#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxc n GLU 2 N 0.00 1.38 -1.75 -1.09 1.02 -1.26 -4.96 120.64 113.98 1cxc n GLU 2 Ca 0.00 -0.55 -0.29 0.00 -0.02 0.00 0.00 57.16 56.30 1cxc n GLU 2 Cb 0.00 -1.47 0.10 0.00 -0.02 0.00 0.00 31.44 30.05 1cxc n GLU 2 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1cxc s GLY 3 N -1.95 1.59 -0.41 0.62 0.00 -1.26 -5.01 107.32 100.90 1cxc s GLY 3 Ca 0.41 -0.55 -0.13 0.00 0.00 0.00 0.00 44.72 44.45 1cxc s GLY 3 CO 0.34 -0.05 0.29 -0.35 0.00 0.00 0.00 173.10 173.32 1cxc s ASP 4 N -4.32 5.97 0.26 1.64 2.15 -1.26 -4.85 116.67 116.25 1cxc s ASP 4 Ca 0.62 -1.06 -0.03 0.00 0.43 0.00 0.00 52.55 52.52 1cxc s ASP 4 Cb -0.13 -2.11 0.41 0.00 -0.30 0.00 0.00 42.92 40.79 1cxc s ASP 4 CO 0.51 -0.47 1.87 1.55 -0.17 0.00 0.00 175.17 178.46 1cxc h PRO 5 N 8.58 1.08 -0.42 4.34 0.13 -1.84 0.29 132.00 144.16 1cxc h PRO 5 Ca -0.26 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 1cxc h PRO 5 Cb 1.11 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1cxc h PRO 5 CO 0.74 0.72 0.07 0.93 -0.23 0.00 0.00 178.00 180.23 1cxc h GLU 6 N 1.12 0.70 -0.42 0.86 5.08 -1.93 -0.44 114.58 119.54 1cxc h GLU 6 Ca 0.43 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1cxc h GLU 6 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1cxc h GLU 6 CO -0.18 0.73 0.04 0.00 -1.00 0.00 0.00 179.01 178.60 1cxc h ALA 7 N 0.94 1.28 -0.24 3.43 0.00 -1.88 -2.89 119.26 119.90 1cxc h ALA 7 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cxc h ALA 7 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1cxc h ALA 7 CO 0.01 0.49 0.15 0.78 0.00 0.00 0.00 179.25 180.68 1cxc h GLY 8 N 0.90 0.35 0.10 0.00 0.00 -0.74 -1.31 103.07 102.36 1cxc h GLY 8 Ca 0.14 -0.14 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1cxc h GLY 8 CO 0.01 0.14 0.32 0.00 0.00 0.00 0.00 176.54 177.01 1cxc h ALA 9 N 1.06 1.13 -0.32 3.60 0.00 -0.88 -1.07 119.26 122.78 1cxc h ALA 9 Ca 0.09 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1cxc h ALA 9 Cb 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cxc h ALA 9 CO -0.02 -0.22 -0.00 -0.22 0.00 0.00 0.00 179.25 178.79 1cxc h LYS 10 N 0.45 0.57 0.00 0.00 3.64 -1.33 -3.14 116.57 116.76 1cxc h LYS 10 Ca 0.44 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1cxc h LYS 10 Cb 0.69 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1cxc h LYS 10 CO -0.42 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.46 1cxc h ALA 11 N 0.85 1.00 0.00 5.00 0.00 -0.97 -2.70 119.26 122.44 1cxc h ALA 11 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cxc h ALA 11 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1cxc h ALA 11 CO 0.02 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.61 1cxc n PHE 12 N -3.03 0.50 -0.12 0.00 7.35 -0.43 -2.65 117.46 119.08 1cxc n PHE 12 Ca -0.01 0.18 0.03 0.00 -0.76 0.00 0.00 57.45 56.88 1cxc n PHE 12 Cb 0.18 -0.79 0.34 0.00 0.35 0.00 0.00 39.48 39.56 1cxc n PHE 12 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1cxc h ASN 13 N 0.00 0.67 -0.66 -2.13 -0.26 -1.60 -0.95 115.58 110.64 1cxc h ASN 13 Ca 0.00 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.78 1cxc h ASN 13 Cb 0.43 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.48 1cxc h ASN 13 CO 0.00 0.48 0.44 1.56 -1.06 0.00 0.00 177.43 178.84 1cxc h GLN 14 N 0.78 0.70 0.00 0.81 4.20 -1.74 -2.21 115.11 117.65 1cxc h GLN 14 Ca 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1cxc h GLN 14 Cb -0.04 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1cxc h GLN 14 CO -0.05 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 1cxc n GLN 16 N -2.76 0.06 0.29 0.00 6.02 -0.83 -1.09 117.38 119.07 1cxc n GLN 16 Ca 0.02 0.22 0.17 0.00 -0.01 0.00 0.00 57.00 57.41 1cxc n GLN 16 Cb 0.36 -1.50 0.86 0.00 1.02 0.00 0.00 30.24 30.97 1cxc n GLN 16 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1cxc h THR 17 N 0.00 0.20 0.00 5.09 2.02 -1.74 -3.37 112.91 115.11 1cxc h THR 17 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1cxc h THR 17 Cb 0.22 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1cxc h THR 17 CO 0.00 0.04 -0.20 0.00 0.37 0.00 0.00 175.52 175.74 1cxc s HIS 19 N -0.55 2.60 -0.01 0.00 3.76 -0.25 -0.91 115.29 119.92 1cxc s HIS 19 Ca 0.00 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.26 1cxc s HIS 19 Cb 0.00 -1.80 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1cxc s HIS 19 CO 0.00 0.29 0.25 0.54 -0.85 0.00 0.00 174.74 174.96 1cxc s VAL 20 N -2.57 0.06 -0.45 -0.90 0.11 -1.26 -4.24 120.40 111.16 1cxc s VAL 20 Ca 0.39 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1cxc s VAL 20 Cb 0.03 -0.54 0.12 0.00 -1.53 0.00 0.00 36.38 34.46 1cxc s VAL 20 CO 0.22 -0.29 0.19 -0.63 -3.33 0.00 0.00 175.10 171.25 1cxc s ILE 21 N -1.26 2.64 -0.12 7.04 1.01 -0.18 -1.29 121.20 129.03 1cxc s ILE 21 Ca -0.13 -2.78 -0.00 0.00 0.00 0.00 0.00 60.65 57.74 1cxc s ILE 21 Cb -0.06 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1cxc s ILE 21 CO 0.03 -0.72 -0.12 -0.69 0.00 0.00 0.00 174.94 173.45 1cxc s VAL 22 N 0.34 3.20 0.90 2.92 1.01 -1.26 -0.79 120.40 126.72 1cxc s VAL 22 Ca 0.14 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1cxc s VAL 22 Cb -0.22 -2.34 0.20 0.00 0.00 0.00 0.00 36.38 34.01 1cxc s VAL 22 CO -0.04 0.53 1.23 1.51 0.00 0.00 0.00 175.10 178.33 1cxc s ASP 23 N 0.20 3.33 0.00 3.32 1.47 -0.03 -4.66 116.67 120.30 1cxc s ASP 23 Ca -0.07 -0.08 0.12 0.00 1.18 0.00 0.00 52.55 53.70 1cxc s ASP 23 Cb -0.15 0.01 0.71 0.00 -0.34 0.00 0.00 42.92 43.16 1cxc s ASP 23 CO 0.05 -2.56 1.14 0.47 0.68 0.00 0.00 175.17 174.95 1cxc n ASP 24 N -3.50 0.00 -0.58 2.11 8.00 -1.26 -2.15 116.55 119.17 1cxc n ASP 24 Ca 0.17 -0.38 0.06 0.00 0.71 0.00 0.00 54.79 55.35 1cxc n ASP 24 Cb 0.60 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.79 1cxc n ASP 24 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1cxc n SER 25 N -0.99 2.39 0.00 -2.24 3.41 -1.26 -4.94 113.62 109.99 1cxc n SER 25 Ca 0.09 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1cxc n SER 25 Cb 0.04 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1cxc n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cxc n GLY 26 N 0.69 0.76 3.75 5.00 0.00 -0.91 -5.06 105.19 109.40 1cxc n GLY 26 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1cxc n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxc s THR 27 N -2.04 4.85 -0.43 2.61 2.01 -1.26 -4.80 115.64 116.58 1cxc s THR 27 Ca 0.00 1.44 -0.26 0.00 0.31 0.00 0.00 61.69 63.19 1cxc s THR 27 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1cxc s THR 27 CO 0.00 0.37 0.94 -0.89 -0.69 0.00 0.00 174.62 174.35 1cxc s THR 28 N -0.00 4.49 -0.22 -0.82 2.01 -1.26 -0.85 115.64 118.99 1cxc s THR 28 Ca 0.35 0.93 0.22 0.00 0.31 0.00 0.00 61.69 63.50 1cxc s THR 28 Cb -0.19 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 67.89 1cxc s THR 28 CO 0.20 -0.74 1.02 2.30 -0.69 0.00 0.00 174.62 176.70 1cxc n ILE 29 N 6.29 0.70 -3.64 1.82 -6.64 0.03 -4.95 119.36 112.96 1cxc n ILE 29 Ca 0.07 -0.57 -0.05 0.00 -1.77 0.00 0.00 62.75 60.43 1cxc n ILE 29 Cb 0.48 -0.39 -0.07 0.00 -1.44 0.00 0.00 39.64 38.22 1cxc n ILE 29 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1cxc s ALA 30 N -3.31 -2.16 0.00 -1.28 0.00 -1.07 -5.00 121.76 108.95 1cxc s ALA 30 Ca -0.01 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1cxc s ALA 30 Cb 0.09 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1cxc s ALA 30 CO 0.79 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1cxc n GLY 31 N 3.28 1.88 2.09 0.00 0.00 -1.26 -1.01 105.19 110.17 1cxc n GLY 31 Ca -0.17 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.12 1cxc n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1cxc n ARG 32 N -1.85 0.94 -1.60 1.61 0.63 -1.26 -4.96 116.66 110.17 1cxc n ARG 32 Ca 0.00 -2.79 -0.17 0.00 -0.92 0.00 0.00 57.85 53.97 1cxc n ARG 32 Cb 0.00 -0.85 -0.06 0.00 0.45 0.00 0.00 32.46 32.00 1cxc n ARG 32 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1cxc n ASN 33 N -0.08 -5.03 -4.76 6.15 6.94 -1.26 -4.96 115.26 112.26 1cxc n ASN 33 Ca 0.08 0.36 -0.40 0.00 -0.02 0.00 0.00 54.58 54.60 1cxc n ASN 33 Cb 0.97 -4.03 -0.05 0.00 -2.36 0.00 0.00 39.78 34.32 1cxc n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cxc s ALA 34 N -2.65 3.36 -0.09 -2.53 0.00 -1.26 -4.95 121.76 113.64 1cxc s ALA 34 Ca 0.00 0.79 0.13 0.00 0.00 0.00 0.00 51.96 52.88 1cxc s ALA 34 Cb 0.00 -3.28 0.20 0.00 0.00 0.00 0.00 23.12 20.04 1cxc s ALA 34 CO 0.00 -0.03 1.09 1.63 0.00 0.00 0.00 175.76 178.45 1cxc n LYS 35 N 1.21 1.33 -0.02 0.00 4.76 -1.26 -4.37 118.16 119.80 1cxc n LYS 35 Ca -0.01 -2.17 -0.11 0.00 -2.87 0.00 0.00 58.31 53.15 1cxc n LYS 35 Cb 0.46 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 1cxc n LYS 35 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1cxc h THR 36 N 0.97 1.13 -1.26 -0.18 2.02 -1.84 -3.45 112.91 110.31 1cxc h THR 36 Ca 0.00 -0.39 -0.50 0.00 0.77 0.00 0.00 66.41 66.29 1cxc h THR 36 Cb 0.98 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1cxc h THR 36 CO 0.00 0.12 -0.32 -0.83 0.37 0.00 0.00 175.52 174.86 1cxc s GLY 37 N -2.60 2.12 0.82 2.16 0.00 -0.09 -4.97 107.32 104.76 1cxc s GLY 37 Ca -0.14 -1.79 -0.11 0.00 0.00 0.00 0.00 44.72 42.68 1cxc s GLY 37 CO 0.69 -1.72 1.09 2.56 0.00 0.00 0.00 173.10 175.72 1cxc s PRO 38 N -4.24 1.93 0.05 2.90 0.04 -1.26 -4.69 135.00 129.74 1cxc s PRO 38 Ca 0.48 0.83 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 1cxc s PRO 38 Cb -0.04 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1cxc s PRO 38 CO 0.28 -1.78 1.47 1.21 0.04 0.00 0.00 177.00 178.23 1cxc s ASN 39 N -3.64 6.77 0.00 6.66 3.84 -1.26 -4.32 114.94 122.99 1cxc s ASN 39 Ca 0.61 2.28 0.28 0.00 0.21 0.00 0.00 52.86 56.24 1cxc s ASN 39 Cb -0.16 -2.57 0.99 0.00 -0.55 0.00 0.00 41.25 38.96 1cxc s ASN 39 CO 0.56 -0.75 1.73 0.18 -2.79 0.00 0.00 177.10 176.02 1cxc n LEU 40 N 5.06 0.47 -4.69 3.21 4.32 -0.41 -4.82 117.00 120.13 1cxc n LEU 40 Ca 0.13 0.05 -0.42 0.00 -0.02 0.00 0.00 56.01 55.76 1cxc n LEU 40 Cb 0.42 -0.25 -0.03 0.00 -1.62 0.00 0.00 43.42 41.95 1cxc n LEU 40 CO 0.60 0.10 1.40 -0.47 -1.22 0.00 0.00 177.39 177.80 1cxc s TYR 41 N -2.69 2.32 0.00 -1.77 5.04 -1.26 -1.87 117.35 117.12 1cxc s TYR 41 Ca 0.21 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 1cxc s TYR 41 Cb 0.19 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1cxc s TYR 41 CO 0.54 -4.40 0.00 0.41 -1.34 0.00 0.00 175.55 170.76 1cxc n GLY 42 N 4.11 0.67 0.31 8.97 0.00 0.78 -4.94 105.19 115.08 1cxc n GLY 42 Ca 0.17 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1cxc n GLY 42 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1cxc h VAL 43 N 0.00 1.26 -1.12 1.61 -1.51 -1.46 -3.38 116.25 111.65 1cxc h VAL 43 Ca 0.00 -1.04 -0.69 0.00 -1.23 0.00 0.00 66.70 63.74 1cxc h VAL 43 Cb 0.00 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1cxc h VAL 43 CO 0.00 0.38 1.32 0.52 -1.23 0.00 0.00 177.57 178.57 1cxc n VAL 44 N -4.21 0.21 -1.00 7.19 0.31 -1.26 -1.71 118.33 117.87 1cxc n VAL 44 Ca 0.04 -0.20 -0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1cxc n VAL 44 Cb 0.30 -1.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1cxc n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cxc n GLY 45 N 6.18 0.49 3.82 2.92 0.00 -0.60 -4.85 105.19 113.15 1cxc n GLY 45 Ca 0.39 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1cxc n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cxc s ARG 46 N -0.22 4.12 0.18 1.61 3.52 -0.69 -4.52 118.95 122.95 1cxc s ARG 46 Ca 0.00 0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 55.94 1cxc s ARG 46 Cb 0.00 -3.08 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 1cxc s ARG 46 CO 0.00 0.55 1.40 0.99 -0.81 0.00 0.00 175.30 177.43 1cxc s THR 47 N -1.29 3.02 0.35 4.11 2.01 -1.26 -1.42 115.64 121.15 1cxc s THR 47 Ca 0.34 0.79 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 1cxc s THR 47 Cb -0.17 -3.50 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 1cxc s THR 47 CO 0.19 0.09 1.49 0.00 -0.69 0.00 0.00 174.62 175.71 1cxc s ALA 48 N 0.54 3.61 -0.40 7.40 0.00 -0.38 -3.19 121.76 129.34 1cxc s ALA 48 Ca 0.62 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 54.11 1cxc s ALA 48 Cb -0.39 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1cxc s ALA 48 CO 0.36 -1.00 0.09 0.41 0.00 0.00 0.00 175.76 175.62 1cxc n GLY 49 N 0.89 0.30 0.00 0.00 0.00 -1.26 -3.94 105.19 101.18 1cxc n GLY 49 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1cxc n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cxc n THR 50 N -3.72 0.01 -1.68 2.61 -2.24 -1.19 -4.84 114.28 103.23 1cxc n THR 50 Ca -0.04 -0.22 -0.49 0.00 -2.27 0.00 0.00 64.05 61.03 1cxc n THR 50 Cb 0.54 1.55 -0.05 0.00 -2.10 0.00 0.00 70.33 70.26 1cxc n THR 50 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1cxc n GLN 51 N -0.01 1.99 0.26 -0.78 -0.06 -1.26 -4.84 117.38 112.68 1cxc n GLN 51 Ca 0.00 0.72 0.10 0.00 -2.00 0.00 0.00 57.00 55.83 1cxc n GLN 51 Cb 0.15 -2.52 0.70 0.00 -4.06 0.00 0.00 30.24 24.51 1cxc n GLN 51 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cxc h ALA 52 N 7.79 1.70 -0.60 1.69 0.00 -2.00 -2.82 119.26 125.02 1cxc h ALA 52 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1cxc h ALA 52 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cxc h ALA 52 CO 0.92 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.85 1cxc n ASP 53 N -4.17 3.68 -4.55 0.00 5.75 -1.26 -4.82 116.55 111.18 1cxc n ASP 53 Ca -0.03 -1.99 -0.40 0.00 -0.01 0.00 0.00 54.79 52.37 1cxc n ASP 53 Cb 0.14 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 39.73 1cxc n ASP 53 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1cxc s PHE 54 N -1.07 3.22 -1.48 2.11 5.36 -1.06 -4.93 117.98 120.12 1cxc s PHE 54 Ca 0.42 -0.06 0.20 0.00 -0.96 0.00 0.00 56.93 56.53 1cxc s PHE 54 Cb 0.23 -2.50 0.68 0.00 -0.34 0.00 0.00 43.02 41.08 1cxc s PHE 54 CO 0.30 -0.32 1.58 1.63 -1.46 0.00 0.00 175.22 176.95 1cxc n LYS 55 N 5.16 3.28 -0.78 10.12 4.76 -1.26 -4.52 118.16 134.91 1cxc n LYS 55 Ca -0.12 -2.77 -0.03 0.00 -2.87 0.00 0.00 58.31 52.51 1cxc n LYS 55 Cb 0.50 -1.74 0.23 0.00 -1.84 0.00 0.00 35.03 32.18 1cxc n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cxc n GLY 56 N 1.33 4.46 3.78 0.72 0.00 -1.26 -5.00 105.19 109.22 1cxc n GLY 56 Ca 0.25 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1cxc n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cxc s TYR 57 N -3.11 2.99 0.71 1.61 2.02 -1.26 -4.99 117.35 115.32 1cxc s TYR 57 Ca 0.47 1.58 -0.07 0.00 -0.37 0.00 0.00 57.07 58.67 1cxc s TYR 57 Cb 0.40 -3.24 0.06 0.00 -0.40 0.00 0.00 41.96 38.78 1cxc s TYR 57 CO 0.05 -1.13 1.02 0.20 -1.57 0.00 0.00 175.55 174.12 1cxc s GLY 58 N -1.58 1.67 0.43 0.71 0.00 -1.26 -4.94 107.32 102.35 1cxc s GLY 58 Ca 0.64 -0.86 0.23 0.00 0.00 0.00 0.00 44.72 44.72 1cxc s GLY 58 CO 0.29 -0.46 1.77 0.83 0.00 0.00 0.00 173.10 175.53 1cxc h GLU 59 N -0.61 0.00 -0.40 2.90 4.39 -1.96 -2.46 114.58 116.44 1cxc h GLU 59 Ca -0.45 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.10 1cxc h GLU 59 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1cxc h GLU 59 CO 0.61 0.23 -0.35 0.78 -1.16 0.00 0.00 179.01 179.13 1cxc h GLY 60 N 2.37 1.01 1.12 -3.84 0.00 -1.94 -0.96 103.07 100.83 1cxc h GLY 60 Ca -0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.16 1cxc h GLY 60 CO 0.03 0.90 -0.45 1.98 0.00 0.00 0.00 176.54 179.00 1cxc h MET 61 N 0.77 0.89 -0.65 4.80 1.85 -1.77 -1.67 114.93 119.15 1cxc h MET 61 Ca 0.07 -0.51 -0.03 0.00 -0.61 0.00 0.00 59.70 58.62 1cxc h MET 61 Cb 0.93 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.97 1cxc h MET 61 CO 0.09 1.16 0.29 0.87 -0.40 0.00 0.00 176.91 178.92 1cxc h LYS 62 N 0.69 0.95 0.17 0.39 1.57 -1.25 -2.47 116.57 116.62 1cxc h LYS 62 Ca 0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1cxc h LYS 62 Cb 1.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1cxc h LYS 62 CO 0.11 0.77 -0.15 1.49 -0.57 0.00 0.00 179.45 181.09 1cxc h GLU 63 N 0.90 -0.33 -0.60 3.15 4.81 -1.07 -0.71 114.58 120.73 1cxc h GLU 63 Ca 0.22 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.57 1cxc h GLU 63 Cb 0.15 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 1cxc h GLU 63 CO -0.02 -0.22 0.21 0.00 -0.73 0.00 0.00 179.01 178.24 1cxc h ALA 64 N 0.45 0.77 -0.35 2.92 0.00 -1.25 -1.48 119.26 120.32 1cxc h ALA 64 Ca -0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cxc h ALA 64 Cb 0.32 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1cxc h ALA 64 CO -0.03 -0.22 0.22 0.78 0.00 0.00 0.00 179.25 180.01 1cxc h GLY 65 N 0.38 0.48 0.75 0.00 0.00 -1.08 -1.41 103.07 102.19 1cxc h GLY 65 Ca 0.31 -0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.58 1cxc h GLY 65 CO -0.32 0.17 0.52 0.00 0.00 0.00 0.00 176.54 176.91 1cxc h ALA 66 N 1.13 1.84 0.00 3.60 0.00 -0.91 -0.19 119.26 124.73 1cxc h ALA 66 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cxc h ALA 66 Cb -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1cxc h ALA 66 CO -0.04 -0.02 -0.03 0.87 0.00 0.00 0.00 179.25 180.03 1cxc h LYS 67 N 0.66 0.00 0.00 0.00 6.56 -1.03 -3.46 116.57 119.30 1cxc h LYS 67 Ca 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.97 1cxc h LYS 67 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1cxc h LYS 67 CO -0.15 0.03 0.00 0.41 -2.06 0.00 0.00 179.45 177.68 1cxc n GLY 68 N -0.67 1.59 3.64 3.86 0.00 -0.08 -5.06 105.19 108.47 1cxc n GLY 68 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1cxc n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cxc s LEU 69 N 0.00 4.01 -0.02 0.99 2.96 -0.56 -4.97 118.68 121.10 1cxc s LEU 69 Ca 0.00 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.34 1cxc s LEU 69 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1cxc s LEU 69 CO 0.00 -0.91 -0.19 0.00 -1.32 0.00 0.00 176.35 173.93 1cxc s ALA 70 N 3.88 2.46 -0.20 5.97 0.00 -1.26 -1.25 121.76 131.36 1cxc s ALA 70 Ca 0.53 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 1cxc s ALA 70 Cb -0.18 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1cxc s ALA 70 CO 0.18 0.55 1.49 -1.58 0.00 0.00 0.00 175.76 176.39 1cxc s TRP 71 N -0.73 2.35 0.40 0.00 0.52 -0.50 -4.86 118.94 116.12 1cxc s TRP 71 Ca 0.12 0.65 0.01 0.00 0.02 0.00 0.00 56.10 56.89 1cxc s TRP 71 Cb -0.10 -3.86 -0.00 0.00 -1.15 0.00 0.00 33.47 28.35 1cxc s TRP 71 CO 0.01 -2.59 0.03 -0.40 0.02 0.00 0.00 176.95 174.02 1cxc n ASP 72 N 7.70 2.66 -0.20 2.95 5.68 -1.26 -1.56 116.55 132.52 1cxc n ASP 72 Ca 0.17 -2.84 -0.10 0.00 -0.50 0.00 0.00 54.79 51.52 1cxc n ASP 72 Cb 0.45 0.44 0.02 0.00 -1.14 0.00 0.00 41.12 40.89 1cxc n ASP 72 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1cxc h GLU 73 N 0.00 1.05 -0.41 0.11 4.81 -1.98 -0.96 114.58 117.20 1cxc h GLU 73 Ca -0.33 -0.36 -0.12 0.00 -0.13 0.00 0.00 59.36 58.42 1cxc h GLU 73 Cb 1.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1cxc h GLU 73 CO 0.54 1.06 -0.22 0.93 -0.73 0.00 0.00 179.01 180.59 1cxc h GLU 74 N 0.94 0.81 0.00 1.92 5.08 -1.99 -0.90 114.58 120.44 1cxc h GLU 74 Ca 0.16 -0.33 -0.22 0.00 -1.00 0.00 0.00 59.36 57.98 1cxc h GLU 74 Cb 0.62 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1cxc h GLU 74 CO 0.04 0.95 -0.92 0.45 -1.00 0.00 0.00 179.01 178.53 1cxc h HIS 75 N 0.70 0.48 -0.55 4.33 3.86 -1.91 -2.99 115.15 119.08 1cxc h HIS 75 Ca 0.10 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 58.97 1cxc h HIS 75 Cb 0.74 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 1cxc h HIS 75 CO 0.04 1.08 0.04 0.35 0.86 0.00 0.00 177.93 180.30 1cxc h PHE 76 N 0.18 1.02 0.00 2.45 3.57 -0.93 -0.54 116.94 122.68 1cxc h PHE 76 Ca -0.07 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1cxc h PHE 76 Cb 1.56 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1cxc h PHE 76 CO 0.05 0.92 0.00 -0.39 -2.23 0.00 0.00 178.31 176.65 1cxc h VAL 77 N 0.82 0.00 0.23 1.41 -1.51 -1.15 -1.93 116.25 114.12 1cxc h VAL 77 Ca 0.16 -0.71 -0.33 0.00 -1.23 0.00 0.00 66.70 64.59 1cxc h VAL 77 Cb 0.49 1.69 0.03 0.00 -2.13 0.00 0.00 31.29 31.37 1cxc h VAL 77 CO 0.02 0.00 -1.50 1.56 -1.23 0.00 0.00 177.57 176.42 1cxc h GLN 78 N 0.00 0.49 0.24 5.19 4.20 -1.34 -3.21 115.11 120.68 1cxc h GLN 78 Ca 0.00 -0.84 -0.01 0.00 0.06 0.00 0.00 58.65 57.86 1cxc h GLN 78 Cb 0.77 0.31 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1cxc h GLN 78 CO 0.00 1.40 -0.12 -0.92 -0.67 0.00 0.00 178.83 178.53 1cxc h TYR 79 N 0.09 -0.30 0.00 2.96 3.20 -0.73 -3.03 116.97 119.17 1cxc h TYR 79 Ca -0.27 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.59 1cxc h TYR 79 Cb 2.12 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 40.48 1cxc h TYR 79 CO 0.13 -0.07 -0.01 -0.39 -1.64 0.00 0.00 178.16 176.18 1cxc h VAL 80 N -0.48 0.64 0.00 1.81 -1.51 -1.47 -2.04 116.25 113.20 1cxc h VAL 80 Ca -0.03 -0.03 -0.12 0.00 -1.23 0.00 0.00 66.70 65.29 1cxc h VAL 80 Cb 0.36 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 1cxc h VAL 80 CO 0.05 0.01 -0.58 1.56 -1.23 0.00 0.00 177.57 177.38 1cxc h GLN 81 N 0.00 0.00 -0.79 5.19 4.20 -1.53 -0.86 115.11 121.32 1cxc h GLN 81 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1cxc h GLN 81 Cb 0.01 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 27.60 1cxc h GLN 81 CO 0.00 0.58 -0.34 0.34 -0.67 0.00 0.00 178.83 178.75 1cxc s ASP 82 N -6.75 -1.25 0.37 1.46 -1.08 -0.87 -4.35 116.67 104.21 1cxc s ASP 82 Ca -0.01 -0.40 0.12 0.00 -0.52 0.00 0.00 52.55 51.74 1cxc s ASP 82 Cb 0.12 1.64 0.73 0.00 -1.46 0.00 0.00 42.92 43.95 1cxc s ASP 82 CO 0.75 -0.16 1.84 -0.65 0.52 0.00 0.00 175.17 177.47 1cxc h PRO 83 N 6.93 0.05 0.08 4.34 0.11 -1.65 -1.70 132.00 140.16 1cxc h PRO 83 Ca 0.01 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.84 1cxc h PRO 83 Cb 1.19 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1cxc h PRO 83 CO 0.06 0.38 -1.24 1.15 -0.21 0.00 0.00 178.00 178.14 1cxc h THR 84 N 0.04 1.48 -0.12 -1.15 2.02 -1.87 -1.89 112.91 111.42 1cxc h THR 84 Ca 0.00 -3.12 -0.05 0.00 0.77 0.00 0.00 66.41 64.02 1cxc h THR 84 Cb 0.61 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1cxc h THR 84 CO 0.04 0.89 -0.11 0.50 0.37 0.00 0.00 175.52 177.21 1cxc h LYS 85 N 0.05 0.29 -0.57 6.66 3.64 -1.88 -1.35 116.57 123.40 1cxc h LYS 85 Ca -0.12 -0.15 0.09 0.00 -1.27 0.00 0.00 60.65 59.20 1cxc h LYS 85 Cb 1.92 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.67 1cxc h LYS 85 CO 0.17 0.69 0.17 0.35 -2.27 0.00 0.00 179.45 178.55 1cxc h PHE 86 N -0.10 0.28 -0.25 1.91 3.57 -1.24 -2.11 116.94 118.99 1cxc h PHE 86 Ca 0.02 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1cxc h PHE 86 Cb 0.63 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1cxc h PHE 86 CO 0.08 0.04 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.93 1cxc h LEU 87 N 0.32 0.45 -0.46 0.59 4.07 -1.05 -1.65 115.31 117.60 1cxc h LEU 87 Ca 0.29 -0.14 -0.14 0.00 0.08 0.00 0.00 57.88 57.97 1cxc h LEU 87 Cb 0.38 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1cxc h LEU 87 CO -0.33 0.67 -0.29 0.11 -1.08 0.00 0.00 178.44 177.52 1cxc h LYS 88 N 0.41 0.97 0.03 1.13 1.57 -0.95 -1.89 116.57 117.83 1cxc h LYS 88 Ca 0.07 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1cxc h LYS 88 Cb 0.60 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1cxc h LYS 88 CO 0.04 1.12 -0.01 0.93 -0.57 0.00 0.00 179.45 180.96 1cxc h GLU 89 N 0.82 -0.03 0.50 3.15 5.08 -1.15 -2.03 114.58 120.92 1cxc h GLU 89 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1cxc h GLU 89 Cb 0.88 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1cxc h GLU 89 CO 0.08 0.50 -0.49 -0.92 -1.00 0.00 0.00 179.01 177.19 1cxc h TYR 90 N -0.59 -1.34 -0.02 4.33 3.20 -1.35 -3.15 116.97 118.06 1cxc h TYR 90 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1cxc h TYR 90 Cb 0.55 0.52 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1cxc h TYR 90 CO 0.11 -0.66 0.03 1.15 -1.64 0.00 0.00 178.16 177.16 1cxc h THR 91 N -0.99 0.29 -0.10 1.81 2.02 -1.43 -3.47 112.91 111.05 1cxc h THR 91 Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1cxc h THR 91 Cb 0.86 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1cxc h THR 91 CO -0.05 0.00 -0.04 0.61 0.37 0.00 0.00 175.52 176.41 1cxc n GLY 92 N -1.23 0.50 3.08 2.16 0.00 -0.77 -5.00 105.19 103.92 1cxc n GLY 92 Ca -0.03 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1cxc n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cxc s ASP 93 N -2.25 3.51 0.55 1.61 2.15 -1.19 -4.99 116.67 116.06 1cxc s ASP 93 Ca 0.00 -0.89 0.34 0.00 0.43 0.00 0.00 52.55 52.43 1cxc s ASP 93 Cb 0.00 -1.43 1.46 0.00 -0.30 0.00 0.00 42.92 42.66 1cxc s ASP 93 CO 0.00 -0.08 2.02 0.00 -0.17 0.00 0.00 175.17 176.94 1cxc h ALA 94 N 7.91 1.02 -0.00 3.66 0.00 -1.95 -1.58 119.26 128.32 1cxc h ALA 94 Ca -0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1cxc h ALA 94 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1cxc h ALA 94 CO 0.55 0.03 -0.02 1.63 0.00 0.00 0.00 179.25 181.45 1cxc n LYS 95 N -3.15 0.18 -1.67 0.00 4.01 -1.26 -4.95 118.16 111.34 1cxc n LYS 95 Ca -0.00 -0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.37 1cxc n LYS 95 Cb 0.28 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 1cxc n LYS 95 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cxc n ALA 96 N -1.40 0.85 -2.91 7.82 0.00 -0.59 -5.04 120.51 119.24 1cxc n ALA 96 Ca 0.10 0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 1cxc n ALA 96 Cb 0.30 -2.19 -0.14 0.00 0.00 0.00 0.00 19.45 17.42 1cxc n ALA 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cxc s LYS 97 N -2.00 0.00 0.13 0.00 3.01 -1.26 -4.57 119.74 115.05 1cxc s LYS 97 Ca 0.60 0.01 -0.07 0.00 -1.01 0.00 0.00 55.97 55.50 1cxc s LYS 97 Cb -0.56 -0.01 -0.06 0.00 -1.01 0.00 0.00 37.83 36.20 1cxc s LYS 97 CO 0.59 -0.01 0.40 0.20 0.51 0.00 0.00 175.35 177.04 1cxc s GLY 98 N 0.04 2.27 0.28 -3.33 0.00 -1.26 -4.16 107.32 101.16 1cxc s GLY 98 Ca -0.00 -0.48 0.24 0.00 0.00 0.00 0.00 44.72 44.48 1cxc s GLY 98 CO -0.00 -0.35 1.54 0.50 0.00 0.00 0.00 173.10 174.79 1cxc h LYS 99 N 3.09 0.00 -6.39 2.90 1.79 -1.96 -3.45 116.57 112.54 1cxc h LYS 99 Ca -0.47 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.43 1cxc h LYS 99 Cb 1.17 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 1cxc h LYS 99 CO 0.70 0.00 0.98 1.41 -1.08 0.00 0.00 179.45 181.46 1cxc s MET 100 N -3.19 3.87 -0.22 3.15 1.75 -1.26 -4.91 119.30 118.49 1cxc s MET 100 Ca 0.07 1.17 0.15 0.00 -1.25 0.00 0.00 55.69 55.83 1cxc s MET 100 Cb 0.09 -3.89 0.80 0.00 2.84 0.00 0.00 34.83 34.67 1cxc s MET 100 CO 0.67 -1.18 1.72 0.25 -0.65 0.00 0.00 175.02 175.83 1cxc n THR 101 N 6.34 2.61 -4.26 10.11 -2.24 -1.26 -4.75 114.28 120.82 1cxc n THR 101 Ca 0.15 -1.40 -0.34 0.00 -2.27 0.00 0.00 64.05 60.19 1cxc n THR 101 Cb 0.47 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 1cxc n THR 101 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1cxc s PHE 102 N -2.62 3.14 -0.13 4.78 5.36 -1.26 -5.07 117.98 122.18 1cxc s PHE 102 Ca 0.54 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 56.48 1cxc s PHE 102 Cb 0.40 -1.95 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 1cxc s PHE 102 CO 0.17 0.18 -0.16 0.15 -1.46 0.00 0.00 175.22 174.10 1cxc s LYS 103 N -0.01 3.26 -0.25 10.12 1.02 -1.26 -4.68 119.74 127.95 1cxc s LYS 103 Ca 0.03 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 55.02 1cxc s LYS 103 Cb -0.13 -2.56 -0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1cxc s LYS 103 CO 0.02 0.14 0.88 -1.17 -0.92 0.00 0.00 175.35 174.30 1cxc s LEU 104 N 0.51 4.08 0.38 3.17 2.96 -0.33 -4.93 118.68 124.51 1cxc s LEU 104 Ca -0.11 1.09 0.20 0.00 -0.22 0.00 0.00 54.13 55.10 1cxc s LEU 104 Cb -0.16 -3.27 0.23 0.00 0.50 0.00 0.00 46.19 43.49 1cxc s LEU 104 CO 0.04 -0.57 1.54 0.11 -1.32 0.00 0.00 176.35 176.15 1cxc h LYS 105 N 7.66 0.00 -5.18 1.98 1.79 -1.89 -3.39 116.57 117.55 1cxc h LYS 105 Ca -0.22 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.62 1cxc h LYS 105 Cb 1.08 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.55 1cxc h LYS 105 CO 0.90 0.18 -0.59 0.15 -1.08 0.00 0.00 179.45 179.01 1cxc s LYS 106 N -3.12 3.85 0.13 3.15 1.02 -1.26 -4.97 119.74 118.54 1cxc s LYS 106 Ca 0.06 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.48 1cxc s LYS 106 Cb 0.06 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1cxc s LYS 106 CO 0.70 0.13 1.74 1.49 -0.92 0.00 0.00 175.35 178.49 1cxc h GLU 107 N 7.17 0.49 -0.78 1.68 4.81 -1.97 -1.97 114.58 124.01 1cxc h GLU 107 Ca -0.36 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 58.93 1cxc h GLU 107 Cb 1.17 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 1cxc h GLU 107 CO 0.65 0.40 0.40 0.00 -0.73 0.00 0.00 179.01 179.74 1cxc h ALA 108 N 1.06 1.12 -0.46 2.92 0.00 -1.99 -1.80 119.26 120.11 1cxc h ALA 108 Ca 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1cxc h ALA 108 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1cxc h ALA 108 CO -0.02 -0.05 0.11 -0.44 0.00 0.00 0.00 179.25 178.85 1cxc h ASP 109 N 0.63 0.65 -0.55 0.00 5.19 -1.79 -1.08 116.42 119.47 1cxc h ASP 109 Ca 0.40 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.68 1cxc h ASP 109 Cb 0.49 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1cxc h ASP 109 CO -0.31 0.65 0.23 0.00 -3.12 0.00 0.00 179.24 176.70 1cxc h ALA 110 N 1.44 0.72 -0.46 3.45 0.00 -0.87 -0.17 119.26 123.36 1cxc h ALA 110 Ca 0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1cxc h ALA 110 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cxc h ALA 110 CO -0.00 0.31 -0.24 0.45 0.00 0.00 0.00 179.25 179.77 1cxc h HIS 111 N 0.75 1.11 -0.57 0.00 3.86 -1.17 -1.97 115.15 117.16 1cxc h HIS 111 Ca 0.19 -0.28 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1cxc h HIS 111 Cb 0.18 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1cxc h HIS 111 CO 0.00 1.09 0.21 -0.91 0.86 0.00 0.00 177.93 179.19 1cxc h ASN 112 N 0.83 0.81 -0.17 2.45 -0.26 -0.89 -1.97 115.58 116.39 1cxc h ASN 112 Ca 0.10 -0.19 -0.06 0.00 -0.56 0.00 0.00 56.30 55.59 1cxc h ASN 112 Cb 0.81 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.84 1cxc h ASN 112 CO 0.07 0.78 -0.08 0.40 -1.06 0.00 0.00 177.43 177.53 1cxc h ILE 113 N 0.80 1.22 -0.45 2.81 2.04 -0.98 -1.51 117.51 121.44 1cxc h ILE 113 Ca 0.19 -0.94 -0.13 0.00 1.00 0.00 0.00 64.86 64.99 1cxc h ILE 113 Cb 0.24 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1cxc h ILE 113 CO -0.01 0.31 -0.22 -0.25 0.00 0.00 0.00 178.15 177.98 1cxc h TRP 114 N 0.47 1.04 -0.18 1.37 2.91 -1.07 -1.07 115.95 119.42 1cxc h TRP 114 Ca 0.09 -0.25 -0.06 0.00 1.13 0.00 0.00 58.89 59.80 1cxc h TRP 114 Cb 0.44 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 1cxc h TRP 114 CO 0.01 1.03 -0.18 0.00 -1.03 0.00 0.00 178.44 178.28 1cxc h ALA 115 N 0.96 1.37 -0.31 2.65 0.00 -0.98 -1.36 119.26 121.58 1cxc h ALA 115 Ca 0.11 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1cxc h ALA 115 Cb 0.77 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cxc h ALA 115 CO 0.06 0.43 -0.33 -0.92 0.00 0.00 0.00 179.25 178.49 1cxc h TYR 116 N 0.28 0.79 -0.07 0.00 3.20 -0.56 -2.64 116.97 117.97 1cxc h TYR 116 Ca 0.05 -0.21 -0.14 0.00 3.14 0.00 0.00 58.73 61.57 1cxc h TYR 116 Cb 0.48 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1cxc h TYR 116 CO 0.01 0.92 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.80 1cxc h LEU 117 N 0.57 0.26 -0.99 2.82 3.38 -0.61 0.41 115.31 121.16 1cxc h LEU 117 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1cxc h LEU 117 Cb 0.84 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1cxc h LEU 117 CO 0.07 0.78 0.00 1.56 0.09 0.00 0.00 178.44 180.94 1cxc h GLN 118 N 0.18 0.00 0.04 1.13 1.08 -1.04 0.64 115.11 117.14 1cxc h GLN 118 Ca -0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 1cxc h GLN 118 Cb 1.07 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 1cxc h GLN 118 CO 0.09 0.00 -1.97 1.04 -0.95 0.00 0.00 178.83 177.04 1cxc n GLN 119 N -2.54 0.68 -0.00 1.46 1.13 0.02 -4.73 117.38 113.40 1cxc n GLN 119 Ca 0.01 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1cxc n GLN 119 Cb 0.25 -1.70 -0.00 0.00 0.11 0.00 0.00 30.24 28.89 1cxc n GLN 119 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1cxc n VAL 120 N -3.16 0.00 -1.33 5.09 0.24 -0.50 -4.74 118.33 113.93 1cxc n VAL 120 Ca -0.27 -0.15 -0.02 0.00 -2.04 0.00 0.00 64.34 61.87 1cxc n VAL 120 Cb 1.06 0.64 0.21 0.00 -1.47 0.00 0.00 33.84 34.28 1cxc n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cxc n ALA 121 N -1.37 4.02 -2.68 2.33 0.00 0.21 -4.92 120.51 118.10 1cxc n ALA 121 Ca -0.00 -2.93 -0.38 0.00 0.00 0.00 0.00 53.44 50.12 1cxc n ALA 121 Cb 0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 1cxc n ALA 121 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1cxc s VAL 122 N -3.15 5.18 -0.05 0.00 1.01 -1.24 -0.16 120.40 122.00 1cxc s VAL 122 Ca 0.44 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 63.07 1cxc s VAL 122 Cb 0.39 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1cxc s VAL 122 CO 0.02 0.25 0.33 -0.60 0.00 0.00 0.00 175.10 175.10 1cxc s ARG 123 N 1.25 3.84 0.00 2.72 3.52 -1.26 -4.87 118.95 124.15 1cxc s ARG 123 Ca 0.21 0.24 0.20 0.00 -0.13 0.00 0.00 55.73 56.24 1cxc s ARG 123 Cb -0.15 -3.24 0.16 0.00 -1.56 0.00 0.00 34.95 30.16 1cxc s ARG 123 CO 0.08 0.65 1.13 -0.35 -0.81 0.00 0.00 175.30 176.00