#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxr h ILE 8 N 0.00 0.88 0.00 5.18 6.09 -1.98 -1.44 117.51 126.25 3gxr h ILE 8 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 3gxr h ILE 8 Cb 0.00 0.23 0.00 0.00 0.47 0.00 0.00 36.82 37.52 3gxr h ILE 8 CO 0.00 0.11 0.00 0.71 -3.07 0.00 0.00 178.15 175.90 3gxr h THR 9 N 0.60 0.00 -0.33 2.19 1.35 -1.97 -3.06 112.91 111.69 3gxr h THR 9 Ca 0.37 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 3gxr h THR 9 Cb 0.60 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3gxr h THR 9 CO -0.14 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.13 3gxr n GLN 10 N -2.68 2.88 -2.93 4.72 1.13 -0.54 -4.96 117.38 115.00 3gxr n GLN 10 Ca -0.01 -2.05 -0.40 0.00 -1.94 0.00 0.00 57.00 52.60 3gxr n GLN 10 Cb 0.12 -1.27 -0.05 0.00 0.11 0.00 0.00 30.24 29.15 3gxr n GLN 10 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxr s VAL 11 N -1.05 4.80 0.21 5.09 1.01 -1.16 -4.95 120.40 124.35 3gxr s VAL 11 Ca 0.23 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 3gxr s VAL 11 Cb 0.12 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3gxr s VAL 11 CO 0.15 0.30 1.13 -1.83 0.00 0.00 0.00 175.10 174.85 3gxr s GLU 12 N 0.32 4.57 -0.01 2.72 -1.05 -1.26 -5.02 118.70 118.98 3gxr s GLU 12 Ca 0.41 1.79 -0.01 0.00 -0.15 0.00 0.00 54.97 57.01 3gxr s GLU 12 Cb -0.20 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 3gxr s GLU 12 CO 0.23 0.06 0.03 -0.08 0.95 0.00 0.00 175.26 176.45 3gxr s THR 13 N -0.43 0.01 -2.33 1.83 -1.32 -1.26 -4.92 115.64 107.22 3gxr s THR 13 Ca 0.49 -0.11 0.23 0.00 -1.21 0.00 0.00 61.69 61.09 3gxr s THR 13 Cb -0.31 -0.09 0.49 0.00 -1.51 0.00 0.00 72.50 71.08 3gxr s THR 13 CO 0.37 -0.06 1.45 -1.54 -2.21 0.00 0.00 174.62 172.63 3gxr n SER 14 N 2.88 3.49 0.00 8.08 3.41 -1.26 -4.91 113.62 125.31 3gxr n SER 14 Ca -0.14 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3gxr n SER 14 Cb 0.59 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3gxr n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxr n GLY 15 N 1.53 1.49 3.87 5.00 0.00 -1.24 -3.70 105.19 112.15 3gxr n GLY 15 Ca 0.21 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3gxr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxr s ALA 16 N -1.96 3.37 0.60 4.61 0.00 -0.82 -3.26 121.76 124.30 3gxr s ALA 16 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 3gxr s ALA 16 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3gxr s ALA 16 CO 0.00 0.06 1.02 -1.54 0.00 0.00 0.00 175.76 175.31 3gxr s SER 17 N -3.03 6.20 0.49 0.00 1.04 -1.26 -0.38 113.70 116.75 3gxr s SER 17 Ca 0.51 1.50 0.15 0.00 0.48 0.00 0.00 55.95 58.59 3gxr s SER 17 Cb -0.10 -2.49 1.15 0.00 0.10 0.00 0.00 66.02 64.68 3gxr s SER 17 CO 0.29 -0.89 2.08 0.77 0.98 0.00 0.00 173.24 176.48 3gxr h SER 18 N -0.02 0.00 -0.16 7.02 4.64 -1.92 -1.44 113.55 121.68 3gxr h SER 18 Ca -0.45 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.88 3gxr h SER 18 Cb 1.19 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3gxr h SER 18 CO 0.61 0.08 0.07 0.50 -0.87 0.00 0.00 176.83 177.22 3gxr h LYS 19 N 0.01 0.15 -0.53 4.77 3.11 -1.94 -2.94 116.57 119.19 3gxr h LYS 19 Ca 0.00 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.72 3gxr h LYS 19 Cb 0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 3gxr h LYS 19 CO 0.01 0.10 -0.11 1.15 -2.81 0.00 0.00 179.45 177.79 3gxr h THR 20 N 0.15 1.27 0.00 1.00 2.02 -1.69 -2.82 112.91 112.84 3gxr h THR 20 Ca 0.06 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 3gxr h THR 20 Cb 0.02 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3gxr h THR 20 CO -0.05 0.44 -0.06 0.28 0.37 0.00 0.00 175.52 176.50 3gxr h SER 21 N 0.89 0.00 0.31 4.18 0.02 -1.27 -0.70 113.55 116.98 3gxr h SER 21 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3gxr h SER 21 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3gxr h SER 21 CO 0.05 0.06 0.00 0.54 -1.14 0.00 0.00 176.83 176.34 3gxr n ARG 22 N -4.24 0.14 -0.33 3.45 5.12 -1.06 -2.09 116.66 117.66 3gxr n ARG 22 Ca -0.03 0.19 0.03 0.00 -1.93 0.00 0.00 57.85 56.11 3gxr n ARG 22 Cb 0.14 -1.50 0.21 0.00 -1.16 0.00 0.00 32.46 30.15 3gxr n ARG 22 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3gxr h GLN 23 N 0.00 1.07 -0.52 5.56 4.20 -1.25 0.61 115.11 124.77 3gxr h GLN 23 Ca 0.00 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3gxr h GLN 23 Cb 0.15 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3gxr h GLN 23 CO 0.00 0.71 0.04 -0.25 -0.67 0.00 0.00 178.83 178.66 3gxr n ASP 24 N -4.48 5.10 -2.13 1.46 10.43 -0.89 -4.92 116.55 121.13 3gxr n ASP 24 Ca 0.14 -3.02 -0.20 0.00 2.57 0.00 0.00 54.79 54.28 3gxr n ASP 24 Cb 0.17 -0.66 -0.04 0.00 1.84 0.00 0.00 41.12 42.44 3gxr n ASP 24 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3gxr n LYS 25 N 0.19 -1.64 -2.50 -1.24 5.02 0.20 -4.96 118.16 113.23 3gxr n LYS 25 Ca 0.28 1.04 -0.41 0.00 -2.02 0.00 0.00 58.31 57.20 3gxr n LYS 25 Cb 1.16 -5.60 -0.04 0.00 -0.02 0.00 0.00 35.03 30.52 3gxr n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxr s LEU 26 N -5.54 4.49 -0.37 -0.35 1.02 -0.92 -4.94 118.68 112.07 3gxr s LEU 26 Ca 0.00 2.12 0.05 0.00 0.02 0.00 0.00 54.13 56.32 3gxr s LEU 26 Cb 0.00 -3.61 0.64 0.00 0.02 0.00 0.00 46.19 43.24 3gxr s LEU 26 CO 0.00 -0.22 1.80 -0.62 0.02 0.00 0.00 176.35 177.33 3gxr n GLU 27 N 2.24 2.63 -3.87 1.70 1.02 -1.26 -4.32 120.64 118.78 3gxr n GLU 27 Ca 0.02 -2.77 -0.09 0.00 -0.02 0.00 0.00 57.16 54.30 3gxr n GLU 27 Cb 0.46 -2.10 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 3gxr n GLU 27 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3gxr s TYR 28 N -2.93 0.20 0.00 -0.32 -0.85 -1.26 -5.19 117.35 107.00 3gxr s TYR 28 Ca 0.52 -0.58 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 3gxr s TYR 28 Cb 0.43 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.79 3gxr s TYR 28 CO 0.11 -0.68 0.00 -0.40 -1.52 0.00 0.00 175.55 173.06 3gxr n ASP 29 N -0.18 0.62 0.00 -0.18 5.68 -1.26 -4.69 116.55 116.54 3gxr n ASP 29 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 3gxr n ASP 29 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 3gxr n ASP 29 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxr n GLY 30 N 3.45 0.26 0.29 6.12 0.00 0.49 -2.57 105.19 113.23 3gxr n GLY 30 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 46.02 45.10 3gxr n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gxr h VAL 31 N 0.00 1.19 -0.10 1.61 2.07 -1.86 -1.07 116.25 118.09 3gxr h VAL 31 Ca 0.00 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3gxr h VAL 31 Cb 0.00 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3gxr h VAL 31 CO 0.00 0.25 0.02 0.03 0.02 0.00 0.00 177.57 177.89 3gxr h ARG 32 N 0.62 0.06 -0.39 1.57 3.08 -1.94 0.18 114.38 117.55 3gxr h ARG 32 Ca 0.14 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3gxr h ARG 32 Cb 0.24 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3gxr h ARG 32 CO -0.00 0.04 0.22 0.00 -1.07 0.00 0.00 179.97 179.16 3gxr h ALA 33 N 1.07 0.49 -0.37 0.04 0.00 -1.17 -1.93 119.26 117.40 3gxr h ALA 33 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gxr h ALA 33 Cb 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3gxr h ALA 33 CO -0.06 -0.12 0.13 0.77 0.00 0.00 0.00 179.25 179.97 3gxr h SER 34 N 0.45 0.14 -0.92 0.00 0.02 -0.78 -1.82 113.55 110.64 3gxr h SER 34 Ca 0.16 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3gxr h SER 34 Cb 0.03 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 3gxr h SER 34 CO -0.08 0.12 0.61 0.45 -1.14 0.00 0.00 176.83 176.78 3gxr h HIS 35 N 0.29 1.15 -0.49 3.45 -0.00 -0.83 -0.67 115.15 118.05 3gxr h HIS 35 Ca 0.17 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.47 3gxr h HIS 35 Cb 0.14 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 3gxr h HIS 35 CO -0.14 0.72 -0.07 1.15 -0.00 0.00 0.00 177.93 179.58 3gxr h THR 36 N 1.24 1.26 -0.08 2.45 2.02 -0.93 -0.48 112.91 118.39 3gxr h THR 36 Ca 0.34 -1.16 -0.19 0.00 0.77 0.00 0.00 66.41 66.16 3gxr h THR 36 Cb -0.14 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3gxr h THR 36 CO -0.08 0.41 -0.77 0.24 0.37 0.00 0.00 175.52 175.69 3gxr h MET 37 N 0.79 0.45 0.08 6.66 2.86 -0.85 -0.36 114.93 124.57 3gxr h MET 37 Ca 0.14 -0.39 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3gxr h MET 37 Cb 0.58 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3gxr h MET 37 CO 0.04 1.03 -0.09 0.00 1.06 0.00 0.00 176.91 178.94 3gxr h ALA 38 N 0.86 -0.17 -0.59 6.32 0.00 -0.96 -2.52 119.26 122.20 3gxr h ALA 38 Ca -0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3gxr h ALA 38 Cb 1.36 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3gxr h ALA 38 CO 0.14 -0.61 0.36 0.37 0.00 0.00 0.00 179.25 179.50 3gxr h GLN 39 N -0.21 0.70 -1.01 0.00 4.15 -0.83 -0.69 115.11 117.21 3gxr h GLN 39 Ca 0.01 -0.04 0.25 0.00 0.77 0.00 0.00 58.65 59.64 3gxr h GLN 39 Cb 0.20 -0.16 -0.09 0.00 0.21 0.00 0.00 27.48 27.65 3gxr h GLN 39 CO -0.04 0.46 0.66 1.15 -1.93 0.00 0.00 178.83 179.13 3gxr h THR 40 N 0.72 0.57 -0.01 2.39 2.02 -0.89 -1.33 112.91 116.36 3gxr h THR 40 Ca 0.23 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3gxr h THR 40 Cb 0.01 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3gxr h THR 40 CO -0.09 0.07 -0.20 0.47 0.37 0.00 0.00 175.52 176.14 3gxr n ASP 41 N -4.59 1.65 -0.07 4.18 8.00 -0.31 -4.48 116.55 120.93 3gxr n ASP 41 Ca 0.24 -1.34 -0.01 0.00 0.71 0.00 0.00 54.79 54.38 3gxr n ASP 41 Cb 0.83 0.16 0.24 0.00 -0.02 0.00 0.00 41.12 42.33 3gxr n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxr h ALA 42 N 4.04 1.30 -0.06 2.24 0.00 -0.75 0.17 119.26 126.20 3gxr h ALA 42 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gxr h ALA 42 Cb 0.63 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gxr h ALA 42 CO 0.00 0.49 -0.10 0.78 0.00 0.00 0.00 179.25 180.42 3gxr h GLY 43 N 0.90 0.19 0.80 0.00 0.00 -1.78 -2.85 103.07 100.32 3gxr h GLY 43 Ca 0.15 -0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.33 3gxr h GLY 43 CO 0.00 0.19 0.60 3.21 0.00 0.00 0.00 176.54 180.54 3gxr h ARG 44 N -0.30 0.99 0.00 4.80 3.08 -1.79 -2.71 114.38 118.45 3gxr h ARG 44 Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3gxr h ARG 44 Cb 0.65 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3gxr h ARG 44 CO 0.02 0.65 -0.06 1.98 -1.07 0.00 0.00 179.97 181.49 3gxr h MET 45 N 1.02 0.00 -0.86 0.04 4.05 -0.45 -3.16 114.93 115.57 3gxr h MET 45 Ca 0.40 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.95 3gxr h MET 45 Cb 0.24 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.98 3gxr h MET 45 CO -0.16 0.06 0.56 1.49 0.23 0.00 0.00 176.91 179.09 3gxr h GLU 46 N 0.00 0.69 0.00 0.39 4.57 -1.26 -0.74 114.58 118.23 3gxr h GLU 46 Ca -0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3gxr h GLU 46 Cb 0.11 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3gxr h GLU 46 CO 0.01 0.46 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.06 3gxr h LYS 47 N 0.71 0.00 -0.51 1.92 3.64 -1.74 -1.59 116.57 119.00 3gxr h LYS 47 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3gxr h LYS 47 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3gxr h LYS 47 CO -0.18 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.67 3gxr n TYR 48 N -3.84 0.68 -0.13 1.91 4.01 -0.29 -4.72 117.16 114.79 3gxr n TYR 48 Ca -0.03 -0.45 -0.09 0.00 -0.16 0.00 0.00 57.90 57.17 3gxr n TYR 48 Cb 0.10 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 3gxr n TYR 48 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3gxr h LYS 49 N 3.36 0.60 -0.28 -0.72 3.64 -1.25 0.11 116.57 122.02 3gxr h LYS 49 Ca 0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3gxr h LYS 49 Cb 0.87 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3gxr h LYS 49 CO 0.00 0.60 0.14 0.66 -2.27 0.00 0.00 179.45 178.58 3gxr h SER 50 N 0.48 0.36 0.08 4.20 4.64 -1.84 -1.27 113.55 120.20 3gxr h SER 50 Ca 0.13 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3gxr h SER 50 Cb 0.24 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3gxr h SER 50 CO -0.01 0.37 -0.18 -0.26 -0.87 0.00 0.00 176.83 175.89 3gxr h PHE 51 N 0.32 -0.46 -0.41 4.77 0.04 -1.80 -0.75 116.94 118.65 3gxr h PHE 51 Ca 0.10 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.96 3gxr h PHE 51 Cb 0.10 0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.37 3gxr h PHE 51 CO -0.02 -0.26 -0.07 0.82 -0.60 0.00 0.00 178.31 178.18 3gxr h ILE 52 N -0.33 0.62 -0.44 -0.55 2.04 -0.92 0.45 117.51 118.37 3gxr h ILE 52 Ca 0.03 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3gxr h ILE 52 Cb 0.36 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3gxr h ILE 52 CO -0.11 0.01 0.26 0.78 0.00 0.00 0.00 178.15 179.08 3gxr h ASN 53 N 0.03 0.54 0.01 1.72 2.35 -1.09 -0.62 115.58 118.52 3gxr h ASN 53 Ca 0.20 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3gxr h ASN 53 Cb 0.30 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 3gxr h ASN 53 CO -0.39 0.45 -0.26 0.78 -1.65 0.00 0.00 177.43 176.36 3gxr h ASN 54 N 0.58 -0.76 -0.54 5.81 -0.26 -0.77 -1.83 115.58 117.81 3gxr h ASN 54 Ca 0.16 0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.93 3gxr h ASN 54 Cb 0.02 0.31 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 3gxr h ASN 54 CO -0.03 -0.33 0.07 0.58 -1.06 0.00 0.00 177.43 176.67 3gxr h VAL 55 N -0.40 1.25 0.21 2.81 2.07 -0.87 -1.92 116.25 119.40 3gxr h VAL 55 Ca 0.06 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3gxr h VAL 55 Cb 0.48 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3gxr h VAL 55 CO -0.22 0.36 -0.23 0.00 0.02 0.00 0.00 177.57 177.50 3gxr h ALA 56 N 1.18 -0.46 -0.46 1.67 0.00 -0.98 -1.88 119.26 118.33 3gxr h ALA 56 Ca 0.18 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3gxr h ALA 56 Cb 0.42 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3gxr h ALA 56 CO 0.01 -0.79 0.24 0.87 0.00 0.00 0.00 179.25 179.58 3gxr h LYS 57 N -0.49 0.47 -1.00 0.00 1.57 -1.13 0.12 116.57 116.10 3gxr h LYS 57 Ca 0.00 -0.03 0.22 0.00 -1.87 0.00 0.00 60.65 58.97 3gxr h LYS 57 Cb 0.46 -0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.55 3gxr h LYS 57 CO -0.07 0.31 0.61 -0.22 -0.57 0.00 0.00 179.45 179.51 3gxr h LYS 58 N 0.48 0.65 -0.01 3.15 3.64 -1.13 -3.13 116.57 120.22 3gxr h LYS 58 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3gxr h LYS 58 Cb 0.09 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3gxr h LYS 58 CO -0.13 0.43 -0.30 0.72 -2.27 0.00 0.00 179.45 177.90 3gxr n HIS 59 N -4.80 0.00 -3.63 1.91 8.25 -0.73 -4.99 115.22 111.23 3gxr n HIS 59 Ca 0.25 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.51 3gxr n HIS 59 Cb 0.66 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.81 3gxr n HIS 59 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gxr n VAL 60 N -0.03 -4.97 -5.17 1.59 0.31 -0.03 -5.03 118.33 105.00 3gxr n VAL 60 Ca 0.07 -0.53 -0.30 0.00 -0.01 0.00 0.00 64.34 63.57 3gxr n VAL 60 Cb 0.34 -4.14 -0.16 0.00 -0.91 0.00 0.00 33.84 28.98 3gxr n VAL 60 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gxr s VAL 61 N -3.59 2.02 0.15 2.52 1.01 -0.96 -5.07 120.40 116.48 3gxr s VAL 61 Ca 0.02 -1.16 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 3gxr s VAL 61 Cb -0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 3gxr s VAL 61 CO 0.79 0.51 1.34 -0.62 0.00 0.00 0.00 175.10 177.12 3gxr s ASP 62 N -0.76 6.87 0.42 3.32 -1.08 -1.26 -4.47 116.67 119.71 3gxr s ASP 62 Ca 0.10 2.35 0.17 0.00 -0.52 0.00 0.00 52.55 54.65 3gxr s ASP 62 Cb -0.10 -2.60 1.08 0.00 -1.46 0.00 0.00 42.92 39.85 3gxr s ASP 62 CO -0.00 -0.58 1.86 1.55 0.52 0.00 0.00 175.17 178.52 3gxr h PRO 63 N 6.10 0.40 -0.06 4.34 0.13 -1.87 0.29 132.00 141.32 3gxr h PRO 63 Ca -0.43 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 3gxr h PRO 63 Cb 1.21 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3gxr h PRO 63 CO 0.82 0.26 -0.44 0.00 -0.23 0.00 0.00 178.00 178.41 3gxr h ALA 64 N 1.61 1.15 -0.24 -0.56 0.00 -1.89 -0.66 119.26 118.67 3gxr h ALA 64 Ca 0.46 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3gxr h ALA 64 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3gxr h ALA 64 CO -0.17 0.59 -0.00 0.28 0.00 0.00 0.00 179.25 179.95 3gxr h VAL 65 N 0.12 1.26 -0.28 0.00 2.07 -1.24 0.93 116.25 119.10 3gxr h VAL 65 Ca 0.01 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3gxr h VAL 65 Cb 0.82 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 3gxr h VAL 65 CO 0.06 0.28 0.06 0.40 0.02 0.00 0.00 177.57 178.40 3gxr h ILE 66 N 0.20 0.88 -0.53 4.57 2.04 -1.34 0.12 117.51 123.44 3gxr h ILE 66 Ca 0.07 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3gxr h ILE 66 Cb 0.41 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3gxr h ILE 66 CO 0.01 0.03 0.28 0.00 0.00 0.00 0.00 178.15 178.47 3gxr h ALA 67 N 1.20 0.68 -0.85 1.87 0.00 -1.02 -1.17 119.26 119.97 3gxr h ALA 67 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3gxr h ALA 67 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3gxr h ALA 67 CO -0.16 -0.05 0.46 0.00 0.00 0.00 0.00 179.25 179.49 3gxr h ALA 68 N 1.28 1.20 -0.38 0.00 0.00 -0.25 -0.29 119.26 120.81 3gxr h ALA 68 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gxr h ALA 68 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gxr h ALA 68 CO -0.15 0.64 0.15 0.82 0.00 0.00 0.00 179.25 180.71 3gxr h ILE 69 N 1.20 1.20 -0.71 0.00 2.04 -0.22 -0.40 117.51 120.61 3gxr h ILE 69 Ca 0.30 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3gxr h ILE 69 Cb 0.04 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3gxr h ILE 69 CO -0.05 0.22 0.42 0.40 0.00 0.00 0.00 178.15 179.15 3gxr h ILE 70 N 0.47 1.21 0.03 -0.67 2.04 -0.94 0.15 117.51 119.80 3gxr h ILE 70 Ca 0.13 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3gxr h ILE 70 Cb 0.20 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3gxr h ILE 70 CO -0.01 0.22 -0.06 -1.28 0.00 0.00 0.00 178.15 177.01 3gxr h SER 71 N 0.97 -0.18 -0.46 1.72 0.87 -0.81 -1.21 113.55 114.46 3gxr h SER 71 Ca 0.26 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 3gxr h SER 71 Cb -0.02 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3gxr h SER 71 CO -0.05 -0.10 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.00 3gxr h ARG 72 N -0.13 0.86 -0.06 2.24 9.65 -0.67 -0.46 114.38 125.81 3gxr h ARG 72 Ca 0.02 -0.30 -0.14 0.00 -1.10 0.00 0.00 59.98 58.45 3gxr h ARG 72 Cb 0.14 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3gxr h ARG 72 CO -0.04 0.94 -0.51 0.93 2.80 0.00 0.00 179.97 184.08 3gxr h GLU 73 N 0.70 0.45 0.00 0.20 4.39 -0.70 -3.40 114.58 116.22 3gxr h GLU 73 Ca 0.12 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3gxr h GLU 73 Cb 0.59 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3gxr h GLU 73 CO 0.04 1.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.80 3gxr n SER 74 N -4.26 0.25 -3.71 1.42 3.41 -0.50 -4.92 113.62 105.31 3gxr n SER 74 Ca -0.09 -0.77 -0.24 0.00 -0.26 0.00 0.00 58.87 57.51 3gxr n SER 74 Cb 0.61 0.10 0.05 0.00 -0.26 0.00 0.00 64.21 64.71 3gxr n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gxr n ARG 75 N -0.10 -6.03 -3.96 4.33 5.12 -0.18 -1.24 116.66 114.60 3gxr n ARG 75 Ca 0.00 0.69 -0.28 0.00 -1.93 0.00 0.00 57.85 56.33 3gxr n ARG 75 Cb 0.12 -5.54 -0.00 0.00 -1.16 0.00 0.00 32.46 25.88 3gxr n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gxr n ALA 76 N -4.54 -1.68 0.00 7.54 0.00 -0.96 -1.85 120.51 119.03 3gxr n ALA 76 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gxr n ALA 76 Cb 0.60 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.36 3gxr n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxr n GLY 77 N -1.72 2.26 0.27 0.00 0.00 -0.73 -4.75 105.19 100.52 3gxr n GLY 77 Ca -0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.04 3gxr n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gxr h ASN 78 N 0.00 0.00 -0.03 1.61 -0.00 -0.41 -0.57 115.58 116.19 3gxr h ASN 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3gxr h ASN 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3gxr h ASN 78 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.43 178.76 3gxr n VAL 79 N -3.10 0.02 0.00 2.57 0.24 -1.03 -4.62 118.33 112.42 3gxr n VAL 79 Ca 0.01 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3gxr n VAL 79 Cb 0.34 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 3gxr n VAL 79 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3gxr n ILE 80 N 0.91 0.00 0.28 1.34 -5.35 -0.94 -4.78 119.36 110.81 3gxr n ILE 80 Ca 0.10 -0.41 0.18 0.00 -0.27 0.00 0.00 62.75 62.34 3gxr n ILE 80 Cb 0.40 0.94 0.75 0.00 -1.74 0.00 0.00 39.64 40.00 3gxr n ILE 80 CO 0.00 0.00 0.00 2.19 -1.76 0.00 0.00 176.55 176.98 3gxr h PHE 81 N 0.00 0.00 -0.02 4.28 -5.15 -1.37 0.20 116.94 114.88 3gxr h PHE 81 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gxr h PHE 81 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3gxr h PHE 81 CO 0.00 0.02 0.00 0.27 -2.00 0.00 0.00 178.31 176.60 3gxr n ASN 82 N -3.13 2.24 -4.81 -0.68 6.94 -1.26 -4.69 115.26 109.86 3gxr n ASN 82 Ca -0.00 -2.47 -0.31 0.00 -0.02 0.00 0.00 54.58 51.78 3gxr n ASN 82 Cb 0.28 -0.20 0.06 0.00 -2.36 0.00 0.00 39.78 37.56 3gxr n ASN 82 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3gxr s THR 83 N -1.81 3.79 -0.21 5.53 -4.23 -1.17 -4.97 115.64 112.57 3gxr s THR 83 Ca 0.15 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.25 3gxr s THR 83 Cb 0.13 -3.28 0.05 0.00 1.34 0.00 0.00 72.50 70.73 3gxr s THR 83 CO 0.02 -0.76 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.37 3gxr s THR 84 N -3.04 1.60 0.78 3.99 2.01 -1.26 -1.62 115.64 118.10 3gxr s THR 84 Ca 0.59 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 3gxr s THR 84 Cb -0.15 -1.75 0.06 0.00 0.01 0.00 0.00 72.50 70.67 3gxr s THR 84 CO 0.55 0.06 1.09 -2.16 -0.69 0.00 0.00 174.62 173.47 3gxr s PRO 85 N 1.39 2.18 0.47 4.92 0.04 -1.26 -5.07 135.00 137.68 3gxr s PRO 85 Ca -0.03 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 61.93 3gxr s PRO 85 Cb -0.17 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3gxr s PRO 85 CO -0.07 -1.69 1.25 -2.14 0.04 0.00 0.00 177.00 174.39 3gxr s PRO 86 N -4.90 3.64 0.00 0.56 0.02 -0.64 -4.10 135.00 129.58 3gxr s PRO 86 Ca 0.61 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3gxr s PRO 86 Cb -0.17 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.89 3gxr s PRO 86 CO 0.56 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 3gxr n GLY 87 N 0.58 0.95 3.92 0.52 0.00 0.70 -4.78 105.19 107.08 3gxr n GLY 87 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3gxr n GLY 87 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gxr s TRP 88 N -2.00 3.52 0.27 1.61 0.52 -1.26 -0.37 118.94 121.23 3gxr s TRP 88 Ca 0.00 0.26 -0.09 0.00 0.02 0.00 0.00 56.10 56.29 3gxr s TRP 88 Cb 0.00 -1.77 0.04 0.00 -1.15 0.00 0.00 33.47 30.59 3gxr s TRP 88 CO 0.00 0.59 0.52 0.41 0.02 0.00 0.00 176.95 178.48 3gxr n GLY 89 N 0.28 1.47 3.98 0.98 0.00 -0.08 -4.69 105.19 107.13 3gxr n GLY 89 Ca -0.05 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 3gxr n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gxr n ASP 90 N -1.43 -3.68 -3.45 1.61 2.03 -1.26 -1.44 116.55 108.93 3gxr n ASP 90 Ca -0.05 -1.20 -0.21 0.00 0.52 0.00 0.00 54.79 53.85 3gxr n ASP 90 Cb 0.41 -2.25 0.08 0.00 -0.72 0.00 0.00 41.12 38.64 3gxr n ASP 90 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gxr n ASN 91 N -2.43 -4.81 -1.76 1.67 3.02 -1.26 -1.98 115.26 107.70 3gxr n ASN 91 Ca -0.14 -0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 53.72 3gxr n ASN 91 Cb 0.59 -4.92 -0.04 0.00 -0.61 0.00 0.00 39.78 34.80 3gxr n ASN 91 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gxr n TYR 92 N -4.63 -0.69 -0.03 3.10 4.02 -0.90 -4.84 117.16 113.20 3gxr n TYR 92 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.71 3gxr n TYR 92 Cb 0.59 -2.76 -0.14 0.00 -0.02 0.00 0.00 39.34 37.01 3gxr n TYR 92 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3gxr n ASN 93 N -1.02 0.84 -4.56 7.72 5.03 -0.84 -4.90 115.26 117.53 3gxr n ASN 93 Ca -0.15 0.38 -0.34 0.00 0.87 0.00 0.00 54.58 55.35 3gxr n ASN 93 Cb 0.51 -0.01 -0.11 0.00 -1.02 0.00 0.00 39.78 39.15 3gxr n ASN 93 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3gxr s GLY 94 N -5.14 1.74 -0.04 7.41 0.00 -0.52 -0.01 107.32 110.76 3gxr s GLY 94 Ca -0.05 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 43.89 3gxr s GLY 94 CO 0.82 -0.35 -0.21 -0.12 0.00 0.00 0.00 173.10 173.24 3gxr s PHE 95 N -0.25 2.02 0.00 1.90 5.36 -0.06 -0.90 117.98 126.04 3gxr s PHE 95 Ca 0.04 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 3gxr s PHE 95 Cb -0.13 -1.32 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 3gxr s PHE 95 CO 0.02 -0.13 0.00 0.41 -1.46 0.00 0.00 175.22 174.06 3gxr n GLY 96 N 2.87 0.82 0.40 13.12 0.00 0.50 -0.65 105.19 122.25 3gxr n GLY 96 Ca -0.17 -1.96 0.23 0.00 0.00 0.00 0.00 46.02 44.12 3gxr n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gxr h LEU 97 N 0.00 0.48 -1.85 0.99 3.38 -1.51 -1.19 115.31 115.61 3gxr h LEU 97 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gxr h LEU 97 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gxr h LEU 97 CO 0.00 0.07 0.00 0.23 0.09 0.00 0.00 178.44 178.83 3gxr n MET 98 N -4.69 1.24 -3.14 1.13 2.81 -1.26 -3.74 117.12 109.47 3gxr n MET 98 Ca 0.27 -1.44 -0.12 0.00 -1.81 0.00 0.00 57.70 54.60 3gxr n MET 98 Cb 0.89 -1.24 0.06 0.00 -0.71 0.00 0.00 33.22 32.22 3gxr n MET 98 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3gxr n GLN 99 N 0.62 -2.02 -1.94 0.03 1.13 -0.45 -4.95 117.38 109.80 3gxr n GLN 99 Ca 0.08 0.92 -0.42 0.00 -1.94 0.00 0.00 57.00 55.64 3gxr n GLN 99 Cb 0.33 -5.62 -0.03 0.00 0.11 0.00 0.00 30.24 25.02 3gxr n GLN 99 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxr s VAL 100 N -3.32 3.01 -0.17 5.09 1.01 0.18 -4.37 120.40 121.83 3gxr s VAL 100 Ca 0.38 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 3gxr s VAL 100 Cb -0.05 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 3gxr s VAL 100 CO 0.71 0.00 0.99 -0.62 0.00 0.00 0.00 175.10 176.19 3gxr s ASP 101 N 2.20 7.14 0.26 3.32 -1.08 -1.26 -0.88 116.67 126.36 3gxr s ASP 101 Ca 0.73 1.41 0.25 0.00 -0.52 0.00 0.00 52.55 54.42 3gxr s ASP 101 Cb -0.40 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.47 3gxr s ASP 101 CO 0.32 -0.54 1.74 2.29 0.52 0.00 0.00 175.17 179.50 3gxr n LYS 102 N 5.61 0.23 0.15 4.34 2.85 0.98 -2.10 118.16 130.22 3gxr n LYS 102 Ca 0.09 0.37 0.13 0.00 -1.05 0.00 0.00 58.31 57.86 3gxr n LYS 102 Cb 0.48 -1.87 0.48 0.00 -0.65 0.00 0.00 35.03 33.46 3gxr n LYS 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gxr h ARG 103 N 0.00 0.00 0.00 -1.58 -0.00 -1.91 -3.34 114.38 107.55 3gxr h ARG 103 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3gxr h ARG 103 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.46 3gxr h ARG 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.97 180.63 3gxr n TYR 104 N -2.43 0.00 -3.82 3.04 4.01 -0.96 -5.05 117.16 111.95 3gxr n TYR 104 Ca 0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 3gxr n TYR 104 Cb 0.31 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.24 3gxr n TYR 104 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3gxr s HIS 105 N -0.45 -0.10 -0.59 -0.72 3.76 -0.89 -5.08 115.29 111.22 3gxr s HIS 105 Ca 0.00 0.17 -0.24 0.00 -0.15 0.00 0.00 55.06 54.84 3gxr s HIS 105 Cb 0.00 0.03 0.05 0.00 1.11 0.00 0.00 32.58 33.76 3gxr s HIS 105 CO 0.00 -0.27 0.98 -2.00 -0.85 0.00 0.00 174.74 172.60 3gxr s GLU 106 N -0.96 3.28 0.12 1.40 -6.30 -1.26 -4.12 118.70 110.86 3gxr s GLU 106 Ca -0.10 -0.37 -0.31 0.00 -2.50 0.00 0.00 54.97 51.68 3gxr s GLU 106 Cb -0.05 -4.10 -0.09 0.00 0.00 0.00 0.00 34.13 29.88 3gxr s GLU 106 CO 0.02 -1.61 1.66 -2.14 0.02 0.00 0.00 175.26 173.20 3gxr s PRO 107 N 4.14 4.19 -0.08 4.30 0.02 -1.26 -4.99 135.00 141.32 3gxr s PRO 107 Ca 0.29 2.40 -0.04 0.00 0.02 0.00 0.00 61.00 63.67 3gxr s PRO 107 Cb -0.13 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 3gxr s PRO 107 CO 0.17 -0.71 0.10 1.03 -0.33 0.00 0.00 177.00 177.26 3gxr s ARG 108 N 2.05 3.26 0.00 5.54 1.81 -1.26 -5.07 118.95 125.29 3gxr s ARG 108 Ca 0.74 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.47 3gxr s ARG 108 Cb -0.43 -3.02 0.00 0.00 -0.45 0.00 0.00 34.95 31.05 3gxr s ARG 108 CO 0.32 0.73 0.00 0.41 -0.68 0.00 0.00 175.30 176.08 3gxr n GLY 109 N 1.78 -0.05 3.71 -3.53 0.00 -1.26 -3.61 105.19 102.23 3gxr n GLY 109 Ca -0.18 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 3gxr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxr s ALA 110 N -2.50 2.03 0.55 4.61 0.00 -1.26 -4.85 121.76 120.33 3gxr s ALA 110 Ca 0.00 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.15 3gxr s ALA 110 Cb 0.00 -3.51 1.47 0.00 0.00 0.00 0.00 23.12 21.08 3gxr s ALA 110 CO 0.00 -2.05 2.16 0.11 0.00 0.00 0.00 175.76 175.98 3gxr h TRP 111 N -0.40 0.00 -0.60 0.00 5.08 -1.90 -1.72 115.95 116.41 3gxr h TRP 111 Ca -0.48 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 59.24 3gxr h TRP 111 Cb 1.31 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.32 3gxr h TRP 111 CO 0.45 0.00 0.21 0.27 -1.28 0.00 0.00 178.44 178.08 3gxr n ASN 112 N -4.27 3.61 -4.93 0.11 0.23 -1.26 -1.35 115.26 107.40 3gxr n ASN 112 Ca -0.01 -3.48 -0.26 0.00 -0.53 0.00 0.00 54.58 50.29 3gxr n ASN 112 Cb 0.16 -0.70 -0.03 0.00 -2.08 0.00 0.00 39.78 37.13 3gxr n ASN 112 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3gxr s SER 113 N -1.76 6.37 0.27 0.53 1.04 -0.65 -4.99 113.70 114.50 3gxr s SER 113 Ca 0.50 0.42 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 3gxr s SER 113 Cb 0.42 -2.02 0.50 0.00 0.10 0.00 0.00 66.02 65.03 3gxr s SER 113 CO 0.07 -0.12 1.82 -0.08 0.98 0.00 0.00 173.24 175.91 3gxr h GLU 114 N 1.59 0.87 -0.73 4.02 4.81 -1.96 -1.85 114.58 121.33 3gxr h GLU 114 Ca -0.49 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 3gxr h GLU 114 Cb 1.20 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 3gxr h GLU 114 CO 0.65 0.58 0.43 1.49 -0.73 0.00 0.00 179.01 181.43 3gxr h GLU 115 N 0.90 0.77 -0.22 1.92 4.81 -1.90 0.64 114.58 121.50 3gxr h GLU 115 Ca 0.46 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 3gxr h GLU 115 Cb 0.46 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3gxr h GLU 115 CO -0.27 0.51 -0.04 1.25 -0.73 0.00 0.00 179.01 179.74 3gxr h HIS 116 N 0.79 0.46 -1.01 0.92 2.76 -1.57 -1.02 115.15 116.48 3gxr h HIS 116 Ca 0.32 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 3gxr h HIS 116 Cb 0.17 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 28.95 3gxr h HIS 116 CO -0.06 0.64 0.66 0.82 -1.30 0.00 0.00 177.93 178.69 3gxr h ILE 117 N 0.15 1.19 0.17 6.26 2.04 -0.75 -0.97 117.51 125.59 3gxr h ILE 117 Ca 0.06 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3gxr h ILE 117 Cb 0.48 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3gxr h ILE 117 CO 0.02 0.23 -0.08 -0.78 0.00 0.00 0.00 178.15 177.54 3gxr h ASP 118 N 1.29 -0.19 -0.22 1.72 3.58 -0.84 -1.07 116.42 120.69 3gxr h ASP 118 Ca 0.40 -0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.84 3gxr h ASP 118 Cb -0.02 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 3gxr h ASP 118 CO -0.12 -0.06 -0.10 -0.61 -2.88 0.00 0.00 179.24 175.47 3gxr h GLN 119 N -0.30 -0.07 -0.54 0.28 4.15 -0.43 -1.41 115.11 116.79 3gxr h GLN 119 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 3gxr h GLN 119 Cb 0.24 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3gxr h GLN 119 CO 0.04 -0.04 0.12 0.00 -1.93 0.00 0.00 178.83 177.02 3gxr h ALA 120 N 1.12 1.20 -0.32 3.38 0.00 -1.12 -2.28 119.26 121.23 3gxr h ALA 120 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3gxr h ALA 120 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gxr h ALA 120 CO -0.26 0.55 -0.41 1.15 0.00 0.00 0.00 179.25 180.28 3gxr h THR 121 N 0.81 1.29 -0.87 0.00 2.02 -0.91 -1.13 112.91 114.10 3gxr h THR 121 Ca 0.18 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.79 3gxr h THR 121 Cb 0.31 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 3gxr h THR 121 CO -0.00 0.52 0.57 1.23 0.37 0.00 0.00 175.52 178.21 3gxr h GLY 122 N 0.90 1.24 1.02 2.16 0.00 -0.99 -0.72 103.07 106.68 3gxr h GLY 122 Ca 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 3gxr h GLY 122 CO 0.09 0.42 0.21 -2.22 0.00 0.00 0.00 176.54 175.04 3gxr h ILE 123 N 1.15 1.25 -0.67 2.60 2.04 -0.82 -1.32 117.51 121.74 3gxr h ILE 123 Ca 0.33 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.46 3gxr h ILE 123 Cb -0.09 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 3gxr h ILE 123 CO -0.09 0.32 0.29 0.25 0.00 0.00 0.00 178.15 178.92 3gxr h LEU 124 N 0.92 0.33 -0.73 1.44 5.85 -0.67 -1.28 115.31 121.17 3gxr h LEU 124 Ca 0.21 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 3gxr h LEU 124 Cb 0.28 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3gxr h LEU 124 CO -0.01 0.18 0.20 0.58 -0.34 0.00 0.00 178.44 179.05 3gxr h VAL 125 N 0.49 1.26 -0.53 1.05 2.07 -0.56 -0.16 116.25 119.88 3gxr h VAL 125 Ca 0.34 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3gxr h VAL 125 Cb 0.41 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3gxr h VAL 125 CO -0.31 0.37 0.17 0.78 0.02 0.00 0.00 177.57 178.61 3gxr h ASN 126 N 1.10 0.15 -0.63 0.57 2.35 -0.27 -1.51 115.58 117.34 3gxr h ASN 126 Ca 0.23 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 56.02 3gxr h ASN 126 Cb 0.35 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3gxr h ASN 126 CO -0.00 0.11 0.26 -0.26 -1.65 0.00 0.00 177.43 175.89 3gxr h PHE 127 N 0.34 0.97 -0.29 1.19 0.04 -0.64 0.01 116.94 118.56 3gxr h PHE 127 Ca 0.26 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 61.01 3gxr h PHE 127 Cb 0.31 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3gxr h PHE 127 CO -0.18 0.74 0.06 0.82 -0.60 0.00 0.00 178.31 179.16 3gxr h ILE 128 N 0.95 0.87 -0.66 -0.55 2.04 -0.42 0.28 117.51 120.02 3gxr h ILE 128 Ca 0.22 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 3gxr h ILE 128 Cb 0.18 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3gxr h ILE 128 CO -0.02 0.03 0.22 1.56 0.00 0.00 0.00 178.15 179.94 3gxr h GLN 129 N 0.17 1.00 -0.62 2.37 4.20 -0.95 0.59 115.11 121.86 3gxr h GLN 129 Ca 0.13 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 3gxr h GLN 129 Cb 0.13 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3gxr h GLN 129 CO -0.17 0.85 0.11 -0.07 -0.67 0.00 0.00 178.83 178.87 3gxr h LEU 130 N 0.97 0.98 -0.57 1.46 3.38 -0.62 -2.45 115.31 118.46 3gxr h LEU 130 Ca 0.22 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3gxr h LEU 130 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gxr h LEU 130 CO -0.01 0.99 -0.44 0.40 0.09 0.00 0.00 178.44 179.47 3gxr h ILE 131 N 0.94 1.30 -0.88 1.22 1.08 -0.47 -0.82 117.51 119.88 3gxr h ILE 131 Ca 0.19 -1.63 0.07 0.00 -0.39 0.00 0.00 64.86 63.10 3gxr h ILE 131 Cb 0.42 1.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.69 3gxr h ILE 131 CO 0.01 0.52 0.57 1.56 -0.69 0.00 0.00 178.15 180.12 3gxr h GLN 132 N 0.52 0.93 -0.07 2.37 4.20 -0.78 -0.32 115.11 121.95 3gxr h GLN 132 Ca 0.04 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.50 3gxr h GLN 132 Cb 0.97 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.56 3gxr h GLN 132 CO 0.09 0.61 -0.68 -0.22 -0.67 0.00 0.00 178.83 177.96 3gxr h LYS 133 N 0.96 0.58 -0.01 1.46 3.64 -1.13 -3.16 116.57 118.91 3gxr h LYS 133 Ca 0.38 -0.53 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 3gxr h LYS 133 Cb 0.25 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3gxr h LYS 133 CO -0.15 1.16 -0.64 -0.22 -2.27 0.00 0.00 179.45 177.33 3gxr h LYS 134 N 0.19 0.03 -2.10 1.90 3.64 -0.70 -3.36 116.57 116.18 3gxr h LYS 134 Ca -0.07 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.73 3gxr h LYS 134 Cb 1.34 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.76 3gxr h LYS 134 CO 0.14 0.66 -0.92 1.19 -2.27 0.00 0.00 179.45 178.25 3gxr n PHE 135 N -3.79 1.56 0.30 1.91 3.72 -0.17 -4.95 117.46 116.04 3gxr n PHE 135 Ca -0.01 -3.85 0.17 0.00 -0.05 0.00 0.00 57.45 53.71 3gxr n PHE 135 Cb 0.63 -0.44 0.98 0.00 -0.94 0.00 0.00 39.48 39.71 3gxr n PHE 135 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gxr h PRO 136 N 3.62 0.00 -0.00 -1.08 0.13 -1.70 -2.22 132.00 130.74 3gxr h PRO 136 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gxr h PRO 136 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3gxr h PRO 136 CO 0.63 0.02 -0.29 -1.13 -0.23 0.00 0.00 178.00 176.99 3gxr n SER 137 N -3.56 0.59 -4.82 1.44 3.41 -1.26 -4.91 113.62 104.51 3gxr n SER 137 Ca -0.03 -0.42 -0.32 0.00 -0.26 0.00 0.00 58.87 57.84 3gxr n SER 137 Cb 0.11 0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3gxr n SER 137 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3gxr s TRP 138 N -2.75 3.17 0.80 7.33 0.52 -0.84 -5.05 118.94 122.12 3gxr s TRP 138 Ca 0.19 1.49 -0.11 0.00 0.02 0.00 0.00 56.10 57.69 3gxr s TRP 138 Cb 0.19 -2.92 0.07 0.00 -1.15 0.00 0.00 33.47 29.65 3gxr s TRP 138 CO 0.58 -0.85 1.09 -1.54 0.02 0.00 0.00 176.95 176.25 3gxr s SER 139 N -2.93 4.40 0.42 2.95 1.04 -1.26 -4.79 113.70 113.53 3gxr s SER 139 Ca 0.62 1.53 0.11 0.00 0.48 0.00 0.00 55.95 58.70 3gxr s SER 139 Cb -0.14 -2.28 0.96 0.00 0.10 0.00 0.00 66.02 64.67 3gxr s SER 139 CO 0.36 -2.06 2.00 0.71 0.98 0.00 0.00 173.24 175.23 3gxr h THR 140 N -1.15 0.96 -0.14 2.02 1.35 -1.98 0.52 112.91 114.49 3gxr h THR 140 Ca -0.46 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.20 3gxr h THR 140 Cb 1.25 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3gxr h THR 140 CO 0.56 0.09 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.53 3gxr h GLU 141 N 0.48 0.28 -0.61 4.72 3.07 -1.91 -0.94 114.58 119.66 3gxr h GLU 141 Ca 0.25 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 58.93 3gxr h GLU 141 Cb 0.37 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 3gxr h GLU 141 CO -0.07 0.60 0.13 1.96 -1.40 0.00 0.00 179.01 180.23 3gxr h GLN 142 N -0.04 0.99 -0.82 2.33 4.20 -1.77 -2.09 115.11 117.90 3gxr h GLN 142 Ca 0.03 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 3gxr h GLN 142 Cb 0.50 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 3gxr h GLN 142 CO 0.02 0.91 0.50 1.96 -0.67 0.00 0.00 178.83 181.54 3gxr h GLN 143 N 0.90 1.11 -0.24 1.46 4.20 -0.83 -0.21 115.11 121.51 3gxr h GLN 143 Ca 0.19 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3gxr h GLN 143 Cb 0.38 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3gxr h GLN 143 CO 0.01 0.78 0.15 1.25 -0.67 0.00 0.00 178.83 180.35 3gxr h LEU 144 N 1.13 0.28 -0.29 1.46 5.85 -0.83 -0.26 115.31 122.65 3gxr h LEU 144 Ca 0.30 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3gxr h LEU 144 Cb -0.05 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3gxr h LEU 144 CO -0.06 0.22 0.19 0.50 -0.34 0.00 0.00 178.44 178.96 3gxr h LYS 145 N 0.31 0.38 -0.43 1.25 3.64 -1.07 -0.11 116.57 120.54 3gxr h LYS 145 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3gxr h LYS 145 Cb -0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3gxr h LYS 145 CO -0.02 0.25 0.25 0.78 -2.27 0.00 0.00 179.45 178.45 3gxr h GLY 146 N 0.39 0.62 1.09 5.01 0.00 -0.88 -0.77 103.07 108.53 3gxr h GLY 146 Ca 0.11 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 3gxr h GLY 146 CO -0.02 0.24 -0.38 0.00 0.00 0.00 0.00 176.54 176.38 3gxr h ALA 147 N 1.68 0.51 -0.30 3.60 0.00 -0.36 0.14 119.26 124.53 3gxr h ALA 147 Ca 0.16 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3gxr h ALA 147 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gxr h ALA 147 CO -0.03 0.61 0.09 0.82 0.00 0.00 0.00 179.25 180.74 3gxr h ILE 148 N 0.66 0.90 -0.69 0.00 2.04 -0.68 0.34 117.51 120.09 3gxr h ILE 148 Ca 0.05 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3gxr h ILE 148 Cb 0.97 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 3gxr h ILE 148 CO 0.09 0.04 0.35 0.00 0.00 0.00 0.00 178.15 178.63 3gxr h ALA 149 N 1.20 0.89 -0.14 1.87 0.00 -0.86 -2.71 119.26 119.51 3gxr h ALA 149 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gxr h ALA 149 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gxr h ALA 149 CO -0.15 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.58 3gxr h ALA 150 N 1.17 1.83 -0.64 0.00 0.00 -0.04 -1.13 119.26 120.44 3gxr h ALA 150 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gxr h ALA 150 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3gxr h ALA 150 CO -0.03 0.14 0.39 -0.92 0.00 0.00 0.00 179.25 178.83 3gxr h TYR 151 N 0.19 0.83 0.11 0.00 3.20 -0.61 0.51 116.97 121.20 3gxr h TYR 151 Ca 0.05 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.73 3gxr h TYR 151 Cb 0.06 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.06 3gxr h TYR 151 CO 0.00 0.55 -0.93 -0.97 -1.64 0.00 0.00 178.16 175.17 3gxr h ASN 152 N 0.87 0.37 -0.00 -2.11 -0.73 -1.26 -3.42 115.58 109.30 3gxr h ASN 152 Ca 0.23 -0.91 0.00 0.00 1.87 0.00 0.00 56.30 57.49 3gxr h ASN 152 Cb -0.04 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.43 3gxr h ASN 152 CO -0.04 1.42 -0.01 1.07 -0.37 0.00 0.00 177.43 179.50 3gxr n THR 153 N -4.13 0.00 0.00 -3.57 5.66 -0.53 -4.89 114.28 106.81 3gxr n THR 153 Ca -0.18 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 3gxr n THR 153 Cb 0.80 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.63 3gxr n THR 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gxr n GLY 154 N 0.24 -0.13 0.28 1.09 0.00 0.18 -4.33 105.19 102.52 3gxr n GLY 154 Ca 0.01 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.68 3gxr n GLY 154 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gxr h ASP 155 N 0.00 0.00 -0.09 1.61 2.03 -1.93 -2.15 116.42 115.89 3gxr h ASP 155 Ca 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.31 3gxr h ASP 155 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3gxr h ASP 155 CO 0.00 0.00 0.06 1.23 -1.03 0.00 0.00 179.24 179.50 3gxr h GLY 156 N 0.00 0.08 -2.09 7.15 0.00 -1.95 -2.16 103.07 104.10 3gxr h GLY 156 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3gxr h GLY 156 CO -0.00 0.03 0.00 0.54 0.00 0.00 0.00 176.54 177.11 3gxr n ARG 157 N -4.52 2.34 -3.45 4.80 1.74 -0.81 -4.66 116.66 112.10 3gxr n ARG 157 Ca -0.01 -2.07 -0.43 0.00 -0.77 0.00 0.00 57.85 54.57 3gxr n ARG 157 Cb 0.12 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 3gxr n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gxr s VAL 158 N -1.28 5.09 -0.14 1.55 1.01 -0.81 -4.48 120.40 121.33 3gxr s VAL 158 Ca 0.39 -0.98 0.15 0.00 0.00 0.00 0.00 61.98 61.54 3gxr s VAL 158 Cb 0.20 -3.98 -0.22 0.00 0.00 0.00 0.00 36.38 32.39 3gxr s VAL 158 CO 0.27 -0.47 0.10 -0.62 0.00 0.00 0.00 175.10 174.38 3gxr n GLU 159 N 5.15 1.18 -3.72 2.72 1.02 -1.26 -5.00 120.64 120.73 3gxr n GLU 159 Ca -0.12 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 56.91 3gxr n GLU 159 Cb 0.45 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 3gxr n GLU 159 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gxr s SER 160 N -4.91 -0.35 0.10 1.62 1.04 -1.26 -5.04 113.70 104.90 3gxr s SER 160 Ca -0.08 -0.41 -0.13 0.00 0.48 0.00 0.00 55.95 55.81 3gxr s SER 160 Cb 0.06 0.67 -0.13 0.00 0.10 0.00 0.00 66.02 66.73 3gxr s SER 160 CO 0.69 -1.20 1.35 0.22 0.98 0.00 0.00 173.24 175.28 3gxr h TYR 161 N 2.00 1.01 -0.01 5.02 3.20 -1.97 -1.65 116.97 124.58 3gxr h TYR 161 Ca -0.24 -0.40 -0.15 0.00 3.14 0.00 0.00 58.73 61.08 3gxr h TYR 161 Cb 1.27 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3gxr h TYR 161 CO 0.36 1.21 -0.69 0.93 -1.64 0.00 0.00 178.16 178.34 3gxr h GLU 162 N 0.53 0.08 -0.55 1.82 5.08 -2.04 -2.11 114.58 117.39 3gxr h GLU 162 Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3gxr h GLU 162 Cb 1.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3gxr h GLU 162 CO 0.13 0.74 0.01 -1.13 -1.00 0.00 0.00 179.01 177.76 3gxr n SER 163 N -3.75 5.51 -0.33 1.42 3.41 -1.22 -4.75 113.62 113.91 3gxr n SER 163 Ca -0.02 -2.96 0.17 0.00 -0.26 0.00 0.00 58.87 55.80 3gxr n SER 163 Cb 0.68 -0.67 0.40 0.00 -0.26 0.00 0.00 64.21 64.35 3gxr n SER 163 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3gxr h VAL 164 N 3.69 0.64 -0.59 -3.33 3.04 -0.57 -1.13 116.25 118.00 3gxr h VAL 164 Ca 0.01 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3gxr h VAL 164 Cb 1.94 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 3gxr h VAL 164 CO 0.47 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.62 3gxr n ASP 165 N -4.71 3.71 0.19 3.17 8.00 -1.26 -4.62 116.55 121.03 3gxr n ASP 165 Ca 0.24 -1.99 0.06 0.00 0.71 0.00 0.00 54.79 53.81 3gxr n ASP 165 Cb 0.68 -0.39 0.54 0.00 -0.02 0.00 0.00 41.12 41.93 3gxr n ASP 165 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3gxr h SER 166 N 4.19 0.12 -0.47 -2.24 4.64 -1.47 -1.15 113.55 117.17 3gxr h SER 166 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gxr h SER 166 Cb 0.97 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3gxr h SER 166 CO 0.00 0.14 0.00 0.54 -0.87 0.00 0.00 176.83 176.64 3gxr n ARG 167 N -4.46 3.84 -3.50 4.77 5.12 -1.26 -4.75 116.66 116.43 3gxr n ARG 167 Ca -0.01 -2.92 -0.22 0.00 -1.93 0.00 0.00 57.85 52.77 3gxr n ARG 167 Cb 0.13 -1.97 -0.01 0.00 -1.16 0.00 0.00 32.46 29.45 3gxr n ARG 167 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3gxr s THR 168 N -2.46 4.79 0.19 0.55 -4.23 -0.43 -4.78 115.64 109.26 3gxr s THR 168 Ca 0.47 -0.71 -0.33 0.00 -1.18 0.00 0.00 61.69 59.95 3gxr s THR 168 Cb 0.35 -3.72 -0.13 0.00 1.34 0.00 0.00 72.50 70.34 3gxr s THR 168 CO 0.15 -0.39 1.63 0.41 -0.54 0.00 0.00 174.62 175.89 3gxr n THR 169 N -1.70 0.09 -0.71 3.99 -1.04 -1.26 -1.17 114.28 112.47 3gxr n THR 169 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3gxr n THR 169 Cb 0.57 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 3gxr n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gxr n GLY 170 N 3.53 0.32 2.41 3.41 0.00 -1.26 -3.68 105.19 109.92 3gxr n GLY 170 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3gxr n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gxr n LYS 171 N -1.79 -1.90 -0.13 1.61 5.02 -0.32 -4.63 118.16 116.03 3gxr n LYS 171 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3gxr n LYS 171 Cb 0.04 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 29.63 3gxr n LYS 171 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gxr n ASP 172 N -1.80 0.00 0.25 4.39 5.75 -1.24 -4.67 116.55 119.23 3gxr n ASP 172 Ca -0.19 -1.15 -0.15 0.00 -0.01 0.00 0.00 54.79 53.28 3gxr n ASP 172 Cb 0.64 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.62 3gxr n ASP 172 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3gxr h TYR 173 N 0.00 -0.55 -0.34 2.11 3.20 -1.83 0.19 116.97 119.75 3gxr h TYR 173 Ca 0.00 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 3gxr h TYR 173 Cb 1.06 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 3gxr h TYR 173 CO -0.01 -0.30 -0.38 0.66 -1.64 0.00 0.00 178.16 176.49 3gxr h SER 174 N -0.69 0.84 -0.26 -2.11 4.64 -1.87 -0.79 113.55 113.32 3gxr h SER 174 Ca -0.06 -0.38 0.06 0.00 -0.47 0.00 0.00 61.79 60.94 3gxr h SER 174 Cb 0.50 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 3gxr h SER 174 CO 0.10 1.12 -0.12 0.78 -0.87 0.00 0.00 176.83 177.85 3gxr h ASN 175 N 0.65 -0.40 0.56 4.97 4.21 -1.78 0.17 115.58 123.96 3gxr h ASN 175 Ca 0.06 0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.64 3gxr h ASN 175 Cb 0.93 0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 38.36 3gxr h ASN 175 CO 0.09 -0.15 -0.31 -0.78 -1.29 0.00 0.00 177.43 174.99 3gxr h ASP 176 N -0.08 -0.76 -0.63 5.81 3.58 -0.50 -2.22 116.42 121.62 3gxr h ASP 176 Ca 0.13 0.04 0.06 0.00 0.42 0.00 0.00 57.03 57.68 3gxr h ASP 176 Cb 0.28 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 3gxr h ASP 176 CO -0.31 -0.50 0.34 0.58 -2.88 0.00 0.00 179.24 176.47 3gxr h VAL 177 N -0.81 0.96 -0.71 2.25 2.07 -1.02 0.61 116.25 119.60 3gxr h VAL 177 Ca -0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3gxr h VAL 177 Cb 0.64 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3gxr h VAL 177 CO 0.09 0.12 0.45 0.58 0.02 0.00 0.00 177.57 178.83 3gxr h VAL 178 N 0.63 1.19 -0.31 2.57 2.07 -0.92 0.84 116.25 122.32 3gxr h VAL 178 Ca 0.28 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3gxr h VAL 178 Cb 0.18 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3gxr h VAL 178 CO -0.18 0.19 0.07 0.00 0.02 0.00 0.00 177.57 177.68 3gxr h ALA 179 N 1.24 0.40 -0.97 1.67 0.00 -0.71 0.05 119.26 120.94 3gxr h ALA 179 Ca 0.26 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gxr h ALA 179 Cb -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3gxr h ALA 179 CO -0.05 0.06 0.64 0.00 0.00 0.00 0.00 179.25 179.90 3gxr h ARG 180 N 0.33 1.27 -0.56 0.00 3.08 -0.53 -1.70 114.38 116.27 3gxr h ARG 180 Ca 0.10 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gxr h ARG 180 Cb 0.29 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3gxr h ARG 180 CO 0.00 0.84 0.34 0.00 -1.07 0.00 0.00 179.97 180.08 3gxr h ALA 181 N 1.40 0.71 -0.91 0.04 0.00 -0.31 0.08 119.26 120.27 3gxr h ALA 181 Ca 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3gxr h ALA 181 Cb -0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3gxr h ALA 181 CO -0.08 0.19 0.51 1.96 0.00 0.00 0.00 179.25 181.83 3gxr h GLN 182 N 0.75 1.26 0.04 0.00 4.20 -0.59 0.23 115.11 121.01 3gxr h GLN 182 Ca 0.20 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3gxr h GLN 182 Cb -0.02 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.51 3gxr h GLN 182 CO -0.04 0.91 -0.02 2.35 -0.67 0.00 0.00 178.83 181.37 3gxr h TRP 183 N 1.27 -0.05 -0.84 2.96 7.01 -0.86 -3.11 115.95 122.33 3gxr h TRP 183 Ca 0.32 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.45 3gxr h TRP 183 Cb 0.01 0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.00 3gxr h TRP 183 CO 0.01 0.09 0.45 1.88 -2.79 0.00 0.00 178.44 178.09 3gxr h TYR 184 N -0.19 0.80 -0.88 2.65 0.05 -0.51 -0.90 116.97 117.99 3gxr h TYR 184 Ca -0.01 0.03 0.21 0.00 0.05 0.00 0.00 58.73 59.01 3gxr h TYR 184 Cb 0.17 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.62 3gxr h TYR 184 CO -0.03 0.25 0.59 -0.22 -1.05 0.00 0.00 178.16 177.70 3gxr h LYS 185 N 0.69 0.32 -0.02 4.88 1.63 -0.52 -0.50 116.57 123.06 3gxr h LYS 185 Ca 0.44 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 3gxr h LYS 185 Cb 0.54 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 3gxr h LYS 185 CO -0.32 0.21 -0.18 1.63 -3.45 0.00 0.00 179.45 177.34 3gxr n LYS 186 N -4.47 1.40 -2.56 1.90 5.02 -0.40 -4.41 118.16 114.63 3gxr n LYS 186 Ca 0.18 -0.97 -0.14 0.00 -2.02 0.00 0.00 58.31 55.37 3gxr n LYS 186 Cb 0.72 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.28 3gxr n LYS 186 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gxr n ASN 187 N 0.04 2.78 0.00 4.39 3.02 -0.30 -4.96 115.26 120.24 3gxr n ASN 187 Ca 0.14 -2.96 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 3gxr n ASN 187 Cb 0.41 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3gxr n ASN 187 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gxr n GLY 188 N -0.38 0.32 0.60 7.41 0.00 -1.16 -4.90 105.19 107.09 3gxr n GLY 188 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 3gxr n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01