET 89 N 0.60 -0.62 -1.32 1.25 2.86 0.34 -0.13 114.93 117.91 3frt h MET 89 Ca 0.16 0.04 0.46 0.00 -2.06 0.00 0.00 59.70 58.31 3frt h MET 89 Cb 0.02 0.14 -0.14 0.00 0.06 0.00 0.00 31.60 31.68 3frt h MET 89 CO -0.03 -0.41 0.83 0.78 1.06 0.00 0.00 176.91 179.14 3frt h GLY 90 N -0.65 1.51 1.00 8.32 0.00 -0.81 1.60 103.07 114.04 3frt h GLY 90 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3frt h GLY 90 CO -0.24 -0.52 -0.05 -0.33 0.00 0.00 0.00 176.54 175.40 3frt h MET 91 N 0.02 0.82 0.03 4.80 2.07 -0.18 0.23 114.93 122.73 3frt h MET 91 Ca 0.87 -0.29 0.00 0.00 -2.07 0.00 0.00 59.70 58.22 3frt h MET 91 Cb 2.72 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 32.38 3frt h MET 91 CO -0.51 0.91 -0.04 -0.22 1.07 0.00 0.00 176.91 178.12 3frt h LYS 92 N 0.66 -0.09 0.43 1.72 3.64 0.35 -2.77 116.57 120.52 3frt h LYS 92 Ca 0.12 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3frt h LYS 92 Cb 0.56 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3frt h LYS 92 CO 0.03 -0.06 -0.49 -0.97 -2.27 0.00 0.00 179.45 175.70 3frt h ASN 93 N -0.09 -1.35 -1.28 4.20 -1.24 -0.50 -2.55 115.58 112.77 3frt h ASN 93 Ca 0.01 0.11 0.45 0.00 0.71 0.00 0.00 56.30 57.58 3frt h ASN 93 Cb 0.09 0.45 -0.14 0.00 0.73 0.00 0.00 38.32 39.45 3frt h ASN 93 CO -0.02 -0.62 0.81 0.00 -1.29 0.00 0.00 177.43 176.31 3frt n GLN 94 N -5.36 -0.04 -0.35 6.67 1.13 0.79 0.23 117.38 120.46 3frt n GLN 94 Ca -0.11 1.23 0.12 0.00 -1.94 0.00 0.00 57.00 56.30 3frt n GLN 94 Cb 0.43 -2.40 0.30 0.00 0.11 0.00 0.00 30.24 28.69 3frt n GLN 94 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3frt h LEU 95 N 0.00 0.75 0.06 1.08 3.38 -1.30 -3.11 115.31 116.16 3frt h LEU 95 Ca 0.85 0.10 -0.26 0.00 0.09 0.00 0.00 57.88 58.65 3frt h LEU 95 Cb 2.67 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 43.36 3frt h LEU 95 CO -0.50 0.27 -1.29 0.00 0.09 0.00 0.00 178.44 177.01 3frt h ALA 96 N 1.63 0.34 -0.42 1.53 0.00 0.28 -3.43 119.26 119.19 3frt h ALA 96 Ca 0.56 -1.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 3frt h ALA 96 Cb 0.85 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3frt h ALA 96 CO -0.38 1.21 0.76 0.08 0.00 0.00 0.00 179.25 180.93 3frt s VAL 97 N -2.66 3.40 -0.62 0.00 1.01 -1.17 -5.06 120.40 115.29 3frt s VAL 97 Ca -0.04 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 3frt s VAL 97 Cb 0.08 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 32.02 3frt s VAL 97 CO 0.84 -0.74 1.70 0.18 0.00 0.00 0.00 175.10 177.08 3frt n LEU 98 N 15.68 0.19 0.00 3.92 4.32 -1.26 -4.55 117.00 135.29 3frt n LEU 98 Ca 0.44 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 3frt n LEU 98 Cb 0.46 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 3frt n LEU 98 CO 0.64 -0.46 0.00 -1.20 -1.22 0.00 0.00 177.39 175.16 3frt n SER 103 N 6.59 0.00 -3.51 -1.43 7.64 -1.26 -5.06 113.62 116.59 3frt n SER 103 Ca 0.42 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.17 3frt n SER 103 Cb 0.02 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 3frt n SER 103 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3frt s LEU 104 N 0.00 -0.39 0.16 -3.43 1.43 -1.26 -4.43 118.68 110.75 3frt s LEU 104 Ca 0.00 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 3frt s LEU 104 Cb 0.00 0.82 -0.05 0.00 0.03 0.00 0.00 46.19 46.99 3frt s LEU 104 CO 0.00 -0.28 0.37 -1.58 0.23 0.00 0.00 176.35 175.09 3frt s GLN 105 N 2.46 3.58 -1.22 1.70 2.00 -1.26 -4.63 119.66 122.27 3frt s GLN 105 Ca 0.06 -0.18 -0.17 0.00 -2.00 0.00 0.00 55.36 53.07 3frt s GLN 105 Cb -0.14 -2.85 -0.02 0.00 0.80 0.00 0.00 33.01 30.79 3frt s GLN 105 CO -0.12 0.45 2.06 0.36 -0.50 0.00 0.00 175.29 177.54 3frt n LYS 106 N -0.12 2.43 -1.47 1.67 2.85 -1.26 -3.66 118.16 118.60 3frt n LYS 106 Ca -0.03 -2.47 -0.12 0.00 -1.05 0.00 0.00 58.31 54.64 3frt n LYS 106 Cb 0.52 -3.24 -0.10 0.00 -0.65 0.00 0.00 35.03 31.56 3frt n LYS 106 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3frt n SER 107 N 7.36 0.69 0.00 -5.58 7.64 -1.26 -4.72 113.62 117.75 3frt n SER 107 Ca 0.50 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 58.25 3frt n SER 107 Cb 0.41 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 3frt n SER 107 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3frt n THR 108 N 8.16 0.63 0.15 0.44 5.66 -1.26 0.22 114.28 128.29 3frt n THR 108 Ca 0.35 0.44 -0.07 0.00 -3.05 0.00 0.00 64.05 61.72 3frt n THR 108 Cb 0.46 -1.44 -0.04 0.00 -1.55 0.00 0.00 70.33 67.76 3frt n THR 108 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3frt h GLU 109 N 0.00 -0.46 -0.00 1.09 4.81 -2.01 -3.30 114.58 114.71 3frt h GLU 109 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3frt h GLU 109 Cb 0.57 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3frt h GLU 109 CO 0.00 -0.29 0.00 1.33 -0.73 0.00 0.00 179.01 179.32 3frt n VAL 110 N -5.09 0.00 -0.06 0.32 0.24 0.13 -2.19 118.33 111.68 3frt n VAL 110 Ca -0.06 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.20 3frt n VAL 110 Cb 0.19 -0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.37 3frt n VAL 110 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3frt h MET 111 N 0.00 0.00 0.00 7.34 1.85 -1.63 -3.34 114.93 119.15 3frt h MET 111 Ca 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 3frt h MET 111 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3frt h MET 111 CO 0.00 0.00 -0.21 0.87 -0.40 0.00 0.00 176.91 177.17 3frt h LYS 112 N -0.95 0.00 -0.03 0.39 1.57 -1.51 -2.53 116.57 113.51 3frt h LYS 112 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3frt h LYS 112 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 3frt h LYS 112 CO 0.00 0.21 -0.42 0.00 -0.57 0.00 0.00 179.45 178.67 3frt h ALA 113 N 1.79 0.09 0.00 3.86 0.00 -1.73 -2.91 119.26 120.35 3frt h ALA 113 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3frt h ALA 113 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3frt h ALA 113 CO 0.03 0.23 0.00 -0.12 0.00 0.00 0.00 179.25 179.39 3frt n MET 114 N -4.36 0.78 -0.02 0.00 0.00 -0.98 -1.34 117.12 111.20 3frt n MET 114 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.70 57.62 3frt n MET 114 Cb 0.57 -1.06 -0.08 0.00 0.00 0.00 0.00 33.22 32.65 3frt n MET 114 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 3frt n GLN 115 N -0.40 1.02 0.00 2.12 -0.06 -1.06 -4.13 117.38 114.87 3frt n GLN 115 Ca 0.00 -0.07 0.11 0.00 -2.00 0.00 0.00 57.00 55.04 3frt n GLN 115 Cb 0.03 -1.26 -0.00 0.00 -4.06 0.00 0.00 30.24 24.95 3frt n GLN 115 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3frt n SER 116 N -2.04 1.67 -0.04 1.69 3.41 -0.60 -4.25 113.62 113.44 3frt n SER 116 Ca -0.07 -1.31 -0.08 0.00 -0.26 0.00 0.00 58.87 57.15 3frt n SER 116 Cb 0.47 0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 64.85 3frt n SER 116 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3frt n LEU 117 N -0.47 0.57 -1.15 1.04 7.94 -0.45 -4.20 117.00 120.28 3frt n LEU 117 Ca 0.08 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 3frt n LEU 117 Cb 0.42 0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.64 3frt n LEU 117 CO 0.32 0.40 0.42 1.33 -1.11 0.00 0.00 177.39 178.76 3frt n VAL 118 N -2.92 0.85 -2.79 1.96 0.24 -1.26 -3.27 118.33 111.14 3frt n VAL 118 Ca -0.22 -0.08 -0.01 0.00 -2.04 0.00 0.00 64.34 61.99 3frt n VAL 118 Cb 1.07 -0.96 0.07 0.00 -1.47 0.00 0.00 33.84 32.54 3frt n VAL 118 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3frt n LYS 119 N 0.89 1.61 -3.81 7.34 2.85 -1.26 -4.88 118.16 120.90 3frt n LYS 119 Ca 0.00 -2.99 -0.29 0.00 -1.05 0.00 0.00 58.31 53.98 3frt n LYS 119 Cb 0.35 -1.14 -0.16 0.00 -0.65 0.00 0.00 35.03 33.43 3frt n LYS 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3frt s ILE 120 N -2.89 0.99 0.02 0.58 1.09 -1.20 -4.97 121.20 114.82 3frt s ILE 120 Ca 0.23 -1.00 -0.02 0.00 -1.10 0.00 0.00 60.65 58.76 3frt s ILE 120 Cb 0.36 -1.47 0.02 0.00 -1.06 0.00 0.00 42.46 40.30 3frt s ILE 120 CO -0.06 -0.28 0.15 -2.65 -0.10 0.00 0.00 174.94 172.01 3frt n PRO 121 N 4.86 -0.03 0.03 2.79 -0.02 -1.26 0.30 135.00 141.67 3frt n PRO 121 Ca -0.08 0.15 -0.19 0.00 -2.02 0.00 0.00 63.50 61.36 3frt n PRO 121 Cb 0.45 -0.23 -0.12 0.00 -0.02 0.00 0.00 33.50 33.58 3frt n PRO 121 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3frt h GLU 122 N 0.00 0.49 0.00 -0.52 3.07 -1.99 -3.18 114.58 112.46 3frt h GLU 122 Ca 0.03 -0.58 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 3frt h GLU 122 Cb 0.06 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3frt h GLU 122 CO -0.10 1.22 -0.90 0.44 -1.40 0.00 0.00 179.01 178.27 3frt n ILE 123 N -4.06 0.34 -0.27 3.13 -5.35 0.10 -4.43 119.36 108.82 3frt n ILE 123 Ca -0.12 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 3frt n ILE 123 Cb 0.79 -0.05 0.04 0.00 -1.74 0.00 0.00 39.64 38.68 3frt n ILE 123 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3frt n GLN 124 N -2.19 -0.15 0.00 6.28 7.27 0.89 -2.70 117.38 126.79 3frt n GLN 124 Ca 0.02 1.08 0.00 0.00 0.07 0.00 0.00 57.00 58.17 3frt n GLN 124 Cb 0.47 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.51 3frt n GLN 124 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3frt n ALA 125 N -3.65 0.00 -0.11 1.69 0.00 -1.26 -4.01 120.51 113.17 3frt n ALA 125 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 3frt n ALA 125 Cb 0.29 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 3frt n ALA 125 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3frt n THR 126 N -0.40 -0.17 -0.04 0.00 -2.24 -1.12 -2.22 114.28 108.09 3frt n THR 126 Ca 0.00 1.65 -0.01 0.00 -2.27 0.00 0.00 64.05 63.42 3frt n THR 126 Cb 0.00 -2.14 -0.01 0.00 -2.10 0.00 0.00 70.33 66.08 3frt n THR 126 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3frt n MET 127 N -3.54 -0.04 0.26 -0.78 2.00 -1.10 0.25 117.12 114.18 3frt n MET 127 Ca 0.01 0.16 0.18 0.00 0.00 0.00 0.00 57.70 58.04 3frt n MET 127 Cb 0.07 -0.24 0.86 0.00 0.00 0.00 0.00 33.22 33.91 3frt n MET 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3frt h ARG 128 N 0.00 0.00 0.13 0.03 2.43 -1.58 0.60 114.38 115.99 3frt h ARG 128 Ca 0.02 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.85 3frt h ARG 128 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3frt h ARG 128 CO -0.10 0.00 -1.78 1.49 -1.51 0.00 0.00 179.97 178.07 3frt h GLU 129 N 0.00 0.27 -0.61 0.20 4.81 0.33 -3.07 114.58 116.50 3frt h GLU 129 Ca 0.06 -0.47 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 3frt h GLU 129 Cb 0.63 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3frt h GLU 129 CO -0.00 1.15 0.01 -0.07 -0.73 0.00 0.00 179.01 179.37 3frt h LEU 130 N 0.07 1.05 -1.75 1.64 3.38 -0.51 -1.93 115.31 117.26 3frt h LEU 130 Ca -0.34 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.44 3frt h LEU 130 Cb 2.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 3frt h LEU 130 CO 0.13 1.10 0.39 -1.28 0.09 0.00 0.00 178.44 178.87 3frt h SER 131 N 0.98 0.24 0.11 -0.43 0.87 0.01 -0.13 113.55 115.21 3frt h SER 131 Ca 0.18 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3frt h SER 131 Cb 0.55 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3frt h SER 131 CO 0.03 0.14 -0.05 0.50 -0.53 0.00 0.00 176.83 176.92 3frt h LYS 132 N 0.27 -0.14 -1.12 2.24 3.64 -1.36 -1.17 116.57 118.93 3frt h LYS 132 Ca 0.27 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 60.01 3frt h LYS 132 Cb 0.69 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.41 3frt h LYS 132 CO -0.06 0.31 0.69 0.93 -2.27 0.00 0.00 179.45 179.05 3frt h GLU 133 N -0.93 0.24 0.24 1.90 5.08 -0.91 0.13 114.58 120.34 3frt h GLU 133 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3frt h GLU 133 Cb 0.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3frt h GLU 133 CO 0.02 0.16 -0.12 0.52 -1.00 0.00 0.00 179.01 178.59 3frt h MET 134 N 0.24 -0.31 -0.36 2.33 2.86 -1.09 -3.32 114.93 115.28 3frt h MET 134 Ca 0.74 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.51 3frt h MET 134 Cb 1.98 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.70 3frt h MET 134 CO -0.48 -0.20 0.57 1.98 1.06 0.00 0.00 176.91 179.85 3frt h MET 135 N -1.08 0.00 0.00 1.72 -1.53 0.06 -2.85 114.93 111.25 3frt h MET 135 Ca -0.03 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 3frt h MET 135 Cb 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 3frt h MET 135 CO 0.05 0.00 0.00 1.17 0.14 0.00 0.00 176.91 178.27 3frt n LYS 136 N -3.33 0.00 -1.28 0.39 4.81 0.35 -4.35 118.16 114.75 3frt n LYS 136 Ca 0.07 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.33 3frt n LYS 136 Cb 0.72 -0.17 0.12 0.00 0.02 0.00 0.00 35.03 35.73 3frt n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3frt n ALA 137 N -3.00 5.01 -2.33 3.14 0.00 -1.24 -4.98 120.51 117.11 3frt n ALA 137 Ca 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.05 3frt n ALA 137 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3frt n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3frt n GLY 138 N -0.97 4.01 3.22 0.00 0.00 -1.07 -4.80 105.19 105.57 3frt n GLY 138 Ca 0.44 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3frt n GLY 138 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3frt n ILE 139 N 0.00 0.00 0.00 -0.61 -0.00 -1.24 -4.56 119.36 112.95 3frt n ILE 139 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 3frt n ILE 139 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 39.64 39.22 3frt n ILE 139 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3frt n ILE 140 N -3.88 0.00 -1.76 7.28 -0.00 -1.26 -2.36 119.36 117.38 3frt n ILE 140 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.36 3frt n ILE 140 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.24 3frt n ILE 140 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 3frt s MET 157 N 3.16 2.77 -0.24 0.38 1.75 -1.26 -4.21 119.30 121.65 3frt s MET 157 Ca 0.00 1.45 -0.00 0.00 -1.25 0.00 0.00 55.69 55.89 3frt s MET 157 Cb 0.00 -4.40 0.19 0.00 2.84 0.00 0.00 34.83 33.46 3frt s MET 157 CO 0.00 -2.52 1.88 0.39 -0.65 0.00 0.00 175.02 174.12 3frt n GLU 158 N 8.84 1.61 0.08 4.11 1.02 -1.26 -4.05 120.64 130.98 3frt n GLU 158 Ca 0.29 -1.23 0.12 0.00 -0.02 0.00 0.00 57.16 56.32 3frt n GLU 158 Cb 0.50 -1.48 0.20 0.00 -0.02 0.00 0.00 31.44 30.64 3frt n GLU 158 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3frt h GLU 159 N 1.18 0.00 -0.27 3.49 4.22 -2.08 -3.09 114.58 118.03 3frt h GLU 159 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.67 3frt h GLU 159 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3frt h GLU 159 CO 0.57 0.00 0.00 0.39 -2.18 0.00 0.00 179.01 177.79 3frt n GLU 160 N -2.20 2.00 0.00 1.92 1.02 -1.26 -3.40 120.64 118.72 3frt n GLU 160 Ca 0.03 -1.51 0.12 0.00 -0.02 0.00 0.00 57.16 55.78 3frt n GLU 160 Cb 0.45 -1.42 0.69 0.00 -0.02 0.00 0.00 31.44 31.13 3frt n GLU 160 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3frt n ALA 161 N 0.73 2.54 1.71 0.62 0.00 -1.17 -1.02 120.51 123.92 3frt n ALA 161 Ca 0.17 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3frt n ALA 161 Cb 0.42 -1.38 0.51 0.00 0.00 0.00 0.00 19.45 19.00 3frt n ALA 161 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3frt n GLU 162 N -0.90 1.29 -0.01 0.00 0.28 -1.22 -3.51 120.64 116.57 3frt n GLU 162 Ca 0.17 -0.43 0.03 0.00 -0.16 0.00 0.00 57.16 56.77 3frt n GLU 162 Cb 0.08 -1.35 -0.07 0.00 1.43 0.00 0.00 31.44 31.53 3frt n GLU 162 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3frt n MET 163 N -0.37 0.80 -0.11 3.44 2.81 -0.19 -4.44 117.12 119.06 3frt n MET 163 Ca 0.16 -0.07 -0.11 0.00 -1.81 0.00 0.00 57.70 55.87 3frt n MET 163 Cb 0.17 -1.23 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 3frt n MET 163 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3frt h GLU 164 N 0.00 0.55 0.49 0.03 4.81 -1.59 -1.83 114.58 117.03 3frt h GLU 164 Ca -0.06 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3frt h GLU 164 Cb 0.69 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3frt h GLU 164 CO 0.00 0.66 -0.33 -0.84 -0.73 0.00 0.00 179.01 177.77 3frt h ILE 165 N 0.37 0.31 -0.61 2.32 -0.00 -1.81 0.59 117.51 118.68 3frt h ILE 165 Ca 0.09 0.00 0.18 0.00 -0.00 0.00 0.00 64.86 65.13 3frt h ILE 165 Cb 0.40 0.31 -0.02 0.00 -0.00 0.00 0.00 36.82 37.51 3frt h ILE 165 CO 0.01 0.00 0.61 0.44 -0.00 0.00 0.00 178.15 179.22 3frt h ASP 166 N -0.79 0.00 0.28 2.16 3.45 -1.77 0.45 116.42 120.20 3frt h ASP 166 Ca -0.05 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 3frt h ASP 166 Cb 0.66 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 3frt h ASP 166 CO 0.03 0.00 -0.14 -0.09 -1.57 0.00 0.00 179.24 177.48 3frt h ARG 167 N 0.00 -0.36 -0.58 3.56 2.43 -0.25 -3.22 114.38 115.96 3frt h ARG 167 Ca 0.29 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.58 3frt h ARG 167 Cb 1.52 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.11 3frt h ARG 167 CO -0.00 -0.24 0.39 0.82 -1.51 0.00 0.00 179.97 179.42 3frt h ILE 168 N -0.78 0.90 0.32 1.20 2.04 0.99 0.50 117.51 122.69 3frt h ILE 168 Ca -0.04 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3frt h ILE 168 Cb 0.29 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3frt h ILE 168 CO 0.06 0.07 -0.40 -0.07 0.00 0.00 0.00 178.15 177.82 3frt h LEU 169 N 0.39 -1.12 -0.35 1.44 3.38 -1.13 -1.82 115.31 116.10 3frt h LEU 169 Ca 0.26 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.41 3frt h LEU 169 Cb 0.53 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 3frt h LEU 169 CO -0.07 -0.50 -0.23 0.15 0.09 0.00 0.00 178.44 177.88 3frt h PHE 170 N -0.74 -0.61 0.00 1.13 3.57 -1.10 -0.51 116.94 118.69 3frt h PHE 170 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3frt h PHE 170 Cb 0.66 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3frt h PHE 170 CO -0.27 -0.31 0.00 0.39 -2.23 0.00 0.00 178.31 175.90 3frt n GLU 171 N -5.38 0.13 0.00 1.11 1.02 0.16 -5.11 120.64 112.56 3frt n GLU 171 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3frt n GLU 171 Cb 0.30 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3frt n GLU 171 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75