#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxk h ILE 8 N 0.00 0.87 0.00 5.18 6.09 -1.98 0.40 117.51 128.07 3gxk h ILE 8 Ca 0.00 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 63.32 3gxk h ILE 8 Cb 0.00 0.33 -0.00 0.00 0.47 0.00 0.00 36.82 37.62 3gxk h ILE 8 CO 0.00 0.09 -0.03 0.71 -3.07 0.00 0.00 178.15 175.85 3gxk h THR 9 N 0.49 0.41 -0.51 2.19 1.35 -1.97 -3.01 112.91 111.87 3gxk h THR 9 Ca 0.34 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 3gxk h THR 9 Cb 0.64 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3gxk h THR 9 CO -0.11 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.18 3gxk n GLN 10 N -3.62 2.58 -2.73 4.72 1.13 0.13 -4.92 117.38 114.66 3gxk n GLN 10 Ca -0.03 -2.41 -0.42 0.00 -1.94 0.00 0.00 57.00 52.20 3gxk n GLN 10 Cb 0.12 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 3gxk n GLN 10 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxk s VAL 11 N -1.29 4.84 0.16 5.09 1.01 -1.14 -4.97 120.40 124.10 3gxk s VAL 11 Ca 0.42 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 64.08 3gxk s VAL 11 Cb 0.23 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3gxk s VAL 11 CO 0.32 0.08 1.28 -1.83 0.00 0.00 0.00 175.10 174.95 3gxk s GLU 12 N 1.58 4.41 -0.01 2.72 -1.05 -1.26 -5.02 118.70 120.07 3gxk s GLU 12 Ca 0.48 1.97 -0.00 0.00 -0.15 0.00 0.00 54.97 57.28 3gxk s GLU 12 Cb -0.19 -3.24 0.01 0.00 -0.44 0.00 0.00 34.13 30.27 3gxk s GLU 12 CO 0.21 -0.25 0.01 -0.08 0.95 0.00 0.00 175.26 176.11 3gxk s THR 13 N 0.38 -0.02 -2.64 1.83 -1.32 -1.26 -4.92 115.64 107.70 3gxk s THR 13 Ca 0.57 0.06 0.24 0.00 -1.21 0.00 0.00 61.69 61.35 3gxk s THR 13 Cb -0.35 -0.04 0.36 0.00 -1.51 0.00 0.00 72.50 70.97 3gxk s THR 13 CO 0.35 0.03 1.38 -1.54 -2.21 0.00 0.00 174.62 172.62 3gxk n SER 14 N 3.40 3.19 0.00 8.08 3.41 -1.26 -4.90 113.62 125.53 3gxk n SER 14 Ca -0.17 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3gxk n SER 14 Cb 0.57 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3gxk n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxk n GLY 15 N 1.44 0.25 3.84 5.00 0.00 -1.24 -3.70 105.19 110.77 3gxk n GLY 15 Ca 0.18 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 3gxk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxk s ALA 16 N -1.54 3.10 0.77 4.61 0.00 -0.92 -3.29 121.76 124.50 3gxk s ALA 16 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 3gxk s ALA 16 Cb 0.00 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.11 3gxk s ALA 16 CO 0.00 -0.18 1.10 -1.54 0.00 0.00 0.00 175.76 175.15 3gxk s SER 17 N -3.01 4.78 0.40 0.00 1.04 -1.26 -0.55 113.70 115.10 3gxk s SER 17 Ca 0.58 1.19 0.17 0.00 0.48 0.00 0.00 55.95 58.38 3gxk s SER 17 Cb -0.10 -1.93 0.84 0.00 0.10 0.00 0.00 66.02 64.93 3gxk s SER 17 CO 0.30 -1.77 1.84 0.77 0.98 0.00 0.00 173.24 175.35 3gxk h SER 18 N -0.95 0.00 0.17 7.02 4.64 -1.91 -1.76 113.55 120.76 3gxk h SER 18 Ca -0.46 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3gxk h SER 18 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3gxk h SER 18 CO 0.61 0.33 -0.21 0.50 -0.87 0.00 0.00 176.83 177.20 3gxk h LYS 19 N 0.00 -0.41 -0.60 4.77 3.11 -1.94 -2.75 116.57 118.75 3gxk h LYS 19 Ca -0.00 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 3gxk h LYS 19 Cb 0.69 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.99 3gxk h LYS 19 CO 0.04 -0.27 0.12 1.15 -2.81 0.00 0.00 179.45 177.68 3gxk h THR 20 N -0.43 1.25 -0.99 1.00 2.02 -1.80 -2.94 112.91 111.03 3gxk h THR 20 Ca 0.01 -0.95 0.22 0.00 0.77 0.00 0.00 66.41 66.46 3gxk h THR 20 Cb 0.42 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 3gxk h THR 20 CO -0.08 0.35 0.63 0.28 0.37 0.00 0.00 175.52 177.07 3gxk h SER 21 N 0.88 0.57 0.26 4.18 0.02 -1.28 -0.39 113.55 117.79 3gxk h SER 21 Ca 0.18 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3gxk h SER 21 Cb 0.39 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3gxk h SER 21 CO 0.01 0.18 0.00 0.54 -1.14 0.00 0.00 176.83 176.41 3gxk n ARG 22 N -4.66 0.10 0.24 3.45 5.12 -1.05 -2.10 116.66 117.77 3gxk n ARG 22 Ca 0.23 0.49 0.08 0.00 -1.93 0.00 0.00 57.85 56.72 3gxk n ARG 22 Cb 0.72 -1.75 0.60 0.00 -1.16 0.00 0.00 32.46 30.86 3gxk n ARG 22 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3gxk h GLN 23 N 0.00 0.00 -0.57 5.56 4.20 -1.20 0.22 115.11 123.32 3gxk h GLN 23 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gxk h GLN 23 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3gxk h GLN 23 CO 0.00 0.12 0.00 -0.25 -0.67 0.00 0.00 178.83 178.03 3gxk n ASP 24 N -4.24 4.31 -2.95 1.46 10.43 -0.89 -4.96 116.55 119.70 3gxk n ASP 24 Ca -0.03 -2.39 -0.22 0.00 2.57 0.00 0.00 54.79 54.73 3gxk n ASP 24 Cb 0.19 -0.51 0.02 0.00 1.84 0.00 0.00 41.12 42.66 3gxk n ASP 24 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3gxk n LYS 25 N 0.92 -4.02 -2.75 -1.24 5.02 0.79 -4.98 118.16 111.90 3gxk n LYS 25 Ca 0.23 0.84 -0.37 0.00 -2.02 0.00 0.00 58.31 56.99 3gxk n LYS 25 Cb 0.79 -5.63 -0.06 0.00 -0.02 0.00 0.00 35.03 30.11 3gxk n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxk s LEU 26 N -6.50 4.31 -0.38 -0.35 1.02 -1.00 -4.95 118.68 110.82 3gxk s LEU 26 Ca 0.25 1.86 0.06 0.00 0.02 0.00 0.00 54.13 56.33 3gxk s LEU 26 Cb -0.12 -4.05 0.56 0.00 0.02 0.00 0.00 46.19 42.60 3gxk s LEU 26 CO 0.31 -0.13 1.66 -0.62 0.02 0.00 0.00 176.35 177.59 3gxk n GLU 27 N 0.45 2.14 -4.04 1.70 1.02 -1.26 -4.29 120.64 116.36 3gxk n GLU 27 Ca 0.02 -3.20 -0.10 0.00 -0.02 0.00 0.00 57.16 53.87 3gxk n GLU 27 Cb 0.50 -2.01 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 3gxk n GLU 27 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3gxk s TYR 28 N -3.34 0.54 0.00 -0.32 -0.85 -1.26 -5.19 117.35 106.93 3gxk s TYR 28 Ca 0.51 -0.87 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 3gxk s TYR 28 Cb 0.44 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.81 3gxk s TYR 28 CO 0.04 -0.92 0.00 -0.40 -1.52 0.00 0.00 175.55 172.75 3gxk n ASP 29 N -0.36 0.49 0.00 -0.18 5.68 -1.26 -4.75 116.55 116.17 3gxk n ASP 29 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 3gxk n ASP 29 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 3gxk n ASP 29 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxk n GLY 30 N 1.37 -0.16 0.36 6.12 0.00 0.29 -3.07 105.19 110.09 3gxk n GLY 30 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 45.00 3gxk n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gxk h VAL 31 N 0.00 1.17 -0.15 1.61 2.07 -1.86 -2.05 116.25 117.04 3gxk h VAL 31 Ca 0.00 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3gxk h VAL 31 Cb 0.00 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 3gxk h VAL 31 CO 0.00 0.20 -0.01 0.03 0.02 0.00 0.00 177.57 177.81 3gxk h ARG 32 N 1.09 0.03 -0.40 1.57 3.08 -1.95 -0.79 114.38 117.01 3gxk h ARG 32 Ca 0.32 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.38 3gxk h ARG 32 Cb -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3gxk h ARG 32 CO -0.08 0.02 0.26 0.00 -1.07 0.00 0.00 179.97 179.09 3gxk h ALA 33 N 1.14 0.51 -0.83 0.04 0.00 -1.38 -1.40 119.26 117.33 3gxk h ALA 33 Ca 0.07 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3gxk h ALA 33 Cb 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3gxk h ALA 33 CO -0.13 -0.06 0.48 0.77 0.00 0.00 0.00 179.25 180.31 3gxk h SER 34 N 0.52 0.69 -0.24 0.00 0.02 -0.87 -1.43 113.55 112.24 3gxk h SER 34 Ca 0.15 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3gxk h SER 34 Cb -0.04 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3gxk h SER 34 CO -0.05 0.40 0.11 0.45 -1.14 0.00 0.00 176.83 176.60 3gxk h HIS 35 N 0.81 0.36 -0.70 3.45 -0.00 -0.75 -0.63 115.15 117.69 3gxk h HIS 35 Ca 0.40 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.78 3gxk h HIS 35 Cb 0.36 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 3gxk h HIS 35 CO -0.06 0.35 0.43 1.15 -0.00 0.00 0.00 177.93 179.81 3gxk h THR 36 N 0.26 1.09 -0.39 2.45 2.02 -0.85 0.88 112.91 118.37 3gxk h THR 36 Ca 0.08 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 3gxk h THR 36 Cb 0.13 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3gxk h THR 36 CO -0.01 0.15 -0.24 0.24 0.37 0.00 0.00 175.52 176.04 3gxk h MET 37 N 0.84 0.84 -0.15 6.66 2.86 -1.04 0.12 114.93 125.07 3gxk h MET 37 Ca 0.28 -0.39 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3gxk h MET 37 Cb 0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3gxk h MET 37 CO -0.11 1.03 -0.06 0.00 1.06 0.00 0.00 176.91 178.83 3gxk h ALA 38 N 0.80 0.08 -0.33 6.32 0.00 -0.99 -2.70 119.26 122.43 3gxk h ALA 38 Ca 0.08 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3gxk h ALA 38 Cb 0.80 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3gxk h ALA 38 CO 0.07 -0.50 0.00 0.37 0.00 0.00 0.00 179.25 179.19 3gxk h GLN 39 N -0.03 0.10 -0.91 0.00 4.15 -0.41 -1.74 115.11 116.26 3gxk h GLN 39 Ca 0.08 -0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.73 3gxk h GLN 39 Cb 0.15 -0.02 -0.17 0.00 0.21 0.00 0.00 27.48 27.65 3gxk h GLN 39 CO -0.18 0.06 0.00 1.15 -1.93 0.00 0.00 178.83 177.94 3gxk h THR 40 N 0.10 0.13 -0.01 2.39 2.02 -0.65 -2.14 112.91 114.76 3gxk h THR 40 Ca 0.16 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3gxk h THR 40 Cb 0.21 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3gxk h THR 40 CO -0.26 0.01 -0.14 0.47 0.37 0.00 0.00 175.52 175.96 3gxk n ASP 41 N -5.45 0.70 0.17 4.18 8.00 -0.71 -4.33 116.55 119.10 3gxk n ASP 41 Ca 0.19 -0.75 0.02 0.00 0.71 0.00 0.00 54.79 54.96 3gxk n ASP 41 Cb 0.64 -0.00 0.28 0.00 -0.02 0.00 0.00 41.12 42.01 3gxk n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxk h ALA 42 N 3.69 1.12 0.08 2.24 0.00 -0.76 -0.82 119.26 124.82 3gxk h ALA 42 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gxk h ALA 42 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gxk h ALA 42 CO 0.00 0.60 -0.04 0.78 0.00 0.00 0.00 179.25 180.59 3gxk h GLY 43 N 1.62 -0.11 0.55 0.00 0.00 -1.77 -2.92 103.07 100.43 3gxk h GLY 43 Ca -0.00 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.49 3gxk h GLY 43 CO 0.06 -0.04 0.60 3.21 0.00 0.00 0.00 176.54 180.37 3gxk h ARG 44 N -0.47 0.84 -0.00 4.80 3.08 -1.82 -2.76 114.38 118.05 3gxk h ARG 44 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3gxk h ARG 44 Cb 0.40 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3gxk h ARG 44 CO 0.02 0.55 0.00 1.98 -1.07 0.00 0.00 179.97 181.45 3gxk h MET 45 N 0.86 0.00 -0.62 0.04 4.05 -0.99 -3.14 114.93 115.14 3gxk h MET 45 Ca 0.46 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.86 3gxk h MET 45 Cb 0.55 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 3gxk h MET 45 CO -0.22 0.00 0.31 1.49 0.23 0.00 0.00 176.91 178.72 3gxk h GLU 46 N 0.00 0.86 -0.48 0.39 4.57 -1.31 -1.01 114.58 117.61 3gxk h GLU 46 Ca 0.00 -0.10 0.10 0.00 -1.18 0.00 0.00 59.36 58.18 3gxk h GLU 46 Cb 0.00 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3gxk h GLU 46 CO -0.00 0.65 0.33 -0.22 -1.18 0.00 0.00 179.01 178.60 3gxk h LYS 47 N 0.87 0.21 -0.02 1.92 3.64 -1.74 -2.28 116.57 119.16 3gxk h LYS 47 Ca 0.22 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gxk h LYS 47 Cb 0.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3gxk h LYS 47 CO -0.03 0.14 -0.04 0.66 -2.27 0.00 0.00 179.45 177.91 3gxk n TYR 48 N -4.45 0.00 -0.22 1.91 4.01 -0.40 -4.65 117.16 113.35 3gxk n TYR 48 Ca 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 3gxk n TYR 48 Cb 0.40 -0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.53 3gxk n TYR 48 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3gxk h LYS 49 N 3.88 0.58 -0.44 -0.72 3.64 -1.22 0.04 116.57 122.33 3gxk h LYS 49 Ca 0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3gxk h LYS 49 Cb 0.85 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3gxk h LYS 49 CO 0.00 0.38 -0.11 0.66 -2.27 0.00 0.00 179.45 178.11 3gxk h SER 50 N 0.60 0.86 0.02 4.20 4.64 -1.83 -0.37 113.55 121.67 3gxk h SER 50 Ca 0.31 -0.36 0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3gxk h SER 50 Cb 0.26 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 3gxk h SER 50 CO -0.22 1.02 -0.21 -0.26 -0.87 0.00 0.00 176.83 176.29 3gxk h PHE 51 N 0.68 -0.56 -0.25 4.77 0.04 -1.77 -0.48 116.94 119.38 3gxk h PHE 51 Ca 0.11 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.96 3gxk h PHE 51 Cb 0.65 0.24 -0.06 0.00 2.20 0.00 0.00 35.95 38.98 3gxk h PHE 51 CO 0.05 -0.30 -0.17 0.82 -0.60 0.00 0.00 178.31 178.11 3gxk h ILE 52 N -0.35 0.51 -0.51 -0.55 2.04 -0.74 0.13 117.51 118.04 3gxk h ILE 52 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3gxk h ILE 52 Cb 0.41 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3gxk h ILE 52 CO -0.18 0.00 0.28 0.78 0.00 0.00 0.00 178.15 179.03 3gxk h ASN 53 N -0.16 0.64 -0.04 1.72 2.35 -1.01 0.89 115.58 119.97 3gxk h ASN 53 Ca 0.14 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3gxk h ASN 53 Cb 0.37 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3gxk h ASN 53 CO -0.35 0.54 -0.16 0.78 -1.65 0.00 0.00 177.43 176.60 3gxk h ASN 54 N 0.68 -0.47 -0.41 5.81 -0.26 -0.50 -2.43 115.58 117.99 3gxk h ASN 54 Ca 0.18 0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.90 3gxk h ASN 54 Cb 0.05 0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 3gxk h ASN 54 CO -0.03 -0.21 -0.09 0.58 -1.06 0.00 0.00 177.43 176.62 3gxk h VAL 55 N -0.24 1.26 0.00 2.81 2.07 -0.49 -2.56 116.25 119.11 3gxk h VAL 55 Ca 0.06 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.43 3gxk h VAL 55 Cb 0.33 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3gxk h VAL 55 CO -0.18 0.41 -0.23 0.00 0.02 0.00 0.00 177.57 177.59 3gxk h ALA 56 N 1.11 -0.30 -0.45 1.67 0.00 -0.68 -1.89 119.26 118.72 3gxk h ALA 56 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gxk h ALA 56 Cb 0.60 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3gxk h ALA 56 CO 0.04 -0.73 0.21 0.87 0.00 0.00 0.00 179.25 179.65 3gxk h LYS 57 N -0.36 0.63 -0.70 0.00 1.57 -1.34 0.21 116.57 116.58 3gxk h LYS 57 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gxk h LYS 57 Cb 0.44 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3gxk h LYS 57 CO -0.20 0.49 0.46 -0.22 -0.57 0.00 0.00 179.45 179.41 3gxk h LYS 58 N 0.63 0.93 -0.01 3.15 3.64 -1.12 -3.29 116.57 120.49 3gxk h LYS 58 Ca 0.16 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3gxk h LYS 58 Cb 0.07 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3gxk h LYS 58 CO -0.02 0.62 -0.51 0.72 -2.27 0.00 0.00 179.45 178.00 3gxk n HIS 59 N -4.59 0.00 -3.48 1.91 8.25 -0.74 -5.00 115.22 111.58 3gxk n HIS 59 Ca 0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 3gxk n HIS 59 Cb 0.02 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.20 3gxk n HIS 59 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gxk n VAL 60 N -0.46 -6.38 -5.05 1.59 0.31 0.68 -5.02 118.33 104.00 3gxk n VAL 60 Ca 0.06 -0.75 -0.28 0.00 -0.01 0.00 0.00 64.34 63.36 3gxk n VAL 60 Cb 0.35 -5.00 -0.16 0.00 -0.91 0.00 0.00 33.84 28.12 3gxk n VAL 60 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gxk s VAL 61 N -3.46 1.71 0.21 2.52 1.01 -0.95 -5.06 120.40 116.37 3gxk s VAL 61 Ca 0.15 -0.90 -0.32 0.00 0.00 0.00 0.00 61.98 60.91 3gxk s VAL 61 Cb -0.03 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.81 3gxk s VAL 61 CO 0.77 0.48 1.68 -0.62 0.00 0.00 0.00 175.10 177.41 3gxk s ASP 62 N -0.34 6.42 0.38 3.32 -1.08 -1.26 -4.51 116.67 119.60 3gxk s ASP 62 Ca 0.04 2.82 0.09 0.00 -0.52 0.00 0.00 52.55 54.98 3gxk s ASP 62 Cb -0.10 -2.60 0.85 0.00 -1.46 0.00 0.00 42.92 39.61 3gxk s ASP 62 CO 0.01 -0.94 1.92 -0.65 0.52 0.00 0.00 175.17 176.03 3gxk h PRO 63 N 6.62 0.62 -0.10 4.34 0.11 -1.89 -0.64 132.00 141.07 3gxk h PRO 63 Ca -0.43 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3gxk h PRO 63 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3gxk h PRO 63 CO 0.93 0.41 -0.09 0.00 -0.21 0.00 0.00 178.00 179.05 3gxk h ALA 64 N 1.62 1.67 -0.44 -0.75 0.00 -1.89 -1.37 119.26 118.10 3gxk h ALA 64 Ca 0.36 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3gxk h ALA 64 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3gxk h ALA 64 CO -0.14 0.24 -0.08 0.28 0.00 0.00 0.00 179.25 179.55 3gxk h VAL 65 N 0.14 1.27 -0.73 0.00 2.07 -1.42 -0.09 116.25 117.49 3gxk h VAL 65 Ca 0.03 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 3gxk h VAL 65 Cb 0.25 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3gxk h VAL 65 CO 0.01 0.40 0.35 0.40 0.02 0.00 0.00 177.57 178.75 3gxk h ILE 66 N 0.67 1.24 -0.45 4.57 2.04 -1.27 -0.54 117.51 123.76 3gxk h ILE 66 Ca 0.11 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 3gxk h ILE 66 Cb 0.61 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3gxk h ILE 66 CO 0.04 0.28 -0.11 0.00 0.00 0.00 0.00 178.15 178.36 3gxk h ALA 67 N 1.17 0.95 -0.60 1.87 0.00 -1.12 -1.04 119.26 120.50 3gxk h ALA 67 Ca 0.25 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3gxk h ALA 67 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3gxk h ALA 67 CO -0.03 0.61 0.18 0.00 0.00 0.00 0.00 179.25 180.02 3gxk h ALA 68 N 1.13 0.78 -0.32 0.00 0.00 -0.62 0.22 119.26 120.45 3gxk h ALA 68 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3gxk h ALA 68 Cb 0.61 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gxk h ALA 68 CO 0.04 0.45 0.11 0.82 0.00 0.00 0.00 179.25 180.67 3gxk h ILE 69 N 0.85 1.20 -0.53 0.00 2.04 -0.81 -0.97 117.51 119.28 3gxk h ILE 69 Ca 0.19 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3gxk h ILE 69 Cb 0.29 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3gxk h ILE 69 CO -0.01 0.22 0.27 0.40 0.00 0.00 0.00 178.15 179.03 3gxk h ILE 70 N 0.37 0.96 0.03 -0.67 2.04 -0.94 0.57 117.51 119.86 3gxk h ILE 70 Ca 0.11 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3gxk h ILE 70 Cb 0.23 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3gxk h ILE 70 CO -0.00 0.10 -0.19 -1.28 0.00 0.00 0.00 178.15 176.77 3gxk h SER 71 N 0.53 -0.56 -0.34 1.72 0.87 -0.81 -1.33 113.55 113.63 3gxk h SER 71 Ca 0.23 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 3gxk h SER 71 Cb 0.13 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3gxk h SER 71 CO -0.16 -0.26 -0.09 -0.09 -0.53 0.00 0.00 176.83 175.70 3gxk h ARG 72 N -0.32 0.66 -0.05 2.24 9.65 -0.88 0.03 114.38 125.71 3gxk h ARG 72 Ca 0.05 -0.26 -0.17 0.00 -1.10 0.00 0.00 59.98 58.50 3gxk h ARG 72 Cb 0.39 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3gxk h ARG 72 CO -0.16 0.84 -0.63 0.93 2.80 0.00 0.00 179.97 183.75 3gxk h GLU 73 N 0.44 0.52 0.00 0.20 4.39 -0.90 -3.41 114.58 115.82 3gxk h GLU 73 Ca 0.08 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3gxk h GLU 73 Cb 0.60 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3gxk h GLU 73 CO 0.04 1.12 0.00 -1.13 -1.16 0.00 0.00 179.01 177.88 3gxk n SER 74 N -4.16 0.55 -3.93 1.42 3.41 -0.53 -4.92 113.62 105.47 3gxk n SER 74 Ca -0.09 -1.20 -0.29 0.00 -0.26 0.00 0.00 58.87 57.02 3gxk n SER 74 Cb 0.67 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.64 3gxk n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gxk n ARG 75 N -0.10 -4.89 -4.01 4.33 5.12 -0.00 -0.73 116.66 116.37 3gxk n ARG 75 Ca 0.00 0.55 -0.30 0.00 -1.93 0.00 0.00 57.85 56.17 3gxk n ARG 75 Cb 0.30 -5.30 -0.00 0.00 -1.16 0.00 0.00 32.46 26.30 3gxk n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gxk n ALA 76 N -4.55 -1.54 0.00 7.54 0.00 -1.05 -2.20 120.51 118.71 3gxk n ALA 76 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gxk n ALA 76 Cb 0.56 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.92 3gxk n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxk n GLY 77 N -1.66 2.82 0.26 0.00 0.00 0.09 -4.75 105.19 101.95 3gxk n GLY 77 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3gxk n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gxk h ASN 78 N 0.00 0.00 -0.08 1.61 -0.00 -0.81 0.17 115.58 116.47 3gxk h ASN 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3gxk h ASN 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3gxk h ASN 78 CO 0.00 0.10 0.00 1.33 -0.00 0.00 0.00 177.43 178.86 3gxk n VAL 79 N -3.26 0.13 0.00 2.57 0.24 -1.02 -4.61 118.33 112.38 3gxk n VAL 79 Ca 0.00 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3gxk n VAL 79 Cb 0.33 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 3gxk n VAL 79 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3gxk n ILE 80 N 0.89 0.00 0.29 1.34 -5.35 -0.83 -4.82 119.36 110.88 3gxk n ILE 80 Ca 0.10 -0.20 0.15 0.00 -0.27 0.00 0.00 62.75 62.54 3gxk n ILE 80 Cb 0.41 0.69 0.86 0.00 -1.74 0.00 0.00 39.64 39.86 3gxk n ILE 80 CO 0.00 0.00 0.00 2.19 -1.76 0.00 0.00 176.55 176.98 3gxk h PHE 81 N 0.00 0.00 -0.14 4.28 -5.15 -0.94 0.22 116.94 115.21 3gxk h PHE 81 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gxk h PHE 81 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3gxk h PHE 81 CO 0.00 0.06 0.00 0.27 -2.00 0.00 0.00 178.31 176.64 3gxk n ASN 82 N -3.57 2.65 -4.76 -0.68 0.23 -1.26 -4.66 115.26 103.20 3gxk n ASN 82 Ca -0.02 -2.40 -0.30 0.00 -0.53 0.00 0.00 54.58 51.33 3gxk n ASN 82 Cb 0.17 -0.25 0.11 0.00 -2.08 0.00 0.00 39.78 37.74 3gxk n ASN 82 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3gxk s THR 83 N -1.71 2.90 -0.24 5.53 -4.23 -1.15 -4.97 115.64 111.77 3gxk s THR 83 Ca 0.20 0.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 3gxk s THR 83 Cb 0.15 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 71.14 3gxk s THR 83 CO 0.06 -0.38 -0.06 -0.89 -0.54 0.00 0.00 174.62 172.81 3gxk s THR 84 N -3.04 1.64 0.90 3.99 2.01 -1.26 -2.20 115.64 117.67 3gxk s THR 84 Ca 0.62 -1.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 3gxk s THR 84 Cb -0.16 -1.88 0.13 0.00 0.01 0.00 0.00 72.50 70.60 3gxk s THR 84 CO 0.56 -0.09 1.10 -2.16 -0.69 0.00 0.00 174.62 173.33 3gxk s PRO 85 N 1.34 1.26 0.51 4.92 0.04 -1.26 -5.09 135.00 136.72 3gxk s PRO 85 Ca -0.06 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.45 3gxk s PRO 85 Cb -0.19 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3gxk s PRO 85 CO -0.06 -2.21 1.19 -2.14 0.04 0.00 0.00 177.00 173.83 3gxk s PRO 86 N -5.01 3.44 0.00 0.56 0.02 -0.94 -4.26 135.00 128.81 3gxk s PRO 86 Ca 0.63 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3gxk s PRO 86 Cb -0.17 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.14 3gxk s PRO 86 CO 0.56 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 3gxk n GLY 87 N 0.43 0.92 3.73 0.52 0.00 0.78 -4.79 105.19 106.77 3gxk n GLY 87 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3gxk n GLY 87 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gxk s TRP 88 N -2.00 3.21 0.00 1.61 0.52 -1.25 -0.32 118.94 120.71 3gxk s TRP 88 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 56.10 56.32 3gxk s TRP 88 Cb 0.00 -1.76 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 3gxk s TRP 88 CO 0.00 0.51 0.00 0.41 0.02 0.00 0.00 176.95 177.89 3gxk n GLY 89 N 1.71 3.90 3.96 0.98 0.00 0.55 -4.68 105.19 111.60 3gxk n GLY 89 Ca -0.16 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 3gxk n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gxk n ASP 90 N -1.42 -3.37 -2.85 1.61 2.03 -1.26 -0.99 116.55 110.29 3gxk n ASP 90 Ca 0.00 -1.17 -0.22 0.00 0.52 0.00 0.00 54.79 53.92 3gxk n ASP 90 Cb 0.00 -2.40 0.03 0.00 -0.72 0.00 0.00 41.12 38.03 3gxk n ASP 90 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gxk n ASN 91 N -2.52 -6.09 -1.09 1.67 3.02 -1.26 -1.44 115.26 107.55 3gxk n ASN 91 Ca -0.16 -0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.04 3gxk n ASN 91 Cb 0.60 -4.94 -0.04 0.00 -0.61 0.00 0.00 39.78 34.79 3gxk n ASN 91 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gxk n TYR 92 N -4.41 -0.14 -0.09 3.10 4.02 -0.95 -4.91 117.16 113.79 3gxk n TYR 92 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.64 3gxk n TYR 92 Cb 0.64 -2.44 -0.15 0.00 -0.02 0.00 0.00 39.34 37.36 3gxk n TYR 92 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3gxk n ASN 93 N -0.15 0.26 -4.78 7.72 5.03 -0.52 -4.93 115.26 117.88 3gxk n ASN 93 Ca -0.13 0.06 -0.36 0.00 0.87 0.00 0.00 54.58 55.02 3gxk n ASN 93 Cb 0.46 0.74 -0.08 0.00 -1.02 0.00 0.00 39.78 39.89 3gxk n ASN 93 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3gxk s GLY 94 N -5.48 2.01 -0.02 7.41 0.00 -0.16 -0.14 107.32 110.93 3gxk s GLY 94 Ca -0.10 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 43.94 3gxk s GLY 94 CO 0.82 -0.45 -0.16 -0.12 0.00 0.00 0.00 173.10 173.19 3gxk s PHE 95 N -0.91 1.46 0.00 1.90 5.36 -0.09 -0.33 117.98 125.37 3gxk s PHE 95 Ca 0.14 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 3gxk s PHE 95 Cb -0.12 -0.96 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 3gxk s PHE 95 CO 0.03 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.12 3gxk n GLY 96 N 2.90 0.83 0.33 13.12 0.00 0.57 -0.80 105.19 122.13 3gxk n GLY 96 Ca -0.16 -1.90 0.23 0.00 0.00 0.00 0.00 46.02 44.19 3gxk n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gxk h LEU 97 N 0.00 0.32 -2.21 0.99 3.38 -1.65 -1.91 115.31 114.23 3gxk h LEU 97 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gxk h LEU 97 Cb 0.00 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3gxk h LEU 97 CO 0.00 -0.23 0.00 0.23 0.09 0.00 0.00 178.44 178.53 3gxk n MET 98 N -5.16 2.12 -3.32 1.13 2.81 -1.26 -3.58 117.12 109.85 3gxk n MET 98 Ca 0.31 -1.97 -0.15 0.00 -1.81 0.00 0.00 57.70 54.08 3gxk n MET 98 Cb 1.00 -1.40 0.04 0.00 -0.71 0.00 0.00 33.22 32.15 3gxk n MET 98 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3gxk n GLN 99 N 1.10 -1.76 -1.81 0.03 1.13 -0.72 -4.95 117.38 110.40 3gxk n GLN 99 Ca 0.15 0.93 -0.42 0.00 -1.94 0.00 0.00 57.00 55.71 3gxk n GLN 99 Cb 0.50 -5.28 -0.03 0.00 0.11 0.00 0.00 30.24 25.54 3gxk n GLN 99 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxk s VAL 100 N -3.29 2.67 -0.22 5.09 1.01 0.02 -4.43 120.40 121.24 3gxk s VAL 100 Ca 0.33 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 3gxk s VAL 100 Cb -0.07 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 3gxk s VAL 100 CO 0.78 0.00 1.17 -0.62 0.00 0.00 0.00 175.10 176.43 3gxk s ASP 101 N 2.31 6.97 0.15 3.32 -1.08 -1.26 -0.91 116.67 126.17 3gxk s ASP 101 Ca 0.77 1.47 0.20 0.00 -0.52 0.00 0.00 52.55 54.47 3gxk s ASP 101 Cb -0.44 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.31 3gxk s ASP 101 CO 0.34 -0.77 1.62 2.29 0.52 0.00 0.00 175.17 179.17 3gxk n LYS 102 N 6.60 0.11 0.10 4.34 2.85 0.80 -2.09 118.16 130.88 3gxk n LYS 102 Ca 0.13 0.34 0.13 0.00 -1.05 0.00 0.00 58.31 57.86 3gxk n LYS 102 Cb 0.46 -1.71 0.43 0.00 -0.65 0.00 0.00 35.03 33.56 3gxk n LYS 102 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3gxk n ARG 103 N -1.92 0.23 0.00 -1.58 3.00 -1.26 -4.10 116.66 111.03 3gxk n ARG 103 Ca 0.03 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 3gxk n ARG 103 Cb 0.21 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 30.87 3gxk n ARG 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3gxk n TYR 104 N -2.21 0.00 -4.04 -1.55 4.01 -1.06 -5.08 117.16 107.23 3gxk n TYR 104 Ca 0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.71 3gxk n TYR 104 Cb 0.38 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.31 3gxk n TYR 104 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3gxk s HIS 105 N -0.60 0.41 -0.55 -0.72 3.76 -0.89 -5.08 115.29 111.63 3gxk s HIS 105 Ca 0.00 -0.86 -0.23 0.00 -0.15 0.00 0.00 55.06 53.83 3gxk s HIS 105 Cb 0.00 -0.31 0.05 0.00 1.11 0.00 0.00 32.58 33.43 3gxk s HIS 105 CO 0.00 -0.32 0.85 -2.00 -0.85 0.00 0.00 174.74 172.42 3gxk s GLU 106 N -3.08 3.25 0.17 1.40 -6.30 -1.26 -4.31 118.70 108.57 3gxk s GLU 106 Ca -0.01 -0.49 -0.32 0.00 -2.50 0.00 0.00 54.97 51.65 3gxk s GLU 106 Cb 0.02 -4.08 -0.11 0.00 0.00 0.00 0.00 34.13 29.96 3gxk s GLU 106 CO -0.07 -1.44 1.65 -2.14 0.02 0.00 0.00 175.26 173.29 3gxk s PRO 107 N 3.58 4.17 -0.09 4.30 0.02 -1.26 -4.98 135.00 140.73 3gxk s PRO 107 Ca 0.25 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.72 3gxk s PRO 107 Cb -0.15 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 3gxk s PRO 107 CO 0.16 -0.69 0.01 1.03 -0.33 0.00 0.00 177.00 177.18 3gxk s ARG 108 N 1.45 3.04 0.00 5.54 1.81 -1.26 -5.06 118.95 124.46 3gxk s ARG 108 Ca 0.73 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 54.35 3gxk s ARG 108 Cb -0.46 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.22 3gxk s ARG 108 CO 0.32 0.69 0.00 0.41 -0.68 0.00 0.00 175.30 176.04 3gxk n GLY 109 N 2.19 -0.67 3.74 -3.53 0.00 -1.26 -3.67 105.19 101.99 3gxk n GLY 109 Ca -0.19 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3gxk n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxk s ALA 110 N -2.26 2.10 0.55 4.61 0.00 -1.26 -4.86 121.76 120.64 3gxk s ALA 110 Ca 0.00 0.48 0.24 0.00 0.00 0.00 0.00 51.96 52.68 3gxk s ALA 110 Cb 0.00 -3.35 1.49 0.00 0.00 0.00 0.00 23.12 21.26 3gxk s ALA 110 CO 0.00 -1.91 2.12 0.11 0.00 0.00 0.00 175.76 176.08 3gxk h TRP 111 N -0.95 0.00 -0.32 0.00 5.08 -1.91 -2.57 115.95 115.28 3gxk h TRP 111 Ca -0.45 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.43 3gxk h TRP 111 Cb 1.25 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.35 3gxk h TRP 111 CO 0.54 0.00 -0.01 0.27 -1.28 0.00 0.00 178.44 177.96 3gxk n ASN 112 N -4.19 3.25 -4.93 0.11 6.94 -1.26 -1.84 115.26 113.33 3gxk n ASN 112 Ca 0.01 -3.36 -0.26 0.00 -0.02 0.00 0.00 54.58 50.95 3gxk n ASN 112 Cb 0.27 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 37.06 3gxk n ASN 112 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3gxk s SER 113 N -2.19 6.37 0.23 0.53 1.04 -0.97 -5.00 113.70 113.70 3gxk s SER 113 Ca 0.43 0.34 -0.07 0.00 0.48 0.00 0.00 55.95 57.14 3gxk s SER 113 Cb 0.37 -1.98 0.32 0.00 0.10 0.00 0.00 66.02 64.83 3gxk s SER 113 CO 0.05 -0.05 1.81 -0.08 0.98 0.00 0.00 173.24 175.95 3gxk h GLU 114 N 1.85 0.72 -0.74 4.02 4.81 -1.96 -2.00 114.58 121.29 3gxk h GLU 114 Ca -0.49 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 58.81 3gxk h GLU 114 Cb 1.20 -0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.34 3gxk h GLU 114 CO 0.67 0.48 0.36 1.49 -0.73 0.00 0.00 179.01 181.27 3gxk h GLU 115 N 0.74 0.56 -0.31 1.92 4.81 -1.91 0.12 114.58 120.52 3gxk h GLU 115 Ca 0.35 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3gxk h GLU 115 Cb 0.28 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3gxk h GLU 115 CO -0.22 0.37 -0.04 1.25 -0.73 0.00 0.00 179.01 179.64 3gxk h HIS 116 N 0.58 0.64 -0.53 0.92 2.76 -1.53 -1.85 115.15 116.14 3gxk h HIS 116 Ca 0.37 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 3gxk h HIS 116 Cb 0.44 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 3gxk h HIS 116 CO -0.12 0.74 -0.00 0.82 -1.30 0.00 0.00 177.93 178.07 3gxk h ILE 117 N 0.36 1.25 0.11 6.26 2.04 -0.78 -0.87 117.51 125.88 3gxk h ILE 117 Ca 0.08 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.88 3gxk h ILE 117 Cb 0.51 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3gxk h ILE 117 CO 0.02 0.38 -0.13 -0.78 0.00 0.00 0.00 178.15 177.64 3gxk h ASP 118 N 0.84 -0.36 -0.22 1.72 3.58 -0.71 -1.24 116.42 120.02 3gxk h ASP 118 Ca 0.16 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.70 3gxk h ASP 118 Cb 0.50 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.63 3gxk h ASP 118 CO 0.02 -0.20 -0.12 -0.61 -2.88 0.00 0.00 179.24 175.45 3gxk h GLN 119 N -0.29 -0.10 -0.98 0.28 4.15 -0.92 -0.79 115.11 116.47 3gxk h GLN 119 Ca 0.01 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.46 3gxk h GLN 119 Cb 0.28 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 3gxk h GLN 119 CO -0.05 -0.06 0.64 0.00 -1.93 0.00 0.00 178.83 177.43 3gxk h ALA 120 N 1.08 1.26 -0.37 3.38 0.00 -1.04 -1.77 119.26 121.80 3gxk h ALA 120 Ca 0.12 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3gxk h ALA 120 Cb 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gxk h ALA 120 CO -0.29 0.59 -0.40 1.15 0.00 0.00 0.00 179.25 180.30 3gxk h THR 121 N 1.29 1.27 -0.80 0.00 2.02 -0.90 -1.69 112.91 114.10 3gxk h THR 121 Ca 0.37 -1.57 0.04 0.00 0.77 0.00 0.00 66.41 66.01 3gxk h THR 121 Cb -0.09 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 3gxk h THR 121 CO -0.10 0.52 0.51 1.23 0.37 0.00 0.00 175.52 178.05 3gxk h GLY 122 N 0.81 1.17 1.31 2.16 0.00 -0.78 -1.35 103.07 106.37 3gxk h GLY 122 Ca 0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3gxk h GLY 122 CO 0.10 0.32 0.18 -2.22 0.00 0.00 0.00 176.54 174.91 3gxk h ILE 123 N 0.98 1.23 -0.32 2.60 2.04 -0.93 -2.07 117.51 121.04 3gxk h ILE 123 Ca 0.32 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.43 3gxk h ILE 123 Cb 0.03 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3gxk h ILE 123 CO -0.12 0.30 0.15 0.25 0.00 0.00 0.00 178.15 178.73 3gxk h LEU 124 N 0.85 0.23 -1.14 1.44 5.85 -0.81 -1.64 115.31 120.09 3gxk h LEU 124 Ca 0.19 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.02 3gxk h LEU 124 Cb 0.25 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3gxk h LEU 124 CO -0.01 0.17 0.60 0.58 -0.34 0.00 0.00 178.44 179.44 3gxk h VAL 125 N 0.32 1.00 -0.50 1.05 2.07 -0.96 -0.24 116.25 119.00 3gxk h VAL 125 Ca 0.13 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3gxk h VAL 125 Cb 0.05 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 3gxk h VAL 125 CO -0.10 0.18 0.29 0.78 0.02 0.00 0.00 177.57 178.74 3gxk h ASN 126 N 0.97 0.47 -0.38 0.57 2.35 -0.73 -1.60 115.58 117.22 3gxk h ASN 126 Ca 0.42 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 56.10 3gxk h ASN 126 Cb 0.35 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3gxk h ASN 126 CO -0.18 0.33 -0.05 -0.26 -1.65 0.00 0.00 177.43 175.62 3gxk h PHE 127 N 0.58 0.86 -0.34 1.19 0.04 -0.52 -1.52 116.94 117.23 3gxk h PHE 127 Ca 0.20 -0.14 0.03 0.00 2.80 0.00 0.00 57.97 60.86 3gxk h PHE 127 Cb 0.03 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 3gxk h PHE 127 CO -0.07 0.82 0.15 0.82 -0.60 0.00 0.00 178.31 179.43 3gxk h ILE 128 N 0.73 0.95 -0.83 -0.55 2.04 -0.60 -1.35 117.51 117.91 3gxk h ILE 128 Ca 0.13 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3gxk h ILE 128 Cb 0.52 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3gxk h ILE 128 CO 0.03 0.06 0.52 1.56 0.00 0.00 0.00 178.15 180.32 3gxk h GLN 129 N 0.31 1.11 -0.31 2.37 4.20 -1.08 -0.86 115.11 120.85 3gxk h GLN 129 Ca 0.15 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3gxk h GLN 129 Cb 0.09 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3gxk h GLN 129 CO -0.12 0.76 0.09 -0.07 -0.67 0.00 0.00 178.83 178.82 3gxk h LEU 130 N 1.13 0.46 -0.69 1.46 3.38 -1.12 -1.81 115.31 118.12 3gxk h LEU 130 Ca 0.30 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3gxk h LEU 130 Cb -0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3gxk h LEU 130 CO -0.06 0.55 0.09 0.40 0.09 0.00 0.00 178.44 179.51 3gxk h ILE 131 N 0.35 1.26 -0.87 1.22 1.08 -1.13 -0.71 117.51 118.71 3gxk h ILE 131 Ca 0.10 -1.06 0.09 0.00 -0.39 0.00 0.00 64.86 63.60 3gxk h ILE 131 Cb 0.26 0.67 -0.07 0.00 -3.07 0.00 0.00 36.82 34.60 3gxk h ILE 131 CO -0.00 0.40 0.52 1.56 -0.69 0.00 0.00 178.15 179.94 3gxk h GLN 132 N 1.02 0.87 -0.38 2.37 4.20 -1.08 0.78 115.11 122.88 3gxk h GLN 132 Ca 0.20 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 3gxk h GLN 132 Cb 0.46 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3gxk h GLN 132 CO 0.02 0.57 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.48 3gxk h LYS 133 N 0.89 0.70 -0.11 1.46 3.64 -0.99 -3.21 116.57 118.96 3gxk h LYS 133 Ca 0.41 -0.25 -0.19 0.00 -1.27 0.00 0.00 60.65 59.36 3gxk h LYS 133 Cb 0.33 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3gxk h LYS 133 CO -0.23 0.83 -0.71 -0.22 -2.27 0.00 0.00 179.45 176.85 3gxk h LYS 134 N 0.51 0.49 -2.20 1.90 3.64 -0.68 -3.37 116.57 116.86 3gxk h LYS 134 Ca 0.10 -0.38 -0.59 0.00 -1.27 0.00 0.00 60.65 58.51 3gxk h LYS 134 Cb 0.54 0.08 -0.41 0.00 -0.41 0.00 0.00 32.23 32.03 3gxk h LYS 134 CO 0.03 1.01 -0.77 1.19 -2.27 0.00 0.00 179.45 178.64 3gxk n PHE 135 N -3.87 2.13 0.38 1.91 3.72 0.23 -4.94 117.46 117.02 3gxk n PHE 135 Ca -0.05 -3.94 0.14 0.00 -0.05 0.00 0.00 57.45 53.55 3gxk n PHE 135 Cb 0.70 -0.46 0.52 0.00 -0.94 0.00 0.00 39.48 39.30 3gxk n PHE 135 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gxk h PRO 136 N 4.26 0.00 0.00 -1.08 0.13 -1.73 -2.41 132.00 131.17 3gxk h PRO 136 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gxk h PRO 136 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3gxk h PRO 136 CO 0.69 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.12 3gxk h SER 137 N 0.00 0.00 -4.09 1.44 4.64 -1.92 -3.47 113.55 110.15 3gxk h SER 137 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3gxk h SER 137 Cb 0.49 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.66 3gxk h SER 137 CO 0.00 0.00 0.43 0.26 -0.87 0.00 0.00 176.83 176.65 3gxk s TRP 138 N -3.19 2.63 0.88 4.77 0.52 -0.91 -5.04 118.94 118.61 3gxk s TRP 138 Ca 0.08 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.63 3gxk s TRP 138 Cb 0.10 -3.31 0.12 0.00 -1.15 0.00 0.00 33.47 29.23 3gxk s TRP 138 CO 0.60 -1.66 1.10 -1.54 0.02 0.00 0.00 176.95 175.46 3gxk s SER 139 N -1.80 3.53 0.49 2.95 1.04 -1.26 -4.80 113.70 113.85 3gxk s SER 139 Ca 0.73 1.72 0.18 0.00 0.48 0.00 0.00 55.95 59.06 3gxk s SER 139 Cb -0.24 -2.36 1.21 0.00 0.10 0.00 0.00 66.02 64.72 3gxk s SER 139 CO 0.28 -2.64 2.06 0.71 0.98 0.00 0.00 173.24 174.64 3gxk h THR 140 N -1.55 0.96 -0.18 2.02 1.35 -1.98 0.23 112.91 113.76 3gxk h THR 140 Ca -0.47 -0.44 -0.08 0.00 -0.55 0.00 0.00 66.41 64.87 3gxk h THR 140 Cb 1.27 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3gxk h THR 140 CO 0.51 0.12 -0.19 -0.33 -0.25 0.00 0.00 175.52 175.38 3gxk h GLU 141 N 0.00 0.45 -0.67 4.72 3.07 -1.92 -1.25 114.58 118.98 3gxk h GLU 141 Ca -0.00 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.55 3gxk h GLU 141 Cb 0.23 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 3gxk h GLU 141 CO 0.02 0.81 0.14 1.96 -1.40 0.00 0.00 179.01 180.54 3gxk h GLN 142 N 0.10 1.08 -0.65 2.33 4.20 -1.81 -2.54 115.11 117.81 3gxk h GLN 142 Ca 0.03 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 3gxk h GLN 142 Cb 0.73 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3gxk h GLN 142 CO 0.05 0.96 0.27 1.96 -0.67 0.00 0.00 178.83 181.40 3gxk h GLN 143 N 1.02 0.97 -0.31 1.46 4.20 -0.92 -0.69 115.11 120.84 3gxk h GLN 143 Ca 0.21 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.80 3gxk h GLN 143 Cb 0.39 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 3gxk h GLN 143 CO 0.01 0.81 -0.01 1.25 -0.67 0.00 0.00 178.83 180.21 3gxk h LEU 144 N 0.92 -0.14 -0.13 1.46 5.85 -1.11 0.92 115.31 123.08 3gxk h LEU 144 Ca 0.22 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3gxk h LEU 144 Cb 0.19 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3gxk h LEU 144 CO -0.02 -0.04 -0.04 0.50 -0.34 0.00 0.00 178.44 178.50 3gxk h LYS 145 N 0.08 -0.02 -0.75 1.25 3.64 -1.26 -0.88 116.57 118.64 3gxk h LYS 145 Ca 0.15 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3gxk h LYS 145 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3gxk h LYS 145 CO -0.26 -0.01 0.45 0.78 -2.27 0.00 0.00 179.45 178.14 3gxk h GLY 146 N -0.02 1.08 1.49 5.01 0.00 -0.91 -1.68 103.07 108.04 3gxk h GLY 146 Ca 0.07 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 3gxk h GLY 146 CO -0.15 0.43 -0.43 0.00 0.00 0.00 0.00 176.54 176.40 3gxk h ALA 147 N 1.46 0.83 -0.59 3.60 0.00 -0.30 -0.53 119.26 123.73 3gxk h ALA 147 Ca 0.27 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3gxk h ALA 147 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gxk h ALA 147 CO -0.05 0.65 -0.03 0.82 0.00 0.00 0.00 179.25 180.64 3gxk h ILE 148 N 0.46 1.27 -0.42 0.00 2.04 -0.72 -0.22 117.51 119.92 3gxk h ILE 148 Ca 0.03 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 3gxk h ILE 148 Cb 0.94 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3gxk h ILE 148 CO 0.08 0.43 0.08 0.00 0.00 0.00 0.00 178.15 178.74 3gxk h ALA 149 N 0.99 0.55 -0.82 1.87 0.00 -0.98 -2.66 119.26 118.22 3gxk h ALA 149 Ca 0.17 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gxk h ALA 149 Cb 0.59 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3gxk h ALA 149 CO 0.04 0.25 0.54 0.00 0.00 0.00 0.00 179.25 180.08 3gxk h ALA 150 N 0.94 1.48 -0.98 0.00 0.00 -0.91 -0.12 119.26 119.67 3gxk h ALA 150 Ca 0.13 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.20 3gxk h ALA 150 Cb 0.35 -0.30 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 3gxk h ALA 150 CO 0.01 0.45 0.62 -0.92 0.00 0.00 0.00 179.25 179.40 3gxk h TYR 151 N 1.04 0.86 0.18 0.00 3.20 -0.68 0.63 116.97 122.20 3gxk h TYR 151 Ca 0.32 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.91 3gxk h TYR 151 Cb -0.01 -0.26 0.02 0.00 1.54 0.00 0.00 36.73 38.02 3gxk h TYR 151 CO -0.00 0.18 -1.45 -0.97 -1.64 0.00 0.00 178.16 174.29 3gxk h ASN 152 N 0.61 0.60 0.00 -2.11 -0.73 -1.08 -3.43 115.58 109.45 3gxk h ASN 152 Ca 0.55 -0.92 0.00 0.00 1.87 0.00 0.00 56.30 57.80 3gxk h ASN 152 Cb 1.07 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.46 3gxk h ASN 152 CO -0.31 1.67 0.00 1.07 -0.37 0.00 0.00 177.43 179.49 3gxk n THR 153 N -3.79 0.00 0.00 -3.57 5.66 -0.20 -4.90 114.28 107.48 3gxk n THR 153 Ca -0.21 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 3gxk n THR 153 Cb 1.00 1.06 0.00 0.00 -1.55 0.00 0.00 70.33 70.84 3gxk n THR 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gxk n GLY 154 N 0.57 0.89 0.22 1.09 0.00 0.22 -4.40 105.19 103.77 3gxk n GLY 154 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.44 3gxk n GLY 154 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gxk h ASP 155 N 0.00 0.18 -0.95 1.61 2.03 -1.93 -2.63 116.42 114.72 3gxk h ASP 155 Ca 0.00 -0.05 0.20 0.00 -0.73 0.00 0.00 57.03 56.45 3gxk h ASP 155 Cb 0.00 -0.05 -0.11 0.00 -0.83 0.00 0.00 39.33 38.34 3gxk h ASP 155 CO 0.00 0.45 0.53 1.23 -1.03 0.00 0.00 179.24 180.42 3gxk h GLY 156 N 0.96 1.69 -1.66 7.15 0.00 -1.96 -1.82 103.07 107.44 3gxk h GLY 156 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3gxk h GLY 156 CO 0.04 -0.15 0.00 0.54 0.00 0.00 0.00 176.54 176.97 3gxk n ARG 157 N -4.88 2.06 -3.38 4.80 1.74 -0.99 -4.63 116.66 111.38 3gxk n ARG 157 Ca 0.23 -1.61 -0.44 0.00 -0.77 0.00 0.00 57.85 55.26 3gxk n ARG 157 Cb 0.61 -1.36 -0.08 0.00 -1.02 0.00 0.00 32.46 30.61 3gxk n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gxk s VAL 158 N -1.42 5.21 -0.22 1.55 1.01 -0.68 -4.59 120.40 121.25 3gxk s VAL 158 Ca 0.30 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.43 3gxk s VAL 158 Cb 0.16 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 32.21 3gxk s VAL 158 CO 0.20 -0.56 -0.05 -0.62 0.00 0.00 0.00 175.10 174.07 3gxk n GLU 159 N 5.28 0.67 -3.81 2.72 1.02 -1.26 -5.01 120.64 120.25 3gxk n GLU 159 Ca -0.12 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 3gxk n GLU 159 Cb 0.44 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 3gxk n GLU 159 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gxk s SER 160 N -6.01 -0.25 0.04 1.62 1.04 -1.26 -5.04 113.70 103.84 3gxk s SER 160 Ca -0.22 -0.58 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 3gxk s SER 160 Cb 0.07 0.64 -0.17 0.00 0.10 0.00 0.00 66.02 66.66 3gxk s SER 160 CO 0.72 -1.17 1.51 0.22 0.98 0.00 0.00 173.24 175.50 3gxk h TYR 161 N 2.12 -0.17 0.00 5.02 3.20 -1.98 -1.63 116.97 123.53 3gxk h TYR 161 Ca -0.25 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.59 3gxk h TYR 161 Cb 1.26 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.58 3gxk h TYR 161 CO 0.38 0.05 -0.12 0.93 -1.64 0.00 0.00 178.16 177.76 3gxk h GLU 162 N -0.37 0.00 -0.44 1.82 5.08 -2.04 -2.24 114.58 116.39 3gxk h GLU 162 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3gxk h GLU 162 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3gxk h GLU 162 CO 0.03 0.12 0.06 -1.13 -1.00 0.00 0.00 179.01 177.09 3gxk n SER 163 N -4.23 4.26 -0.35 1.42 3.41 -1.18 -4.77 113.62 112.18 3gxk n SER 163 Ca -0.03 -3.15 0.12 0.00 -0.26 0.00 0.00 58.87 55.56 3gxk n SER 163 Cb 0.20 -0.63 0.31 0.00 -0.26 0.00 0.00 64.21 63.83 3gxk n SER 163 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3gxk h VAL 164 N 2.28 0.71 -0.54 -3.33 3.04 -0.65 -1.07 116.25 116.69 3gxk h VAL 164 Ca 0.09 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3gxk h VAL 164 Cb 1.78 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3gxk h VAL 164 CO 0.41 0.14 0.00 0.47 -1.01 0.00 0.00 177.57 177.58 3gxk n ASP 165 N -4.77 3.64 0.29 3.17 8.00 -1.26 -4.58 116.55 121.03 3gxk n ASP 165 Ca 0.23 -1.99 0.17 0.00 0.71 0.00 0.00 54.79 53.92 3gxk n ASP 165 Cb 0.56 -0.35 0.86 0.00 -0.02 0.00 0.00 41.12 42.16 3gxk n ASP 165 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3gxk h SER 166 N 4.22 0.00 -0.24 -2.24 4.64 -1.46 -2.17 113.55 116.30 3gxk h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gxk h SER 166 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3gxk h SER 166 CO 0.00 0.05 0.00 -1.14 -0.87 0.00 0.00 176.83 174.87 3gxk n ARG 167 N -3.28 1.98 -3.16 4.77 3.00 -1.26 -4.81 116.66 113.89 3gxk n ARG 167 Ca -0.01 -1.86 -0.23 0.00 -0.00 0.00 0.00 57.85 55.74 3gxk n ARG 167 Cb 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.32 3gxk n ARG 167 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3gxk s THR 168 N -1.22 4.51 0.21 5.15 -4.23 -0.81 -4.86 115.64 114.38 3gxk s THR 168 Ca 0.26 -0.48 -0.32 0.00 -1.18 0.00 0.00 61.69 59.98 3gxk s THR 168 Cb 0.16 -3.65 -0.15 0.00 1.34 0.00 0.00 72.50 70.20 3gxk s THR 168 CO 0.22 -0.44 1.26 0.41 -0.54 0.00 0.00 174.62 175.52 3gxk n THR 169 N -1.94 1.00 -0.49 3.99 -1.04 -1.26 -1.29 114.28 113.24 3gxk n THR 169 Ca -0.01 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3gxk n THR 169 Cb 0.57 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 3gxk n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gxk n GLY 170 N 2.00 0.72 2.84 3.41 0.00 -1.26 -3.32 105.19 109.57 3gxk n GLY 170 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 3gxk n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gxk n LYS 171 N -2.00 -3.24 -0.14 1.61 4.76 -0.42 -4.58 118.16 114.16 3gxk n LYS 171 Ca 0.00 0.74 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 3gxk n LYS 171 Cb 0.00 -5.46 0.00 0.00 -1.84 0.00 0.00 35.03 27.73 3gxk n LYS 171 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3gxk n ASP 172 N -2.18 0.00 0.20 4.39 5.75 -1.21 -4.66 116.55 118.83 3gxk n ASP 172 Ca -0.12 -1.07 -0.15 0.00 -0.01 0.00 0.00 54.79 53.44 3gxk n ASP 172 Cb 0.61 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.61 3gxk n ASP 172 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3gxk h TYR 173 N 0.00 -0.61 -0.22 2.11 3.20 -1.83 0.76 116.97 120.38 3gxk h TYR 173 Ca 0.00 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 3gxk h TYR 173 Cb 1.03 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 3gxk h TYR 173 CO -0.05 -0.35 -0.45 0.66 -1.64 0.00 0.00 178.16 176.32 3gxk h SER 174 N -0.55 0.60 -0.33 -2.11 4.64 -1.87 -1.16 113.55 112.78 3gxk h SER 174 Ca -0.03 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3gxk h SER 174 Cb 0.47 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3gxk h SER 174 CO 0.00 0.97 0.20 0.78 -0.87 0.00 0.00 176.83 177.92 3gxk h ASN 175 N 0.45 0.34 0.51 4.97 4.21 -1.77 -0.84 115.58 123.45 3gxk h ASN 175 Ca 0.03 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 3gxk h ASN 175 Cb 0.97 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 3gxk h ASN 175 CO 0.09 0.25 -0.24 -0.78 -1.29 0.00 0.00 177.43 175.45 3gxk h ASP 176 N 0.42 -0.58 -0.66 5.81 3.58 -0.74 -2.35 116.42 121.90 3gxk h ASP 176 Ca 0.13 -0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.63 3gxk h ASP 176 Cb -0.02 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.11 3gxk h ASP 176 CO -0.05 -0.29 0.28 0.58 -2.88 0.00 0.00 179.24 176.88 3gxk h VAL 177 N -0.85 0.79 -0.46 2.25 2.07 -1.18 0.71 116.25 119.58 3gxk h VAL 177 Ca -0.07 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3gxk h VAL 177 Cb 0.59 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3gxk h VAL 177 CO 0.11 0.09 0.26 0.58 0.02 0.00 0.00 177.57 178.63 3gxk h VAL 178 N 0.49 1.16 -0.56 2.57 2.07 -1.13 0.15 116.25 120.99 3gxk h VAL 178 Ca 0.33 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gxk h VAL 178 Cb 0.40 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3gxk h VAL 178 CO -0.30 0.16 0.30 0.00 0.02 0.00 0.00 177.57 177.75 3gxk h ALA 179 N 1.11 0.72 -0.70 1.67 0.00 -0.75 0.45 119.26 121.76 3gxk h ALA 179 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gxk h ALA 179 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3gxk h ALA 179 CO -0.03 0.25 0.19 0.00 0.00 0.00 0.00 179.25 179.66 3gxk h ARG 180 N 0.76 1.11 -0.55 0.00 3.08 -0.66 -2.18 114.38 115.93 3gxk h ARG 180 Ca 0.20 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3gxk h ARG 180 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3gxk h ARG 180 CO -0.03 0.97 0.19 0.00 -1.07 0.00 0.00 179.97 180.03 3gxk h ALA 181 N 1.09 0.72 -0.75 0.04 0.00 0.12 -1.27 119.26 119.20 3gxk h ALA 181 Ca 0.22 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3gxk h ALA 181 Cb 0.34 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3gxk h ALA 181 CO -0.00 0.37 0.43 1.96 0.00 0.00 0.00 179.25 182.01 3gxk h GLN 182 N 0.76 0.75 0.09 0.00 4.20 -0.78 -0.63 115.11 119.50 3gxk h GLN 182 Ca 0.18 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3gxk h GLN 182 Cb 0.26 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3gxk h GLN 182 CO -0.01 0.50 -0.23 2.35 -0.67 0.00 0.00 178.83 180.77 3gxk h TRP 183 N 0.77 -0.61 -0.75 2.96 7.01 -0.91 -3.06 115.95 121.35 3gxk h TRP 183 Ca 0.35 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.45 3gxk h TRP 183 Cb 0.24 0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.51 3gxk h TRP 183 CO -0.07 -0.33 0.49 1.88 -2.79 0.00 0.00 178.44 177.63 3gxk h TYR 184 N -0.41 0.73 -0.59 2.65 0.05 -0.76 -2.08 116.97 116.57 3gxk h TYR 184 Ca 0.04 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3gxk h TYR 184 Cb 0.45 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 3gxk h TYR 184 CO -0.23 0.36 0.30 -0.22 -1.05 0.00 0.00 178.16 177.32 3gxk h LYS 185 N 0.70 0.82 -0.01 4.88 1.63 -1.05 -0.67 116.57 122.87 3gxk h LYS 185 Ca 0.34 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3gxk h LYS 185 Cb 0.41 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3gxk h LYS 185 CO -0.12 0.62 -0.14 1.63 -3.45 0.00 0.00 179.45 177.98 3gxk n LYS 186 N -4.37 0.94 -2.51 1.90 5.02 -0.83 -4.33 118.16 113.97 3gxk n LYS 186 Ca 0.05 -0.46 -0.16 0.00 -2.02 0.00 0.00 58.31 55.72 3gxk n LYS 186 Cb 0.11 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 3gxk n LYS 186 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gxk n ASN 187 N -0.62 3.15 0.00 4.39 3.02 -0.56 -4.97 115.26 119.66 3gxk n ASN 187 Ca 0.15 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 3gxk n ASN 187 Cb 0.31 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3gxk n ASN 187 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gxk n GLY 188 N -0.42 0.61 0.23 7.41 0.00 -1.07 -4.89 105.19 107.05 3gxk n GLY 188 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.29 3gxk n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01