#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfe n ASN 2 N 0.00 0.00 -4.79 1.08 2.85 -1.26 -3.80 115.26 109.33 1cfe n ASN 2 Ca 0.00 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.17 1cfe n ASN 2 Cb 0.00 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.11 1cfe n ASN 2 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1cfe s SER 3 N -0.40 4.61 0.17 1.20 0.01 -1.26 -4.94 113.70 113.10 1cfe s SER 3 Ca 0.00 1.48 -0.14 0.00 1.31 0.00 0.00 55.95 58.59 1cfe s SER 3 Cb 0.00 -2.24 0.10 0.00 0.21 0.00 0.00 66.02 64.09 1cfe s SER 3 CO 0.00 -1.91 1.79 1.55 0.41 0.00 0.00 173.24 175.07 1cfe h PRO 4 N -1.05 0.46 -0.38 12.44 0.13 -2.01 -1.88 132.00 139.71 1cfe h PRO 4 Ca -0.46 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1cfe h PRO 4 Cb 1.25 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1cfe h PRO 4 CO 0.57 0.30 0.39 -0.56 -0.23 0.00 0.00 178.00 178.48 1cfe h GLN 5 N 0.47 0.00 -0.29 0.86 3.07 -1.96 0.95 115.11 118.21 1cfe h GLN 5 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.79 1cfe h GLN 5 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 1cfe h GLN 5 CO -0.13 0.00 -0.41 -0.44 0.09 0.00 0.00 178.83 177.94 1cfe h ASP 6 N 0.00 0.75 0.01 0.06 3.32 -1.70 0.18 116.42 119.04 1cfe h ASP 6 Ca 0.18 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1cfe h ASP 6 Cb 0.97 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1cfe h ASP 6 CO -0.00 1.07 -0.11 0.22 -1.72 0.00 0.00 179.24 178.70 1cfe h TYR 7 N 0.57 0.09 -0.36 4.55 5.03 -1.03 -3.32 116.97 122.50 1cfe h TYR 7 Ca 0.04 -0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 1cfe h TYR 7 Cb 0.95 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 1cfe h TYR 7 CO 0.05 0.93 0.07 -0.07 -1.32 0.00 0.00 178.16 177.82 1cfe h LEU 8 N -0.78 0.50 0.54 2.82 3.38 -0.91 -2.05 115.31 118.80 1cfe h LEU 8 Ca -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1cfe h LEU 8 Cb 0.97 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1cfe h LEU 8 CO 0.02 0.52 -0.47 0.00 0.09 0.00 0.00 178.44 178.60 1cfe h ALA 9 N 1.55 -1.08 -0.94 1.53 0.00 -0.79 0.57 119.26 120.10 1cfe h ALA 9 Ca 0.12 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1cfe h ALA 9 Cb 0.24 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1cfe h ALA 9 CO 0.00 -1.14 0.61 0.28 0.00 0.00 0.00 179.25 179.00 1cfe h VAL 10 N -0.99 1.10 -0.08 0.00 2.07 -1.58 0.23 116.25 116.98 1cfe h VAL 10 Ca -0.06 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1cfe h VAL 10 Cb 0.85 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1cfe h VAL 10 CO -0.03 0.20 -0.08 0.45 0.02 0.00 0.00 177.57 178.14 1cfe h HIS 11 N 1.11 -0.19 -0.34 1.57 -0.00 -1.12 0.03 115.15 116.20 1cfe h HIS 11 Ca 0.40 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.72 1cfe h HIS 11 Cb 0.14 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1cfe h HIS 11 CO -0.00 -0.12 -0.00 -0.91 -0.00 0.00 0.00 177.93 176.89 1cfe h ASN 12 N -0.10 0.59 -0.29 2.45 2.35 0.85 -0.21 115.58 121.23 1cfe h ASN 12 Ca 0.06 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1cfe h ASN 12 Cb 0.19 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1cfe h ASN 12 CO -0.14 0.76 -0.30 -0.78 -1.65 0.00 0.00 177.43 175.31 1cfe h ASP 13 N 0.41 -1.04 -0.55 5.81 1.82 -0.58 0.50 116.42 122.79 1cfe h ASP 13 Ca 0.10 0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.91 1cfe h ASP 13 Cb 0.46 0.43 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 1cfe h ASP 13 CO 0.02 -0.20 0.32 0.00 -1.61 0.00 0.00 179.24 177.77 1cfe h ALA 14 N -0.53 0.71 -0.39 -0.78 0.00 -0.88 0.13 119.26 117.52 1cfe h ALA 14 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cfe h ALA 14 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1cfe h ALA 14 CO -0.36 0.02 0.24 0.00 0.00 0.00 0.00 179.25 179.15 1cfe h ARG 15 N 0.62 0.52 -0.36 0.00 3.08 -0.79 -2.07 114.38 115.39 1cfe h ARG 15 Ca 0.23 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1cfe h ARG 15 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1cfe h ARG 15 CO -0.12 0.36 0.09 0.00 -1.07 0.00 0.00 179.97 179.24 1cfe h ALA 16 N 1.73 0.47 0.00 0.04 0.00 0.24 0.39 119.26 122.14 1cfe h ALA 16 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cfe h ALA 16 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1cfe h ALA 16 CO -0.03 0.14 0.00 -0.56 0.00 0.00 0.00 179.25 178.80 1cfe h GLN 17 N 0.43 0.00 0.00 0.00 3.07 -0.23 -1.07 115.11 117.30 1cfe h GLN 17 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 1cfe h GLN 17 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1cfe h GLN 17 CO 0.00 0.00 -1.20 1.33 0.09 0.00 0.00 178.83 179.05 1cfe n VAL 18 N -2.59 0.00 -2.30 1.86 0.24 -1.11 -5.06 118.33 109.38 1cfe n VAL 18 Ca -0.01 -0.21 -0.03 0.00 -2.04 0.00 0.00 64.34 62.06 1cfe n VAL 18 Cb 0.12 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1cfe n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cfe n GLY 19 N 1.90 -0.97 3.24 7.63 0.00 0.12 -5.07 105.19 112.04 1cfe n GLY 19 Ca -0.01 0.49 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 1cfe n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cfe s VAL 20 N -2.28 1.38 0.91 1.61 1.01 -0.20 -5.01 120.40 117.82 1cfe s VAL 20 Ca 0.09 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.40 1cfe s VAL 20 Cb -0.03 -1.41 0.14 0.00 0.00 0.00 0.00 36.38 35.08 1cfe s VAL 20 CO 0.43 -0.27 1.09 -0.83 0.00 0.00 0.00 175.10 175.52 1cfe s GLY 21 N -2.12 1.63 0.13 4.51 0.00 -1.26 -4.60 107.32 105.61 1cfe s GLY 21 Ca 0.05 0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.85 1cfe s GLY 21 CO 0.03 0.58 0.16 -1.55 0.00 0.00 0.00 173.10 172.32 1cfe n PRO 22 N -4.01 -0.37 -3.92 2.90 -0.04 -1.26 -4.91 135.00 123.40 1cfe n PRO 22 Ca 0.08 -0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 1cfe n PRO 22 Cb 0.54 -0.18 -0.01 0.00 -0.04 0.00 0.00 33.50 33.81 1cfe n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cfe s MET 23 N -3.36 1.99 0.11 0.54 0.23 -1.26 -4.67 119.30 112.88 1cfe s MET 23 Ca 0.09 -1.43 0.01 0.00 -1.03 0.00 0.00 55.69 53.33 1cfe s MET 23 Cb -0.00 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 33.85 1cfe s MET 23 CO 0.07 -0.89 0.13 -1.13 -2.03 0.00 0.00 175.02 171.17 1cfe n SER 24 N -1.13 -0.36 -4.56 -1.18 3.41 -1.10 -5.05 113.62 103.65 1cfe n SER 24 Ca -0.04 -1.65 -0.43 0.00 -0.26 0.00 0.00 58.87 56.49 1cfe n SER 24 Cb 0.60 0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 65.22 1cfe n SER 24 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1cfe s TRP 25 N -3.57 2.96 -0.35 7.33 -0.11 -1.26 -2.41 118.94 121.53 1cfe s TRP 25 Ca 0.11 0.31 -0.26 0.00 1.22 0.00 0.00 56.10 57.48 1cfe s TRP 25 Cb 0.00 -3.83 0.01 0.00 -1.50 0.00 0.00 33.47 28.16 1cfe s TRP 25 CO 0.08 -1.04 0.91 0.34 -4.62 0.00 0.00 176.95 172.62 1cfe s ASP 26 N 2.19 6.70 0.41 5.86 -1.08 0.46 -4.92 116.67 126.29 1cfe s ASP 26 Ca 0.34 0.65 0.16 0.00 -0.52 0.00 0.00 52.55 53.18 1cfe s ASP 26 Cb -0.11 -2.46 0.88 0.00 -1.46 0.00 0.00 42.92 39.77 1cfe s ASP 26 CO 0.24 -0.80 1.88 0.00 0.52 0.00 0.00 175.17 177.01 1cfe h ALA 27 N 8.34 1.37 -0.20 3.66 0.00 -1.95 -0.72 119.26 129.76 1cfe h ALA 27 Ca -0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1cfe h ALA 27 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1cfe h ALA 27 CO 0.96 0.38 -0.03 -0.91 0.00 0.00 0.00 179.25 179.66 1cfe h ASN 28 N 0.00 0.37 -0.22 0.00 4.21 -1.96 0.71 115.58 118.69 1cfe h ASN 28 Ca -0.00 -0.34 0.02 0.00 1.21 0.00 0.00 56.30 57.19 1cfe h ASN 28 Cb 0.59 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.66 1cfe h ASN 28 CO 0.04 0.63 0.07 -0.07 -1.29 0.00 0.00 177.43 176.81 1cfe h LEU 29 N 0.11 0.08 -0.68 1.61 3.38 -1.82 0.29 115.31 118.29 1cfe h LEU 29 Ca 0.05 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1cfe h LEU 29 Cb 0.45 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1cfe h LEU 29 CO 0.02 0.08 0.36 0.00 0.09 0.00 0.00 178.44 178.99 1cfe h ALA 30 N 1.14 0.92 -0.16 1.53 0.00 -0.99 0.10 119.26 121.79 1cfe h ALA 30 Ca 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cfe h ALA 30 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1cfe h ALA 30 CO -0.10 0.01 0.09 0.66 0.00 0.00 0.00 179.25 179.91 1cfe h SER 31 N 0.65 0.20 -0.11 0.00 4.64 -0.40 -0.40 113.55 118.12 1cfe h SER 31 Ca 0.31 -0.08 0.04 0.00 -0.47 0.00 0.00 61.79 61.60 1cfe h SER 31 Cb 0.25 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 1cfe h SER 31 CO -0.21 0.22 -0.18 -0.09 -0.87 0.00 0.00 176.83 175.70 1cfe h ARG 32 N 0.16 -0.23 -0.21 4.77 9.65 -0.20 0.14 114.38 128.47 1cfe h ARG 32 Ca 0.06 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1cfe h ARG 32 Cb 0.06 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1cfe h ARG 32 CO -0.01 -0.15 0.10 0.00 2.80 0.00 0.00 179.97 182.71 1cfe h ALA 33 N 0.77 0.27 -0.64 2.80 0.00 -0.64 0.22 119.26 122.04 1cfe h ALA 33 Ca 0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1cfe h ALA 33 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1cfe h ALA 33 CO -0.24 -0.18 0.17 0.37 0.00 0.00 0.00 179.25 179.36 1cfe h GLN 34 N 0.21 1.01 -0.32 0.00 5.75 -0.86 0.31 115.11 121.21 1cfe h GLN 34 Ca 0.07 -0.24 0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1cfe h GLN 34 Cb 0.10 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 28.44 1cfe h GLN 34 CO -0.01 0.91 -0.17 -0.91 -2.65 0.00 0.00 178.83 176.00 1cfe h ASN 35 N 0.94 -0.58 0.14 -0.69 4.21 -0.41 0.12 115.58 119.30 1cfe h ASN 35 Ca 0.20 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 1cfe h ASN 35 Cb 0.34 0.31 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1cfe h ASN 35 CO -0.00 -0.21 -0.07 0.22 -1.29 0.00 0.00 177.43 176.08 1cfe h TYR 36 N -0.13 -0.18 -0.37 1.19 3.20 0.39 0.16 116.97 121.24 1cfe h TYR 36 Ca 0.17 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.09 1cfe h TYR 36 Cb 0.38 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 1cfe h TYR 36 CO -0.38 -0.05 0.05 0.00 -1.64 0.00 0.00 178.16 176.13 1cfe h ALA 37 N 0.60 0.38 0.24 1.82 0.00 -0.87 0.97 119.26 122.39 1cfe h ALA 37 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1cfe h ALA 37 Cb 0.20 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1cfe h ALA 37 CO 0.03 -0.36 -0.32 -0.91 0.00 0.00 0.00 179.25 177.69 1cfe h ASN 38 N 0.16 -0.90 -0.57 0.00 2.35 -0.18 0.30 115.58 116.74 1cfe h ASN 38 Ca 0.18 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1cfe h ASN 38 Cb 0.23 0.32 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1cfe h ASN 38 CO -0.26 -0.44 0.38 0.28 -1.65 0.00 0.00 177.43 175.74 1cfe h SER 39 N -0.62 0.66 1.08 5.81 0.02 -0.44 -0.74 113.55 119.32 1cfe h SER 39 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1cfe h SER 39 Cb 0.60 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1cfe h SER 39 CO -0.11 0.48 0.00 0.54 -1.14 0.00 0.00 176.83 176.60 1cfe n ARG 40 N -4.44 0.07 -0.19 3.45 5.12 0.32 -4.14 116.66 116.84 1cfe n ARG 40 Ca 0.06 0.08 -0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1cfe n ARG 40 Cb 0.05 -1.58 0.10 0.00 -1.16 0.00 0.00 32.46 29.87 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cfe h ALA 41 N 2.84 0.74 0.00 7.54 0.00 0.11 0.76 119.26 131.24 1cfe h ALA 41 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1cfe h ALA 41 Cb 0.54 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cfe h ALA 41 CO 0.00 -0.24 -0.08 0.78 0.00 0.00 0.00 179.25 179.72 1cfe h GLY 42 N 0.35 0.00 0.00 0.00 0.00 -1.74 -2.98 103.07 98.69 1cfe h GLY 42 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1cfe h GLY 42 CO -0.33 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.55 1cfe n ASP 43 N -3.35 0.66 -3.16 0.19 2.03 0.30 -4.75 116.55 108.48 1cfe n ASP 43 Ca -0.01 0.10 -0.15 0.00 0.52 0.00 0.00 54.79 55.25 1cfe n ASP 43 Cb 0.25 -0.19 0.07 0.00 -0.72 0.00 0.00 41.12 40.53 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfe h ASN 45 N -1.31 0.00 -6.23 0.00 -1.07 -1.98 -3.46 115.58 101.52 1cfe h ASN 45 Ca -0.55 0.00 -0.46 0.00 0.07 0.00 0.00 56.30 55.36 1cfe h ASN 45 Cb 1.30 0.00 -0.17 0.00 -2.07 0.00 0.00 38.32 37.38 1cfe h ASN 45 CO 0.43 0.17 -0.69 -0.11 0.07 0.00 0.00 177.43 177.30 1cfe n LEU 46 N -4.12 -1.46 -0.07 6.14 0.00 -1.26 -4.85 117.00 111.37 1cfe n LEU 46 Ca -0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 56.01 55.15 1cfe n LEU 46 Cb 0.25 -1.98 -0.08 0.00 0.00 0.00 0.00 43.42 41.60 1cfe n LEU 46 CO 0.35 0.21 -0.01 0.40 0.00 0.00 0.00 177.39 178.34 1cfe h ILE 47 N -1.16 0.97 -0.77 1.96 2.04 -2.04 -3.51 117.51 115.00 1cfe h ILE 47 Ca -0.50 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1cfe h ILE 47 Cb 1.33 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1cfe h ILE 47 CO 0.66 0.33 0.00 1.57 0.00 0.00 0.00 178.15 180.71 1cfe n HIS 48 N -4.60 0.00 -2.19 1.37 -0.00 -1.26 -4.97 115.22 103.56 1cfe n HIS 48 Ca -0.13 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.23 1cfe n HIS 48 Cb 0.40 -1.84 0.02 0.00 -0.00 0.00 0.00 29.99 28.57 1cfe n HIS 48 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1cfe n SER 49 N -0.10 6.71 0.00 0.26 3.41 -1.26 -5.00 113.62 117.64 1cfe n SER 49 Ca 0.00 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1cfe n SER 49 Cb 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1cfe n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cfe n GLY 50 N -0.45 -1.24 0.00 5.00 0.00 -1.26 -5.14 105.19 102.10 1cfe n GLY 50 Ca 0.48 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1cfe n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cfe n ALA 51 N 0.00 0.00 -1.60 4.61 0.00 -1.26 -4.73 120.51 117.52 1cfe n ALA 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1cfe n ALA 51 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1cfe n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cfe n GLY 52 N 5.00 0.91 3.54 0.00 0.00 -0.92 -4.90 105.19 108.81 1cfe n GLY 52 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1cfe n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cfe s GLU 53 N -3.48 1.40 -0.23 1.61 2.12 -1.26 -0.45 118.70 118.42 1cfe s GLU 53 Ca 0.00 -0.85 -0.15 0.00 0.36 0.00 0.00 54.97 54.32 1cfe s GLU 53 Cb 0.00 0.53 0.07 0.00 0.26 0.00 0.00 34.13 34.99 1cfe s GLU 53 CO 0.00 -0.60 0.58 0.54 -0.54 0.00 0.00 175.26 175.24 1cfe s ASN 54 N -2.87 -0.72 0.33 -1.70 4.22 -1.25 -4.99 114.94 107.96 1cfe s ASN 54 Ca 0.09 1.23 0.07 0.00 -2.14 0.00 0.00 52.86 52.11 1cfe s ASN 54 Cb -0.01 1.15 -0.02 0.00 1.28 0.00 0.00 41.25 43.65 1cfe s ASN 54 CO -0.03 -0.22 0.36 -0.76 -2.04 0.00 0.00 177.10 174.42 1cfe s LEU 55 N 1.16 3.79 0.05 3.54 1.43 -1.26 -3.75 118.68 123.63 1cfe s LEU 55 Ca -0.07 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1cfe s LEU 55 Cb -0.06 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1cfe s LEU 55 CO -0.11 -0.36 -0.18 0.00 0.23 0.00 0.00 176.35 175.93 1cfe s ALA 56 N -2.23 1.49 -0.06 4.21 0.00 -0.08 -5.00 121.76 120.08 1cfe s ALA 56 Ca 0.42 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 1cfe s ALA 56 Cb -0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1cfe s ALA 56 CO 0.28 0.31 0.09 -1.59 0.00 0.00 0.00 175.76 174.85 1cfe s LYS 57 N -1.21 3.19 0.00 0.00 -2.85 -1.26 -1.88 119.74 115.74 1cfe s LYS 57 Ca 0.05 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 1cfe s LYS 57 Cb -0.08 -2.96 0.00 0.00 -2.06 0.00 0.00 37.83 32.72 1cfe s LYS 57 CO 0.02 0.70 0.00 0.41 0.10 0.00 0.00 175.35 176.58 1cfe n GLY 58 N 1.62 0.72 0.00 0.59 0.00 0.05 -4.91 105.19 103.26 1cfe n GLY 58 Ca -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1cfe n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 59 N 4.79 -1.98 3.25 -0.02 0.00 -1.26 -4.75 105.19 105.21 1cfe n GLY 59 Ca 0.00 0.79 -0.26 0.00 0.00 0.00 0.00 46.02 46.55 1cfe n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cfe s GLY 60 N 0.00 1.11 -0.89 -0.02 0.00 -1.26 -4.40 107.32 101.86 1cfe s GLY 60 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1cfe s GLY 60 CO 0.00 -0.95 0.06 2.09 0.00 0.00 0.00 173.10 174.30 1cfe n ASP 61 N 1.96 -3.35 -4.64 1.64 5.68 -1.26 -4.82 116.55 111.76 1cfe n ASP 61 Ca -0.17 0.18 -0.43 0.00 -0.50 0.00 0.00 54.79 53.88 1cfe n ASP 61 Cb 0.53 -2.86 -0.03 0.00 -1.14 0.00 0.00 41.12 37.62 1cfe n ASP 61 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1cfe s PHE 62 N -2.54 2.18 0.47 2.11 2.19 -1.26 -4.97 117.98 116.15 1cfe s PHE 62 Ca 0.05 0.51 -0.15 0.00 0.33 0.00 0.00 56.93 57.66 1cfe s PHE 62 Cb -0.03 -3.89 -0.08 0.00 -1.31 0.00 0.00 43.02 37.71 1cfe s PHE 62 CO 0.06 -3.02 0.91 0.95 1.83 0.00 0.00 175.22 175.95 1cfe s THR 63 N 4.62 4.59 0.23 0.12 -4.23 -1.26 -4.94 115.64 114.77 1cfe s THR 63 Ca 0.69 1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 62.20 1cfe s THR 63 Cb -0.27 -3.71 0.20 0.00 1.34 0.00 0.00 72.50 70.07 1cfe s THR 63 CO 0.27 -0.58 1.88 1.23 -0.54 0.00 0.00 174.62 176.88 1cfe h GLY 64 N 1.17 1.23 0.37 3.99 0.00 -1.94 -2.39 103.07 105.50 1cfe h GLY 64 Ca -0.47 -0.42 0.09 0.00 0.00 0.00 0.00 47.33 46.52 1cfe h GLY 64 CO 0.62 0.37 0.16 -0.09 0.00 0.00 0.00 176.54 177.60 1cfe h ARG 65 N 1.09 0.30 -0.88 4.80 2.43 -1.82 -0.72 114.38 119.57 1cfe h ARG 65 Ca 0.33 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.66 1cfe h ARG 65 Cb -0.02 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 1cfe h ARG 65 CO -0.11 0.20 0.58 0.00 -1.51 0.00 0.00 179.97 179.13 1cfe h ALA 66 N 1.40 2.04 0.68 2.80 0.00 -1.82 0.09 119.26 124.45 1cfe h ALA 66 Ca 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1cfe h ALA 66 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cfe h ALA 66 CO -0.32 -0.31 -0.45 0.00 0.00 0.00 0.00 179.25 178.17 1cfe h ALA 67 N 1.61 -1.13 -0.59 0.00 0.00 -1.06 0.50 119.26 118.59 1cfe h ALA 67 Ca 0.46 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1cfe h ALA 67 Cb 0.97 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1cfe h ALA 67 CO -0.19 -1.15 0.39 0.28 0.00 0.00 0.00 179.25 178.57 1cfe h VAL 68 N -1.07 1.13 -0.06 0.00 2.07 -1.28 0.23 116.25 117.26 1cfe h VAL 68 Ca -0.09 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1cfe h VAL 68 Cb 0.88 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1cfe h VAL 68 CO 0.06 0.14 0.01 1.56 0.02 0.00 0.00 177.57 179.36 1cfe h GLN 69 N 0.78 0.09 -0.02 1.57 1.08 -0.85 0.15 115.11 117.90 1cfe h GLN 69 Ca 0.22 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.22 1cfe h GLN 69 Cb -0.06 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1cfe h GLN 69 CO -0.06 0.09 -0.74 1.25 -0.95 0.00 0.00 178.83 178.42 1cfe h LEU 70 N 0.09 0.69 -0.11 1.46 7.12 0.19 -2.21 115.31 122.54 1cfe h LEU 70 Ca 0.02 -0.73 0.01 0.00 0.13 0.00 0.00 57.88 57.31 1cfe h LEU 70 Cb 0.05 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 1cfe h LEU 70 CO -0.00 1.33 0.04 -0.50 -0.13 0.00 0.00 178.44 179.17 1cfe h TRP 71 N 0.12 0.07 0.00 1.25 6.55 -0.63 -1.65 115.95 121.66 1cfe h TRP 71 Ca -0.09 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.76 1cfe h TRP 71 Cb 1.42 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.70 1cfe h TRP 71 CO 0.12 0.04 0.00 0.28 -1.05 0.00 0.00 178.44 177.83 1cfe n VAL 72 N -5.06 0.61 -0.08 1.49 0.31 0.47 -0.84 118.33 115.22 1cfe n VAL 72 Ca -0.05 0.15 0.25 0.00 -0.01 0.00 0.00 64.34 64.69 1cfe n VAL 72 Cb 0.05 -0.97 0.72 0.00 -0.91 0.00 0.00 33.84 32.73 1cfe n VAL 72 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1cfe h SER 73 N 0.00 0.00 0.00 4.52 0.02 -0.65 -0.47 113.55 116.97 1cfe h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cfe h SER 73 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1cfe h SER 73 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 1cfe n GLU 74 N -4.01 0.32 -0.32 3.45 1.02 -0.02 -4.15 120.64 116.94 1cfe n GLU 74 Ca 0.15 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.26 1cfe n GLU 74 Cb 0.87 -1.29 0.09 0.00 -0.02 0.00 0.00 31.44 31.09 1cfe n GLU 74 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1cfe h ARG 75 N 0.00 1.12 0.00 3.49 2.43 -1.32 -3.34 114.38 116.76 1cfe h ARG 75 Ca 0.00 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1cfe h ARG 75 Cb 0.00 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1cfe h ARG 75 CO 0.00 0.74 -0.31 -1.00 -1.51 0.00 0.00 179.97 177.89 1cfe h PRO 76 N 1.15 0.00 -0.01 0.20 0.13 -1.86 0.94 132.00 132.55 1cfe h PRO 76 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1cfe h PRO 76 Cb -0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1cfe h PRO 76 CO -0.08 0.31 -0.06 -1.13 -0.23 0.00 0.00 178.00 176.80 1cfe n SER 77 N -3.88 0.71 -4.29 1.44 3.41 -1.25 -4.83 113.62 104.92 1cfe n SER 77 Ca -0.02 -0.98 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 1cfe n SER 77 Cb 0.38 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1cfe n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cfe n TYR 78 N -0.60 4.31 -2.92 7.33 9.36 0.32 -0.33 117.16 134.62 1cfe n TYR 78 Ca 0.18 -3.00 -0.41 0.00 3.32 0.00 0.00 57.90 58.00 1cfe n TYR 78 Cb 0.27 -2.42 -0.04 0.00 -0.63 0.00 0.00 39.34 36.52 1cfe n TYR 78 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1cfe s ASN 79 N 3.22 7.10 -0.07 2.98 2.47 -1.25 -4.92 114.94 124.48 1cfe s ASN 79 Ca 0.48 1.33 0.14 0.00 0.42 0.00 0.00 52.86 55.23 1cfe s ASN 79 Cb 0.05 -2.47 -0.21 0.00 -1.45 0.00 0.00 41.25 37.18 1cfe s ASN 79 CO 0.02 -0.19 0.21 0.00 -3.72 0.00 0.00 177.10 173.41 1cfe n TYR 80 N 3.98 0.00 -0.06 0.43 4.19 -1.26 -2.03 117.16 122.41 1cfe n TYR 80 Ca 0.02 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.15 1cfe n TYR 80 Cb 0.51 -0.49 -0.02 0.00 0.49 0.00 0.00 39.34 39.83 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1cfe h ALA 81 N 1.07 0.16 -0.78 2.98 0.00 -1.93 0.64 119.26 121.41 1cfe h ALA 81 Ca -0.16 0.10 -0.39 0.00 0.00 0.00 0.00 54.91 54.46 1cfe h ALA 81 Cb 1.19 0.20 -0.23 0.00 0.00 0.00 0.00 17.79 18.94 1cfe h ALA 81 CO 0.01 -0.47 0.40 0.25 0.00 0.00 0.00 179.25 179.44 1cfe n THR 82 N -5.23 2.99 -2.78 0.00 -2.24 -1.26 -4.98 114.28 100.77 1cfe n THR 82 Ca -0.01 -2.15 -0.11 0.00 -2.27 0.00 0.00 64.05 59.51 1cfe n THR 82 Cb 0.15 -0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 67.96 1cfe n THR 82 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cfe n ASN 83 N -1.06 -2.47 -3.58 3.42 5.15 0.21 -4.92 115.26 112.01 1cfe n ASN 83 Ca 0.50 0.12 -0.15 0.00 -0.60 0.00 0.00 54.58 54.45 1cfe n ASN 83 Cb 1.46 -2.15 -0.06 0.00 -0.53 0.00 0.00 39.78 38.50 1cfe n ASN 83 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1cfe s GLN 84 N -5.35 1.00 0.30 1.20 -2.07 -0.86 -4.95 119.66 108.93 1cfe s GLN 84 Ca 0.13 -0.08 -0.29 0.00 -1.82 0.00 0.00 55.36 53.30 1cfe s GLN 84 Cb -0.07 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.21 1cfe s GLN 84 CO 0.16 -0.34 1.36 0.00 -1.32 0.00 0.00 175.29 175.15 1cfe s VAL 86 N -0.67 2.44 -1.16 0.00 1.01 0.55 -4.85 120.40 117.72 1cfe s VAL 86 Ca 0.53 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 1cfe s VAL 86 Cb -0.41 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1cfe s VAL 86 CO 0.49 -0.13 2.32 0.61 0.00 0.00 0.00 175.10 178.39 1cfe n GLY 87 N 0.16 3.52 0.00 4.51 0.00 -1.26 -4.49 105.19 107.64 1cfe n GLY 87 Ca 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1cfe n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 88 N 3.92 1.20 0.48 -0.02 0.00 -1.26 -5.08 105.19 104.42 1cfe n GLY 88 Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.55 1cfe n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cfe n LYS 89 N 0.00 0.34 -1.84 1.61 4.01 -1.26 -5.10 118.16 115.91 1cfe n LYS 89 Ca 0.00 -0.49 -0.42 0.00 -0.51 0.00 0.00 58.31 56.88 1cfe n LYS 89 Cb 0.00 0.36 -0.03 0.00 -0.51 0.00 0.00 35.03 34.85 1cfe n LYS 89 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1cfe s LYS 90 N -2.21 4.13 -0.46 1.97 1.02 -1.26 -4.86 119.74 118.07 1cfe s LYS 90 Ca 0.05 2.38 -0.01 0.00 0.02 0.00 0.00 55.97 58.40 1cfe s LYS 90 Cb 0.00 -4.08 0.30 0.00 -0.52 0.00 0.00 37.83 33.54 1cfe s LYS 90 CO 0.03 -0.93 2.04 0.00 -0.92 0.00 0.00 175.35 175.57 1cfe h ARG 92 N 1.72 1.01 -0.03 0.00 9.65 -1.95 -1.13 114.38 123.66 1cfe h ARG 92 Ca 0.42 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.94 1cfe h ARG 92 Cb 0.86 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1cfe h ARG 92 CO 1.10 0.96 -0.27 0.45 2.80 0.00 0.00 179.97 185.00 1cfe h HIS 93 N 0.94 0.33 -0.96 2.20 3.86 -1.88 -3.05 115.15 116.59 1cfe h HIS 93 Ca 0.18 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1cfe h HIS 93 Cb 0.47 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 1cfe h HIS 93 CO 0.03 0.92 0.63 -0.92 0.86 0.00 0.00 177.93 179.45 1cfe h TYR 94 N -0.35 1.17 -0.77 2.45 5.03 -1.69 0.14 116.97 122.95 1cfe h TYR 94 Ca -0.03 0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.46 1cfe h TYR 94 Cb 0.97 -0.39 -0.10 0.00 1.55 0.00 0.00 36.73 38.76 1cfe h TYR 94 CO 0.15 0.69 0.31 1.79 -1.32 0.00 0.00 178.16 179.79 1cfe h THR 95 N 1.23 0.65 -0.30 1.81 1.35 -1.20 -0.14 112.91 116.31 1cfe h THR 95 Ca 0.37 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 66.03 1cfe h THR 95 Cb -0.03 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 1cfe h THR 95 CO -0.11 0.08 -0.00 1.56 -0.25 0.00 0.00 175.52 176.80 1cfe h GLN 96 N 0.45 0.53 -0.55 4.72 1.08 -0.71 -1.90 115.11 118.73 1cfe h GLN 96 Ca 0.43 -0.17 0.08 0.00 -1.45 0.00 0.00 58.65 57.54 1cfe h GLN 96 Cb 0.65 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.97 1cfe h GLN 96 CO -0.41 0.68 0.18 0.28 -0.95 0.00 0.00 178.83 178.61 1cfe h VAL 97 N 0.32 0.78 -0.00 -0.54 2.07 0.13 -1.45 116.25 117.55 1cfe h VAL 97 Ca 0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1cfe h VAL 97 Cb 0.44 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1cfe h VAL 97 CO 0.02 0.06 -0.08 0.55 0.02 0.00 0.00 177.57 178.14 1cfe n VAL 98 N -5.03 0.00 -1.69 2.57 3.14 -0.17 -4.86 118.33 112.29 1cfe n VAL 98 Ca 0.07 -0.06 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1cfe n VAL 98 Cb 0.24 -0.13 -0.03 0.00 -1.06 0.00 0.00 33.84 32.87 1cfe n VAL 98 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 1cfe s TRP 99 N -2.37 1.30 0.16 1.45 -0.11 -0.55 -4.82 118.94 114.00 1cfe s TRP 99 Ca 0.32 0.43 -0.28 0.00 1.22 0.00 0.00 56.10 57.79 1cfe s TRP 99 Cb 0.20 -3.99 -0.01 0.00 -1.50 0.00 0.00 33.47 28.17 1cfe s TRP 99 CO 0.45 -4.07 1.55 -0.09 -4.62 0.00 0.00 176.95 170.17 1cfe h ARG 100 N 14.07 -0.18 -0.48 5.86 2.43 -1.12 -2.42 114.38 132.54 1cfe h ARG 100 Ca -0.41 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1cfe h ARG 100 Cb 1.23 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1cfe h ARG 100 CO 0.97 -0.12 0.32 -0.97 -1.51 0.00 0.00 179.97 178.66 1cfe h ASN 101 N -0.19 0.32 -2.95 -3.80 -0.00 -1.83 -3.38 115.58 103.76 1cfe h ASN 101 Ca 0.16 0.00 -0.58 0.00 -0.00 0.00 0.00 56.30 55.88 1cfe h ASN 101 Cb 0.53 -0.07 -0.10 0.00 -0.00 0.00 0.00 38.32 38.68 1cfe h ASN 101 CO -0.76 0.21 0.79 -0.44 -0.00 0.00 0.00 177.43 177.22 1cfe s SER 102 N -6.45 6.31 0.00 1.15 0.01 -0.91 -4.38 113.70 109.43 1cfe s SER 102 Ca -0.07 -0.33 0.18 0.00 1.31 0.00 0.00 55.95 57.04 1cfe s SER 102 Cb 0.19 -2.49 -0.12 0.00 0.21 0.00 0.00 66.02 63.80 1cfe s SER 102 CO 0.73 -1.46 0.85 1.33 0.41 0.00 0.00 173.24 175.10 1cfe n VAL 103 N 6.33 0.00 -3.91 3.43 0.24 -1.12 -4.82 118.33 118.49 1cfe n VAL 103 Ca 0.03 -0.17 -0.34 0.00 -2.04 0.00 0.00 64.34 61.82 1cfe n VAL 103 Cb 0.48 1.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.89 1cfe n VAL 103 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1cfe s ARG 104 N -2.49 3.43 0.06 7.34 3.00 -0.74 -2.73 118.95 126.82 1cfe s ARG 104 Ca 0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 55.73 55.42 1cfe s ARG 104 Cb 0.14 -3.11 0.02 0.00 0.00 0.00 0.00 34.95 32.00 1cfe s ARG 104 CO 0.64 0.70 0.31 -1.17 0.00 0.00 0.00 175.30 175.77 1cfe s LEU 105 N -1.72 0.87 -0.30 2.53 1.98 -1.01 -2.81 118.68 118.22 1cfe s LEU 105 Ca 0.24 -0.24 -0.17 0.00 -2.89 0.00 0.00 54.13 51.07 1cfe s LEU 105 Cb -0.12 1.38 0.21 0.00 0.66 0.00 0.00 46.19 48.32 1cfe s LEU 105 CO 0.15 -0.65 1.30 -0.83 -1.89 0.00 0.00 176.35 174.43 1cfe s GLY 106 N -2.20 0.61 0.31 7.98 0.00 -1.07 -0.40 107.32 112.54 1cfe s GLY 106 Ca -0.03 3.88 0.10 0.00 0.00 0.00 0.00 44.72 48.67 1cfe s GLY 106 CO -0.05 2.96 -0.07 0.00 0.00 0.00 0.00 173.10 175.94 1cfe s GLY 108 N -3.63 2.08 -0.30 0.00 0.00 0.06 -4.08 107.32 101.45 1cfe s GLY 108 Ca 0.32 -2.06 -0.08 0.00 0.00 0.00 0.00 44.72 42.90 1cfe s GLY 108 CO 0.18 -1.84 0.92 -1.60 0.00 0.00 0.00 173.10 170.76 1cfe s ARG 109 N -3.86 0.28 0.03 2.90 3.52 -1.26 -3.78 118.95 116.78 1cfe s ARG 109 Ca 0.36 0.37 -0.07 0.00 -0.13 0.00 0.00 55.73 56.26 1cfe s ARG 109 Cb 0.08 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1cfe s ARG 109 CO 0.15 -0.42 0.13 0.00 -0.81 0.00 0.00 175.30 174.35 1cfe s ALA 110 N 2.92 -0.18 -0.15 6.12 0.00 -0.38 -4.93 121.76 125.16 1cfe s ALA 110 Ca 0.14 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 1cfe s ALA 110 Cb -0.08 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1cfe s ALA 110 CO -0.19 -0.31 0.33 0.50 0.00 0.00 0.00 175.76 176.09 1cfe s ARG 111 N -2.37 4.26 0.62 0.00 3.52 -1.26 -0.19 118.95 123.53 1cfe s ARG 111 Ca -0.07 0.17 -0.16 0.00 -0.13 0.00 0.00 55.73 55.54 1cfe s ARG 111 Cb -0.02 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1cfe s ARG 111 CO -0.03 0.23 1.11 0.00 -0.81 0.00 0.00 175.30 175.80 1cfe h ASN 113 N 0.34 0.17 0.20 0.00 4.21 -1.81 0.12 115.58 118.81 1cfe h ASN 113 Ca -0.47 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1cfe h ASN 113 Cb 1.25 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1cfe h ASN 113 CO 0.55 0.15 0.00 -0.46 -1.29 0.00 0.00 177.43 176.38 1cfe n ASN 114 N -4.49 0.00 0.00 5.81 0.23 -1.26 -4.87 115.26 110.68 1cfe n ASN 114 Ca -0.01 0.43 0.00 0.00 -0.53 0.00 0.00 54.58 54.47 1cfe n ASN 114 Cb 0.10 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 1cfe n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cfe n GLY 115 N -0.80 2.72 3.77 4.83 0.00 0.41 -5.05 105.19 111.06 1cfe n GLY 115 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1cfe n GLY 115 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cfe s TRP 116 N -2.70 3.12 -0.33 1.61 0.51 -1.26 -4.64 118.94 115.25 1cfe s TRP 116 Ca 0.00 1.48 -0.26 0.00 -2.12 0.00 0.00 56.10 55.19 1cfe s TRP 116 Cb 0.00 -3.59 0.01 0.00 -0.81 0.00 0.00 33.47 29.08 1cfe s TRP 116 CO 0.00 -1.61 0.94 -1.58 -0.51 0.00 0.00 176.95 174.19 1cfe s TRP 117 N -1.18 3.14 -0.15 -1.98 0.52 -1.26 -1.12 118.94 116.92 1cfe s TRP 117 Ca 0.49 0.94 -0.26 0.00 0.02 0.00 0.00 56.10 57.29 1cfe s TRP 117 Cb -0.38 -3.54 -0.01 0.00 -1.15 0.00 0.00 33.47 28.39 1cfe s TRP 117 CO 0.49 -0.73 0.86 0.12 0.02 0.00 0.00 176.95 177.72 1cfe s PHE 118 N 3.38 3.45 -0.22 -1.98 2.19 0.73 -0.77 117.98 124.75 1cfe s PHE 118 Ca 0.39 1.33 0.01 0.00 0.33 0.00 0.00 56.93 58.99 1cfe s PHE 118 Cb -0.13 -3.04 0.04 0.00 -1.31 0.00 0.00 43.02 38.58 1cfe s PHE 118 CO 0.16 -0.22 -0.14 0.42 1.83 0.00 0.00 175.22 177.27 1cfe s ILE 119 N 2.05 2.25 0.23 3.12 1.09 -0.79 -1.24 121.20 127.92 1cfe s ILE 119 Ca 0.40 -1.23 -0.10 0.00 -1.10 0.00 0.00 60.65 58.63 1cfe s ILE 119 Cb -0.17 -2.13 -0.07 0.00 -1.06 0.00 0.00 42.46 39.02 1cfe s ILE 119 CO 0.14 0.26 0.55 -0.94 -0.10 0.00 0.00 174.94 174.84 1cfe s SER 120 N 1.22 6.63 -0.20 3.58 1.04 -1.25 -0.91 113.70 123.82 1cfe s SER 120 Ca -0.01 0.92 -0.07 0.00 0.48 0.00 0.00 55.95 57.26 1cfe s SER 120 Cb -0.16 -2.23 0.09 0.00 0.10 0.00 0.00 66.02 63.82 1cfe s SER 120 CO -0.08 -0.07 0.43 0.00 0.98 0.00 0.00 173.24 174.49 1cfe s ASN 122 N 2.42 5.48 0.02 0.00 3.84 -0.50 -3.75 114.94 122.46 1cfe s ASN 122 Ca -0.03 -0.27 0.04 0.00 0.21 0.00 0.00 52.86 52.82 1cfe s ASN 122 Cb -0.11 -1.38 -0.02 0.00 -0.55 0.00 0.00 41.25 39.19 1cfe s ASN 122 CO -0.13 -0.03 -0.13 -0.31 -2.79 0.00 0.00 177.10 173.70 1cfe s TYR 123 N -2.14 1.15 -0.02 0.43 1.51 0.40 -2.60 117.35 116.09 1cfe s TYR 123 Ca 0.33 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1cfe s TYR 123 Cb -0.08 -0.70 0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1cfe s TYR 123 CO 0.25 0.01 -0.02 0.34 -1.11 0.00 0.00 175.55 175.02 1cfe s ASP 124 N -0.82 0.50 0.96 2.29 2.15 -1.12 -3.71 116.67 116.92 1cfe s ASP 124 Ca 0.02 -0.06 -0.12 0.00 0.43 0.00 0.00 52.55 52.83 1cfe s ASP 124 Cb -0.07 -0.19 0.11 0.00 -0.30 0.00 0.00 42.92 42.47 1cfe s ASP 124 CO 0.01 -0.04 0.75 -0.81 -0.17 0.00 0.00 175.17 174.90 1cfe n PRO 125 N 3.70 -0.58 -1.77 4.34 -0.04 -1.26 -1.78 135.00 137.61 1cfe n PRO 125 Ca -0.22 -0.12 -0.41 0.00 -0.04 0.00 0.00 63.50 62.71 1cfe n PRO 125 Cb 0.53 -2.10 -0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1cfe n PRO 125 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1cfe n VAL 126 N -4.02 1.91 -4.36 0.52 0.24 -1.24 -4.29 118.33 107.08 1cfe n VAL 126 Ca 0.08 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.62 1cfe n VAL 126 Cb 0.53 -1.94 -0.06 0.00 -1.47 0.00 0.00 33.84 30.90 1cfe n VAL 126 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cfe s GLY 127 N -0.09 2.63 -1.62 7.63 0.00 -1.26 -4.50 107.32 110.11 1cfe s GLY 127 Ca 0.54 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1cfe s GLY 127 CO 0.62 -2.05 0.00 0.70 0.00 0.00 0.00 173.10 172.37 1cfe n ASN 128 N -1.35 -4.72 -4.84 1.64 3.02 -1.26 -2.17 115.26 105.58 1cfe n ASN 128 Ca -0.09 0.38 -0.22 0.00 -0.03 0.00 0.00 54.58 54.62 1cfe n ASN 128 Cb 0.66 -4.03 0.09 0.00 -0.61 0.00 0.00 39.78 35.89 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1cfe s TRP 129 N -2.27 1.23 0.68 3.10 -0.11 -1.26 -4.96 118.94 115.35 1cfe s TRP 129 Ca 0.00 -0.58 -0.07 0.00 1.22 0.00 0.00 56.10 56.67 1cfe s TRP 129 Cb 0.00 -2.57 0.05 0.00 -1.50 0.00 0.00 33.47 29.44 1cfe s TRP 129 CO 0.00 -1.55 1.00 -1.50 -4.62 0.00 0.00 176.95 170.28 1cfe s ILE 130 N -2.94 2.65 -1.93 5.86 2.07 -1.26 -4.54 121.20 121.11 1cfe s ILE 130 Ca 0.65 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.74 1cfe s ILE 130 Cb -0.05 -3.13 0.00 0.00 0.13 0.00 0.00 42.46 39.41 1cfe s ILE 130 CO 0.42 -0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.92 1cfe n GLY 131 N -2.86 0.33 3.54 1.50 0.00 -1.26 -4.93 105.19 101.51 1cfe n GLY 131 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1cfe n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfe s GLN 132 N -4.62 1.79 0.11 1.61 -0.21 -1.26 -5.19 119.66 111.88 1cfe s GLN 132 Ca 0.00 -1.54 0.06 0.00 0.02 0.00 0.00 55.36 53.90 1cfe s GLN 132 Cb 0.00 0.46 -0.03 0.00 1.00 0.00 0.00 33.01 34.44 1cfe s GLN 132 CO 0.00 -0.75 -0.15 1.03 -2.12 0.00 0.00 175.29 173.30 1cfe s ARG 133 N -3.36 0.99 0.02 2.91 0.52 -1.26 -4.99 118.95 113.78 1cfe s ARG 133 Ca 0.26 -1.16 -0.23 0.00 -0.52 0.00 0.00 55.73 54.09 1cfe s ARG 133 Cb -0.01 -0.96 -0.16 0.00 0.52 0.00 0.00 34.95 34.34 1cfe s ARG 133 CO 0.15 0.20 1.35 -1.00 0.02 0.00 0.00 175.30 176.02 1cfe h PRO 134 N 3.80 0.19 0.00 3.54 0.13 -1.95 -3.39 132.00 134.32 1cfe h PRO 134 Ca -0.41 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1cfe h PRO 134 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1cfe h PRO 134 CO 0.46 0.57 0.00 2.48 -0.23 0.00 0.00 178.00 181.28