#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfe s ASN 2 N 0.00 -0.71 0.00 1.08 6.03 -1.26 -1.24 114.94 118.84 1cfe s ASN 2 Ca 0.00 1.19 0.00 0.00 -1.03 0.00 0.00 52.86 53.02 1cfe s ASN 2 Cb 0.00 1.08 0.00 0.00 -3.03 0.00 0.00 41.25 39.30 1cfe s ASN 2 CO 0.00 -0.21 0.00 -1.20 -2.03 0.00 0.00 177.10 173.66 1cfe n SER 3 N 4.11 0.00 0.11 3.54 7.64 -1.26 -4.91 113.62 122.86 1cfe n SER 3 Ca -0.21 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.54 1cfe n SER 3 Cb 0.57 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 1cfe n SER 3 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1cfe h PRO 4 N 0.00 -0.59 -0.60 1.43 0.13 -2.00 -1.80 132.00 128.56 1cfe h PRO 4 Ca 0.00 0.04 0.18 0.00 -0.87 0.00 0.00 66.00 65.35 1cfe h PRO 4 Cb 0.00 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.24 1cfe h PRO 4 CO 0.00 -0.40 0.44 -0.56 -0.23 0.00 0.00 178.00 177.25 1cfe h GLN 5 N -0.62 0.00 0.19 0.86 3.07 -1.96 0.21 115.11 116.86 1cfe h GLN 5 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1cfe h GLN 5 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1cfe h GLN 5 CO -0.18 0.00 -0.09 -0.44 0.09 0.00 0.00 178.83 178.21 1cfe h ASP 6 N 0.00 -0.21 0.37 0.06 3.32 -1.69 0.18 116.42 118.45 1cfe h ASP 6 Ca 0.29 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1cfe h ASP 6 Cb 1.16 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1cfe h ASP 6 CO -0.00 0.08 -0.18 1.88 -1.72 0.00 0.00 179.24 179.30 1cfe h TYR 7 N -0.52 -0.46 -0.97 4.55 0.05 -0.96 -3.19 116.97 115.47 1cfe h TYR 7 Ca -0.03 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.85 1cfe h TYR 7 Cb 0.39 0.15 -0.08 0.00 1.01 0.00 0.00 36.73 38.21 1cfe h TYR 7 CO 0.01 -0.27 0.62 -0.07 -1.05 0.00 0.00 178.16 177.40 1cfe h LEU 8 N -0.51 0.89 0.21 3.88 3.38 -0.92 -1.55 115.31 120.68 1cfe h LEU 8 Ca -0.05 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1cfe h LEU 8 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1cfe h LEU 8 CO 0.08 0.49 -0.16 0.00 0.09 0.00 0.00 178.44 178.95 1cfe h ALA 9 N 1.54 -0.35 -0.57 1.53 0.00 -0.62 0.64 119.26 121.42 1cfe h ALA 9 Ca 0.47 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1cfe h ALA 9 Cb 0.45 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1cfe h ALA 9 CO -0.23 -0.71 -0.02 0.28 0.00 0.00 0.00 179.25 178.57 1cfe h VAL 10 N -0.37 1.26 0.33 0.00 2.07 -1.45 -0.66 116.25 117.43 1cfe h VAL 10 Ca -0.01 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1cfe h VAL 10 Cb 0.33 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1cfe h VAL 10 CO -0.01 0.42 -0.42 0.45 0.02 0.00 0.00 177.57 178.03 1cfe h HIS 11 N 0.92 -1.16 -0.79 1.57 -0.00 -1.10 -0.73 115.15 113.86 1cfe h HIS 11 Ca 0.16 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.60 1cfe h HIS 11 Cb 0.57 0.47 -0.05 0.00 -0.00 0.00 0.00 27.41 28.40 1cfe h HIS 11 CO 0.04 -0.56 0.52 -0.91 -0.00 0.00 0.00 177.93 177.01 1cfe h ASN 12 N -0.80 0.78 0.29 2.45 2.35 -0.54 0.76 115.58 120.88 1cfe h ASN 12 Ca -0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1cfe h ASN 12 Cb 0.74 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1cfe h ASN 12 CO -0.12 0.52 -0.33 -0.78 -1.65 0.00 0.00 177.43 175.07 1cfe h ASP 13 N 0.90 -0.93 -0.62 5.81 3.58 -0.87 0.23 116.42 124.51 1cfe h ASP 13 Ca 0.33 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.94 1cfe h ASP 13 Cb 0.16 0.31 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 1cfe h ASP 13 CO -0.11 -0.42 0.29 0.00 -2.88 0.00 0.00 179.24 176.12 1cfe h ALA 14 N -1.15 0.83 -0.13 -0.78 0.00 -0.43 -1.00 119.26 116.59 1cfe h ALA 14 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1cfe h ALA 14 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1cfe h ALA 14 CO -0.07 -0.10 0.02 0.00 0.00 0.00 0.00 179.25 179.11 1cfe h ARG 15 N 0.52 0.22 -0.87 0.00 3.08 -0.85 -2.07 114.38 114.41 1cfe h ARG 15 Ca 0.30 -0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.51 1cfe h ARG 15 Cb 0.30 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.19 1cfe h ARG 15 CO -0.25 0.41 0.28 0.00 -1.07 0.00 0.00 179.97 179.34 1cfe h ALA 16 N 0.80 1.30 0.00 0.04 0.00 -0.07 0.25 119.26 121.58 1cfe h ALA 16 Ca 0.04 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1cfe h ALA 16 Cb 0.29 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cfe h ALA 16 CO 0.00 -0.41 -0.12 -0.56 0.00 0.00 0.00 179.25 178.15 1cfe h GLN 17 N 0.28 0.00 -0.22 0.00 3.07 -0.47 -1.21 115.11 116.56 1cfe h GLN 17 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.28 1cfe h GLN 17 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.62 1cfe h GLN 17 CO -0.60 0.12 0.00 1.33 0.09 0.00 0.00 178.83 179.78 1cfe n VAL 18 N -3.80 1.83 -2.35 1.86 0.24 -0.35 -5.00 118.33 110.76 1cfe n VAL 18 Ca -0.02 -1.68 -0.19 0.00 -2.04 0.00 0.00 64.34 60.41 1cfe n VAL 18 Cb 0.23 -0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.44 -0.38 3.77 7.63 0.00 0.61 -4.99 105.19 111.40 1cfe n GLY 19 Ca 0.17 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.96 4.46 1.09 1.61 1.01 0.26 -4.95 120.40 120.92 1cfe s VAL 20 Ca 0.00 1.68 -0.16 0.00 0.00 0.00 0.00 61.98 63.50 1cfe s VAL 20 Cb 0.00 -4.13 0.23 0.00 0.00 0.00 0.00 36.38 32.49 1cfe s VAL 20 CO 0.00 0.49 1.11 -0.83 0.00 0.00 0.00 175.10 175.87 1cfe s GLY 21 N -0.89 1.58 0.75 4.51 0.00 -1.26 -4.02 107.32 108.00 1cfe s GLY 21 Ca 0.36 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 44.26 1cfe s GLY 21 CO 0.25 0.05 0.94 -1.55 0.00 0.00 0.00 173.10 172.80 1cfe n PRO 22 N -4.42 -1.27 -4.20 2.90 -0.04 -1.26 -4.96 135.00 121.74 1cfe n PRO 22 Ca 0.09 -1.46 -0.13 0.00 -0.04 0.00 0.00 63.50 61.96 1cfe n PRO 22 Cb 0.59 -1.04 -0.09 0.00 -0.04 0.00 0.00 33.50 32.91 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 -5.07 1.34 0.37 0.54 0.23 -1.26 -4.80 119.30 110.66 1cfe s MET 23 Ca 0.55 -1.69 0.02 0.00 -1.03 0.00 0.00 55.69 53.53 1cfe s MET 23 Cb -0.02 0.30 -0.01 0.00 -1.53 0.00 0.00 34.83 33.57 1cfe s MET 23 CO 0.39 -0.46 0.06 -1.13 -2.03 0.00 0.00 175.02 171.85 1cfe n SER 24 N -0.55 2.16 -4.80 -1.18 3.41 -0.73 -5.04 113.62 106.88 1cfe n SER 24 Ca 0.03 -2.80 -0.29 0.00 -0.26 0.00 0.00 58.87 55.55 1cfe n SER 24 Cb 0.65 0.57 0.11 0.00 -0.26 0.00 0.00 64.21 65.28 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 -2.65 2.70 -0.04 7.33 -0.00 -1.26 -2.43 118.94 122.59 1cfe s TRP 25 Ca 0.08 1.01 -0.00 0.00 -0.00 0.00 0.00 56.10 57.19 1cfe s TRP 25 Cb 0.00 -3.25 0.03 0.00 -0.00 0.00 0.00 33.47 30.25 1cfe s TRP 25 CO 0.06 -2.02 0.00 0.34 -0.00 0.00 0.00 176.95 175.33 1cfe s ASP 26 N -3.98 0.83 0.28 5.86 -1.08 0.46 -4.60 116.67 114.44 1cfe s ASP 26 Ca 0.62 -0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 52.60 1cfe s ASP 26 Cb -0.14 -0.28 0.39 0.00 -1.46 0.00 0.00 42.92 41.43 1cfe s ASP 26 CO 0.54 -0.14 1.83 0.00 0.52 0.00 0.00 175.17 177.92 1cfe h ALA 27 N 7.64 1.22 0.22 3.66 0.00 -1.99 -1.49 119.26 128.52 1cfe h ALA 27 Ca -0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1cfe h ALA 27 Cb 1.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1cfe h ALA 27 CO 0.38 0.55 -0.10 -0.91 0.00 0.00 0.00 179.25 179.17 1cfe h ASN 28 N 0.83 -0.25 -0.53 0.00 2.35 -1.96 0.10 115.58 116.12 1cfe h ASN 28 Ca 0.18 -0.23 0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1cfe h ASN 28 Cb 0.27 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.64 1cfe h ASN 28 CO -0.01 0.11 0.15 -0.07 -1.65 0.00 0.00 177.43 175.97 1cfe h LEU 29 N -0.64 0.09 -0.71 1.61 3.38 -1.88 0.16 115.31 117.33 1cfe h LEU 29 Ca -0.03 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1cfe h LEU 29 Cb 0.46 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1cfe h LEU 29 CO 0.05 0.07 0.47 0.00 0.09 0.00 0.00 178.44 179.12 1cfe h ALA 30 N 1.39 0.90 -0.40 1.53 0.00 -1.12 0.63 119.26 122.19 1cfe h ALA 30 Ca 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1cfe h ALA 30 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1cfe h ALA 30 CO -0.31 0.32 0.17 0.66 0.00 0.00 0.00 179.25 180.09 1cfe h SER 31 N 0.96 0.55 -0.26 0.00 4.64 0.41 0.33 113.55 120.18 1cfe h SER 31 Ca 0.26 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.47 1cfe h SER 31 Cb -0.11 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 1cfe h SER 31 CO -0.06 0.56 -0.02 -0.09 -0.87 0.00 0.00 176.83 176.35 1cfe h ARG 32 N 0.51 0.06 0.15 4.77 9.65 -0.21 0.11 114.38 129.42 1cfe h ARG 32 Ca 0.14 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 1cfe h ARG 32 Cb 0.17 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1cfe h ARG 32 CO -0.01 0.04 -0.07 0.00 2.80 0.00 0.00 179.97 182.72 1cfe h ALA 33 N 1.23 -0.20 -0.26 2.80 0.00 -0.58 0.19 119.26 122.44 1cfe h ALA 33 Ca 0.12 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1cfe h ALA 33 Cb 0.17 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1cfe h ALA 33 CO -0.22 -0.60 -0.10 0.37 0.00 0.00 0.00 179.25 178.69 1cfe h GLN 34 N -0.22 -0.05 0.52 0.00 5.75 -0.50 0.10 115.11 120.71 1cfe h GLN 34 Ca -0.02 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1cfe h GLN 34 Cb 0.17 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 1cfe h GLN 34 CO 0.03 -0.04 -0.29 -0.91 -2.65 0.00 0.00 178.83 174.98 1cfe h ASN 35 N -0.06 -0.70 -0.03 -0.69 4.21 -0.64 0.03 115.58 117.71 1cfe h ASN 35 Ca 0.13 0.03 0.02 0.00 1.21 0.00 0.00 56.30 57.70 1cfe h ASN 35 Cb 0.26 0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1cfe h ASN 35 CO -0.30 -0.46 -0.09 0.22 -1.29 0.00 0.00 177.43 175.51 1cfe h TYR 36 N -0.75 -0.22 -0.53 1.19 3.20 -0.35 0.16 116.97 119.67 1cfe h TYR 36 Ca -0.06 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.91 1cfe h TYR 36 Cb 0.60 0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.89 1cfe h TYR 36 CO -0.07 -0.14 0.06 0.00 -1.64 0.00 0.00 178.16 176.38 1cfe h ALA 37 N 0.87 0.57 0.44 1.82 0.00 -0.81 0.45 119.26 122.59 1cfe h ALA 37 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1cfe h ALA 37 Cb 0.20 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1cfe h ALA 37 CO -0.11 -0.34 -0.27 -0.91 0.00 0.00 0.00 179.25 177.62 1cfe h ASN 38 N 0.19 -0.67 -0.68 0.00 2.35 0.19 -1.37 115.58 115.59 1cfe h ASN 38 Ca 0.27 0.04 0.13 0.00 -0.55 0.00 0.00 56.30 56.19 1cfe h ASN 38 Cb 0.39 0.20 -0.13 0.00 0.05 0.00 0.00 38.32 38.83 1cfe h ASN 38 CO -0.39 -0.43 -0.21 0.28 -1.65 0.00 0.00 177.43 175.03 1cfe h SER 39 N -0.68 -0.77 -0.03 5.81 0.02 -0.45 0.59 113.55 118.04 1cfe h SER 39 Ca -0.05 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1cfe h SER 39 Cb 0.55 0.47 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1cfe h SER 39 CO 0.05 -0.25 0.01 0.54 -1.14 0.00 0.00 176.83 176.04 1cfe n ARG 40 N -5.46 1.12 0.08 3.45 5.12 0.12 -2.85 116.66 118.24 1cfe n ARG 40 Ca 0.08 -0.12 -0.09 0.00 -1.93 0.00 0.00 57.85 55.79 1cfe n ARG 40 Cb 0.36 -1.36 0.01 0.00 -1.16 0.00 0.00 32.46 30.31 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 2.04 0.55 0.00 7.54 0.00 0.22 0.29 119.26 129.90 1cfe h ALA 41 Ca 0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1cfe h ALA 41 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1cfe h ALA 41 CO 0.03 0.85 -0.35 0.78 0.00 0.00 0.00 179.25 180.56 1cfe h GLY 42 N 1.59 0.00 0.00 0.00 0.00 -1.71 -2.70 103.07 100.24 1cfe h GLY 42 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1cfe h GLY 42 CO 0.13 0.00 -0.91 1.22 0.00 0.00 0.00 176.54 176.98 1cfe n ASP 43 N -3.60 1.71 -3.97 0.19 9.92 -1.22 -4.92 116.55 114.65 1cfe n ASP 43 Ca -0.01 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.94 1cfe n ASP 43 Cb 0.47 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.97 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cfe s ASN 45 N -3.32 7.31 -1.30 0.00 0.01 -1.26 -4.96 114.94 111.42 1cfe s ASN 45 Ca 0.67 1.77 -0.06 0.00 -0.71 0.00 0.00 52.86 54.52 1cfe s ASN 45 Cb -0.34 -2.57 0.06 0.00 0.41 0.00 0.00 41.25 38.80 1cfe s ASN 45 CO 0.85 -0.29 2.59 0.18 -1.51 0.00 0.00 177.10 178.92 1cfe n LEU 46 N 3.75 8.05 -4.58 0.60 4.77 -1.26 -4.95 117.00 123.39 1cfe n LEU 46 Ca 0.06 -4.67 -0.43 0.00 -0.03 0.00 0.00 56.01 50.95 1cfe n LEU 46 Cb 0.50 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 1cfe n LEU 46 CO 0.53 2.04 0.79 -0.63 -1.33 0.00 0.00 177.39 178.78 1cfe s ILE 47 N -0.38 4.46 -0.62 -0.08 1.01 -1.26 -4.90 121.20 119.43 1cfe s ILE 47 Ca 0.59 0.91 -0.04 0.00 0.00 0.00 0.00 60.65 62.11 1cfe s ILE 47 Cb 0.20 -4.43 0.12 0.00 0.01 0.00 0.00 42.46 38.36 1cfe s ILE 47 CO -0.09 -0.79 2.58 1.57 0.00 0.00 0.00 174.94 178.21 1cfe n HIS 48 N 7.16 1.96 0.42 3.97 -0.00 -1.26 -4.61 115.22 122.87 1cfe n HIS 48 Ca 0.07 -2.11 0.08 0.00 -0.00 0.00 0.00 57.72 55.76 1cfe n HIS 48 Cb 0.48 -1.39 0.34 0.00 -0.00 0.00 0.00 29.99 29.42 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 0.69 0.18 0.02 0.26 3.41 -1.26 -3.25 113.62 113.66 1cfe n SER 49 Ca 0.51 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.55 1cfe n SER 49 Cb 0.46 -0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 1cfe n SER 49 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1cfe h GLY 50 N 2.15 0.11 -0.49 5.00 0.00 -1.98 -3.47 103.07 104.39 1cfe h GLY 50 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 1cfe h GLY 50 CO 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 176.54 176.61 1cfe n ALA 51 N -2.59 -0.16 -0.13 3.60 0.00 -1.20 -4.83 120.51 115.20 1cfe n ALA 51 Ca -0.15 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1cfe n ALA 51 Cb 1.03 -1.56 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.40 -0.39 3.97 0.00 0.00 -1.26 -1.31 105.19 105.79 1cfe n GLY 52 Ca -0.10 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1cfe n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cfe s GLU 53 N -2.51 1.34 0.02 1.61 8.01 -1.26 -4.05 118.70 121.86 1cfe s GLU 53 Ca -0.36 -0.81 -0.08 0.00 0.01 0.00 0.00 54.97 53.74 1cfe s GLU 53 Cb 0.11 -2.15 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 1cfe s GLU 53 CO 0.54 -1.78 0.15 0.54 0.01 0.00 0.00 175.26 174.72 1cfe s ASN 54 N -4.78 0.05 0.06 -0.19 2.20 -0.88 -5.01 114.94 106.39 1cfe s ASN 54 Ca 0.69 -0.29 0.01 0.00 -0.94 0.00 0.00 52.86 52.32 1cfe s ASN 54 Cb -0.05 0.23 -0.03 0.00 -2.00 0.00 0.00 41.25 39.40 1cfe s ASN 54 CO 0.47 -0.44 -0.06 -0.76 -2.94 0.00 0.00 177.10 173.37 1cfe s LEU 55 N -1.68 2.39 0.01 3.54 1.43 -1.26 -1.70 118.68 121.40 1cfe s LEU 55 Ca -0.11 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 1cfe s LEU 55 Cb -0.05 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 1cfe s LEU 55 CO -0.01 -0.38 -0.07 0.00 0.23 0.00 0.00 176.35 176.12 1cfe s ALA 56 N -2.68 0.56 0.03 4.21 0.00 0.19 -5.00 121.76 119.06 1cfe s ALA 56 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 1cfe s ALA 56 Cb -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1cfe s ALA 56 CO -0.04 0.10 0.27 -1.59 0.00 0.00 0.00 175.76 174.50 1cfe s LYS 57 N -0.52 0.75 0.00 0.00 -2.85 -1.26 -0.49 119.74 115.37 1cfe s LYS 57 Ca -0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1cfe s LYS 57 Cb -0.04 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1cfe s LYS 57 CO -0.00 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.63 1cfe n GLY 58 N 0.73 -0.65 7.00 0.59 0.00 -0.41 -4.98 105.19 107.47 1cfe n GLY 58 Ca -0.19 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.65 2.82 0.00 -0.02 0.00 -1.26 -1.15 105.19 104.92 1cfe n GLY 59 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1cfe n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 60 N 0.00 0.02 2.69 -0.02 0.00 -1.26 -3.62 105.19 103.01 1cfe n GLY 60 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1cfe n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cfe n ASP 61 N 0.00 -1.21 -4.72 1.61 5.68 -1.26 -4.78 116.55 111.87 1cfe n ASP 61 Ca 0.00 -2.34 -0.42 0.00 -0.50 0.00 0.00 54.79 51.53 1cfe n ASP 61 Cb 0.00 0.65 -0.03 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.38 3.50 0.62 2.11 5.36 -1.26 -5.05 117.98 122.88 1cfe s PHE 62 Ca 0.17 1.43 -0.08 0.00 -0.96 0.00 0.00 56.93 57.49 1cfe s PHE 62 Cb 0.42 -3.35 0.01 0.00 -0.34 0.00 0.00 43.02 39.75 1cfe s PHE 62 CO -0.09 -0.97 0.95 0.95 -1.46 0.00 0.00 175.22 174.60 1cfe s THR 63 N 0.67 3.72 0.09 0.12 -4.23 -1.26 -4.97 115.64 109.77 1cfe s THR 63 Ca 0.55 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1cfe s THR 63 Cb -0.29 -3.50 -0.26 0.00 1.34 0.00 0.00 72.50 69.79 1cfe s THR 63 CO 0.31 -0.56 1.18 1.23 -0.54 0.00 0.00 174.62 176.24 1cfe h GLY 64 N -0.29 0.36 0.31 3.99 0.00 -1.71 -2.00 103.07 103.73 1cfe h GLY 64 Ca -0.45 -0.84 0.06 0.00 0.00 0.00 0.00 47.33 46.10 1cfe h GLY 64 CO 0.62 0.74 -0.11 -0.09 0.00 0.00 0.00 176.54 177.69 1cfe h ARG 65 N 0.11 -0.06 -0.51 4.80 9.65 -1.47 -0.10 114.38 126.81 1cfe h ARG 65 Ca -0.13 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1cfe h ARG 65 Cb 1.88 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.45 1cfe h ARG 65 CO 0.20 -0.04 0.34 0.00 2.80 0.00 0.00 179.97 183.27 1cfe h ALA 66 N 1.21 1.72 0.16 2.80 0.00 -1.81 -0.69 119.26 122.66 1cfe h ALA 66 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1cfe h ALA 66 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1cfe h ALA 66 CO -0.34 0.23 -0.18 0.00 0.00 0.00 0.00 179.25 178.96 1cfe h ALA 67 N 1.70 -0.35 -0.56 0.00 0.00 -0.27 0.54 119.26 120.31 1cfe h ALA 67 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1cfe h ALA 67 Cb 0.05 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1cfe h ALA 67 CO -0.05 -0.73 0.35 0.28 0.00 0.00 0.00 179.25 179.10 1cfe h VAL 68 N -0.39 1.08 -0.76 0.00 2.07 -0.66 -0.00 116.25 117.59 1cfe h VAL 68 Ca 0.01 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1cfe h VAL 68 Cb 0.38 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1cfe h VAL 68 CO -0.06 0.13 0.50 1.56 0.02 0.00 0.00 177.57 179.71 1cfe h GLN 69 N 0.69 0.60 -0.37 1.57 1.08 -0.75 0.56 115.11 118.48 1cfe h GLN 69 Ca 0.22 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.23 1cfe h GLN 69 Cb -0.00 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1cfe h GLN 69 CO -0.09 0.40 -0.39 1.25 -0.95 0.00 0.00 178.83 179.05 1cfe h LEU 70 N 0.62 0.96 -1.24 1.46 5.85 0.18 -0.91 115.31 122.23 1cfe h LEU 70 Ca 0.36 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1cfe h LEU 70 Cb 0.56 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1cfe h LEU 70 CO -0.13 1.23 0.09 -0.50 -0.34 0.00 0.00 178.44 178.79 1cfe h TRP 71 N 0.73 0.62 -0.03 1.25 6.55 0.39 0.12 115.95 125.60 1cfe h TRP 71 Ca 0.06 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1cfe h TRP 71 Cb 0.98 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 29.09 1cfe h TRP 71 CO 0.06 0.54 0.00 0.28 -1.05 0.00 0.00 178.44 178.28 1cfe n VAL 72 N -4.31 0.03 0.05 1.49 0.31 0.04 -1.79 118.33 114.14 1cfe n VAL 72 Ca 0.03 -0.08 0.20 0.00 -0.01 0.00 0.00 64.34 64.48 1cfe n VAL 72 Cb 0.20 -0.18 0.72 0.00 -0.91 0.00 0.00 33.84 33.68 1cfe n VAL 72 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1cfe h SER 73 N 0.57 0.00 0.00 4.52 4.64 0.46 -2.03 113.55 121.71 1cfe h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cfe h SER 73 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1cfe h SER 73 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1cfe n GLU 74 N -4.18 0.60 0.09 4.77 -0.58 -1.26 -4.37 120.64 115.71 1cfe n GLU 74 Ca 0.08 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.69 1cfe n GLU 74 Cb 0.57 -1.20 -0.08 0.00 -0.57 0.00 0.00 31.44 30.15 1cfe n GLU 74 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1cfe h ARG 75 N 0.96 -0.22 -0.75 3.49 2.43 -1.70 0.20 114.38 118.79 1cfe h ARG 75 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1cfe h ARG 75 Cb 0.60 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1cfe h ARG 75 CO 0.00 0.08 0.00 -0.35 -1.51 0.00 0.00 179.97 178.19 1cfe n PRO 76 N -5.06 0.73 0.00 0.20 -0.04 -1.26 -3.64 135.00 125.93 1cfe n PRO 76 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1cfe n PRO 76 Cb 0.22 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1cfe n PRO 76 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cfe n SER 77 N 0.15 1.39 -4.85 3.54 3.41 -0.99 -5.02 113.62 111.24 1cfe n SER 77 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1cfe n SER 77 Cb 0.19 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1cfe n SER 77 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1cfe s TYR 78 N -1.31 3.44 0.00 7.33 -0.85 0.68 -0.36 117.35 126.28 1cfe s TYR 78 Ca 0.00 1.28 0.00 0.00 -0.52 0.00 0.00 57.07 57.83 1cfe s TYR 78 Cb 0.00 -2.63 0.00 0.00 0.38 0.00 0.00 41.96 39.71 1cfe s TYR 78 CO 0.00 -0.20 0.00 -1.71 -1.52 0.00 0.00 175.55 172.12 1cfe n ASN 79 N -1.30 0.00 0.00 -0.18 2.85 -1.24 -4.76 115.26 110.63 1cfe n ASN 79 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1cfe n ASN 79 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1cfe n ASN 79 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cfe n TYR 80 N 0.00 0.00 0.00 1.20 4.19 -1.26 -4.64 117.16 116.65 1cfe n TYR 80 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1cfe n TYR 80 Cb 0.00 0.00 0.00 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 n ALA 81 N -3.00 0.00 -0.70 2.98 0.00 -1.26 -4.08 120.51 114.45 1cfe n ALA 81 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1cfe n ALA 81 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1cfe n ALA 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cfe n THR 82 N 0.00 1.30 -4.01 0.00 -2.24 -1.26 -5.01 114.28 103.06 1cfe n THR 82 Ca 0.00 -1.49 -0.32 0.00 -2.27 0.00 0.00 64.05 59.97 1cfe n THR 82 Cb 0.00 0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.89 -4.35 -0.25 3.42 4.05 -1.26 -4.89 115.26 111.09 1cfe n ASN 83 Ca 0.08 -0.85 0.00 0.00 0.45 0.00 0.00 54.58 54.26 1cfe n ASN 83 Cb 0.48 -3.50 0.00 0.00 1.23 0.00 0.00 39.78 38.00 1cfe n ASN 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1cfe n GLN 84 N -4.58 0.00 -2.55 1.20 -0.00 -1.26 -4.97 117.38 105.22 1cfe n GLN 84 Ca 0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.78 1cfe n GLN 84 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.76 1cfe n GLN 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cfe s VAL 86 N -2.81 3.24 0.00 0.00 1.01 0.51 -3.61 120.40 118.75 1cfe s VAL 86 Ca 0.49 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1cfe s VAL 86 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1cfe s VAL 86 CO 0.45 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1cfe n GLY 87 N 4.16 0.62 0.00 4.51 0.00 -1.26 -4.38 105.19 108.83 1cfe n GLY 87 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 2.36 0.87 -0.02 0.00 -1.24 -5.15 105.19 102.00 1cfe n GLY 88 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 0.13 -1.02 1.61 4.01 -1.26 -5.04 118.16 116.59 1cfe n LYS 89 Ca 0.00 -0.85 -0.31 0.00 -0.51 0.00 0.00 58.31 56.64 1cfe n LYS 89 Cb 0.00 0.73 -0.03 0.00 -0.51 0.00 0.00 35.03 35.22 1cfe n LYS 89 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1cfe n LYS 90 N -0.16 2.31 -1.78 1.97 5.02 -1.26 -4.67 118.16 119.58 1cfe n LYS 90 Ca 0.02 -1.77 -0.38 0.00 -2.02 0.00 0.00 58.31 54.15 1cfe n LYS 90 Cb 0.16 -2.69 0.05 0.00 -0.02 0.00 0.00 35.03 32.53 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cfe n ARG 92 N -0.64 2.96 0.00 0.00 5.12 -1.26 -4.33 116.66 118.51 1cfe n ARG 92 Ca 0.56 -4.61 0.00 0.00 -1.93 0.00 0.00 57.85 51.87 1cfe n ARG 92 Cb 0.37 -2.34 0.00 0.00 -1.16 0.00 0.00 32.46 29.33 1cfe n ARG 92 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1cfe n HIS 93 N 1.26 -1.75 -0.23 -1.55 8.25 -1.26 -4.95 115.22 114.98 1cfe n HIS 93 Ca 0.27 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.71 1cfe n HIS 93 Cb 0.38 0.45 0.04 0.00 1.12 0.00 0.00 29.99 31.98 1cfe n HIS 93 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1cfe h TYR 94 N 0.00 -0.72 -1.05 4.41 3.20 -1.56 0.16 116.97 121.41 1cfe h TYR 94 Ca 0.00 0.07 0.35 0.00 3.14 0.00 0.00 58.73 62.29 1cfe h TYR 94 Cb 0.00 0.42 -0.15 0.00 1.54 0.00 0.00 36.73 38.54 1cfe h TYR 94 CO 0.00 -0.36 0.61 1.79 -1.64 0.00 0.00 178.16 178.57 1cfe h THR 95 N -0.09 0.25 0.04 1.81 1.35 -1.89 0.12 112.91 114.50 1cfe h THR 95 Ca 0.29 -0.09 -0.11 0.00 -0.55 0.00 0.00 66.41 65.95 1cfe h THR 95 Cb 0.55 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1cfe h THR 95 CO -0.73 0.05 -0.55 -0.61 -0.25 0.00 0.00 175.52 173.42 1cfe h GLN 96 N 0.25 0.08 -0.58 4.72 -0.00 -1.12 -2.54 115.11 115.93 1cfe h GLN 96 Ca 0.75 -0.14 0.12 0.00 -0.00 0.00 0.00 58.65 59.38 1cfe h GLN 96 Cb 1.87 0.05 -0.09 0.00 0.00 0.00 0.00 27.48 29.31 1cfe h GLN 96 CO -0.58 1.07 0.05 0.28 0.00 0.00 0.00 178.83 179.64 1cfe h VAL 97 N -0.81 0.57 -0.05 2.39 2.07 -0.39 -0.91 116.25 119.12 1cfe h VAL 97 Ca -0.13 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1cfe h VAL 97 Cb 1.26 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1cfe h VAL 97 CO -0.01 0.03 0.00 0.55 0.02 0.00 0.00 177.57 178.16 1cfe n VAL 98 N -5.22 0.06 -1.55 2.57 3.14 0.33 -4.85 118.33 112.81 1cfe n VAL 98 Ca 0.08 -0.12 -0.33 0.00 -2.96 0.00 0.00 64.34 61.02 1cfe n VAL 98 Cb 0.32 -0.07 -0.04 0.00 -1.06 0.00 0.00 33.84 32.99 1cfe n VAL 98 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1cfe n TRP 99 N -0.44 1.37 -0.34 1.45 -0.00 -0.35 -4.53 117.44 114.60 1cfe n TRP 99 Ca 0.17 0.10 0.26 0.00 -0.00 0.00 0.00 57.50 58.03 1cfe n TRP 99 Cb 0.17 -2.63 0.51 0.00 -0.00 0.00 0.00 31.31 29.36 1cfe n TRP 99 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 1cfe h ARG 100 N 18.48 0.25 -1.76 5.87 2.43 -1.01 -1.36 114.38 137.30 1cfe h ARG 100 Ca -0.20 -0.02 -0.36 0.00 -0.81 0.00 0.00 59.98 58.59 1cfe h ARG 100 Cb 1.23 -0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 1cfe h ARG 100 CO 1.14 0.17 0.33 0.09 -1.51 0.00 0.00 179.97 180.19 1cfe n ASN 101 N -5.04 6.33 -3.67 -3.80 4.13 -1.26 -4.59 115.26 107.35 1cfe n ASN 101 Ca 0.33 -3.04 -0.26 0.00 1.68 0.00 0.00 54.58 53.29 1cfe n ASN 101 Cb 1.06 -1.15 -0.17 0.00 -1.54 0.00 0.00 39.78 37.98 1cfe n ASN 101 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1cfe s SER 102 N 0.47 2.41 -0.04 6.41 0.01 -0.51 -3.62 113.70 118.83 1cfe s SER 102 Ca 0.43 -0.61 0.20 0.00 1.31 0.00 0.00 55.95 57.28 1cfe s SER 102 Cb 0.29 -0.36 -0.24 0.00 0.21 0.00 0.00 66.02 65.91 1cfe s SER 102 CO -0.08 -0.32 0.49 1.33 0.41 0.00 0.00 173.24 175.06 1cfe n VAL 103 N 5.20 0.66 -3.56 3.43 0.24 -0.75 -4.77 118.33 118.77 1cfe n VAL 103 Ca -0.07 -0.64 -0.29 0.00 -2.04 0.00 0.00 64.34 61.30 1cfe n VAL 103 Cb 0.48 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 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 -3.12 3.58 -0.08 7.34 0.52 -0.73 -1.78 118.95 124.69 1cfe s ARG 104 Ca -0.07 -0.16 -0.11 0.00 -0.52 0.00 0.00 55.73 54.86 1cfe s ARG 104 Cb 0.10 -2.77 0.03 0.00 0.52 0.00 0.00 34.95 32.83 1cfe s ARG 104 CO 0.86 0.35 0.29 -1.17 0.02 0.00 0.00 175.30 175.65 1cfe s LEU 105 N -3.26 0.90 -0.19 2.53 2.96 -1.02 -3.16 118.68 117.44 1cfe s LEU 105 Ca 0.41 0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 54.59 1cfe s LEU 105 Cb -0.11 1.08 0.05 0.00 0.50 0.00 0.00 46.19 47.71 1cfe s LEU 105 CO 0.28 -0.22 0.47 -0.83 -1.32 0.00 0.00 176.35 174.74 1cfe s GLY 106 N -0.36 -0.37 0.21 7.98 0.00 -0.55 -0.40 107.32 113.82 1cfe s GLY 106 Ca -0.05 1.52 0.06 0.00 0.00 0.00 0.00 44.72 46.25 1cfe s GLY 106 CO 0.02 1.48 -0.08 0.00 0.00 0.00 0.00 173.10 174.51 1cfe s GLY 108 N -3.30 -0.46 0.27 0.00 0.00 -0.03 -4.49 107.32 99.31 1cfe s GLY 108 Ca 0.24 1.79 0.06 0.00 0.00 0.00 0.00 44.72 46.81 1cfe s GLY 108 CO 0.07 1.69 0.39 -1.60 0.00 0.00 0.00 173.10 173.65 1cfe s ARG 109 N 0.82 3.33 0.12 2.90 3.52 -1.26 -0.67 118.95 127.71 1cfe s ARG 109 Ca -0.04 -0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 54.46 1cfe s ARG 109 Cb -0.05 -2.86 0.07 0.00 -1.56 0.00 0.00 34.95 30.55 1cfe s ARG 109 CO -0.07 0.31 0.77 0.00 -0.81 0.00 0.00 175.30 175.51 1cfe s ALA 110 N -2.04 -1.62 -0.18 6.12 0.00 -0.46 -4.57 121.76 119.00 1cfe s ALA 110 Ca 0.37 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 1cfe s ALA 110 Cb -0.09 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1cfe s ALA 110 CO 0.30 -0.83 0.03 0.50 0.00 0.00 0.00 175.76 175.75 1cfe s ARG 111 N -3.50 3.84 0.50 0.00 3.52 -1.26 -0.33 118.95 121.72 1cfe s ARG 111 Ca 0.06 -0.42 -0.23 0.00 -0.13 0.00 0.00 55.73 55.01 1cfe s ARG 111 Cb -0.02 -3.12 -0.06 0.00 -1.56 0.00 0.00 34.95 30.19 1cfe s ARG 111 CO -0.06 0.21 1.28 0.00 -0.81 0.00 0.00 175.30 175.93 1cfe h ASN 113 N 1.81 0.00 -0.14 0.00 4.21 -1.77 0.70 115.58 120.40 1cfe h ASN 113 Ca -0.50 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.01 1cfe h ASN 113 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1cfe h ASN 113 CO 0.59 0.00 0.00 -0.46 -1.29 0.00 0.00 177.43 176.27 1cfe n ASN 114 N -2.66 2.04 0.00 5.81 6.94 -1.26 -4.90 115.26 121.22 1cfe n ASN 114 Ca -0.01 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 1cfe n ASN 114 Cb 0.12 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1cfe n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cfe n GLY 115 N 0.19 3.13 3.76 4.83 0.00 0.24 -5.00 105.19 112.34 1cfe n GLY 115 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.77 2.49 0.37 1.61 0.52 -1.24 -4.25 118.94 116.67 1cfe s TRP 116 Ca 0.00 1.43 -0.17 0.00 0.02 0.00 0.00 56.10 57.38 1cfe s TRP 116 Cb 0.00 -3.66 -0.09 0.00 -1.15 0.00 0.00 33.47 28.56 1cfe s TRP 116 CO 0.00 -2.43 0.82 -1.58 0.02 0.00 0.00 176.95 173.77 1cfe s TRP 117 N -1.38 3.36 -0.09 -1.98 0.52 -0.30 -0.45 118.94 118.62 1cfe s TRP 117 Ca 0.69 1.34 -0.01 0.00 0.02 0.00 0.00 56.10 58.14 1cfe s TRP 117 Cb -0.36 -2.64 -0.03 0.00 -1.15 0.00 0.00 33.47 29.29 1cfe s TRP 117 CO 0.44 -0.00 -0.05 0.12 0.02 0.00 0.00 176.95 177.48 1cfe s PHE 118 N -2.10 3.01 -0.03 -1.98 5.36 0.55 -1.28 117.98 121.51 1cfe s PHE 118 Ca 0.57 0.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.57 1cfe s PHE 118 Cb -0.10 -1.78 -0.00 0.00 -0.34 0.00 0.00 43.02 40.80 1cfe s PHE 118 CO 0.17 0.29 -0.12 0.42 -1.46 0.00 0.00 175.22 174.53 1cfe s ILE 119 N -0.60 0.98 0.05 3.12 1.01 0.36 -1.36 121.20 124.76 1cfe s ILE 119 Ca 0.09 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.33 1cfe s ILE 119 Cb -0.12 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1cfe s ILE 119 CO 0.02 0.29 -0.18 -0.94 0.00 0.00 0.00 174.94 174.14 1cfe s SER 120 N 0.09 2.11 -0.08 3.58 1.04 0.16 -0.64 113.70 119.97 1cfe s SER 120 Ca -0.02 -0.52 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 1cfe s SER 120 Cb -0.09 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.91 1cfe s SER 120 CO 0.01 0.09 -0.03 0.00 0.98 0.00 0.00 173.24 174.28 1cfe s ASN 122 N 1.59 6.40 0.06 0.00 -0.87 0.07 -2.07 114.94 120.12 1cfe s ASN 122 Ca 0.00 0.36 0.03 0.00 -1.57 0.00 0.00 52.86 51.68 1cfe s ASN 122 Cb -0.13 -2.00 -0.03 0.00 -0.02 0.00 0.00 41.25 39.07 1cfe s ASN 122 CO -0.04 0.17 -0.09 -0.31 -2.57 0.00 0.00 177.10 174.26 1cfe s TYR 123 N -1.49 0.83 -0.14 2.20 1.51 -1.26 -1.49 117.35 117.51 1cfe s TYR 123 Ca 0.34 -0.55 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 1cfe s TYR 123 Cb -0.13 -0.48 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1cfe s TYR 123 CO 0.25 -0.06 0.36 0.34 -1.11 0.00 0.00 175.55 175.34 1cfe s ASP 124 N -1.84 -0.41 1.22 2.29 -1.08 -1.19 -4.37 116.67 111.28 1cfe s ASP 124 Ca -0.05 0.76 -0.14 0.00 -0.52 0.00 0.00 52.55 52.60 1cfe s ASP 124 Cb -0.08 0.71 0.31 0.00 -1.46 0.00 0.00 42.92 42.40 1cfe s ASP 124 CO 0.00 -0.15 1.01 -2.16 0.52 0.00 0.00 175.17 174.39 1cfe s PRO 125 N 0.73 -1.33 0.74 4.34 0.04 -1.24 -1.77 135.00 136.51 1cfe s PRO 125 Ca -0.04 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 1cfe s PRO 125 Cb -0.06 -1.52 0.04 0.00 0.04 0.00 0.00 34.50 33.01 1cfe s PRO 125 CO -0.05 -3.96 1.08 0.14 0.04 0.00 0.00 177.00 174.25 1cfe s VAL 126 N -2.43 3.53 0.02 -0.36 -7.23 -1.26 -4.34 120.40 108.32 1cfe s VAL 126 Ca 0.69 0.52 0.08 0.00 -1.81 0.00 0.00 61.98 61.46 1cfe s VAL 126 Cb -0.24 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 1cfe s VAL 126 CO 0.64 -0.63 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.73 1cfe s GLY 127 N -3.42 1.38 -1.28 2.32 0.00 -0.42 -4.45 107.32 101.44 1cfe s GLY 127 Ca 0.61 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 1cfe s GLY 127 CO 0.54 -1.04 0.16 0.70 0.00 0.00 0.00 173.10 173.46 1cfe n ASN 128 N 2.03 -4.49 -4.69 1.64 3.02 -1.26 -4.50 115.26 107.01 1cfe n ASN 128 Ca -0.16 -0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.01 1cfe n ASN 128 Cb 0.52 -3.75 -0.08 0.00 -0.61 0.00 0.00 39.78 35.86 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 -2.81 3.39 0.39 3.10 -0.11 -1.26 -5.05 118.94 116.59 1cfe s TRP 129 Ca 0.11 0.52 -0.26 0.00 1.22 0.00 0.00 56.10 57.69 1cfe s TRP 129 Cb -0.05 -2.40 -0.11 0.00 -1.50 0.00 0.00 33.47 29.41 1cfe s TRP 129 CO 0.13 0.10 1.16 1.51 -4.62 0.00 0.00 176.95 175.23 1cfe n ILE 130 N 4.05 2.36 0.00 5.86 3.06 -1.26 -3.46 119.36 129.97 1cfe n ILE 130 Ca -0.11 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.64 1cfe n ILE 130 Cb 0.52 -1.37 0.00 0.00 0.54 0.00 0.00 39.64 39.32 1cfe n ILE 130 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1cfe n GLY 131 N 0.97 2.42 3.97 4.50 0.00 -1.26 -5.06 105.19 110.73 1cfe n GLY 131 Ca 0.07 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 1.43 0.11 1.61 1.11 -1.22 -5.13 119.66 117.58 1cfe s GLN 132 Ca 0.00 -0.86 0.06 0.00 0.01 0.00 0.00 55.36 54.57 1cfe s GLN 132 Cb 0.00 -2.19 -0.04 0.00 -1.01 0.00 0.00 33.01 29.78 1cfe s GLN 132 CO 0.00 -1.69 -0.14 1.03 0.01 0.00 0.00 175.29 174.50 1cfe s ARG 133 N -5.35 0.99 -0.02 2.91 0.52 -1.26 -4.84 118.95 111.90 1cfe s ARG 133 Ca 0.68 -1.20 -0.20 0.00 -0.52 0.00 0.00 55.73 54.48 1cfe s ARG 133 Cb -0.05 -0.88 -0.12 0.00 0.52 0.00 0.00 34.95 34.42 1cfe s ARG 133 CO 0.47 0.17 0.87 -1.00 0.02 0.00 0.00 175.30 175.82 1cfe h PRO 134 N 3.61 -0.56 0.00 3.54 0.13 -1.89 -3.38 132.00 133.44 1cfe h PRO 134 Ca -0.40 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1cfe h PRO 134 Cb 1.19 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1cfe h PRO 134 CO 0.49 -0.30 0.00 2.48 -0.23 0.00 0.00 178.00 180.45