#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3b h GLU 3 N 0.00 0.00 -0.26 4.33 9.09 -2.05 -2.62 114.58 123.07 2g3b h GLU 3 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 2g3b h GLU 3 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2g3b h GLU 3 CO 0.00 0.00 -0.60 -0.09 0.05 0.00 0.00 179.01 178.37 2g3b h ARG 4 N 0.00 0.87 0.02 1.06 2.43 -2.04 -1.51 114.38 115.21 2g3b h ARG 4 Ca 0.00 -0.59 0.02 0.00 -0.81 0.00 0.00 59.98 58.60 2g3b h ARG 4 Cb 0.40 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2g3b h ARG 4 CO 0.00 1.22 -0.14 -0.09 -1.51 0.00 0.00 179.97 179.45 2g3b h ARG 5 N 0.65 -0.23 -0.64 0.20 2.43 -1.91 0.32 114.38 115.20 2g3b h ARG 5 Ca -0.00 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2g3b h ARG 5 Cb 1.22 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 2g3b h ARG 5 CO 0.13 -0.15 0.32 -0.44 -1.51 0.00 0.00 179.97 178.31 2g3b h ASP 6 N -0.24 0.42 -0.15 -3.80 5.19 -1.55 0.14 116.42 116.43 2g3b h ASP 6 Ca 0.04 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2g3b h ASP 6 Cb 0.29 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 2g3b h ASP 6 CO -0.12 0.26 -0.02 0.00 -3.12 0.00 0.00 179.24 176.23 2g3b h ALA 7 N 1.38 0.20 -0.44 3.45 0.00 -0.75 0.15 119.26 123.25 2g3b h ALA 7 Ca 0.31 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2g3b h ALA 7 Cb 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 2g3b h ALA 7 CO -0.24 -0.06 -0.18 0.82 0.00 0.00 0.00 179.25 179.59 2g3b h ILE 8 N -0.02 0.43 -0.81 0.00 2.04 -0.08 -1.41 117.51 117.67 2g3b h ILE 8 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2g3b h ILE 8 Cb 0.43 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2g3b h ILE 8 CO 0.01 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.52 2g3b h LEU 9 N -0.09 1.04 -0.22 1.44 4.07 -0.37 0.39 115.31 121.56 2g3b h LEU 9 Ca 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2g3b h LEU 9 Cb 0.42 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2g3b h LEU 9 CO -0.50 0.85 0.10 0.50 -1.08 0.00 0.00 178.44 178.32 2g3b h LYS 10 N 1.14 0.32 -0.88 1.13 1.63 -0.46 -1.10 116.57 118.35 2g3b h LYS 10 Ca 0.28 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.06 2g3b h LYS 10 Cb 0.06 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 2g3b h LYS 10 CO -0.04 0.34 0.58 0.00 -3.45 0.00 0.00 179.45 176.88 2g3b h ALA 11 N 0.96 1.15 -0.59 5.00 0.00 -1.02 -2.25 119.26 122.52 2g3b h ALA 11 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2g3b h ALA 11 Cb 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2g3b h ALA 11 CO -0.01 0.45 0.37 0.77 0.00 0.00 0.00 179.25 180.83 2g3b h SER 12 N 1.14 0.61 -0.61 0.00 0.02 -0.67 0.89 113.55 114.94 2g3b h SER 12 Ca 0.34 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2g3b h SER 12 Cb -0.04 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2g3b h SER 12 CO -0.10 0.43 0.27 0.00 -1.14 0.00 0.00 176.83 176.29 2g3b h ALA 13 N 1.25 1.28 -0.44 3.77 0.00 -0.92 0.14 119.26 124.35 2g3b h ALA 13 Ca 0.23 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2g3b h ALA 13 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2g3b h ALA 13 CO -0.09 0.54 -0.12 1.79 0.00 0.00 0.00 179.25 181.38 2g3b h THR 14 N 0.91 1.27 -0.71 0.00 1.35 -0.73 -0.80 112.91 114.21 2g3b h THR 14 Ca 0.22 -1.23 0.03 0.00 -0.55 0.00 0.00 66.41 64.88 2g3b h THR 14 Cb 0.15 1.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.69 2g3b h THR 14 CO -0.02 0.42 0.45 0.00 -0.25 0.00 0.00 175.52 176.11 2g3b h ALA 15 N 0.86 0.93 -0.26 6.62 0.00 -0.50 -2.12 119.26 124.79 2g3b h ALA 15 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2g3b h ALA 15 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2g3b h ALA 15 CO 0.05 0.23 0.14 0.82 0.00 0.00 0.00 179.25 180.49 2g3b h ILE 16 N 0.88 1.12 -0.20 0.00 2.04 -0.61 -2.12 117.51 118.62 2g3b h ILE 16 Ca 0.28 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2g3b h ILE 16 Cb 0.01 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2g3b h ILE 16 CO -0.11 0.12 0.08 0.00 0.00 0.00 0.00 178.15 178.24 2g3b h ALA 17 N 1.02 1.76 0.00 1.87 0.00 -0.49 -0.63 119.26 122.79 2g3b h ALA 17 Ca 0.09 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2g3b h ALA 17 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2g3b h ALA 17 CO -0.01 0.20 -2.09 1.04 0.00 0.00 0.00 179.25 178.38 2g3b n GLN 18 N -4.45 1.01 -0.02 0.00 6.02 -0.98 -4.59 117.38 114.37 2g3b n GLN 18 Ca 0.00 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 56.93 2g3b n GLN 18 Cb 0.12 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 2g3b n GLN 18 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2g3b n ARG 19 N -2.51 2.00 0.00 -1.09 1.74 -0.81 -5.11 116.66 110.89 2g3b n ARG 19 Ca -0.21 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 2g3b n ARG 19 Cb 0.91 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2g3b n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3b n GLY 20 N 2.41 -1.95 0.11 -0.13 0.00 -0.25 -4.78 105.19 100.61 2g3b n GLY 20 Ca -0.08 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 2g3b n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2g3b h ILE 21 N 0.00 1.16 -2.71 -0.61 1.08 -1.89 -3.40 117.51 111.15 2g3b h ILE 21 Ca 0.00 -2.80 -0.52 0.00 -0.39 0.00 0.00 64.86 61.14 2g3b h ILE 21 Cb 0.00 2.76 0.05 0.00 -3.07 0.00 0.00 36.82 36.56 2g3b h ILE 21 CO 0.00 0.82 0.98 -0.60 -0.69 0.00 0.00 178.15 178.65 2g3b s ARG 22 N -2.62 4.16 -0.15 2.37 3.52 -1.26 -1.05 118.95 123.91 2g3b s ARG 22 Ca -0.09 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 2g3b s ARG 22 Cb 0.07 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 2g3b s ARG 22 CO 0.85 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 2g3b n GLY 23 N 3.93 0.23 3.71 8.12 0.00 -1.26 -4.98 105.19 114.93 2g3b n GLY 23 Ca 0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2g3b n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g3b s LEU 24 N -0.33 4.35 0.28 0.99 2.96 -0.22 -5.04 118.68 121.67 2g3b s LEU 24 Ca 0.00 1.89 0.12 0.00 -0.22 0.00 0.00 54.13 55.92 2g3b s LEU 24 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 2g3b s LEU 24 CO 0.00 -0.45 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.80 2g3b s ARG 25 N 1.31 1.75 0.27 1.98 6.06 -1.26 -5.03 118.95 124.04 2g3b s ARG 25 Ca 0.57 -1.73 -0.00 0.00 -2.50 0.00 0.00 55.73 52.06 2g3b s ARG 25 Cb -0.26 -1.81 0.53 0.00 0.06 0.00 0.00 34.95 33.46 2g3b s ARG 25 CO 0.27 0.33 1.81 0.28 -2.50 0.00 0.00 175.30 175.49 2g3b h VAL 26 N 2.22 0.86 -0.24 7.11 2.07 -1.97 -1.02 116.25 125.28 2g3b h VAL 26 Ca -0.41 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 2g3b h VAL 26 Cb 1.26 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2g3b h VAL 26 CO 0.60 0.15 -0.15 0.78 0.02 0.00 0.00 177.57 178.98 2g3b h ASN 27 N 0.85 0.40 -0.15 0.57 2.35 -1.97 0.43 115.58 118.07 2g3b h ASN 27 Ca 0.48 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 2g3b h ASN 27 Cb 0.54 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2g3b h ASN 27 CO -0.29 0.58 0.07 0.44 -1.65 0.00 0.00 177.43 176.57 2g3b h ASP 28 N 0.38 0.19 -0.36 5.81 3.32 -1.64 -1.67 116.42 122.46 2g3b h ASP 28 Ca 0.07 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2g3b h ASP 28 Cb 0.49 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2g3b h ASP 28 CO 0.03 0.28 0.16 0.58 -1.72 0.00 0.00 179.24 178.57 2g3b h VAL 29 N 0.10 1.17 -0.97 -1.35 2.07 -0.19 -2.72 116.25 114.36 2g3b h VAL 29 Ca 0.05 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.17 2g3b h VAL 29 Cb 0.14 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 2g3b h VAL 29 CO -0.01 0.19 0.60 0.00 0.02 0.00 0.00 177.57 178.37 2g3b h ALA 30 N 1.01 1.42 -0.42 1.67 0.00 -0.06 0.14 119.26 123.02 2g3b h ALA 30 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2g3b h ALA 30 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2g3b h ALA 30 CO -0.01 0.23 0.13 1.49 0.00 0.00 0.00 179.25 181.09 2g3b h GLU 31 N 0.98 0.66 -0.03 0.00 4.57 -1.03 -1.55 114.58 118.18 2g3b h GLU 31 Ca 0.47 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 58.38 2g3b h GLU 31 Cb 0.42 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2g3b h GLU 31 CO -0.25 0.65 -0.58 0.28 -1.18 0.00 0.00 179.01 177.93 2g3b h VAL 32 N 0.54 1.40 0.00 0.32 2.07 -0.89 -3.11 116.25 116.58 2g3b h VAL 32 Ca 0.14 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.70 2g3b h VAL 32 Cb 0.26 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2g3b h VAL 32 CO -0.00 0.57 -0.03 0.00 0.02 0.00 0.00 177.57 178.13 2g3b h ALA 33 N 1.33 0.98 -0.16 1.67 0.00 -0.48 -3.47 119.26 119.14 2g3b h ALA 33 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2g3b h ALA 33 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2g3b h ALA 33 CO 0.08 0.00 -0.06 0.41 0.00 0.00 0.00 179.25 179.68 2g3b n GLY 34 N 1.28 0.65 3.53 0.00 0.00 -0.61 -4.74 105.19 105.30 2g3b n GLY 34 Ca 0.05 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 2g3b n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g3b s VAL 35 N -2.11 1.99 0.70 1.61 -7.23 -1.06 -5.06 120.40 109.24 2g3b s VAL 35 Ca 0.00 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 2g3b s VAL 35 Cb 0.00 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2g3b s VAL 35 CO 0.00 -0.16 1.06 -0.94 -0.31 0.00 0.00 175.10 174.75 2g3b s SER 36 N -3.59 5.36 0.34 4.85 1.04 -1.26 -4.33 113.70 116.11 2g3b s SER 36 Ca 0.33 1.48 0.02 0.00 0.48 0.00 0.00 55.95 58.26 2g3b s SER 36 Cb 0.05 -2.36 0.61 0.00 0.10 0.00 0.00 66.02 64.42 2g3b s SER 36 CO 0.16 -1.44 1.99 -0.65 0.98 0.00 0.00 173.24 174.29 2g3b h PRO 37 N -0.71 0.87 -0.53 4.02 0.11 -1.91 -1.81 132.00 132.04 2g3b h PRO 37 Ca -0.45 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.66 2g3b h PRO 37 Cb 1.22 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 2g3b h PRO 37 CO 0.59 0.58 0.27 0.78 -0.21 0.00 0.00 178.00 180.01 2g3b h GLY 38 N 0.90 0.74 1.04 -0.55 0.00 -1.99 0.89 103.07 104.10 2g3b h GLY 38 Ca 0.26 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2g3b h GLY 38 CO -0.06 0.12 0.13 -2.00 0.00 0.00 0.00 176.54 174.73 2g3b h LEU 39 N 0.52 0.97 -0.17 3.11 5.85 -1.86 0.57 115.31 124.30 2g3b h LEU 39 Ca 0.23 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2g3b h LEU 39 Cb 0.13 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2g3b h LEU 39 CO -0.16 0.96 0.10 0.25 -0.34 0.00 0.00 178.44 179.25 2g3b h LEU 40 N 0.93 0.21 -1.56 2.25 6.46 -0.81 0.09 115.31 122.89 2g3b h LEU 40 Ca 0.19 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2g3b h LEU 40 Cb 0.39 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2g3b h LEU 40 CO 0.01 0.22 -0.11 1.88 -0.62 0.00 0.00 178.44 179.82 2g3b h TYR 41 N 0.18 0.15 -0.27 1.25 -1.99 -0.67 -0.19 116.97 115.43 2g3b h TYR 41 Ca 0.06 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.79 2g3b h TYR 41 Cb 0.05 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 2g3b h TYR 41 CO -0.04 0.26 0.15 -0.92 -0.00 0.00 0.00 178.16 177.61 2g3b h TYR 42 N 0.14 0.28 -0.41 4.88 3.20 0.16 0.19 116.97 125.42 2g3b h TYR 42 Ca 0.03 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 2g3b h TYR 42 Cb 0.29 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2g3b h TYR 42 CO 0.00 0.16 -0.29 0.45 -1.64 0.00 0.00 178.16 176.85 2g3b h HIS 43 N 0.31 1.08 0.00 -3.82 3.86 -0.45 -3.40 115.15 112.73 2g3b h HIS 43 Ca 0.11 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2g3b h HIS 43 Cb 0.01 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2g3b h HIS 43 CO -0.08 1.10 0.00 1.19 0.86 0.00 0.00 177.93 181.00 2g3b n PHE 44 N -4.13 0.00 0.00 2.45 3.01 -0.13 -5.04 117.46 113.61 2g3b n PHE 44 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2g3b n PHE 44 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2g3b n PHE 44 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2g3b n LYS 45 N -0.05 0.00 -3.88 -1.08 4.81 0.68 -3.73 118.16 114.90 2g3b n LYS 45 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2g3b n LYS 45 Cb 0.03 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.09 2g3b n LYS 45 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2g3b n ASP 46 N 3.35 -1.88 -0.25 3.14 5.68 -1.26 -4.80 116.55 120.53 2g3b n ASP 46 Ca 0.00 -2.75 -0.03 0.00 -0.50 0.00 0.00 54.79 51.52 2g3b n ASP 46 Cb 0.00 3.27 0.09 0.00 -1.14 0.00 0.00 41.12 43.33 2g3b n ASP 46 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2g3b h ARG 47 N 0.00 0.81 -0.44 0.11 2.43 -2.00 -0.85 114.38 114.44 2g3b h ARG 47 Ca -0.31 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.71 2g3b h ARG 47 Cb 1.22 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2g3b h ARG 47 CO 0.40 0.54 -0.14 0.82 -1.51 0.00 0.00 179.97 180.07 2g3b h ILE 48 N 0.83 1.26 -0.70 1.20 1.08 -1.97 -0.88 117.51 118.34 2g3b h ILE 48 Ca 0.29 -1.24 0.03 0.00 -0.39 0.00 0.00 64.86 63.55 2g3b h ILE 48 Cb 0.07 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 2g3b h ILE 48 CO -0.13 0.42 0.44 1.23 -0.69 0.00 0.00 178.15 179.42 2g3b h GLY 49 N 0.97 1.01 0.98 5.37 0.00 -1.56 0.39 103.07 110.23 2g3b h GLY 49 Ca 0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2g3b h GLY 49 CO 0.05 0.28 0.16 -2.00 0.00 0.00 0.00 176.54 175.02 2g3b h LEU 50 N 0.86 0.31 -0.71 3.11 5.85 -0.81 0.30 115.31 124.22 2g3b h LEU 50 Ca 0.28 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 2g3b h LEU 50 Cb 0.02 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2g3b h LEU 50 CO -0.11 0.26 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.14 2g3b h LEU 51 N 0.32 0.94 -0.51 2.25 3.38 -0.74 -0.62 115.31 120.33 2g3b h LEU 51 Ca 0.09 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2g3b h LEU 51 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2g3b h LEU 51 CO -0.02 1.02 -0.11 -0.08 0.09 0.00 0.00 178.44 179.34 2g3b h GLU 52 N 0.87 0.97 -0.98 1.13 4.81 -0.83 0.22 114.58 120.78 2g3b h GLU 52 Ca 0.15 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2g3b h GLU 52 Cb 0.57 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2g3b h GLU 52 CO 0.03 1.04 0.63 0.00 -0.73 0.00 0.00 179.01 179.98 2g3b h ALA 53 N 0.90 1.27 -0.40 2.92 0.00 -0.66 -1.14 119.26 122.14 2g3b h ALA 53 Ca 0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2g3b h ALA 53 Cb 0.68 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2g3b h ALA 53 CO 0.05 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.70 2g3b h ALA 54 N 1.36 0.57 -0.71 0.00 0.00 -0.77 -1.10 119.26 118.62 2g3b h ALA 54 Ca 0.36 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2g3b h ALA 54 Cb -0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2g3b h ALA 54 CO -0.07 0.59 0.46 1.25 0.00 0.00 0.00 179.25 181.47 2g3b h LEU 55 N 0.70 0.76 -0.67 0.00 6.46 -0.36 -0.94 115.31 121.27 2g3b h LEU 55 Ca 0.08 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.74 2g3b h LEU 55 Cb 0.84 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 2g3b h LEU 55 CO 0.07 0.53 0.01 0.78 -0.62 0.00 0.00 178.44 179.22 2g3b h ASN 56 N 0.90 1.02 -0.17 1.25 2.35 -0.95 -0.62 115.58 119.36 2g3b h ASN 56 Ca 0.28 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2g3b h ASN 56 Cb -0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2g3b h ASN 56 CO -0.10 1.06 0.11 0.22 -1.65 0.00 0.00 177.43 177.08 2g3b h TYR 57 N 0.96 0.22 -0.57 1.19 3.20 -0.92 -1.27 116.97 119.78 2g3b h TYR 57 Ca 0.17 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 2g3b h TYR 57 Cb 0.54 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2g3b h TYR 57 CO 0.04 0.16 -0.01 0.82 -1.64 0.00 0.00 178.16 177.52 2g3b h ILE 58 N 0.21 1.27 -0.70 1.81 2.04 -1.02 -2.83 117.51 118.29 2g3b h ILE 58 Ca 0.06 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.81 2g3b h ILE 58 Cb -0.00 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 2g3b h ILE 58 CO -0.01 0.41 0.42 -1.13 0.00 0.00 0.00 178.15 177.84 2g3b h ASN 59 N 0.91 0.67 -0.75 1.72 -1.24 -0.99 -0.94 115.58 114.95 2g3b h ASN 59 Ca 0.16 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.14 2g3b h ASN 59 Cb 0.57 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 2g3b h ASN 59 CO 0.03 0.45 0.29 0.44 -1.29 0.00 0.00 177.43 177.35 2g3b h ASP 60 N 0.80 1.04 -0.39 1.15 3.32 -1.09 -0.14 116.42 121.12 2g3b h ASP 60 Ca 0.29 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2g3b h ASP 60 Cb 0.09 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2g3b h ASP 60 CO -0.14 0.94 -0.23 0.03 -1.72 0.00 0.00 179.24 178.11 2g3b h ARG 61 N 1.09 0.89 -0.53 3.56 3.08 -1.25 -2.43 114.38 118.78 2g3b h ARG 61 Ca 0.25 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2g3b h ARG 61 Cb 0.23 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2g3b h ARG 61 CO -0.02 1.03 0.21 0.00 -1.07 0.00 0.00 179.97 180.12 2g3b h ALA 62 N 0.96 0.70 -0.65 0.04 0.00 -0.75 -1.72 119.26 117.84 2g3b h ALA 62 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2g3b h ALA 62 Cb 0.79 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2g3b h ALA 62 CO 0.07 0.31 0.43 0.00 0.00 0.00 0.00 179.25 180.06 2g3b h ARG 63 N 0.73 0.86 -0.05 0.00 3.08 -0.95 -1.14 114.38 116.89 2g3b h ARG 63 Ca 0.18 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.21 2g3b h ARG 63 Cb 0.21 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2g3b h ARG 63 CO -0.01 0.57 -0.15 0.00 -1.07 0.00 0.00 179.97 179.30 2g3b h ALA 64 N 1.24 -0.13 -0.92 0.04 0.00 -1.12 -2.04 119.26 116.32 2g3b h ALA 64 Ca 0.24 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2g3b h ALA 64 Cb -0.10 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2g3b h ALA 64 CO -0.05 -0.63 0.59 1.88 0.00 0.00 0.00 179.25 181.04 2g3b h TYR 65 N -0.22 1.03 0.00 0.00 0.05 -1.00 0.22 116.97 117.04 2g3b h TYR 65 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2g3b h TYR 65 Cb 0.32 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2g3b h TYR 65 CO -0.23 0.50 0.00 0.54 -1.05 0.00 0.00 178.16 177.92 2g3b n ARG 66 N -4.52 0.12 0.00 4.88 1.74 -0.46 -3.75 116.66 114.67 2g3b n ARG 66 Ca 0.15 0.14 0.03 0.00 -0.77 0.00 0.00 57.85 57.40 2g3b n ARG 66 Cb 0.26 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 2g3b n ARG 66 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2g3b n SER 67 N -1.85 1.09 -4.60 0.55 3.41 -0.28 -3.88 113.62 108.06 2g3b n SER 67 Ca 0.06 -1.04 -0.53 0.00 -0.26 0.00 0.00 58.87 57.09 2g3b n SER 67 Cb 0.35 0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 2g3b n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g3b n GLU 68 N -0.14 1.32 -0.65 4.33 1.02 -0.09 -1.41 120.64 125.02 2g3b n GLU 68 Ca 0.03 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2g3b n GLU 68 Cb 0.13 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 2g3b n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g3b n GLY 69 N 5.16 0.64 3.37 0.62 0.00 -1.26 -5.04 105.19 108.67 2g3b n GLY 69 Ca 0.32 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2g3b n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g3b n GLU 70 N -2.65 0.28 -3.64 1.61 1.02 -0.50 -5.03 120.64 111.74 2g3b n GLU 70 Ca 0.00 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 2g3b n GLU 70 Cb 0.00 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 2g3b n GLU 70 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2g3b s GLY 71 N -1.10 -0.35 0.04 0.62 0.00 -1.26 -5.13 107.32 100.14 2g3b s GLY 71 Ca 0.63 0.64 -0.30 0.00 0.00 0.00 0.00 44.72 45.69 2g3b s GLY 71 CO 0.60 0.36 1.77 -1.35 0.00 0.00 0.00 173.10 174.48 2g3b s SER 72 N -1.58 6.54 -1.12 1.64 1.04 -1.26 -2.85 113.70 116.11 2g3b s SER 72 Ca -0.09 2.53 -0.04 0.00 0.48 0.00 0.00 55.95 58.83 2g3b s SER 72 Cb -0.02 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2g3b s SER 72 CO 0.03 -0.96 0.93 0.61 0.98 0.00 0.00 173.24 174.83 2g3b n GLY 73 N 4.21 -0.85 3.79 7.32 0.00 -1.26 -4.98 105.19 113.42 2g3b n GLY 73 Ca 0.18 0.40 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 2g3b n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g3b s ASP 74 N -3.77 7.06 1.02 1.61 1.01 -1.13 -5.03 116.67 117.43 2g3b s ASP 74 Ca 0.28 1.88 -0.12 0.00 0.71 0.00 0.00 52.55 55.30 2g3b s ASP 74 Cb -0.04 -2.57 0.18 0.00 1.01 0.00 0.00 42.92 41.49 2g3b s ASP 74 CO 0.75 -0.27 0.94 -1.54 0.21 0.00 0.00 175.17 175.25 2g3b n SER 75 N 0.10 -0.82 -0.09 0.27 3.41 -1.26 -4.76 113.62 110.47 2g3b n SER 75 Ca 0.04 0.18 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 2g3b n SER 75 Cb 0.51 -1.34 0.01 0.00 -0.26 0.00 0.00 64.21 63.13 2g3b n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g3b h ALA 76 N -2.14 0.36 -0.60 7.33 0.00 -1.96 -1.10 119.26 121.15 2g3b h ALA 76 Ca -0.50 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.58 2g3b h ALA 76 Cb 1.30 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 2g3b h ALA 76 CO 0.43 -0.33 0.14 -0.09 0.00 0.00 0.00 179.25 179.40 2g3b h ARG 77 N 0.20 0.27 -0.32 0.00 2.43 -1.96 0.21 114.38 115.21 2g3b h ARG 77 Ca 0.15 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2g3b h ARG 77 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2g3b h ARG 77 CO -0.19 0.18 0.16 -0.44 -1.51 0.00 0.00 179.97 178.17 2g3b h ASP 78 N 0.28 0.41 -0.28 -3.80 3.32 -1.84 0.69 116.42 115.19 2g3b h ASP 78 Ca 0.31 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2g3b h ASP 78 Cb 0.45 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2g3b h ASP 78 CO -0.38 0.40 0.08 0.03 -1.72 0.00 0.00 179.24 177.65 2g3b h ARG 79 N 0.38 0.44 -0.68 3.56 3.08 -0.39 -2.00 114.38 118.77 2g3b h ARG 79 Ca 0.11 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2g3b h ARG 79 Cb 0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2g3b h ARG 79 CO -0.02 0.51 0.30 -0.07 -1.07 0.00 0.00 179.97 179.62 2g3b h LEU 80 N 0.29 0.92 -0.28 3.04 4.07 -0.40 -2.67 115.31 120.27 2g3b h LEU 80 Ca 0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 2g3b h LEU 80 Cb 0.26 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2g3b h LEU 80 CO -0.00 0.81 0.08 0.74 -1.08 0.00 0.00 178.44 178.99 2g3b h THR 81 N 0.96 1.21 -0.58 0.22 2.02 -0.75 -0.15 112.91 115.84 2g3b h THR 81 Ca 0.23 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 2g3b h THR 81 Cb 0.16 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2g3b h THR 81 CO -0.02 0.23 0.17 0.03 0.37 0.00 0.00 175.52 176.29 2g3b h ARG 82 N 0.29 0.91 -0.02 6.66 3.08 -1.29 -1.31 114.38 122.69 2g3b h ARG 82 Ca 0.09 -0.20 -0.20 0.00 0.07 0.00 0.00 59.98 59.73 2g3b h ARG 82 Cb 0.27 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2g3b h ARG 82 CO -0.00 0.83 -0.85 1.03 -1.07 0.00 0.00 179.97 179.90 2g3b h SER 83 N 0.82 0.42 0.79 7.04 0.87 -1.39 -1.52 113.55 120.58 2g3b h SER 83 Ca 0.18 -0.32 -0.25 0.00 -1.23 0.00 0.00 61.79 60.18 2g3b h SER 83 Cb 0.31 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2g3b h SER 83 CO -0.00 1.10 -1.21 -0.07 -0.53 0.00 0.00 176.83 176.12 2g3b h LEU 84 N 0.20 0.14 0.00 2.23 3.38 -0.97 -3.38 115.31 116.92 2g3b h LEU 84 Ca -0.05 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2g3b h LEU 84 Cb 1.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2g3b h LEU 84 CO 0.14 1.14 -1.92 0.18 0.09 0.00 0.00 178.44 178.07 2g3b n LEU 85 N -3.37 0.07 -0.09 1.67 4.32 -0.50 -4.62 117.00 114.49 2g3b n LEU 85 Ca -0.06 0.01 0.22 0.00 -0.02 0.00 0.00 56.01 56.16 2g3b n LEU 85 Cb 0.99 -0.00 0.67 0.00 -1.62 0.00 0.00 43.42 43.45 2g3b n LEU 85 CO 0.49 -0.01 1.21 1.23 -1.22 0.00 0.00 177.39 179.09 2g3b h GLY 86 N 4.02 0.12 -2.19 -0.72 0.00 -1.43 -1.64 103.07 101.22 2g3b h GLY 86 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2g3b h GLY 86 CO 0.00 0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.73 2g3b n GLU 87 N -4.36 2.43 -3.81 4.80 1.02 -1.26 -4.60 120.64 114.86 2g3b n GLU 87 Ca 0.13 -2.19 -0.30 0.00 -0.02 0.00 0.00 57.16 54.79 2g3b n GLU 87 Cb 0.72 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.50 2g3b n GLU 87 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2g3b s ILE 88 N -1.41 1.83 0.02 -3.67 1.01 -0.62 -4.81 121.20 113.56 2g3b s ILE 88 Ca 0.40 -2.74 -0.07 0.00 0.00 0.00 0.00 60.65 58.24 2g3b s ILE 88 Cb 0.22 -2.29 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 2g3b s ILE 88 CO 0.31 -0.83 0.12 -1.10 0.00 0.00 0.00 174.94 173.44 2g3b s GLN 89 N 0.23 0.55 0.01 2.79 -0.21 -1.26 -4.94 119.66 116.84 2g3b s GLN 89 Ca 0.17 -0.59 0.18 0.00 0.02 0.00 0.00 55.36 55.14 2g3b s GLN 89 Cb -0.24 0.22 0.77 0.00 1.00 0.00 0.00 33.01 34.76 2g3b s GLN 89 CO -0.02 -0.14 1.58 -0.25 -2.12 0.00 0.00 175.29 174.35 2g3b n ASP 90 N 1.06 0.04 -4.68 5.90 8.00 -1.26 -4.22 116.55 121.40 2g3b n ASP 90 Ca -0.21 0.51 -0.49 0.00 0.71 0.00 0.00 54.79 55.31 2g3b n ASP 90 Cb 0.57 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 2g3b n ASP 90 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2g3b n ARG 91 N -1.54 1.96 -0.28 -1.24 0.00 -1.26 -4.85 116.66 109.45 2g3b n ARG 91 Ca 0.04 0.71 0.14 0.00 -0.00 0.00 0.00 57.85 58.75 2g3b n ARG 91 Cb 0.21 -2.50 0.40 0.00 0.00 0.00 0.00 32.46 30.57 2g3b n ARG 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2g3b h PRO 92 N 7.79 0.61 0.00 -0.14 0.11 -2.00 -1.62 132.00 136.75 2g3b h PRO 92 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2g3b h PRO 92 Cb 1.28 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2g3b h PRO 92 CO 0.92 0.41 -0.18 0.93 -0.21 0.00 0.00 178.00 179.87 2g3b h GLU 93 N 0.63 0.00 0.08 1.05 5.08 -1.96 -1.55 114.58 117.91 2g3b h GLU 93 Ca 0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2g3b h GLU 93 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2g3b h GLU 93 CO -0.23 0.02 -0.04 0.28 -1.00 0.00 0.00 179.01 178.05 2g3b h VAL 94 N 0.00 1.08 -0.22 3.13 2.07 -1.65 -1.32 116.25 119.34 2g3b h VAL 94 Ca -0.00 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2g3b h VAL 94 Cb 1.02 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2g3b h VAL 94 CO 0.00 0.14 0.09 0.58 0.02 0.00 0.00 177.57 178.40 2g3b h VAL 95 N -0.36 0.96 -0.45 2.57 2.07 -1.32 -0.14 116.25 119.58 2g3b h VAL 95 Ca -0.01 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2g3b h VAL 95 Cb 0.31 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2g3b h VAL 95 CO 0.02 0.04 0.27 -0.33 0.02 0.00 0.00 177.57 177.59 2g3b h GLU 96 N 0.20 0.54 -0.30 1.57 5.08 -1.30 0.70 114.58 121.06 2g3b h GLU 96 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2g3b h GLU 96 Cb 0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2g3b h GLU 96 CO -0.09 0.35 0.20 -0.97 -1.00 0.00 0.00 179.01 177.51 2g3b h ASN 97 N 0.55 0.35 0.16 1.42 -1.24 -0.88 -2.70 115.58 113.24 2g3b h ASN 97 Ca 0.18 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.08 2g3b h ASN 97 Cb -0.00 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 2g3b h ASN 97 CO -0.07 0.26 -0.33 0.28 -1.29 0.00 0.00 177.43 176.27 2g3b h SER 98 N 0.41 0.27 -0.38 1.15 0.02 -0.78 -1.90 113.55 112.33 2g3b h SER 98 Ca 0.11 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2g3b h SER 98 Cb -0.04 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2g3b h SER 98 CO -0.02 0.59 0.22 -0.07 -1.14 0.00 0.00 176.83 176.40 2g3b h LEU 99 N 0.23 0.34 -0.38 5.07 3.38 -0.68 0.37 115.31 123.65 2g3b h LEU 99 Ca 0.03 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2g3b h LEU 99 Cb 0.70 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2g3b h LEU 99 CO 0.05 0.25 -0.23 0.00 0.09 0.00 0.00 178.44 178.60 2g3b h ALA 100 N 1.18 0.54 -0.49 1.53 0.00 -1.28 -1.88 119.26 118.85 2g3b h ALA 100 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2g3b h ALA 100 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2g3b h ALA 100 CO -0.08 0.52 0.31 2.35 0.00 0.00 0.00 179.25 182.36 2g3b h TRP 101 N 0.63 0.63 -0.65 0.00 2.91 -1.26 -1.06 115.95 117.15 2g3b h TRP 101 Ca 0.08 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.20 2g3b h TRP 101 Cb 0.79 -0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 29.16 2g3b h TRP 101 CO 0.06 0.42 0.30 -0.97 -1.03 0.00 0.00 178.44 177.22 2g3b h ASN 102 N 0.66 0.36 -0.52 2.65 -1.24 -0.77 -0.07 115.58 116.66 2g3b h ASN 102 Ca 0.18 0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.13 2g3b h ASN 102 Cb -0.05 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 2g3b h ASN 102 CO -0.04 0.21 -0.16 -0.08 -1.29 0.00 0.00 177.43 176.08 2g3b h GLU 103 N 0.52 1.03 -0.52 6.67 4.57 -1.01 -1.76 114.58 124.07 2g3b h GLU 103 Ca 0.32 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2g3b h GLU 103 Cb 0.35 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 2g3b h GLU 103 CO -0.27 1.10 0.33 -0.07 -1.18 0.00 0.00 179.01 178.91 2g3b h LEU 104 N 0.90 0.61 -0.41 1.64 3.38 -0.69 0.41 115.31 121.15 2g3b h LEU 104 Ca 0.13 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2g3b h LEU 104 Cb 0.73 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2g3b h LEU 104 CO 0.06 0.47 0.19 -0.09 0.09 0.00 0.00 178.44 179.15 2g3b h ARG 105 N 0.71 0.37 -0.97 1.13 9.65 -0.95 -2.01 114.38 122.31 2g3b h ARG 105 Ca 0.19 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.09 2g3b h ARG 105 Cb -0.05 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.39 2g3b h ARG 105 CO -0.04 0.24 0.63 0.00 2.80 0.00 0.00 179.97 183.61 2g3b h ALA 106 N 1.24 1.30 0.00 2.80 0.00 -1.06 -3.23 119.26 120.30 2g3b h ALA 106 Ca 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2g3b h ALA 106 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2g3b h ALA 106 CO -0.15 0.50 -0.49 0.66 0.00 0.00 0.00 179.25 179.77 2g3b h SER 107 N 1.21 0.00 0.62 0.00 4.64 -0.19 -3.16 113.55 116.66 2g3b h SER 107 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2g3b h SER 107 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2g3b h SER 107 CO -0.13 0.49 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 2g3b h ALA 108 N 1.51 1.00 -0.56 5.18 0.00 -1.47 0.59 119.26 125.51 2g3b h ALA 108 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2g3b h ALA 108 Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2g3b h ALA 108 CO 0.06 0.00 0.24 0.28 0.00 0.00 0.00 179.25 179.84 2g3b h VAL 109 N 0.00 0.86 0.00 0.00 2.07 -1.71 -3.31 116.25 114.16 2g3b h VAL 109 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2g3b h VAL 109 Cb 0.31 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2g3b h VAL 109 CO 0.00 0.08 -1.53 0.00 0.02 0.00 0.00 177.57 176.15 2g3b n TYR 110 N -4.94 0.00 -3.17 1.57 0.18 -0.09 -4.75 117.16 105.97 2g3b n TYR 110 Ca 0.07 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.40 2g3b n TYR 110 Cb 0.20 -0.28 -0.01 0.00 -0.38 0.00 0.00 39.34 38.87 2g3b n TYR 110 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2g3b s GLU 111 N -2.89 3.94 0.52 -3.48 0.41 0.19 -4.89 118.70 112.50 2g3b s GLU 111 Ca -0.04 -2.65 0.23 0.00 -0.41 0.00 0.00 54.97 52.10 2g3b s GLU 111 Cb 0.09 -4.72 1.40 0.00 -1.78 0.00 0.00 34.13 29.11 2g3b s GLU 111 CO 0.58 -1.48 2.11 0.93 -0.49 0.00 0.00 175.26 176.90 2g3b h GLU 112 N 7.39 0.00 0.00 1.61 5.08 -1.86 -1.04 114.58 125.77 2g3b h GLU 112 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2g3b h GLU 112 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2g3b h GLU 112 CO 1.03 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 179.14 2g3b h ALA 113 N 1.91 1.00 -0.00 3.43 0.00 -1.91 -2.27 119.26 121.42 2g3b h ALA 113 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g3b h ALA 113 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2g3b h ALA 113 CO 0.01 0.00 -0.23 1.28 0.00 0.00 0.00 179.25 180.31 2g3b n LEU 114 N -2.35 0.40 -0.07 0.00 4.77 -0.39 -4.27 117.00 115.07 2g3b n LEU 114 Ca 0.02 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 2g3b n LEU 114 Cb 0.23 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 2g3b n LEU 114 CO 0.20 0.09 0.69 0.03 -1.33 0.00 0.00 177.39 177.07 2g3b h ARG 115 N 0.26 0.43 0.22 3.23 3.08 -1.53 -2.18 114.38 117.89 2g3b h ARG 115 Ca 0.00 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2g3b h ARG 115 Cb 0.46 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2g3b h ARG 115 CO 0.00 0.69 -0.11 0.22 -1.07 0.00 0.00 179.97 179.70 2g3b h ASP 116 N 0.15 -0.25 -0.38 7.04 3.58 -1.77 0.14 116.42 124.93 2g3b h ASP 116 Ca 0.05 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2g3b h ASP 116 Cb 0.54 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2g3b h ASP 116 CO 0.03 -0.18 0.13 1.55 -2.88 0.00 0.00 179.24 177.89 2g3b h PRO 117 N -0.30 0.65 -0.61 0.28 0.13 -1.80 -0.68 132.00 129.67 2g3b h PRO 117 Ca -0.03 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 64.94 2g3b h PRO 117 Cb 0.23 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.22 2g3b h PRO 117 CO 0.05 0.57 0.17 1.25 -0.23 0.00 0.00 178.00 179.81 2g3b h LEU 118 N 0.63 0.91 -0.16 1.56 5.85 -1.11 -1.22 115.31 121.77 2g3b h LEU 118 Ca 0.15 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2g3b h LEU 118 Cb 0.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2g3b h LEU 118 CO -0.01 0.89 0.06 0.00 -0.34 0.00 0.00 178.44 179.03 2g3b h ALA 119 N 1.05 0.21 -0.30 1.25 0.00 -0.27 0.20 119.26 121.40 2g3b h ALA 119 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2g3b h ALA 119 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2g3b h ALA 119 CO -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.08 2g3b h ARG 120 N 0.09 0.53 -0.34 0.00 3.08 -1.03 0.36 114.38 117.06 2g3b h ARG 120 Ca 0.05 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 2g3b h ARG 120 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2g3b h ARG 120 CO -0.00 0.66 -0.34 1.79 -1.07 0.00 0.00 179.97 181.01 2g3b h THR 121 N 0.33 1.28 -0.39 2.04 1.35 -1.26 -2.32 112.91 113.95 2g3b h THR 121 Ca 0.09 -1.50 -0.08 0.00 -0.55 0.00 0.00 66.41 64.38 2g3b h THR 121 Cb 0.41 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2g3b h THR 121 CO 0.01 0.49 -0.07 0.74 -0.25 0.00 0.00 175.52 176.44 2g3b h THR 122 N 0.65 1.24 -0.61 6.82 2.02 -0.68 -2.77 112.91 119.57 2g3b h THR 122 Ca 0.07 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.23 2g3b h THR 122 Cb 0.88 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 2g3b h THR 122 CO 0.08 0.35 0.41 0.00 0.37 0.00 0.00 175.52 176.72 2g3b h ALA 123 N 1.31 1.61 -0.28 6.16 0.00 0.05 0.24 119.26 128.35 2g3b h ALA 123 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2g3b h ALA 123 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2g3b h ALA 123 CO 0.03 0.35 -0.41 0.00 0.00 0.00 0.00 179.25 179.21 2g3b h ALA 124 N 1.63 0.75 -0.18 0.00 0.00 -1.16 0.70 119.26 121.00 2g3b h ALA 124 Ca 0.23 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2g3b h ALA 124 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2g3b h ALA 124 CO -0.06 0.66 0.01 2.35 0.00 0.00 0.00 179.25 182.22 2g3b h TRP 125 N 0.56 0.33 -0.81 0.00 7.01 -1.18 -2.88 115.95 118.98 2g3b h TRP 125 Ca 0.04 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2g3b h TRP 125 Cb 0.94 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.87 2g3b h TRP 125 CO 0.05 0.49 0.53 0.28 -2.79 0.00 0.00 178.44 176.99 2g3b h VAL 126 N 0.08 1.15 -0.39 2.65 2.07 -0.79 -2.58 116.25 118.45 2g3b h VAL 126 Ca 0.05 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2g3b h VAL 126 Cb 0.35 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2g3b h VAL 126 CO 0.01 0.19 0.13 -1.28 0.02 0.00 0.00 177.57 176.64 2g3b h SER 127 N 1.04 0.51 -0.45 0.57 0.87 -0.82 0.93 113.55 116.19 2g3b h SER 127 Ca 0.31 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2g3b h SER 127 Cb -0.04 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 2g3b h SER 127 CO -0.10 0.48 0.28 -0.08 -0.53 0.00 0.00 176.83 176.89 2g3b h GLU 128 N 0.55 0.55 -0.24 2.24 4.57 -1.23 0.22 114.58 121.24 2g3b h GLU 128 Ca 0.13 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2g3b h GLU 128 Cb 0.16 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2g3b h GLU 128 CO -0.01 0.37 -0.09 0.82 -1.18 0.00 0.00 179.01 178.92 2g3b h ILE 129 N 0.57 1.29 -0.68 2.32 1.08 -1.36 -2.08 117.51 118.65 2g3b h ILE 129 Ca 0.17 -1.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 2g3b h ILE 129 Cb -0.02 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 2g3b h ILE 129 CO -0.06 0.35 0.38 0.00 -0.69 0.00 0.00 178.15 178.13 2g3b h ALA 130 N 0.73 0.88 -0.14 1.87 0.00 -0.61 -1.83 119.26 120.16 2g3b h ALA 130 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g3b h ALA 130 Cb 0.58 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2g3b h ALA 130 CO 0.03 0.38 0.08 0.22 0.00 0.00 0.00 179.25 179.96 2g3b h ASP 131 N 0.94 0.17 -0.68 0.00 3.58 -0.97 -1.17 116.42 118.29 2g3b h ASP 131 Ca 0.24 -0.07 0.14 0.00 0.42 0.00 0.00 57.03 57.76 2g3b h ASP 131 Cb 0.02 -0.04 -0.10 0.00 1.72 0.00 0.00 39.33 40.93 2g3b h ASP 131 CO -0.04 0.19 0.18 0.00 -2.88 0.00 0.00 179.24 176.70 2g3b h ALA 132 N 0.99 0.87 0.03 -0.78 0.00 -1.09 -1.21 119.26 118.07 2g3b h ALA 132 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2g3b h ALA 132 Cb 0.06 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2g3b h ALA 132 CO -0.01 -0.29 -0.02 0.82 0.00 0.00 0.00 179.25 179.75 2g3b h ILE 133 N 0.30 0.97 -0.49 0.00 2.04 -1.02 -2.37 117.51 116.96 2g3b h ILE 133 Ca 0.37 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 66.27 2g3b h ILE 133 Cb 0.58 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2g3b h ILE 133 CO -0.44 0.00 0.22 0.58 0.00 0.00 0.00 178.15 178.52 2g3b h VAL 134 N -0.05 0.92 -0.52 1.67 2.07 -0.89 0.19 116.25 119.65 2g3b h VAL 134 Ca -0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2g3b h VAL 134 Cb 0.04 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2g3b h VAL 134 CO 0.01 0.08 0.30 1.56 0.02 0.00 0.00 177.57 179.54 2g3b h GLN 135 N 0.44 0.59 -0.41 1.57 1.08 -1.17 -1.97 115.11 115.23 2g3b h GLN 135 Ca 0.22 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.29 2g3b h GLN 135 Cb 0.16 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2g3b h GLN 135 CO -0.18 0.39 -0.12 0.00 -0.95 0.00 0.00 178.83 177.97 2g3b h ALA 136 N 1.23 1.03 -0.20 3.87 0.00 -0.83 -2.56 119.26 121.80 2g3b h ALA 136 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2g3b h ALA 136 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2g3b h ALA 136 CO -0.10 0.59 -0.08 1.96 0.00 0.00 0.00 179.25 181.62 2g3b h GLN 137 N 0.66 0.30 -0.63 0.00 4.20 -0.26 0.11 115.11 119.49 2g3b h GLN 137 Ca 0.11 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2g3b h GLN 137 Cb 0.58 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2g3b h GLN 137 CO 0.04 0.40 0.15 0.00 -0.67 0.00 0.00 178.83 178.75 2g3b h ALA 138 N 1.63 1.06 0.00 3.87 0.00 -0.94 -2.75 119.26 122.14 2g3b h ALA 138 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2g3b h ALA 138 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2g3b h ALA 138 CO 0.02 0.62 -0.16 1.79 0.00 0.00 0.00 179.25 181.51 2g3b h THR 139 N 0.95 0.00 0.00 0.00 1.35 -1.35 -3.48 112.91 110.39 2g3b h THR 139 Ca 0.20 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2g3b h THR 139 Cb 0.35 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2g3b h THR 139 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2g3b n GLY 140 N 1.12 0.74 0.33 5.82 0.00 0.31 -4.95 105.19 108.56 2g3b n GLY 140 Ca 0.03 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.26 2g3b n GLY 140 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2g3b h GLU 141 N 3.68 0.00 -5.29 1.61 4.81 -1.63 -3.40 114.58 114.35 2g3b h GLU 141 Ca 0.00 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 2g3b h GLU 141 Cb 0.00 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.11 2g3b h GLU 141 CO 0.00 0.00 -0.80 0.42 -0.73 0.00 0.00 179.01 177.90 2g3b s ILE 142 N -4.19 1.10 0.09 2.32 1.01 -1.22 -4.98 121.20 115.33 2g3b s ILE 142 Ca -0.04 -0.78 -0.37 0.00 0.00 0.00 0.00 60.65 59.46 2g3b s ILE 142 Cb 0.13 -0.96 -0.17 0.00 0.01 0.00 0.00 42.46 41.48 2g3b s ILE 142 CO 0.45 0.17 1.35 -0.24 0.00 0.00 0.00 174.94 176.66 2g3b n SER 143 N 2.35 1.68 0.09 3.58 2.88 -1.26 -4.36 113.62 118.57 2g3b n SER 143 Ca -0.16 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 2g3b n SER 143 Cb 0.55 -1.19 0.46 0.00 -0.75 0.00 0.00 64.21 63.27 2g3b n SER 143 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2g3b n ARG 144 N 2.56 0.17 0.17 -1.46 1.74 -1.26 -3.14 116.66 115.43 2g3b n ARG 144 Ca 0.18 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 2g3b n ARG 144 Cb 0.19 -1.75 0.25 0.00 -1.02 0.00 0.00 32.46 30.13 2g3b n ARG 144 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2g3b h SER 145 N 0.00 0.00 -2.98 0.55 4.64 -2.01 -3.45 113.55 110.30 2g3b h SER 145 Ca 0.00 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 2g3b h SER 145 Cb 0.53 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.69 2g3b h SER 145 CO 0.00 0.00 0.91 0.18 -0.87 0.00 0.00 176.83 177.06 2g3b n LEU 146 N -2.73 4.12 -4.55 5.97 4.77 -1.19 -5.00 117.00 118.39 2g3b n LEU 146 Ca 0.04 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.72 2g3b n LEU 146 Cb 0.49 -1.57 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 2g3b n LEU 146 CO 0.33 0.11 0.33 -0.62 -1.33 0.00 0.00 177.39 176.21 2g3b s ASP 147 N 0.75 6.36 0.16 -1.43 -1.08 -1.26 -4.98 116.67 115.18 2g3b s ASP 147 Ca 0.69 -0.07 -0.15 0.00 -0.52 0.00 0.00 52.55 52.50 2g3b s ASP 147 Cb -0.51 -2.30 0.05 0.00 -1.46 0.00 0.00 42.92 38.69 2g3b s ASP 147 CO 0.42 -0.61 1.81 -0.65 0.52 0.00 0.00 175.17 176.66 2g3b h PRO 148 N 8.58 0.52 0.15 4.34 0.11 -1.94 -0.52 132.00 143.24 2g3b h PRO 148 Ca -0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2g3b h PRO 148 Cb 1.11 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2g3b h PRO 148 CO 0.83 0.34 -0.07 0.37 -0.21 0.00 0.00 178.00 179.26 2g3b h GLN 149 N 0.54 -0.19 -0.95 1.05 5.75 -1.94 -0.00 115.11 119.36 2g3b h GLN 149 Ca 0.17 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.82 2g3b h GLN 149 Cb -0.01 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.50 2g3b h GLN 149 CO -0.07 0.15 0.60 -1.35 -2.65 0.00 0.00 178.83 175.51 2g3b h PRO 150 N -0.56 0.79 -0.32 -2.39 0.11 -1.98 0.15 132.00 127.80 2g3b h PRO 150 Ca -0.02 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 2g3b h PRO 150 Cb 0.43 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2g3b h PRO 150 CO 0.03 0.52 -0.13 1.15 -0.21 0.00 0.00 178.00 179.37 2g3b h THR 151 N 0.82 1.29 -0.25 -1.15 2.02 -0.86 -1.55 112.91 113.22 2g3b h THR 151 Ca 0.49 -1.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 2g3b h THR 151 Cb 0.66 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2g3b h THR 151 CO -0.25 0.39 -0.29 0.00 0.37 0.00 0.00 175.52 175.75 2g3b h ALA 152 N 0.78 1.05 -0.40 6.16 0.00 -0.43 -2.56 119.26 123.86 2g3b h ALA 152 Ca 0.08 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2g3b h ALA 152 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2g3b h ALA 152 CO 0.04 0.58 -0.34 0.28 0.00 0.00 0.00 179.25 179.81 2g3b h VAL 153 N 0.43 1.27 0.00 0.00 2.07 -0.49 -2.34 116.25 117.19 2g3b h VAL 153 Ca 0.06 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2g3b h VAL 153 Cb 0.72 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2g3b h VAL 153 CO 0.06 0.51 0.00 0.41 0.02 0.00 0.00 177.57 178.56 2g3b n THR 154 N -4.07 0.15 0.00 2.57 -1.04 -0.60 -1.35 114.28 109.94 2g3b n THR 154 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2g3b n THR 154 Cb 0.52 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 2g3b n THR 154 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2g3b n THR 156 N 0.40 0.00 -0.00 12.58 -2.24 -0.88 -1.24 114.28 122.90 2g3b n THR 156 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2g3b n THR 156 Cb 0.16 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.60 2g3b n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g3b h ALA 157 N 0.00 1.13 -0.33 6.98 0.00 -1.46 -1.43 119.26 124.15 2g3b h ALA 157 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2g3b h ALA 157 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2g3b h ALA 157 CO 0.00 0.54 0.20 1.25 0.00 0.00 0.00 179.25 181.25 2g3b h LEU 158 N 0.47 0.34 -0.31 0.00 5.85 -1.44 -0.75 115.31 119.47 2g3b h LEU 158 Ca 0.08 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2g3b h LEU 158 Cb 0.60 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2g3b h LEU 158 CO 0.04 0.24 -0.10 0.58 -0.34 0.00 0.00 178.44 178.87 2g3b h VAL 159 N 0.41 0.64 -0.54 1.05 2.07 -1.71 0.43 116.25 118.61 2g3b h VAL 159 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 2g3b h VAL 159 Cb -0.02 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2g3b h VAL 159 CO -0.05 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.46 2g3b h GLU 160 N -0.03 0.46 -0.16 1.57 5.08 -0.90 0.23 114.58 120.83 2g3b h GLU 160 Ca 0.15 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2g3b h GLU 160 Cb 0.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2g3b h GLU 160 CO -0.34 0.31 0.09 0.78 -1.00 0.00 0.00 179.01 178.85 2g3b h GLY 161 N 0.48 0.24 0.98 -3.84 0.00 -0.77 -0.64 103.07 99.52 2g3b h GLY 161 Ca 0.25 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 2g3b h GLY 161 CO -0.20 0.11 0.01 1.41 0.00 0.00 0.00 176.54 177.86 2g3b h LEU 162 N 0.16 0.77 -1.19 3.11 3.38 -0.77 -2.63 115.31 118.15 2g3b h LEU 162 Ca 0.06 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2g3b h LEU 162 Cb 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2g3b h LEU 162 CO -0.01 0.88 0.57 -1.28 0.09 0.00 0.00 178.44 178.69 2g3b h SER 163 N 0.63 0.87 -0.70 -0.43 0.87 -0.43 -0.48 113.55 113.89 2g3b h SER 163 Ca 0.13 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2g3b h SER 163 Cb 0.48 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 2g3b h SER 163 CO 0.02 0.57 0.31 1.23 -0.53 0.00 0.00 176.83 178.43 2g3b h GLY 164 N 1.00 1.12 1.17 5.77 0.00 -0.76 -0.92 103.07 110.45 2g3b h GLY 164 Ca 0.36 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 2g3b h GLY 164 CO -0.13 0.54 -0.19 3.21 0.00 0.00 0.00 176.54 179.97 2g3b h ARG 165 N 1.03 0.95 -0.43 4.80 3.08 -1.11 -2.84 114.38 119.87 2g3b h ARG 165 Ca 0.24 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.93 2g3b h ARG 165 Cb 0.16 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2g3b h ARG 165 CO -0.02 1.06 0.25 2.35 -1.07 0.00 0.00 179.97 182.53 2g3b h TRP 166 N 0.83 0.46 0.00 3.04 7.01 -0.82 -0.29 115.95 126.19 2g3b h TRP 166 Ca 0.11 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2g3b h TRP 166 Cb 0.75 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 2g3b h TRP 166 CO 0.05 0.26 0.00 -0.07 -2.79 0.00 0.00 178.44 175.89 2g3b h LEU 167 N 0.50 0.00 -0.23 0.65 3.38 -1.16 -0.53 115.31 117.92 2g3b h LEU 167 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2g3b h LEU 167 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2g3b h LEU 167 CO -0.09 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.41 2g3b n LYS 169 N -0.84 -1.64 0.09 0.00 5.02 -0.21 -4.87 118.16 115.71 2g3b n LYS 169 Ca 0.19 1.06 0.03 0.00 -2.02 0.00 0.00 58.31 57.56 2g3b n LYS 169 Cb 0.22 -5.67 -0.02 0.00 -0.02 0.00 0.00 35.03 29.53 2g3b n LYS 169 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2g3b h GLU 170 N 0.00 0.00 -4.31 1.97 4.81 -1.27 -3.46 114.58 112.32 2g3b h GLU 170 Ca -0.49 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.45 2g3b h GLU 170 Cb 1.37 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.49 2g3b h GLU 170 CO 0.60 0.29 -0.74 -1.50 -0.73 0.00 0.00 179.01 176.92 2g3b s ILE 171 N -3.02 0.40 0.73 2.32 2.07 -1.22 -4.98 121.20 117.49 2g3b s ILE 171 Ca 0.00 -0.46 -0.11 0.00 -1.41 0.00 0.00 60.65 58.67 2g3b s ILE 171 Cb 0.08 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.32 2g3b s ILE 171 CO 0.78 -0.05 1.08 -0.94 -1.91 0.00 0.00 174.94 173.90 2g3b s SER 172 N -0.56 4.98 0.21 4.50 1.04 -1.26 -4.41 113.70 118.20 2g3b s SER 172 Ca -0.02 1.73 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 2g3b s SER 172 Cb -0.04 -2.51 0.28 0.00 0.10 0.00 0.00 66.02 63.84 2g3b s SER 172 CO -0.00 -1.72 1.70 0.74 0.98 0.00 0.00 173.24 174.95 2g3b h THR 173 N -0.84 0.64 -0.49 2.02 2.02 -1.98 -0.53 112.91 113.76 2g3b h THR 173 Ca -0.44 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 2g3b h THR 173 Cb 1.22 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2g3b h THR 173 CO 0.54 0.04 0.12 -0.33 0.37 0.00 0.00 175.52 176.27 2g3b h GLU 174 N 0.25 0.78 -0.44 6.66 3.07 -1.96 -1.82 114.58 121.11 2g3b h GLU 174 Ca 0.30 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 2g3b h GLU 174 Cb 0.45 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2g3b h GLU 174 CO -0.40 0.76 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.38 2g3b h ASP 175 N 0.67 0.90 -0.62 1.42 3.32 -1.83 -0.42 116.42 119.85 2g3b h ASP 175 Ca 0.15 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.85 2g3b h ASP 175 Cb 0.33 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2g3b h ASP 175 CO 0.00 1.08 0.38 0.00 -1.72 0.00 0.00 179.24 178.98 2g3b h ALA 176 N 0.85 0.81 -0.49 3.45 0.00 -0.93 -0.51 119.26 122.44 2g3b h ALA 176 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2g3b h ALA 176 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2g3b h ALA 176 CO 0.05 0.13 -0.12 0.00 0.00 0.00 0.00 179.25 179.31 2g3b h ARG 177 N 0.76 0.92 -0.39 0.00 3.08 -1.21 -2.49 114.38 115.05 2g3b h ARG 177 Ca 0.25 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2g3b h ARG 177 Cb 0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2g3b h ARG 177 CO -0.10 0.98 -0.05 1.03 -1.07 0.00 0.00 179.97 180.76 2g3b h SER 178 N 0.82 0.72 -0.58 7.04 0.87 -0.62 -0.30 113.55 121.49 2g3b h SER 178 Ca 0.13 -0.34 0.08 0.00 -1.23 0.00 0.00 61.79 60.43 2g3b h SER 178 Cb 0.65 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.35 2g3b h SER 178 CO 0.05 0.89 0.22 0.45 -0.53 0.00 0.00 176.83 177.91 2g3b h HIS 179 N 0.53 0.39 -0.26 2.24 3.86 -0.98 0.93 115.15 121.86 2g3b h HIS 179 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2g3b h HIS 179 Cb 0.55 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2g3b h HIS 179 CO 0.04 0.11 0.11 -0.07 0.86 0.00 0.00 177.93 178.99 2g3b h LEU 180 N 0.41 0.35 -0.75 2.43 3.38 -1.24 -0.64 115.31 119.25 2g3b h LEU 180 Ca 0.29 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2g3b h LEU 180 Cb 0.33 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2g3b h LEU 180 CO -0.28 0.41 0.40 -0.07 0.09 0.00 0.00 178.44 178.98 2g3b h LEU 181 N 0.28 0.54 -0.61 1.67 3.38 -0.74 0.35 115.31 120.17 2g3b h LEU 181 Ca 0.09 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2g3b h LEU 181 Cb 0.16 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2g3b h LEU 181 CO -0.01 0.31 0.39 1.23 0.09 0.00 0.00 178.44 180.45 2g3b h GLY 182 N 0.67 0.86 0.84 0.83 0.00 -0.47 0.14 103.07 105.95 2g3b h GLY 182 Ca 0.37 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.41 2g3b h GLY 182 CO -0.26 0.28 0.05 0.00 0.00 0.00 0.00 176.54 176.61 2g3b h ALA 183 N 1.24 0.19 -0.65 3.60 0.00 -0.34 -1.22 119.26 122.08 2g3b h ALA 183 Ca 0.23 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2g3b h ALA 183 Cb -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2g3b h ALA 183 CO -0.07 -0.38 0.37 0.82 0.00 0.00 0.00 179.25 179.98 2g3b h ILE 184 N 0.13 0.98 -0.55 0.00 2.04 -0.70 -2.08 117.51 117.32 2g3b h ILE 184 Ca 0.08 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2g3b h ILE 184 Cb 0.06 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2g3b h ILE 184 CO -0.09 0.12 0.34 0.44 0.00 0.00 0.00 178.15 178.97 2g3b h ASP 185 N 0.68 0.57 -0.64 1.72 3.32 -0.42 -2.31 116.42 119.34 2g3b h ASP 185 Ca 0.29 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.41 2g3b h ASP 185 Cb 0.17 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 2g3b h ASP 185 CO -0.17 0.40 0.32 0.58 -1.72 0.00 0.00 179.24 178.65 2g3b h VAL 186 N 0.69 0.90 0.00 -1.35 2.07 -0.92 -1.12 116.25 116.51 2g3b h VAL 186 Ca 0.21 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2g3b h VAL 186 Cb -0.02 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2g3b h VAL 186 CO -0.08 0.10 0.00 0.52 0.02 0.00 0.00 177.57 178.14 2g3b n VAL 187 N -4.87 0.47 0.00 2.57 0.31 -0.81 -5.11 118.33 110.89 2g3b n VAL 187 Ca 0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2g3b n VAL 187 Cb 0.21 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 2g3b n VAL 187 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97