#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nfe s LEU 2 N 0.00 4.39 0.73 1.04 1.43 -1.26 -5.05 118.68 119.96 3nfe s LEU 2 Ca 0.00 1.98 -0.09 0.00 -1.03 0.00 0.00 54.13 55.00 3nfe s LEU 2 Cb 0.00 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.70 3nfe s LEU 2 CO 0.00 -0.40 1.07 -0.94 0.23 0.00 0.00 176.35 176.31 3nfe s SER 3 N 0.85 4.78 0.28 2.29 1.04 -1.26 -4.87 113.70 116.81 3nfe s SER 3 Ca 0.56 0.60 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 3nfe s SER 3 Cb -0.28 -1.23 0.38 0.00 0.10 0.00 0.00 66.02 64.99 3nfe s SER 3 CO 0.30 -1.66 1.94 0.44 0.98 0.00 0.00 173.24 175.24 3nfe h ASP 4 N -0.73 1.00 0.24 7.02 3.32 -1.98 0.23 116.42 125.52 3nfe h ASP 4 Ca -0.45 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 3nfe h ASP 4 Cb 1.32 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3nfe h ASP 4 CO 0.62 0.74 -0.12 0.50 -1.72 0.00 0.00 179.24 179.27 3nfe h LYS 5 N 1.17 -0.31 -0.59 3.56 3.64 -1.99 0.25 116.57 122.30 3nfe h LYS 5 Ca 0.31 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.83 3nfe h LYS 5 Cb -0.10 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 3nfe h LYS 5 CO -0.06 -0.16 0.03 -0.44 -2.27 0.00 0.00 179.45 176.55 3nfe h ASP 6 N -0.39 -0.20 -0.55 4.20 3.32 -1.83 0.43 116.42 121.40 3nfe h ASP 6 Ca -0.03 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3nfe h ASP 6 Cb 0.30 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3nfe h ASP 6 CO 0.05 -0.08 0.21 0.11 -1.72 0.00 0.00 179.24 177.82 3nfe h LYS 7 N 0.15 0.82 -0.28 3.56 1.57 -0.05 -0.84 116.57 121.50 3nfe h LYS 7 Ca 0.31 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3nfe h LYS 7 Cb 0.49 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3nfe h LYS 7 CO -0.48 0.72 -0.16 0.00 -0.57 0.00 0.00 179.45 178.95 3nfe h ALA 8 N 1.06 1.21 -0.33 3.86 0.00 0.24 -2.44 119.26 122.87 3nfe h ALA 8 Ca 0.18 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3nfe h ALA 8 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3nfe h ALA 8 CO -0.01 0.51 -0.41 0.00 0.00 0.00 0.00 179.25 179.34 3nfe h ALA 9 N 1.39 0.49 -0.15 0.00 0.00 -0.32 -1.00 119.26 119.66 3nfe h ALA 9 Ca 0.08 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 3nfe h ALA 9 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3nfe h ALA 9 CO 0.04 0.61 -0.61 0.28 0.00 0.00 0.00 179.25 179.56 3nfe h VAL 10 N 0.64 1.33 -0.36 0.00 2.07 -1.08 -1.08 116.25 117.77 3nfe h VAL 10 Ca 0.04 -1.89 -0.09 0.00 0.82 0.00 0.00 66.70 65.58 3nfe h VAL 10 Cb 1.00 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3nfe h VAL 10 CO 0.10 0.58 -0.11 0.03 0.02 0.00 0.00 177.57 178.19 3nfe h ARG 11 N 0.39 0.71 -0.55 1.57 3.08 -1.40 0.85 114.38 119.03 3nfe h ARG 11 Ca -0.01 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 3nfe h ARG 11 Cb 1.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3nfe h ARG 11 CO 0.11 0.88 -0.06 0.00 -1.07 0.00 0.00 179.97 179.83 3nfe h ALA 12 N 0.81 0.75 -0.19 0.04 0.00 -1.15 0.32 119.26 119.84 3nfe h ALA 12 Ca 0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3nfe h ALA 12 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3nfe h ALA 12 CO 0.04 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.97 3nfe h LEU 13 N 0.89 0.50 -1.76 0.00 5.85 -1.00 -1.23 115.31 118.56 3nfe h LEU 13 Ca 0.15 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3nfe h LEU 13 Cb 0.62 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3nfe h LEU 13 CO 0.04 0.88 0.08 -0.25 -0.34 0.00 0.00 178.44 178.84 3nfe h TRP 14 N 0.14 0.23 -0.57 1.25 2.91 0.90 -0.06 115.95 120.74 3nfe h TRP 14 Ca 0.03 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 3nfe h TRP 14 Cb 0.73 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.28 3nfe h TRP 14 CO 0.08 0.18 0.10 1.03 -1.03 0.00 0.00 178.44 178.79 3nfe h SER 15 N 0.24 0.86 0.01 2.65 0.87 -0.10 0.05 113.55 118.13 3nfe h SER 15 Ca 0.06 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.26 3nfe h SER 15 Cb 0.04 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3nfe h SER 15 CO -0.01 0.87 -0.68 0.11 -0.53 0.00 0.00 176.83 176.59 3nfe h LYS 16 N 0.87 0.45 0.00 2.24 1.57 0.16 -3.38 116.57 118.47 3nfe h LYS 16 Ca 0.18 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3nfe h LYS 16 Cb 0.38 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3nfe h LYS 16 CO 0.01 1.15 -1.23 0.44 -0.57 0.00 0.00 179.45 179.25 3nfe n ILE 17 N -4.16 0.00 -0.14 1.86 -5.35 -0.26 -4.56 119.36 106.75 3nfe n ILE 17 Ca -0.11 -0.15 0.28 0.00 -0.27 0.00 0.00 62.75 62.50 3nfe n ILE 17 Cb 0.71 0.73 0.63 0.00 -1.74 0.00 0.00 39.64 39.98 3nfe n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3nfe h GLY 18 N 4.51 0.00 1.02 3.28 0.00 -1.16 -1.59 103.07 109.14 3nfe h GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nfe h GLY 18 CO 0.00 0.00 0.61 0.07 0.00 0.00 0.00 176.54 177.22 3nfe h LYS 19 N 0.00 1.30 -0.87 4.80 2.10 -1.84 -3.04 116.57 119.02 3nfe h LYS 19 Ca 0.41 -0.10 -0.52 0.00 -2.00 0.00 0.00 60.65 58.45 3nfe h LYS 19 Cb 2.15 -0.28 -0.28 0.00 -0.90 0.00 0.00 32.23 32.92 3nfe h LYS 19 CO -0.00 0.88 0.49 0.43 -2.00 0.00 0.00 179.45 179.25 3nfe n SER 20 N -4.37 4.95 0.21 7.07 7.64 -0.60 -4.55 113.62 123.97 3nfe n SER 20 Ca 0.11 -3.71 0.05 0.00 1.01 0.00 0.00 58.87 56.33 3nfe n SER 20 Cb 0.04 -0.81 0.44 0.00 -1.01 0.00 0.00 64.21 62.86 3nfe n SER 20 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3nfe h SER 21 N 1.43 0.00 -0.23 6.43 4.64 -1.66 -0.85 113.55 123.30 3nfe h SER 21 Ca 0.54 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.82 3nfe h SER 21 Cb 1.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.95 3nfe h SER 21 CO 1.12 0.30 -0.01 0.44 -0.87 0.00 0.00 176.83 177.81 3nfe h ASP 22 N 0.00 0.41 -0.56 4.97 5.19 -1.87 -2.43 116.42 122.13 3nfe h ASP 22 Ca -0.00 -0.32 -0.11 0.00 -0.62 0.00 0.00 57.03 55.98 3nfe h ASP 22 Cb 0.56 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 3nfe h ASP 22 CO 0.04 0.62 -0.08 0.00 -3.12 0.00 0.00 179.24 176.70 3nfe h ALA 23 N 0.80 0.76 -0.75 3.45 0.00 -1.87 -2.90 119.26 118.75 3nfe h ALA 23 Ca 0.07 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.70 3nfe h ALA 23 Cb 0.42 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3nfe h ALA 23 CO 0.01 0.66 0.42 0.82 0.00 0.00 0.00 179.25 181.17 3nfe h ILE 24 N 0.93 0.95 0.26 0.00 2.04 -1.04 -1.99 117.51 118.65 3nfe h ILE 24 Ca 0.15 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3nfe h ILE 24 Cb 0.65 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3nfe h ILE 24 CO 0.05 0.14 -0.13 1.23 0.00 0.00 0.00 178.15 179.44 3nfe h GLY 25 N 0.75 -0.37 0.41 5.37 0.00 -1.41 -0.28 103.07 107.55 3nfe h GLY 25 Ca 0.35 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.87 3nfe h GLY 25 CO -0.21 -0.13 -0.08 -0.57 0.00 0.00 0.00 176.54 175.55 3nfe h ASN 26 N -0.51 -0.29 -0.69 0.19 -0.73 -1.36 -1.13 115.58 111.05 3nfe h ASN 26 Ca -0.04 0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.16 3nfe h ASN 26 Cb 0.38 0.19 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 3nfe h ASN 26 CO 0.06 -0.11 0.19 -0.78 -0.37 0.00 0.00 177.43 176.43 3nfe h ASP 27 N -0.01 1.03 0.64 1.15 3.58 -1.28 -1.20 116.42 120.33 3nfe h ASP 27 Ca 0.14 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 3nfe h ASP 27 Cb 0.23 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3nfe h ASP 27 CO -0.30 0.98 -0.35 0.00 -2.88 0.00 0.00 179.24 176.69 3nfe h ALA 28 N 1.09 -0.93 -0.93 -0.78 0.00 -0.56 -1.32 119.26 115.82 3nfe h ALA 28 Ca 0.22 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3nfe h ALA 28 Cb 0.33 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3nfe h ALA 28 CO -0.00 -1.03 0.59 -0.07 0.00 0.00 0.00 179.25 178.74 3nfe h LEU 29 N -0.92 0.94 0.06 0.00 3.38 -1.19 0.21 115.31 117.80 3nfe h LEU 29 Ca -0.08 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3nfe h LEU 29 Cb 0.73 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3nfe h LEU 29 CO 0.11 0.60 -0.39 0.28 0.09 0.00 0.00 178.44 179.14 3nfe h SER 30 N 1.08 -1.15 -1.00 -0.43 0.02 -1.02 -0.27 113.55 110.77 3nfe h SER 30 Ca 0.40 0.14 0.18 0.00 -0.84 0.00 0.00 61.79 61.67 3nfe h SER 30 Cb 0.16 0.44 -0.10 0.00 0.14 0.00 0.00 62.40 63.05 3nfe h SER 30 CO -0.17 -0.45 0.62 0.03 -1.14 0.00 0.00 176.83 175.71 3nfe h ARG 31 N -0.58 0.75 0.20 3.45 3.08 -0.76 -1.32 114.38 119.20 3nfe h ARG 31 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3nfe h ARG 31 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3nfe h ARG 31 CO -0.26 0.49 -0.10 1.98 -1.07 0.00 0.00 179.97 181.01 3nfe h MET 32 N 0.77 -0.26 0.00 0.04 4.05 0.10 -0.55 114.93 119.08 3nfe h MET 32 Ca 0.56 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.97 3nfe h MET 32 Cb 0.86 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 3nfe h MET 32 CO -0.34 0.06 -0.13 -0.84 0.23 0.00 0.00 176.91 175.88 3nfe h ILE 33 N -0.61 1.03 0.08 1.77 3.07 -0.84 0.41 117.51 122.42 3nfe h ILE 33 Ca -0.03 -0.46 -0.31 0.00 1.55 0.00 0.00 64.86 65.61 3nfe h ILE 33 Cb 0.44 1.25 -0.02 0.00 -0.27 0.00 0.00 36.82 38.22 3nfe h ILE 33 CO 0.05 0.13 -1.66 0.58 -1.05 0.00 0.00 178.15 176.19 3nfe h VAL 34 N 0.00 0.97 0.04 0.16 2.07 -1.18 -3.33 116.25 114.98 3nfe h VAL 34 Ca -0.00 -2.69 -0.33 0.00 0.82 0.00 0.00 66.70 64.49 3nfe h VAL 34 Cb 0.24 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 3nfe h VAL 34 CO 0.02 0.75 -1.95 0.52 0.02 0.00 0.00 177.57 176.92 3nfe n VAL 35 N -3.33 1.63 -3.65 2.57 0.31 -0.22 -4.52 118.33 111.12 3nfe n VAL 35 Ca -0.19 -0.74 -0.32 0.00 -0.01 0.00 0.00 64.34 63.08 3nfe n VAL 35 Cb 1.04 -1.24 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 3nfe n VAL 35 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3nfe n TYR 36 N -3.18 3.65 -0.14 3.52 4.02 0.14 -4.92 117.16 120.26 3nfe n TYR 36 Ca -0.26 -4.11 0.07 0.00 -0.01 0.00 0.00 57.90 53.60 3nfe n TYR 36 Cb 1.06 -0.85 0.39 0.00 -0.02 0.00 0.00 39.34 39.92 3nfe n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3nfe h PRO 37 N 5.37 0.64 -1.04 -0.72 0.11 -1.73 0.16 132.00 134.78 3nfe h PRO 37 Ca 0.17 -0.04 0.28 0.00 0.11 0.00 0.00 66.00 66.52 3nfe h PRO 37 Cb 0.75 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.64 3nfe h PRO 37 CO 0.84 0.42 0.71 -0.56 -0.21 0.00 0.00 178.00 179.19 3nfe h GLN 38 N 0.65 0.23 0.00 1.05 -0.00 -1.91 -0.34 115.11 114.80 3nfe h GLN 38 Ca 0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 3nfe h GLN 38 Cb 0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 3nfe h GLN 38 CO -0.09 0.15 0.00 0.25 -0.00 0.00 0.00 178.83 179.14 3nfe n THR 39 N -4.45 1.02 0.26 1.86 -2.24 0.04 -2.59 114.28 108.18 3nfe n THR 39 Ca 0.24 0.35 0.15 0.00 -2.27 0.00 0.00 64.05 62.52 3nfe n THR 39 Cb 0.97 -1.26 0.68 0.00 -2.10 0.00 0.00 70.33 68.61 3nfe n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3nfe h LYS 40 N 0.00 0.00 -0.65 -0.78 1.57 -1.24 -2.90 116.57 112.57 3nfe h LYS 40 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 3nfe h LYS 40 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3nfe h LYS 40 CO 0.00 0.09 0.46 -0.84 -0.57 0.00 0.00 179.45 178.59 3nfe h ILE 41 N 0.00 0.70 0.00 1.86 -0.00 -1.71 0.56 117.51 118.91 3nfe h ILE 41 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 3nfe h ILE 41 Cb 0.50 0.64 0.00 0.00 -0.00 0.00 0.00 36.82 37.96 3nfe h ILE 41 CO 0.01 0.01 0.00 1.88 -0.00 0.00 0.00 178.15 180.05 3nfe h TYR 42 N 0.05 0.00 -0.28 0.16 0.05 -1.77 -2.93 116.97 112.24 3nfe h TYR 42 Ca 0.31 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.03 3nfe h TYR 42 Cb 1.17 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 3nfe h TYR 42 CO -0.00 0.00 -0.01 1.19 -1.05 0.00 0.00 178.16 178.29 3nfe n PHE 43 N -2.59 0.96 0.35 4.88 3.72 0.19 -4.53 117.46 120.44 3nfe n PHE 43 Ca 0.03 -1.12 0.12 0.00 -0.05 0.00 0.00 57.45 56.43 3nfe n PHE 43 Cb 0.33 -0.37 0.53 0.00 -0.94 0.00 0.00 39.48 39.04 3nfe n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3nfe h SER 44 N 1.42 0.00 0.65 4.37 4.64 -1.28 -1.88 113.55 121.47 3nfe h SER 44 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3nfe h SER 44 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3nfe h SER 44 CO 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 3nfe n HIS 45 N -2.31 0.00 -3.63 4.77 1.44 -1.26 -4.65 115.22 109.57 3nfe n HIS 45 Ca 0.01 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.48 3nfe n HIS 45 Cb 0.20 -0.41 -0.02 0.00 0.12 0.00 0.00 29.99 29.87 3nfe n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3nfe s TRP 46 N -2.82 3.48 -2.17 -1.40 0.51 -0.71 -5.04 118.94 110.78 3nfe s TRP 46 Ca 0.16 0.26 0.24 0.00 -2.12 0.00 0.00 56.10 54.64 3nfe s TRP 46 Cb 0.15 -1.80 0.34 0.00 -0.81 0.00 0.00 33.47 31.36 3nfe s TRP 46 CO 0.40 0.29 1.32 -0.35 -0.51 0.00 0.00 176.95 178.09 3nfe n PRO 47 N -1.32 1.35 -2.96 4.98 -0.04 -1.26 -4.72 135.00 131.02 3nfe n PRO 47 Ca -0.06 -1.02 -0.14 0.00 -0.04 0.00 0.00 63.50 62.25 3nfe n PRO 47 Cb 0.56 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 3nfe n PRO 47 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3nfe n ASP 48 N 0.06 0.17 -4.53 3.54 5.75 -1.26 -5.03 116.55 115.25 3nfe n ASP 48 Ca 0.12 -3.04 -0.29 0.00 -0.01 0.00 0.00 54.79 51.57 3nfe n ASP 48 Cb 0.45 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.46 3nfe n ASP 48 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3nfe n VAL 49 N 0.16 1.93 -4.26 2.12 0.31 -1.26 -4.85 118.33 112.48 3nfe n VAL 49 Ca 0.16 -2.00 -0.21 0.00 -0.01 0.00 0.00 64.34 62.29 3nfe n VAL 49 Cb 0.71 -2.18 -0.12 0.00 -0.91 0.00 0.00 33.84 31.35 3nfe n VAL 49 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3nfe s THR 50 N 10.71 1.52 0.34 2.52 -4.23 -1.26 -5.03 115.64 120.21 3nfe s THR 50 Ca 0.68 -1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 59.26 3nfe s THR 50 Cb 0.00 -1.53 -0.12 0.00 1.34 0.00 0.00 72.50 72.19 3nfe s THR 50 CO 0.14 -0.26 1.27 -0.81 -0.54 0.00 0.00 174.62 174.42 3nfe n PRO 51 N 0.77 2.07 -0.74 3.99 -0.04 -1.26 -2.14 135.00 137.65 3nfe n PRO 51 Ca -0.17 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3nfe n PRO 51 Cb 0.55 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 3nfe n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nfe n GLY 52 N 0.81 0.00 3.23 0.55 0.00 -1.26 -4.93 105.19 103.60 3nfe n GLY 52 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3nfe n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nfe n SER 53 N -0.37 -3.76 -0.18 1.61 3.41 -0.91 -4.53 113.62 108.89 3nfe n SER 53 Ca 0.00 0.33 -0.01 0.00 -0.26 0.00 0.00 58.87 58.93 3nfe n SER 53 Cb 0.29 -0.99 0.06 0.00 -0.26 0.00 0.00 64.21 63.32 3nfe n SER 53 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3nfe h PRO 54 N -1.04 0.05 -0.07 4.33 0.11 -1.91 -1.33 132.00 132.14 3nfe h PRO 54 Ca -0.44 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.45 3nfe h PRO 54 Cb 1.31 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.42 3nfe h PRO 54 CO 0.31 0.03 -0.84 -0.91 -0.21 0.00 0.00 178.00 176.38 3nfe h ASN 55 N 0.05 0.71 -0.89 -2.05 2.35 -1.93 -3.28 115.58 110.54 3nfe h ASN 55 Ca 0.28 -0.50 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3nfe h ASN 55 Cb 0.44 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3nfe h ASN 55 CO -0.53 1.29 0.59 0.40 -1.65 0.00 0.00 177.43 177.52 3nfe h ILE 56 N 0.37 1.22 0.00 2.81 1.08 -1.67 -0.27 117.51 121.05 3nfe h ILE 56 Ca -0.06 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 3nfe h ILE 56 Cb 1.46 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 3nfe h ILE 56 CO 0.16 0.22 -0.01 0.11 -0.69 0.00 0.00 178.15 177.93 3nfe h LYS 57 N 1.19 0.00 0.00 2.37 1.57 -1.33 -2.62 116.57 117.74 3nfe h LYS 57 Ca 0.33 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3nfe h LYS 57 Cb -0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3nfe h LYS 57 CO -0.08 0.01 -0.20 0.00 -0.57 0.00 0.00 179.45 178.61 3nfe h ALA 58 N 1.99 0.03 0.00 3.86 0.00 -1.14 -2.87 119.26 121.12 3nfe h ALA 58 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3nfe h ALA 58 Cb 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3nfe h ALA 58 CO 0.00 0.14 -0.06 1.25 0.00 0.00 0.00 179.25 180.58 3nfe h HIS 59 N -1.00 0.00 0.13 0.00 -0.00 -1.42 -0.24 115.15 112.62 3nfe h HIS 59 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 3nfe h HIS 59 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 3nfe h HIS 59 CO 0.09 0.06 -0.06 0.78 -0.00 0.00 0.00 177.93 178.80 3nfe h GLY 60 N 0.24 -0.18 0.70 5.26 0.00 -1.57 0.65 103.07 108.18 3nfe h GLY 60 Ca -0.00 0.07 0.14 0.00 0.00 0.00 0.00 47.33 47.53 3nfe h GLY 60 CO 0.01 -0.06 0.51 0.50 0.00 0.00 0.00 176.54 177.50 3nfe h LYS 61 N -0.28 0.50 0.23 4.80 1.57 -1.13 -1.46 116.57 120.79 3nfe h LYS 61 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3nfe h LYS 61 Cb 0.23 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3nfe h LYS 61 CO 0.03 0.33 -0.11 0.87 -0.57 0.00 0.00 179.45 180.00 3nfe h LYS 62 N 0.51 -0.30 -0.74 3.15 1.57 0.24 -2.66 116.57 118.35 3nfe h LYS 62 Ca 0.38 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 3nfe h LYS 62 Cb 0.74 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 3nfe h LYS 62 CO -0.14 -0.07 0.31 0.28 -0.57 0.00 0.00 179.45 179.27 3nfe h VAL 63 N -0.49 1.25 0.00 0.50 2.07 0.13 -1.85 116.25 117.86 3nfe h VAL 63 Ca -0.03 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3nfe h VAL 63 Cb 0.37 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3nfe h VAL 63 CO 0.05 0.31 0.00 0.24 0.02 0.00 0.00 177.57 178.19 3nfe h MET 64 N 1.06 0.00 -0.08 1.57 2.86 -1.46 -1.18 114.93 117.70 3nfe h MET 64 Ca 0.25 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 3nfe h MET 64 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3nfe h MET 64 CO -0.02 0.00 -0.33 0.78 1.06 0.00 0.00 176.91 178.40 3nfe h GLY 65 N 2.86 0.16 2.00 8.32 0.00 -0.97 -1.16 103.07 114.28 3nfe h GLY 65 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 3nfe h GLY 65 CO 0.00 0.12 -0.63 -1.33 0.00 0.00 0.00 176.54 174.70 3nfe h GLY 66 N 1.06 0.00 1.15 4.60 0.00 -0.93 -1.73 103.07 107.23 3nfe h GLY 66 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.11 3nfe h GLY 66 CO 0.05 0.00 -0.89 -2.22 0.00 0.00 0.00 176.54 173.48 3nfe h ILE 67 N 0.00 1.29 -0.34 2.60 1.08 -1.03 -1.55 117.51 119.55 3nfe h ILE 67 Ca -0.01 -2.10 -0.14 0.00 -0.39 0.00 0.00 64.86 62.22 3nfe h ILE 67 Cb 1.34 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 37.31 3nfe h ILE 67 CO 0.08 0.65 -0.36 0.00 -0.69 0.00 0.00 178.15 177.83 3nfe h ALA 68 N 0.46 0.71 -0.76 1.87 0.00 -1.22 0.15 119.26 120.46 3nfe h ALA 68 Ca -0.09 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3nfe h ALA 68 Cb 1.53 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 3nfe h ALA 68 CO 0.18 0.66 0.49 1.25 0.00 0.00 0.00 179.25 181.83 3nfe h LEU 69 N 0.66 0.83 -1.17 0.00 5.85 -1.34 -1.83 115.31 118.31 3nfe h LEU 69 Ca 0.06 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3nfe h LEU 69 Cb 0.92 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3nfe h LEU 69 CO 0.08 0.58 0.19 0.00 -0.34 0.00 0.00 178.44 178.95 3nfe h ALA 70 N 1.31 1.34 -0.59 1.25 0.00 -0.81 -1.07 119.26 120.68 3nfe h ALA 70 Ca 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3nfe h ALA 70 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3nfe h ALA 70 CO -0.09 0.49 0.19 0.28 0.00 0.00 0.00 179.25 180.11 3nfe h VAL 71 N 0.76 1.24 0.00 0.00 2.07 -0.43 -1.31 116.25 118.58 3nfe h VAL 71 Ca 0.18 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3nfe h VAL 71 Cb 0.19 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3nfe h VAL 71 CO -0.01 0.31 0.00 -1.54 0.02 0.00 0.00 177.57 176.34 3nfe n SER 72 N -4.41 0.62 -0.64 0.57 3.41 -0.72 -2.47 113.62 109.96 3nfe n SER 72 Ca 0.03 0.62 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 3nfe n SER 72 Cb 0.20 -0.76 0.17 0.00 -0.26 0.00 0.00 64.21 63.57 3nfe n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3nfe n LYS 73 N -2.14 2.85 0.12 4.33 4.76 -0.49 -4.80 118.16 122.79 3nfe n LYS 73 Ca 0.03 -2.26 0.05 0.00 -2.87 0.00 0.00 58.31 53.27 3nfe n LYS 73 Cb 0.29 -1.43 0.29 0.00 -1.84 0.00 0.00 35.03 32.34 3nfe n LYS 73 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3nfe n ILE 74 N 0.05 0.86 0.84 -0.18 3.06 -0.53 -0.07 119.36 123.39 3nfe n ILE 74 Ca 0.14 0.68 0.12 0.00 -2.50 0.00 0.00 62.75 61.18 3nfe n ILE 74 Cb 0.56 -1.68 0.18 0.00 0.54 0.00 0.00 39.64 39.24 3nfe n ILE 74 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3nfe n ASP 75 N -1.89 0.58 -2.80 9.51 8.00 -1.26 -4.46 116.55 124.23 3nfe n ASP 75 Ca -0.01 -0.21 -0.08 0.00 0.71 0.00 0.00 54.79 55.20 3nfe n ASP 75 Cb 0.24 0.36 0.02 0.00 -0.02 0.00 0.00 41.12 41.72 3nfe n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3nfe n ASP 76 N -1.70 -2.84 -0.34 -2.24 -0.08 0.90 -5.00 116.55 105.24 3nfe n ASP 76 Ca 0.04 -3.11 -0.03 0.00 -1.51 0.00 0.00 54.79 50.18 3nfe n ASP 76 Cb 0.37 1.59 0.10 0.00 2.34 0.00 0.00 41.12 45.53 3nfe n ASP 76 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3nfe h LEU 77 N 4.39 1.12 0.00 -2.67 3.38 -1.70 0.14 115.31 119.98 3nfe h LEU 77 Ca -0.05 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3nfe h LEU 77 Cb 1.04 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3nfe h LEU 77 CO 0.23 0.87 -0.29 0.50 0.09 0.00 0.00 178.44 179.84 3nfe h LYS 78 N 1.28 -0.43 -0.17 1.13 3.64 -1.91 0.36 116.57 120.47 3nfe h LYS 78 Ca 0.33 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 3nfe h LYS 78 Cb -0.03 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3nfe h LYS 78 CO -0.06 -0.29 -0.45 1.15 -2.27 0.00 0.00 179.45 177.53 3nfe h THR 79 N -0.44 1.32 0.00 1.00 2.02 -1.87 -3.04 112.91 111.90 3nfe h THR 79 Ca 0.06 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 3nfe h THR 79 Cb 0.53 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3nfe h THR 79 CO -0.25 0.50 -0.11 1.23 0.37 0.00 0.00 175.52 177.26 3nfe h GLY 80 N 1.16 0.00 -1.12 2.16 0.00 0.32 -3.06 103.07 102.53 3nfe h GLY 80 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3nfe h GLY 80 CO 0.08 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.65 3nfe n LEU 81 N -3.65 3.41 -0.18 3.11 4.77 0.12 -4.69 117.00 119.88 3nfe n LEU 81 Ca -0.02 -3.11 0.08 0.00 -0.03 0.00 0.00 56.01 52.93 3nfe n LEU 81 Cb 0.23 -0.52 0.37 0.00 -2.33 0.00 0.00 43.42 41.18 3nfe n LEU 81 CO 0.30 0.74 1.21 0.24 -1.33 0.00 0.00 177.39 178.55 3nfe h MET 82 N 1.18 0.69 0.12 3.23 0.00 -1.44 0.66 114.93 119.37 3nfe h MET 82 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 59.70 59.67 3nfe h MET 82 Cb 1.32 -0.16 0.00 0.00 0.00 0.00 0.00 31.60 32.76 3nfe h MET 82 CO 0.16 0.46 -0.06 0.93 0.00 0.00 0.00 176.91 178.40 3nfe h GLU 83 N 0.71 -0.16 -0.85 1.72 3.07 -1.86 -1.33 114.58 115.88 3nfe h GLU 83 Ca 0.32 0.01 0.16 0.00 -0.50 0.00 0.00 59.36 59.35 3nfe h GLU 83 Cb 0.34 0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 28.19 3nfe h GLU 83 CO -0.11 0.26 0.43 1.25 -1.40 0.00 0.00 179.01 179.44 3nfe h LEU 84 N -0.65 0.49 -0.38 1.33 5.85 -1.73 -1.91 115.31 118.31 3nfe h LEU 84 Ca -0.02 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3nfe h LEU 84 Cb 0.50 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3nfe h LEU 84 CO 0.03 0.18 0.01 -1.28 -0.34 0.00 0.00 178.44 177.04 3nfe h SER 85 N 0.58 0.66 0.03 1.25 0.87 -0.86 -2.68 113.55 113.41 3nfe h SER 85 Ca 0.48 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3nfe h SER 85 Cb 0.72 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3nfe h SER 85 CO -0.39 0.80 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.62 3nfe h GLU 86 N 0.50 0.00 0.16 2.24 4.57 -0.45 0.20 114.58 121.79 3nfe h GLU 86 Ca 0.11 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.07 3nfe h GLU 86 Cb 0.46 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3nfe h GLU 86 CO 0.02 0.01 -1.01 0.37 -1.18 0.00 0.00 179.01 177.22 3nfe h GLN 87 N 0.00 0.34 0.00 1.92 4.15 -1.13 -1.09 115.11 119.30 3nfe h GLN 87 Ca -0.00 -0.57 -0.14 0.00 0.77 0.00 0.00 58.65 58.71 3nfe h GLN 87 Cb 0.03 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3nfe h GLN 87 CO 0.00 1.27 -0.66 0.45 -1.93 0.00 0.00 178.83 177.97 3nfe h HIS 88 N -0.27 0.00 0.11 3.99 3.86 -1.22 0.46 115.15 122.07 3nfe h HIS 88 Ca -0.18 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 3nfe h HIS 88 Cb 1.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.22 3nfe h HIS 88 CO 0.18 0.66 -0.05 0.00 0.86 0.00 0.00 177.93 179.57 3nfe h ALA 89 N 1.34 -0.52 -0.01 2.45 0.00 -0.68 1.09 119.26 122.93 3nfe h ALA 89 Ca -0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3nfe h ALA 89 Cb 1.31 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.16 3nfe h ALA 89 CO 0.09 -0.51 -0.28 1.88 0.00 0.00 0.00 179.25 180.42 3nfe h TYR 90 N -0.25 0.30 0.08 0.00 0.99 -1.34 -3.22 116.97 113.53 3nfe h TYR 90 Ca -0.01 -0.16 -0.30 0.00 2.00 0.00 0.00 58.73 60.25 3nfe h TYR 90 Cb 0.11 -0.04 -0.02 0.00 1.00 0.00 0.00 36.73 37.78 3nfe h TYR 90 CO 0.09 0.95 -1.64 -0.22 -0.00 0.00 0.00 178.16 177.33 3nfe h LYS 91 N -0.44 0.17 0.01 4.88 3.64 -1.04 -3.42 116.57 120.38 3nfe h LYS 91 Ca -0.03 -0.30 -0.36 0.00 -1.27 0.00 0.00 60.65 58.69 3nfe h LYS 91 Cb 1.02 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 3nfe h LYS 91 CO 0.06 1.14 -2.24 1.28 -2.27 0.00 0.00 179.45 177.41 3nfe n LEU 92 N -3.89 1.05 -3.35 5.20 4.77 0.14 -5.00 117.00 115.93 3nfe n LEU 92 Ca -0.31 0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.58 3nfe n LEU 92 Cb 0.90 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 42.06 3nfe n LEU 92 CO 0.34 0.60 0.10 0.54 -1.33 0.00 0.00 177.39 177.65 3nfe n ARG 93 N -2.98 -5.85 -3.12 3.23 1.74 0.37 -4.96 116.66 105.09 3nfe n ARG 93 Ca -0.33 0.83 -0.40 0.00 -0.77 0.00 0.00 57.85 57.19 3nfe n ARG 93 Cb 1.09 -5.79 -0.06 0.00 -1.02 0.00 0.00 32.46 26.68 3nfe n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nfe s VAL 94 N -3.36 5.01 0.11 1.55 1.01 -1.08 -5.03 120.40 118.61 3nfe s VAL 94 Ca 0.07 1.14 -0.36 0.00 0.00 0.00 0.00 61.98 62.83 3nfe s VAL 94 Cb -0.01 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.28 3nfe s VAL 94 CO 0.72 0.07 1.43 -0.67 0.00 0.00 0.00 175.10 176.65 3nfe n ASP 95 N 5.39 2.20 0.27 3.32 -0.08 -1.26 -4.83 116.55 121.56 3nfe n ASP 95 Ca -0.01 1.10 0.16 0.00 -1.51 0.00 0.00 54.79 54.54 3nfe n ASP 95 Cb 0.49 -1.28 0.91 0.00 2.34 0.00 0.00 41.12 43.59 3nfe n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nfe h PRO 96 N 5.11 0.00 -0.89 -0.67 0.11 -1.98 -2.02 132.00 131.66 3nfe h PRO 96 Ca -0.47 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.82 3nfe h PRO 96 Cb 1.30 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.35 3nfe h PRO 96 CO 0.82 0.00 0.58 0.66 -0.21 0.00 0.00 178.00 179.85 3nfe h SER 97 N 0.00 0.52 0.92 -2.05 4.64 -2.01 0.13 113.55 115.70 3nfe h SER 97 Ca 0.03 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3nfe h SER 97 Cb 0.17 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3nfe h SER 97 CO -0.00 0.23 -0.15 0.78 -0.87 0.00 0.00 176.83 176.83 3nfe h ASN 98 N 0.53 0.00 -0.65 4.97 2.35 -1.73 -1.95 115.58 119.10 3nfe h ASN 98 Ca 0.46 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.19 3nfe h ASN 98 Cb 0.95 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 3nfe h ASN 98 CO -0.20 0.15 0.33 -0.26 -1.65 0.00 0.00 177.43 175.80 3nfe h PHE 99 N 0.00 0.95 0.19 1.19 0.04 -0.89 -0.54 116.94 117.88 3nfe h PHE 99 Ca -0.00 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3nfe h PHE 99 Cb 0.65 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3nfe h PHE 99 CO 0.00 0.69 -0.12 0.87 -0.60 0.00 0.00 178.31 179.14 3nfe h LYS 100 N 0.96 -0.29 -0.14 1.51 1.57 -1.36 -1.68 116.57 117.13 3nfe h LYS 100 Ca 0.24 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 3nfe h LYS 100 Cb 0.09 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3nfe h LYS 100 CO -0.03 -0.20 -0.27 0.82 -0.57 0.00 0.00 179.45 179.21 3nfe h ILE 101 N -0.30 0.37 -0.91 1.86 2.04 -1.25 -1.44 117.51 117.87 3nfe h ILE 101 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 3nfe h ILE 101 Cb 0.26 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 3nfe h ILE 101 CO 0.01 0.00 0.55 0.25 0.00 0.00 0.00 178.15 178.96 3nfe h LEU 102 N -0.33 0.79 -0.76 1.44 5.85 -0.95 -0.33 115.31 121.03 3nfe h LEU 102 Ca 0.10 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3nfe h LEU 102 Cb 0.49 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3nfe h LEU 102 CO -0.33 0.43 0.49 0.78 -0.34 0.00 0.00 178.44 179.47 3nfe h ASN 103 N 0.89 0.81 -0.17 1.25 2.35 -0.54 0.37 115.58 120.54 3nfe h ASN 103 Ca 0.45 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 56.04 3nfe h ASN 103 Cb 0.43 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3nfe h ASN 103 CO -0.26 0.56 -0.44 -0.74 -1.65 0.00 0.00 177.43 174.90 3nfe h HIS 104 N 0.96 0.88 -0.12 1.19 -0.00 -0.08 -1.93 115.15 116.03 3nfe h HIS 104 Ca 0.30 -0.28 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 3nfe h HIS 104 Cb -0.01 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 3nfe h HIS 104 CO -0.03 1.04 -0.14 0.00 -0.00 0.00 0.00 177.93 178.79 3nfe h ILE 106 N 0.19 1.28 -0.63 0.00 2.04 0.26 -1.82 117.51 118.82 3nfe h ILE 106 Ca 0.04 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 3nfe h ILE 106 Cb 0.38 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3nfe h ILE 106 CO 0.02 0.52 0.24 -0.07 0.00 0.00 0.00 178.15 178.86 3nfe h LEU 107 N 0.67 0.86 -0.30 1.44 3.38 -1.21 -1.79 115.31 118.35 3nfe h LEU 107 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3nfe h LEU 107 Cb 0.99 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3nfe h LEU 107 CO 0.10 0.78 -0.05 0.58 0.09 0.00 0.00 178.44 179.94 3nfe h VAL 108 N 0.91 1.27 0.10 1.22 2.07 -1.39 1.00 116.25 121.43 3nfe h VAL 108 Ca 0.21 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3nfe h VAL 108 Cb 0.20 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3nfe h VAL 108 CO -0.02 0.34 -0.07 0.58 0.02 0.00 0.00 177.57 178.42 3nfe h VAL 109 N 0.34 0.85 -0.41 2.57 2.07 -1.04 0.48 116.25 121.11 3nfe h VAL 109 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3nfe h VAL 109 Cb 0.52 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3nfe h VAL 109 CO 0.02 0.00 -0.03 0.40 0.02 0.00 0.00 177.57 177.98 3nfe h ILE 110 N -0.17 1.23 -0.51 4.57 2.04 -1.30 -0.23 117.51 123.15 3nfe h ILE 110 Ca -0.00 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 3nfe h ILE 110 Cb 0.15 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3nfe h ILE 110 CO -0.00 0.34 0.09 -1.28 0.00 0.00 0.00 178.15 177.30 3nfe h SER 111 N 0.64 0.75 0.12 1.72 0.87 -0.35 0.76 113.55 118.05 3nfe h SER 111 Ca 0.12 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3nfe h SER 111 Cb 0.44 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3nfe h SER 111 CO 0.02 0.76 -0.06 0.71 -0.53 0.00 0.00 176.83 177.74 3nfe h THR 112 N 0.76 1.06 0.00 2.23 1.35 -0.29 -3.20 112.91 114.82 3nfe h THR 112 Ca 0.16 -0.77 -0.15 0.00 -0.55 0.00 0.00 66.41 65.10 3nfe h THR 112 Cb 0.33 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 3nfe h THR 112 CO 0.00 0.18 -0.72 0.24 -0.25 0.00 0.00 175.52 174.98 3nfe h MET 113 N -0.52 0.00 -2.04 4.72 2.07 -0.84 -3.38 114.93 114.93 3nfe h MET 113 Ca -0.02 0.00 -0.50 0.00 -2.07 0.00 0.00 59.70 57.12 3nfe h MET 113 Cb 0.42 0.00 -0.40 0.00 -1.87 0.00 0.00 31.60 29.75 3nfe h MET 113 CO 0.03 0.72 -1.12 1.19 1.07 0.00 0.00 176.91 178.80 3nfe n PHE 114 N -3.68 0.75 -0.15 -0.22 3.72 0.26 -4.97 117.46 113.18 3nfe n PHE 114 Ca -0.01 -3.85 0.10 0.00 -0.05 0.00 0.00 57.45 53.65 3nfe n PHE 114 Cb 0.70 -0.43 0.43 0.00 -0.94 0.00 0.00 39.48 39.24 3nfe n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3nfe h PRO 115 N 3.00 0.56 -0.10 -1.08 0.13 -1.72 -0.71 132.00 132.08 3nfe h PRO 115 Ca 0.10 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.03 3nfe h PRO 115 Cb 0.90 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3nfe h PRO 115 CO 0.55 0.37 -0.65 0.87 -0.23 0.00 0.00 178.00 178.90 3nfe h LYS 116 N 0.57 0.38 -0.15 0.86 1.57 -1.93 -3.28 116.57 114.58 3nfe h LYS 116 Ca 0.32 -0.28 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 3nfe h LYS 116 Cb 0.48 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.85 3nfe h LYS 116 CO -0.11 0.90 -0.77 0.93 -0.57 0.00 0.00 179.45 179.83 3nfe h GLU 117 N 0.27 0.78 -3.97 3.15 3.07 -1.65 -3.37 114.58 112.86 3nfe h GLU 117 Ca -0.01 -0.63 -0.71 0.00 -0.50 0.00 0.00 59.36 57.50 3nfe h GLU 117 Cb 1.19 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 29.19 3nfe h GLU 117 CO 0.11 1.24 3.12 0.34 -1.40 0.00 0.00 179.01 182.42 3nfe n PHE 118 N -3.93 3.51 -1.76 4.33 7.35 -0.39 -4.73 117.46 121.83 3nfe n PHE 118 Ca -0.07 -2.98 -0.30 0.00 -0.76 0.00 0.00 57.45 53.34 3nfe n PHE 118 Cb 0.74 -2.54 0.05 0.00 0.35 0.00 0.00 39.48 38.08 3nfe n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nfe s THR 119 N 3.11 3.82 0.54 -2.13 -4.23 -1.26 -4.82 115.64 110.67 3nfe s THR 119 Ca 0.47 0.59 0.21 0.00 -1.18 0.00 0.00 61.69 61.79 3nfe s THR 119 Cb 0.14 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.81 3nfe s THR 119 CO -0.09 -0.77 2.11 -0.65 -0.54 0.00 0.00 174.62 174.68 3nfe h PRO 120 N -0.66 0.00 -0.21 3.99 0.11 -1.97 0.20 132.00 133.45 3nfe h PRO 120 Ca -0.45 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 3nfe h PRO 120 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3nfe h PRO 120 CO 0.61 0.00 -0.56 0.93 -0.21 0.00 0.00 178.00 178.77 3nfe h GLU 121 N 0.00 0.66 -0.17 1.05 3.07 -1.96 -1.56 114.58 115.67 3nfe h GLU 121 Ca 0.08 -0.43 -0.04 0.00 -0.50 0.00 0.00 59.36 58.47 3nfe h GLU 121 Cb 0.33 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3nfe h GLU 121 CO -0.00 1.04 -0.07 0.00 -1.40 0.00 0.00 179.01 178.58 3nfe h ALA 122 N 0.87 1.56 0.37 3.43 0.00 -1.19 -3.14 119.26 121.16 3nfe h ALA 122 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3nfe h ALA 122 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3nfe h ALA 122 CO 0.11 0.32 -0.18 1.25 0.00 0.00 0.00 179.25 180.75 3nfe h HIS 123 N 0.25 -0.46 -0.82 0.00 6.17 -0.33 -0.65 115.15 119.32 3nfe h HIS 123 Ca 0.06 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.15 3nfe h HIS 123 Cb 0.30 0.15 -0.05 0.00 2.52 0.00 0.00 27.41 30.34 3nfe h HIS 123 CO 0.01 -0.15 0.53 -0.24 0.71 0.00 0.00 177.93 178.78 3nfe h VAL 124 N -1.00 1.15 -0.15 5.26 3.04 -1.34 0.46 116.25 123.69 3nfe h VAL 124 Ca -0.05 -0.36 -0.17 0.00 -1.01 0.00 0.00 66.70 65.11 3nfe h VAL 124 Cb 0.52 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 29.81 3nfe h VAL 124 CO 0.08 0.19 -0.62 0.28 -1.01 0.00 0.00 177.57 176.49 3nfe h SER 125 N 1.05 0.59 -0.38 3.17 0.02 -1.61 -1.15 113.55 115.24 3nfe h SER 125 Ca 0.32 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3nfe h SER 125 Cb -0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3nfe h SER 125 CO -0.10 1.07 -0.07 0.25 -1.14 0.00 0.00 176.83 176.84 3nfe h LEU 126 N 0.38 0.79 -0.86 5.07 5.85 -0.28 -1.47 115.31 124.79 3nfe h LEU 126 Ca -0.01 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 3nfe h LEU 126 Cb 1.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3nfe h LEU 126 CO 0.11 0.90 -0.54 -0.78 -0.34 0.00 0.00 178.44 177.79 3nfe h ASP 127 N 0.74 0.00 -0.37 1.25 3.58 0.07 -0.66 116.42 121.03 3nfe h ASP 127 Ca 0.13 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 3nfe h ASP 127 Cb 0.55 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3nfe h ASP 127 CO 0.03 0.54 -0.12 0.11 -2.88 0.00 0.00 179.24 176.92 3nfe h LYS 128 N 0.00 0.74 -0.30 0.28 1.57 -0.96 -2.30 116.57 115.59 3nfe h LYS 128 Ca -0.01 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 3nfe h LYS 128 Cb 1.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3nfe h LYS 128 CO 0.07 0.90 -0.11 0.35 -0.57 0.00 0.00 179.45 180.09 3nfe h PHE 129 N 0.54 0.69 0.00 -1.35 3.57 -0.98 -1.24 116.94 118.17 3nfe h PHE 129 Ca 0.09 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 3nfe h PHE 129 Cb 0.65 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3nfe h PHE 129 CO 0.05 0.82 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.41 3nfe h LEU 130 N 0.37 0.00 -0.63 0.59 3.38 -1.13 0.20 115.31 118.09 3nfe h LEU 130 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 3nfe h LEU 130 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3nfe h LEU 130 CO 0.04 0.47 -0.55 0.28 0.09 0.00 0.00 178.44 178.77 3nfe h SER 131 N 0.00 0.42 -0.87 -0.43 0.02 -1.38 -2.11 113.55 109.20 3nfe h SER 131 Ca -0.00 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3nfe h SER 131 Cb 0.88 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 3nfe h SER 131 CO 0.06 0.88 0.53 1.23 -1.14 0.00 0.00 176.83 178.39 3nfe h GLY 132 N 1.27 1.26 0.73 -3.77 0.00 0.24 -2.60 103.07 100.19 3nfe h GLY 132 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 3nfe h GLY 132 CO 0.09 0.50 -0.19 -2.08 0.00 0.00 0.00 176.54 174.87 3nfe h VAL 133 N 1.20 1.37 -0.89 4.60 2.07 -0.47 -2.86 116.25 121.27 3nfe h VAL 133 Ca 0.31 -1.42 0.18 0.00 0.82 0.00 0.00 66.70 66.59 3nfe h VAL 133 Cb -0.06 1.99 -0.11 0.00 -1.52 0.00 0.00 31.29 31.60 3nfe h VAL 133 CO -0.06 0.41 0.45 0.00 0.02 0.00 0.00 177.57 178.39 3nfe h ALA 134 N 0.56 1.39 -0.06 1.67 0.00 -1.26 0.48 119.26 122.04 3nfe h ALA 134 Ca 0.01 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3nfe h ALA 134 Cb 0.75 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3nfe h ALA 134 CO 0.04 -0.17 -0.62 1.25 0.00 0.00 0.00 179.25 179.76 3nfe h LEU 135 N 0.57 0.25 -0.67 0.00 5.85 -1.43 -1.14 115.31 118.74 3nfe h LEU 135 Ca 0.51 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3nfe h LEU 135 Cb 0.82 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3nfe h LEU 135 CO -0.42 0.80 0.18 0.00 -0.34 0.00 0.00 178.44 178.66 3nfe h ALA 136 N 1.20 0.88 -0.28 1.25 0.00 -0.93 -2.27 119.26 119.10 3nfe h ALA 136 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3nfe h ALA 136 Cb 1.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3nfe h ALA 136 CO 0.09 0.58 -0.22 -0.07 0.00 0.00 0.00 179.25 179.64 3nfe h LEU 137 N 0.98 0.52 -0.80 0.00 3.38 -0.64 -2.28 115.31 116.47 3nfe h LEU 137 Ca 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3nfe h LEU 137 Cb 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3nfe h LEU 137 CO -0.00 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.27 3nfe h ALA 138 N 1.30 1.00 -0.96 1.53 0.00 -0.95 -3.38 119.26 117.80 3nfe h ALA 138 Ca 0.07 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.18 3nfe h ALA 138 Cb 0.63 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.24 3nfe h ALA 138 CO 0.05 0.00 -0.22 -1.91 0.00 0.00 0.00 179.25 177.17 3nfe n GLU 139 N -2.47 -0.09 -1.03 0.00 0.00 -0.86 0.33 120.64 116.53 3nfe n GLU 139 Ca 0.02 1.49 -0.09 0.00 0.00 0.00 0.00 57.16 58.58 3nfe n GLU 139 Cb 0.27 -2.24 0.28 0.00 0.00 0.00 0.00 31.44 29.75 3nfe n GLU 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3nfe n ARG 140 N -5.55 3.43 0.02 5.31 5.12 -1.26 -4.48 116.66 119.24 3nfe n ARG 140 Ca 0.16 -2.95 -0.18 0.00 -1.93 0.00 0.00 57.85 52.95 3nfe n ARG 140 Cb 0.50 -2.18 -0.12 0.00 -1.16 0.00 0.00 32.46 29.49 3nfe n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3nfe h TYR 141 N 2.34 0.53 0.00 -1.55 -1.99 -0.40 -3.44 116.97 112.48 3nfe h TYR 141 Ca 0.32 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3nfe h TYR 141 Cb 2.38 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 41.07 3nfe h TYR 141 CO 1.30 1.19 0.00 2.89 -0.00 0.00 0.00 178.16 183.54