#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxk n TYR 5 N 0.00 0.19 0.00 1.61 4.01 -1.26 -5.07 117.16 116.64 3gxk n TYR 5 Ca 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3gxk n TYR 5 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3gxk n TYR 5 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gxk n GLY 6 N 1.28 2.95 3.25 2.72 0.00 -1.26 -4.39 105.19 109.74 3gxk n GLY 6 Ca 0.17 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 3gxk n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gxk s ASP 7 N 0.00 5.56 0.51 1.61 -1.08 -1.26 -4.98 116.67 117.02 3gxk s ASP 7 Ca 0.00 -1.53 0.28 0.00 -0.52 0.00 0.00 52.55 50.78 3gxk s ASP 7 Cb 0.00 -1.96 1.38 0.00 -1.46 0.00 0.00 42.92 40.89 3gxk s ASP 7 CO 0.00 -0.52 1.87 -0.29 0.52 0.00 0.00 175.17 176.75 3gxk h ILE 8 N 6.12 0.57 0.00 4.11 6.09 -1.98 0.27 117.51 132.69 3gxk h ILE 8 Ca -0.22 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 3gxk h ILE 8 Cb 1.08 0.45 0.00 0.00 0.47 0.00 0.00 36.82 38.82 3gxk h ILE 8 CO 0.74 0.02 0.00 0.35 -3.07 0.00 0.00 178.15 176.18 3gxk n THR 9 N -4.34 0.55 0.04 2.19 -2.24 -1.26 -2.74 114.28 106.49 3gxk n THR 9 Ca 0.19 0.07 0.06 0.00 -2.27 0.00 0.00 64.05 62.10 3gxk n THR 9 Cb 0.92 -0.78 0.12 0.00 -2.10 0.00 0.00 70.33 68.49 3gxk n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gxk n GLN 10 N -1.75 2.09 -2.56 -0.78 6.02 0.94 -4.98 117.38 116.36 3gxk n GLN 10 Ca 0.05 -1.77 -0.41 0.00 -0.01 0.00 0.00 57.00 54.86 3gxk n GLN 10 Cb 0.28 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.25 3gxk n GLN 10 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gxk s VAL 11 N -0.99 4.10 0.12 5.09 1.01 -1.11 -4.95 120.40 123.68 3gxk s VAL 11 Ca 0.20 1.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 3gxk s VAL 11 Cb 0.11 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3gxk s VAL 11 CO 0.16 0.24 1.00 -0.70 0.00 0.00 0.00 175.10 175.81 3gxk s GLU 12 N 0.08 4.66 -0.04 2.72 2.12 -1.26 -5.01 118.70 121.96 3gxk s GLU 12 Ca 0.51 1.52 -0.07 0.00 0.36 0.00 0.00 54.97 57.30 3gxk s GLU 12 Cb -0.27 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.77 3gxk s GLU 12 CO 0.32 0.15 0.16 -0.08 -0.54 0.00 0.00 175.26 175.27 3gxk s THR 13 N 0.04 0.03 -1.37 -1.70 -1.32 -1.26 -4.95 115.64 105.12 3gxk s THR 13 Ca 0.48 -0.25 0.15 0.00 -1.21 0.00 0.00 61.69 60.87 3gxk s THR 13 Cb -0.25 -0.32 0.41 0.00 -1.51 0.00 0.00 72.50 70.83 3gxk s THR 13 CO 0.31 -0.14 1.34 -1.54 -2.21 0.00 0.00 174.62 172.38 3gxk n SER 14 N 2.42 3.24 0.00 8.08 3.41 -1.26 -4.90 113.62 124.61 3gxk n SER 14 Ca -0.16 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3gxk n SER 14 Cb 0.58 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.94 0.67 3.76 5.00 0.00 -1.24 -3.69 105.19 110.64 3gxk n GLY 15 Ca 0.16 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.88 3.47 0.81 4.61 0.00 -0.98 -3.60 121.76 124.20 3gxk s ALA 16 Ca 0.00 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 3gxk s ALA 16 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.77 3gxk s ALA 16 CO 0.00 -0.48 1.10 -1.54 0.00 0.00 0.00 175.76 174.84 3gxk s SER 17 N -0.49 4.10 0.27 0.00 1.04 -1.26 -0.31 113.70 117.04 3gxk s SER 17 Ca 0.49 1.90 -0.01 0.00 0.48 0.00 0.00 55.95 58.80 3gxk s SER 17 Cb -0.37 -2.52 0.47 0.00 0.10 0.00 0.00 66.02 63.70 3gxk s SER 17 CO 0.47 -2.30 1.83 0.77 0.98 0.00 0.00 173.24 174.99 3gxk h SER 18 N -1.32 0.86 -0.06 7.02 4.64 -1.93 -0.23 113.55 122.53 3gxk h SER 18 Ca -0.44 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 60.95 3gxk h SER 18 Cb 1.24 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 3gxk h SER 18 CO 0.49 0.48 -0.11 0.50 -0.87 0.00 0.00 176.83 177.32 3gxk h LYS 19 N 0.95 -0.15 -0.28 4.77 3.64 -1.92 -1.02 116.57 122.56 3gxk h LYS 19 Ca 0.45 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.72 3gxk h LYS 19 Cb 0.39 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3gxk h LYS 19 CO -0.24 -0.10 -0.34 0.00 -2.27 0.00 0.00 179.45 176.49 3gxk h THR 20 N -0.16 1.29 0.00 1.00 1.03 -1.79 -3.06 112.91 111.22 3gxk h THR 20 Ca 0.06 -1.48 -0.04 0.00 -0.01 0.00 0.00 66.41 64.94 3gxk h THR 20 Cb 0.24 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.77 3gxk h THR 20 CO -0.16 0.47 -0.20 0.77 -0.01 0.00 0.00 175.52 176.40 3gxk h SER 21 N 0.52 0.00 -0.09 0.00 4.64 -0.56 -1.90 113.55 116.16 3gxk h SER 21 Ca 0.06 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3gxk h SER 21 Cb 0.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3gxk h SER 21 CO 0.07 0.20 0.18 -0.09 -0.87 0.00 0.00 176.83 176.32 3gxk h ARG 22 N 0.00 0.00 -0.30 4.77 2.43 -1.09 -1.99 114.38 118.20 3gxk h ARG 22 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3gxk h ARG 22 Cb 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3gxk h ARG 22 CO 0.03 0.00 0.12 1.96 -1.51 0.00 0.00 179.97 180.57 3gxk h GLN 23 N 0.00 0.42 -0.53 0.20 4.20 -1.48 -1.51 115.11 116.41 3gxk h GLN 23 Ca 0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gxk h GLN 23 Cb 0.41 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3gxk h GLN 23 CO -0.00 0.36 0.00 -0.25 -0.67 0.00 0.00 178.83 178.26 3gxk n ASP 24 N -4.41 5.27 -3.81 1.46 10.43 -0.77 -4.93 116.55 119.79 3gxk n ASP 24 Ca 0.01 -2.86 -0.26 0.00 2.57 0.00 0.00 54.79 54.25 3gxk n ASP 24 Cb 0.13 -0.64 0.03 0.00 1.84 0.00 0.00 41.12 42.48 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 0.52 -5.33 -3.32 -1.24 5.02 -0.57 -4.95 118.16 108.29 3gxk n LYS 25 Ca 0.26 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.78 3gxk n LYS 25 Cb 1.10 -5.35 -0.06 0.00 -0.02 0.00 0.00 35.03 30.69 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 -7.01 4.44 -0.01 -0.35 1.43 -1.06 -4.98 118.68 111.15 3gxk s LEU 26 Ca 0.35 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.61 3gxk s LEU 26 Cb -0.18 -2.79 0.22 0.00 0.03 0.00 0.00 46.19 43.48 3gxk s LEU 26 CO 0.82 0.20 1.16 -1.84 0.23 0.00 0.00 176.35 176.92 3gxk n GLU 27 N 2.35 1.63 -4.13 1.70 0.28 -1.26 -4.47 120.64 116.74 3gxk n GLU 27 Ca -0.10 -0.91 -0.10 0.00 -0.16 0.00 0.00 57.16 55.89 3gxk n GLU 27 Cb 0.51 -1.24 -0.09 0.00 1.43 0.00 0.00 31.44 32.05 3gxk n GLU 27 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 3gxk s TYR 28 N -1.66 0.87 0.00 -1.84 -0.85 -1.26 -5.18 117.35 107.42 3gxk s TYR 28 Ca 0.17 -1.19 0.00 0.00 -0.52 0.00 0.00 57.07 55.53 3gxk s TYR 28 Cb 0.09 -0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.03 3gxk s TYR 28 CO 0.11 -0.62 0.00 -0.40 -1.52 0.00 0.00 175.55 173.12 3gxk n ASP 29 N -0.19 0.96 0.00 -0.18 5.68 -1.26 -4.75 116.55 116.81 3gxk n ASP 29 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 3gxk n ASP 29 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 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 2.67 -1.51 0.29 6.12 0.00 0.57 -3.15 105.19 110.18 3gxk n GLY 30 Ca 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 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 1.21 -0.76 1.61 2.07 -1.86 -1.96 116.25 116.57 3gxk h VAL 31 Ca 0.00 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3gxk h VAL 31 Cb 0.00 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3gxk h VAL 31 CO 0.00 0.29 0.50 0.03 0.02 0.00 0.00 177.57 178.42 3gxk h ARG 32 N 0.66 0.96 -0.19 1.57 3.08 -1.95 0.15 114.38 118.65 3gxk h ARG 32 Ca 0.14 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.95 3gxk h ARG 32 Cb 0.33 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3gxk h ARG 32 CO 0.01 0.63 -0.60 0.00 -1.07 0.00 0.00 179.97 178.94 3gxk h ALA 33 N 1.54 0.33 -0.83 0.04 0.00 -1.33 -1.67 119.26 117.35 3gxk h ALA 33 Ca 0.29 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3gxk h ALA 33 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3gxk h ALA 33 CO -0.07 0.58 0.55 0.77 0.00 0.00 0.00 179.25 181.08 3gxk h SER 34 N 0.47 0.93 -0.69 0.00 0.02 -0.96 -1.19 113.55 112.13 3gxk h SER 34 Ca -0.02 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 3gxk h SER 34 Cb 1.22 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 3gxk h SER 34 CO 0.13 0.67 0.16 0.45 -1.14 0.00 0.00 176.83 177.10 3gxk h HIS 35 N 1.10 1.17 -0.28 3.45 -0.00 -0.84 -1.35 115.15 118.39 3gxk h HIS 35 Ca 0.31 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 3gxk h HIS 35 Cb -0.09 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 26.98 3gxk h HIS 35 CO -0.02 0.96 0.07 1.15 -0.00 0.00 0.00 177.93 180.09 3gxk h THR 36 N 1.05 1.21 -0.60 2.45 2.02 -0.94 0.39 112.91 118.49 3gxk h THR 36 Ca 0.22 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 3gxk h THR 36 Cb 0.38 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3gxk h THR 36 CO 0.00 0.23 0.08 0.24 0.37 0.00 0.00 175.52 176.45 3gxk h MET 37 N 0.29 0.99 -0.39 6.66 2.86 -1.06 -0.85 114.93 123.43 3gxk h MET 37 Ca 0.09 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3gxk h MET 37 Cb 0.28 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3gxk h MET 37 CO 0.00 0.92 0.16 0.00 1.06 0.00 0.00 176.91 179.05 3gxk h ALA 38 N 1.16 0.50 -0.48 6.32 0.00 -1.13 -2.38 119.26 123.24 3gxk h ALA 38 Ca 0.18 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gxk h ALA 38 Cb 0.42 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3gxk h ALA 38 CO 0.01 0.10 0.24 0.37 0.00 0.00 0.00 179.25 179.97 3gxk h GLN 39 N 0.48 0.46 -0.96 0.00 4.15 -0.59 -1.91 115.11 116.74 3gxk h GLN 39 Ca 0.13 -0.03 0.19 0.00 0.77 0.00 0.00 58.65 59.72 3gxk h GLN 39 Cb 0.18 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 27.68 3gxk h GLN 39 CO -0.01 0.30 0.61 1.15 -1.93 0.00 0.00 178.83 178.95 3gxk h THR 40 N 0.47 0.70 -0.01 2.39 2.02 -0.95 -1.28 112.91 116.26 3gxk h THR 40 Ca 0.21 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gxk h THR 40 Cb 0.12 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3gxk h THR 40 CO -0.15 0.11 -0.23 0.47 0.37 0.00 0.00 175.52 176.09 3gxk n ASP 41 N -4.64 1.01 0.14 4.18 8.00 -0.78 -4.51 116.55 119.94 3gxk n ASP 41 Ca 0.21 -0.89 -0.00 0.00 0.71 0.00 0.00 54.79 54.82 3gxk n ASP 41 Cb 0.62 0.11 0.27 0.00 -0.02 0.00 0.00 41.12 42.11 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 3.71 1.21 -0.16 2.24 0.00 -0.54 -0.43 119.26 125.29 3gxk h ALA 42 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3gxk h ALA 42 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gxk h ALA 42 CO 0.00 0.56 -0.41 0.78 0.00 0.00 0.00 179.25 180.18 3gxk h GLY 43 N 1.25 0.61 2.00 0.00 0.00 -1.79 -2.76 103.07 102.38 3gxk h GLY 43 Ca 0.01 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 3gxk h GLY 43 CO 0.06 0.68 -0.39 -0.09 0.00 0.00 0.00 176.54 176.80 3gxk h ARG 44 N 0.20 0.00 0.00 4.80 2.43 -1.80 -2.60 114.38 117.40 3gxk h ARG 44 Ca -0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3gxk h ARG 44 Cb 1.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3gxk h ARG 44 CO 0.09 0.39 -0.36 1.98 -1.51 0.00 0.00 179.97 180.56 3gxk h MET 45 N 0.00 0.00 -0.97 0.20 4.05 -0.93 -3.31 114.93 113.96 3gxk h MET 45 Ca -0.00 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.56 3gxk h MET 45 Cb 0.71 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.42 3gxk h MET 45 CO 0.05 0.36 0.59 1.49 0.23 0.00 0.00 176.91 179.63 3gxk h GLU 46 N 0.00 0.83 0.00 0.39 4.57 -1.17 -0.26 114.58 118.94 3gxk h GLU 46 Ca -0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3gxk h GLU 46 Cb 0.81 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3gxk h GLU 46 CO 0.05 0.55 -0.03 1.57 -1.18 0.00 0.00 179.01 179.97 3gxk h LYS 47 N 0.86 0.00 -0.00 1.92 2.10 -1.76 -1.77 116.57 117.91 3gxk h LYS 47 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 3gxk h LYS 47 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 3gxk h LYS 47 CO -0.32 0.03 -0.19 0.66 -2.00 0.00 0.00 179.45 177.63 3gxk n TYR 48 N -3.13 0.00 -0.26 0.07 4.01 -0.11 -4.54 117.16 113.21 3gxk n TYR 48 Ca 0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 3gxk n TYR 48 Cb 0.34 -0.19 0.14 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.65 0.64 -0.28 -0.72 3.64 -1.26 0.58 116.57 119.82 3gxk h LYS 49 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3gxk h LYS 49 Cb 0.43 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3gxk h LYS 49 CO 0.00 0.43 0.10 1.03 -2.27 0.00 0.00 179.45 178.73 3gxk h SER 50 N 0.66 0.41 -0.19 4.20 0.87 -1.81 0.24 113.55 117.93 3gxk h SER 50 Ca 0.36 -0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3gxk h SER 50 Cb 0.34 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 3gxk h SER 50 CO -0.25 0.49 -0.14 -0.26 -0.53 0.00 0.00 176.83 176.15 3gxk h PHE 51 N 0.30 -0.34 -0.50 2.24 0.04 -1.69 -0.26 116.94 116.73 3gxk h PHE 51 Ca 0.09 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.94 3gxk h PHE 51 Cb 0.23 0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 3gxk h PHE 51 CO 0.00 -0.20 0.24 0.82 -0.60 0.00 0.00 178.31 178.57 3gxk h ILE 52 N -0.14 0.93 -0.66 -0.55 2.04 -0.73 -1.79 117.51 116.61 3gxk h ILE 52 Ca 0.11 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3gxk h ILE 52 Cb 0.31 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3gxk h ILE 52 CO -0.28 0.08 0.24 0.78 0.00 0.00 0.00 178.15 178.97 3gxk h ASN 53 N 0.46 0.93 -0.00 1.72 2.35 -0.04 -0.93 115.58 120.06 3gxk h ASN 53 Ca 0.23 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3gxk h ASN 53 Cb 0.16 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3gxk h ASN 53 CO -0.18 0.87 0.00 0.78 -1.65 0.00 0.00 177.43 177.25 3gxk h ASN 54 N 0.94 0.01 -0.50 5.81 2.35 -0.77 -1.89 115.58 121.53 3gxk h ASN 54 Ca 0.22 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 3gxk h ASN 54 Cb 0.25 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3gxk h ASN 54 CO -0.01 0.07 0.00 0.58 -1.65 0.00 0.00 177.43 176.42 3gxk h VAL 55 N -0.06 1.26 -0.18 2.81 2.07 -1.31 -2.10 116.25 118.75 3gxk h VAL 55 Ca 0.00 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3gxk h VAL 55 Cb 0.07 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 3gxk h VAL 55 CO -0.00 0.38 -0.27 0.00 0.02 0.00 0.00 177.57 177.69 3gxk h ALA 56 N 0.93 -0.24 -0.49 1.67 0.00 -1.06 -1.26 119.26 118.80 3gxk h ALA 56 Ca 0.14 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gxk h ALA 56 Cb 0.52 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3gxk h ALA 56 CO 0.03 -0.73 0.29 0.87 0.00 0.00 0.00 179.25 179.71 3gxk h LYS 57 N -0.32 0.57 -0.13 0.00 1.57 -1.26 0.37 116.57 117.38 3gxk h LYS 57 Ca 0.12 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3gxk h LYS 57 Cb 0.49 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3gxk h LYS 57 CO -0.36 0.37 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.51 3gxk h LYS 58 N 0.58 -0.20 -0.00 3.15 3.64 -1.04 -3.08 116.57 119.61 3gxk h LYS 58 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3gxk h LYS 58 Cb 0.02 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3gxk h LYS 58 CO -0.09 -0.13 -0.50 0.72 -2.27 0.00 0.00 179.45 177.17 3gxk n HIS 59 N -5.31 0.00 -3.32 1.91 8.25 -0.51 -4.96 115.22 111.29 3gxk n HIS 59 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 3gxk n HIS 59 Cb 0.23 -0.17 0.06 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.19 -2.89 -4.35 1.59 0.31 0.12 -5.03 118.33 106.89 3gxk n VAL 60 Ca 0.07 -0.09 -0.31 0.00 -0.01 0.00 0.00 64.34 64.00 3gxk n VAL 60 Cb 0.34 -3.69 -0.10 0.00 -0.91 0.00 0.00 33.84 29.48 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 -3.26 3.68 0.14 2.52 1.01 -0.81 -4.77 120.40 118.90 3gxk s VAL 61 Ca 0.36 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 3gxk s VAL 61 Cb -0.16 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 3gxk s VAL 61 CO 0.58 0.29 1.43 -0.62 0.00 0.00 0.00 175.10 176.78 3gxk s ASP 62 N -1.72 6.76 0.55 3.32 -1.08 -1.26 -4.55 116.67 118.70 3gxk s ASP 62 Ca 0.19 2.42 0.23 0.00 -0.52 0.00 0.00 52.55 54.87 3gxk s ASP 62 Cb -0.11 -2.59 1.52 0.00 -1.46 0.00 0.00 42.92 40.28 3gxk s ASP 62 CO 0.11 -0.69 2.19 1.55 0.52 0.00 0.00 175.17 178.85 3gxk h PRO 63 N 6.62 0.00 -0.42 4.34 0.13 -1.87 -2.27 132.00 138.53 3gxk h PRO 63 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 3gxk h PRO 63 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3gxk h PRO 63 CO 0.87 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.54 3gxk h ALA 64 N 1.98 1.04 -0.61 -0.56 0.00 -1.89 -0.83 119.26 118.39 3gxk h ALA 64 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gxk h ALA 64 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3gxk h ALA 64 CO -0.00 0.59 0.29 0.28 0.00 0.00 0.00 179.25 180.41 3gxk h VAL 65 N 0.68 1.21 -0.28 0.00 2.07 -1.70 0.23 116.25 118.46 3gxk h VAL 65 Ca 0.12 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3gxk h VAL 65 Cb 0.56 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3gxk h VAL 65 CO 0.03 0.25 0.15 0.40 0.02 0.00 0.00 177.57 178.42 3gxk h ILE 66 N 0.84 1.13 -0.66 4.57 2.04 -1.30 -1.40 117.51 122.73 3gxk h ILE 66 Ca 0.21 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.76 3gxk h ILE 66 Cb 0.12 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3gxk h ILE 66 CO -0.03 0.13 0.39 0.00 0.00 0.00 0.00 178.15 178.65 3gxk h ALA 67 N 1.02 0.87 -0.41 1.87 0.00 -1.07 -0.96 119.26 120.57 3gxk h ALA 67 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gxk h ALA 67 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gxk h ALA 67 CO -0.02 0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.61 3gxk h ALA 68 N 1.31 0.53 -0.41 0.00 0.00 -0.52 -0.35 119.26 119.81 3gxk h ALA 68 Ca 0.28 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3gxk h ALA 68 Cb 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3gxk h ALA 68 CO -0.14 0.00 0.18 0.82 0.00 0.00 0.00 179.25 180.12 3gxk h ILE 69 N 0.55 0.93 -0.73 0.00 2.04 -1.00 -1.00 117.51 118.31 3gxk h ILE 69 Ca 0.15 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.97 3gxk h ILE 69 Cb -0.03 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.51 3gxk h ILE 69 CO -0.03 0.07 0.38 0.40 0.00 0.00 0.00 178.15 178.97 3gxk h ILE 70 N 0.38 0.88 0.09 -0.67 2.04 -0.69 0.15 117.51 119.68 3gxk h ILE 70 Ca 0.18 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3gxk h ILE 70 Cb 0.12 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3gxk h ILE 70 CO -0.15 0.12 -0.04 -1.28 0.00 0.00 0.00 178.15 176.80 3gxk h SER 71 N 0.65 -0.10 -0.25 1.72 0.87 -0.88 -2.12 113.55 113.45 3gxk h SER 71 Ca 0.35 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 3gxk h SER 71 Cb 0.34 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3gxk h SER 71 CO -0.25 -0.05 0.07 -0.09 -0.53 0.00 0.00 176.83 175.98 3gxk h ARG 72 N -0.14 0.39 -0.15 2.24 9.65 -0.86 -1.10 114.38 124.41 3gxk h ARG 72 Ca -0.01 -0.09 -0.20 0.00 -1.10 0.00 0.00 59.98 58.58 3gxk h ARG 72 Cb 0.11 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3gxk h ARG 72 CO 0.02 0.49 -0.69 0.93 2.80 0.00 0.00 179.97 183.51 3gxk h GLU 73 N 0.23 0.65 0.00 0.20 4.39 -0.66 -3.39 114.58 115.99 3gxk h GLU 73 Ca 0.08 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3gxk h GLU 73 Cb 0.27 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3gxk h GLU 73 CO -0.00 1.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.83 3gxk n SER 74 N -3.92 0.00 -3.77 1.42 3.41 -0.83 -4.90 113.62 105.04 3gxk n SER 74 Ca -0.05 -1.00 -0.24 0.00 -0.26 0.00 0.00 58.87 57.31 3gxk n SER 74 Cb 0.69 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.00 -5.24 -3.53 4.33 5.12 -0.42 -1.97 116.66 114.96 3gxk n ARG 75 Ca 0.00 0.62 -0.26 0.00 -1.93 0.00 0.00 57.85 56.28 3gxk n ARG 75 Cb 0.47 -5.31 0.04 0.00 -1.16 0.00 0.00 32.46 26.50 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 -4.44 -1.18 0.00 7.54 0.00 -1.01 -1.99 120.51 119.44 3gxk n ALA 76 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gxk n ALA 76 Cb 0.62 -4.33 0.00 0.00 0.00 0.00 0.00 19.45 15.74 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 -1.65 2.42 0.30 0.00 0.00 -0.83 -4.81 105.19 100.62 3gxk n GLY 77 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.10 1.61 -1.24 -1.00 0.15 115.58 115.00 3gxk h ASN 78 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3gxk h ASN 78 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3gxk h ASN 78 CO 0.00 0.00 0.00 1.33 -1.29 0.00 0.00 177.43 177.47 3gxk n VAL 79 N -4.40 0.11 0.00 2.57 0.24 -1.02 -4.47 118.33 111.36 3gxk n VAL 79 Ca 0.01 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3gxk n VAL 79 Cb 0.25 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.90 0.00 0.29 1.34 -5.35 -0.43 -4.78 119.36 111.33 3gxk n ILE 80 Ca 0.17 -0.16 0.14 0.00 -0.27 0.00 0.00 62.75 62.62 3gxk n ILE 80 Cb 0.50 0.65 0.87 0.00 -1.74 0.00 0.00 39.64 39.92 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 -0.48 4.28 -5.15 -1.25 -0.10 116.94 114.24 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 0.00 0.00 0.09 -2.00 0.00 0.00 178.31 176.40 3gxk n ASN 82 N -3.95 3.35 -4.87 -0.68 3.02 -1.26 -4.62 115.26 106.25 3gxk n ASN 82 Ca -0.03 -1.96 -0.29 0.00 -0.03 0.00 0.00 54.58 52.27 3gxk n ASN 82 Cb 0.09 -0.32 0.09 0.00 -0.61 0.00 0.00 39.78 39.03 3gxk n ASN 82 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gxk s THR 83 N -1.07 2.01 -0.17 3.41 -4.23 -1.00 -4.96 115.64 109.61 3gxk s THR 83 Ca 0.35 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.85 3gxk s THR 83 Cb 0.19 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 71.07 3gxk s THR 83 CO 0.25 0.00 -0.06 0.42 -0.54 0.00 0.00 174.62 174.69 3gxk s THR 84 N -3.58 1.20 0.78 3.99 -4.23 -1.26 -1.90 115.64 110.63 3gxk s THR 84 Ca 0.62 -0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 60.31 3gxk s THR 84 Cb -0.11 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.43 3gxk s THR 84 CO 0.49 0.12 1.13 -2.16 -0.54 0.00 0.00 174.62 173.66 3gxk s PRO 85 N 1.59 2.04 0.48 3.99 0.04 -1.26 -5.07 135.00 136.81 3gxk s PRO 85 Ca 0.00 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 3gxk s PRO 85 Cb -0.16 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 3gxk s PRO 85 CO -0.08 -1.84 1.38 -2.14 0.04 0.00 0.00 177.00 174.36 3gxk s PRO 86 N -4.53 3.52 0.00 0.56 0.02 -0.80 -4.22 135.00 129.55 3gxk s PRO 86 Ca 0.66 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3gxk s PRO 86 Cb -0.21 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.80 3gxk s PRO 86 CO 0.52 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 3gxk n GLY 87 N 0.63 1.01 3.57 0.52 0.00 -0.08 -4.82 105.19 106.02 3gxk n GLY 87 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 2.86 0.32 1.61 0.52 -1.26 0.29 118.94 121.28 3gxk s TRP 88 Ca 0.00 -0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.12 3gxk s TRP 88 Cb 0.00 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.68 3gxk s TRP 88 CO 0.00 0.34 0.29 0.20 0.02 0.00 0.00 176.95 177.81 3gxk s GLY 89 N -1.26 2.18 -1.29 0.98 0.00 -0.01 -4.78 107.32 103.15 3gxk s GLY 89 Ca 0.16 -1.99 -0.01 0.00 0.00 0.00 0.00 44.72 42.87 3gxk s GLY 89 CO 0.06 -1.41 0.71 1.34 0.00 0.00 0.00 173.10 173.80 3gxk n ASP 90 N -1.46 -1.58 -3.78 1.64 2.03 -1.26 -1.30 116.55 110.83 3gxk n ASP 90 Ca 0.06 -0.82 -0.23 0.00 0.52 0.00 0.00 54.79 54.32 3gxk n ASP 90 Cb 0.62 -4.08 0.02 0.00 -0.72 0.00 0.00 41.12 36.96 3gxk n ASP 90 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3gxk n ASN 91 N -3.04 -0.97 -2.60 1.67 5.15 -1.26 -2.04 115.26 112.17 3gxk n ASN 91 Ca -0.28 -0.88 -0.20 0.00 -0.60 0.00 0.00 54.58 52.62 3gxk n ASN 91 Cb 0.67 -3.75 0.02 0.00 -0.53 0.00 0.00 39.78 36.19 3gxk n ASN 91 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3gxk n TYR 92 N -4.32 -1.58 -0.07 1.20 4.02 -0.97 -4.88 117.16 110.56 3gxk n TYR 92 Ca -0.30 0.37 -0.08 0.00 -0.01 0.00 0.00 57.90 57.88 3gxk n TYR 92 Cb 0.68 -4.06 -0.11 0.00 -0.02 0.00 0.00 39.34 35.83 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 -1.98 1.71 -4.58 7.72 4.13 -0.76 -4.95 115.26 116.54 3gxk n ASN 93 Ca -0.13 -0.02 -0.34 0.00 1.68 0.00 0.00 54.58 55.77 3gxk n ASN 93 Cb 0.62 0.65 -0.11 0.00 -1.54 0.00 0.00 39.78 39.40 3gxk n ASN 93 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3gxk s GLY 94 N -4.91 1.77 -0.08 7.41 0.00 -0.42 -1.30 107.32 109.79 3gxk s GLY 94 Ca -0.10 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 43.85 3gxk s GLY 94 CO 0.55 -0.31 -0.24 -0.12 0.00 0.00 0.00 173.10 172.98 3gxk s PHE 95 N -0.21 2.50 0.00 1.90 5.36 -0.01 -0.83 117.98 126.69 3gxk s PHE 95 Ca 0.04 -0.89 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 3gxk s PHE 95 Cb -0.13 -1.66 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 3gxk s PHE 95 CO 0.02 -0.32 0.00 0.41 -1.46 0.00 0.00 175.22 173.87 3gxk n GLY 96 N 3.24 0.70 0.43 13.12 0.00 0.15 -1.29 105.19 121.54 3gxk n GLY 96 Ca -0.18 -1.87 0.28 0.00 0.00 0.00 0.00 46.02 44.25 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 0.36 -2.19 0.99 3.38 -1.68 -0.11 115.31 116.05 3gxk h LEU 97 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gxk h LEU 97 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3gxk h LEU 97 CO 0.00 -0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.73 3gxk n MET 98 N -4.67 1.97 -3.42 1.13 2.81 -1.26 -3.87 117.12 109.81 3gxk n MET 98 Ca 0.30 -1.84 -0.20 0.00 -1.81 0.00 0.00 57.70 54.15 3gxk n MET 98 Cb 1.10 -1.34 0.05 0.00 -0.71 0.00 0.00 33.22 32.32 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 0.91 -1.72 -1.96 0.03 1.13 -0.06 -4.94 117.38 110.78 3gxk n GLN 99 Ca 0.13 0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 55.54 3gxk n GLN 99 Cb 0.44 -5.04 -0.03 0.00 0.11 0.00 0.00 30.24 25.73 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 -3.36 2.67 -0.25 5.09 1.01 -0.41 -4.43 120.40 120.72 3gxk s VAL 100 Ca 0.40 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 3gxk s VAL 100 Cb -0.10 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3gxk s VAL 100 CO 0.79 0.04 0.99 -0.62 0.00 0.00 0.00 175.10 176.31 3gxk s ASP 101 N 1.06 6.99 0.52 3.32 -1.08 -1.26 -0.83 116.67 125.38 3gxk s ASP 101 Ca 0.68 1.20 0.33 0.00 -0.52 0.00 0.00 52.55 54.25 3gxk s ASP 101 Cb -0.43 -2.51 1.44 0.00 -1.46 0.00 0.00 42.92 39.96 3gxk s ASP 101 CO 0.32 -0.68 1.99 0.07 0.52 0.00 0.00 175.17 177.39 3gxk h LYS 102 N 7.66 0.00 0.00 4.34 2.10 -1.31 -2.31 116.57 127.05 3gxk h LYS 102 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 3gxk h LYS 102 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3gxk h LYS 102 CO 0.96 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.41 3gxk h ARG 103 N 0.00 0.00 0.00 0.07 3.08 -1.91 -3.34 114.38 112.29 3gxk h ARG 103 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gxk h ARG 103 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3gxk h ARG 103 CO 0.00 0.00 -1.11 0.66 -1.07 0.00 0.00 179.97 178.45 3gxk n TYR 104 N -2.91 0.00 -3.79 3.04 4.01 -0.91 -5.03 117.16 111.56 3gxk n TYR 104 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 3gxk n TYR 104 Cb 0.34 -0.06 -0.12 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.13 -0.23 -0.02 -0.72 3.76 -0.94 -5.10 115.29 109.91 3gxk s HIS 105 Ca -0.01 0.56 -0.30 0.00 -0.15 0.00 0.00 55.06 55.16 3gxk s HIS 105 Cb 0.01 0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.72 3gxk s HIS 105 CO 0.09 -0.12 1.42 -2.00 -0.85 0.00 0.00 174.74 173.28 3gxk s GLU 106 N 0.25 4.27 0.01 1.40 2.12 -1.26 -3.91 118.70 121.57 3gxk s GLU 106 Ca -0.01 1.97 -0.30 0.00 0.36 0.00 0.00 54.97 56.98 3gxk s GLU 106 Cb -0.03 -3.63 -0.06 0.00 0.26 0.00 0.00 34.13 30.67 3gxk s GLU 106 CO -0.01 -0.62 1.40 -1.25 -0.54 0.00 0.00 175.26 174.24 3gxk s PRO 107 N 2.67 4.28 0.15 4.30 0.04 -1.26 -5.02 135.00 140.17 3gxk s PRO 107 Ca 0.64 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.71 3gxk s PRO 107 Cb -0.31 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 3gxk s PRO 107 CO 0.26 -0.57 0.04 1.03 0.04 0.00 0.00 177.00 177.80 3gxk s ARG 108 N 2.33 2.57 0.00 4.56 0.52 -1.26 -5.04 118.95 122.63 3gxk s ARG 108 Ca 0.64 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 3gxk s ARG 108 Cb -0.32 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.68 3gxk s ARG 108 CO 0.27 0.48 0.00 0.41 0.02 0.00 0.00 175.30 176.48 3gxk n GLY 109 N -0.04 -1.73 3.76 -3.53 0.00 -1.26 -3.76 105.19 98.62 3gxk n GLY 109 Ca -0.09 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.74 2.56 0.53 4.61 0.00 -1.26 -4.86 121.76 121.59 3gxk s ALA 110 Ca 0.00 0.99 0.25 0.00 0.00 0.00 0.00 51.96 53.20 3gxk s ALA 110 Cb 0.00 -3.44 1.39 0.00 0.00 0.00 0.00 23.12 21.07 3gxk s ALA 110 CO 0.00 -1.13 2.00 0.11 0.00 0.00 0.00 175.76 176.74 3gxk h TRP 111 N 0.90 0.00 -0.20 0.00 5.08 -1.88 -1.61 115.95 118.25 3gxk h TRP 111 Ca -0.50 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.41 3gxk h TRP 111 Cb 1.29 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.42 3gxk h TRP 111 CO 0.47 0.00 -0.08 0.27 -1.28 0.00 0.00 178.44 177.82 3gxk n ASN 112 N -4.37 2.86 -4.88 0.11 6.94 -1.26 -1.92 115.26 112.74 3gxk n ASN 112 Ca 0.09 -3.37 -0.30 0.00 -0.02 0.00 0.00 54.58 50.98 3gxk n ASN 112 Cb 0.58 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 37.42 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 -2.48 6.49 0.29 0.53 1.04 -0.60 -5.00 113.70 113.97 3gxk s SER 113 Ca 0.40 1.08 0.03 0.00 0.48 0.00 0.00 55.95 57.94 3gxk s SER 113 Cb 0.35 -2.30 0.61 0.00 0.10 0.00 0.00 66.02 64.78 3gxk s SER 113 CO 0.03 -0.40 1.82 -0.08 0.98 0.00 0.00 173.24 175.59 3gxk h GLU 114 N 1.21 0.90 -0.65 4.02 4.81 -1.94 -1.87 114.58 121.05 3gxk h GLU 114 Ca -0.47 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 3gxk h GLU 114 Cb 1.19 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3gxk h GLU 114 CO 0.64 0.59 0.07 1.49 -0.73 0.00 0.00 179.01 181.08 3gxk h GLU 115 N 0.93 1.10 -0.16 1.92 4.57 -1.91 0.24 114.58 121.27 3gxk h GLU 115 Ca 0.52 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 3gxk h GLU 115 Cb 0.62 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3gxk h GLU 115 CO -0.30 1.02 0.07 1.25 -1.18 0.00 0.00 179.01 179.87 3gxk h HIS 116 N 1.02 0.24 -0.44 0.92 2.76 -1.59 -1.44 115.15 116.63 3gxk h HIS 116 Ca 0.19 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 3gxk h HIS 116 Cb 0.48 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3gxk h HIS 116 CO 0.03 0.29 0.08 0.82 -1.30 0.00 0.00 177.93 177.86 3gxk h ILE 117 N 0.12 1.20 0.19 6.26 2.04 -0.85 -1.56 117.51 124.92 3gxk h ILE 117 Ca 0.06 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3gxk h ILE 117 Cb 0.15 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3gxk h ILE 117 CO -0.01 0.27 -0.09 -0.78 0.00 0.00 0.00 178.15 177.54 3gxk h ASP 118 N 0.64 -0.22 -0.28 1.72 1.82 -0.44 -0.53 116.42 119.13 3gxk h ASP 118 Ca 0.14 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.81 3gxk h ASP 118 Cb 0.28 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 3gxk h ASP 118 CO 0.00 -0.15 0.11 -0.61 -1.61 0.00 0.00 179.24 176.99 3gxk h GLN 119 N -0.26 0.24 -0.70 0.28 4.15 -0.83 -0.22 115.11 117.78 3gxk h GLN 119 Ca -0.03 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 3gxk h GLN 119 Cb 0.20 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 3gxk h GLN 119 CO 0.04 0.16 0.14 0.00 -1.93 0.00 0.00 178.83 177.25 3gxk h ALA 120 N 1.17 0.94 -0.44 3.38 0.00 -1.18 -1.19 119.26 121.94 3gxk h ALA 120 Ca 0.12 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3gxk h ALA 120 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3gxk h ALA 120 CO -0.11 0.67 -0.27 1.15 0.00 0.00 0.00 179.25 180.69 3gxk h THR 121 N 1.06 1.27 -0.98 0.00 2.02 -0.86 -1.68 112.91 113.74 3gxk h THR 121 Ca 0.22 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 65.99 3gxk h THR 121 Cb 0.41 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 3gxk h THR 121 CO 0.01 0.49 0.64 1.23 0.37 0.00 0.00 175.52 178.26 3gxk h GLY 122 N 0.87 1.42 0.98 2.16 0.00 -0.79 0.33 103.07 108.04 3gxk h GLY 122 Ca 0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3gxk h GLY 122 CO 0.07 0.42 0.26 -2.22 0.00 0.00 0.00 176.54 175.07 3gxk h ILE 123 N 1.24 1.21 -0.65 2.60 2.04 -1.01 -1.31 117.51 121.64 3gxk h ILE 123 Ca 0.39 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3gxk h ILE 123 Cb -0.00 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3gxk h ILE 123 CO -0.12 0.24 0.27 0.25 0.00 0.00 0.00 178.15 178.79 3gxk h LEU 124 N 0.76 0.86 -0.53 1.44 5.85 -0.50 -2.24 115.31 120.95 3gxk h LEU 124 Ca 0.19 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 3gxk h LEU 124 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3gxk h LEU 124 CO -0.02 0.76 -0.03 0.58 -0.34 0.00 0.00 178.44 179.40 3gxk h VAL 125 N 0.93 1.27 -0.92 1.05 2.07 0.09 0.11 116.25 120.84 3gxk h VAL 125 Ca 0.22 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.65 3gxk h VAL 125 Cb 0.17 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3gxk h VAL 125 CO -0.02 0.41 0.60 -1.13 0.02 0.00 0.00 177.57 177.44 3gxk h ASN 126 N 0.83 0.93 -0.17 0.57 -0.73 -1.08 -1.90 115.58 114.02 3gxk h ASN 126 Ca 0.15 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.17 3gxk h ASN 126 Cb 0.57 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 3gxk h ASN 126 CO 0.03 0.60 -0.45 -0.26 -0.37 0.00 0.00 177.43 176.99 3gxk h PHE 127 N 1.06 0.88 -0.41 0.67 0.04 -0.78 -0.84 116.94 117.57 3gxk h PHE 127 Ca 0.39 -0.28 0.08 0.00 2.80 0.00 0.00 57.97 60.96 3gxk h PHE 127 Cb 0.17 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.07 3gxk h PHE 127 CO -0.00 1.04 -0.06 0.82 -0.60 0.00 0.00 178.31 179.51 3gxk h ILE 128 N 0.58 0.63 -0.20 -0.55 2.04 -0.31 0.81 117.51 120.51 3gxk h ILE 128 Ca 0.04 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3gxk h ILE 128 Cb 1.00 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3gxk h ILE 128 CO 0.10 0.01 0.12 1.56 0.00 0.00 0.00 178.15 179.93 3gxk h GLN 129 N 0.04 0.28 -0.30 2.37 4.20 -1.26 -0.14 115.11 120.30 3gxk h GLN 129 Ca 0.20 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.92 3gxk h GLN 129 Cb 0.30 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3gxk h GLN 129 CO -0.38 0.25 0.08 -0.07 -0.67 0.00 0.00 178.83 178.03 3gxk h LEU 130 N 0.24 0.05 -0.72 1.46 3.38 -0.88 -1.96 115.31 116.88 3gxk h LEU 130 Ca 0.07 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3gxk h LEU 130 Cb 0.04 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gxk h LEU 130 CO -0.01 0.06 -0.00 0.40 0.09 0.00 0.00 178.44 178.98 3gxk h ILE 131 N 0.20 1.26 -0.67 1.22 1.08 -0.68 -0.25 117.51 119.67 3gxk h ILE 131 Ca 0.14 -1.11 -0.05 0.00 -0.39 0.00 0.00 64.86 63.45 3gxk h ILE 131 Cb 0.13 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 3gxk h ILE 131 CO -0.17 0.40 0.22 1.56 -0.69 0.00 0.00 178.15 179.48 3gxk h GLN 132 N 0.90 1.01 -0.34 2.37 4.20 -0.89 0.98 115.11 123.34 3gxk h GLN 132 Ca 0.16 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3gxk h GLN 132 Cb 0.53 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3gxk h GLN 132 CO 0.03 0.86 -0.07 0.87 -0.67 0.00 0.00 178.83 179.85 3gxk h LYS 133 N 0.98 0.65 -0.45 1.46 1.57 -1.24 -3.21 116.57 116.32 3gxk h LYS 133 Ca 0.22 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 3gxk h LYS 133 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3gxk h LYS 133 CO -0.01 0.81 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.21 3gxk h LYS 134 N 0.43 0.97 -2.30 3.15 3.64 -0.87 -3.36 116.57 118.23 3gxk h LYS 134 Ca 0.09 -0.43 -0.64 0.00 -1.27 0.00 0.00 60.65 58.40 3gxk h LYS 134 Cb 0.56 -0.02 -0.39 0.00 -0.41 0.00 0.00 32.23 31.97 3gxk h LYS 134 CO 0.03 1.10 -0.29 1.19 -2.27 0.00 0.00 179.45 179.21 3gxk n PHE 135 N -4.12 3.64 0.42 1.91 3.72 0.32 -4.92 117.46 118.43 3gxk n PHE 135 Ca -0.01 -3.74 0.05 0.00 -0.05 0.00 0.00 57.45 53.70 3gxk n PHE 135 Cb 0.47 -0.66 0.23 0.00 -0.94 0.00 0.00 39.48 38.58 3gxk n PHE 135 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3gxk n PRO 136 N 0.19 0.08 0.01 -1.08 -0.04 -1.21 -2.42 135.00 130.54 3gxk n PRO 136 Ca 0.33 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 3gxk n PRO 136 Cb 0.37 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 3gxk n PRO 136 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3gxk n SER 137 N -1.38 0.50 -4.75 3.54 7.64 -1.26 -4.95 113.62 112.96 3gxk n SER 137 Ca 0.04 -0.27 -0.36 0.00 1.01 0.00 0.00 58.87 59.28 3gxk n SER 137 Cb 0.09 1.24 0.03 0.00 -1.01 0.00 0.00 64.21 64.56 3gxk n SER 137 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3gxk s TRP 138 N -3.28 2.39 0.88 1.43 0.52 -1.02 -5.00 118.94 114.86 3gxk s TRP 138 Ca 0.00 1.50 -0.11 0.00 0.02 0.00 0.00 56.10 57.51 3gxk s TRP 138 Cb 0.14 -3.53 0.13 0.00 -1.15 0.00 0.00 33.47 29.06 3gxk s TRP 138 CO 0.85 -2.30 1.16 -1.13 0.02 0.00 0.00 176.95 175.55 3gxk n SER 139 N -1.45 0.54 -0.18 2.95 3.41 -1.26 -4.80 113.62 112.83 3gxk n SER 139 Ca 0.13 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3gxk n SER 139 Cb 0.49 -1.49 0.26 0.00 -0.26 0.00 0.00 64.21 63.21 3gxk n SER 139 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3gxk h THR 140 N -1.57 1.19 -0.32 6.66 2.02 -1.96 0.47 112.91 119.41 3gxk h THR 140 Ca -0.44 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.24 3gxk h THR 140 Cb 1.28 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3gxk h THR 140 CO 0.43 0.19 -0.20 -0.33 0.37 0.00 0.00 175.52 175.98 3gxk h GLU 141 N 0.94 0.69 -0.61 6.66 3.07 -1.91 -1.55 114.58 121.87 3gxk h GLU 141 Ca 0.25 -0.32 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 3gxk h GLU 141 Cb -0.05 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.79 3gxk h GLU 141 CO -0.05 0.93 0.32 1.96 -1.40 0.00 0.00 179.01 180.77 3gxk h GLN 142 N 0.45 0.58 -0.89 2.33 4.20 -1.75 -2.37 115.11 117.66 3gxk h GLN 142 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3gxk h GLN 142 Cb 0.75 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 3gxk h GLN 142 CO 0.06 0.38 0.50 1.96 -0.67 0.00 0.00 178.83 181.06 3gxk h GLN 143 N 0.59 1.23 -0.48 1.46 4.20 -0.79 -1.21 115.11 120.12 3gxk h GLN 143 Ca 0.28 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3gxk h GLN 143 Cb 0.20 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3gxk h GLN 143 CO -0.19 0.89 0.29 1.25 -0.67 0.00 0.00 178.83 180.39 3gxk h LEU 144 N 1.24 0.58 -0.45 1.46 5.85 -1.02 0.54 115.31 123.50 3gxk h LEU 144 Ca 0.32 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3gxk h LEU 144 Cb 0.00 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3gxk h LEU 144 CO -0.05 0.47 0.17 0.50 -0.34 0.00 0.00 178.44 179.18 3gxk h LYS 145 N 0.64 0.33 -0.78 1.25 3.64 -1.19 -1.41 116.57 119.04 3gxk h LYS 145 Ca 0.17 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3gxk h LYS 145 Cb -0.00 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3gxk h LYS 145 CO -0.03 0.22 0.34 0.78 -2.27 0.00 0.00 179.45 178.49 3gxk h GLY 146 N 0.34 1.23 1.62 5.01 0.00 -0.79 -1.25 103.07 109.22 3gxk h GLY 146 Ca 0.21 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3gxk h GLY 146 CO -0.21 0.61 -0.16 0.00 0.00 0.00 0.00 176.54 176.77 3gxk h ALA 147 N 1.18 1.23 -0.38 3.60 0.00 -0.58 0.44 119.26 124.75 3gxk h ALA 147 Ca 0.26 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3gxk h ALA 147 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gxk h ALA 147 CO -0.03 0.50 -0.28 0.82 0.00 0.00 0.00 179.25 180.26 3gxk h ILE 148 N 0.42 1.28 -0.39 0.00 2.04 -0.97 -0.26 117.51 119.63 3gxk h ILE 148 Ca 0.07 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.53 3gxk h ILE 148 Cb 0.53 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 3gxk h ILE 148 CO 0.03 0.48 0.18 0.00 0.00 0.00 0.00 178.15 178.84 3gxk h ALA 149 N 0.78 0.48 0.00 1.87 0.00 -0.94 -2.52 119.26 118.93 3gxk h ALA 149 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gxk h ALA 149 Cb 0.85 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gxk h ALA 149 CO 0.07 -0.20 -0.14 0.00 0.00 0.00 0.00 179.25 178.99 3gxk h ALA 150 N 1.22 1.69 -0.83 0.00 0.00 -0.71 -0.61 119.26 120.02 3gxk h ALA 150 Ca 0.17 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3gxk h ALA 150 Cb 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3gxk h ALA 150 CO -0.14 0.17 0.49 -0.92 0.00 0.00 0.00 179.25 178.85 3gxk h TYR 151 N 0.00 0.90 -0.08 0.00 3.20 -0.59 1.00 116.97 121.39 3gxk h TYR 151 Ca -0.00 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 3gxk h TYR 151 Cb 0.26 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.26 3gxk h TYR 151 CO 0.00 0.40 -0.70 -0.97 -1.64 0.00 0.00 178.16 175.25 3gxk h ASN 152 N 0.85 0.76 0.00 -2.11 -0.73 -1.18 -3.42 115.58 109.76 3gxk h ASN 152 Ca 0.39 -0.67 0.00 0.00 1.87 0.00 0.00 56.30 57.88 3gxk h ASN 152 Cb 0.29 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.65 3gxk h ASN 152 CO -0.22 1.32 0.00 1.07 -0.37 0.00 0.00 177.43 179.23 3gxk n THR 153 N -4.07 0.00 0.00 -3.57 5.66 -0.36 -4.90 114.28 107.04 3gxk n THR 153 Ca -0.09 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 3gxk n THR 153 Cb 0.71 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.51 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 0.72 0.98 0.28 1.09 0.00 0.33 -4.45 105.19 104.15 3gxk n GLY 154 Ca 0.00 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.63 1.61 2.03 -1.93 -2.17 116.42 116.60 3gxk h ASP 155 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3gxk h ASP 155 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3gxk h ASP 155 CO 0.00 0.05 0.00 1.23 -1.03 0.00 0.00 179.24 179.49 3gxk h GLY 156 N 0.32 0.00 -0.94 7.15 0.00 -1.96 -2.50 103.07 105.14 3gxk h GLY 156 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gxk h GLY 156 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.09 3gxk n ARG 157 N -2.85 2.66 -3.49 4.80 1.74 -0.82 -4.84 116.66 113.86 3gxk n ARG 157 Ca -0.00 -2.29 -0.42 0.00 -0.77 0.00 0.00 57.85 54.36 3gxk n ARG 157 Cb 0.21 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 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 -1.90 4.84 -0.12 1.55 1.01 -0.94 -4.54 120.40 120.29 3gxk s VAL 158 Ca 0.27 -1.10 0.13 0.00 0.00 0.00 0.00 61.98 61.28 3gxk s VAL 158 Cb 0.20 -3.87 -0.19 0.00 0.00 0.00 0.00 36.38 32.52 3gxk s VAL 158 CO 0.09 -0.48 0.10 -0.62 0.00 0.00 0.00 175.10 174.19 3gxk n GLU 159 N 5.08 1.43 -3.48 2.72 1.02 -1.26 -5.01 120.64 121.14 3gxk n GLU 159 Ca -0.11 -0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 56.88 3gxk n GLU 159 Cb 0.44 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 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 -4.58 -0.51 0.10 1.62 1.04 -1.26 -5.05 113.70 105.07 3gxk s SER 160 Ca -0.07 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.12 3gxk s SER 160 Cb 0.05 0.59 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 3gxk s SER 160 CO 0.60 -0.98 1.50 0.22 0.98 0.00 0.00 173.24 175.56 3gxk h TYR 161 N 2.05 0.67 -0.27 5.02 3.20 -1.97 -1.43 116.97 124.23 3gxk h TYR 161 Ca -0.33 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3gxk h TYR 161 Cb 1.30 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 3gxk h TYR 161 CO 0.25 0.77 0.07 1.05 -1.64 0.00 0.00 178.16 178.67 3gxk h GLU 162 N 0.36 0.38 -0.26 1.82 4.11 -2.03 -2.75 114.58 116.23 3gxk h GLU 162 Ca 0.08 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.34 3gxk h GLU 162 Cb 0.56 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 3gxk h GLU 162 CO 0.03 0.35 -0.16 -1.13 0.07 0.00 0.00 179.01 178.18 3gxk n SER 163 N -4.39 2.41 -0.34 3.06 3.41 -1.18 -4.83 113.62 111.76 3gxk n SER 163 Ca 0.01 -3.72 0.13 0.00 -0.26 0.00 0.00 58.87 55.03 3gxk n SER 163 Cb 0.16 -0.60 0.32 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 1.01 0.64 -0.12 -3.33 3.04 -0.94 -1.46 116.25 115.08 3gxk h VAL 164 Ca 0.15 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3gxk h VAL 164 Cb 1.48 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3gxk h VAL 164 CO 0.28 0.12 0.00 0.47 -1.01 0.00 0.00 177.57 177.43 3gxk n ASP 165 N -4.85 2.50 0.25 3.17 8.00 -1.26 -4.60 116.55 119.76 3gxk n ASP 165 Ca 0.23 -1.82 0.12 0.00 0.71 0.00 0.00 54.79 54.02 3gxk n ASP 165 Cb 0.60 -0.07 0.65 0.00 -0.02 0.00 0.00 41.12 42.29 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 3.67 0.00 -0.39 -2.24 4.64 -1.55 -1.33 113.55 116.34 3gxk h SER 166 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3gxk h SER 166 Cb 0.79 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 3gxk h SER 166 CO 0.00 0.15 0.03 0.54 -0.87 0.00 0.00 176.83 176.68 3gxk n ARG 167 N -3.57 3.24 -3.74 4.77 1.74 -1.26 -4.86 116.66 112.98 3gxk n ARG 167 Ca -0.01 -2.97 -0.20 0.00 -0.77 0.00 0.00 57.85 53.89 3gxk n ARG 167 Cb 0.29 -1.97 -0.01 0.00 -1.02 0.00 0.00 32.46 29.75 3gxk n ARG 167 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gxk s THR 168 N -2.89 4.60 0.17 0.55 -4.23 -0.50 -4.80 115.64 108.53 3gxk s THR 168 Ca 0.46 -1.03 -0.33 0.00 -1.18 0.00 0.00 61.69 59.61 3gxk s THR 168 Cb 0.38 -3.60 -0.13 0.00 1.34 0.00 0.00 72.50 70.48 3gxk s THR 168 CO 0.10 -0.24 1.64 0.41 -0.54 0.00 0.00 174.62 175.98 3gxk n THR 169 N -1.50 0.03 -0.85 3.99 -1.04 -1.26 -1.29 114.28 112.34 3gxk n THR 169 Ca -0.05 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3gxk n THR 169 Cb 0.58 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 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 3.64 0.50 3.18 3.41 0.00 -1.26 -3.35 105.19 111.31 3gxk n GLY 170 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.81 -3.59 -0.39 1.61 4.76 -0.41 -4.64 118.16 113.68 3gxk n LYS 171 Ca 0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 3gxk n LYS 171 Cb 0.06 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 27.94 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 -2.28 0.00 0.40 4.39 5.75 -1.21 -4.74 116.55 118.85 3gxk n ASP 172 Ca -0.05 -1.14 -0.19 0.00 -0.01 0.00 0.00 54.79 53.39 3gxk n ASP 172 Cb 0.57 -0.03 -0.09 0.00 -1.03 0.00 0.00 41.12 40.53 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 -1.14 -0.21 2.11 3.20 -1.84 0.16 116.97 119.26 3gxk h TYR 173 Ca 0.00 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 3gxk h TYR 173 Cb 1.06 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 3gxk h TYR 173 CO -0.17 -0.66 -0.33 0.66 -1.64 0.00 0.00 178.16 176.03 3gxk h SER 174 N -1.09 0.45 -0.16 -2.11 4.64 -1.87 -0.44 113.55 112.97 3gxk h SER 174 Ca -0.10 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3gxk h SER 174 Cb 0.87 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 3gxk h SER 174 CO 0.11 0.76 0.04 0.78 -0.87 0.00 0.00 176.83 177.65 3gxk h ASN 175 N 0.38 0.03 -0.09 4.97 2.35 -1.79 0.20 115.58 121.63 3gxk h ASN 175 Ca 0.05 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3gxk h ASN 175 Cb 0.76 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 3gxk h ASN 175 CO 0.06 0.04 0.02 -0.78 -1.65 0.00 0.00 177.43 175.13 3gxk h ASP 176 N 0.11 0.13 -0.73 5.81 3.58 -0.51 -2.23 116.42 122.57 3gxk h ASP 176 Ca 0.07 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.25 3gxk h ASP 176 Cb 0.05 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 3gxk h ASP 176 CO -0.08 0.32 0.25 0.58 -2.88 0.00 0.00 179.24 177.42 3gxk h VAL 177 N -0.06 1.26 -0.34 2.25 2.07 -1.01 -1.15 116.25 119.27 3gxk h VAL 177 Ca 0.03 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3gxk h VAL 177 Cb 0.23 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3gxk h VAL 177 CO -0.00 0.35 0.17 0.58 0.02 0.00 0.00 177.57 178.69 3gxk h VAL 178 N 1.10 1.15 -0.55 2.57 2.07 -0.52 -0.73 116.25 121.33 3gxk h VAL 178 Ca 0.24 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 3gxk h VAL 178 Cb 0.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3gxk h VAL 178 CO -0.01 0.16 -0.09 0.00 0.02 0.00 0.00 177.57 177.64 3gxk h ALA 179 N 1.03 0.76 -0.41 1.67 0.00 -1.13 0.28 119.26 121.45 3gxk h ALA 179 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3gxk h ALA 179 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gxk h ALA 179 CO -0.02 0.66 0.25 0.00 0.00 0.00 0.00 179.25 180.15 3gxk h ARG 180 N 0.92 0.49 -0.81 0.00 3.08 -1.13 -2.24 114.38 114.69 3gxk h ARG 180 Ca 0.15 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.21 3gxk h ARG 180 Cb 0.66 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 3gxk h ARG 180 CO 0.05 0.33 0.53 0.00 -1.07 0.00 0.00 179.97 179.81 3gxk h ALA 181 N 1.18 1.55 -0.49 0.04 0.00 -0.70 -0.77 119.26 120.08 3gxk h ALA 181 Ca 0.16 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3gxk h ALA 181 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3gxk h ALA 181 CO -0.07 0.34 -0.08 1.96 0.00 0.00 0.00 179.25 181.40 3gxk h GLN 182 N 0.95 0.88 -0.02 0.00 4.20 -0.72 0.14 115.11 120.53 3gxk h GLN 182 Ca 0.34 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3gxk h GLN 182 Cb 0.13 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3gxk h GLN 182 CO -0.11 0.93 0.01 2.35 -0.67 0.00 0.00 178.83 181.34 3gxk h TRP 183 N 0.79 0.04 -0.64 2.96 7.01 -1.02 -2.82 115.95 122.28 3gxk h TRP 183 Ca 0.14 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 3gxk h TRP 183 Cb 0.59 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 3gxk h TRP 183 CO 0.03 0.15 0.39 1.88 -2.79 0.00 0.00 178.44 178.11 3gxk h TYR 184 N -0.09 0.82 -0.81 2.65 0.05 -0.86 -2.21 116.97 116.52 3gxk h TYR 184 Ca 0.01 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 3gxk h TYR 184 Cb 0.13 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 3gxk h TYR 184 CO -0.03 0.54 0.51 -0.22 -1.05 0.00 0.00 178.16 177.92 3gxk h LYS 185 N 0.87 0.95 0.00 4.88 1.63 -0.68 -0.58 116.57 123.65 3gxk h LYS 185 Ca 0.23 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3gxk h LYS 185 Cb -0.05 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 3gxk h LYS 185 CO -0.04 0.63 0.00 0.36 -3.45 0.00 0.00 179.45 176.95 3gxk n LYS 186 N -4.60 0.78 -2.67 1.90 2.85 -0.87 -4.21 118.16 111.34 3gxk n LYS 186 Ca 0.10 0.01 -0.08 0.00 -1.05 0.00 0.00 58.31 57.29 3gxk n LYS 186 Cb 0.11 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.03 3gxk n LYS 186 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gxk n ASN 187 N -1.05 2.05 0.00 -5.58 3.02 -0.29 -4.98 115.26 108.44 3gxk n ASN 187 Ca 0.19 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 3gxk n ASN 187 Cb 0.11 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 -0.37 0.99 0.25 7.41 0.00 -1.14 -4.90 105.19 107.43 3gxk n GLY 188 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 3gxk n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01