#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 1.46 -4.87 1.08 3.02 -1.26 -0.37 115.26 114.32 1cfe n ASN 2 Ca 0.00 -3.01 -0.31 0.00 -0.03 0.00 0.00 54.58 51.24 1cfe n ASN 2 Cb 0.00 -0.41 -0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1cfe n ASN 2 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1cfe s SER 3 N -2.55 6.31 0.12 6.41 0.01 -1.26 -4.94 113.70 117.80 1cfe s SER 3 Ca 0.30 1.35 -0.20 0.00 1.31 0.00 0.00 55.95 58.72 1cfe s SER 3 Cb 0.30 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 64.03 1cfe s SER 3 CO -0.06 -0.75 1.76 1.55 0.41 0.00 0.00 173.24 176.15 1cfe h PRO 4 N 0.05 0.27 0.00 12.44 0.13 -1.99 -0.61 132.00 142.29 1cfe h PRO 4 Ca -0.45 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cfe h PRO 4 Cb 1.19 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1cfe h PRO 4 CO 0.62 0.20 -0.00 -0.56 -0.23 0.00 0.00 178.00 178.02 1cfe h GLN 5 N 0.27 0.00 0.59 0.86 3.07 -1.96 0.04 115.11 117.97 1cfe h GLN 5 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.79 1cfe h GLN 5 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.55 1cfe h GLN 5 CO -0.02 0.00 -0.28 -0.44 0.09 0.00 0.00 178.83 178.18 1cfe h ASP 6 N 0.00 -0.67 0.39 0.06 3.32 -1.48 0.18 116.42 118.22 1cfe h ASP 6 Ca -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1cfe h ASP 6 Cb 0.03 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1cfe h ASP 6 CO 0.00 -0.31 -0.40 1.88 -1.72 0.00 0.00 179.24 178.69 1cfe h TYR 7 N -1.07 -1.08 -0.95 4.55 0.05 -1.37 -1.61 116.97 115.50 1cfe h TYR 7 Ca -0.08 0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.82 1cfe h TYR 7 Cb 0.66 0.42 -0.08 0.00 1.01 0.00 0.00 36.73 38.74 1cfe h TYR 7 CO 0.00 -0.55 0.58 -0.07 -1.05 0.00 0.00 178.16 177.08 1cfe h LEU 8 N -0.81 0.84 0.95 3.88 3.38 -1.07 -0.20 115.31 122.29 1cfe h LEU 8 Ca -0.03 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1cfe h LEU 8 Cb 0.72 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1cfe h LEU 8 CO -0.07 0.46 -0.48 0.00 0.09 0.00 0.00 178.44 178.44 1cfe h ALA 9 N 1.51 -1.34 -0.78 1.53 0.00 -0.25 0.39 119.26 120.33 1cfe h ALA 9 Ca 0.47 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1cfe h ALA 9 Cb 0.45 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1cfe h ALA 9 CO -0.26 -1.26 0.43 0.28 0.00 0.00 0.00 179.25 178.44 1cfe h VAL 10 N -1.30 0.89 -0.56 0.00 2.07 -0.94 0.69 116.25 117.09 1cfe h VAL 10 Ca -0.13 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1cfe h VAL 10 Cb 1.01 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1cfe h VAL 10 CO 0.20 0.13 0.26 0.45 0.02 0.00 0.00 177.57 178.63 1cfe h HIS 11 N 0.72 0.81 -0.59 1.57 -0.00 -0.90 -1.00 115.15 115.76 1cfe h HIS 11 Ca 0.38 -0.04 0.09 0.00 -0.00 0.00 0.00 60.37 60.79 1cfe h HIS 11 Cb 0.36 -0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 27.45 1cfe h HIS 11 CO -0.08 0.63 0.22 -0.91 -0.00 0.00 0.00 177.93 177.79 1cfe h ASN 12 N 0.76 0.21 0.94 2.45 2.35 0.19 0.97 115.58 123.45 1cfe h ASN 12 Ca 0.19 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1cfe h ASN 12 Cb 0.13 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.56 1cfe h ASN 12 CO -0.02 0.13 -0.48 -0.78 -1.65 0.00 0.00 177.43 174.63 1cfe h ASP 13 N 0.39 -1.15 -0.62 5.81 1.82 -0.69 0.28 116.42 122.27 1cfe h ASP 13 Ca 0.30 0.05 0.12 0.00 -0.39 0.00 0.00 57.03 57.10 1cfe h ASP 13 Cb 0.36 0.31 -0.09 0.00 0.68 0.00 0.00 39.33 40.59 1cfe h ASP 13 CO -0.30 -0.79 0.11 0.00 -1.61 0.00 0.00 179.24 176.65 1cfe h ALA 14 N -1.25 0.73 -0.38 -0.78 0.00 -0.98 0.91 119.26 117.50 1cfe h ALA 14 Ca -0.13 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cfe h ALA 14 Cb 1.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1cfe h ALA 14 CO 0.19 -0.33 0.21 0.00 0.00 0.00 0.00 179.25 179.33 1cfe h ARG 15 N 0.24 0.53 -1.00 0.00 3.08 -0.73 -2.39 114.38 114.11 1cfe h ARG 15 Ca 0.33 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.45 1cfe h ARG 15 Cb 0.51 -0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.37 1cfe h ARG 15 CO -0.44 0.43 0.63 0.00 -1.07 0.00 0.00 179.97 179.52 1cfe h ALA 16 N 1.07 1.55 -0.58 0.04 0.00 0.14 0.13 119.26 121.62 1cfe h ALA 16 Ca 0.14 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.24 1cfe h ALA 16 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1cfe h ALA 16 CO -0.02 0.18 0.42 1.96 0.00 0.00 0.00 179.25 181.79 1cfe h GLN 17 N 0.96 0.00 -0.17 0.00 1.08 -0.36 0.03 115.11 116.65 1cfe h GLN 17 Ca 0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.71 1cfe h GLN 17 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1cfe h GLN 17 CO -0.28 0.00 0.00 1.33 -0.95 0.00 0.00 178.83 178.93 1cfe n VAL 18 N -4.35 1.11 -2.76 -0.54 0.24 -0.35 -5.00 118.33 106.68 1cfe n VAL 18 Ca 0.11 -1.10 -0.20 0.00 -2.04 0.00 0.00 64.34 61.10 1cfe n VAL 18 Cb 0.66 0.43 0.02 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.09 -0.44 3.78 7.63 0.00 0.26 -5.00 105.19 111.34 1cfe n GLY 19 Ca 0.07 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.08 4.39 1.15 1.61 1.01 -0.01 -4.95 120.40 120.51 1cfe s VAL 20 Ca 0.18 1.63 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 1cfe s VAL 20 Cb -0.08 -4.07 0.26 0.00 0.00 0.00 0.00 36.38 32.49 1cfe s VAL 20 CO 0.23 0.43 1.05 -0.83 0.00 0.00 0.00 175.10 175.98 1cfe s GLY 21 N -1.29 1.54 0.55 4.51 0.00 -1.26 -4.32 107.32 107.05 1cfe s GLY 21 Ca 0.38 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.63 1cfe s GLY 21 CO 0.25 0.29 0.81 2.56 0.00 0.00 0.00 173.10 177.01 1cfe s PRO 22 N -4.88 2.73 0.26 2.90 0.04 -1.26 -4.98 135.00 129.81 1cfe s PRO 22 Ca 0.68 -0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.33 1cfe s PRO 22 Cb -0.19 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 1cfe s PRO 22 CO 0.60 -0.66 -0.03 0.00 0.04 0.00 0.00 177.00 176.95 1cfe s MET 23 N -4.83 1.48 0.72 4.56 0.23 -1.26 -4.87 119.30 115.32 1cfe s MET 23 Ca 0.54 -1.75 0.02 0.00 -1.03 0.00 0.00 55.69 53.47 1cfe s MET 23 Cb -0.10 -0.94 0.14 0.00 -1.53 0.00 0.00 34.83 32.40 1cfe s MET 23 CO 0.41 -0.03 0.98 0.45 -2.03 0.00 0.00 175.02 174.81 1cfe n SER 24 N -0.53 1.56 -4.49 -1.18 2.88 -0.14 -4.94 113.62 106.78 1cfe n SER 24 Ca -0.05 -2.26 -0.37 0.00 -1.33 0.00 0.00 58.87 54.86 1cfe n SER 24 Cb 0.64 -0.62 -0.12 0.00 -0.75 0.00 0.00 64.21 63.36 1cfe n SER 24 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1cfe s TRP 25 N -3.08 3.12 -0.32 0.66 -0.11 -1.26 -2.82 118.94 115.13 1cfe s TRP 25 Ca 0.67 -0.28 -0.10 0.00 1.22 0.00 0.00 56.10 57.61 1cfe s TRP 25 Cb -0.04 -2.27 -0.01 0.00 -1.50 0.00 0.00 33.47 29.65 1cfe s TRP 25 CO 0.44 -0.29 0.16 0.16 -4.62 0.00 0.00 176.95 172.80 1cfe s ASP 26 N 1.60 5.62 0.24 5.86 -4.77 -0.74 -4.94 116.67 119.55 1cfe s ASP 26 Ca 0.06 -0.51 -0.05 0.00 -3.30 0.00 0.00 52.55 48.75 1cfe s ASP 26 Cb -0.15 -2.02 0.25 0.00 -1.09 0.00 0.00 42.92 39.91 1cfe s ASP 26 CO 0.05 -0.20 1.78 0.00 0.70 0.00 0.00 175.17 177.50 1cfe h ALA 27 N 8.37 1.09 0.41 2.11 0.00 -1.99 -0.88 119.26 128.38 1cfe h ALA 27 Ca -0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1cfe h ALA 27 Cb 1.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1cfe h ALA 27 CO 0.62 0.62 -0.20 -0.91 0.00 0.00 0.00 179.25 179.38 1cfe h ASN 28 N 1.00 -0.47 -0.85 0.00 2.35 -1.98 0.93 115.58 116.56 1cfe h ASN 28 Ca 0.22 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1cfe h ASN 28 Cb 0.29 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1cfe h ASN 28 CO -0.01 -0.20 0.40 -0.07 -1.65 0.00 0.00 177.43 175.91 1cfe h LEU 29 N -0.73 1.11 -0.57 1.61 3.38 -1.89 0.16 115.31 118.38 1cfe h LEU 29 Ca -0.06 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1cfe h LEU 29 Cb 0.52 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1cfe h LEU 29 CO 0.09 0.94 0.28 0.00 0.09 0.00 0.00 178.44 179.85 1cfe h ALA 30 N 1.23 0.73 -0.28 1.53 0.00 -1.04 0.24 119.26 121.67 1cfe h ALA 30 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1cfe h ALA 30 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cfe h ALA 30 CO -0.04 -0.07 0.10 0.66 0.00 0.00 0.00 179.25 179.91 1cfe h SER 31 N 0.54 0.39 -0.28 0.00 4.64 0.44 -1.42 113.55 117.85 1cfe h SER 31 Ca 0.26 -0.18 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1cfe h SER 31 Cb 0.18 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 62.09 1cfe h SER 31 CO -0.18 0.46 -0.36 -0.09 -0.87 0.00 0.00 176.83 175.79 1cfe h ARG 32 N 0.29 -0.33 -0.45 4.77 9.65 -0.36 0.12 114.38 128.08 1cfe h ARG 32 Ca 0.09 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 1cfe h ARG 32 Cb 0.20 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 1cfe h ARG 32 CO -0.01 -0.22 0.21 0.00 2.80 0.00 0.00 179.97 182.76 1cfe h ALA 33 N 0.51 0.56 0.26 2.80 0.00 -0.69 0.20 119.26 122.90 1cfe h ALA 33 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1cfe h ALA 33 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1cfe h ALA 33 CO -0.47 -0.15 -0.13 0.37 0.00 0.00 0.00 179.25 178.87 1cfe h GLN 34 N 0.43 -0.34 -0.43 0.00 5.75 -0.73 -0.01 115.11 119.78 1cfe h GLN 34 Ca 0.20 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.79 1cfe h GLN 34 Cb 0.12 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 28.66 1cfe h GLN 34 CO -0.15 -0.04 -0.44 -0.91 -2.65 0.00 0.00 178.83 174.64 1cfe h ASN 35 N -0.65 -1.46 -0.47 -0.69 2.35 -0.64 0.79 115.58 114.80 1cfe h ASN 35 Ca -0.04 0.22 0.09 0.00 -0.55 0.00 0.00 56.30 56.03 1cfe h ASN 35 Cb 0.46 0.64 -0.09 0.00 0.05 0.00 0.00 38.32 39.38 1cfe h ASN 35 CO 0.06 -0.37 -0.09 0.22 -1.65 0.00 0.00 177.43 175.60 1cfe h TYR 36 N -0.32 -0.20 0.15 1.19 3.20 -0.58 0.42 116.97 120.84 1cfe h TYR 36 Ca 0.14 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1cfe h TYR 36 Cb 0.58 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1cfe h TYR 36 CO -0.64 -0.18 -0.14 0.00 -1.64 0.00 0.00 178.16 175.55 1cfe h ALA 37 N 1.46 -0.88 -1.05 1.82 0.00 0.01 -3.12 119.26 117.50 1cfe h ALA 37 Ca 0.23 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.37 1cfe h ALA 37 Cb 0.35 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 1cfe h ALA 37 CO -0.47 -0.89 0.64 -0.91 0.00 0.00 0.00 179.25 177.62 1cfe h ASN 38 N -0.29 0.53 0.31 0.00 2.35 -0.55 -0.73 115.58 117.19 1cfe h ASN 38 Ca -0.02 0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1cfe h ASN 38 Cb 0.25 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1cfe h ASN 38 CO -0.01 0.02 -0.27 0.77 -1.65 0.00 0.00 177.43 176.29 1cfe h SER 39 N 0.42 0.00 -3.20 5.81 4.64 -0.11 -3.37 113.55 117.73 1cfe h SER 39 Ca 0.66 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.40 1cfe h SER 39 Cb 1.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.58 1cfe h SER 39 CO -0.44 0.27 -0.08 -0.13 -0.87 0.00 0.00 176.83 175.58 1cfe s ARG 40 N -4.35 4.16 -0.35 4.77 0.52 -0.28 -4.99 118.95 118.43 1cfe s ARG 40 Ca -0.03 0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 55.81 1cfe s ARG 40 Cb 0.15 -3.26 0.27 0.00 0.52 0.00 0.00 34.95 32.63 1cfe s ARG 40 CO 0.70 0.58 1.19 0.00 0.02 0.00 0.00 175.30 177.79 1cfe n ALA 41 N 2.00 -3.24 0.00 2.13 0.00 -1.26 -4.82 120.51 115.32 1cfe n ALA 41 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1cfe n ALA 41 Cb 0.51 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 1.50 1.57 2.30 0.00 0.00 -1.26 -4.91 105.19 104.38 1cfe n GLY 42 Ca 0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 1.34 0.16 1.61 5.68 -1.26 -4.75 116.55 119.33 1cfe n ASP 43 Ca 0.00 -3.07 0.13 0.00 -0.50 0.00 0.00 54.79 51.35 1cfe n ASP 43 Cb 0.00 -0.62 0.47 0.00 -1.14 0.00 0.00 41.12 39.83 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cfe n ASN 45 N -2.50 0.00 -3.25 0.00 2.04 -1.26 -4.53 115.26 105.75 1cfe n ASN 45 Ca 0.03 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.04 1cfe n ASN 45 Cb 0.34 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.53 1cfe n ASN 45 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1cfe s LEU 46 N 0.00 -0.34 -0.28 -4.53 1.43 -1.26 -4.57 118.68 109.13 1cfe s LEU 46 Ca 0.00 -1.66 -0.02 0.00 -1.03 0.00 0.00 54.13 51.41 1cfe s LEU 46 Cb 0.00 0.88 0.09 0.00 0.03 0.00 0.00 46.19 47.19 1cfe s LEU 46 CO 0.00 -0.20 0.10 -0.63 0.23 0.00 0.00 176.35 175.85 1cfe s ILE 47 N 1.23 0.54 -0.12 -0.59 1.01 -1.26 -5.12 121.20 116.88 1cfe s ILE 47 Ca 0.21 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1cfe s ILE 47 Cb -0.09 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1cfe s ILE 47 CO -0.06 -0.61 0.08 -1.38 0.00 0.00 0.00 174.94 172.98 1cfe s HIS 48 N 1.80 3.40 0.25 3.97 -3.43 -1.26 -4.98 115.29 115.03 1cfe s HIS 48 Ca 0.08 0.34 -0.12 0.00 -0.80 0.00 0.00 55.06 54.56 1cfe s HIS 48 Cb -0.17 -1.92 0.34 0.00 -1.43 0.00 0.00 32.58 29.40 1cfe s HIS 48 CO -0.26 0.54 1.51 -1.13 -2.00 0.00 0.00 174.74 173.40 1cfe n SER 49 N 2.35 -0.48 -1.18 7.38 3.41 -1.26 -4.98 113.62 118.86 1cfe n SER 49 Ca -0.19 1.68 0.11 0.00 -0.26 0.00 0.00 58.87 60.21 1cfe n SER 49 Cb 0.54 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.54 -1.40 3.51 5.00 0.00 -1.26 -4.96 105.19 104.55 1cfe n GLY 50 Ca 0.13 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.33 -2.30 0.00 4.61 0.00 -1.17 -4.54 120.51 115.77 1cfe n ALA 51 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1cfe n ALA 51 Cb 0.38 -3.82 0.00 0.00 0.00 0.00 0.00 19.45 16.01 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 -1.43 -0.24 3.11 0.00 0.00 0.39 -4.13 105.19 102.89 1cfe n GLY 52 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 0.67 -0.06 1.61 2.02 -1.26 -0.84 118.70 120.84 1cfe s GLU 53 Ca 0.00 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.08 1cfe s GLU 53 Cb 0.00 -0.41 0.01 0.00 0.10 0.00 0.00 34.13 33.83 1cfe s GLU 53 CO 0.00 0.07 -0.11 -0.80 0.02 0.00 0.00 175.26 174.44 1cfe s ASN 54 N -1.93 1.60 0.38 -0.19 0.01 -0.70 -4.77 114.94 109.34 1cfe s ASN 54 Ca -0.03 -0.26 0.07 0.00 -0.71 0.00 0.00 52.86 51.93 1cfe s ASN 54 Cb -0.07 -0.72 -0.01 0.00 0.41 0.00 0.00 41.25 40.86 1cfe s ASN 54 CO 0.00 0.03 0.42 -0.76 -1.51 0.00 0.00 177.10 175.27 1cfe s LEU 55 N 0.65 3.64 0.03 0.60 1.43 -1.26 -0.89 118.68 122.87 1cfe s LEU 55 Ca -0.13 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 1cfe s LEU 55 Cb -0.15 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 43.73 1cfe s LEU 55 CO 0.03 -0.54 0.45 0.00 0.23 0.00 0.00 176.35 176.52 1cfe s ALA 56 N -2.33 -1.14 0.04 4.21 0.00 0.96 -4.94 121.76 118.57 1cfe s ALA 56 Ca 0.47 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1cfe s ALA 56 Cb -0.07 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1cfe s ALA 56 CO 0.29 -0.44 -0.03 0.15 0.00 0.00 0.00 175.76 175.73 1cfe s LYS 57 N -2.23 0.54 -0.15 0.00 1.02 -1.26 -1.12 119.74 116.53 1cfe s LYS 57 Ca -0.07 -1.06 -0.31 0.00 0.02 0.00 0.00 55.97 54.56 1cfe s LYS 57 Cb -0.01 0.16 0.13 0.00 -0.52 0.00 0.00 37.83 37.60 1cfe s LYS 57 CO -0.00 -0.09 1.06 0.20 -0.92 0.00 0.00 175.35 175.60 1cfe s GLY 58 N -2.52 -0.26 -0.02 -3.33 0.00 -1.25 -4.95 107.32 94.99 1cfe s GLY 58 Ca 0.01 1.88 -0.03 0.00 0.00 0.00 0.00 44.72 46.57 1cfe s GLY 58 CO -0.07 0.83 0.33 -1.33 0.00 0.00 0.00 173.10 172.86 1cfe h GLY 59 N 2.30 -0.13 -4.42 0.20 0.00 -1.94 -0.37 103.07 98.70 1cfe h GLY 59 Ca -0.16 0.05 -0.54 0.00 0.00 0.00 0.00 47.33 46.68 1cfe h GLY 59 CO 0.28 -0.05 0.28 -0.32 0.00 0.00 0.00 176.54 176.74 1cfe s GLY 60 N -2.18 2.88 -1.13 4.60 0.00 -1.26 -4.19 107.32 106.03 1cfe s GLY 60 Ca -0.02 0.44 -0.13 0.00 0.00 0.00 0.00 44.72 45.01 1cfe s GLY 60 CO 0.05 1.41 0.33 2.09 0.00 0.00 0.00 173.10 176.99 1cfe n ASP 61 N 3.27 -0.97 -4.73 1.64 5.75 -1.26 -4.82 116.55 115.42 1cfe n ASP 61 Ca 0.02 -0.76 -0.36 0.00 -0.01 0.00 0.00 54.79 53.68 1cfe n ASP 61 Cb 0.50 -0.97 0.07 0.00 -1.03 0.00 0.00 41.12 39.69 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 -2.49 2.13 -0.06 2.11 5.36 -1.26 -5.02 117.98 118.75 1cfe s PHE 62 Ca 0.47 1.54 0.04 0.00 -0.96 0.00 0.00 56.93 58.02 1cfe s PHE 62 Cb -0.27 -3.56 -0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1cfe s PHE 62 CO 0.63 -2.65 -0.19 0.95 -1.46 0.00 0.00 175.22 172.50 1cfe s THR 63 N -1.67 1.60 0.27 0.12 -4.23 -1.26 -5.00 115.64 105.46 1cfe s THR 63 Ca 0.78 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1cfe s THR 63 Cb -0.33 -1.38 0.25 0.00 1.34 0.00 0.00 72.50 72.39 1cfe s THR 63 CO 0.40 0.46 1.81 1.23 -0.54 0.00 0.00 174.62 177.98 1cfe h GLY 64 N 6.44 1.48 0.98 3.99 0.00 -1.69 0.16 103.07 114.43 1cfe h GLY 64 Ca -0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1cfe h GLY 64 CO 0.47 0.11 -0.15 -0.09 0.00 0.00 0.00 176.54 176.88 1cfe h ARG 65 N 0.86 -0.40 -0.04 4.80 2.43 -1.04 0.77 114.38 121.76 1cfe h ARG 65 Ca 0.46 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.64 1cfe h ARG 65 Cb 0.49 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1cfe h ARG 65 CO -0.28 -0.26 -0.07 0.00 -1.51 0.00 0.00 179.97 177.84 1cfe h ALA 66 N 0.29 1.81 0.02 2.80 0.00 -1.74 -1.15 119.26 121.30 1cfe h ALA 66 Ca -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cfe h ALA 66 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1cfe h ALA 66 CO 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.45 1cfe h ALA 67 N 1.87 -0.03 -0.66 0.00 0.00 0.61 0.26 119.26 121.32 1cfe h ALA 67 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1cfe h ALA 67 Cb 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1cfe h ALA 67 CO 0.01 -0.48 0.40 0.28 0.00 0.00 0.00 179.25 179.46 1cfe h VAL 68 N -0.10 1.06 -0.33 0.00 2.07 -0.43 -0.85 116.25 117.67 1cfe h VAL 68 Ca -0.00 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1cfe h VAL 68 Cb 0.09 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1cfe h VAL 68 CO 0.00 0.14 0.23 1.56 0.02 0.00 0.00 177.57 179.53 1cfe h GLN 69 N 0.78 0.15 -0.49 1.57 4.20 -0.73 0.17 115.11 120.75 1cfe h GLN 69 Ca 0.27 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.90 1cfe h GLN 69 Cb 0.05 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1cfe h GLN 69 CO -0.12 0.10 0.04 1.25 -0.67 0.00 0.00 178.83 179.43 1cfe h LEU 70 N 0.16 0.76 -0.23 1.46 5.85 0.96 0.29 115.31 124.56 1cfe h LEU 70 Ca 0.15 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1cfe h LEU 70 Cb 0.41 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1cfe h LEU 70 CO -0.02 0.80 -0.25 -0.50 -0.34 0.00 0.00 178.44 178.13 1cfe h TRP 71 N 0.75 0.69 0.00 1.25 6.55 -0.39 -3.15 115.95 121.65 1cfe h TRP 71 Ca 0.15 -0.21 -0.04 0.00 0.95 0.00 0.00 58.89 59.74 1cfe h TRP 71 Cb 0.40 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 28.55 1cfe h TRP 71 CO 0.02 0.92 -0.19 0.28 -1.05 0.00 0.00 178.44 178.42 1cfe h VAL 72 N 0.27 0.47 0.00 1.49 2.07 -0.52 -2.91 116.25 117.12 1cfe h VAL 72 Ca 0.03 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1cfe h VAL 72 Cb 0.81 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1cfe h VAL 72 CO 0.06 0.19 0.00 -1.54 0.02 0.00 0.00 177.57 176.30 1cfe n SER 73 N -3.34 0.50 0.00 0.57 3.41 0.98 0.15 113.62 115.89 1cfe n SER 73 Ca 0.00 0.73 0.03 0.00 -0.26 0.00 0.00 58.87 59.37 1cfe n SER 73 Cb 0.42 -0.79 0.19 0.00 -0.26 0.00 0.00 64.21 63.77 1cfe n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cfe n GLU 74 N -2.16 0.31 -0.28 4.33 -0.58 -1.25 -4.38 120.64 116.63 1cfe n GLU 74 Ca -0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 1cfe n GLU 74 Cb 0.04 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 -0.82 -0.22 -0.31 3.49 0.63 0.12 -0.22 116.66 119.33 1cfe n ARG 75 Ca 0.05 1.06 0.11 0.00 -0.92 0.00 0.00 57.85 58.16 1cfe n ARG 75 Cb 0.02 -1.57 0.34 0.00 0.45 0.00 0.00 32.46 31.69 1cfe n ARG 75 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1cfe h PRO 76 N 0.00 0.75 0.00 -0.14 0.13 -1.87 0.45 132.00 131.31 1cfe h PRO 76 Ca 0.19 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1cfe h PRO 76 Cb 0.36 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1cfe h PRO 76 CO -0.68 0.50 -0.33 0.66 -0.23 0.00 0.00 178.00 177.92 1cfe h SER 77 N 0.77 0.00 -3.36 1.44 4.64 -0.94 -3.45 113.55 112.66 1cfe h SER 77 Ca 0.49 -0.08 -0.56 0.00 -0.47 0.00 0.00 61.79 61.18 1cfe h SER 77 Cb 0.73 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 1cfe h SER 77 CO -0.26 0.04 0.27 -0.47 -0.87 0.00 0.00 176.83 175.55 1cfe s TYR 78 N -3.17 3.56 0.09 4.77 5.04 0.31 0.44 117.35 128.39 1cfe s TYR 78 Ca 0.07 1.41 -0.20 0.00 -2.44 0.00 0.00 57.07 55.92 1cfe s TYR 78 Cb 0.11 -2.97 0.05 0.00 0.35 0.00 0.00 41.96 39.50 1cfe s TYR 78 CO 0.67 -0.04 0.49 1.21 -1.34 0.00 0.00 175.55 176.54 1cfe s ASN 79 N 0.96 -0.38 0.00 4.32 2.47 -1.26 -4.84 114.94 116.21 1cfe s ASN 79 Ca 0.43 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.68 1cfe s ASN 79 Cb -0.19 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.11 1cfe s ASN 79 CO 0.20 -0.80 0.00 0.00 -3.72 0.00 0.00 177.10 172.78 1cfe n TYR 80 N 0.07 0.00 0.00 0.43 4.19 -1.26 -3.91 117.16 116.68 1cfe n TYR 80 Ca -0.17 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.04 1cfe n TYR 80 Cb 0.62 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.45 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1cfe n ALA 81 N -3.00 0.00 -0.04 2.98 0.00 -1.26 -3.66 120.51 115.53 1cfe n ALA 81 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1cfe n ALA 81 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1cfe n ALA 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cfe n THR 82 N 0.00 1.66 -2.44 0.00 -2.24 -1.26 -4.99 114.28 105.01 1cfe n THR 82 Ca 0.00 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 60.98 1cfe n THR 82 Cb 0.00 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 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 -3.34 -4.45 -1.16 3.42 2.85 -1.24 -4.88 115.26 106.46 1cfe n ASN 83 Ca -0.34 -0.07 -0.01 0.00 -0.11 0.00 0.00 54.58 54.04 1cfe n ASN 83 Cb 1.04 -3.51 -0.02 0.00 1.24 0.00 0.00 39.78 38.53 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 -2.56 0.00 0.00 1.20 6.02 -1.26 -4.86 117.38 115.91 1cfe n GLN 84 Ca -0.14 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 1cfe n GLN 84 Cb 0.61 0.17 0.00 0.00 1.02 0.00 0.00 30.24 32.04 1cfe n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cfe s VAL 86 N 0.00 1.87 0.00 0.00 1.01 0.17 -4.70 120.40 118.75 1cfe s VAL 86 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1cfe s VAL 86 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1cfe s VAL 86 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1cfe n GLY 87 N 2.91 0.57 0.00 4.51 0.00 -1.26 -3.20 105.19 108.72 1cfe n GLY 87 Ca -0.17 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 3.74 -0.02 0.00 -1.26 -5.16 105.19 102.48 1cfe n GLY 88 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -0.62 -0.68 1.61 1.02 -1.20 -4.90 119.74 114.97 1cfe s LYS 89 Ca 0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 1cfe s LYS 89 Cb 0.00 -1.69 -0.10 0.00 -0.52 0.00 0.00 37.83 35.52 1cfe s LYS 89 CO 0.00 -3.27 3.12 1.63 -0.92 0.00 0.00 175.35 175.91 1cfe n LYS 90 N -4.40 2.87 -0.86 1.68 4.76 -1.26 -4.72 118.16 116.23 1cfe n LYS 90 Ca 0.15 -1.92 -0.17 0.00 -2.87 0.00 0.00 58.31 53.50 1cfe n LYS 90 Cb 0.60 -2.32 0.11 0.00 -1.84 0.00 0.00 35.03 31.58 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cfe h ARG 92 N 0.84 0.79 -0.09 0.00 9.65 -1.94 -3.12 114.38 120.52 1cfe h ARG 92 Ca 0.42 -0.65 -0.22 0.00 -1.10 0.00 0.00 59.98 58.43 1cfe h ARG 92 Cb 1.99 0.14 0.01 0.00 -1.39 0.00 0.00 29.97 30.71 1cfe h ARG 92 CO 0.79 1.26 -0.82 0.45 2.80 0.00 0.00 179.97 184.45 1cfe h HIS 93 N 0.54 0.83 0.06 2.20 3.86 -1.83 -2.94 115.15 117.87 1cfe h HIS 93 Ca -0.05 -0.39 0.01 0.00 -1.16 0.00 0.00 60.37 58.78 1cfe h HIS 93 Cb 1.41 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.74 1cfe h HIS 93 CO 0.09 1.19 -0.14 -0.92 0.86 0.00 0.00 177.93 179.02 1cfe h TYR 94 N 0.39 -0.35 -0.96 2.45 5.03 -1.58 -1.56 116.97 120.38 1cfe h TYR 94 Ca -0.06 0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.36 1cfe h TYR 94 Cb 1.44 0.15 -0.08 0.00 1.55 0.00 0.00 36.73 39.78 1cfe h TYR 94 CO 0.07 -0.20 0.60 1.79 -1.32 0.00 0.00 178.16 179.09 1cfe h THR 95 N -0.26 0.94 -0.48 1.81 1.35 -1.48 0.18 112.91 114.97 1cfe h THR 95 Ca 0.03 -0.34 -0.05 0.00 -0.55 0.00 0.00 66.41 65.50 1cfe h THR 95 Cb 0.29 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.56 1cfe h THR 95 CO -0.09 0.18 0.08 -0.61 -0.25 0.00 0.00 175.52 174.83 1cfe h GLN 96 N 0.98 0.75 -0.76 4.72 5.75 -1.29 0.23 115.11 125.49 1cfe h GLN 96 Ca 0.46 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 1cfe h GLN 96 Cb 0.41 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 1cfe h GLN 96 CO -0.25 0.71 0.43 0.28 -2.65 0.00 0.00 178.83 177.36 1cfe h VAL 97 N 0.72 1.22 0.00 2.39 2.07 0.29 -3.18 116.25 119.77 1cfe h VAL 97 Ca 0.16 -0.54 -0.19 0.00 0.82 0.00 0.00 66.70 66.95 1cfe h VAL 97 Cb 0.33 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1cfe h VAL 97 CO 0.00 0.24 -1.08 1.62 0.02 0.00 0.00 177.57 178.38 1cfe h VAL 98 N 1.05 1.13 0.00 2.57 3.04 -0.54 -3.45 116.25 120.05 1cfe h VAL 98 Ca 0.27 -2.74 -0.31 0.00 -1.01 0.00 0.00 66.70 62.91 1cfe h VAL 98 Cb 0.01 2.52 -0.08 0.00 -2.01 0.00 0.00 31.29 31.73 1cfe h VAL 98 CO -0.05 0.64 1.37 1.87 -1.01 0.00 0.00 177.57 180.40 1cfe n TRP 99 N -3.18 0.19 -0.24 3.17 -0.00 0.77 -4.79 117.44 113.36 1cfe n TRP 99 Ca -0.04 0.13 0.03 0.00 -0.00 0.00 0.00 57.50 57.61 1cfe n TRP 99 Cb 0.89 -1.00 0.12 0.00 -0.00 0.00 0.00 31.31 31.32 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 8.26 0.06 -2.00 5.87 2.43 -0.92 -1.07 114.38 127.01 1cfe h ARG 100 Ca -0.00 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 1cfe h ARG 100 Cb 0.87 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.33 1cfe h ARG 100 CO 1.09 0.04 -0.28 -1.71 -1.51 0.00 0.00 179.97 177.61 1cfe n ASN 101 N -5.37 5.42 -3.67 -3.80 5.15 -1.26 -4.59 115.26 107.12 1cfe n ASN 101 Ca 0.11 -2.58 -0.10 0.00 -0.60 0.00 0.00 54.58 51.40 1cfe n ASN 101 Cb 0.41 -1.39 -0.11 0.00 -0.53 0.00 0.00 39.78 38.16 1cfe n ASN 101 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1cfe s SER 102 N 1.77 -0.21 0.00 1.20 0.15 -0.41 -4.31 113.70 111.89 1cfe s SER 102 Ca 0.65 0.85 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1cfe s SER 102 Cb 0.33 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1cfe s SER 102 CO -0.03 -0.22 0.49 1.33 1.20 0.00 0.00 173.24 176.01 1cfe n VAL 103 N 4.97 0.00 -4.21 4.45 0.24 -0.73 -4.79 118.33 118.26 1cfe n VAL 103 Ca -0.14 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.39 1cfe n VAL 103 Cb 0.51 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.02 2.36 -0.22 7.34 3.00 -1.02 -0.97 118.95 129.42 1cfe s ARG 104 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 55.73 54.47 1cfe s ARG 104 Cb 0.00 -2.35 0.06 0.00 0.00 0.00 0.00 34.95 32.66 1cfe s ARG 104 CO 0.00 0.46 0.57 -1.17 0.00 0.00 0.00 175.30 175.16 1cfe s LEU 105 N -2.83 -0.37 -0.21 2.53 2.96 -1.13 -3.50 118.68 116.14 1cfe s LEU 105 Ca 0.27 1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 55.23 1cfe s LEU 105 Cb -0.10 1.94 0.06 0.00 0.50 0.00 0.00 46.19 48.60 1cfe s LEU 105 CO 0.18 -0.21 0.52 -0.83 -1.32 0.00 0.00 176.35 174.69 1cfe s GLY 106 N 0.88 -0.43 0.26 7.98 0.00 -0.71 -1.79 107.32 113.51 1cfe s GLY 106 Ca -0.05 1.76 0.09 0.00 0.00 0.00 0.00 44.72 46.53 1cfe s GLY 106 CO -0.07 1.77 -0.01 0.00 0.00 0.00 0.00 173.10 174.79 1cfe s GLY 108 N -3.59 2.52 -0.36 0.00 0.00 -0.00 -4.58 107.32 101.30 1cfe s GLY 108 Ca 0.31 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1cfe s GLY 108 CO 0.20 -1.84 0.78 -1.60 0.00 0.00 0.00 173.10 170.64 1cfe s ARG 109 N -3.76 0.55 -0.06 2.90 3.00 -1.25 -2.66 118.95 117.67 1cfe s ARG 109 Ca 0.25 -0.08 0.06 0.00 -1.00 0.00 0.00 55.73 54.96 1cfe s ARG 109 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 34.95 35.06 1cfe s ARG 109 CO 0.14 -0.83 -0.23 0.00 0.00 0.00 0.00 175.30 174.38 1cfe s ALA 110 N 2.08 2.25 -0.44 6.12 0.00 -0.31 -4.93 121.76 126.52 1cfe s ALA 110 Ca 0.16 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 1cfe s ALA 110 Cb -0.02 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1cfe s ALA 110 CO -0.13 0.43 0.97 0.50 0.00 0.00 0.00 175.76 177.53 1cfe s ARG 111 N -0.22 3.65 0.43 0.00 3.52 -1.26 -0.29 118.95 124.78 1cfe s ARG 111 Ca -0.01 0.35 0.08 0.00 -0.13 0.00 0.00 55.73 56.02 1cfe s ARG 111 Cb -0.13 -3.89 -0.01 0.00 -1.56 0.00 0.00 34.95 29.35 1cfe s ARG 111 CO 0.03 -1.18 0.40 0.00 -0.81 0.00 0.00 175.30 173.74 1cfe n ASN 113 N -1.59 0.00 -0.57 0.00 6.94 -1.26 -1.32 115.26 117.46 1cfe n ASN 113 Ca 0.04 0.92 0.09 0.00 -0.02 0.00 0.00 54.58 55.61 1cfe n ASN 113 Cb 0.62 -0.42 0.03 0.00 -2.36 0.00 0.00 39.78 37.66 1cfe n ASN 113 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1cfe n ASN 114 N -1.94 2.14 0.10 0.53 6.94 -1.26 -3.37 115.26 118.39 1cfe n ASN 114 Ca 0.00 -1.57 0.12 0.00 -0.02 0.00 0.00 54.58 53.11 1cfe n ASN 114 Cb 0.00 0.26 0.45 0.00 -2.36 0.00 0.00 39.78 38.13 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 1.17 -1.43 7.00 4.83 0.00 -1.25 -4.37 105.19 111.13 1cfe n GLY 115 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1cfe n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cfe n TRP 116 N -2.10 0.00 -2.69 1.61 8.01 -0.43 -2.21 117.44 119.63 1cfe n TRP 116 Ca 0.04 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.81 1cfe n TRP 116 Cb 0.31 0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.59 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 2.54 -0.66 -5.99 0.52 -0.15 -0.28 118.94 114.92 1cfe s TRP 117 Ca 0.00 -0.51 -0.25 0.00 0.02 0.00 0.00 56.10 55.36 1cfe s TRP 117 Cb 0.00 -4.50 0.04 0.00 -1.15 0.00 0.00 33.47 27.86 1cfe s TRP 117 CO 0.00 -1.86 1.12 0.12 0.02 0.00 0.00 176.95 176.35 1cfe s PHE 118 N 4.74 2.53 -0.13 -1.98 5.36 0.60 -3.78 117.98 125.33 1cfe s PHE 118 Ca 0.33 -0.12 -0.07 0.00 -0.96 0.00 0.00 56.93 56.11 1cfe s PHE 118 Cb -0.09 -4.42 -0.04 0.00 -0.34 0.00 0.00 43.02 38.13 1cfe s PHE 118 CO 0.06 -1.76 0.13 0.42 -1.46 0.00 0.00 175.22 172.61 1cfe s ILE 119 N 4.83 5.45 -0.01 3.12 1.01 -0.28 -1.17 121.20 134.16 1cfe s ILE 119 Ca 0.32 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.17 1cfe s ILE 119 Cb -0.11 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1cfe s ILE 119 CO 0.16 0.58 -0.04 -0.44 0.00 0.00 0.00 174.94 175.20 1cfe s SER 120 N -0.76 0.60 -0.12 3.58 0.01 -1.09 -0.03 113.70 115.91 1cfe s SER 120 Ca 0.14 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.30 1cfe s SER 120 Cb -0.12 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1cfe s SER 120 CO 0.03 0.03 -0.09 0.00 0.41 0.00 0.00 173.24 173.62 1cfe s ASN 122 N 0.01 6.56 0.10 0.00 -0.87 0.07 -1.72 114.94 119.08 1cfe s ASN 122 Ca -0.02 0.71 0.05 0.00 -1.57 0.00 0.00 52.86 52.04 1cfe s ASN 122 Cb -0.14 -2.14 -0.03 0.00 -0.02 0.00 0.00 41.25 38.91 1cfe s ASN 122 CO 0.03 0.06 -0.13 -0.31 -2.57 0.00 0.00 177.10 174.18 1cfe s TYR 123 N -1.61 1.29 -0.09 2.20 1.51 -0.02 -1.74 117.35 118.90 1cfe s TYR 123 Ca 0.40 -0.54 -0.05 0.00 -1.01 0.00 0.00 57.07 55.86 1cfe s TYR 123 Cb -0.12 -0.69 0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1cfe s TYR 123 CO 0.22 0.09 0.21 0.34 -1.11 0.00 0.00 175.55 175.30 1cfe s ASP 124 N -2.23 -0.21 1.07 2.29 -1.08 -1.23 -4.50 116.67 110.79 1cfe s ASP 124 Ca 0.05 0.43 -0.05 0.00 -0.52 0.00 0.00 52.55 52.46 1cfe s ASP 124 Cb -0.06 0.35 0.08 0.00 -1.46 0.00 0.00 42.92 41.83 1cfe s ASP 124 CO 0.02 -0.13 0.24 -0.81 0.52 0.00 0.00 175.17 175.01 1cfe n PRO 125 N 3.80 -1.86 -1.49 4.34 -0.04 -1.26 -1.77 135.00 136.72 1cfe n PRO 125 Ca -0.21 -0.39 -0.40 0.00 -0.04 0.00 0.00 63.50 62.46 1cfe n PRO 125 Cb 0.55 -0.40 0.02 0.00 -0.04 0.00 0.00 33.50 33.63 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 -3.24 2.11 -4.07 0.52 0.24 -1.26 -4.62 118.33 108.01 1cfe n VAL 126 Ca 0.03 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 1cfe n VAL 126 Cb 0.14 -0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 31.67 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 -1.00 0.40 -1.03 7.63 0.00 -1.26 -4.68 107.32 107.38 1cfe s GLY 127 Ca 0.65 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.76 1cfe s GLY 127 CO 0.56 -0.63 0.25 0.70 0.00 0.00 0.00 173.10 173.99 1cfe n ASN 128 N 1.88 -4.33 -4.84 1.64 3.02 -1.26 -0.46 115.26 110.90 1cfe n ASN 128 Ca -0.20 -0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 53.85 1cfe n ASN 128 Cb 0.56 -3.31 -0.06 0.00 -0.61 0.00 0.00 39.78 36.35 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 -2.84 3.63 0.71 3.10 -0.11 -1.26 -4.12 118.94 118.04 1cfe s TRP 129 Ca 0.13 0.72 -0.11 0.00 1.22 0.00 0.00 56.10 58.06 1cfe s TRP 129 Cb -0.06 -2.13 0.02 0.00 -1.50 0.00 0.00 33.47 29.80 1cfe s TRP 129 CO 0.16 0.64 1.07 -1.50 -4.62 0.00 0.00 176.95 172.69 1cfe s ILE 130 N -0.86 3.88 -0.81 5.86 2.07 -1.26 -4.36 121.20 125.72 1cfe s ILE 130 Ca 0.18 0.62 -0.02 0.00 -1.41 0.00 0.00 60.65 60.02 1cfe s ILE 130 Cb -0.14 -3.30 -0.02 0.00 0.13 0.00 0.00 42.46 39.12 1cfe s ILE 130 CO 0.08 -0.79 0.69 0.61 -1.91 0.00 0.00 174.94 173.62 1cfe n GLY 131 N -1.80 -0.35 3.38 1.50 0.00 -1.26 -5.05 105.19 101.60 1cfe n GLY 131 Ca 0.08 0.14 -0.14 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 -4.50 1.02 -0.33 1.61 0.74 -1.26 -5.13 119.66 111.81 1cfe s GLN 132 Ca 0.16 -0.24 -0.27 0.00 0.05 0.00 0.00 55.36 55.06 1cfe s GLN 132 Cb -0.02 0.46 0.01 0.00 1.10 0.00 0.00 33.01 34.56 1cfe s GLN 132 CO 0.53 -0.36 0.98 1.03 -0.55 0.00 0.00 175.29 176.91 1cfe s ARG 133 N -2.41 4.00 0.28 1.67 1.81 -1.26 -4.93 118.95 118.11 1cfe s ARG 133 Ca -0.05 0.86 0.14 0.00 -1.72 0.00 0.00 55.73 54.95 1cfe s ARG 133 Cb -0.01 -3.75 0.31 0.00 -0.45 0.00 0.00 34.95 31.05 1cfe s ARG 133 CO -0.01 -0.86 1.56 -1.00 -0.68 0.00 0.00 175.30 174.31 1cfe h PRO 134 N 8.17 0.00 0.00 3.54 0.13 -1.95 -3.39 132.00 138.49 1cfe h PRO 134 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1cfe h PRO 134 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1cfe h PRO 134 CO 0.99 0.59 0.00 2.48 -0.23 0.00 0.00 178.00 181.82