#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 0.83 -4.81 1.69 4.13 -1.26 -0.89 115.26 114.95 1cfe n ASN 2 Ca 0.00 -0.77 -0.31 0.00 1.68 0.00 0.00 54.58 55.18 1cfe n ASN 2 Cb 0.00 0.94 0.06 0.00 -1.54 0.00 0.00 39.78 39.24 1cfe n ASN 2 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1cfe s SER 3 N -3.16 5.19 0.14 6.41 1.04 -1.26 -4.86 113.70 117.20 1cfe s SER 3 Ca 0.07 1.58 -0.18 0.00 0.48 0.00 0.00 55.95 57.90 1cfe s SER 3 Cb 0.16 -2.42 0.01 0.00 0.10 0.00 0.00 66.02 63.87 1cfe s SER 3 CO 0.84 -1.56 1.76 1.55 0.98 0.00 0.00 173.24 176.81 1cfe h PRO 4 N -0.80 0.25 -0.44 4.02 0.13 -1.99 -1.29 132.00 131.88 1cfe h PRO 4 Ca -0.44 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1cfe h PRO 4 Cb 1.22 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1cfe h PRO 4 CO 0.57 0.17 0.43 -0.56 -0.23 0.00 0.00 178.00 178.37 1cfe h GLN 5 N 0.26 0.00 -0.17 0.86 3.07 -1.99 -2.58 115.11 114.56 1cfe h GLN 5 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.77 1cfe h GLN 5 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.64 1cfe h GLN 5 CO -0.12 0.00 -0.28 -0.44 0.09 0.00 0.00 178.83 178.09 1cfe h ASP 6 N 0.00 0.54 0.18 0.06 3.32 -1.58 0.40 116.42 119.34 1cfe h ASP 6 Ca 0.21 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1cfe h ASP 6 Cb 1.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1cfe h ASP 6 CO -0.00 0.97 -0.09 1.88 -1.72 0.00 0.00 179.24 180.28 1cfe h TYR 7 N 0.12 -0.23 -0.77 4.55 0.05 -1.51 -2.41 116.97 116.77 1cfe h TYR 7 Ca 0.01 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 58.96 1cfe h TYR 7 Cb 0.86 0.07 -0.14 0.00 1.01 0.00 0.00 36.73 38.54 1cfe h TYR 7 CO 0.09 -0.14 -0.02 -0.07 -1.05 0.00 0.00 178.16 176.97 1cfe h LEU 8 N -0.25 -0.41 0.04 3.88 3.38 -1.39 -1.22 115.31 119.35 1cfe h LEU 8 Ca -0.02 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1cfe h LEU 8 Cb 0.19 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1cfe h LEU 8 CO 0.04 -0.20 -0.07 0.00 0.09 0.00 0.00 178.44 178.30 1cfe h ALA 9 N 1.73 -0.11 -0.62 1.53 0.00 0.28 0.20 119.26 122.28 1cfe h ALA 9 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1cfe h ALA 9 Cb 0.73 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1cfe h ALA 9 CO -0.70 -0.58 0.36 0.28 0.00 0.00 0.00 179.25 178.61 1cfe h VAL 10 N -0.15 1.19 -0.50 0.00 2.07 -1.02 0.27 116.25 118.12 1cfe h VAL 10 Ca 0.02 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1cfe h VAL 10 Cb 0.16 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1cfe h VAL 10 CO -0.05 0.20 0.23 0.45 0.02 0.00 0.00 177.57 178.43 1cfe h HIS 11 N 0.84 0.43 -0.01 1.57 -0.00 -0.58 0.43 115.15 117.83 1cfe h HIS 11 Ca 0.22 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.45 1cfe h HIS 11 Cb 0.01 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 1cfe h HIS 11 CO -0.01 0.19 -0.75 -0.91 -0.00 0.00 0.00 177.93 176.46 1cfe h ASN 12 N 0.46 0.09 0.37 2.45 2.35 -0.21 -1.44 115.58 119.64 1cfe h ASN 12 Ca 0.22 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1cfe h ASN 12 Cb 0.16 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1cfe h ASN 12 CO -0.18 0.80 -0.38 -0.78 -1.65 0.00 0.00 177.43 175.24 1cfe h ASP 13 N 0.04 -1.04 -0.77 5.81 1.82 -0.04 0.20 116.42 122.45 1cfe h ASP 13 Ca -0.01 0.08 0.10 0.00 -0.39 0.00 0.00 57.03 56.81 1cfe h ASP 13 Cb 1.32 0.34 -0.08 0.00 0.68 0.00 0.00 39.33 41.59 1cfe h ASP 13 CO 0.10 -0.50 0.40 0.00 -1.61 0.00 0.00 179.24 177.64 1cfe h ALA 14 N -1.12 1.09 0.06 -0.78 0.00 -0.83 0.98 119.26 118.66 1cfe h ALA 14 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cfe h ALA 14 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1cfe h ALA 14 CO -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.15 1cfe h ARG 15 N 0.65 -0.08 -0.64 0.00 3.08 -1.23 -3.17 114.38 112.99 1cfe h ARG 15 Ca 0.39 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.55 1cfe h ARG 15 Cb 0.43 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 1cfe h ARG 15 CO -0.28 0.08 0.22 0.00 -1.07 0.00 0.00 179.97 178.91 1cfe h ALA 16 N 0.71 0.83 -0.67 0.04 0.00 0.99 0.12 119.26 121.28 1cfe h ALA 16 Ca -0.01 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1cfe h ALA 16 Cb 0.19 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1cfe h ALA 16 CO 0.01 -0.23 0.46 1.96 0.00 0.00 0.00 179.25 181.46 1cfe h GLN 17 N 0.37 0.20 -0.19 0.00 4.20 -0.86 -0.99 115.11 117.85 1cfe h GLN 17 Ca 0.34 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.89 1cfe h GLN 17 Cb 0.47 -0.05 -0.12 0.00 0.30 0.00 0.00 27.48 28.08 1cfe h GLN 17 CO -0.36 0.13 -0.59 1.33 -0.67 0.00 0.00 178.83 178.67 1cfe n VAL 18 N -4.42 2.24 -3.00 -0.54 0.24 -0.33 -5.00 118.33 107.51 1cfe n VAL 18 Ca 0.13 -3.44 -0.21 0.00 -2.04 0.00 0.00 64.34 58.77 1cfe n VAL 18 Cb 0.59 -0.43 0.01 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.98 -0.51 3.87 7.63 0.00 0.23 -4.98 105.19 110.46 1cfe n GLY 19 Ca 0.25 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.01 5.03 0.61 1.61 1.01 -0.22 -4.98 120.40 120.45 1cfe s VAL 20 Ca 0.27 0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 1cfe s VAL 20 Cb -0.13 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1cfe s VAL 20 CO 0.33 0.12 1.14 -0.83 0.00 0.00 0.00 175.10 175.86 1cfe s GLY 21 N -2.08 2.46 1.13 4.51 0.00 -1.26 -4.09 107.32 107.98 1cfe s GLY 21 Ca 0.40 0.76 -0.19 0.00 0.00 0.00 0.00 44.72 45.69 1cfe s GLY 21 CO 0.21 1.13 1.22 2.56 0.00 0.00 0.00 173.10 178.21 1cfe s PRO 22 N -3.62 -0.68 0.41 2.90 0.04 -1.26 -4.88 135.00 127.90 1cfe s PRO 22 Ca 0.72 -0.34 0.04 0.00 0.04 0.00 0.00 61.00 61.46 1cfe s PRO 22 Cb -0.24 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1cfe s PRO 22 CO 0.34 -3.31 0.03 0.00 0.04 0.00 0.00 177.00 174.11 1cfe s MET 23 N -5.71 1.93 0.40 4.56 0.23 -1.26 -4.88 119.30 114.56 1cfe s MET 23 Ca 0.74 -2.13 0.07 0.00 -1.03 0.00 0.00 55.69 53.33 1cfe s MET 23 Cb -0.05 -1.29 -0.08 0.00 -1.53 0.00 0.00 34.83 31.88 1cfe s MET 23 CO 0.55 -0.21 0.02 -1.54 -2.03 0.00 0.00 175.02 171.81 1cfe s SER 24 N -3.68 3.69 -0.57 -1.18 1.04 0.02 -5.01 113.70 108.01 1cfe s SER 24 Ca 0.27 -1.37 -0.24 0.00 0.48 0.00 0.00 55.95 55.09 1cfe s SER 24 Cb 0.07 -0.36 0.05 0.00 0.10 0.00 0.00 66.02 65.88 1cfe s SER 24 CO 0.14 -0.47 0.94 0.86 0.98 0.00 0.00 173.24 175.69 1cfe s TRP 25 N -2.79 2.77 -0.35 5.02 -0.11 -1.26 -1.26 118.94 120.97 1cfe s TRP 25 Ca 0.35 -0.12 -0.26 0.00 1.22 0.00 0.00 56.10 57.29 1cfe s TRP 25 Cb 0.10 -4.11 0.01 0.00 -1.50 0.00 0.00 33.47 27.97 1cfe s TRP 25 CO 0.18 -1.41 0.92 0.34 -4.62 0.00 0.00 176.95 172.35 1cfe s ASP 26 N 3.00 6.71 0.39 5.86 -1.08 0.74 -4.90 116.67 127.40 1cfe s ASP 26 Ca 0.29 0.67 0.10 0.00 -0.52 0.00 0.00 52.55 53.08 1cfe s ASP 26 Cb -0.13 -2.46 0.81 0.00 -1.46 0.00 0.00 42.92 39.67 1cfe s ASP 26 CO 0.17 -0.80 1.93 0.00 0.52 0.00 0.00 175.17 176.99 1cfe h ALA 27 N 8.34 1.54 -0.07 3.66 0.00 -1.95 -1.75 119.26 129.03 1cfe h ALA 27 Ca -0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1cfe h ALA 27 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1cfe h ALA 27 CO 0.97 0.33 -0.19 -0.91 0.00 0.00 0.00 179.25 179.45 1cfe h ASN 28 N 0.23 0.29 -0.72 0.00 2.35 -1.95 -0.42 115.58 115.36 1cfe h ASN 28 Ca 0.05 -0.59 0.09 0.00 -0.55 0.00 0.00 56.30 55.30 1cfe h ASN 28 Cb 0.34 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.55 1cfe h ASN 28 CO 0.02 0.83 0.37 -0.07 -1.65 0.00 0.00 177.43 176.93 1cfe h LEU 29 N -0.24 0.49 -0.19 1.61 3.38 -1.85 0.15 115.31 118.66 1cfe h LEU 29 Ca -0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1cfe h LEU 29 Cb 0.80 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1cfe h LEU 29 CO 0.04 0.28 0.08 0.00 0.09 0.00 0.00 178.44 178.94 1cfe h ALA 30 N 1.43 0.22 -0.63 1.53 0.00 -1.07 0.61 119.26 121.36 1cfe h ALA 30 Ca 0.35 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1cfe h ALA 30 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1cfe h ALA 30 CO -0.26 -0.34 0.40 0.66 0.00 0.00 0.00 179.25 179.71 1cfe h SER 31 N 0.19 0.67 -0.03 0.00 4.64 -0.22 -0.08 113.55 118.71 1cfe h SER 31 Ca 0.08 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1cfe h SER 31 Cb 0.03 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1cfe h SER 31 CO -0.06 0.47 0.02 -0.09 -0.87 0.00 0.00 176.83 176.30 1cfe h ARG 32 N 0.79 0.05 0.36 4.77 2.43 -0.35 0.20 114.38 122.64 1cfe h ARG 32 Ca 0.24 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1cfe h ARG 32 Cb -0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1cfe h ARG 32 CO -0.08 0.05 -0.28 0.00 -1.51 0.00 0.00 179.97 178.14 1cfe h ALA 33 N 1.00 -0.64 -0.43 2.80 0.00 -0.60 0.06 119.26 121.45 1cfe h ALA 33 Ca 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1cfe h ALA 33 Cb 0.01 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1cfe h ALA 33 CO -0.00 -0.88 -0.32 1.96 0.00 0.00 0.00 179.25 180.00 1cfe h GLN 34 N -0.64 -0.23 0.51 0.00 1.08 -0.84 -0.08 115.11 114.91 1cfe h GLN 34 Ca -0.03 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1cfe h GLN 34 Cb 0.56 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1cfe h GLN 34 CO -0.01 -0.15 -0.35 -0.91 -0.95 0.00 0.00 178.83 176.46 1cfe h ASN 35 N -0.23 -0.91 -0.27 1.46 -0.26 -0.41 0.16 115.58 115.12 1cfe h ASN 35 Ca 0.18 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 56.04 1cfe h ASN 35 Cb 0.54 0.28 -0.08 0.00 -1.06 0.00 0.00 38.32 38.00 1cfe h ASN 35 CO -0.56 -0.54 -0.38 0.22 -1.06 0.00 0.00 177.43 175.11 1cfe h TYR 36 N -0.84 -1.08 -0.27 1.19 5.03 -0.66 0.20 116.97 120.54 1cfe h TYR 36 Ca -0.06 0.05 0.05 0.00 2.58 0.00 0.00 58.73 61.36 1cfe h TYR 36 Cb 0.70 0.51 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 1cfe h TYR 36 CO -0.13 -0.43 -0.06 0.00 -1.32 0.00 0.00 178.16 176.22 1cfe h ALA 37 N 0.41 0.19 -0.28 1.82 0.00 -0.83 -2.46 119.26 118.10 1cfe h ALA 37 Ca 0.12 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1cfe h ALA 37 Cb 0.58 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1cfe h ALA 37 CO -0.47 -0.46 -0.07 -0.91 0.00 0.00 0.00 179.25 177.33 1cfe h ASN 38 N 0.01 -0.27 -0.24 0.00 2.35 0.05 -3.00 115.58 114.48 1cfe h ASN 38 Ca 0.13 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1cfe h ASN 38 Cb 0.20 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1cfe h ASN 38 CO -0.28 -0.09 0.09 0.28 -1.65 0.00 0.00 177.43 175.78 1cfe h SER 39 N -0.00 0.10 0.00 5.81 0.02 -0.18 -2.45 113.55 116.84 1cfe h SER 39 Ca 0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1cfe h SER 39 Cb 0.21 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1cfe h SER 39 CO -0.29 0.09 0.00 0.54 -1.14 0.00 0.00 176.83 176.03 1cfe n ARG 40 N -5.03 0.96 -0.18 3.45 1.74 -1.02 -4.48 116.66 112.09 1cfe n ARG 40 Ca -0.02 0.00 0.26 0.00 -0.77 0.00 0.00 57.85 57.32 1cfe n ARG 40 Cb 0.08 -1.37 0.67 0.00 -1.02 0.00 0.00 32.46 30.82 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cfe h ALA 41 N 3.66 2.65 -0.97 7.54 0.00 -1.39 0.22 119.26 130.98 1cfe h ALA 41 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1cfe h ALA 41 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1cfe h ALA 41 CO 0.00 -0.91 0.62 0.78 0.00 0.00 0.00 179.25 179.73 1cfe h GLY 42 N 0.11 1.52 0.00 0.00 0.00 -1.85 -3.35 103.07 99.49 1cfe h GLY 42 Ca 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1cfe h GLY 42 CO -0.05 0.17 -0.20 2.09 0.00 0.00 0.00 176.54 178.54 1cfe n ASP 43 N -4.59 0.97 -2.48 0.19 5.75 -0.24 -4.77 116.55 111.38 1cfe n ASP 43 Ca 0.18 0.14 -0.20 0.00 -0.01 0.00 0.00 54.79 54.90 1cfe n ASP 43 Cb 0.35 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.91 7.14 -4.06 0.00 4.05 -1.26 -3.16 115.26 116.06 1cfe n ASN 45 Ca -0.16 -2.56 -0.31 0.00 0.45 0.00 0.00 54.58 51.99 1cfe n ASN 45 Cb 0.64 -1.47 -0.08 0.00 1.23 0.00 0.00 39.78 40.11 1cfe n ASN 45 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1cfe n LEU 46 N 4.19 -0.76 -4.69 1.20 4.77 -1.26 -4.90 117.00 115.55 1cfe n LEU 46 Ca 0.68 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 1cfe n LEU 46 Cb 0.24 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 1cfe n LEU 46 CO 0.84 0.26 0.56 -0.63 -1.33 0.00 0.00 177.39 177.09 1cfe s ILE 47 N -3.61 4.93 -4.88 -0.08 1.09 -1.26 -4.94 121.20 112.44 1cfe s ILE 47 Ca 0.32 1.63 0.00 0.00 -1.10 0.00 0.00 60.65 61.50 1cfe s ILE 47 Cb -0.19 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.08 1cfe s ILE 47 CO 0.86 0.11 0.00 1.57 -0.10 0.00 0.00 174.94 177.37 1cfe n HIS 48 N 4.67 0.00 -1.90 3.97 -0.00 -1.26 -5.06 115.22 115.64 1cfe n HIS 48 Ca 0.03 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.17 1cfe n HIS 48 Cb 0.50 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.36 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 0.00 -2.11 -3.58 0.26 3.41 -1.26 -4.94 113.62 105.41 1cfe n SER 49 Ca 0.00 0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.21 1cfe n SER 49 Cb 0.00 -1.25 -0.05 0.00 -0.26 0.00 0.00 64.21 62.65 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 -1.27 2.66 1.66 5.00 0.00 -1.26 -4.81 105.19 107.17 1cfe n GLY 50 Ca -0.04 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 7.11 -3.10 0.00 4.61 0.00 -1.26 -4.83 120.51 123.04 1cfe n ALA 51 Ca 0.49 0.33 0.00 0.00 0.00 0.00 0.00 53.44 54.26 1cfe n ALA 51 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.17 1.99 3.18 0.00 0.00 0.03 -4.84 105.19 102.39 1cfe n GLY 52 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.95 0.16 1.61 8.01 -1.26 -0.58 118.70 127.59 1cfe s GLU 53 Ca 0.00 -1.44 0.00 0.00 0.01 0.00 0.00 54.97 53.55 1cfe s GLU 53 Cb 0.00 -0.01 -0.04 0.00 -4.31 0.00 0.00 34.13 29.77 1cfe s GLU 53 CO 0.00 -0.16 0.04 0.54 0.01 0.00 0.00 175.26 175.69 1cfe s ASN 54 N -3.08 0.73 0.16 -0.19 2.20 -0.73 -4.51 114.94 109.52 1cfe s ASN 54 Ca 0.20 -1.22 -0.02 0.00 -0.94 0.00 0.00 52.86 50.88 1cfe s ASN 54 Cb 0.07 0.22 -0.04 0.00 -2.00 0.00 0.00 41.25 39.50 1cfe s ASN 54 CO 0.00 -0.67 0.12 -0.76 -2.94 0.00 0.00 177.10 172.85 1cfe s LEU 55 N -3.13 1.42 0.10 3.54 1.43 -1.26 -1.88 118.68 118.90 1cfe s LEU 55 Ca 0.26 -1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 1cfe s LEU 55 Cb 0.07 0.45 0.03 0.00 0.03 0.00 0.00 46.19 46.77 1cfe s LEU 55 CO 0.04 -0.80 0.35 0.00 0.23 0.00 0.00 176.35 176.17 1cfe s ALA 56 N -4.08 -0.76 0.14 4.21 0.00 0.69 -4.97 121.76 116.98 1cfe s ALA 56 Ca 0.29 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1cfe s ALA 56 Cb 0.07 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1cfe s ALA 56 CO 0.06 -0.57 -0.03 -1.59 0.00 0.00 0.00 175.76 173.62 1cfe s LYS 57 N -3.56 1.00 0.00 0.00 -2.85 -1.25 -2.18 119.74 110.90 1cfe s LYS 57 Ca 0.02 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 1cfe s LYS 57 Cb 0.02 -0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.54 1cfe s LYS 57 CO -0.10 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.68 1cfe n GLY 58 N -0.16 1.49 0.00 0.59 0.00 -1.24 -4.86 105.19 101.01 1cfe n GLY 58 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.59 3.53 -0.02 0.00 -1.26 -4.49 105.19 103.53 1cfe n GLY 59 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1cfe n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cfe s GLY 60 N 0.00 1.43 -0.17 -0.02 0.00 -1.26 -4.75 107.32 102.56 1cfe s GLY 60 Ca 0.00 -2.35 -0.15 0.00 0.00 0.00 0.00 44.72 42.22 1cfe s GLY 60 CO 0.00 2.48 0.25 2.09 0.00 0.00 0.00 173.10 177.93 1cfe n ASP 61 N 8.23 -2.19 -1.36 1.64 5.75 -1.26 -4.75 116.55 122.61 1cfe n ASP 61 Ca 0.28 -0.06 -0.02 0.00 -0.01 0.00 0.00 54.79 54.99 1cfe n ASP 61 Cb 0.50 -0.63 0.01 0.00 -1.03 0.00 0.00 41.12 39.97 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 -0.02 0.16 0.00 2.11 7.35 -1.26 -4.91 117.46 120.88 1cfe n PHE 62 Ca -0.03 -0.90 0.00 0.00 -0.76 0.00 0.00 57.45 55.76 1cfe n PHE 62 Cb 0.27 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.65 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 1.02 0.00 0.00 -2.13 -2.24 -1.26 -4.52 114.28 105.15 1cfe n THR 63 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1cfe n THR 63 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.74 0.20 3.38 0.00 -0.84 -4.33 105.19 104.34 1cfe n GLY 64 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 0.22 -0.68 1.61 2.43 -1.29 -0.33 114.38 116.35 1cfe h ARG 65 Ca 0.00 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1cfe h ARG 65 Cb 0.00 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1cfe h ARG 65 CO 0.00 0.15 0.45 0.00 -1.51 0.00 0.00 179.97 179.06 1cfe h ALA 66 N 1.40 1.85 0.05 2.80 0.00 -1.83 -0.53 119.26 123.00 1cfe h ALA 66 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cfe h ALA 66 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1cfe h ALA 66 CO -0.33 0.02 -0.03 0.00 0.00 0.00 0.00 179.25 178.91 1cfe h ALA 67 N 1.65 -0.07 -0.07 0.00 0.00 -1.29 0.34 119.26 119.82 1cfe h ALA 67 Ca 0.30 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1cfe h ALA 67 Cb 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1cfe h ALA 67 CO -0.10 -0.50 -0.01 0.28 0.00 0.00 0.00 179.25 178.92 1cfe h VAL 68 N -0.15 0.94 -0.80 0.00 2.07 -1.15 -0.84 116.25 116.31 1cfe h VAL 68 Ca -0.01 -0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 1cfe h VAL 68 Cb 0.13 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1cfe h VAL 68 CO 0.01 0.00 0.55 1.56 0.02 0.00 0.00 177.57 179.71 1cfe h GLN 69 N 0.01 0.27 -0.13 1.57 1.08 -0.88 0.38 115.11 117.41 1cfe h GLN 69 Ca 0.03 -0.02 -0.21 0.00 -1.45 0.00 0.00 58.65 57.01 1cfe h GLN 69 Cb 0.05 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1cfe h GLN 69 CO -0.07 0.18 -0.73 1.25 -0.95 0.00 0.00 178.83 178.52 1cfe h LEU 70 N 0.28 0.86 -0.84 1.46 7.12 0.10 -1.80 115.31 122.49 1cfe h LEU 70 Ca 0.40 -0.64 0.03 0.00 0.13 0.00 0.00 57.88 57.79 1cfe h LEU 70 Cb 1.14 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.97 1cfe h LEU 70 CO -0.11 1.37 0.54 -0.50 -0.13 0.00 0.00 178.44 179.61 1cfe h TRP 71 N 0.41 1.02 0.00 1.25 6.55 -0.03 -0.87 115.95 124.28 1cfe h TRP 71 Ca -0.06 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1cfe h TRP 71 Cb 1.37 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 29.33 1cfe h TRP 71 CO 0.10 0.60 0.00 0.28 -1.05 0.00 0.00 178.44 178.37 1cfe n VAL 72 N -4.55 0.46 0.30 1.49 0.31 -0.04 -3.25 118.33 113.06 1cfe n VAL 72 Ca 0.10 0.12 0.18 0.00 -0.01 0.00 0.00 64.34 64.72 1cfe n VAL 72 Cb 0.07 -0.85 0.93 0.00 -0.91 0.00 0.00 33.84 33.08 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 0.00 0.00 0.00 4.52 4.64 -0.29 -2.65 113.55 119.77 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 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 -3.12 0.25 -0.05 4.77 -0.58 -1.20 -4.30 120.64 116.41 1cfe n GLU 74 Ca -0.01 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.61 1cfe n GLU 74 Cb 0.30 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 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 2.43 0.28 -0.79 3.49 2.43 -1.81 -2.45 114.38 117.96 1cfe h ARG 75 Ca 0.00 -0.11 0.24 0.00 -0.81 0.00 0.00 59.98 59.30 1cfe h ARG 75 Cb 0.25 -0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.64 1cfe h ARG 75 CO 0.00 0.58 0.10 -0.35 -1.51 0.00 0.00 179.97 178.79 1cfe n PRO 76 N -4.69 -0.06 0.00 0.20 -0.04 -1.26 -0.89 135.00 128.25 1cfe n PRO 76 Ca -0.06 1.17 0.14 0.00 -0.04 0.00 0.00 63.50 64.71 1cfe n PRO 76 Cb 0.27 -1.91 0.64 0.00 -0.04 0.00 0.00 33.50 32.46 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 -5.05 0.40 -4.66 3.54 3.41 -0.96 -4.76 113.62 105.54 1cfe n SER 77 Ca 0.21 -0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 1cfe n SER 77 Cb 0.70 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 1cfe n SER 77 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1cfe s TYR 78 N -2.47 3.35 0.00 7.33 2.02 -0.07 -0.26 117.35 127.25 1cfe s TYR 78 Ca 0.29 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 58.24 1cfe s TYR 78 Cb 0.20 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 1cfe s TYR 78 CO 0.47 -0.37 0.00 -1.71 -1.57 0.00 0.00 175.55 172.37 1cfe n ASN 79 N 5.82 0.00 0.00 2.29 2.85 -1.20 -4.71 115.26 120.31 1cfe n ASN 79 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1cfe n ASN 79 Cb 0.48 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.43 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 -1.92 0.00 -0.27 1.20 9.36 -0.01 -4.85 117.16 120.66 1cfe n TYR 80 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1cfe n TYR 80 Cb 0.00 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 38.77 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cfe h ALA 81 N 0.00 0.94 -0.71 2.98 0.00 -1.96 0.23 119.26 120.75 1cfe h ALA 81 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.46 1cfe h ALA 81 Cb 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 17.79 17.27 1cfe h ALA 81 CO 0.00 0.38 0.49 0.25 0.00 0.00 0.00 179.25 180.37 1cfe n THR 82 N -4.55 2.66 -4.37 0.00 -2.24 -1.26 -4.90 114.28 99.62 1cfe n THR 82 Ca 0.07 -1.49 -0.38 0.00 -2.27 0.00 0.00 64.05 59.98 1cfe n THR 82 Cb 0.03 -0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.59 -1.71 -3.15 3.42 4.05 0.80 -4.87 115.26 113.21 1cfe n ASN 83 Ca 0.43 -1.17 -0.12 0.00 0.45 0.00 0.00 54.58 54.17 1cfe n ASN 83 Cb 1.22 -2.05 -0.01 0.00 1.23 0.00 0.00 39.78 40.16 1cfe n ASN 83 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1cfe s GLN 84 N -7.13 2.03 1.19 1.20 -1.52 -1.26 -4.87 119.66 109.30 1cfe s GLN 84 Ca 0.61 -1.59 -0.13 0.00 -1.95 0.00 0.00 55.36 52.30 1cfe s GLN 84 Cb -0.35 0.52 0.29 0.00 -0.22 0.00 0.00 33.01 33.25 1cfe s GLN 84 CO 0.98 -0.89 0.96 0.00 -0.25 0.00 0.00 175.29 176.09 1cfe s VAL 86 N -2.39 2.45 -0.00 0.00 1.01 0.64 -4.57 120.40 117.54 1cfe s VAL 86 Ca 0.68 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 1cfe s VAL 86 Cb -0.25 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1cfe s VAL 86 CO 0.65 0.02 0.56 1.23 0.00 0.00 0.00 175.10 177.57 1cfe h GLY 87 N 2.06 -0.08 -5.98 4.51 0.00 -1.94 -3.37 103.07 98.26 1cfe h GLY 87 Ca -0.50 0.03 -0.68 0.00 0.00 0.00 0.00 47.33 46.18 1cfe h GLY 87 CO 0.60 -0.03 3.00 0.61 0.00 0.00 0.00 176.54 180.72 1cfe n GLY 88 N 0.36 3.93 1.10 4.60 0.00 -1.26 -4.66 105.19 109.26 1cfe n GLY 88 Ca -0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 5.97 0.33 -4.31 1.61 4.76 -1.26 -5.11 118.16 120.15 1cfe n LYS 89 Ca 0.54 -0.66 -0.20 0.00 -2.87 0.00 0.00 58.31 55.12 1cfe n LYS 89 Cb 0.37 0.81 -0.11 0.00 -1.84 0.00 0.00 35.03 34.26 1cfe n LYS 89 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1cfe s LYS 90 N -2.03 1.20 0.00 1.97 1.02 -1.26 -5.05 119.74 115.59 1cfe s LYS 90 Ca 0.05 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.66 1cfe s LYS 90 Cb -0.01 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.13 1cfe s LYS 90 CO 0.04 0.23 0.00 0.00 -0.92 0.00 0.00 175.35 174.69 1cfe n ARG 92 N -1.82 0.00 -0.03 0.00 0.00 -1.26 -1.22 116.66 112.34 1cfe n ARG 92 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1cfe n ARG 92 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 1cfe n ARG 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1cfe h HIS 93 N 0.00 0.61 -0.50 -0.14 3.86 -1.96 -3.28 115.15 113.73 1cfe h HIS 93 Ca 0.00 -0.27 0.04 0.00 -1.16 0.00 0.00 60.37 58.98 1cfe h HIS 93 Cb 0.00 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1cfe h HIS 93 CO 0.00 1.04 0.34 0.10 0.86 0.00 0.00 177.93 180.27 1cfe h TYR 94 N -0.00 0.52 -0.72 2.45 -0.00 -1.33 -0.31 116.97 117.58 1cfe h TYR 94 Ca -0.03 0.01 0.16 0.00 0.00 0.00 0.00 58.73 58.87 1cfe h TYR 94 Cb 1.11 -0.17 -0.11 0.00 0.00 0.00 0.00 36.73 37.55 1cfe h TYR 94 CO 0.12 0.30 0.12 1.79 -0.00 0.00 0.00 178.16 180.50 1cfe h THR 95 N 0.54 0.48 -0.61 -0.90 1.35 -1.74 0.19 112.91 112.21 1cfe h THR 95 Ca 0.21 -0.07 -0.05 0.00 -0.55 0.00 0.00 66.41 65.95 1cfe h THR 95 Cb 0.15 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 66.79 1cfe h THR 95 CO -0.05 0.04 0.21 -0.61 -0.25 0.00 0.00 175.52 174.85 1cfe h GLN 96 N 0.21 0.94 -0.65 4.72 5.75 -1.21 0.40 115.11 125.27 1cfe h GLN 96 Ca 0.40 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1cfe h GLN 96 Cb 0.69 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 1cfe h GLN 96 CO -0.54 0.83 0.17 0.28 -2.65 0.00 0.00 178.83 176.92 1cfe h VAL 97 N 0.87 1.25 -0.00 2.39 2.07 -0.53 -2.40 116.25 119.90 1cfe h VAL 97 Ca 0.20 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1cfe h VAL 97 Cb 0.27 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1cfe h VAL 97 CO -0.01 0.34 -0.16 0.55 0.02 0.00 0.00 177.57 178.31 1cfe n VAL 98 N -4.25 0.00 -1.59 2.57 3.14 0.24 -4.58 118.33 113.86 1cfe n VAL 98 Ca 0.05 -0.02 -0.46 0.00 -2.96 0.00 0.00 64.34 60.95 1cfe n VAL 98 Cb 0.24 -0.19 -0.04 0.00 -1.06 0.00 0.00 33.84 32.79 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 -1.33 2.01 0.10 1.45 -0.00 0.11 -4.76 117.44 115.02 1cfe n TRP 99 Ca 0.09 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.50 57.42 1cfe n TRP 99 Cb 0.32 -2.68 -0.06 0.00 -0.00 0.00 0.00 31.31 28.88 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 12.80 -0.54 -1.77 5.87 9.65 -0.85 -3.32 114.38 136.21 1cfe h ARG 100 Ca -0.40 0.04 -0.21 0.00 -1.10 0.00 0.00 59.98 58.31 1cfe h ARG 100 Cb 1.27 0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 29.89 1cfe h ARG 100 CO 0.97 -0.36 0.20 0.09 2.80 0.00 0.00 179.97 183.67 1cfe n ASN 101 N -5.44 5.96 -3.31 -3.80 3.02 -1.26 -4.40 115.26 106.04 1cfe n ASN 101 Ca -0.06 -2.79 -0.08 0.00 -0.03 0.00 0.00 54.58 51.62 1cfe n ASN 101 Cb 0.35 -1.12 -0.06 0.00 -0.61 0.00 0.00 39.78 38.33 1cfe n ASN 101 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1cfe s SER 102 N 1.01 0.13 0.10 6.41 0.01 -1.25 -4.35 113.70 115.76 1cfe s SER 102 Ca 0.24 0.04 0.22 0.00 1.31 0.00 0.00 55.95 57.77 1cfe s SER 102 Cb 0.17 1.21 -0.11 0.00 0.21 0.00 0.00 66.02 67.50 1cfe s SER 102 CO -0.02 -0.32 0.85 1.33 0.41 0.00 0.00 173.24 175.50 1cfe n VAL 103 N 5.37 0.35 -3.06 3.43 0.24 -1.13 -4.83 118.33 118.70 1cfe n VAL 103 Ca -0.02 -0.49 -0.40 0.00 -2.04 0.00 0.00 64.34 61.39 1cfe n VAL 103 Cb 0.50 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.67 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 -3.39 4.33 -0.03 7.34 0.52 -0.86 -0.80 118.95 126.06 1cfe s ARG 104 Ca -0.02 0.79 0.04 0.00 -0.52 0.00 0.00 55.73 56.02 1cfe s ARG 104 Cb 0.12 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 1cfe s ARG 104 CO 0.83 -0.10 -0.14 -1.17 0.02 0.00 0.00 175.30 174.74 1cfe s LEU 105 N 1.40 1.93 0.03 2.53 0.20 -0.39 -2.30 118.68 122.09 1cfe s LEU 105 Ca 0.34 -0.28 -0.14 0.00 0.69 0.00 0.00 54.13 54.74 1cfe s LEU 105 Cb -0.17 -0.79 0.02 0.00 -0.43 0.00 0.00 46.19 44.83 1cfe s LEU 105 CO 0.14 0.14 0.32 -0.83 -0.29 0.00 0.00 176.35 175.83 1cfe s GLY 106 N -0.08 -0.14 0.17 7.98 0.00 -0.66 -0.18 107.32 114.40 1cfe s GLY 106 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 1cfe s GLY 106 CO 0.01 -0.11 0.13 0.00 0.00 0.00 0.00 173.10 173.12 1cfe s GLY 108 N -3.09 -0.46 -0.36 0.00 0.00 0.14 -4.45 107.32 99.10 1cfe s GLY 108 Ca 0.31 1.59 0.01 0.00 0.00 0.00 0.00 44.72 46.63 1cfe s GLY 108 CO 0.07 1.33 0.13 -1.60 0.00 0.00 0.00 173.10 173.03 1cfe s ARG 109 N 0.02 1.12 -0.20 2.90 3.52 -1.26 -0.41 118.95 124.64 1cfe s ARG 109 Ca -0.02 -1.60 -0.08 0.00 -0.13 0.00 0.00 55.73 53.89 1cfe s ARG 109 Cb -0.04 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 1cfe s ARG 109 CO 0.02 -1.02 0.09 0.00 -0.81 0.00 0.00 175.30 173.58 1cfe s ALA 110 N 1.01 3.47 -0.27 6.12 0.00 -0.34 -4.91 121.76 126.85 1cfe s ALA 110 Ca 0.12 -0.80 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 1cfe s ALA 110 Cb -0.20 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1cfe s ALA 110 CO -0.13 0.03 0.88 0.50 0.00 0.00 0.00 175.76 177.04 1cfe s ARG 111 N 0.63 4.11 0.30 0.00 3.00 -1.26 -0.55 118.95 125.18 1cfe s ARG 111 Ca 0.05 0.90 0.02 0.00 -1.00 0.00 0.00 55.73 55.70 1cfe s ARG 111 Cb -0.13 -3.68 -0.01 0.00 0.00 0.00 0.00 34.95 31.13 1cfe s ARG 111 CO 0.01 -0.64 0.07 0.00 0.00 0.00 0.00 175.30 174.74 1cfe n ASN 113 N -1.54 0.00 0.04 0.00 3.02 -1.26 -2.73 115.26 112.79 1cfe n ASN 113 Ca -0.07 0.41 0.06 0.00 -0.03 0.00 0.00 54.58 54.95 1cfe n ASN 113 Cb 0.43 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 1cfe n ASN 113 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1cfe n ASN 114 N -1.00 0.57 0.26 6.41 0.23 -1.25 -2.90 115.26 117.58 1cfe n ASN 114 Ca 0.00 0.24 0.13 0.00 -0.53 0.00 0.00 54.58 54.42 1cfe n ASN 114 Cb 0.00 0.79 0.81 0.00 -2.08 0.00 0.00 39.78 39.30 1cfe n ASN 114 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1cfe h GLY 115 N 3.92 0.00 0.00 4.83 0.00 -1.68 -3.47 103.07 106.67 1cfe h GLY 115 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1cfe h GLY 115 CO 0.02 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.35 1cfe n TRP 116 N -4.07 0.00 -3.87 5.60 8.01 -1.10 -3.29 117.44 118.72 1cfe n TRP 116 Ca -0.02 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.87 1cfe n TRP 116 Cb 0.14 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.30 1cfe n TRP 116 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 1cfe s TRP 117 N 0.00 2.75 -0.95 -5.99 0.52 -1.26 -2.15 118.94 111.86 1cfe s TRP 117 Ca 0.00 -2.67 -0.22 0.00 0.02 0.00 0.00 56.10 53.24 1cfe s TRP 117 Cb 0.00 -2.40 0.08 0.00 -1.15 0.00 0.00 33.47 30.00 1cfe s TRP 117 CO 0.00 -0.83 1.30 0.12 0.02 0.00 0.00 176.95 177.56 1cfe s PHE 118 N 0.56 2.71 -0.03 -1.98 2.19 0.29 -3.68 117.98 118.03 1cfe s PHE 118 Ca 0.14 -0.95 -0.26 0.00 0.33 0.00 0.00 56.93 56.19 1cfe s PHE 118 Cb -0.22 -4.53 -0.03 0.00 -1.31 0.00 0.00 43.02 36.92 1cfe s PHE 118 CO -0.07 -1.78 0.83 0.42 1.83 0.00 0.00 175.22 176.45 1cfe s ILE 119 N 4.22 4.96 -0.03 3.12 1.01 -0.93 -1.20 121.20 132.36 1cfe s ILE 119 Ca 0.39 1.73 0.05 0.00 0.00 0.00 0.00 60.65 62.83 1cfe s ILE 119 Cb -0.03 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1cfe s ILE 119 CO -0.07 0.21 -0.19 -0.94 0.00 0.00 0.00 174.94 173.95 1cfe s SER 120 N 0.89 2.33 -0.02 3.58 1.04 0.45 -0.22 113.70 121.75 1cfe s SER 120 Ca 0.44 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.55 1cfe s SER 120 Cb -0.19 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 65.48 1cfe s SER 120 CO 0.23 0.21 -0.18 0.00 0.98 0.00 0.00 173.24 174.48 1cfe s ASN 122 N -0.36 3.01 0.00 0.00 -0.87 0.44 -1.78 114.94 115.39 1cfe s ASN 122 Ca 0.06 -0.59 -0.00 0.00 -1.57 0.00 0.00 52.86 50.75 1cfe s ASN 122 Cb -0.07 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.25 40.89 1cfe s ASN 122 CO -0.00 0.22 0.00 -0.31 -2.57 0.00 0.00 177.10 174.44 1cfe s TYR 123 N -0.84 0.06 -0.06 2.20 2.02 0.25 -1.66 117.35 119.33 1cfe s TYR 123 Ca 0.11 -0.11 -0.18 0.00 -0.37 0.00 0.00 57.07 56.52 1cfe s TYR 123 Cb -0.10 -0.05 0.04 0.00 -0.40 0.00 0.00 41.96 41.45 1cfe s TYR 123 CO 0.02 -0.06 0.41 0.34 -1.57 0.00 0.00 175.55 174.70 1cfe s ASP 124 N -0.38 -0.34 0.31 2.29 2.15 -0.97 -3.86 116.67 115.87 1cfe s ASP 124 Ca -0.04 0.41 -0.27 0.00 0.43 0.00 0.00 52.55 53.08 1cfe s ASP 124 Cb -0.03 0.51 -0.14 0.00 -0.30 0.00 0.00 42.92 42.96 1cfe s ASP 124 CO -0.00 -0.39 0.91 -0.81 -0.17 0.00 0.00 175.17 174.71 1cfe n PRO 125 N 1.64 1.14 -1.59 4.34 -0.04 -1.26 -2.04 135.00 137.20 1cfe n PRO 125 Ca -0.19 0.40 -0.57 0.00 -0.04 0.00 0.00 63.50 63.10 1cfe n PRO 125 Cb 0.56 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.01 0.04 -2.98 0.52 0.24 -1.26 -4.39 118.33 110.48 1cfe n VAL 126 Ca 0.10 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.34 62.19 1cfe n VAL 126 Cb 0.33 -0.51 0.02 0.00 -1.47 0.00 0.00 33.84 32.20 1cfe n VAL 126 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cfe s GLY 127 N 0.91 1.69 -0.25 7.63 0.00 -1.25 -4.22 107.32 111.82 1cfe s GLY 127 Ca 0.91 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1cfe s GLY 127 CO 0.57 -1.09 0.00 -2.01 0.00 0.00 0.00 173.10 170.57 1cfe n ASN 128 N -2.05 -5.14 -4.87 1.64 2.85 -1.26 -0.79 115.26 105.63 1cfe n ASN 128 Ca 0.04 0.06 -0.36 0.00 -0.11 0.00 0.00 54.58 54.21 1cfe n ASN 128 Cb 0.58 -2.85 -0.06 0.00 1.24 0.00 0.00 39.78 38.69 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1cfe s TRP 129 N -1.47 3.62 0.49 1.20 -0.11 -1.26 -4.84 118.94 116.57 1cfe s TRP 129 Ca 0.00 0.68 -0.21 0.00 1.22 0.00 0.00 56.10 57.80 1cfe s TRP 129 Cb 0.00 -2.06 -0.08 0.00 -1.50 0.00 0.00 33.47 29.83 1cfe s TRP 129 CO 0.00 0.64 1.07 0.42 -4.62 0.00 0.00 176.95 174.46 1cfe s ILE 130 N -1.20 3.58 0.00 5.86 -1.09 -1.26 -3.91 121.20 123.18 1cfe s ILE 130 Ca 0.24 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1cfe s ILE 130 Cb -0.14 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1cfe s ILE 130 CO 0.13 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 1cfe n GLY 131 N -0.03 0.96 2.02 6.18 0.00 -1.26 -4.88 105.19 108.18 1cfe n GLY 131 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1cfe n GLY 131 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cfe n GLN 132 N -0.43 0.00 -0.40 1.61 6.02 -1.25 -5.18 117.38 117.75 1cfe n GLN 132 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1cfe n GLN 132 Cb 0.42 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.68 1cfe n GLN 132 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1cfe n ARG 133 N -2.58 -1.03 0.21 -1.09 1.74 -1.26 -4.88 116.66 107.78 1cfe n ARG 133 Ca 0.00 0.81 -0.09 0.00 -0.77 0.00 0.00 57.85 57.80 1cfe n ARG 133 Cb 0.00 -1.03 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 1cfe n ARG 133 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1cfe h PRO 134 N -0.01 -0.56 0.00 5.56 0.13 -1.91 -3.39 132.00 131.82 1cfe h PRO 134 Ca -0.01 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1cfe h PRO 134 Cb 0.26 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1cfe h PRO 134 CO 0.00 -0.38 0.00 2.48 -0.23 0.00 0.00 178.00 179.88