#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 1.65 -4.93 1.08 6.94 -1.26 -0.86 115.26 117.88 1cfe n ASN 2 Ca 0.00 -2.35 -0.19 0.00 -0.02 0.00 0.00 54.58 52.01 1cfe n ASN 2 Cb 0.00 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.01 1cfe n ASN 2 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1cfe s SER 3 N -2.97 5.28 0.07 0.53 0.01 -1.26 -4.97 113.70 110.39 1cfe s SER 3 Ca 0.33 -0.62 -0.24 0.00 1.31 0.00 0.00 55.95 56.73 1cfe s SER 3 Cb 0.36 -0.61 -0.16 0.00 0.21 0.00 0.00 66.02 65.82 1cfe s SER 3 CO -0.09 -0.69 1.63 1.55 0.41 0.00 0.00 173.24 176.05 1cfe h PRO 4 N 0.89 -0.07 -0.11 12.44 0.13 -2.00 -2.11 132.00 141.17 1cfe h PRO 4 Ca -0.41 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1cfe h PRO 4 Cb 1.27 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1cfe h PRO 4 CO 0.53 0.05 0.20 -0.56 -0.23 0.00 0.00 178.00 177.98 1cfe h GLN 5 N -0.16 0.00 0.03 0.86 3.07 -1.97 -2.13 115.11 114.80 1cfe h GLN 5 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1cfe h GLN 5 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 1cfe h GLN 5 CO 0.01 0.00 -0.01 -0.44 0.09 0.00 0.00 178.83 178.48 1cfe h ASP 6 N 0.00 -0.03 0.07 0.06 3.32 -1.75 0.44 116.42 118.53 1cfe h ASP 6 Ca 0.05 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.69 1cfe h ASP 6 Cb 0.44 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1cfe h ASP 6 CO -0.00 0.41 -0.09 1.88 -1.72 0.00 0.00 179.24 179.72 1cfe h TYR 7 N -0.48 -0.24 -0.93 4.55 -1.99 -1.40 -2.50 116.97 113.98 1cfe h TYR 7 Ca -0.00 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.84 1cfe h TYR 7 Cb 0.45 0.10 -0.07 0.00 2.00 0.00 0.00 36.73 39.20 1cfe h TYR 7 CO 0.08 -0.15 0.60 -0.07 -0.00 0.00 0.00 178.16 178.62 1cfe h LEU 8 N -0.20 0.81 0.34 3.88 3.38 -1.41 -0.72 115.31 121.40 1cfe h LEU 8 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1cfe h LEU 8 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1cfe h LEU 8 CO -0.04 0.45 -0.27 0.00 0.09 0.00 0.00 178.44 178.66 1cfe h ALA 9 N 1.56 -0.62 -0.44 1.53 0.00 0.31 0.19 119.26 121.78 1cfe h ALA 9 Ca 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1cfe h ALA 9 Cb 0.51 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1cfe h ALA 9 CO -0.21 -0.87 0.19 0.28 0.00 0.00 0.00 179.25 178.63 1cfe h VAL 10 N -0.62 1.20 0.09 0.00 2.07 -1.06 0.19 116.25 118.11 1cfe h VAL 10 Ca -0.03 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1cfe h VAL 10 Cb 0.55 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1cfe h VAL 10 CO -0.01 0.22 -0.20 0.45 0.02 0.00 0.00 177.57 178.04 1cfe h HIS 11 N 0.57 -0.54 -0.37 1.57 -0.00 -0.94 -0.82 115.15 114.63 1cfe h HIS 11 Ca 0.15 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1cfe h HIS 11 Cb 0.17 0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1cfe h HIS 11 CO -0.00 -0.29 0.13 -0.91 -0.00 0.00 0.00 177.93 176.86 1cfe h ASN 12 N -0.38 0.47 0.61 2.45 2.35 -0.37 0.77 115.58 121.48 1cfe h ASN 12 Ca 0.03 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1cfe h ASN 12 Cb 0.41 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1cfe h ASN 12 CO -0.13 0.44 -0.43 -0.78 -1.65 0.00 0.00 177.43 174.88 1cfe h ASP 13 N 0.52 -1.11 -0.01 5.81 1.82 -0.08 0.26 116.42 123.62 1cfe h ASP 13 Ca 0.13 0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.86 1cfe h ASP 13 Cb 0.13 0.34 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 1cfe h ASP 13 CO -0.01 -0.64 -0.12 0.00 -1.61 0.00 0.00 179.24 176.86 1cfe h ALA 14 N -0.76 -0.12 -0.51 -0.78 0.00 -0.64 0.13 119.26 116.58 1cfe h ALA 14 Ca -0.07 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1cfe h ALA 14 Cb 0.83 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1cfe h ALA 14 CO 0.04 -0.60 0.16 0.00 0.00 0.00 0.00 179.25 178.85 1cfe h ARG 15 N -0.19 0.32 -0.32 0.00 3.08 -0.84 -1.49 114.38 114.93 1cfe h ARG 15 Ca 0.05 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1cfe h ARG 15 Cb 0.25 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1cfe h ARG 15 CO -0.13 0.21 -0.03 0.00 -1.07 0.00 0.00 179.97 178.95 1cfe h ALA 16 N 1.36 0.26 -0.96 0.04 0.00 0.04 0.97 119.26 120.97 1cfe h ALA 16 Ca 0.25 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.41 1cfe h ALA 16 Cb 0.29 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1cfe h ALA 16 CO -0.27 -0.43 0.57 1.96 0.00 0.00 0.00 179.25 181.08 1cfe h GLN 17 N 0.05 0.79 -0.53 0.00 4.20 0.06 -0.98 115.11 118.71 1cfe h GLN 17 Ca 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1cfe h GLN 17 Cb 0.22 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1cfe h GLN 17 CO -0.29 0.52 0.00 1.33 -0.67 0.00 0.00 178.83 179.73 1cfe n VAL 18 N -4.74 2.68 -3.79 -0.54 0.24 -0.86 -4.96 118.33 106.36 1cfe n VAL 18 Ca 0.20 -1.47 -0.28 0.00 -2.04 0.00 0.00 64.34 60.75 1cfe n VAL 18 Cb 0.45 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.47 -0.59 3.46 7.63 0.00 -0.37 -4.98 105.19 110.82 1cfe n GLY 19 Ca 0.27 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.69 3.87 0.33 1.61 1.01 0.20 -5.02 120.40 118.71 1cfe s VAL 20 Ca 0.22 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 1cfe s VAL 20 Cb -0.08 -2.73 -0.12 0.00 0.00 0.00 0.00 36.38 33.45 1cfe s VAL 20 CO 0.86 0.46 1.32 0.61 0.00 0.00 0.00 175.10 178.36 1cfe n GLY 21 N 3.94 0.66 0.00 4.51 0.00 -1.26 -4.18 105.19 108.86 1cfe n GLY 21 Ca -0.17 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1cfe n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cfe n PRO 22 N 0.80 3.40 -3.90 1.61 -0.04 -1.26 -4.83 135.00 130.78 1cfe n PRO 22 Ca 0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1cfe n PRO 22 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.00 2.11 0.25 0.54 0.23 -1.26 -4.76 119.30 116.41 1cfe s MET 23 Ca 0.00 -1.52 0.03 0.00 -1.03 0.00 0.00 55.69 53.17 1cfe s MET 23 Cb 0.00 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.81 1cfe s MET 23 CO 0.00 -0.95 0.04 -1.54 -2.03 0.00 0.00 175.02 170.54 1cfe s SER 24 N -3.12 1.69 -0.60 -1.18 1.04 0.06 -5.01 113.70 106.60 1cfe s SER 24 Ca 0.20 -1.30 -0.27 0.00 0.48 0.00 0.00 55.95 55.06 1cfe s SER 24 Cb -0.04 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.16 1cfe s SER 24 CO 0.14 -0.60 1.17 0.86 0.98 0.00 0.00 173.24 175.79 1cfe s TRP 25 N -3.52 2.59 -0.48 5.02 -0.11 -1.26 -1.07 118.94 120.12 1cfe s TRP 25 Ca 0.33 0.29 -0.26 0.00 1.22 0.00 0.00 56.10 57.67 1cfe s TRP 25 Cb 0.07 -4.48 0.03 0.00 -1.50 0.00 0.00 33.47 27.59 1cfe s TRP 25 CO 0.11 -1.63 0.99 0.34 -4.62 0.00 0.00 176.95 172.15 1cfe s ASP 26 N 3.06 6.52 0.58 5.86 -1.08 0.02 -4.89 116.67 126.74 1cfe s ASP 26 Ca 0.40 0.17 0.34 0.00 -0.52 0.00 0.00 52.55 52.94 1cfe s ASP 26 Cb -0.08 -2.48 1.79 0.00 -1.46 0.00 0.00 42.92 40.69 1cfe s ASP 26 CO 0.23 -1.14 2.18 0.00 0.52 0.00 0.00 175.17 176.96 1cfe h ALA 27 N 9.16 1.18 0.02 3.66 0.00 -1.94 -0.66 119.26 130.67 1cfe h ALA 27 Ca -0.24 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 1cfe h ALA 27 Cb 1.07 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cfe h ALA 27 CO 1.06 0.06 -0.99 -0.91 0.00 0.00 0.00 179.25 178.47 1cfe h ASN 28 N 0.00 0.56 -0.50 0.00 2.35 -1.95 0.69 115.58 116.73 1cfe h ASN 28 Ca -0.00 -0.47 -0.11 0.00 -0.55 0.00 0.00 56.30 55.17 1cfe h ASN 28 Cb 0.22 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1cfe h ASN 28 CO 0.01 1.28 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.87 1cfe h LEU 29 N 0.23 0.98 0.15 1.61 3.38 -1.61 -0.52 115.31 119.52 1cfe h LEU 29 Ca -0.09 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1cfe h LEU 29 Cb 1.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1cfe h LEU 29 CO 0.17 1.12 -0.14 0.00 0.09 0.00 0.00 178.44 179.68 1cfe h ALA 30 N 0.90 -0.29 0.25 1.53 0.00 -1.01 0.24 119.26 120.88 1cfe h ALA 30 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cfe h ALA 30 Cb 0.69 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1cfe h ALA 30 CO 0.05 -0.68 -0.29 0.66 0.00 0.00 0.00 179.25 178.99 1cfe h SER 31 N -0.32 -0.81 -0.75 0.00 4.64 -0.84 -0.07 113.55 115.40 1cfe h SER 31 Ca 0.00 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1cfe h SER 31 Cb 0.30 0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1cfe h SER 31 CO -0.04 -0.41 0.49 -0.09 -0.87 0.00 0.00 176.83 175.91 1cfe h ARG 32 N -0.59 0.97 -0.08 4.77 1.12 -0.96 0.13 114.38 119.74 1cfe h ARG 32 Ca -0.00 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 1cfe h ARG 32 Cb 0.56 -0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1cfe h ARG 32 CO -0.09 0.64 -0.02 0.00 -3.11 0.00 0.00 179.97 177.40 1cfe h ALA 33 N 1.28 0.11 -0.15 2.80 0.00 -0.29 0.14 119.26 123.15 1cfe h ALA 33 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cfe h ALA 33 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cfe h ALA 33 CO -0.06 -0.16 0.09 0.37 0.00 0.00 0.00 179.25 179.48 1cfe h GLN 34 N -0.18 0.20 -0.12 0.00 5.75 -0.78 -0.13 115.11 119.84 1cfe h GLN 34 Ca 0.02 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1cfe h GLN 34 Cb 0.43 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1cfe h GLN 34 CO 0.01 0.15 -0.08 -0.91 -2.65 0.00 0.00 178.83 175.36 1cfe h ASN 35 N 0.18 -0.25 0.11 -0.69 4.21 -0.73 0.51 115.58 118.92 1cfe h ASN 35 Ca 0.05 0.06 0.02 0.00 1.21 0.00 0.00 56.30 57.64 1cfe h ASN 35 Cb 0.00 0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.30 1cfe h ASN 35 CO -0.01 -0.10 -0.24 0.22 -1.29 0.00 0.00 177.43 176.00 1cfe h TYR 36 N -0.08 -0.64 -0.73 1.19 5.03 -0.43 0.12 116.97 121.44 1cfe h TYR 36 Ca 0.07 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.46 1cfe h TYR 36 Cb 0.19 0.27 -0.06 0.00 1.55 0.00 0.00 36.73 38.68 1cfe h TYR 36 CO -0.20 -0.34 0.41 0.00 -1.32 0.00 0.00 178.16 176.71 1cfe h ALA 37 N 0.33 0.99 0.47 1.82 0.00 -0.74 0.21 119.26 122.34 1cfe h ALA 37 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1cfe h ALA 37 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1cfe h ALA 37 CO -0.14 0.09 -0.35 -0.91 0.00 0.00 0.00 179.25 177.94 1cfe h ASN 38 N 0.75 -0.93 -0.01 0.00 2.35 -0.42 -2.61 115.58 114.71 1cfe h ASN 38 Ca 0.33 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 56.08 1cfe h ASN 38 Cb 0.21 0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1cfe h ASN 38 CO -0.19 -0.51 -0.14 0.77 -1.65 0.00 0.00 177.43 175.72 1cfe h SER 39 N -0.79 0.29 -0.70 5.81 4.64 -0.47 -3.00 113.55 119.33 1cfe h SER 39 Ca -0.06 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 60.96 1cfe h SER 39 Cb 0.65 -0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 62.53 1cfe h SER 39 CO 0.02 0.46 0.27 -1.14 -0.87 0.00 0.00 176.83 175.56 1cfe n ARG 40 N -4.25 3.36 0.00 4.77 0.00 0.72 -4.71 116.66 116.54 1cfe n ARG 40 Ca -0.00 -3.08 0.00 0.00 -0.00 0.00 0.00 57.85 54.77 1cfe n ARG 40 Cb 0.29 -2.15 0.00 0.00 0.00 0.00 0.00 32.46 30.59 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cfe n ALA 41 N -0.37 0.00 0.00 5.13 0.00 -0.99 -4.75 120.51 119.52 1cfe n ALA 41 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1cfe n ALA 41 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.81 1cfe n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cfe n GLY 42 N 1.69 1.34 0.00 0.00 0.00 -1.26 -3.67 105.19 103.28 1cfe n GLY 42 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1cfe n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfe n ASP 43 N 3.10 0.00 0.00 1.61 9.92 -1.26 -4.47 116.55 125.45 1cfe n ASP 43 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1cfe n ASP 43 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.00 6.85 -1.33 0.00 0.01 -1.26 -4.94 114.94 114.27 1cfe s ASN 45 Ca 0.00 1.02 -0.15 0.00 -0.71 0.00 0.00 52.86 53.02 1cfe s ASN 45 Cb 0.00 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1cfe s ASN 45 CO 0.00 -0.06 2.18 0.18 -1.51 0.00 0.00 177.10 177.89 1cfe n LEU 46 N 3.73 6.37 -4.86 0.60 4.77 -1.26 -4.89 117.00 121.47 1cfe n LEU 46 Ca -0.04 -3.90 -0.35 0.00 -0.03 0.00 0.00 56.01 51.69 1cfe n LEU 46 Cb 0.51 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 39.99 1cfe n LEU 46 CO 0.45 0.85 -0.19 -0.63 -1.33 0.00 0.00 177.39 176.54 1cfe s ILE 47 N 3.52 5.25 0.25 -0.08 1.01 -1.26 -4.98 121.20 124.92 1cfe s ILE 47 Ca 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1cfe s ILE 47 Cb 0.14 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1cfe s ILE 47 CO -0.05 0.46 0.00 1.57 0.00 0.00 0.00 174.94 176.92 1cfe n HIS 48 N 1.48 -2.08 0.00 3.97 -0.00 -1.26 -5.02 115.22 112.30 1cfe n HIS 48 Ca -0.15 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.39 1cfe n HIS 48 Cb 0.54 0.48 0.00 0.00 -0.12 0.00 0.00 29.99 30.89 1cfe n HIS 48 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1cfe n SER 49 N -3.47 0.00 -0.32 0.26 3.41 -1.26 -5.04 113.62 107.20 1cfe n SER 49 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cfe n SER 49 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.97 2.60 5.00 0.00 -1.26 -5.03 105.19 107.47 1cfe n GLY 50 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.62 3.22 -0.01 4.61 0.00 -1.26 -4.80 120.51 120.65 1cfe n ALA 51 Ca 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.48 1cfe n ALA 51 Cb 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 2.06 0.96 3.18 0.00 0.00 -1.22 -4.68 105.19 105.48 1cfe n GLY 52 Ca 0.25 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 0.08 0.90 0.10 1.61 8.01 -1.26 -1.23 118.70 126.91 1cfe s GLU 53 Ca 0.00 -1.39 -0.06 0.00 0.01 0.00 0.00 54.97 53.53 1cfe s GLU 53 Cb 0.00 -0.16 -0.02 0.00 -4.31 0.00 0.00 34.13 29.64 1cfe s GLU 53 CO 0.00 -0.08 0.13 0.54 0.01 0.00 0.00 175.26 175.86 1cfe s ASN 54 N -3.07 0.23 0.21 -0.19 2.20 -1.26 -4.92 114.94 108.14 1cfe s ASN 54 Ca 0.16 -0.86 -0.07 0.00 -0.94 0.00 0.00 52.86 51.15 1cfe s ASN 54 Cb 0.06 0.31 -0.02 0.00 -2.00 0.00 0.00 41.25 39.60 1cfe s ASN 54 CO -0.02 -0.72 0.29 -0.76 -2.94 0.00 0.00 177.10 172.94 1cfe s LEU 55 N -2.92 0.83 0.26 3.54 1.43 -1.26 -2.76 118.68 117.79 1cfe s LEU 55 Ca 0.10 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 1cfe s LEU 55 Cb 0.06 1.05 0.01 0.00 0.03 0.00 0.00 46.19 47.33 1cfe s LEU 55 CO -0.07 -0.96 0.59 0.00 0.23 0.00 0.00 176.35 176.14 1cfe s ALA 56 N -4.07 -0.70 0.25 4.21 0.00 0.58 -4.99 121.76 117.04 1cfe s ALA 56 Ca 0.28 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.47 1cfe s ALA 56 Cb 0.03 0.97 0.01 0.00 0.00 0.00 0.00 23.12 24.13 1cfe s ALA 56 CO 0.08 -0.93 0.58 -1.59 0.00 0.00 0.00 175.76 173.90 1cfe s LYS 57 N -3.97 1.62 0.24 0.00 -2.85 -1.26 -0.89 119.74 112.63 1cfe s LYS 57 Ca 0.17 -1.09 -0.21 0.00 -1.00 0.00 0.00 55.97 53.84 1cfe s LYS 57 Cb -0.03 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.33 1cfe s LYS 57 CO 0.08 -0.70 0.90 0.20 0.10 0.00 0.00 175.35 175.93 1cfe s GLY 58 N -2.96 0.06 -0.06 0.59 0.00 -0.89 -4.97 107.32 99.09 1cfe s GLY 58 Ca 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 44.72 44.54 1cfe s GLY 58 CO 0.06 0.64 0.15 -1.33 0.00 0.00 0.00 173.10 172.63 1cfe h GLY 59 N 2.00 -0.11 -0.91 0.20 0.00 -1.94 -0.03 103.07 102.29 1cfe h GLY 59 Ca -0.27 0.04 -0.41 0.00 0.00 0.00 0.00 47.33 46.70 1cfe h GLY 59 CO 0.32 -0.04 0.16 0.61 0.00 0.00 0.00 176.54 177.59 1cfe n GLY 60 N 1.49 -2.62 3.45 4.60 0.00 -1.26 -4.14 105.19 106.72 1cfe n GLY 60 Ca -0.01 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.77 2.03 -2.58 1.61 5.75 -1.26 -4.41 116.55 112.93 1cfe n ASP 61 Ca 0.16 -2.60 -0.20 0.00 -0.01 0.00 0.00 54.79 52.14 1cfe n ASP 61 Cb 0.59 -1.32 -0.10 0.00 -1.03 0.00 0.00 41.12 39.27 1cfe n ASP 61 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1cfe n PHE 62 N 13.13 0.90 0.00 2.11 7.35 -1.26 -4.93 117.46 134.76 1cfe n PHE 62 Ca 0.45 -1.92 0.00 0.00 -0.76 0.00 0.00 57.45 55.22 1cfe n PHE 62 Cb 0.44 -1.78 0.00 0.00 0.35 0.00 0.00 39.48 38.49 1cfe n PHE 62 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1cfe n THR 63 N 3.08 0.00 0.00 -2.13 -2.24 -1.26 -4.63 114.28 107.10 1cfe n THR 63 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1cfe n THR 63 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1cfe n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cfe n GLY 64 N 0.00 0.91 0.14 3.38 0.00 -1.04 -4.66 105.19 103.92 1cfe n GLY 64 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1cfe n GLY 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1cfe h ARG 65 N 0.00 0.04 -0.61 1.61 2.43 -1.29 -1.56 114.38 115.00 1cfe h ARG 65 Ca 0.00 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1cfe h ARG 65 Cb 0.00 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1cfe h ARG 65 CO 0.00 0.03 0.40 0.00 -1.51 0.00 0.00 179.97 178.89 1cfe h ALA 66 N 1.28 1.75 0.56 2.80 0.00 -1.85 0.21 119.26 124.02 1cfe h ALA 66 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1cfe h ALA 66 Cb 0.21 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cfe h ALA 66 CO -0.28 0.16 -0.27 0.00 0.00 0.00 0.00 179.25 178.86 1cfe h ALA 67 N 1.66 -0.75 -0.88 0.00 0.00 -1.57 0.19 119.26 117.90 1cfe h ALA 67 Ca 0.26 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1cfe h ALA 67 Cb 0.20 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1cfe h ALA 67 CO -0.07 -0.90 0.57 0.28 0.00 0.00 0.00 179.25 179.13 1cfe h VAL 68 N -0.81 1.13 -0.87 0.00 2.07 -0.57 -0.41 116.25 116.80 1cfe h VAL 68 Ca -0.08 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1cfe h VAL 68 Cb 0.60 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1cfe h VAL 68 CO 0.13 0.20 0.55 1.56 0.02 0.00 0.00 177.57 180.03 1cfe h GLN 69 N 1.09 1.01 -0.54 1.57 4.20 -0.46 0.13 115.11 122.11 1cfe h GLN 69 Ca 0.36 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 1cfe h GLN 69 Cb 0.04 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1cfe h GLN 69 CO -0.13 0.67 0.25 1.25 -0.67 0.00 0.00 178.83 180.20 1cfe h LEU 70 N 1.04 0.68 -0.41 1.46 5.85 0.95 0.21 115.31 125.08 1cfe h LEU 70 Ca 0.36 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 1cfe h LEU 70 Cb 0.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1cfe h LEU 70 CO -0.14 0.59 0.04 -0.50 -0.34 0.00 0.00 178.44 178.09 1cfe h TRP 71 N 0.76 0.76 0.00 1.25 6.55 0.06 -2.43 115.95 122.89 1cfe h TRP 71 Ca 0.19 -0.12 -0.03 0.00 0.95 0.00 0.00 58.89 59.88 1cfe h TRP 71 Cb 0.09 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.19 1cfe h TRP 71 CO 0.01 0.74 -0.15 0.28 -1.05 0.00 0.00 178.44 178.27 1cfe h VAL 72 N 0.55 0.63 0.00 1.49 2.07 0.58 -2.13 116.25 119.44 1cfe h VAL 72 Ca 0.12 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1cfe h VAL 72 Cb 0.42 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1cfe h VAL 72 CO 0.01 0.15 0.00 -1.20 0.02 0.00 0.00 177.57 176.55 1cfe n SER 73 N -3.66 0.00 0.00 0.57 7.64 0.59 -0.21 113.62 118.55 1cfe n SER 73 Ca -0.02 -0.26 0.06 0.00 1.01 0.00 0.00 58.87 59.67 1cfe n SER 73 Cb 0.27 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 63.85 1cfe n SER 73 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cfe n GLU 74 N -0.95 0.54 -0.26 1.43 -0.58 -0.80 -4.38 120.64 115.63 1cfe n GLU 74 Ca 0.05 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1cfe n GLU 74 Cb 0.02 -1.37 0.03 0.00 -0.57 0.00 0.00 31.44 29.55 1cfe n GLU 74 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1cfe n ARG 75 N -0.87 -0.16 -0.32 3.49 3.00 0.71 -0.41 116.66 122.10 1cfe n ARG 75 Ca 0.10 1.07 0.02 0.00 -0.00 0.00 0.00 57.85 59.03 1cfe n ARG 75 Cb 0.04 -1.58 0.09 0.00 0.00 0.00 0.00 32.46 31.01 1cfe n ARG 75 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1cfe h PRO 76 N 0.00 -0.02 0.00 -0.14 0.13 -1.88 -0.00 132.00 130.10 1cfe h PRO 76 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1cfe h PRO 76 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1cfe h PRO 76 CO -0.69 -0.01 -0.29 -1.13 -0.23 0.00 0.00 178.00 175.66 1cfe n SER 77 N -5.54 0.71 -4.60 1.44 3.41 0.45 -4.75 113.62 104.74 1cfe n SER 77 Ca 0.12 0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 1cfe n SER 77 Cb 0.43 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1cfe n SER 77 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1cfe s TYR 78 N -3.12 3.05 -0.08 7.33 5.04 -0.02 -1.84 117.35 127.71 1cfe s TYR 78 Ca 0.09 0.77 -0.23 0.00 -2.44 0.00 0.00 57.07 55.26 1cfe s TYR 78 Cb 0.13 -3.75 0.05 0.00 0.35 0.00 0.00 41.96 38.75 1cfe s TYR 78 CO 0.65 -0.89 0.54 1.21 -1.34 0.00 0.00 175.55 175.73 1cfe s ASN 79 N 1.94 -0.51 0.00 4.32 3.84 -1.26 -4.86 114.94 118.42 1cfe s ASN 79 Ca 0.40 0.65 0.00 0.00 0.21 0.00 0.00 52.86 54.12 1cfe s ASN 79 Cb -0.11 0.64 0.00 0.00 -0.55 0.00 0.00 41.25 41.23 1cfe s ASN 79 CO 0.20 -0.45 0.00 0.00 -2.79 0.00 0.00 177.10 174.06 1cfe n TYR 80 N 1.52 0.00 0.00 0.43 9.36 -1.26 -3.90 117.16 123.30 1cfe n TYR 80 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1cfe n TYR 80 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cfe n ALA 81 N -3.00 0.00 0.63 2.98 0.00 -1.26 -4.25 120.51 115.61 1cfe n ALA 81 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1cfe n ALA 81 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 0.13 -3.74 0.00 -2.24 -1.26 -5.02 114.28 102.15 1cfe n THR 82 Ca 0.00 -0.56 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 1cfe n THR 82 Cb 0.00 1.27 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.05 -5.20 0.00 3.42 2.85 -1.26 -4.96 115.26 111.16 1cfe n ASN 83 Ca 0.12 -0.96 0.00 0.00 -0.11 0.00 0.00 54.58 53.63 1cfe n ASN 83 Cb 0.47 -2.66 0.00 0.00 1.24 0.00 0.00 39.78 38.82 1cfe n ASN 83 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cfe n GLN 84 N -3.62 0.00 -2.70 1.20 -0.00 -1.25 -5.06 117.38 105.95 1cfe n GLN 84 Ca -0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 56.78 1cfe n GLN 84 Cb 0.61 0.00 0.09 0.00 -0.00 0.00 0.00 30.24 30.93 1cfe n GLN 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cfe n VAL 86 N -0.11 -4.61 0.00 0.00 0.31 -0.77 -1.88 118.33 111.28 1cfe n VAL 86 Ca -0.05 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1cfe n VAL 86 Cb 0.75 -3.59 0.00 0.00 -0.91 0.00 0.00 33.84 30.10 1cfe n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cfe n GLY 87 N -1.79 1.50 3.94 2.92 0.00 -1.26 -4.79 105.19 105.71 1cfe n GLY 87 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.92 1.27 0.00 -0.02 0.00 -0.79 -4.87 105.19 99.86 1cfe n GLY 88 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.29 -3.87 1.61 4.76 -1.26 -4.53 118.16 116.15 1cfe n LYS 89 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1cfe n LYS 89 Cb 0.00 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 1cfe n LYS 89 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1cfe n LYS 90 N 0.00 -5.84 0.03 1.97 4.81 -1.26 -4.65 118.16 113.23 1cfe n LYS 90 Ca 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1cfe n LYS 90 Cb 0.00 -5.54 0.00 0.00 0.02 0.00 0.00 35.03 29.51 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cfe n ARG 92 N -2.69 0.00 -0.03 0.00 5.12 -1.26 -3.75 116.66 114.05 1cfe n ARG 92 Ca 0.00 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 1cfe n ARG 92 Cb 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 1cfe n ARG 92 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1cfe h HIS 93 N 0.00 0.56 -0.18 -1.55 3.86 -1.96 -3.00 115.15 112.88 1cfe h HIS 93 Ca 0.00 -0.25 0.04 0.00 -1.16 0.00 0.00 60.37 59.01 1cfe h HIS 93 Cb 0.00 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1cfe h HIS 93 CO 0.00 1.00 -0.10 -0.92 0.86 0.00 0.00 177.93 178.78 1cfe h TYR 94 N -0.04 -0.23 -0.58 2.45 3.20 -1.70 0.40 116.97 120.47 1cfe h TYR 94 Ca -0.03 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.97 1cfe h TYR 94 Cb 1.05 0.13 -0.11 0.00 1.54 0.00 0.00 36.73 39.34 1cfe h TYR 94 CO 0.12 -0.15 -0.30 1.79 -1.64 0.00 0.00 178.16 177.98 1cfe h THR 95 N -0.08 0.21 -0.15 1.81 1.35 -1.85 0.68 112.91 114.88 1cfe h THR 95 Ca 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.95 1cfe h THR 95 Cb 0.23 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 1cfe h THR 95 CO -0.23 0.00 0.04 -0.61 -0.25 0.00 0.00 175.52 174.47 1cfe h GLN 96 N -0.14 0.23 -0.36 4.72 5.75 -1.17 -1.12 115.11 123.02 1cfe h GLN 96 Ca 0.24 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.76 1cfe h GLN 96 Cb 0.54 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.99 1cfe h GLN 96 CO -0.66 0.37 -0.09 0.28 -2.65 0.00 0.00 178.83 176.07 1cfe h VAL 97 N 0.05 0.63 -0.01 2.39 2.07 -0.25 -2.02 116.25 119.11 1cfe h VAL 97 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1cfe h VAL 97 Cb 0.23 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1cfe h VAL 97 CO -0.00 0.00 0.00 0.55 0.02 0.00 0.00 177.57 178.14 1cfe n VAL 98 N -5.29 0.01 -1.87 2.57 3.14 0.17 -4.86 118.33 112.20 1cfe n VAL 98 Ca 0.01 -0.10 -0.26 0.00 -2.96 0.00 0.00 64.34 61.04 1cfe n VAL 98 Cb 0.20 -0.12 -0.05 0.00 -1.06 0.00 0.00 33.84 32.81 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 -1.99 1.53 0.22 1.45 -0.11 -0.44 -4.57 118.94 115.02 1cfe s TRP 99 Ca 0.43 1.11 -0.08 0.00 1.22 0.00 0.00 56.10 58.78 1cfe s TRP 99 Cb 0.21 -3.84 0.33 0.00 -1.50 0.00 0.00 33.47 28.66 1cfe s TRP 99 CO 0.35 -1.88 1.26 -2.13 -4.62 0.00 0.00 176.95 169.93 1cfe n ARG 100 N 8.92 -0.10 -0.28 5.86 3.00 0.53 -0.31 116.66 134.28 1cfe n ARG 100 Ca 0.38 1.26 0.08 0.00 -0.00 0.00 0.00 57.85 59.57 1cfe n ARG 100 Cb 0.48 -1.87 0.31 0.00 0.00 0.00 0.00 32.46 31.37 1cfe n ARG 100 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1cfe h ASN 101 N 0.00 0.78 -3.26 6.15 -1.24 -1.81 -3.36 115.58 112.84 1cfe h ASN 101 Ca 0.36 0.03 -0.59 0.00 0.71 0.00 0.00 56.30 56.81 1cfe h ASN 101 Cb 0.56 -0.14 -0.10 0.00 0.73 0.00 0.00 38.32 39.38 1cfe h ASN 101 CO -0.82 0.45 0.74 -0.44 -1.29 0.00 0.00 177.43 176.06 1cfe s SER 102 N -5.90 6.40 0.09 1.15 0.01 0.58 -4.27 113.70 111.77 1cfe s SER 102 Ca -0.11 -0.11 0.22 0.00 1.31 0.00 0.00 55.95 57.27 1cfe s SER 102 Cb 0.21 -2.49 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 1cfe s SER 102 CO 0.79 -1.31 0.88 1.33 0.41 0.00 0.00 173.24 175.34 1cfe n VAL 103 N 6.42 0.32 -3.91 3.43 0.24 -1.24 -4.82 118.33 118.78 1cfe n VAL 103 Ca 0.05 -0.45 -0.31 0.00 -2.04 0.00 0.00 64.34 61.59 1cfe n VAL 103 Cb 0.48 -0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 32.72 1cfe n VAL 103 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cfe s ARG 104 N -3.36 3.45 0.04 7.34 1.70 -1.25 -0.76 118.95 126.11 1cfe s ARG 104 Ca -0.02 -0.42 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 1cfe s ARG 104 Cb 0.12 -3.03 -0.03 0.00 -0.57 0.00 0.00 34.95 31.44 1cfe s ARG 104 CO 0.83 0.60 -0.02 -1.17 -1.08 0.00 0.00 175.30 174.46 1cfe s LEU 105 N -2.52 2.36 -0.28 -1.89 1.98 -0.23 -4.28 118.68 113.82 1cfe s LEU 105 Ca 0.35 -0.79 -0.17 0.00 -2.89 0.00 0.00 54.13 50.63 1cfe s LEU 105 Cb -0.13 0.19 0.09 0.00 0.66 0.00 0.00 46.19 47.00 1cfe s LEU 105 CO 0.28 -0.49 0.76 -0.83 -1.89 0.00 0.00 176.35 174.18 1cfe s GLY 106 N -2.35 -0.50 0.39 7.98 0.00 -1.23 -0.80 107.32 110.81 1cfe s GLY 106 Ca -0.02 2.54 0.04 0.00 0.00 0.00 0.00 44.72 47.28 1cfe s GLY 106 CO -0.06 2.37 0.06 0.00 0.00 0.00 0.00 173.10 175.47 1cfe s GLY 108 N -3.61 0.62 -0.44 0.00 0.00 0.19 -4.35 107.32 99.73 1cfe s GLY 108 Ca 0.29 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1cfe s GLY 108 CO 0.14 -1.07 0.71 -2.13 0.00 0.00 0.00 173.10 170.76 1cfe n ARG 109 N -0.12 0.74 -3.81 2.90 3.00 -1.25 -2.03 116.66 116.08 1cfe n ARG 109 Ca -0.08 -2.43 -0.36 0.00 -0.00 0.00 0.00 57.85 54.98 1cfe n ARG 109 Cb 0.63 -1.35 -0.10 0.00 0.00 0.00 0.00 32.46 31.63 1cfe n ARG 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cfe s ALA 110 N -0.16 3.45 0.01 5.13 0.00 -0.07 -4.95 121.76 125.16 1cfe s ALA 110 Ca 0.33 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1cfe s ALA 110 Cb 0.20 -2.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 1cfe s ALA 110 CO -0.18 -0.12 1.72 0.50 0.00 0.00 0.00 175.76 177.68 1cfe s ARG 111 N 0.92 4.18 0.54 0.00 3.52 -1.26 -0.23 118.95 126.61 1cfe s ARG 111 Ca 0.06 2.32 -0.21 0.00 -0.13 0.00 0.00 55.73 57.76 1cfe s ARG 111 Cb -0.13 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 1cfe s ARG 111 CO 0.03 -0.83 1.27 0.00 -0.81 0.00 0.00 175.30 174.96 1cfe h ASN 113 N 1.47 0.75 0.10 0.00 -1.24 -1.78 -0.30 115.58 114.59 1cfe h ASN 113 Ca -0.50 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.51 1cfe h ASN 113 Cb 1.29 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1cfe h ASN 113 CO 0.57 0.50 0.00 -0.46 -1.29 0.00 0.00 177.43 176.75 1cfe n ASN 114 N -4.47 0.00 0.00 1.15 6.94 -0.30 -4.83 115.26 113.75 1cfe n ASN 114 Ca 0.11 -0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1cfe n ASN 114 Cb 0.18 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 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 -0.41 2.18 3.80 4.83 0.00 -0.12 -5.06 105.19 110.41 1cfe n GLY 115 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.62 1.10 -0.12 1.61 0.51 -1.26 -4.82 118.94 113.34 1cfe s TRP 116 Ca 0.00 0.36 -0.01 0.00 -2.12 0.00 0.00 56.10 54.33 1cfe s TRP 116 Cb 0.00 -3.89 -0.02 0.00 -0.81 0.00 0.00 33.47 28.74 1cfe s TRP 116 CO 0.00 -3.16 -0.07 -1.58 -0.51 0.00 0.00 176.95 171.63 1cfe s TRP 117 N -3.57 2.94 -0.20 -1.98 0.52 -0.03 -0.09 118.94 116.54 1cfe s TRP 117 Ca 0.73 -0.28 -0.19 0.00 0.02 0.00 0.00 56.10 56.38 1cfe s TRP 117 Cb -0.06 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1cfe s TRP 117 CO 0.54 0.03 0.53 0.12 0.02 0.00 0.00 176.95 178.19 1cfe s PHE 118 N -0.00 3.37 -0.16 -1.98 2.19 0.68 -2.09 117.98 119.98 1cfe s PHE 118 Ca -0.01 0.78 -0.01 0.00 0.33 0.00 0.00 56.93 58.02 1cfe s PHE 118 Cb -0.14 -2.69 -0.01 0.00 -1.31 0.00 0.00 43.02 38.88 1cfe s PHE 118 CO 0.03 -0.12 -0.12 0.42 1.83 0.00 0.00 175.22 177.26 1cfe s ILE 119 N 1.71 2.94 -0.07 3.12 1.01 -0.07 -0.90 121.20 128.94 1cfe s ILE 119 Ca 0.24 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1cfe s ILE 119 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1cfe s ILE 119 CO 0.10 0.50 0.18 -0.44 0.00 0.00 0.00 174.94 175.28 1cfe s SER 120 N 0.83 -0.18 0.06 3.58 0.01 -0.86 -0.31 113.70 116.83 1cfe s SER 120 Ca -0.04 0.37 -0.00 0.00 1.31 0.00 0.00 55.95 57.58 1cfe s SER 120 Cb -0.15 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 1cfe s SER 120 CO 0.00 -0.08 -0.03 0.00 0.41 0.00 0.00 173.24 173.54 1cfe s ASN 122 N -2.95 1.27 -0.01 0.00 -0.87 -1.10 -4.07 114.94 107.21 1cfe s ASN 122 Ca 0.09 -0.93 -0.09 0.00 -1.57 0.00 0.00 52.86 50.36 1cfe s ASN 122 Cb 0.07 0.06 0.01 0.00 -0.02 0.00 0.00 41.25 41.37 1cfe s ASN 122 CO -0.08 -0.38 0.18 -0.31 -2.57 0.00 0.00 177.10 173.94 1cfe s TYR 123 N -3.15 -0.04 0.04 2.20 1.51 -0.36 -3.56 117.35 113.98 1cfe s TYR 123 Ca 0.09 0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.22 1cfe s TYR 123 Cb 0.02 -0.00 -0.02 0.00 -0.11 0.00 0.00 41.96 41.84 1cfe s TYR 123 CO -0.03 -0.29 -0.08 0.34 -1.11 0.00 0.00 175.55 174.38 1cfe s ASP 124 N -1.19 0.92 0.70 2.29 -1.08 -1.26 -4.18 116.67 112.86 1cfe s ASP 124 Ca -0.13 -0.56 -0.16 0.00 -0.52 0.00 0.00 52.55 51.18 1cfe s ASP 124 Cb -0.06 0.03 -0.03 0.00 -1.46 0.00 0.00 42.92 41.40 1cfe s ASP 124 CO 0.02 -0.20 0.70 -0.81 0.52 0.00 0.00 175.17 175.40 1cfe n PRO 125 N 1.44 0.43 -1.66 4.34 -0.04 -1.26 -3.59 135.00 134.66 1cfe n PRO 125 Ca -0.23 0.19 -0.50 0.00 -0.04 0.00 0.00 63.50 62.93 1cfe n PRO 125 Cb 0.55 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.30 0.19 -2.45 0.52 0.24 -1.26 -4.37 118.33 108.89 1cfe n VAL 126 Ca 0.11 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.34 62.13 1cfe n VAL 126 Cb 0.49 -1.39 0.04 0.00 -1.47 0.00 0.00 33.84 31.51 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 1.96 1.64 -2.08 7.63 0.00 -1.26 -4.25 107.32 110.95 1cfe s GLY 127 Ca 0.87 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1cfe s GLY 127 CO 0.48 -0.55 0.00 -2.01 0.00 0.00 0.00 173.10 171.01 1cfe n ASN 128 N -2.56 -5.38 -3.63 1.64 2.85 -1.26 -3.45 115.26 103.46 1cfe n ASN 128 Ca 0.05 0.49 -0.13 0.00 -0.11 0.00 0.00 54.58 54.88 1cfe n ASN 128 Cb 0.58 -4.61 0.06 0.00 1.24 0.00 0.00 39.78 37.05 1cfe n ASN 128 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 1cfe n TRP 129 N -2.42 -2.85 -2.55 1.20 -0.00 -1.26 -5.01 117.44 104.54 1cfe n TRP 129 Ca -0.20 -1.15 -0.29 0.00 -0.00 0.00 0.00 57.50 55.87 1cfe n TRP 129 Cb 0.65 -0.38 -0.00 0.00 -0.00 0.00 0.00 31.31 31.57 1cfe n TRP 129 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 177.69 176.19 1cfe s ILE 130 N -1.44 4.85 -1.57 5.87 2.07 -1.26 -4.48 121.20 125.24 1cfe s ILE 130 Ca 0.38 0.39 -0.12 0.00 -1.41 0.00 0.00 60.65 59.89 1cfe s ILE 130 Cb -0.03 -3.84 0.10 0.00 0.13 0.00 0.00 42.46 38.82 1cfe s ILE 130 CO 0.25 -0.84 0.76 0.61 -1.91 0.00 0.00 174.94 173.81 1cfe n GLY 131 N -2.16 -0.40 3.48 1.50 0.00 -1.26 -4.93 105.19 101.41 1cfe n GLY 131 Ca 0.02 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1cfe n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cfe s GLN 132 N -6.71 0.58 0.25 1.61 0.74 -1.26 -5.16 119.66 109.70 1cfe s GLN 132 Ca 0.52 1.02 -0.30 0.00 0.05 0.00 0.00 55.36 56.66 1cfe s GLN 132 Cb -0.28 0.08 -0.09 0.00 1.10 0.00 0.00 33.01 33.83 1cfe s GLN 132 CO 0.89 -0.15 1.05 1.03 -0.55 0.00 0.00 175.29 177.56 1cfe s ARG 133 N 1.46 4.70 0.01 1.67 3.00 -1.26 -4.86 118.95 123.67 1cfe s ARG 133 Ca -0.09 1.69 -0.23 0.00 0.00 0.00 0.00 55.73 57.10 1cfe s ARG 133 Cb -0.06 -3.24 -0.17 0.00 0.00 0.00 0.00 34.95 31.48 1cfe s ARG 133 CO -0.16 0.28 1.28 -1.00 0.00 0.00 0.00 175.30 175.70 1cfe h PRO 134 N 4.19 0.22 0.00 3.54 0.13 -1.91 -3.40 132.00 134.78 1cfe h PRO 134 Ca -0.46 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1cfe h PRO 134 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1cfe h PRO 134 CO 0.68 0.68 0.00 2.48 -0.23 0.00 0.00 178.00 181.62