#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc n LYS 2 N 0.00 0.16 -2.75 4.33 2.85 -1.26 -4.67 118.16 116.82 3cxc n LYS 2 Ca 0.00 0.10 -0.42 0.00 -1.05 0.00 0.00 58.31 56.94 3cxc n LYS 2 Cb 0.00 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 32.70 3cxc n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3cxc s GLN 3 N -3.07 4.29 0.17 -1.58 -0.21 -1.26 -4.98 119.66 113.02 3cxc s GLN 3 Ca 0.11 1.24 -0.27 0.00 0.02 0.00 0.00 55.36 56.45 3cxc s GLN 3 Cb 0.15 -3.60 0.01 0.00 1.00 0.00 0.00 33.01 30.57 3cxc s GLN 3 CO 0.61 -0.48 1.55 -1.35 -2.12 0.00 0.00 175.29 173.51 3cxc h PRO 4 N 7.38 -0.11 -0.89 2.91 0.11 -1.99 -1.30 132.00 138.10 3cxc h PRO 4 Ca -0.24 0.01 0.21 0.00 0.11 0.00 0.00 66.00 66.08 3cxc h PRO 4 Cb 1.10 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.11 3cxc h PRO 4 CO 0.91 -0.07 0.41 -0.44 -0.21 0.00 0.00 178.00 178.59 3cxc h ASP 5 N -0.12 0.37 -0.14 -2.05 5.19 -1.99 -0.89 116.42 116.79 3cxc h ASP 5 Ca 0.19 0.15 -0.14 0.00 -0.62 0.00 0.00 57.03 56.60 3cxc h ASP 5 Cb 0.51 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.14 3cxc h ASP 5 CO -0.84 0.03 -0.46 0.11 -3.12 0.00 0.00 179.24 174.97 3cxc h LYS 6 N 0.43 0.55 0.18 3.56 1.57 -1.67 -1.96 116.57 119.24 3cxc h LYS 6 Ca 0.55 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3cxc h LYS 6 Cb 1.02 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 3cxc h LYS 6 CO -0.51 1.03 -0.50 1.96 -0.57 0.00 0.00 179.45 180.86 3cxc h GLN 7 N 0.18 -0.75 -0.75 3.15 1.08 -0.36 -0.16 115.11 117.50 3cxc h GLN 7 Ca -0.02 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 3cxc h GLN 7 Cb 1.08 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 28.63 3cxc h GLN 7 CO 0.10 -0.50 0.46 0.00 -0.95 0.00 0.00 178.83 177.94 3cxc h ARG 8 N -0.78 0.84 0.03 1.46 3.08 -1.30 -2.67 114.38 115.03 3cxc h ARG 8 Ca -0.01 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3cxc h ARG 8 Cb 0.77 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3cxc h ARG 8 CO -0.25 0.55 -0.18 -0.22 -1.07 0.00 0.00 179.97 178.81 3cxc h LYS 9 N 0.86 -0.29 -0.83 0.04 3.64 -0.69 -0.96 116.57 118.33 3cxc h LYS 9 Ca 0.32 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 3cxc h LYS 9 Cb 0.11 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3cxc h LYS 9 CO -0.15 -0.19 0.55 0.66 -2.27 0.00 0.00 179.45 178.04 3cxc h SER 10 N -0.30 0.86 -0.55 4.20 4.64 -0.87 -0.91 113.55 120.62 3cxc h SER 10 Ca 0.05 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 3cxc h SER 10 Cb 0.36 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3cxc h SER 10 CO -0.15 0.57 -0.03 1.56 -0.87 0.00 0.00 176.83 177.91 3cxc h GLN 11 N 0.99 1.00 0.00 4.77 4.20 -1.09 -1.17 115.11 123.80 3cxc h GLN 11 Ca 0.34 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3cxc h GLN 11 Cb 0.11 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3cxc h GLN 11 CO -0.11 1.01 0.00 0.00 -0.67 0.00 0.00 178.83 179.06 3cxc h ARG 12 N 0.88 0.00 -0.10 1.46 3.08 -0.64 -3.28 114.38 115.78 3cxc h ARG 12 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3cxc h ARG 12 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3cxc h ARG 12 CO 0.04 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.48 3cxc n ARG 13 N -2.74 2.61 -2.07 0.04 1.74 -0.40 -5.02 116.66 110.84 3cxc n ARG 13 Ca 0.04 -1.97 -0.42 0.00 -0.77 0.00 0.00 57.85 54.74 3cxc n ARG 13 Cb 0.46 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 3cxc n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cxc s ALA 14 N -1.56 3.65 1.06 7.54 0.00 -0.45 -4.97 121.76 127.04 3cxc s ALA 14 Ca 0.16 1.24 -0.20 0.00 0.00 0.00 0.00 51.96 53.15 3cxc s ALA 14 Cb 0.12 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.68 3cxc s ALA 14 CO 0.05 -0.68 -0.39 -2.30 0.00 0.00 0.00 175.76 172.43 3cxc n PRO 15 N 3.54 -0.96 0.01 0.00 -0.02 -1.26 -4.67 135.00 131.64 3cxc n PRO 15 Ca 0.11 -0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.22 3cxc n PRO 15 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.35 3cxc n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3cxc h LEU 16 N -1.68 -0.25 -1.85 2.45 3.38 -1.96 -2.32 115.31 113.07 3cxc h LEU 16 Ca -0.48 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3cxc h LEU 16 Cb 1.36 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 3cxc h LEU 16 CO 0.33 -0.11 -0.13 1.12 0.09 0.00 0.00 178.44 179.74 3cxc h HIS 17 N -0.09 0.00 -0.03 1.13 2.07 -2.00 -0.64 115.15 115.59 3cxc h HIS 17 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 3cxc h HIS 17 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 3cxc h HIS 17 CO -0.19 0.13 0.00 0.39 -3.07 0.00 0.00 177.93 175.19 3cxc n GLU 18 N -4.07 1.14 0.00 5.12 1.02 -0.89 -3.25 120.64 119.72 3cxc n GLU 18 Ca -0.02 -0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.02 3cxc n GLU 18 Cb 0.21 -1.33 0.09 0.00 -0.02 0.00 0.00 31.44 30.40 3cxc n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cxc n ARG 19 N -0.59 0.55 -0.32 3.49 1.74 -0.25 -4.15 116.66 117.14 3cxc n ARG 19 Ca 0.15 -0.41 -0.05 0.00 -0.77 0.00 0.00 57.85 56.78 3cxc n ARG 19 Cb 0.12 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.15 3cxc n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3cxc h HIS 20 N 1.00 1.24 0.00 -1.55 3.86 -1.67 -1.47 115.15 116.56 3cxc h HIS 20 Ca 0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3cxc h HIS 20 Cb 0.58 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3cxc h HIS 20 CO 0.00 0.89 0.00 1.57 0.86 0.00 0.00 177.93 181.25 3cxc h LYS 21 N 1.22 0.00 0.00 2.45 2.10 -1.83 -0.84 116.57 119.67 3cxc h LYS 21 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 3cxc h LYS 21 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3cxc h LYS 21 CO -0.04 0.00 -0.33 1.96 -2.00 0.00 0.00 179.45 179.04 3cxc h GLN 22 N 0.00 0.00 -0.76 0.07 4.20 -1.50 -3.30 115.11 113.82 3cxc h GLN 22 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3cxc h GLN 22 Cb 0.18 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.66 3cxc h GLN 22 CO 0.00 0.00 0.03 1.33 -0.67 0.00 0.00 178.83 179.52 3cxc n VAL 23 N -2.50 2.97 -3.50 -0.54 0.24 -0.32 -4.76 118.33 109.92 3cxc n VAL 23 Ca 0.04 -3.30 -0.29 0.00 -2.04 0.00 0.00 64.34 58.75 3cxc n VAL 23 Cb 0.48 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 31.89 3cxc n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3cxc s ARG 24 N -3.58 3.60 0.04 7.34 0.52 -1.24 -2.46 118.95 123.16 3cxc s ARG 24 Ca 0.55 -0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 55.62 3cxc s ARG 24 Cb 0.45 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 3cxc s ARG 24 CO 0.02 0.31 0.01 0.00 0.02 0.00 0.00 175.30 175.66 3cxc s ALA 25 N -1.96 0.17 0.61 2.13 0.00 0.65 -4.18 121.76 119.19 3cxc s ALA 25 Ca 0.42 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 3cxc s ALA 25 Cb -0.11 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3cxc s ALA 25 CO 0.29 -0.28 1.16 -0.08 0.00 0.00 0.00 175.76 176.85 3cxc s THR 26 N -2.61 2.88 -0.03 0.00 -1.32 -1.25 -0.40 115.64 112.90 3cxc s THR 26 Ca -0.05 0.50 -0.03 0.00 -1.21 0.00 0.00 61.69 60.89 3cxc s THR 26 Cb -0.01 -3.12 -0.04 0.00 -1.51 0.00 0.00 72.50 67.82 3cxc s THR 26 CO -0.05 -0.17 0.15 -0.76 -2.21 0.00 0.00 174.62 171.59 3cxc s LEU 27 N -4.33 4.29 1.14 9.08 1.43 0.62 -1.49 118.68 129.41 3cxc s LEU 27 Ca 0.73 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.99 3cxc s LEU 27 Cb -0.26 -2.44 0.13 0.00 0.03 0.00 0.00 46.19 43.65 3cxc s LEU 27 CO 0.35 0.30 0.10 -1.54 0.23 0.00 0.00 176.35 175.79 3cxc n SER 28 N 1.21 -2.33 -0.21 2.29 3.41 -0.71 -4.53 113.62 112.74 3cxc n SER 28 Ca -0.13 -0.15 -0.07 0.00 -0.26 0.00 0.00 58.87 58.26 3cxc n SER 28 Cb 0.53 -0.98 0.03 0.00 -0.26 0.00 0.00 64.21 63.53 3cxc n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cxc h ALA 29 N -2.17 0.77 0.35 7.33 0.00 -1.98 -1.67 119.26 121.88 3cxc h ALA 29 Ca -0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3cxc h ALA 29 Cb 1.36 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3cxc h ALA 29 CO 0.40 0.32 -0.17 -0.44 0.00 0.00 0.00 179.25 179.36 3cxc h ASP 30 N 0.82 -0.40 -0.77 0.00 3.32 -1.99 -2.58 116.42 114.83 3cxc h ASP 30 Ca 0.21 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.29 3cxc h ASP 30 Cb 0.10 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 3cxc h ASP 30 CO -0.03 -0.25 0.47 -0.07 -1.72 0.00 0.00 179.24 177.64 3cxc h LEU 31 N -0.52 0.74 -0.71 1.55 3.38 -1.88 0.13 115.31 118.02 3cxc h LEU 31 Ca -0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3cxc h LEU 31 Cb 0.39 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3cxc h LEU 31 CO 0.08 0.49 0.41 0.03 0.09 0.00 0.00 178.44 179.54 3cxc h ARG 32 N 0.88 0.73 0.10 1.13 3.08 -1.24 -0.49 114.38 118.57 3cxc h ARG 32 Ca 0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3cxc h ARG 32 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3cxc h ARG 32 CO -0.15 0.48 -0.09 1.49 -1.07 0.00 0.00 179.97 180.63 3cxc h GLU 33 N 0.75 -0.20 -1.00 0.04 4.57 -0.84 0.31 114.58 118.21 3cxc h GLU 33 Ca 0.31 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.53 3cxc h GLU 33 Cb 0.17 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 3cxc h GLU 33 CO -0.17 -0.13 0.66 1.49 -1.18 0.00 0.00 179.01 179.67 3cxc h GLU 34 N -0.21 1.27 -0.05 1.92 4.81 -0.08 -3.28 114.58 118.97 3cxc h GLU 34 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3cxc h GLU 34 Cb 0.20 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3cxc h GLU 34 CO -0.02 0.84 0.00 0.66 -0.73 0.00 0.00 179.01 179.76 3cxc n TYR 35 N -4.42 0.05 -3.53 0.92 4.02 -0.28 -5.02 117.16 108.90 3cxc n TYR 35 Ca 0.13 -0.11 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 3cxc n TYR 35 Cb 0.06 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.45 3cxc n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cxc n GLY 36 N 0.26 -0.48 2.97 2.72 0.00 0.11 -4.83 105.19 105.94 3cxc n GLY 36 Ca 0.04 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 3cxc n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cxc s GLN 37 N -6.00 0.20 0.07 1.61 -0.21 -1.22 -5.06 119.66 109.06 3cxc s GLN 37 Ca 0.39 -0.21 -0.00 0.00 0.02 0.00 0.00 55.36 55.56 3cxc s GLN 37 Cb -0.17 0.08 -0.26 0.00 1.00 0.00 0.00 33.01 33.66 3cxc s GLN 37 CO 0.72 -0.04 1.12 -0.09 -2.12 0.00 0.00 175.29 174.89 3cxc h ARG 38 N 5.36 0.18 -4.67 2.91 2.43 -1.95 -3.38 114.38 115.26 3cxc h ARG 38 Ca -0.28 -0.31 -0.38 0.00 -0.81 0.00 0.00 59.98 58.20 3cxc h ARG 38 Cb 1.21 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.75 3cxc h ARG 38 CO 0.45 1.11 -0.45 0.54 -1.51 0.00 0.00 179.97 180.11 3cxc s ASN 39 N -6.96 1.20 0.19 -3.80 4.22 -1.26 -0.28 114.94 108.26 3cxc s ASN 39 Ca -0.03 -1.62 -0.12 0.00 -2.14 0.00 0.00 52.86 48.94 3cxc s ASN 39 Cb 0.08 0.54 0.00 0.00 1.28 0.00 0.00 41.25 43.15 3cxc s ASN 39 CO 0.86 -1.06 0.40 0.54 -2.04 0.00 0.00 177.10 175.80 3cxc s VAL 40 N -3.53 0.04 -0.93 3.54 0.11 0.46 -4.81 120.40 115.28 3cxc s VAL 40 Ca 0.38 -1.21 -0.21 0.00 -2.93 0.00 0.00 61.98 58.01 3cxc s VAL 40 Cb 0.03 -1.85 0.09 0.00 -1.53 0.00 0.00 36.38 33.12 3cxc s VAL 40 CO 0.23 -0.17 1.24 -0.60 -3.33 0.00 0.00 175.10 172.47 3cxc s ARG 41 N -3.95 3.52 0.02 1.54 3.52 -1.19 -0.25 118.95 122.16 3cxc s ARG 41 Ca 0.16 -1.34 -0.29 0.00 -0.13 0.00 0.00 55.73 54.14 3cxc s ARG 41 Cb 0.01 -4.98 -0.15 0.00 -1.56 0.00 0.00 34.95 28.28 3cxc s ARG 41 CO 0.01 -1.97 0.75 0.28 -0.81 0.00 0.00 175.30 173.56 3cxc n VAL 42 N 6.12 0.19 -4.38 7.11 0.31 -1.03 -4.95 118.33 121.70 3cxc n VAL 42 Ca 0.23 -0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.25 3cxc n VAL 42 Cb 0.49 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.32 3cxc n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3cxc s ASN 43 N -0.09 3.75 0.00 4.52 0.01 -1.26 -4.96 114.94 116.90 3cxc s ASN 43 Ca 0.65 -0.79 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 3cxc s ASN 43 Cb -0.92 -0.43 0.04 0.00 0.41 0.00 0.00 41.25 40.35 3cxc s ASN 43 CO 0.42 0.10 0.22 0.00 -1.51 0.00 0.00 177.10 176.33 3cxc n ALA 44 N 0.03 1.58 -0.05 0.60 0.00 -1.26 -1.73 120.51 119.68 3cxc n ALA 44 Ca -0.11 -0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 3cxc n ALA 44 Cb 0.56 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 3cxc n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxc n GLY 45 N -0.53 -0.22 3.27 0.00 0.00 -1.25 -4.54 105.19 101.91 3cxc n GLY 45 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3cxc n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxc n ASP 46 N -2.72 -3.07 -4.53 1.61 8.00 -0.70 -4.57 116.55 110.56 3cxc n ASP 46 Ca -0.19 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.17 3cxc n ASP 46 Cb 0.73 -1.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.71 3cxc n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cxc s THR 47 N -2.25 3.30 0.03 -3.53 2.01 0.19 -1.67 115.64 113.73 3cxc s THR 47 Ca 0.51 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 3cxc s THR 47 Cb -0.16 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 3cxc s THR 47 CO 0.70 0.45 0.14 -0.69 -0.69 0.00 0.00 174.62 174.54 3cxc s VAL 48 N -0.89 0.11 -0.06 3.82 1.01 -0.40 -1.15 120.40 122.84 3cxc s VAL 48 Ca 0.15 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3cxc s VAL 48 Cb -0.11 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3cxc s VAL 48 CO 0.05 -0.50 -0.17 -1.83 0.00 0.00 0.00 175.10 172.64 3cxc s GLU 49 N -2.24 2.64 -0.34 2.72 -1.05 0.14 -1.49 118.70 119.09 3cxc s GLU 49 Ca -0.08 -0.75 -0.28 0.00 -0.15 0.00 0.00 54.97 53.72 3cxc s GLU 49 Cb -0.03 -2.36 0.02 0.00 -0.44 0.00 0.00 34.13 31.31 3cxc s GLU 49 CO -0.03 0.50 1.03 0.08 0.95 0.00 0.00 175.26 177.79 3cxc s VAL 50 N -0.43 4.53 -0.54 1.83 1.01 0.60 -0.98 120.40 126.43 3cxc s VAL 50 Ca 0.05 1.56 0.22 0.00 0.00 0.00 0.00 61.98 63.81 3cxc s VAL 50 Cb -0.12 -4.39 -0.24 0.00 0.00 0.00 0.00 36.38 31.63 3cxc s VAL 50 CO 0.02 -0.50 0.77 0.18 0.00 0.00 0.00 175.10 175.57 3cxc n LEU 51 N 6.85 0.53 0.00 3.92 4.77 -0.34 0.27 117.00 133.01 3cxc n LEU 51 Ca 0.10 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3cxc n LEU 51 Cb 0.47 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3cxc n LEU 51 CO 0.59 0.10 -0.21 0.54 -1.33 0.00 0.00 177.39 177.09 3cxc n ARG 52 N -1.91 0.00 0.00 3.23 5.12 -1.21 -4.81 116.66 117.08 3cxc n ARG 52 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3cxc n ARG 52 Cb 0.45 -0.35 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 3cxc n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cxc n GLY 53 N 2.17 -2.19 0.13 -0.13 0.00 -1.26 -4.55 105.19 99.36 3cxc n GLY 53 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.41 3cxc n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cxc h ASP 54 N 0.00 0.00 -0.66 1.61 3.45 -2.00 -2.93 116.42 115.89 3cxc h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3cxc h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3cxc h ASP 54 CO 0.00 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.16 3cxc n PHE 55 N -2.39 0.88 -1.58 4.55 3.01 -1.26 -5.00 117.46 115.67 3cxc n PHE 55 Ca 0.05 -0.46 -0.45 0.00 1.01 0.00 0.00 57.45 57.61 3cxc n PHE 55 Cb 0.42 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.88 3cxc n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cxc n ALA 56 N 1.58 -0.30 0.00 4.37 0.00 -1.11 -1.82 120.51 123.23 3cxc n ALA 56 Ca 0.23 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3cxc n ALA 56 Cb 0.61 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3cxc n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxc n GLY 57 N 1.24 3.09 3.76 0.00 0.00 0.76 -4.95 105.19 109.08 3cxc n GLY 57 Ca 0.10 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 3cxc n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxc s GLU 58 N 0.00 2.10 0.07 1.61 2.02 -0.76 -4.66 118.70 119.09 3cxc s GLU 58 Ca 0.00 1.22 0.04 0.00 0.02 0.00 0.00 54.97 56.26 3cxc s GLU 58 Cb 0.00 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 3cxc s GLU 58 CO 0.00 -1.77 -0.12 -1.21 0.02 0.00 0.00 175.26 172.18 3cxc s GLU 59 N -4.85 0.77 0.07 1.61 2.02 -1.26 -0.29 118.70 116.76 3cxc s GLU 59 Ca 0.62 -0.95 -0.26 0.00 0.02 0.00 0.00 54.97 54.40 3cxc s GLU 59 Cb -0.18 -0.69 0.09 0.00 0.10 0.00 0.00 34.13 33.45 3cxc s GLU 59 CO 0.56 0.15 1.18 0.20 0.02 0.00 0.00 175.26 177.36 3cxc s GLY 60 N -1.80 -0.06 -0.08 -1.39 0.00 -0.55 -5.00 107.32 98.44 3cxc s GLY 60 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.50 3cxc s GLY 60 CO 0.02 3.69 0.35 1.85 0.00 0.00 0.00 173.10 179.00 3cxc s GLU 61 N -2.15 4.01 -0.54 2.90 2.12 -1.26 -1.27 118.70 122.50 3cxc s GLU 61 Ca 0.25 0.25 -0.27 0.00 0.36 0.00 0.00 54.97 55.56 3cxc s GLU 61 Cb -0.01 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3cxc s GLU 61 CO 0.02 0.50 2.04 0.08 -0.54 0.00 0.00 175.26 177.36 3cxc s VAL 62 N -0.40 3.24 0.16 3.70 1.01 -0.67 -0.90 120.40 126.54 3cxc s VAL 62 Ca 0.21 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.39 3cxc s VAL 62 Cb -0.15 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.47 3cxc s VAL 62 CO 0.09 -0.56 1.36 0.40 0.00 0.00 0.00 175.10 176.39 3cxc h ILE 63 N 7.15 1.57 -2.62 2.22 1.08 0.04 -3.35 117.51 123.61 3cxc h ILE 63 Ca -0.26 -2.89 -0.08 0.00 -0.39 0.00 0.00 64.86 61.24 3cxc h ILE 63 Cb 1.20 2.60 -0.18 0.00 -3.07 0.00 0.00 36.82 37.37 3cxc h ILE 63 CO 1.18 0.83 -0.02 0.21 -0.69 0.00 0.00 178.15 179.66 3cxc s ASN 64 N -6.85 -0.42 -0.20 1.72 2.47 -0.96 -4.94 114.94 105.76 3cxc s ASN 64 Ca -0.01 0.31 -0.04 0.00 0.42 0.00 0.00 52.86 53.54 3cxc s ASN 64 Cb 0.10 0.45 0.06 0.00 -1.45 0.00 0.00 41.25 40.41 3cxc s ASN 64 CO 0.82 -0.60 0.06 -0.69 -3.72 0.00 0.00 177.10 172.97 3cxc s VAL 65 N -1.71 0.28 -0.34 -5.21 1.01 -1.26 -0.58 120.40 112.60 3cxc s VAL 65 Ca -0.10 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3cxc s VAL 65 Cb -0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3cxc s VAL 65 CO 0.04 -0.29 0.46 -0.62 0.00 0.00 0.00 175.10 174.68 3cxc s ASP 66 N 1.96 6.27 0.24 3.32 -1.08 0.79 -4.96 116.67 123.22 3cxc s ASP 66 Ca 0.01 -0.05 0.12 0.00 -0.52 0.00 0.00 52.55 52.12 3cxc s ASP 66 Cb -0.17 -2.24 0.17 0.00 -1.46 0.00 0.00 42.92 39.22 3cxc s ASP 66 CO -0.11 -0.41 1.49 -0.07 0.52 0.00 0.00 175.17 176.59 3cxc h LEU 67 N 8.93 0.00 0.26 -1.34 3.38 -1.94 0.96 115.31 125.57 3cxc h LEU 67 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3cxc h LEU 67 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3cxc h LEU 67 CO 0.74 0.67 -0.12 -0.78 0.09 0.00 0.00 178.44 179.03 3cxc h ASP 68 N 0.00 -0.30 -0.01 -0.43 1.82 -1.95 -3.24 116.42 112.31 3cxc h ASP 68 Ca -0.01 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 3cxc h ASP 68 Cb 1.35 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.43 3cxc h ASP 68 CO 0.09 0.18 0.00 0.29 -1.61 0.00 0.00 179.24 178.19 3cxc n LYS 69 N -5.03 1.32 -3.90 0.28 5.02 -1.25 -4.94 118.16 109.65 3cxc n LYS 69 Ca -0.08 -0.46 -0.32 0.00 -2.02 0.00 0.00 58.31 55.42 3cxc n LYS 69 Cb 0.26 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3cxc n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cxc n ALA 70 N -0.43 -2.33 -2.45 7.82 0.00 0.19 -4.97 120.51 118.34 3cxc n ALA 70 Ca 0.21 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 3cxc n ALA 70 Cb 0.22 -2.66 -0.08 0.00 0.00 0.00 0.00 19.45 16.93 3cxc n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cxc s VAL 71 N -3.73 0.12 0.08 0.00 1.01 -0.36 -4.67 120.40 112.86 3cxc s VAL 71 Ca 0.27 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.80 3cxc s VAL 71 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3cxc s VAL 71 CO 0.90 -0.56 -0.11 0.27 0.00 0.00 0.00 175.10 175.60 3cxc s ILE 72 N -3.94 0.91 -0.26 2.22 -4.36 -0.82 -0.15 121.20 114.80 3cxc s ILE 72 Ca 0.13 -1.41 -0.09 0.00 -0.26 0.00 0.00 60.65 59.02 3cxc s ILE 72 Cb 0.05 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 3cxc s ILE 72 CO -0.05 -0.41 0.12 -1.00 0.24 0.00 0.00 174.94 173.84 3cxc s HIS 73 N -1.82 3.15 -0.09 1.37 3.76 0.25 -1.86 115.29 120.04 3cxc s HIS 73 Ca -0.00 -0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 54.70 3cxc s HIS 73 Cb -0.07 -2.29 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 3cxc s HIS 73 CO 0.01 -0.26 0.00 0.08 -0.85 0.00 0.00 174.74 173.72 3cxc s VAL 74 N 1.63 4.30 0.19 -0.90 1.01 -1.26 0.70 120.40 126.06 3cxc s VAL 74 Ca 0.07 -0.25 -0.32 0.00 0.00 0.00 0.00 61.98 61.47 3cxc s VAL 74 Cb -0.15 -2.81 -0.12 0.00 0.00 0.00 0.00 36.38 33.29 3cxc s VAL 74 CO 0.06 0.60 1.72 1.21 0.00 0.00 0.00 175.10 178.69 3cxc n GLU 75 N 2.26 2.68 -0.97 2.72 2.13 -0.08 -2.23 120.64 127.15 3cxc n GLU 75 Ca -0.18 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.60 3cxc n GLU 75 Cb 0.53 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.44 3cxc n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3cxc n ASP 76 N 4.14 -0.48 -4.37 4.31 8.00 -1.26 -4.52 116.55 122.37 3cxc n ASP 76 Ca 0.17 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.21 3cxc n ASP 76 Cb 0.34 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 3cxc n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3cxc s VAL 77 N -3.51 5.32 0.29 2.53 1.01 -0.95 -4.98 120.40 120.12 3cxc s VAL 77 Ca 0.00 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 59.84 3cxc s VAL 77 Cb 0.00 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 3cxc s VAL 77 CO 0.00 -1.20 0.18 0.35 0.00 0.00 0.00 175.10 174.43 3cxc n THR 78 N 4.47 0.00 -4.24 3.92 -2.24 -1.26 -1.75 114.28 113.18 3cxc n THR 78 Ca 0.18 -1.93 -0.17 0.00 -2.27 0.00 0.00 64.05 59.85 3cxc n THR 78 Cb 0.48 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.42 3cxc n THR 78 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3cxc s LEU 79 N 0.00 2.11 -0.40 3.22 1.43 0.54 -4.66 118.68 120.92 3cxc s LEU 79 Ca 0.25 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 52.77 3cxc s LEU 79 Cb 0.01 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.87 3cxc s LEU 79 CO 0.18 0.00 0.99 -0.70 0.23 0.00 0.00 176.35 177.05 3cxc s GLU 80 N -0.77 3.78 0.77 1.70 2.56 -1.26 -0.84 118.70 124.65 3cxc s GLU 80 Ca -0.01 0.55 -0.11 0.00 0.00 0.00 0.00 54.97 55.40 3cxc s GLU 80 Cb -0.06 -3.84 0.06 0.00 2.00 0.00 0.00 34.13 32.28 3cxc s GLU 80 CO 0.00 -1.09 1.09 0.15 -0.56 0.00 0.00 175.26 174.85 3cxc s LYS 81 N 3.76 2.28 0.15 4.30 1.02 0.18 -4.93 119.74 126.51 3cxc s LYS 81 Ca 0.41 0.64 -0.16 0.00 0.02 0.00 0.00 55.97 56.88 3cxc s LYS 81 Cb -0.11 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.28 3cxc s LYS 81 CO 0.23 -1.48 1.80 1.15 -0.92 0.00 0.00 175.35 176.12 3cxc h THR 82 N -0.99 1.12 0.00 2.17 2.02 -1.97 -1.17 112.91 114.09 3cxc h THR 82 Ca -0.46 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3cxc h THR 82 Cb 1.26 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3cxc h THR 82 CO 0.60 0.12 0.00 -0.90 0.37 0.00 0.00 175.52 175.71 3cxc n ASP 83 N -4.77 0.00 0.00 4.18 5.68 -1.26 -4.82 116.55 115.56 3cxc n ASP 83 Ca 0.01 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 3cxc n ASP 83 Cb 0.04 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3cxc n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cxc n GLY 84 N -0.33 2.81 3.41 6.12 0.00 -0.44 -5.07 105.19 111.69 3cxc n GLY 84 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3cxc n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cxc n GLU 85 N -0.65 -1.19 -4.46 1.61 2.13 -1.26 -4.56 120.64 112.27 3cxc n GLU 85 Ca 0.00 -0.31 -0.28 0.00 0.66 0.00 0.00 57.16 57.23 3cxc n GLU 85 Cb 0.00 -1.92 -0.17 0.00 0.27 0.00 0.00 31.44 29.62 3cxc n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3cxc s GLU 86 N -3.83 2.17 0.21 5.31 2.12 -1.26 -0.64 118.70 122.78 3cxc s GLU 86 Ca 0.60 -0.54 0.10 0.00 0.36 0.00 0.00 54.97 55.48 3cxc s GLU 86 Cb -0.19 -1.85 -0.05 0.00 0.26 0.00 0.00 34.13 32.31 3cxc s GLU 86 CO 0.65 -0.06 -0.19 0.14 -0.54 0.00 0.00 175.26 175.26 3cxc s VAL 87 N 0.98 2.09 0.29 3.70 -7.23 -0.02 -4.91 120.40 115.30 3cxc s VAL 87 Ca -0.07 -2.16 -0.29 0.00 -1.81 0.00 0.00 61.98 57.65 3cxc s VAL 87 Cb -0.15 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 3cxc s VAL 87 CO -0.01 -0.38 1.20 -2.16 -0.31 0.00 0.00 175.10 173.44 3cxc s PRO 88 N -3.19 4.50 -0.50 4.82 0.04 -1.26 0.20 135.00 139.61 3cxc s PRO 88 Ca 0.22 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 3cxc s PRO 88 Cb -0.05 -3.14 0.11 0.00 0.04 0.00 0.00 34.50 31.46 3cxc s PRO 88 CO 0.10 0.01 0.42 0.50 0.04 0.00 0.00 177.00 178.07 3cxc s ARG 89 N -1.48 2.84 0.45 4.56 6.06 -0.72 -4.71 118.95 125.96 3cxc s ARG 89 Ca 0.47 -1.62 -0.21 0.00 -2.50 0.00 0.00 55.73 51.88 3cxc s ARG 89 Cb -0.36 -4.14 -0.13 0.00 0.06 0.00 0.00 34.95 30.39 3cxc s ARG 89 CO 0.46 -1.20 0.37 -2.30 -2.50 0.00 0.00 175.30 170.13 3cxc n PRO 90 N 5.14 0.37 -4.16 5.12 -0.02 -1.26 -4.80 135.00 135.39 3cxc n PRO 90 Ca -0.12 0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.33 3cxc n PRO 90 Cb 0.41 -1.37 -0.12 0.00 -0.02 0.00 0.00 33.50 32.40 3cxc n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3cxc s LEU 91 N 2.50 2.29 -0.07 2.45 1.43 -0.78 -4.96 118.68 121.55 3cxc s LEU 91 Ca 0.63 -0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 3cxc s LEU 91 Cb -0.58 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 3cxc s LEU 91 CO 0.59 -0.11 0.49 -0.62 0.23 0.00 0.00 176.35 176.93 3cxc s ASP 92 N -1.81 6.76 0.58 2.29 -1.08 -1.26 -1.94 116.67 120.20 3cxc s ASP 92 Ca -0.02 0.91 0.28 0.00 -0.52 0.00 0.00 52.55 53.20 3cxc s ASP 92 Cb -0.09 -2.30 1.50 0.00 -1.46 0.00 0.00 42.92 40.58 3cxc s ASP 92 CO 0.02 0.08 1.95 0.71 0.52 0.00 0.00 175.17 178.45 3cxc h THR 93 N 4.43 0.45 0.00 1.71 1.35 -1.83 0.40 112.91 119.42 3cxc h THR 93 Ca -0.44 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3cxc h THR 93 Cb 1.19 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3cxc h THR 93 CO 0.72 0.00 -0.01 -1.28 -0.25 0.00 0.00 175.52 174.70 3cxc h SER 94 N 0.00 0.00 -0.40 5.36 0.87 -1.90 -1.59 113.55 115.89 3cxc h SER 94 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3cxc h SER 94 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3cxc h SER 94 CO -0.00 0.01 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 3cxc n ASN 95 N -3.14 4.49 -4.20 6.23 3.02 0.13 -4.98 115.26 116.81 3cxc n ASN 95 Ca -0.02 -2.87 -0.14 0.00 -0.03 0.00 0.00 54.58 51.52 3cxc n ASN 95 Cb 0.13 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.63 3cxc n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cxc s VAL 96 N -2.59 0.98 -0.07 2.41 1.01 -0.60 -1.19 120.40 120.35 3cxc s VAL 96 Ca 0.46 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.64 3cxc s VAL 96 Cb 0.35 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 35.20 3cxc s VAL 96 CO 0.13 -0.66 -0.09 -0.60 0.00 0.00 0.00 175.10 173.89 3cxc s ARG 97 N -3.22 1.39 -0.10 2.72 3.52 -0.15 -3.80 118.95 119.32 3cxc s ARG 97 Ca 0.10 -0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 3cxc s ARG 97 Cb -0.00 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 3cxc s ARG 97 CO -0.00 -0.06 0.97 0.08 -0.81 0.00 0.00 175.30 175.48 3cxc s VAL 98 N 0.95 4.81 -0.06 7.11 1.01 -0.56 0.24 120.40 133.90 3cxc s VAL 98 Ca -0.10 1.98 0.09 0.00 0.00 0.00 0.00 61.98 63.96 3cxc s VAL 98 Cb -0.15 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 3cxc s VAL 98 CO 0.00 0.03 0.22 0.35 0.00 0.00 0.00 175.10 175.71 3cxc n THR 99 N 4.46 0.00 -3.82 3.92 -2.24 -0.30 -1.73 114.28 114.57 3cxc n THR 99 Ca 0.08 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 3cxc n THR 99 Cb 0.49 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 3cxc n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cxc s ASP 100 N -2.89 -0.14 0.09 3.42 -1.08 -1.14 -4.92 116.67 110.00 3cxc s ASP 100 Ca -0.03 0.27 0.06 0.00 -0.52 0.00 0.00 52.55 52.33 3cxc s ASP 100 Cb 0.06 0.29 -0.04 0.00 -1.46 0.00 0.00 42.92 41.77 3cxc s ASP 100 CO 0.37 -0.07 -0.06 -0.76 0.52 0.00 0.00 175.17 175.18 3cxc s LEU 101 N 0.01 3.20 -0.35 -1.34 1.43 -1.26 -0.63 118.68 119.73 3cxc s LEU 101 Ca -0.01 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3cxc s LEU 101 Cb -0.01 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 3cxc s LEU 101 CO 0.00 0.19 0.22 -0.62 0.23 0.00 0.00 176.35 176.38 3cxc s ASP 102 N -2.14 5.89 -0.32 2.29 -1.08 -1.26 -4.84 116.67 115.21 3cxc s ASP 102 Ca 0.22 -0.61 0.08 0.00 -0.52 0.00 0.00 52.55 51.72 3cxc s ASP 102 Cb -0.11 -2.09 0.48 0.00 -1.46 0.00 0.00 42.92 39.74 3cxc s ASP 102 CO 0.15 -0.28 1.42 0.18 0.52 0.00 0.00 175.17 177.16 3cxc n LEU 103 N 5.07 4.45 0.12 -1.34 4.77 -1.26 -4.70 117.00 124.11 3cxc n LEU 103 Ca -0.13 -4.07 0.09 0.00 -0.03 0.00 0.00 56.01 51.87 3cxc n LEU 103 Cb 0.49 -0.59 0.46 0.00 -2.33 0.00 0.00 43.42 41.45 3cxc n LEU 103 CO 0.37 1.50 0.78 -0.62 -1.33 0.00 0.00 177.39 178.09 3cxc n GLU 104 N -1.02 0.12 -3.32 3.23 1.02 -1.26 -4.51 120.64 114.91 3cxc n GLU 104 Ca 0.37 0.55 -0.39 0.00 -0.02 0.00 0.00 57.16 57.66 3cxc n GLU 104 Cb 0.94 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 3cxc n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3cxc s ASP 105 N -3.87 6.41 0.11 1.62 -1.08 -1.26 -4.95 116.67 113.65 3cxc s ASP 105 Ca -0.00 0.49 -0.22 0.00 -0.52 0.00 0.00 52.55 52.30 3cxc s ASP 105 Cb 0.06 -2.25 -0.09 0.00 -1.46 0.00 0.00 42.92 39.18 3cxc s ASP 105 CO 0.21 -0.19 1.72 -0.33 0.52 0.00 0.00 175.17 177.11 3cxc h GLU 106 N 7.78 -0.00 -0.13 4.34 5.08 -2.00 -2.03 114.58 127.63 3cxc h GLU 106 Ca -0.32 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3cxc h GLU 106 Cb 1.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3cxc h GLU 106 CO 0.70 -0.00 -0.10 0.87 -1.00 0.00 0.00 179.01 179.48 3cxc h LYS 107 N -0.00 -0.10 0.40 2.33 1.57 -1.95 0.13 116.57 118.95 3cxc h LYS 107 Ca 0.05 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3cxc h LYS 107 Cb 0.08 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3cxc h LYS 107 CO -0.10 -0.07 -0.45 -0.09 -0.57 0.00 0.00 179.45 178.17 3cxc h ARG 108 N -0.10 -0.85 -0.92 3.15 2.43 -1.89 -0.72 114.38 115.48 3cxc h ARG 108 Ca 0.08 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.51 3cxc h ARG 108 Cb 0.23 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 3cxc h ARG 108 CO -0.20 -0.56 0.60 1.49 -1.51 0.00 0.00 179.97 179.79 3cxc h GLU 109 N -0.88 0.48 0.02 0.20 4.81 -1.19 0.06 114.58 118.09 3cxc h GLU 109 Ca -0.04 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3cxc h GLU 109 Cb 0.79 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3cxc h GLU 109 CO -0.10 0.32 -0.01 0.00 -0.73 0.00 0.00 179.01 178.49 3cxc h ALA 110 N 1.61 -0.03 0.07 2.92 0.00 0.25 -1.73 119.26 122.36 3cxc h ALA 110 Ca 0.49 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3cxc h ALA 110 Cb 1.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3cxc h ALA 110 CO -0.21 -0.42 -0.03 0.00 0.00 0.00 0.00 179.25 178.58 3cxc h ARG 111 N -0.23 -0.09 -0.72 0.00 3.08 -0.03 -1.08 114.38 115.32 3cxc h ARG 111 Ca -0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.21 3cxc h ARG 111 Cb 0.21 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.15 3cxc h ARG 111 CO 0.00 -0.06 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.67 3cxc h LEU 112 N -0.09 -0.53 0.10 3.04 3.38 -0.93 -2.84 115.31 117.43 3cxc h LEU 112 Ca -0.01 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3cxc h LEU 112 Cb 0.08 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3cxc h LEU 112 CO 0.01 -0.21 -0.05 -0.33 0.09 0.00 0.00 178.44 177.95 3cxc h GLU 113 N 0.04 -0.13 -6.09 1.13 5.08 -1.11 -3.46 114.58 110.04 3cxc h GLU 113 Ca 0.37 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 58.14 3cxc h GLU 113 Cb 0.60 0.03 0.18 0.00 0.50 0.00 0.00 28.75 30.06 3cxc h GLU 113 CO -0.70 0.38 -0.99 -1.13 -1.00 0.00 0.00 179.01 175.58 3cxc n SER 114 N -4.85 -3.09 -0.85 1.42 3.41 -0.43 -4.87 113.62 104.36 3cxc n SER 114 Ca -0.08 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3cxc n SER 114 Cb 0.29 -0.91 0.08 0.00 -0.26 0.00 0.00 64.21 63.40 3cxc n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3cxc n GLU 115 N 1.20 2.07 -0.02 4.33 0.28 -1.26 -4.24 120.64 123.00 3cxc n GLU 115 Ca 0.09 -1.72 0.10 0.00 -0.16 0.00 0.00 57.16 55.47 3cxc n GLU 115 Cb 0.46 -1.46 0.09 0.00 1.43 0.00 0.00 31.44 31.96 3cxc n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3cxc n ASP 116 N 1.04 2.68 -3.78 -1.84 8.00 -1.26 -4.97 116.55 116.42 3cxc n ASP 116 Ca 0.13 -1.82 -0.12 0.00 0.71 0.00 0.00 54.79 53.69 3cxc n ASP 116 Cb 0.57 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 3cxc n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cxc s ASP 117 N -1.57 -0.11 0.14 -2.24 -1.08 -1.26 -5.17 116.67 105.38 3cxc s ASP 117 Ca 0.24 -0.14 0.11 0.00 -0.52 0.00 0.00 52.55 52.24 3cxc s ASP 117 Cb 0.16 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 3cxc s ASP 117 CO 0.24 -0.54 -0.25 -0.94 0.52 0.00 0.00 175.17 174.20 3cxc s SER 118 N -1.81 3.42 0.00 -0.34 1.04 -1.26 -4.67 113.70 110.08 3cxc s SER 118 Ca -0.08 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.64 3cxc s SER 118 Cb -0.03 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.85 3cxc s SER 118 CO -0.01 0.17 0.63 0.00 0.98 0.00 0.00 173.24 175.01