#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 -0.81 -4.80 1.08 6.94 -1.26 -0.90 115.26 115.50 1cfe n ASN 2 Ca 0.00 -2.10 -0.31 0.00 -0.02 0.00 0.00 54.58 52.16 1cfe n ASN 2 Cb 0.00 0.35 0.07 0.00 -2.36 0.00 0.00 39.78 37.84 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 -1.39 4.94 0.16 0.53 0.01 -1.26 -4.90 113.70 111.78 1cfe s SER 3 Ca 0.09 1.54 -0.16 0.00 1.31 0.00 0.00 55.95 58.74 1cfe s SER 3 Cb 0.26 -2.35 0.08 0.00 0.21 0.00 0.00 66.02 64.21 1cfe s SER 3 CO -0.07 -1.72 1.76 1.55 0.41 0.00 0.00 173.24 175.17 1cfe h PRO 4 N -0.91 0.31 -1.15 12.44 0.13 -1.99 0.08 132.00 140.91 1cfe h PRO 4 Ca -0.45 -0.02 0.33 0.00 -0.87 0.00 0.00 66.00 64.99 1cfe h PRO 4 Cb 1.23 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1cfe h PRO 4 CO 0.57 0.21 0.77 1.96 -0.23 0.00 0.00 178.00 181.27 1cfe h GLN 5 N 0.32 0.22 -0.18 0.86 1.08 -1.98 -1.53 115.11 113.91 1cfe h GLN 5 Ca 0.18 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1cfe h GLN 5 Cb 0.14 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1cfe h GLN 5 CO -0.17 0.15 0.06 -0.44 -0.95 0.00 0.00 178.83 177.49 1cfe h ASP 6 N 0.23 0.26 0.36 1.46 3.32 -1.32 0.12 116.42 120.85 1cfe h ASP 6 Ca 0.64 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 1cfe h ASP 6 Cb 1.96 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.44 1cfe h ASP 6 CO -0.25 0.37 -0.17 1.88 -1.72 0.00 0.00 179.24 179.34 1cfe h TYR 7 N 0.13 -0.45 -0.68 4.55 -1.99 -1.42 -3.00 116.97 114.11 1cfe h TYR 7 Ca 0.06 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.91 1cfe h TYR 7 Cb 0.20 0.15 -0.10 0.00 2.00 0.00 0.00 36.73 38.98 1cfe h TYR 7 CO -0.01 -0.19 0.18 -0.07 -0.00 0.00 0.00 178.16 178.07 1cfe h LEU 8 N -0.63 0.06 0.22 3.88 3.38 -1.06 0.30 115.31 121.46 1cfe h LEU 8 Ca -0.05 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1cfe h LEU 8 Cb 0.46 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1cfe h LEU 8 CO 0.08 0.01 -0.31 0.00 0.09 0.00 0.00 178.44 178.31 1cfe h ALA 9 N 1.54 -0.60 -0.45 1.53 0.00 -0.79 1.00 119.26 121.49 1cfe h ALA 9 Ca 0.37 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1cfe h ALA 9 Cb 0.58 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1cfe h ALA 9 CO -0.44 -0.88 -0.04 0.28 0.00 0.00 0.00 179.25 178.17 1cfe h VAL 10 N -0.60 1.24 -0.06 0.00 2.07 -1.17 0.15 116.25 117.89 1cfe h VAL 10 Ca 0.01 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1cfe h VAL 10 Cb 0.58 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1cfe h VAL 10 CO -0.12 0.36 -0.08 0.45 0.02 0.00 0.00 177.57 178.20 1cfe h HIS 11 N 0.70 -0.20 -0.58 1.57 -0.00 -0.74 -1.29 115.15 114.61 1cfe h HIS 11 Ca 0.13 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.59 1cfe h HIS 11 Cb 0.49 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 1cfe h HIS 11 CO 0.02 -0.13 0.39 -0.91 -0.00 0.00 0.00 177.93 177.30 1cfe h ASN 12 N -0.11 0.43 0.71 2.45 2.35 0.08 0.20 115.58 121.69 1cfe h ASN 12 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1cfe h ASN 12 Cb 0.19 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1cfe h ASN 12 CO -0.13 0.27 -0.39 -0.78 -1.65 0.00 0.00 177.43 174.75 1cfe h ASP 13 N 0.49 -0.96 -0.50 5.81 3.58 0.16 0.38 116.42 125.38 1cfe h ASP 13 Ca 0.26 0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.85 1cfe h ASP 13 Cb 0.39 0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.63 1cfe h ASP 13 CO -0.07 -0.63 0.05 0.00 -2.88 0.00 0.00 179.24 175.71 1cfe h ALA 14 N -1.40 0.52 -0.38 -0.78 0.00 -0.78 -0.62 119.26 115.81 1cfe h ALA 14 Ca -0.10 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1cfe h ALA 14 Cb 0.80 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1cfe h ALA 14 CO 0.13 -0.35 0.11 0.00 0.00 0.00 0.00 179.25 179.14 1cfe h ARG 15 N 0.18 0.60 -0.62 0.00 3.08 -0.95 -2.33 114.38 114.34 1cfe h ARG 15 Ca 0.25 -0.13 0.12 0.00 0.07 0.00 0.00 59.98 60.29 1cfe h ARG 15 Cb 0.36 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.23 1cfe h ARG 15 CO -0.37 0.62 0.12 0.00 -1.07 0.00 0.00 179.97 179.27 1cfe h ALA 16 N 0.96 0.73 0.00 0.04 0.00 0.54 0.16 119.26 121.68 1cfe h ALA 16 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1cfe h ALA 16 Cb 0.27 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cfe h ALA 16 CO -0.00 -0.32 0.00 1.04 0.00 0.00 0.00 179.25 179.97 1cfe n GLN 17 N -5.15 0.41 -1.78 0.00 6.02 -0.31 -0.75 117.38 115.82 1cfe n GLN 17 Ca 0.09 0.03 0.03 0.00 -0.01 0.00 0.00 57.00 57.14 1cfe n GLN 17 Cb 0.34 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.14 1cfe n GLN 17 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1cfe n VAL 18 N -1.06 0.46 -4.36 5.09 0.24 -0.31 -5.03 118.33 113.36 1cfe n VAL 18 Ca 0.10 -1.63 -0.39 0.00 -2.04 0.00 0.00 64.34 60.38 1cfe n VAL 18 Cb 0.06 0.97 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.13 -0.42 3.75 7.63 0.00 0.23 -4.95 105.19 111.56 1cfe n GLY 19 Ca 0.08 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.28 4.60 1.11 1.61 1.01 0.31 -4.96 120.40 120.79 1cfe s VAL 20 Ca 0.78 1.72 -0.12 0.00 0.00 0.00 0.00 61.98 64.36 1cfe s VAL 20 Cb -0.44 -4.16 0.25 0.00 0.00 0.00 0.00 36.38 32.03 1cfe s VAL 20 CO 0.97 0.40 1.01 0.61 0.00 0.00 0.00 175.10 178.08 1cfe n GLY 21 N 2.17 -1.61 2.64 4.51 0.00 -1.26 -4.34 105.19 107.30 1cfe n GLY 21 Ca -0.02 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.66 -1.75 -3.32 1.61 -0.04 -1.26 -4.99 135.00 120.60 1cfe n PRO 22 Ca 0.05 -1.36 -0.12 0.00 -0.04 0.00 0.00 63.50 62.03 1cfe n PRO 22 Cb 0.54 -1.08 -0.04 0.00 -0.04 0.00 0.00 33.50 32.87 1cfe n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cfe n MET 23 N -3.47 0.38 -4.45 0.54 0.00 -1.26 -4.88 117.12 103.98 1cfe n MET 23 Ca 0.11 -1.95 -0.23 0.00 0.00 0.00 0.00 57.70 55.64 1cfe n MET 23 Cb 0.42 1.44 -0.09 0.00 0.00 0.00 0.00 33.22 34.99 1cfe n MET 23 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1cfe s SER 24 N -2.38 2.35 0.82 3.17 1.04 -0.95 -5.06 113.70 112.69 1cfe s SER 24 Ca 0.20 -1.59 -0.11 0.00 0.48 0.00 0.00 55.95 54.92 1cfe s SER 24 Cb 0.01 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.58 1cfe s SER 24 CO 0.14 -0.87 1.09 0.86 0.98 0.00 0.00 173.24 175.44 1cfe s TRP 25 N -3.34 2.62 -0.12 5.02 -0.11 -1.26 -2.90 118.94 118.85 1cfe s TRP 25 Ca 0.29 1.30 -0.03 0.00 1.22 0.00 0.00 56.10 58.88 1cfe s TRP 25 Cb 0.04 -3.09 0.05 0.00 -1.50 0.00 0.00 33.47 28.97 1cfe s TRP 25 CO 0.16 -1.95 0.06 0.34 -4.62 0.00 0.00 176.95 170.94 1cfe s ASP 26 N -3.61 2.01 0.37 5.86 -1.08 0.84 -4.63 116.67 116.42 1cfe s ASP 26 Ca 0.61 -0.38 0.15 0.00 -0.52 0.00 0.00 52.55 52.41 1cfe s ASP 26 Cb -0.16 -0.31 0.70 0.00 -1.46 0.00 0.00 42.92 41.69 1cfe s ASP 26 CO 0.56 -0.29 1.78 0.00 0.52 0.00 0.00 175.17 177.74 1cfe h ALA 27 N 8.38 1.20 -0.02 3.66 0.00 -1.98 -0.98 119.26 129.53 1cfe h ALA 27 Ca -0.15 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 1cfe h ALA 27 Cb 1.13 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1cfe h ALA 27 CO 0.26 0.50 -0.58 -0.91 0.00 0.00 0.00 179.25 178.52 1cfe h ASN 28 N 0.00 0.54 -0.43 0.00 4.21 -1.96 0.15 115.58 118.09 1cfe h ASN 28 Ca -0.00 -0.74 0.08 0.00 1.21 0.00 0.00 56.30 56.84 1cfe h ASN 28 Cb 0.77 -0.16 -0.07 0.00 -1.12 0.00 0.00 38.32 37.74 1cfe h ASN 28 CO 0.05 1.21 0.02 -0.07 -1.29 0.00 0.00 177.43 177.35 1cfe h LEU 29 N -0.07 -0.13 -0.48 1.61 3.38 -1.85 0.12 115.31 117.88 1cfe h LEU 29 Ca -0.07 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1cfe h LEU 29 Cb 1.28 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 1cfe h LEU 29 CO 0.12 -0.03 0.25 0.00 0.09 0.00 0.00 178.44 178.87 1cfe h ALA 30 N 1.37 0.61 -0.48 1.53 0.00 -0.94 0.54 119.26 121.89 1cfe h ALA 30 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1cfe h ALA 30 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1cfe h ALA 30 CO -0.33 -0.08 0.25 0.66 0.00 0.00 0.00 179.25 179.74 1cfe h SER 31 N 0.50 0.61 -0.05 0.00 4.64 -0.34 -2.10 113.55 116.82 1cfe h SER 31 Ca 0.20 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1cfe h SER 31 Cb 0.09 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1cfe h SER 31 CO -0.13 0.55 0.01 -0.09 -0.87 0.00 0.00 176.83 176.31 1cfe h ARG 32 N 0.63 0.07 -0.08 4.77 1.12 0.14 0.29 114.38 121.32 1cfe h ARG 32 Ca 0.17 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.06 1cfe h ARG 32 Cb 0.09 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 29.99 1cfe h ARG 32 CO -0.02 0.25 -0.19 0.00 -3.11 0.00 0.00 179.97 176.89 1cfe h ALA 33 N 0.82 -0.18 -0.60 2.80 0.00 -0.93 0.60 119.26 121.78 1cfe h ALA 33 Ca 0.01 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1cfe h ALA 33 Cb 0.21 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1cfe h ALA 33 CO -0.00 -0.66 0.24 0.37 0.00 0.00 0.00 179.25 179.19 1cfe h GLN 34 N -0.27 0.41 0.39 0.00 5.75 -1.14 -2.02 115.11 118.23 1cfe h GLN 34 Ca 0.08 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1cfe h GLN 34 Cb 0.39 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1cfe h GLN 34 CO -0.24 0.27 -0.19 -0.91 -2.65 0.00 0.00 178.83 175.12 1cfe h ASN 35 N 0.43 -0.45 -0.32 -0.69 2.35 0.38 0.01 115.58 117.30 1cfe h ASN 35 Ca 0.30 -0.12 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 1cfe h ASN 35 Cb 0.35 0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.75 1cfe h ASN 35 CO -0.29 -0.11 -0.30 0.22 -1.65 0.00 0.00 177.43 175.31 1cfe h TYR 36 N -0.81 -0.81 -0.08 1.19 5.03 -0.85 0.75 116.97 121.40 1cfe h TYR 36 Ca -0.05 0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.34 1cfe h TYR 36 Cb 0.54 0.40 -0.05 0.00 1.55 0.00 0.00 36.73 39.17 1cfe h TYR 36 CO 0.01 -0.36 -0.19 0.00 -1.32 0.00 0.00 178.16 176.30 1cfe h ALA 37 N 0.75 -0.18 -0.39 1.82 0.00 -1.34 -1.70 119.26 118.23 1cfe h ALA 37 Ca 0.16 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1cfe h ALA 37 Cb 0.52 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1cfe h ALA 37 CO -0.47 -0.66 -0.22 -0.91 0.00 0.00 0.00 179.25 176.99 1cfe h ASN 38 N -0.27 -0.73 0.00 0.00 2.35 -0.14 -0.77 115.58 116.02 1cfe h ASN 38 Ca 0.08 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1cfe h ASN 38 Cb 0.38 0.38 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1cfe h ASN 38 CO -0.23 -0.25 0.00 -1.20 -1.65 0.00 0.00 177.43 174.10 1cfe n SER 39 N -5.38 0.00 -0.67 5.81 7.64 0.18 -0.88 113.62 120.31 1cfe n SER 39 Ca 0.02 -0.83 0.07 0.00 1.01 0.00 0.00 58.87 59.14 1cfe n SER 39 Cb 0.29 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.69 1cfe n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1cfe n ARG 40 N -0.98 2.78 -2.00 1.43 1.74 -0.36 -4.88 116.66 114.39 1cfe n ARG 40 Ca 0.18 -2.46 -0.26 0.00 -0.77 0.00 0.00 57.85 54.55 1cfe n ARG 40 Cb 0.08 -1.56 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cfe s ALA 41 N -2.08 1.60 0.00 7.54 0.00 -0.06 -0.81 121.76 127.96 1cfe s ALA 41 Ca 0.32 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1cfe s ALA 41 Cb 0.24 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.70 1cfe s ALA 41 CO 0.10 -5.39 0.00 0.41 0.00 0.00 0.00 175.76 170.88 1cfe n GLY 42 N 6.02 0.03 2.51 0.00 0.00 -1.26 -4.31 105.19 108.18 1cfe n GLY 42 Ca 0.44 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 1cfe n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cfe n ASP 43 N 0.00 1.87 -0.03 1.61 5.75 0.01 -4.91 116.55 120.85 1cfe n ASP 43 Ca 0.00 -3.00 -0.15 0.00 -0.01 0.00 0.00 54.79 51.63 1cfe n ASP 43 Cb 0.00 -0.55 -0.09 0.00 -1.03 0.00 0.00 41.12 39.45 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cfe n ASN 45 N -4.36 0.00 -2.81 0.00 5.15 -1.26 -3.97 115.26 108.01 1cfe n ASN 45 Ca -0.08 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1cfe n ASN 45 Cb 0.53 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.84 1cfe n ASN 45 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1cfe n LEU 46 N 0.00 1.14 -4.27 1.20 4.77 -1.26 -4.96 117.00 113.62 1cfe n LEU 46 Ca 0.00 -3.06 -0.37 0.00 -0.03 0.00 0.00 56.01 52.55 1cfe n LEU 46 Cb 0.00 0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1cfe n LEU 46 CO 0.00 1.13 -0.29 -0.63 -1.33 0.00 0.00 177.39 176.28 1cfe s ILE 47 N -3.24 3.66 -0.54 -0.08 -1.09 -1.25 -4.97 121.20 113.68 1cfe s ILE 47 Ca 0.24 -1.04 0.05 0.00 -2.23 0.00 0.00 60.65 57.67 1cfe s ILE 47 Cb 0.34 -3.01 0.19 0.00 -1.58 0.00 0.00 42.46 38.40 1cfe s ILE 47 CO -0.05 -0.07 0.46 1.57 -1.23 0.00 0.00 174.94 175.62 1cfe n HIS 48 N 4.79 1.16 -0.98 3.97 -0.00 -1.26 -5.04 115.22 117.86 1cfe n HIS 48 Ca -0.13 -3.80 -0.39 0.00 0.46 0.00 0.00 57.72 53.86 1cfe n HIS 48 Cb 0.45 -0.22 -0.05 0.00 -0.12 0.00 0.00 29.99 30.05 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 2.15 2.70 0.00 0.26 3.41 -1.26 -4.50 113.62 116.38 1cfe n SER 49 Ca 0.25 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1cfe n SER 49 Cb 0.43 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 4.42 2.63 0.00 5.00 0.00 -1.26 -5.19 105.19 110.80 1cfe n GLY 50 Ca 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.00 0.00 1.05 4.61 0.00 -1.26 -4.91 120.51 117.00 1cfe n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cfe n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.75 3.58 0.00 0.00 -1.26 -4.56 105.19 108.70 1cfe n GLY 52 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.24 3.65 -0.47 1.61 2.02 -1.26 -4.36 118.70 118.64 1cfe s GLU 53 Ca 0.00 0.36 -0.26 0.00 0.02 0.00 0.00 54.97 55.09 1cfe s GLU 53 Cb 0.00 -3.90 0.03 0.00 0.10 0.00 0.00 34.13 30.36 1cfe s GLU 53 CO 0.00 -1.23 0.95 1.21 0.02 0.00 0.00 175.26 176.21 1cfe s ASN 54 N 2.25 6.50 0.35 -0.19 3.84 -0.17 -4.83 114.94 122.69 1cfe s ASN 54 Ca 0.41 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.59 1cfe s ASN 54 Cb -0.09 -2.46 -0.03 0.00 -0.55 0.00 0.00 41.25 38.11 1cfe s ASN 54 CO 0.27 -1.09 0.56 -0.76 -2.79 0.00 0.00 177.10 173.29 1cfe s LEU 55 N 3.85 4.00 -0.09 3.21 1.43 -1.26 -0.92 118.68 128.89 1cfe s LEU 55 Ca 0.38 0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 53.69 1cfe s LEU 55 Cb -0.10 -3.35 0.06 0.00 0.03 0.00 0.00 46.19 42.84 1cfe s LEU 55 CO 0.26 -0.30 0.63 0.00 0.23 0.00 0.00 176.35 177.17 1cfe s ALA 56 N -2.33 -1.62 0.20 4.21 0.00 0.55 -4.94 121.76 117.84 1cfe s ALA 56 Ca 0.40 1.33 0.10 0.00 0.00 0.00 0.00 51.96 53.79 1cfe s ALA 56 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1cfe s ALA 56 CO 0.36 -0.34 -0.13 -1.59 0.00 0.00 0.00 175.76 174.06 1cfe s LYS 57 N -0.85 1.91 0.03 0.00 -2.85 -1.26 -0.83 119.74 115.89 1cfe s LYS 57 Ca -0.09 -1.40 -0.28 0.00 -1.00 0.00 0.00 55.97 53.20 1cfe s LYS 57 Cb -0.02 -2.04 0.10 0.00 -2.06 0.00 0.00 37.83 33.81 1cfe s LYS 57 CO 0.07 0.41 1.05 0.20 0.10 0.00 0.00 175.35 177.18 1cfe s GLY 58 N -2.94 -0.34 0.00 0.59 0.00 -1.08 -4.99 107.32 98.56 1cfe s GLY 58 Ca 0.25 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1cfe s GLY 58 CO 0.14 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.03 1cfe n GLY 59 N -0.37 0.49 0.00 0.20 0.00 -1.26 -1.08 105.19 103.16 1cfe n GLY 59 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 2.41 0.77 2.68 -0.02 0.00 -1.26 -3.79 105.19 105.98 1cfe n GLY 60 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 6.60 -4.56 1.61 5.75 -1.26 -4.76 116.55 119.93 1cfe n ASP 61 Ca 0.00 -3.14 -0.37 0.00 -0.01 0.00 0.00 54.79 51.27 1cfe n ASP 61 Cb 0.00 -1.41 -0.04 0.00 -1.03 0.00 0.00 41.12 38.64 1cfe n ASP 61 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1cfe s PHE 62 N -0.51 2.26 0.53 2.11 5.36 -1.26 -4.97 117.98 121.50 1cfe s PHE 62 Ca 0.46 -0.27 -0.19 0.00 -0.96 0.00 0.00 56.93 55.97 1cfe s PHE 62 Cb 0.14 -4.49 -0.06 0.00 -0.34 0.00 0.00 43.02 38.27 1cfe s PHE 62 CO -0.04 -1.92 1.06 0.95 -1.46 0.00 0.00 175.22 173.81 1cfe s THR 63 N 6.63 3.65 0.27 0.12 -4.23 -1.26 -4.80 115.64 116.02 1cfe s THR 63 Ca 0.52 0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 61.99 1cfe s THR 63 Cb -0.03 -3.39 0.27 0.00 1.34 0.00 0.00 72.50 70.69 1cfe s THR 63 CO -0.03 -0.29 1.83 1.23 -0.54 0.00 0.00 174.62 176.82 1cfe h GLY 64 N 1.17 1.56 0.16 3.99 0.00 -1.80 0.92 103.07 109.06 1cfe h GLY 64 Ca -0.49 -0.40 0.08 0.00 0.00 0.00 0.00 47.33 46.53 1cfe h GLY 64 CO 0.58 0.15 -0.11 -0.09 0.00 0.00 0.00 176.54 177.08 1cfe h ARG 65 N 0.95 -0.00 -0.48 4.80 1.12 -1.31 -0.39 114.38 119.06 1cfe h ARG 65 Ca 0.47 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.33 1cfe h ARG 65 Cb 0.46 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.39 1cfe h ARG 65 CO -0.26 -0.00 0.24 0.00 -3.11 0.00 0.00 179.97 176.83 1cfe h ALA 66 N 1.41 1.53 0.12 2.80 0.00 -1.13 0.56 119.26 124.55 1cfe h ALA 66 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cfe h ALA 66 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1cfe h ALA 66 CO -0.43 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.14 1cfe h ALA 67 N 1.60 -0.16 -0.77 0.00 0.00 0.09 0.17 119.26 120.19 1cfe h ALA 67 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1cfe h ALA 67 Cb 0.06 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1cfe h ALA 67 CO -0.02 -0.52 0.48 0.28 0.00 0.00 0.00 179.25 179.47 1cfe h VAL 68 N -0.31 1.08 -0.00 0.00 2.07 -0.65 0.16 116.25 118.61 1cfe h VAL 68 Ca -0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1cfe h VAL 68 Cb 0.25 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1cfe h VAL 68 CO 0.03 0.17 0.00 1.56 0.02 0.00 0.00 177.57 179.35 1cfe h GLN 69 N 0.92 0.00 -0.11 1.57 1.08 -0.69 0.11 115.11 118.00 1cfe h GLN 69 Ca 0.32 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.35 1cfe h GLN 69 Cb 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1cfe h GLN 69 CO -0.13 0.00 -0.59 1.25 -0.95 0.00 0.00 178.83 178.41 1cfe h LEU 70 N 0.00 0.71 -1.14 1.46 7.12 0.21 -0.24 115.31 123.42 1cfe h LEU 70 Ca 0.00 -0.65 0.07 0.00 0.13 0.00 0.00 57.88 57.43 1cfe h LEU 70 Cb 0.00 -0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 39.87 1cfe h LEU 70 CO -0.00 1.24 0.59 -0.50 -0.13 0.00 0.00 178.44 179.64 1cfe h TRP 71 N 0.22 1.05 0.00 1.25 6.55 0.11 -0.45 115.95 124.68 1cfe h TRP 71 Ca -0.04 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1cfe h TRP 71 Cb 1.24 -0.35 0.00 0.00 -0.86 0.00 0.00 29.16 29.19 1cfe h TRP 71 CO 0.11 0.55 -0.14 0.28 -1.05 0.00 0.00 178.44 178.18 1cfe n VAL 72 N -4.49 0.05 -0.05 1.49 0.31 0.28 -2.46 118.33 113.45 1cfe n VAL 72 Ca 0.14 -0.03 0.24 0.00 -0.01 0.00 0.00 64.34 64.68 1cfe n VAL 72 Cb 0.20 -0.31 0.72 0.00 -0.91 0.00 0.00 33.84 33.54 1cfe n VAL 72 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1cfe h SER 73 N 0.00 0.00 0.00 4.52 0.87 0.73 -0.13 113.55 119.53 1cfe h SER 73 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cfe h SER 73 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1cfe h SER 73 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1cfe n GLU 74 N -4.11 0.46 -0.29 2.24 1.02 -1.22 -4.46 120.64 114.28 1cfe n GLU 74 Ca 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1cfe n GLU 74 Cb 0.78 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 31.01 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 0.26 -0.08 0.00 3.49 2.43 -1.31 -0.73 114.38 118.44 1cfe h ARG 75 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1cfe h ARG 75 Cb 0.11 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1cfe h ARG 75 CO 0.00 -0.06 0.00 -1.00 -1.51 0.00 0.00 179.97 177.40 1cfe h PRO 76 N -0.09 0.00 -0.02 0.20 0.13 -1.89 -1.46 132.00 128.88 1cfe h PRO 76 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1cfe h PRO 76 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1cfe h PRO 76 CO -0.72 0.00 -0.04 -1.13 -0.23 0.00 0.00 178.00 175.89 1cfe n SER 77 N -2.64 1.59 -4.65 1.44 3.41 -0.31 -4.72 113.62 107.75 1cfe n SER 77 Ca -0.01 -1.48 -0.34 0.00 -0.26 0.00 0.00 58.87 56.79 1cfe n SER 77 Cb 0.14 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.06 3.06 -0.25 7.33 -0.85 -0.55 -0.32 117.35 123.70 1cfe s TYR 78 Ca 0.35 0.10 -0.10 0.00 -0.52 0.00 0.00 57.07 56.90 1cfe s TYR 78 Cb 0.21 -1.72 0.10 0.00 0.38 0.00 0.00 41.96 40.93 1cfe s TYR 78 CO 0.36 0.43 0.54 1.21 -1.52 0.00 0.00 175.55 176.57 1cfe s ASN 79 N -1.14 -0.72 0.65 -0.18 3.84 -1.24 -4.86 114.94 111.29 1cfe s ASN 79 Ca 0.15 1.28 0.40 0.00 0.21 0.00 0.00 52.86 54.91 1cfe s ASN 79 Cb -0.11 1.65 2.26 0.00 -0.55 0.00 0.00 41.25 44.50 1cfe s ASN 79 CO 0.05 -0.22 2.34 0.22 -2.79 0.00 0.00 177.10 176.70 1cfe h TYR 80 N 7.82 0.00 -1.01 0.43 5.03 -1.97 -2.60 116.97 124.68 1cfe h TYR 80 Ca -0.21 0.00 0.27 0.00 2.58 0.00 0.00 58.73 61.37 1cfe h TYR 80 Cb 1.13 0.00 -0.13 0.00 1.55 0.00 0.00 36.73 39.28 1cfe h TYR 80 CO 0.20 0.00 0.59 0.00 -1.32 0.00 0.00 178.16 177.63 1cfe h ALA 81 N 1.99 1.86 -0.01 1.82 0.00 -1.96 0.17 119.26 123.14 1cfe h ALA 81 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1cfe h ALA 81 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cfe h ALA 81 CO -0.00 -0.39 -0.43 0.25 0.00 0.00 0.00 179.25 178.69 1cfe n THR 82 N -4.93 0.00 -4.15 0.00 -2.24 -0.98 -4.95 114.28 97.03 1cfe n THR 82 Ca 0.29 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.63 1cfe n THR 82 Cb 0.83 0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.65 0.35 -1.35 3.42 4.05 0.61 -4.94 115.26 116.75 1cfe n ASN 83 Ca 0.10 -1.14 -0.02 0.00 0.45 0.00 0.00 54.58 53.96 1cfe n ASN 83 Cb 0.38 -1.43 0.00 0.00 1.23 0.00 0.00 39.78 39.97 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 -4.11 0.19 -1.96 1.20 10.64 -1.26 -4.82 117.38 117.26 1cfe n GLN 84 Ca -0.21 -0.46 -0.41 0.00 -1.83 0.00 0.00 57.00 54.08 1cfe n GLN 84 Cb 0.58 0.52 -0.02 0.00 -0.86 0.00 0.00 30.24 30.46 1cfe n GLN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cfe s VAL 86 N 0.07 2.42 0.00 0.00 1.01 0.56 -4.74 120.40 119.72 1cfe s VAL 86 Ca 0.61 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1cfe s VAL 86 Cb -0.43 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1cfe s VAL 86 CO 0.43 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1cfe n GLY 87 N 0.63 2.60 2.72 4.51 0.00 -1.26 -4.01 105.19 110.38 1cfe n GLY 87 Ca 0.06 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.25 3.93 -0.02 0.00 -1.26 -5.13 105.19 102.46 1cfe n GLY 88 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1cfe n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cfe s LYS 89 N 0.76 2.61 -1.39 1.61 3.01 -1.26 -5.01 119.74 120.06 1cfe s LYS 89 Ca 0.31 -1.47 -0.14 0.00 -1.01 0.00 0.00 55.97 53.66 1cfe s LYS 89 Cb 0.03 -2.50 -0.00 0.00 -1.01 0.00 0.00 37.83 34.35 1cfe s LYS 89 CO -0.09 -0.27 2.29 1.63 0.51 0.00 0.00 175.35 179.43 1cfe n LYS 90 N -1.69 2.80 -2.65 1.68 5.02 -1.26 -4.69 118.16 117.37 1cfe n LYS 90 Ca 0.05 -2.44 -0.43 0.00 -2.02 0.00 0.00 58.31 53.48 1cfe n LYS 90 Cb 0.61 -3.16 0.01 0.00 -0.02 0.00 0.00 35.03 32.46 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 2.88 2.83 0.00 0.00 3.00 -1.26 -4.53 116.66 119.57 1cfe n ARG 92 Ca 0.34 -3.92 0.00 0.00 -0.00 0.00 0.00 57.85 54.26 1cfe n ARG 92 Cb 0.35 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 30.82 1cfe n ARG 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1cfe n HIS 93 N -0.62 0.00 -0.23 -0.14 8.25 -1.26 -4.84 115.22 116.38 1cfe n HIS 93 Ca 0.29 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.79 1cfe n HIS 93 Cb 0.88 0.06 0.16 0.00 1.12 0.00 0.00 29.99 32.20 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 0.29 -0.88 4.41 3.20 -1.76 -0.16 116.97 122.07 1cfe h TYR 94 Ca 0.00 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.07 1cfe h TYR 94 Cb 0.29 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 1cfe h TYR 94 CO 0.00 -0.04 0.57 1.79 -1.64 0.00 0.00 178.16 178.84 1cfe h THR 95 N 0.30 0.78 -0.10 1.81 1.35 -1.88 0.48 112.91 115.64 1cfe h THR 95 Ca 0.38 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 66.01 1cfe h THR 95 Cb 0.61 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1cfe h THR 95 CO -0.45 0.11 -0.07 1.56 -0.25 0.00 0.00 175.52 176.42 1cfe h GLN 96 N 0.58 0.22 -0.69 4.72 1.08 -1.37 -0.34 115.11 119.30 1cfe h GLN 96 Ca 0.45 -0.10 0.12 0.00 -1.45 0.00 0.00 58.65 57.67 1cfe h GLN 96 Cb 0.88 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.22 1cfe h GLN 96 CO -0.20 0.60 0.26 0.28 -0.95 0.00 0.00 178.83 178.82 1cfe h VAL 97 N -0.17 0.70 0.00 -0.54 2.07 -0.30 -2.48 116.25 115.54 1cfe h VAL 97 Ca 0.02 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1cfe h VAL 97 Cb 0.55 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1cfe h VAL 97 CO 0.02 0.08 -0.65 1.62 0.02 0.00 0.00 177.57 178.66 1cfe h VAL 98 N 0.42 0.46 0.00 2.57 3.04 -1.09 -3.45 116.25 118.20 1cfe h VAL 98 Ca 0.37 -1.71 -0.32 0.00 -1.01 0.00 0.00 66.70 64.03 1cfe h VAL 98 Cb 0.52 2.11 -0.07 0.00 -2.01 0.00 0.00 31.29 31.83 1cfe h VAL 98 CO -0.37 0.26 1.31 1.87 -1.01 0.00 0.00 177.57 179.63 1cfe n TRP 99 N -3.05 0.26 -0.17 3.17 -0.00 -0.14 -4.60 117.44 112.92 1cfe n TRP 99 Ca -0.00 0.18 0.07 0.00 -0.00 0.00 0.00 57.50 57.75 1cfe n TRP 99 Cb 0.68 -1.23 0.38 0.00 -0.00 0.00 0.00 31.31 31.13 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 8.23 0.68 0.00 5.87 2.43 -0.95 -0.08 114.38 130.56 1cfe h ARG 100 Ca -0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1cfe h ARG 100 Cb 0.88 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1cfe h ARG 100 CO 1.04 0.45 -0.19 -0.97 -1.51 0.00 0.00 179.97 178.78 1cfe h ASN 101 N 0.70 0.00 -3.29 -3.80 -1.24 -1.86 -3.42 115.58 102.67 1cfe h ASN 101 Ca 0.31 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.75 1cfe h ASN 101 Cb 0.32 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.30 1cfe h ASN 101 CO -0.10 0.19 0.41 -0.94 -1.29 0.00 0.00 177.43 175.70 1cfe s SER 102 N -6.92 7.01 0.00 1.15 1.04 -0.05 -4.23 113.70 111.70 1cfe s SER 102 Ca -0.04 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1cfe s SER 102 Cb 0.15 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1cfe s SER 102 CO 0.69 -0.40 0.00 1.33 0.98 0.00 0.00 173.24 175.84 1cfe n VAL 103 N 4.68 0.00 -3.71 5.02 0.24 -0.61 -4.91 118.33 119.04 1cfe n VAL 103 Ca 0.05 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.34 61.57 1cfe n VAL 103 Cb 0.49 0.97 -0.05 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.99 3.63 -0.11 7.34 1.81 -0.87 -2.23 118.95 127.53 1cfe s ARG 104 Ca 0.00 -0.03 -0.09 0.00 -1.72 0.00 0.00 55.73 53.89 1cfe s ARG 104 Cb 0.00 -3.03 0.03 0.00 -0.45 0.00 0.00 34.95 31.50 1cfe s ARG 104 CO 0.00 0.60 0.28 -1.17 -0.68 0.00 0.00 175.30 174.33 1cfe s LEU 105 N -1.93 0.79 -0.22 2.53 2.96 -1.14 -2.11 118.68 119.55 1cfe s LEU 105 Ca 0.31 0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 54.67 1cfe s LEU 105 Cb -0.13 0.93 0.08 0.00 0.50 0.00 0.00 46.19 47.56 1cfe s LEU 105 CO 0.18 -0.11 0.53 -0.83 -1.32 0.00 0.00 176.35 174.80 1cfe s GLY 106 N 0.42 -0.47 0.26 7.98 0.00 -0.40 -0.11 107.32 115.00 1cfe s GLY 106 Ca -0.02 1.91 0.11 0.00 0.00 0.00 0.00 44.72 46.72 1cfe s GLY 106 CO -0.02 2.13 -0.18 0.00 0.00 0.00 0.00 173.10 175.04 1cfe n GLY 108 N -0.56 0.54 0.00 0.00 0.00 -0.02 -4.58 105.19 100.56 1cfe n GLY 108 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1cfe n GLY 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1cfe n ARG 109 N 0.00 0.00 -4.13 1.61 0.63 -1.25 -4.90 116.66 108.62 1cfe n ARG 109 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1cfe n ARG 109 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1cfe n ARG 109 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cfe s ALA 110 N -0.47 3.37 -0.16 5.13 0.00 -0.83 -4.99 121.76 123.81 1cfe s ALA 110 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 1cfe s ALA 110 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1cfe s ALA 110 CO 0.00 0.62 0.11 0.50 0.00 0.00 0.00 175.76 176.99 1cfe s ARG 111 N -2.63 3.85 0.37 0.00 3.00 -1.26 -0.49 118.95 121.78 1cfe s ARG 111 Ca 0.28 -0.22 -0.07 0.00 -1.00 0.00 0.00 55.73 54.71 1cfe s ARG 111 Cb -0.11 -3.28 -0.05 0.00 0.00 0.00 0.00 34.95 31.51 1cfe s ARG 111 CO 0.20 0.47 0.69 0.00 0.00 0.00 0.00 175.30 176.66 1cfe h ASN 113 N 1.23 0.39 0.25 0.00 -1.07 -1.87 -0.90 115.58 113.62 1cfe h ASN 113 Ca -0.47 0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.08 1cfe h ASN 113 Cb 1.19 0.16 0.00 0.00 -2.07 0.00 0.00 38.32 37.60 1cfe h ASN 113 CO 0.64 -0.10 0.00 -0.46 0.07 0.00 0.00 177.43 177.58 1cfe n ASN 114 N -5.08 0.00 0.00 6.14 6.94 -1.26 -4.85 115.26 117.15 1cfe n ASN 114 Ca 0.28 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1cfe n ASN 114 Cb 0.85 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 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 3.15 3.83 4.83 0.00 -0.34 -5.06 105.19 111.78 1cfe n GLY 115 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.94 3.26 0.08 1.61 0.51 -1.26 -4.73 118.94 115.47 1cfe s TRP 116 Ca 0.00 1.44 -0.26 0.00 -2.12 0.00 0.00 56.10 55.16 1cfe s TRP 116 Cb 0.00 -2.87 -0.06 0.00 -0.81 0.00 0.00 33.47 29.73 1cfe s TRP 116 CO 0.00 -0.88 0.79 -1.58 -0.51 0.00 0.00 176.95 174.77 1cfe s TRP 117 N -2.79 3.79 -0.51 -1.98 0.52 -0.24 -0.73 118.94 117.00 1cfe s TRP 117 Ca 0.59 1.55 -0.18 0.00 0.02 0.00 0.00 56.10 58.08 1cfe s TRP 117 Cb -0.13 -2.83 0.07 0.00 -1.15 0.00 0.00 33.47 29.43 1cfe s TRP 117 CO 0.43 0.33 0.59 0.12 0.02 0.00 0.00 176.95 178.45 1cfe s PHE 118 N -0.35 3.08 0.10 -1.98 5.36 0.35 -2.64 117.98 121.90 1cfe s PHE 118 Ca 0.39 -0.66 -0.25 0.00 -0.96 0.00 0.00 56.93 55.45 1cfe s PHE 118 Cb -0.21 -3.52 -0.07 0.00 -0.34 0.00 0.00 43.02 38.88 1cfe s PHE 118 CO 0.25 -1.01 0.77 0.42 -1.46 0.00 0.00 175.22 174.18 1cfe s ILE 119 N 2.45 4.58 0.02 3.12 1.01 -0.01 -1.97 121.20 130.40 1cfe s ILE 119 Ca 0.13 1.66 0.01 0.00 0.00 0.00 0.00 60.65 62.44 1cfe s ILE 119 Cb -0.21 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1cfe s ILE 119 CO 0.10 0.43 -0.04 -0.94 0.00 0.00 0.00 174.94 174.50 1cfe s SER 120 N -0.53 0.36 -0.04 3.58 1.04 -1.26 -0.33 113.70 116.53 1cfe s SER 120 Ca 0.37 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1cfe s SER 120 Cb -0.22 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.00 1cfe s SER 120 CO 0.24 -0.24 -0.01 0.00 0.98 0.00 0.00 173.24 174.21 1cfe s ASN 122 N 1.20 6.60 0.02 0.00 -0.87 0.18 -1.00 114.94 121.06 1cfe s ASN 122 Ca -0.07 1.20 0.01 0.00 -1.57 0.00 0.00 52.86 52.43 1cfe s ASN 122 Cb -0.13 -2.35 -0.01 0.00 -0.02 0.00 0.00 41.25 38.74 1cfe s ASN 122 CO -0.02 -0.35 -0.05 -0.31 -2.57 0.00 0.00 177.10 173.80 1cfe s TYR 123 N -2.27 0.43 -0.02 2.20 1.51 -1.26 -1.27 117.35 116.67 1cfe s TYR 123 Ca 0.52 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1cfe s TYR 123 Cb -0.10 -0.27 0.00 0.00 -0.11 0.00 0.00 41.96 41.48 1cfe s TYR 123 CO 0.27 -0.07 -0.09 0.34 -1.11 0.00 0.00 175.55 174.90 1cfe s ASP 124 N -0.86 1.11 1.28 2.29 -1.08 -0.90 -4.24 116.67 114.28 1cfe s ASP 124 Ca -0.06 -0.17 -0.17 0.00 -0.52 0.00 0.00 52.55 51.64 1cfe s ASP 124 Cb -0.06 -0.24 0.31 0.00 -1.46 0.00 0.00 42.92 41.47 1cfe s ASP 124 CO -0.00 0.08 0.88 -0.81 0.52 0.00 0.00 175.17 175.83 1cfe n PRO 125 N 3.16 -3.24 -1.29 4.34 -0.04 -1.26 -1.57 135.00 135.09 1cfe n PRO 125 Ca -0.17 -0.93 -0.29 0.00 -0.04 0.00 0.00 63.50 62.07 1cfe n PRO 125 Cb 0.55 -2.04 0.15 0.00 -0.04 0.00 0.00 33.50 32.12 1cfe n PRO 125 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cfe s VAL 126 N -2.29 2.32 0.10 0.52 -7.23 -1.26 -4.50 120.40 108.06 1cfe s VAL 126 Ca 0.67 0.10 0.07 0.00 -1.81 0.00 0.00 61.98 61.02 1cfe s VAL 126 Cb -0.21 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1cfe s VAL 126 CO 0.63 -0.14 -0.13 -0.83 -0.31 0.00 0.00 175.10 174.32 1cfe s GLY 127 N -3.61 1.75 -1.18 2.32 0.00 -1.26 -4.49 107.32 100.85 1cfe s GLY 127 Ca 0.64 -1.26 -0.10 0.00 0.00 0.00 0.00 44.72 44.00 1cfe s GLY 127 CO 0.56 -1.23 0.42 0.70 0.00 0.00 0.00 173.10 173.55 1cfe n ASN 128 N 0.83 -3.09 -4.96 1.64 3.02 -1.26 -4.61 115.26 106.83 1cfe n ASN 128 Ca -0.14 -0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 53.83 1cfe n ASN 128 Cb 0.52 -2.60 -0.00 0.00 -0.61 0.00 0.00 39.78 37.09 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 -2.83 3.31 1.08 3.10 -0.11 -1.26 -5.08 118.94 117.14 1cfe s TRP 129 Ca 0.39 0.10 -0.14 0.00 1.22 0.00 0.00 56.10 57.67 1cfe s TRP 129 Cb -0.21 -1.98 0.23 0.00 -1.50 0.00 0.00 33.47 30.01 1cfe s TRP 129 CO 0.48 0.01 1.09 -1.50 -4.62 0.00 0.00 176.95 172.40 1cfe s ILE 130 N -2.29 1.89 0.00 5.86 2.07 -1.26 -4.27 121.20 123.19 1cfe s ILE 130 Ca 0.43 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 1cfe s ILE 130 Cb -0.10 -2.45 0.00 0.00 0.13 0.00 0.00 42.46 40.04 1cfe s ILE 130 CO 0.34 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.98 1cfe n GLY 131 N -0.86 1.98 3.91 1.50 0.00 -1.26 -4.94 105.19 105.52 1cfe n GLY 131 Ca 0.07 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1cfe n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cfe s GLN 132 N 0.00 3.62 0.93 1.61 -2.07 -1.26 -5.11 119.66 117.38 1cfe s GLN 132 Ca 0.00 -0.03 -0.14 0.00 -1.82 0.00 0.00 55.36 53.37 1cfe s GLN 132 Cb 0.00 -2.67 0.16 0.00 -1.09 0.00 0.00 33.01 29.40 1cfe s GLN 132 CO 0.00 0.24 1.17 0.50 -1.32 0.00 0.00 175.29 175.89 1cfe s ARG 133 N -3.50 0.93 0.00 9.60 6.06 -1.26 -4.91 118.95 125.87 1cfe s ARG 133 Ca 0.43 0.10 0.00 0.00 -2.50 0.00 0.00 55.73 53.76 1cfe s ARG 133 Cb -0.11 -1.83 0.00 0.00 0.06 0.00 0.00 34.95 33.07 1cfe s ARG 133 CO 0.30 -2.30 0.16 -0.35 -2.50 0.00 0.00 175.30 170.61 1cfe n PRO 134 N -3.80 0.00 0.00 5.12 -0.04 -1.26 -4.68 135.00 130.34 1cfe n PRO 134 Ca 0.09 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 1cfe n PRO 134 Cb 0.60 -0.82 0.30 0.00 -0.04 0.00 0.00 33.50 33.54 1cfe n PRO 134 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94