#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxr n GLY 4 N 0.00 0.91 0.28 7.63 0.00 -1.25 -3.97 105.19 108.80 3gxr n GLY 4 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3gxr n GLY 4 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxr n TYR 5 N 5.98 0.00 0.00 1.61 4.01 -1.26 -4.99 117.16 122.51 3gxr n TYR 5 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3gxr n TYR 5 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3gxr n TYR 5 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gxr n GLY 6 N -2.00 1.00 3.42 2.72 0.00 -1.25 -4.26 105.19 104.81 3gxr n GLY 6 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3gxr n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gxr s ASP 7 N 1.00 6.20 0.58 1.61 -1.08 -1.26 -4.76 116.67 118.95 3gxr s ASP 7 Ca 0.00 -1.09 0.28 0.00 -0.52 0.00 0.00 52.55 51.22 3gxr s ASP 7 Cb 0.00 -2.25 1.74 0.00 -1.46 0.00 0.00 42.92 40.94 3gxr s ASP 7 CO 0.00 -0.82 2.22 -0.29 0.52 0.00 0.00 175.17 176.80 3gxr h ILE 8 N 5.83 0.57 0.00 4.11 6.09 -1.96 -0.97 117.51 131.19 3gxr h ILE 8 Ca -0.28 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 3gxr h ILE 8 Cb 1.10 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.44 3gxr h ILE 8 CO 0.94 0.02 0.00 0.35 -3.07 0.00 0.00 178.15 176.39 3gxr n THR 9 N -3.86 0.76 -0.15 2.19 -2.24 -1.26 -2.97 114.28 106.75 3gxr n THR 9 Ca -0.03 0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 3gxr n THR 9 Cb 0.10 -0.99 0.13 0.00 -2.10 0.00 0.00 70.33 67.47 3gxr n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gxr n GLN 10 N -2.12 2.90 -2.93 -0.78 1.13 -0.37 -4.94 117.38 110.26 3gxr n GLN 10 Ca 0.03 -1.96 -0.40 0.00 -1.94 0.00 0.00 57.00 52.73 3gxr n GLN 10 Cb 0.27 -1.22 -0.05 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.01 4.69 0.22 5.09 1.01 -1.16 -4.96 120.40 124.29 3gxr s VAL 11 Ca 0.19 1.72 -0.22 0.00 0.00 0.00 0.00 61.98 63.67 3gxr s VAL 11 Cb 0.10 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 3gxr s VAL 11 CO 0.13 0.35 0.78 -1.61 0.00 0.00 0.00 175.10 174.75 3gxr s GLU 12 N -0.02 4.41 -0.10 2.72 0.41 -1.26 -5.04 118.70 119.81 3gxr s GLU 12 Ca 0.40 1.04 -0.09 0.00 -0.41 0.00 0.00 54.97 55.91 3gxr s GLU 12 Cb -0.21 -2.98 0.03 0.00 -1.78 0.00 0.00 34.13 29.19 3gxr s GLU 12 CO 0.24 0.43 0.27 -0.08 -0.49 0.00 0.00 175.26 175.63 3gxr s THR 13 N -1.43 -0.00 -2.25 3.63 -1.32 -1.26 -4.98 115.64 108.03 3gxr s THR 13 Ca 0.42 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.13 3gxr s THR 13 Cb -0.19 -0.39 0.52 0.00 -1.51 0.00 0.00 72.50 70.94 3gxr s THR 13 CO 0.23 0.00 1.47 -1.54 -2.21 0.00 0.00 174.62 172.57 3gxr n SER 14 N 2.95 3.57 0.00 8.08 3.41 -1.26 -4.91 113.62 125.46 3gxr n SER 14 Ca -0.13 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3gxr n SER 14 Cb 0.58 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.56 0.50 3.81 5.00 0.00 -1.24 -3.67 105.19 111.15 3gxr n GLY 15 Ca 0.21 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.74 3.12 0.84 4.61 0.00 -0.85 -3.52 121.76 124.22 3gxr s ALA 16 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 3gxr s ALA 16 Cb 0.00 -3.12 0.10 0.00 0.00 0.00 0.00 23.12 20.09 3gxr s ALA 16 CO 0.00 0.16 1.15 -1.54 0.00 0.00 0.00 175.76 175.54 3gxr s SER 17 N -2.01 4.17 0.30 0.00 1.04 -1.26 -0.47 113.70 115.46 3gxr s SER 17 Ca 0.58 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.89 3gxr s SER 17 Cb -0.12 -1.45 0.45 0.00 0.10 0.00 0.00 66.02 65.01 3gxr s SER 17 CO 0.17 -2.13 1.89 0.28 0.98 0.00 0.00 173.24 174.43 3gxr h SER 18 N -1.21 0.80 0.14 7.02 0.02 -1.92 -1.29 113.55 117.11 3gxr h SER 18 Ca -0.48 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 3gxr h SER 18 Cb 1.32 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3gxr h SER 18 CO 0.64 0.70 -0.13 0.50 -1.14 0.00 0.00 176.83 177.40 3gxr h LYS 19 N 0.88 -0.29 -0.33 3.45 3.64 -1.93 -1.76 116.57 120.22 3gxr h LYS 19 Ca 0.21 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 3gxr h LYS 19 Cb 0.13 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3gxr h LYS 19 CO -0.02 -0.19 -0.25 0.00 -2.27 0.00 0.00 179.45 176.71 3gxr h THR 20 N -0.30 1.29 -0.20 1.00 1.03 -1.80 -2.97 112.91 110.97 3gxr h THR 20 Ca 0.00 -1.40 0.06 0.00 -0.01 0.00 0.00 66.41 65.06 3gxr h THR 20 Cb 0.28 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 3gxr h THR 20 CO -0.03 0.46 0.18 0.77 -0.01 0.00 0.00 175.52 176.89 3gxr h SER 21 N 0.53 0.00 0.00 0.00 4.64 -1.12 -0.37 113.55 117.23 3gxr h SER 21 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3gxr h SER 21 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3gxr h SER 21 CO 0.07 0.00 0.13 0.03 -0.87 0.00 0.00 176.83 176.19 3gxr h ARG 22 N 0.00 0.00 -0.85 4.77 3.08 -1.15 -2.02 114.38 118.22 3gxr h ARG 22 Ca 0.09 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3gxr h ARG 22 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3gxr h ARG 22 CO -0.00 0.00 0.55 1.96 -1.07 0.00 0.00 179.97 181.41 3gxr h GLN 23 N 0.00 1.07 -0.42 0.04 4.20 -1.20 -1.60 115.11 117.21 3gxr h GLN 23 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3gxr h GLN 23 Cb 0.26 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3gxr h GLN 23 CO 0.00 0.71 0.00 -0.25 -0.67 0.00 0.00 178.83 178.62 3gxr n ASP 24 N -4.53 2.52 -2.43 1.46 9.92 -0.79 -4.93 116.55 117.78 3gxr n ASP 24 Ca 0.10 -1.95 -0.21 0.00 -0.53 0.00 0.00 54.79 52.20 3gxr n ASP 24 Cb 0.06 -0.28 -0.01 0.00 -0.64 0.00 0.00 41.12 40.26 3gxr n ASP 24 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3gxr n LYS 25 N 0.87 -1.98 -2.57 -1.24 4.76 -0.60 -4.98 118.16 112.42 3gxr n LYS 25 Ca 0.17 1.00 -0.38 0.00 -2.87 0.00 0.00 58.31 56.22 3gxr n LYS 25 Cb 0.42 -5.67 -0.05 0.00 -1.84 0.00 0.00 35.03 27.89 3gxr n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gxr s LEU 26 N -6.04 4.35 -0.13 -0.35 1.02 -1.04 -4.95 118.68 111.54 3gxr s LEU 26 Ca 0.03 2.08 0.16 0.00 0.02 0.00 0.00 54.13 56.42 3gxr s LEU 26 Cb -0.01 -3.92 0.71 0.00 0.02 0.00 0.00 46.19 42.98 3gxr s LEU 26 CO 0.04 -0.26 1.60 -0.62 0.02 0.00 0.00 176.35 177.13 3gxr n GLU 27 N 0.58 3.84 -4.15 1.70 -0.58 -1.26 -4.37 120.64 116.40 3gxr n GLU 27 Ca 0.02 -2.76 -0.10 0.00 -0.42 0.00 0.00 57.16 53.90 3gxr n GLU 27 Cb 0.48 -1.95 -0.10 0.00 -0.57 0.00 0.00 31.44 29.30 3gxr n GLU 27 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 3gxr s TYR 28 N -2.02 0.89 0.00 -0.32 -0.85 -1.26 -5.17 117.35 108.61 3gxr s TYR 28 Ca 0.49 -1.24 0.00 0.00 -0.52 0.00 0.00 57.07 55.80 3gxr s TYR 28 Cb 0.33 -0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.19 3gxr s TYR 28 CO 0.21 -0.54 0.00 -0.40 -1.52 0.00 0.00 175.55 173.31 3gxr n ASP 29 N -0.12 1.33 0.00 -0.18 5.68 -1.26 -4.68 116.55 117.32 3gxr n ASP 29 Ca -0.05 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 3gxr n ASP 29 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 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 3.31 -0.24 0.32 6.12 0.00 0.38 -3.03 105.19 112.05 3gxr n GLY 30 Ca 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 1.23 -0.50 1.61 2.07 -1.85 -1.16 116.25 117.65 3gxr h VAL 31 Ca 0.00 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.00 3gxr h VAL 31 Cb 0.00 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 3gxr h VAL 31 CO 0.00 0.26 0.19 0.03 0.02 0.00 0.00 177.57 178.07 3gxr h ARG 32 N 1.09 0.36 -0.27 1.57 3.08 -1.95 0.24 114.38 118.50 3gxr h ARG 32 Ca 0.28 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3gxr h ARG 32 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3gxr h ARG 32 CO -0.04 0.24 0.16 0.00 -1.07 0.00 0.00 179.97 179.26 3gxr h ALA 33 N 1.33 0.34 -0.49 0.04 0.00 -1.32 -1.55 119.26 117.62 3gxr h ALA 33 Ca 0.24 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3gxr h ALA 33 Cb 0.25 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3gxr h ALA 33 CO -0.24 -0.16 0.14 0.77 0.00 0.00 0.00 179.25 179.77 3gxr h SER 34 N 0.34 0.10 -0.79 0.00 0.02 -0.93 -0.60 113.55 111.67 3gxr h SER 34 Ca 0.10 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3gxr h SER 34 Cb 0.02 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 3gxr h SER 34 CO -0.02 0.08 0.36 0.45 -1.14 0.00 0.00 176.83 176.57 3gxr h HIS 35 N 0.29 1.16 -0.46 3.45 -0.00 -0.47 -0.46 115.15 118.68 3gxr h HIS 35 Ca 0.24 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 3gxr h HIS 35 Cb 0.29 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3gxr h HIS 35 CO -0.19 0.86 0.21 1.15 -0.00 0.00 0.00 177.93 179.96 3gxr h THR 36 N 1.13 1.19 -0.56 2.45 2.02 -0.94 0.13 112.91 118.33 3gxr h THR 36 Ca 0.27 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3gxr h THR 36 Cb 0.15 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3gxr h THR 36 CO -0.03 0.21 0.06 0.24 0.37 0.00 0.00 175.52 176.37 3gxr h MET 37 N 0.59 0.95 -0.07 6.66 2.86 -0.68 -0.17 114.93 125.08 3gxr h MET 37 Ca 0.16 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3gxr h MET 37 Cb 0.14 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3gxr h MET 37 CO -0.02 0.93 -0.02 0.00 1.06 0.00 0.00 176.91 178.87 3gxr h ALA 38 N 0.98 0.04 -0.77 6.32 0.00 -0.93 -3.00 119.26 121.90 3gxr h ALA 38 Ca 0.17 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.24 3gxr h ALA 38 Cb 0.47 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 3gxr h ALA 38 CO 0.02 -0.49 0.34 0.37 0.00 0.00 0.00 179.25 179.49 3gxr h GLN 39 N -0.00 0.50 -0.85 0.00 4.15 -0.44 -0.83 115.11 117.63 3gxr h GLN 39 Ca 0.03 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.54 3gxr h GLN 39 Cb 0.05 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 3gxr h GLN 39 CO -0.07 0.33 0.55 1.15 -1.93 0.00 0.00 178.83 178.86 3gxr h THR 40 N 0.51 0.91 -0.01 2.39 2.02 -0.91 -2.67 112.91 115.15 3gxr h THR 40 Ca 0.42 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3gxr h THR 40 Cb 0.60 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3gxr h THR 40 CO -0.37 0.14 -0.58 0.47 0.37 0.00 0.00 175.52 175.55 3gxr n ASP 41 N -4.53 1.13 -0.18 4.18 8.00 -0.42 -4.42 116.55 120.31 3gxr n ASP 41 Ca 0.15 -0.91 0.10 0.00 0.71 0.00 0.00 54.79 54.84 3gxr n ASP 41 Cb 0.38 0.48 0.41 0.00 -0.02 0.00 0.00 41.12 42.37 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 3.37 1.84 -0.07 2.24 0.00 -0.92 -1.59 119.26 124.14 3gxr h ALA 42 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gxr h ALA 42 Cb 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gxr h ALA 42 CO 0.00 -0.00 -0.00 0.78 0.00 0.00 0.00 179.25 180.03 3gxr h GLY 43 N 0.63 0.13 1.86 0.00 0.00 -1.78 -2.74 103.07 101.17 3gxr h GLY 43 Ca 0.34 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 3gxr h GLY 43 CO -0.12 0.09 -0.29 3.21 0.00 0.00 0.00 176.54 179.43 3gxr h ARG 44 N -0.17 0.17 0.00 4.80 3.08 -1.81 -2.81 114.38 117.64 3gxr h ARG 44 Ca 0.02 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3gxr h ARG 44 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3gxr h ARG 44 CO 0.00 0.45 -0.32 1.98 -1.07 0.00 0.00 179.97 181.01 3gxr h MET 45 N 0.15 0.00 -0.79 0.04 4.05 -1.19 -2.90 114.93 114.28 3gxr h MET 45 Ca 0.02 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.58 3gxr h MET 45 Cb 0.59 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.34 3gxr h MET 45 CO 0.04 0.32 0.52 0.93 0.23 0.00 0.00 176.91 178.95 3gxr h GLU 46 N 0.00 0.52 -0.39 0.39 5.08 -1.21 -1.09 114.58 117.89 3gxr h GLU 46 Ca -0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3gxr h GLU 46 Cb 0.58 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3gxr h GLU 46 CO 0.04 0.35 0.27 -0.22 -1.00 0.00 0.00 179.01 178.45 3gxr h LYS 47 N 0.54 0.08 -0.13 2.33 3.64 -1.69 -2.44 116.57 118.89 3gxr h LYS 47 Ca 0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3gxr h LYS 47 Cb 0.75 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3gxr h LYS 47 CO -0.15 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.75 3gxr n TYR 48 N -4.44 0.15 -0.24 1.91 4.01 -0.43 -4.69 117.16 113.43 3gxr n TYR 48 Ca 0.06 -0.10 -0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3gxr n TYR 48 Cb 0.40 -0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.55 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 3.66 0.63 -0.12 -0.72 3.64 -1.27 0.03 116.57 122.42 3gxr h LYS 49 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3gxr h LYS 49 Cb 0.81 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3gxr h LYS 49 CO 0.00 0.42 0.05 0.77 -2.27 0.00 0.00 179.45 178.42 3gxr h SER 50 N 0.65 0.17 -0.13 4.20 0.02 -1.83 -1.29 113.55 115.33 3gxr h SER 50 Ca 0.32 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3gxr h SER 50 Cb 0.26 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3gxr h SER 50 CO -0.22 0.26 -0.28 -0.26 -1.14 0.00 0.00 176.83 175.20 3gxr h PHE 51 N 0.06 -0.76 -0.75 3.45 0.04 -1.74 -1.79 116.94 115.45 3gxr h PHE 51 Ca 0.04 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.93 3gxr h PHE 51 Cb 0.14 0.35 -0.07 0.00 2.20 0.00 0.00 35.95 38.58 3gxr h PHE 51 CO -0.02 -0.36 0.41 0.82 -0.60 0.00 0.00 178.31 178.55 3gxr h ILE 52 N -0.35 0.90 -0.39 -0.55 2.04 -0.79 -0.91 117.51 117.46 3gxr h ILE 52 Ca 0.10 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 3gxr h ILE 52 Cb 0.50 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3gxr h ILE 52 CO -0.33 0.13 -0.17 0.78 0.00 0.00 0.00 178.15 178.56 3gxr h ASN 53 N 0.70 0.83 -0.07 1.72 2.35 -0.98 0.20 115.58 120.33 3gxr h ASN 53 Ca 0.36 -0.40 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3gxr h ASN 53 Cb 0.33 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3gxr h ASN 53 CO -0.24 1.04 -0.11 0.78 -1.65 0.00 0.00 177.43 177.25 3gxr h ASN 54 N 0.61 -0.33 -0.49 5.81 -0.26 -0.91 -0.49 115.58 119.52 3gxr h ASN 54 Ca 0.09 0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.79 3gxr h ASN 54 Cb 0.72 0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.12 3gxr h ASN 54 CO 0.05 -0.15 -0.07 0.58 -1.06 0.00 0.00 177.43 176.78 3gxr h VAL 55 N -0.15 1.27 -0.35 2.81 2.07 -1.13 -1.50 116.25 119.26 3gxr h VAL 55 Ca 0.06 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.47 3gxr h VAL 55 Cb 0.24 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 3gxr h VAL 55 CO -0.16 0.41 -0.19 0.00 0.02 0.00 0.00 177.57 177.66 3gxr h ALA 56 N 0.91 0.07 -0.59 1.67 0.00 -0.41 -1.30 119.26 119.61 3gxr h ALA 56 Ca 0.13 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3gxr h ALA 56 Cb 0.61 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3gxr h ALA 56 CO 0.04 -0.57 0.13 1.57 0.00 0.00 0.00 179.25 180.43 3gxr h LYS 57 N -0.13 0.91 -0.77 0.00 2.10 -0.83 -0.66 116.57 117.19 3gxr h LYS 57 Ca 0.18 -0.20 -0.04 0.00 -2.00 0.00 0.00 60.65 58.59 3gxr h LYS 57 Cb 0.40 -0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 31.57 3gxr h LYS 57 CO -0.43 0.82 0.33 -0.22 -2.00 0.00 0.00 179.45 177.95 3gxr h LYS 58 N 0.87 1.14 -0.02 0.07 3.64 -0.21 -3.09 116.57 118.97 3gxr h LYS 58 Ca 0.19 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gxr h LYS 58 Cb 0.33 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3gxr h LYS 58 CO 0.00 0.91 -0.16 0.72 -2.27 0.00 0.00 179.45 178.65 3gxr n HIS 59 N -4.29 0.00 -3.75 1.91 8.25 -0.62 -4.97 115.22 111.75 3gxr n HIS 59 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 3gxr n HIS 59 Cb 0.17 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.29 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 0.62 -4.38 -4.85 1.59 0.31 -0.31 -5.02 118.33 106.28 3gxr n VAL 60 Ca 0.13 -0.56 -0.28 0.00 -0.01 0.00 0.00 64.34 63.62 3gxr n VAL 60 Cb 0.51 -3.64 -0.15 0.00 -0.91 0.00 0.00 33.84 29.65 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 -3.72 1.88 0.10 2.52 1.01 -0.87 -3.79 120.40 117.54 3gxr s VAL 61 Ca 0.05 -1.22 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 3gxr s VAL 61 Cb -0.01 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 3gxr s VAL 61 CO 0.83 0.34 1.57 -0.62 0.00 0.00 0.00 175.10 177.22 3gxr s ASP 62 N -1.06 6.65 0.54 3.32 -1.08 -1.26 -4.54 116.67 119.25 3gxr s ASP 62 Ca 0.09 2.48 0.24 0.00 -0.52 0.00 0.00 52.55 54.85 3gxr s ASP 62 Cb -0.09 -2.58 1.44 0.00 -1.46 0.00 0.00 42.92 40.23 3gxr s ASP 62 CO 0.01 -0.82 2.06 1.55 0.52 0.00 0.00 175.17 178.49 3gxr h PRO 63 N 7.54 0.00 -0.18 4.34 0.13 -1.87 -0.85 132.00 141.12 3gxr h PRO 63 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 3gxr h PRO 63 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3gxr h PRO 63 CO 0.91 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.65 3gxr h ALA 64 N 1.80 1.62 -0.10 -0.56 0.00 -1.89 -0.12 119.26 120.01 3gxr h ALA 64 Ca 0.15 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 3gxr h ALA 64 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gxr h ALA 64 CO -0.00 0.28 -0.79 0.28 0.00 0.00 0.00 179.25 179.03 3gxr h VAL 65 N 0.25 1.33 0.10 0.00 2.07 -1.45 -0.79 116.25 117.76 3gxr h VAL 65 Ca 0.06 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 3gxr h VAL 65 Cb 0.23 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3gxr h VAL 65 CO 0.01 0.65 -0.05 0.40 0.02 0.00 0.00 177.57 178.60 3gxr h ILE 66 N 0.39 1.03 -0.71 4.57 2.04 -1.35 -1.26 117.51 122.23 3gxr h ILE 66 Ca -0.05 -0.46 0.14 0.00 1.00 0.00 0.00 64.86 65.49 3gxr h ILE 66 Cb 1.39 1.32 -0.10 0.00 -0.74 0.00 0.00 36.82 38.70 3gxr h ILE 66 CO 0.15 0.11 0.22 0.00 0.00 0.00 0.00 178.15 178.63 3gxr h ALA 67 N 0.54 0.94 -0.74 1.87 0.00 -1.02 -0.72 119.26 120.14 3gxr h ALA 67 Ca -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gxr h ALA 67 Cb 0.28 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3gxr h ALA 67 CO 0.02 -0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.25 3gxr h ALA 68 N 1.55 0.96 -0.46 0.00 0.00 -0.75 0.12 119.26 120.67 3gxr h ALA 68 Ca 0.39 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3gxr h ALA 68 Cb 0.62 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gxr h ALA 68 CO -0.44 0.62 -0.04 0.82 0.00 0.00 0.00 179.25 180.21 3gxr h ILE 69 N 1.08 1.27 -0.80 0.00 2.04 -0.67 0.33 117.51 120.76 3gxr h ILE 69 Ca 0.24 -1.12 0.10 0.00 1.00 0.00 0.00 64.86 65.08 3gxr h ILE 69 Cb 0.27 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 3gxr h ILE 69 CO -0.01 0.39 0.43 0.40 0.00 0.00 0.00 178.15 179.36 3gxr h ILE 70 N 0.68 0.85 -0.36 -0.67 2.04 -0.73 0.13 117.51 119.46 3gxr h ILE 70 Ca 0.13 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3gxr h ILE 70 Cb 0.56 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3gxr h ILE 70 CO 0.03 0.13 0.07 -1.28 0.00 0.00 0.00 178.15 177.10 3gxr h SER 71 N 0.70 0.55 -0.39 1.72 0.87 -0.30 -2.20 113.55 114.51 3gxr h SER 71 Ca 0.40 -0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 3gxr h SER 71 Cb 0.42 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3gxr h SER 71 CO -0.28 0.66 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.47 3gxr h ARG 72 N 0.43 0.77 0.05 2.24 9.65 -0.58 -1.00 114.38 125.93 3gxr h ARG 72 Ca 0.11 -0.31 -0.20 0.00 -1.10 0.00 0.00 59.98 58.49 3gxr h ARG 72 Cb 0.33 -0.04 0.02 0.00 -1.39 0.00 0.00 29.97 28.89 3gxr h ARG 72 CO 0.00 0.92 -0.79 0.93 2.80 0.00 0.00 179.97 183.83 3gxr h GLU 73 N 0.57 0.45 0.00 0.20 4.39 -0.73 -3.40 114.58 116.06 3gxr h GLU 73 Ca 0.09 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3gxr h GLU 73 Cb 0.65 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3gxr h GLU 73 CO 0.04 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 3gxr n SER 74 N -4.10 0.19 -3.83 1.42 3.41 -0.95 -4.95 113.62 104.82 3gxr n SER 74 Ca -0.12 -1.09 -0.29 0.00 -0.26 0.00 0.00 58.87 57.11 3gxr n SER 74 Cb 0.78 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.75 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 -0.05 -5.16 -3.12 4.33 5.12 -0.38 -0.54 116.66 116.87 3gxr n ARG 75 Ca 0.00 0.59 -0.23 0.00 -1.93 0.00 0.00 57.85 56.28 3gxr n ARG 75 Cb 0.46 -5.46 0.04 0.00 -1.16 0.00 0.00 32.46 26.34 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 -4.49 -1.02 0.00 7.54 0.00 -0.87 -3.18 120.51 118.49 3gxr n ALA 76 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3gxr n ALA 76 Cb 0.53 -4.06 0.00 0.00 0.00 0.00 0.00 19.45 15.92 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 -1.57 0.65 0.10 0.00 0.00 0.30 -4.73 105.19 99.93 3gxr n GLY 77 Ca -0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3gxr n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gxr n ASN 78 N 0.00 0.41 -1.28 1.61 5.15 -0.10 -5.10 115.26 115.95 3gxr n ASN 78 Ca 0.00 0.64 0.08 0.00 -0.60 0.00 0.00 54.58 54.70 3gxr n ASN 78 Cb 0.00 -0.71 0.31 0.00 -0.53 0.00 0.00 39.78 38.85 3gxr n ASN 78 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gxr n TYR 92 N -1.99 1.27 0.22 1.20 0.18 -1.26 -4.71 117.16 112.07 3gxr n TYR 92 Ca 0.01 -0.69 0.11 0.00 1.88 0.00 0.00 57.90 59.21 3gxr n TYR 92 Cb 0.12 -0.28 0.39 0.00 -0.38 0.00 0.00 39.34 39.19 3gxr n TYR 92 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 3gxr h ASN 93 N 3.06 0.00 -3.42 9.48 -0.26 -2.01 -3.46 115.58 118.97 3gxr h ASN 93 Ca 0.00 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.20 3gxr h ASN 93 Cb 1.43 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.66 3gxr h ASN 93 CO 0.24 0.16 0.11 -0.83 -1.06 0.00 0.00 177.43 176.05 3gxr s GLY 94 N -4.27 2.82 -0.13 2.83 0.00 -1.26 -0.42 107.32 106.90 3gxr s GLY 94 Ca 0.03 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.01 3gxr s GLY 94 CO 0.64 0.78 -0.18 -0.12 0.00 0.00 0.00 173.10 174.22 3gxr s PHE 95 N -0.95 2.28 0.00 1.90 5.36 0.01 -4.88 117.98 121.69 3gxr s PHE 95 Ca 0.34 -1.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 3gxr s PHE 95 Cb -0.22 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 3gxr s PHE 95 CO 0.23 -0.57 0.00 0.41 -1.46 0.00 0.00 175.22 173.84 3gxr n GLY 96 N 4.26 -3.02 0.39 13.12 0.00 -1.26 -1.55 105.19 117.12 3gxr n GLY 96 Ca -0.19 -1.79 0.16 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.63 0.99 3.38 -1.40 -1.50 115.31 114.63 3gxr h LEU 97 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gxr h LEU 97 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gxr h LEU 97 CO 0.00 0.21 0.00 0.23 0.09 0.00 0.00 178.44 178.97 3gxr n MET 98 N -4.53 2.52 -3.53 1.13 2.81 -1.26 -3.76 117.12 110.50 3gxr n MET 98 Ca 0.18 -2.07 -0.21 0.00 -1.81 0.00 0.00 57.70 53.80 3gxr n MET 98 Cb 0.61 -1.34 0.06 0.00 -0.71 0.00 0.00 33.22 31.84 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 0.81 -3.98 -1.66 0.03 1.13 -0.57 -4.91 117.38 108.24 3gxr n GLN 99 Ca 0.14 0.70 -0.47 0.00 -1.94 0.00 0.00 57.00 55.43 3gxr n GLN 99 Cb 0.46 -5.30 -0.04 0.00 0.11 0.00 0.00 30.24 25.46 3gxr n GLN 99 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gxr n VAL 100 N -3.97 0.03 -2.48 5.09 0.31 -0.60 -4.32 118.33 112.39 3gxr n VAL 100 Ca -0.21 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.69 3gxr n VAL 100 Cb 0.65 -1.42 -0.02 0.00 -0.91 0.00 0.00 33.84 32.14 3gxr n VAL 100 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gxr s ASP 101 N 0.82 6.43 0.00 4.52 -1.08 -1.26 -0.81 116.67 125.28 3gxr s ASP 101 Ca 0.79 0.50 0.24 0.00 -0.52 0.00 0.00 52.55 53.57 3gxr s ASP 101 Cb -0.72 -2.55 1.33 0.00 -1.46 0.00 0.00 42.92 39.52 3gxr s ASP 101 CO 0.40 -1.42 1.81 2.29 0.52 0.00 0.00 175.17 178.77 3gxr n LYS 102 N 8.14 0.54 0.02 4.34 2.85 0.44 -2.10 118.16 132.38 3gxr n LYS 102 Ca 0.13 0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.53 3gxr n LYS 102 Cb 0.49 -1.50 0.47 0.00 -0.65 0.00 0.00 35.03 33.84 3gxr n LYS 102 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3gxr n ARG 103 N -1.15 0.03 0.00 -1.58 1.74 -1.26 -4.02 116.66 110.41 3gxr n ARG 103 Ca 0.15 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3gxr n ARG 103 Cb 0.14 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3gxr n ARG 103 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gxr n TYR 104 N -1.61 0.00 -3.77 -1.55 4.01 -0.89 -5.07 117.16 108.28 3gxr n TYR 104 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 3gxr n TYR 104 Cb 0.27 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.22 -0.30 -0.45 -0.72 3.76 -1.05 -5.08 115.29 111.22 3gxr s HIS 105 Ca 0.00 0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 55.35 3gxr s HIS 105 Cb 0.00 0.11 0.03 0.00 1.11 0.00 0.00 32.58 33.82 3gxr s HIS 105 CO 0.00 -0.21 0.94 -1.21 -0.85 0.00 0.00 174.74 173.42 3gxr s GLU 106 N -0.15 3.59 0.33 1.40 2.02 -1.26 -4.25 118.70 120.38 3gxr s GLU 106 Ca -0.03 0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.93 3gxr s GLU 106 Cb -0.03 -3.91 -0.10 0.00 0.10 0.00 0.00 34.13 30.19 3gxr s GLU 106 CO 0.01 -1.20 1.35 -2.14 0.02 0.00 0.00 175.26 173.30 3gxr s PRO 107 N 3.78 4.30 0.09 0.39 0.02 -1.26 -5.01 135.00 137.31 3gxr s PRO 107 Ca 0.38 2.29 0.08 0.00 0.02 0.00 0.00 61.00 63.78 3gxr s PRO 107 Cb -0.10 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 3gxr s PRO 107 CO 0.26 -0.27 -0.18 1.03 -0.33 0.00 0.00 177.00 177.50 3gxr s ARG 108 N -1.76 1.88 0.11 5.54 0.52 -1.26 -5.07 118.95 118.90 3gxr s ARG 108 Ca 0.50 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 3gxr s ARG 108 Cb -0.41 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3gxr s ARG 108 CO 0.54 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.77 3gxr n GLY 109 N 1.03 -2.02 3.75 -3.53 0.00 -1.26 -3.79 105.19 99.37 3gxr n GLY 109 Ca -0.16 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.16 2.36 0.59 4.61 0.00 -1.26 -4.87 121.76 121.03 3gxr s ALA 110 Ca 0.00 0.83 0.29 0.00 0.00 0.00 0.00 51.96 53.08 3gxr s ALA 110 Cb 0.00 -3.42 1.57 0.00 0.00 0.00 0.00 23.12 21.27 3gxr s ALA 110 CO 0.00 -1.45 2.00 0.11 0.00 0.00 0.00 175.76 176.42 3gxr h TRP 111 N 0.22 0.00 -0.20 0.00 5.08 -1.97 -2.13 115.95 116.95 3gxr h TRP 111 Ca -0.48 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.42 3gxr h TRP 111 Cb 1.28 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.40 3gxr h TRP 111 CO 0.49 0.00 -0.11 0.27 -1.28 0.00 0.00 178.44 177.81 3gxr n ASN 112 N -3.75 2.69 -4.95 0.11 6.94 -1.26 -0.92 115.26 114.12 3gxr n ASN 112 Ca 0.05 -3.47 -0.23 0.00 -0.02 0.00 0.00 54.58 50.91 3gxr n ASN 112 Cb 0.48 -0.56 -0.00 0.00 -2.36 0.00 0.00 39.78 37.35 3gxr n ASN 112 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3gxr s SER 113 N -2.56 6.06 0.17 0.53 1.04 -0.80 -5.01 113.70 113.13 3gxr s SER 113 Ca 0.40 0.36 -0.15 0.00 0.48 0.00 0.00 55.95 57.05 3gxr s SER 113 Cb 0.36 -1.77 0.07 0.00 0.10 0.00 0.00 66.02 64.78 3gxr s SER 113 CO 0.02 -0.50 1.81 -0.08 0.98 0.00 0.00 173.24 175.46 3gxr h GLU 114 N 0.57 0.54 -0.96 4.02 4.81 -1.95 -2.38 114.58 119.22 3gxr h GLU 114 Ca -0.48 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 58.87 3gxr h GLU 114 Cb 1.24 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.41 3gxr h GLU 114 CO 0.59 0.36 0.61 1.49 -0.73 0.00 0.00 179.01 181.32 3gxr h GLU 115 N 0.55 0.78 -0.05 1.92 4.81 -1.91 0.15 114.58 120.83 3gxr h GLU 115 Ca 0.18 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3gxr h GLU 115 Cb 0.01 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 3gxr h GLU 115 CO -0.08 0.52 -0.06 1.25 -0.73 0.00 0.00 179.01 179.91 3gxr h HIS 116 N 0.80 0.14 -0.78 0.92 2.76 -1.59 -1.79 115.15 115.62 3gxr h HIS 116 Ca 0.50 -0.05 0.11 0.00 -2.20 0.00 0.00 60.37 58.73 3gxr h HIS 116 Cb 0.71 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.58 3gxr h HIS 116 CO -0.00 0.60 0.51 0.82 -1.30 0.00 0.00 177.93 178.56 3gxr h ILE 117 N -0.35 0.90 0.16 6.26 2.04 -0.86 -1.13 117.51 124.52 3gxr h ILE 117 Ca 0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3gxr h ILE 117 Cb 0.58 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3gxr h ILE 117 CO 0.01 0.12 -0.08 -0.78 0.00 0.00 0.00 178.15 177.42 3gxr h ASP 118 N 0.63 -0.18 -0.53 1.72 1.82 -0.62 -1.53 116.42 117.73 3gxr h ASP 118 Ca 0.37 -0.27 0.06 0.00 -0.39 0.00 0.00 57.03 56.80 3gxr h ASP 118 Cb 0.57 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.57 3gxr h ASP 118 CO -0.14 0.19 0.24 -0.61 -1.61 0.00 0.00 179.24 177.31 3gxr h GLN 119 N -0.57 0.45 -0.96 0.28 4.15 -0.96 -0.62 115.11 116.88 3gxr h GLN 119 Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3gxr h GLN 119 Cb 0.43 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 3gxr h GLN 119 CO 0.04 0.30 0.60 0.00 -1.93 0.00 0.00 178.83 177.84 3gxr h ALA 120 N 1.31 1.25 0.03 3.38 0.00 -1.11 -1.26 119.26 122.87 3gxr h ALA 120 Ca 0.25 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 3gxr h ALA 120 Cb 0.20 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3gxr h ALA 120 CO -0.20 0.66 -1.01 1.15 0.00 0.00 0.00 179.25 179.85 3gxr h THR 121 N 1.31 1.63 -0.68 0.00 2.02 -0.97 -1.62 112.91 114.59 3gxr h THR 121 Ca 0.35 -3.16 -0.03 0.00 0.77 0.00 0.00 66.41 64.34 3gxr h THR 121 Cb -0.09 2.77 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 3gxr h THR 121 CO -0.07 0.91 0.32 1.23 0.37 0.00 0.00 175.52 178.28 3gxr h GLY 122 N 2.47 1.04 0.99 2.16 0.00 -0.64 -0.98 103.07 108.11 3gxr h GLY 122 Ca -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3gxr h GLY 122 CO 0.14 0.48 0.00 -2.22 0.00 0.00 0.00 176.54 174.94 3gxr h ILE 123 N 0.97 1.26 -0.42 2.60 2.04 -0.79 -1.33 117.51 121.84 3gxr h ILE 123 Ca 0.24 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.11 3gxr h ILE 123 Cb 0.11 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 3gxr h ILE 123 CO -0.03 0.37 0.07 0.25 0.00 0.00 0.00 178.15 178.81 3gxr h LEU 124 N 0.68 -0.02 -0.81 1.44 5.85 -0.95 -1.14 115.31 120.36 3gxr h LEU 124 Ca 0.13 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.05 3gxr h LEU 124 Cb 0.50 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 3gxr h LEU 124 CO 0.02 0.02 0.43 0.58 -0.34 0.00 0.00 178.44 179.15 3gxr h VAL 125 N 0.19 0.81 -0.41 1.05 2.07 -0.92 0.24 116.25 119.27 3gxr h VAL 125 Ca 0.20 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3gxr h VAL 125 Cb 0.26 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.03 3gxr h VAL 125 CO -0.28 0.12 -0.08 0.78 0.02 0.00 0.00 177.57 178.13 3gxr h ASN 126 N 0.67 -0.35 -0.33 0.57 2.35 -0.33 -1.03 115.58 117.13 3gxr h ASN 126 Ca 0.42 0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 56.25 3gxr h ASN 126 Cb 0.50 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 3gxr h ASN 126 CO -0.31 -0.12 0.08 -0.26 -1.65 0.00 0.00 177.43 175.17 3gxr h PHE 127 N 0.02 0.63 -0.35 1.19 0.04 -0.23 -0.52 116.94 117.72 3gxr h PHE 127 Ca 0.20 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 3gxr h PHE 127 Cb 0.30 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3gxr h PHE 127 CO -0.35 0.56 0.16 0.82 -0.60 0.00 0.00 178.31 178.90 3gxr h ILE 128 N 0.60 1.17 -0.79 -0.55 2.04 -0.39 -0.34 117.51 119.26 3gxr h ILE 128 Ca 0.14 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3gxr h ILE 128 Cb 0.26 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 3gxr h ILE 128 CO 0.00 0.18 0.48 1.56 0.00 0.00 0.00 178.15 180.37 3gxr h GLN 129 N 0.42 0.87 -0.29 2.37 4.20 -0.68 -0.70 115.11 121.30 3gxr h GLN 129 Ca 0.12 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3gxr h GLN 129 Cb 0.14 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3gxr h GLN 129 CO -0.01 0.58 0.10 -0.07 -0.67 0.00 0.00 178.83 178.76 3gxr h LEU 130 N 0.90 0.41 -0.55 1.46 3.38 -0.87 -2.78 115.31 117.26 3gxr h LEU 130 Ca 0.34 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3gxr h LEU 130 Cb 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3gxr h LEU 130 CO -0.16 0.49 -0.09 0.40 0.09 0.00 0.00 178.44 179.17 3gxr h ILE 131 N 0.32 1.27 -0.93 1.22 1.08 -0.81 -1.12 117.51 118.53 3gxr h ILE 131 Ca 0.10 -1.25 0.15 0.00 -0.39 0.00 0.00 64.86 63.46 3gxr h ILE 131 Cb 0.21 0.96 -0.08 0.00 -3.07 0.00 0.00 36.82 34.84 3gxr h ILE 131 CO -0.01 0.44 0.60 1.56 -0.69 0.00 0.00 178.15 180.05 3gxr h GLN 132 N 0.90 0.74 0.01 2.37 4.20 -1.10 -0.98 115.11 121.25 3gxr h GLN 132 Ca 0.14 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 3gxr h GLN 132 Cb 0.66 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 28.29 3gxr h GLN 132 CO 0.05 0.49 -1.04 0.87 -0.67 0.00 0.00 178.83 178.53 3gxr h LYS 133 N 0.76 0.62 -0.15 1.46 1.79 -1.19 -3.19 116.57 116.69 3gxr h LYS 133 Ca 0.48 -0.68 -0.15 0.00 -2.18 0.00 0.00 60.65 58.11 3gxr h LYS 133 Cb 0.71 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 3gxr h LYS 133 CO -0.24 1.28 -0.55 -0.22 -1.08 0.00 0.00 179.45 178.64 3gxr h LYS 134 N 0.35 0.44 -2.15 3.15 3.64 -0.74 -3.37 116.57 117.88 3gxr h LYS 134 Ca -0.12 -0.27 -0.58 0.00 -1.27 0.00 0.00 60.65 58.40 3gxr h LYS 134 Cb 1.69 0.03 -0.41 0.00 -0.41 0.00 0.00 32.23 33.13 3gxr h LYS 134 CO 0.20 0.87 -0.73 1.19 -2.27 0.00 0.00 179.45 178.71 3gxr n PHE 135 N -3.94 2.71 0.32 1.91 3.72 -0.41 -4.95 117.46 116.82 3gxr n PHE 135 Ca -0.03 -4.00 0.13 0.00 -0.05 0.00 0.00 57.45 53.51 3gxr n PHE 135 Cb 0.59 -0.50 0.58 0.00 -0.94 0.00 0.00 39.48 39.22 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 3.92 0.00 0.00 -1.08 0.13 -1.72 -2.63 132.00 130.63 3gxr h PRO 136 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gxr h PRO 136 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3gxr h PRO 136 CO 0.74 0.00 -0.53 -1.13 -0.23 0.00 0.00 178.00 176.85 3gxr n SER 137 N -2.41 0.59 -4.77 1.44 3.41 -1.26 -4.92 113.62 105.69 3gxr n SER 137 Ca 0.01 0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 3gxr n SER 137 Cb 0.18 0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.34 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 -3.10 2.65 0.96 7.33 0.52 -0.99 -5.05 118.94 121.26 3gxr s TRP 138 Ca 0.08 1.54 -0.12 0.00 0.02 0.00 0.00 56.10 57.62 3gxr s TRP 138 Cb 0.15 -3.07 0.17 0.00 -1.15 0.00 0.00 33.47 29.57 3gxr s TRP 138 CO 0.70 -1.69 1.09 -1.54 0.02 0.00 0.00 176.95 175.53 3gxr s SER 139 N -3.16 2.92 0.28 2.95 1.04 -1.26 -4.84 113.70 111.63 3gxr s SER 139 Ca 0.63 1.32 -0.02 0.00 0.48 0.00 0.00 55.95 58.36 3gxr s SER 139 Cb -0.18 -2.00 0.40 0.00 0.10 0.00 0.00 66.02 64.35 3gxr s SER 139 CO 0.51 -2.97 1.86 0.74 0.98 0.00 0.00 173.24 174.37 3gxr h THR 140 N -1.78 1.22 -0.36 2.02 2.02 -1.97 -0.59 112.91 113.48 3gxr h THR 140 Ca -0.53 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 3gxr h THR 140 Cb 1.31 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3gxr h THR 140 CO 0.56 0.27 0.17 -0.33 0.37 0.00 0.00 175.52 176.57 3gxr h GLU 141 N 0.91 0.52 -0.74 6.66 3.07 -1.91 0.38 114.58 123.48 3gxr h GLU 141 Ca 0.22 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 3gxr h GLU 141 Cb 0.17 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3gxr h GLU 141 CO -0.02 0.47 0.36 1.96 -1.40 0.00 0.00 179.01 180.38 3gxr h GLN 142 N 0.45 1.07 -0.74 2.33 4.20 -1.81 -1.54 115.11 119.06 3gxr h GLN 142 Ca 0.12 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3gxr h GLN 142 Cb 0.13 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3gxr h GLN 142 CO -0.02 0.83 0.23 1.96 -0.67 0.00 0.00 178.83 181.16 3gxr h GLN 143 N 1.04 1.16 -0.35 1.46 4.20 -0.78 -1.09 115.11 120.75 3gxr h GLN 143 Ca 0.25 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3gxr h GLN 143 Cb 0.12 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3gxr h GLN 143 CO -0.03 0.99 0.19 1.25 -0.67 0.00 0.00 178.83 180.55 3gxr h LEU 144 N 1.11 0.29 -0.09 1.46 5.85 -0.40 0.03 115.31 123.56 3gxr h LEU 144 Ca 0.24 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3gxr h LEU 144 Cb 0.31 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3gxr h LEU 144 CO -0.01 0.22 -0.03 0.50 -0.34 0.00 0.00 178.44 178.78 3gxr h LYS 145 N 0.39 -0.01 -0.86 1.25 3.64 -0.97 -1.29 116.57 118.71 3gxr h LYS 145 Ca 0.14 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.69 3gxr h LYS 145 Cb 0.03 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.75 3gxr h LYS 145 CO -0.09 -0.01 0.44 0.78 -2.27 0.00 0.00 179.45 178.31 3gxr h GLY 146 N -0.01 1.43 1.08 5.01 0.00 -0.95 -1.78 103.07 107.84 3gxr h GLY 146 Ca 0.05 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3gxr h GLY 146 CO -0.10 -0.08 -0.16 0.00 0.00 0.00 0.00 176.54 176.20 3gxr h ALA 147 N 1.59 0.68 -0.27 3.60 0.00 -0.64 -0.32 119.26 123.90 3gxr h ALA 147 Ca 0.49 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gxr h ALA 147 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3gxr h ALA 147 CO -0.39 0.62 0.17 0.82 0.00 0.00 0.00 179.25 180.46 3gxr h ILE 148 N 0.82 1.09 -0.56 0.00 2.04 -0.76 0.01 117.51 120.16 3gxr h ILE 148 Ca 0.12 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.81 3gxr h ILE 148 Cb 0.73 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3gxr h ILE 148 CO 0.06 0.09 0.30 0.00 0.00 0.00 0.00 178.15 178.60 3gxr h ALA 149 N 1.07 0.72 -0.12 1.87 0.00 -1.16 -1.86 119.26 119.79 3gxr h ALA 149 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gxr h ALA 149 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gxr h ALA 149 CO -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 179.25 179.25 3gxr h ALA 150 N 1.29 1.87 -0.46 0.00 0.00 -0.80 0.79 119.26 121.95 3gxr h ALA 150 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3gxr h ALA 150 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gxr h ALA 150 CO -0.15 0.11 0.30 -0.92 0.00 0.00 0.00 179.25 178.59 3gxr h TYR 151 N 0.16 0.55 0.09 0.00 3.20 -0.12 0.41 116.97 121.26 3gxr h TYR 151 Ca 0.04 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.71 3gxr h TYR 151 Cb 0.04 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 3gxr h TYR 151 CO 0.00 0.34 -1.08 -0.97 -1.64 0.00 0.00 178.16 174.82 3gxr h ASN 152 N 0.59 0.30 -0.00 -2.11 -1.24 -0.88 -3.42 115.58 108.82 3gxr h ASN 152 Ca 0.17 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 56.33 3gxr h ASN 152 Cb -0.03 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 38.93 3gxr h ASN 152 CO -0.04 1.47 -0.10 1.07 -1.29 0.00 0.00 177.43 178.54 3gxr n THR 153 N -4.13 0.00 0.00 -3.57 5.66 -0.10 -4.96 114.28 107.18 3gxr n THR 153 Ca -0.22 -0.45 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 0.69 -0.11 0.23 1.09 0.00 0.14 -4.39 105.19 102.83 3gxr n GLY 154 Ca 0.02 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 0.43 1.61 2.03 -1.93 -2.46 116.42 116.10 3gxr h ASP 155 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 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 0.22 0.00 1.23 -1.03 0.00 0.00 179.24 179.66 3gxr h GLY 156 N 1.27 0.00 -2.45 7.15 0.00 -1.96 -2.10 103.07 104.97 3gxr h GLY 156 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gxr h GLY 156 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.11 3gxr n ARG 157 N -3.07 2.65 -3.78 4.80 1.74 -0.93 -4.77 116.66 113.31 3gxr n ARG 157 Ca -0.01 -2.50 -0.37 0.00 -0.77 0.00 0.00 57.85 54.20 3gxr n ARG 157 Cb 0.17 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.13 3.58 -0.02 1.55 1.01 -0.79 -4.54 120.40 120.06 3gxr s VAL 158 Ca 0.44 -1.28 0.09 0.00 0.00 0.00 0.00 61.98 61.23 3gxr s VAL 158 Cb 0.23 -3.07 -0.14 0.00 0.00 0.00 0.00 36.38 33.41 3gxr s VAL 158 CO 0.31 -0.22 0.20 -0.62 0.00 0.00 0.00 175.10 174.77 3gxr n GLU 159 N 4.76 0.31 -3.80 2.72 1.02 -1.26 -4.98 120.64 119.41 3gxr n GLU 159 Ca -0.12 -0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 56.87 3gxr n GLU 159 Cb 0.44 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 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 -3.01 -0.28 -0.06 1.62 1.04 -1.26 -5.03 113.70 106.72 3gxr s SER 160 Ca -0.03 -0.52 -0.26 0.00 0.48 0.00 0.00 55.95 55.62 3gxr s SER 160 Cb 0.06 0.68 -0.21 0.00 0.10 0.00 0.00 66.02 66.65 3gxr s SER 160 CO 0.37 -1.25 1.09 0.22 0.98 0.00 0.00 173.24 174.65 3gxr h TYR 161 N 2.00 -0.03 -0.22 5.02 3.20 -1.97 -1.55 116.97 123.43 3gxr h TYR 161 Ca -0.21 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.72 3gxr h TYR 161 Cb 1.25 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 3gxr h TYR 161 CO 0.40 0.59 0.21 0.93 -1.64 0.00 0.00 178.16 178.65 3gxr h GLU 162 N -0.66 0.00 -0.18 1.82 5.08 -2.03 -2.32 114.58 116.29 3gxr h GLU 162 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3gxr h GLU 162 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3gxr h GLU 162 CO 0.00 0.00 -0.03 -1.13 -1.00 0.00 0.00 179.01 176.85 3gxr n SER 163 N -3.94 3.09 -0.32 1.42 3.41 -1.21 -4.80 113.62 111.27 3gxr n SER 163 Ca 0.02 -3.19 0.15 0.00 -0.26 0.00 0.00 58.87 55.59 3gxr n SER 163 Cb 0.35 -0.52 0.39 0.00 -0.26 0.00 0.00 64.21 64.17 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 1.07 0.70 -0.05 -3.33 3.04 -0.69 -1.68 116.25 115.31 3gxr h VAL 164 Ca 0.03 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3gxr h VAL 164 Cb 1.31 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 3gxr h VAL 164 CO 0.17 0.12 0.00 0.47 -1.01 0.00 0.00 177.57 177.31 3gxr n ASP 165 N -4.66 2.59 0.30 3.17 8.00 -1.26 -4.64 116.55 120.05 3gxr n ASP 165 Ca 0.22 -1.86 0.18 0.00 0.71 0.00 0.00 54.79 54.04 3gxr n ASP 165 Cb 0.63 -0.02 0.93 0.00 -0.02 0.00 0.00 41.12 42.63 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 4.00 0.00 -0.24 -2.24 4.64 -1.57 -0.13 113.55 118.02 3gxr h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gxr h SER 166 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3gxr h SER 166 CO 0.00 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 3gxr n ARG 167 N -3.27 2.84 -2.77 4.77 5.12 -1.26 -4.83 116.66 117.27 3gxr n ARG 167 Ca -0.02 -2.04 -0.24 0.00 -1.93 0.00 0.00 57.85 53.62 3gxr n ARG 167 Cb 0.18 -1.29 0.02 0.00 -1.16 0.00 0.00 32.46 30.21 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 -1.31 3.95 0.21 0.55 -4.23 -0.06 -4.85 115.64 109.89 3gxr s THR 168 Ca 0.20 -0.28 -0.32 0.00 -1.18 0.00 0.00 61.69 60.11 3gxr s THR 168 Cb 0.13 -3.50 -0.12 0.00 1.34 0.00 0.00 72.50 70.35 3gxr s THR 168 CO 0.10 -0.41 1.67 0.41 -0.54 0.00 0.00 174.62 175.85 3gxr n THR 169 N -2.26 0.15 -0.45 3.99 -1.04 -1.26 -1.12 114.28 112.29 3gxr n THR 169 Ca 0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3gxr n THR 169 Cb 0.57 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 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 3.60 1.91 2.61 3.41 0.00 -1.26 -3.42 105.19 112.03 3gxr n GLY 170 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 -2.59 -0.41 1.61 5.02 -0.28 -4.66 118.16 114.85 3gxr n LYS 171 Ca 0.00 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3gxr n LYS 171 Cb 0.00 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 29.52 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 -2.06 0.00 0.20 4.39 5.75 -1.22 -4.66 116.55 118.95 3gxr n ASP 172 Ca -0.17 -1.28 -0.15 0.00 -0.01 0.00 0.00 54.79 53.19 3gxr n ASP 172 Cb 0.64 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.45 -0.39 2.11 3.20 -1.83 0.23 116.97 119.85 3gxr h TYR 173 Ca 0.00 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 3gxr h TYR 173 Cb 1.11 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 3gxr h TYR 173 CO -0.13 -0.19 -0.30 0.66 -1.64 0.00 0.00 178.16 176.56 3gxr h SER 174 N -0.64 0.87 -0.30 -2.11 4.64 -1.87 0.09 113.55 114.23 3gxr h SER 174 Ca -0.05 -0.35 0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3gxr h SER 174 Cb 0.46 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3gxr h SER 174 CO 0.08 1.10 0.16 0.78 -0.87 0.00 0.00 176.83 178.09 3gxr h ASN 175 N 0.71 0.25 0.13 4.97 4.21 -1.78 -0.82 115.58 123.24 3gxr h ASN 175 Ca 0.08 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 3gxr h ASN 175 Cb 0.85 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 3gxr h ASN 175 CO 0.07 0.19 -0.06 -0.78 -1.29 0.00 0.00 177.43 175.56 3gxr h ASP 176 N 0.33 -0.14 -0.58 5.81 3.58 -0.36 -2.44 116.42 122.62 3gxr h ASP 176 Ca 0.12 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.39 3gxr h ASP 176 Cb 0.02 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 3gxr h ASP 176 CO -0.07 0.13 0.36 0.58 -2.88 0.00 0.00 179.24 177.35 3gxr h VAL 177 N -0.42 1.08 -0.71 2.25 2.07 -0.89 0.46 116.25 120.09 3gxr h VAL 177 Ca -0.02 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3gxr h VAL 177 Cb 0.34 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3gxr h VAL 177 CO 0.03 0.13 0.42 0.58 0.02 0.00 0.00 177.57 178.75 3gxr h VAL 178 N 0.71 1.01 -0.42 2.57 2.07 -1.13 0.95 116.25 122.01 3gxr h VAL 178 Ca 0.23 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 3gxr h VAL 178 Cb 0.01 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3gxr h VAL 178 CO -0.09 0.14 -0.22 0.00 0.02 0.00 0.00 177.57 177.42 3gxr h ALA 179 N 1.35 0.60 -0.56 1.67 0.00 -0.86 -0.76 119.26 120.69 3gxr h ALA 179 Ca 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gxr h ALA 179 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3gxr h ALA 179 CO -0.16 0.58 0.30 0.00 0.00 0.00 0.00 179.25 179.97 3gxr h ARG 180 N 0.73 0.79 -0.84 0.00 3.08 -0.55 -2.37 114.38 115.21 3gxr h ARG 180 Ca 0.09 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3gxr h ARG 180 Cb 0.79 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 3gxr h ARG 180 CO 0.07 0.62 0.51 0.00 -1.07 0.00 0.00 179.97 180.10 3gxr h ALA 181 N 1.13 1.16 -0.20 0.04 0.00 -0.33 0.97 119.26 122.04 3gxr h ALA 181 Ca 0.20 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3gxr h ALA 181 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gxr h ALA 181 CO -0.03 0.24 -0.30 1.96 0.00 0.00 0.00 179.25 181.12 3gxr h GLN 182 N 0.93 0.40 -0.01 0.00 4.20 -1.01 0.40 115.11 120.02 3gxr h GLN 182 Ca 0.37 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 3gxr h GLN 182 Cb 0.20 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3gxr h GLN 182 CO -0.18 0.66 0.00 2.35 -0.67 0.00 0.00 178.83 180.99 3gxr h TRP 183 N 0.35 0.02 -0.74 2.96 7.01 -0.79 -2.76 115.95 122.00 3gxr h TRP 183 Ca 0.05 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.07 3gxr h TRP 183 Cb 0.70 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.72 3gxr h TRP 183 CO 0.02 0.20 0.49 1.88 -2.79 0.00 0.00 178.44 178.24 3gxr h TYR 184 N -0.16 0.90 -1.00 2.65 -1.99 -0.43 -1.59 116.97 115.36 3gxr h TYR 184 Ca 0.00 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.84 3gxr h TYR 184 Cb 0.19 -0.30 -0.07 0.00 2.00 0.00 0.00 36.73 38.54 3gxr h TYR 184 CO -0.01 0.54 0.64 -0.22 -0.00 0.00 0.00 178.16 179.11 3gxr h LYS 185 N 0.95 1.07 -0.00 4.88 1.63 -0.75 0.16 116.57 124.51 3gxr h LYS 185 Ca 0.29 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3gxr h LYS 185 Cb -0.02 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 3gxr h LYS 185 CO -0.07 0.71 -0.09 1.63 -3.45 0.00 0.00 179.45 178.18 3gxr n LYS 186 N -4.55 0.53 -3.22 1.90 5.02 -0.65 -4.36 118.16 112.82 3gxr n LYS 186 Ca 0.16 -0.13 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 3gxr n LYS 186 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.12 1.67 0.00 4.39 3.02 0.45 -4.93 115.26 118.74 3gxr n ASN 187 Ca 0.13 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 3gxr n ASN 187 Cb 0.27 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 0.89 1.54 0.27 7.41 0.00 -1.20 -4.82 105.19 109.29 3gxr n GLY 188 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.30 3gxr n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01