#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3r n GLY 2 N 0.00 0.88 3.58 3.03 0.00 -0.90 -4.84 105.19 106.94 1g3r n GLY 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1g3r n GLY 2 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3r s ARG 3 N 0.00 3.73 -0.52 1.61 0.52 -0.56 -4.94 118.95 118.79 1g3r s ARG 3 Ca 0.00 0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 55.12 1g3r s ARG 3 Cb 0.00 -3.78 0.10 0.00 0.52 0.00 0.00 34.95 31.79 1g3r s ARG 3 CO 0.00 -0.66 0.49 0.42 0.02 0.00 0.00 175.30 175.57 1g3r s ILE 4 N 2.61 5.16 -0.13 1.52 1.01 -1.26 -1.13 121.20 128.97 1g3r s ILE 4 Ca 0.23 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 1g3r s ILE 4 Cb -0.15 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1g3r s ILE 4 CO 0.14 -0.79 0.10 -0.63 0.00 0.00 0.00 174.94 173.76 1g3r s ILE 5 N 1.79 5.17 -0.27 2.92 1.01 -0.37 -1.05 121.20 130.41 1g3r s ILE 5 Ca 0.05 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 1g3r s ILE 5 Cb -0.27 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1g3r s ILE 5 CO 0.05 0.57 0.13 -0.44 0.00 0.00 0.00 174.94 175.25 1g3r s SER 6 N -0.62 5.55 -0.45 3.58 0.01 0.08 -1.35 113.70 120.50 1g3r s SER 6 Ca 0.12 -0.14 -0.25 0.00 1.31 0.00 0.00 55.95 57.00 1g3r s SER 6 Cb -0.12 -2.02 0.03 0.00 0.21 0.00 0.00 66.02 64.12 1g3r s SER 6 CO 0.02 -0.05 0.88 -0.63 0.41 0.00 0.00 173.24 173.87 1g3r s ILE 7 N 1.68 4.53 0.20 1.44 -1.09 0.46 -1.04 121.20 127.38 1g3r s ILE 7 Ca 0.07 0.67 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 1g3r s ILE 7 Cb -0.16 -4.39 -0.05 0.00 -1.58 0.00 0.00 42.46 36.28 1g3r s ILE 7 CO 0.07 -0.78 0.02 0.68 -1.23 0.00 0.00 174.94 173.69 1g3r s VAL 8 N 3.60 0.72 -0.04 2.92 -7.23 -0.80 -1.95 120.40 117.62 1g3r s VAL 8 Ca 0.35 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 1g3r s VAL 8 Cb -0.11 -2.24 0.06 0.00 0.56 0.00 0.00 36.38 34.65 1g3r s VAL 8 CO 0.25 -0.37 0.60 -0.55 -0.31 0.00 0.00 175.10 174.72 1g3r s SER 9 N -3.22 -0.56 0.34 4.85 0.15 -1.26 0.18 113.70 114.19 1g3r s SER 9 Ca 0.27 0.57 0.23 0.00 0.70 0.00 0.00 55.95 57.72 1g3r s SER 9 Cb 0.06 0.49 0.31 0.00 -1.71 0.00 0.00 66.02 65.18 1g3r s SER 9 CO 0.06 -0.58 1.48 1.23 1.20 0.00 0.00 173.24 176.63 1g3r h GLY 10 N 3.16 0.00 0.00 9.45 0.00 -1.83 -3.37 103.07 110.48 1g3r h GLY 10 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1g3r h GLY 10 CO 0.39 0.00 -0.15 1.17 0.00 0.00 0.00 176.54 177.96 1g3r n LYS 11 N -2.85 0.08 0.00 4.80 4.81 -1.26 -4.39 118.16 119.35 1g3r n LYS 11 Ca 0.03 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1g3r n LYS 11 Cb 0.52 -0.50 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1g3r n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g3r n GLY 12 N 2.19 3.63 2.58 3.14 0.00 -1.26 -4.73 105.19 110.73 1g3r n GLY 12 Ca -0.02 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 1g3r n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3r n GLY 13 N -1.40 0.48 0.12 -0.02 0.00 -1.26 -4.84 105.19 98.28 1g3r n GLY 13 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1g3r n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1g3r h THR 14 N 0.00 0.62 0.00 2.61 1.35 -1.94 -3.49 112.91 112.07 1g3r h THR 14 Ca -0.07 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1g3r h THR 14 Cb 0.70 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1g3r h THR 14 CO 0.10 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1g3r n GLY 15 N 1.28 1.97 0.18 5.82 0.00 -1.26 -4.77 105.19 108.41 1g3r n GLY 15 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 1g3r n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3r h LYS 16 N 0.00 0.54 -0.52 1.61 1.57 -1.94 -0.51 116.57 117.32 1g3r h LYS 16 Ca 0.00 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1g3r h LYS 16 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1g3r h LYS 16 CO 0.00 0.36 0.03 1.15 -0.57 0.00 0.00 179.45 180.42 1g3r h THR 17 N 0.56 1.25 -0.18 -0.16 2.02 -1.94 0.60 112.91 115.06 1g3r h THR 17 Ca 0.16 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1g3r h THR 17 Cb -0.05 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1g3r h THR 17 CO -0.05 0.36 0.06 0.74 0.37 0.00 0.00 175.52 177.00 1g3r h THR 18 N 0.81 1.18 0.27 3.16 2.02 -1.89 -1.04 112.91 117.43 1g3r h THR 18 Ca 0.16 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1g3r h THR 18 Cb 0.44 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1g3r h THR 18 CO 0.02 0.18 -0.13 0.58 0.37 0.00 0.00 175.52 176.53 1g3r h VAL 19 N 0.11 0.73 -0.42 3.16 2.07 -0.84 0.99 116.25 122.05 1g3r h VAL 19 Ca 0.06 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1g3r h VAL 19 Cb 0.22 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 1g3r h VAL 19 CO -0.00 0.00 -0.19 0.74 0.02 0.00 0.00 177.57 178.14 1g3r h THR 20 N -0.37 0.42 0.06 2.57 2.02 -0.78 0.25 112.91 117.08 1g3r h THR 20 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1g3r h THR 20 Cb 0.29 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1g3r h THR 20 CO 0.06 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.92 1g3r h ALA 21 N 1.21 -0.08 -0.49 6.16 0.00 -0.97 -0.81 119.26 124.27 1g3r h ALA 21 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1g3r h ALA 21 Cb 0.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1g3r h ALA 21 CO -0.49 -0.41 0.12 -0.91 0.00 0.00 0.00 179.25 177.56 1g3r h ASN 22 N -0.37 0.74 -0.23 0.00 4.21 -0.58 -1.51 115.58 117.84 1g3r h ASN 22 Ca -0.01 -0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.27 1g3r h ASN 22 Cb 0.32 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 1g3r h ASN 22 CO 0.01 0.78 0.14 0.25 -1.29 0.00 0.00 177.43 177.33 1g3r h LEU 23 N 0.67 0.28 0.10 1.61 5.85 -0.54 0.89 115.31 124.17 1g3r h LEU 23 Ca 0.15 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1g3r h LEU 23 Cb 0.33 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1g3r h LEU 23 CO 0.00 0.25 -0.34 0.28 -0.34 0.00 0.00 178.44 178.29 1g3r h SER 24 N 0.29 -1.00 -0.88 1.25 0.02 -0.97 0.14 113.55 112.40 1g3r h SER 24 Ca 0.08 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1g3r h SER 24 Cb 0.02 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1g3r h SER 24 CO -0.02 -0.42 0.57 0.58 -1.14 0.00 0.00 176.83 176.40 1g3r h VAL 25 N -0.56 1.09 -0.18 2.27 2.07 -1.12 0.32 116.25 120.13 1g3r h VAL 25 Ca 0.03 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1g3r h VAL 25 Cb 0.60 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1g3r h VAL 25 CO -0.21 0.19 0.05 0.00 0.02 0.00 0.00 177.57 177.62 1g3r h ALA 26 N 1.51 0.24 -0.51 1.67 0.00 0.13 -0.15 119.26 122.16 1g3r h ALA 26 Ca 0.37 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1g3r h ALA 26 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1g3r h ALA 26 CO -0.13 -0.14 0.10 -0.07 0.00 0.00 0.00 179.25 179.01 1g3r h LEU 27 N 0.11 0.79 -1.82 0.00 3.38 -0.33 -2.10 115.31 115.35 1g3r h LEU 27 Ca 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1g3r h LEU 27 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1g3r h LEU 27 CO -0.00 0.84 -0.14 1.23 0.09 0.00 0.00 178.44 180.46 1g3r h GLY 28 N 0.71 0.00 2.00 0.83 0.00 -0.84 -0.13 103.07 105.65 1g3r h GLY 28 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1g3r h GLY 28 CO 0.01 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 174.75 1g3r h ASP 29 N 0.00 0.00 -0.88 0.19 3.58 -0.32 -2.75 116.42 116.24 1g3r h ASP 29 Ca -0.00 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.00 1g3r h ASP 29 Cb 0.35 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.13 1g3r h ASP 29 CO 0.02 0.00 0.51 0.54 -2.88 0.00 0.00 179.24 177.43 1g3r n ARG 30 N -2.88 2.21 -0.99 0.28 1.74 -0.11 -4.90 116.66 112.00 1g3r n ARG 30 Ca 0.02 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.06 1g3r n ARG 30 Cb 0.36 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1g3r n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1g3r n GLY 31 N -1.12 0.39 3.72 -0.13 0.00 -1.04 -5.01 105.19 101.99 1g3r n GLY 31 Ca 0.55 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 1g3r n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3r s ARG 32 N -0.53 4.35 -0.18 1.61 1.81 -0.91 -5.01 118.95 120.09 1g3r s ARG 32 Ca 0.00 0.53 -0.29 0.00 -1.72 0.00 0.00 55.73 54.25 1g3r s ARG 32 Cb 0.00 -3.43 -0.01 0.00 -0.45 0.00 0.00 34.95 31.06 1g3r s ARG 32 CO 0.00 0.16 1.22 0.21 -0.68 0.00 0.00 175.30 176.21 1g3r s LYS 33 N 0.59 4.23 0.06 3.54 2.20 -1.26 -3.75 119.74 125.35 1g3r s LYS 33 Ca 0.28 1.59 0.07 0.00 -0.36 0.00 0.00 55.97 57.55 1g3r s LYS 33 Cb -0.16 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1g3r s LYS 33 CO 0.12 -0.70 -0.20 0.08 -0.36 0.00 0.00 175.35 174.30 1g3r s VAL 34 N 3.45 1.59 -0.23 4.02 1.01 0.17 -1.03 120.40 129.37 1g3r s VAL 34 Ca 0.52 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1g3r s VAL 34 Cb -0.20 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.82 1g3r s VAL 34 CO 0.13 0.10 -0.13 -0.22 0.00 0.00 0.00 175.10 174.98 1g3r s LEU 35 N -1.37 2.95 -0.24 3.92 2.96 -0.30 0.08 118.68 126.68 1g3r s LEU 35 Ca 0.06 -1.15 -0.21 0.00 -0.22 0.00 0.00 54.13 52.61 1g3r s LEU 35 Cb -0.09 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1g3r s LEU 35 CO 0.02 -0.14 0.67 0.00 -1.32 0.00 0.00 176.35 175.58 1g3r s ALA 36 N 1.20 3.60 -0.13 5.97 0.00 0.18 -1.25 121.76 131.34 1g3r s ALA 36 Ca -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1g3r s ALA 36 Cb -0.18 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1g3r s ALA 36 CO -0.07 -0.77 -0.09 0.08 0.00 0.00 0.00 175.76 174.90 1g3r s VAL 37 N 2.43 3.44 -0.59 0.00 1.01 0.03 -0.21 120.40 126.52 1g3r s VAL 37 Ca 0.28 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1g3r s VAL 37 Cb -0.16 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.84 1g3r s VAL 37 CO 0.09 0.53 0.79 -0.62 0.00 0.00 0.00 175.10 175.89 1g3r s ASP 38 N 0.15 6.21 0.00 3.32 -1.08 -0.93 -0.50 116.67 123.83 1g3r s ASP 38 Ca -0.04 -1.06 0.23 0.00 -0.52 0.00 0.00 52.55 51.16 1g3r s ASP 38 Cb -0.14 -2.35 0.68 0.00 -1.46 0.00 0.00 42.92 39.65 1g3r s ASP 38 CO 0.04 -1.18 1.53 0.61 0.52 0.00 0.00 175.17 176.69 1g3r n GLY 39 N 5.25 0.59 3.45 2.66 0.00 0.34 -4.63 105.19 112.86 1g3r n GLY 39 Ca -0.06 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1g3r n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g3r s ASP 40 N -1.71 7.05 0.47 1.61 -1.08 -1.18 -4.44 116.67 117.40 1g3r s ASP 40 Ca 0.34 -2.95 0.13 0.00 -0.52 0.00 0.00 52.55 49.55 1g3r s ASP 40 Cb 0.20 -2.38 1.09 0.00 -1.46 0.00 0.00 42.92 40.37 1g3r s ASP 40 CO 0.29 -0.73 2.09 -0.07 0.52 0.00 0.00 175.17 177.27 1g3r h LEU 41 N 9.47 0.15 -0.34 -1.34 3.38 -1.93 -2.72 115.31 121.97 1g3r h LEU 41 Ca 0.28 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 1g3r h LEU 41 Cb 0.89 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1g3r h LEU 41 CO 1.20 0.14 -0.83 0.74 0.09 0.00 0.00 178.44 179.78 1g3r h THR 42 N 0.17 1.59 -2.04 0.22 2.02 -1.93 -3.39 112.91 109.54 1g3r h THR 42 Ca 0.04 -2.81 -0.55 0.00 0.77 0.00 0.00 66.41 63.86 1g3r h THR 42 Cb 0.04 2.52 -0.38 0.00 -1.74 0.00 0.00 68.15 68.60 1g3r h THR 42 CO -0.00 0.80 -1.04 0.23 0.37 0.00 0.00 175.52 175.88 1g3r n MET 43 N -3.57 0.54 -1.64 6.66 2.81 -1.08 -5.06 117.12 115.78 1g3r n MET 43 Ca -0.01 -3.14 -0.43 0.00 -1.81 0.00 0.00 57.70 52.31 1g3r n MET 43 Cb 0.79 -1.36 -0.01 0.00 -0.71 0.00 0.00 33.22 31.93 1g3r n MET 43 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1g3r n ALA 44 N 1.88 0.51 0.00 3.04 0.00 -1.05 -4.81 120.51 120.08 1g3r n ALA 44 Ca 0.23 0.34 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1g3r n ALA 44 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1g3r n ALA 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1g3r n ASN 45 N 0.86 0.00 -0.19 0.00 5.15 -1.26 -4.97 115.26 114.85 1g3r n ASN 45 Ca 0.07 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1g3r n ASN 45 Cb 0.35 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.68 1g3r n ASN 45 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1g3r h LEU 46 N 0.00 -0.31 -1.22 1.20 5.85 -1.95 -2.00 115.31 116.88 1g3r h LEU 46 Ca 0.00 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1g3r h LEU 46 Cb 0.00 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1g3r h LEU 46 CO 0.00 -0.12 0.15 -1.28 -0.34 0.00 0.00 178.44 176.85 1g3r h SER 47 N 0.09 0.63 -0.23 1.25 0.87 -1.93 -2.02 113.55 112.22 1g3r h SER 47 Ca 0.29 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1g3r h SER 47 Cb 0.46 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1g3r h SER 47 CO -0.51 0.61 0.05 0.25 -0.53 0.00 0.00 176.83 176.70 1g3r h LEU 48 N 0.68 0.36 -2.45 2.23 6.46 -1.53 0.69 115.31 121.75 1g3r h LEU 48 Ca 0.16 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1g3r h LEU 48 Cb 0.20 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1g3r h LEU 48 CO -0.01 0.51 0.00 0.58 -0.62 0.00 0.00 178.44 178.90 1g3r h VAL 49 N 0.19 0.00 -0.67 1.05 2.07 -1.05 -0.37 116.25 117.46 1g3r h VAL 49 Ca 0.07 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1g3r h VAL 49 Cb 0.29 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1g3r h VAL 49 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1g3r n LEU 50 N -3.02 4.43 -0.00 2.57 4.77 -0.77 -3.83 117.00 121.14 1g3r n LEU 50 Ca -0.02 -2.27 -0.00 0.00 -0.03 0.00 0.00 56.01 53.69 1g3r n LEU 50 Cb 0.14 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1g3r n LEU 50 CO 0.21 0.88 -0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1g3r n GLY 51 N 1.30 0.36 3.30 -0.72 0.00 -0.15 -4.59 105.19 104.69 1g3r n GLY 51 Ca 0.25 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 1g3r n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3r s VAL 52 N -1.72 5.29 0.00 1.61 1.01 0.17 -4.93 120.40 121.83 1g3r s VAL 52 Ca 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 61.98 59.65 1g3r s VAL 52 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1g3r s VAL 52 CO 0.00 -0.97 0.93 0.44 0.00 0.00 0.00 175.10 175.50 1g3r h ASP 53 N 7.94 -0.09 -2.21 3.32 3.32 -1.90 -3.36 116.42 123.45 1g3r h ASP 53 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.46 1g3r h ASP 53 Cb 1.04 0.02 -0.42 0.00 0.22 0.00 0.00 39.33 40.20 1g3r h ASP 53 CO 0.81 -0.06 -0.62 -0.67 -1.72 0.00 0.00 179.24 176.98 1g3r n ASP 54 N -2.30 3.83 -4.75 6.45 2.03 -1.26 -4.92 116.55 115.63 1g3r n ASP 54 Ca -0.01 -3.48 -0.41 0.00 0.52 0.00 0.00 54.79 51.40 1g3r n ASP 54 Cb 0.04 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.77 1g3r n ASP 54 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1g3r s PRO 55 N -2.70 4.34 0.10 -0.67 0.04 -1.26 -4.94 135.00 129.91 1g3r s PRO 55 Ca 0.42 2.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.56 1g3r s PRO 55 Cb 0.18 -3.11 -0.16 0.00 0.04 0.00 0.00 34.50 31.45 1g3r s PRO 55 CO -0.05 -0.28 1.26 -0.44 0.04 0.00 0.00 177.00 177.54 1g3r h ASP 56 N 4.36 0.81 -3.35 6.66 5.19 -1.98 -3.44 116.42 124.67 1g3r h ASP 56 Ca -0.47 -0.61 -0.65 0.00 -0.62 0.00 0.00 57.03 54.68 1g3r h ASP 56 Cb 1.22 -0.25 -0.23 0.00 0.18 0.00 0.00 39.33 40.25 1g3r h ASP 56 CO 0.72 1.41 -0.71 -0.69 -3.12 0.00 0.00 179.24 176.86 1g3r s VAL 57 N -3.42 3.56 0.34 -1.35 1.01 -1.26 -5.06 120.40 114.22 1g3r s VAL 57 Ca -0.09 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1g3r s VAL 57 Cb 0.08 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1g3r s VAL 57 CO 0.90 0.52 0.11 0.42 0.00 0.00 0.00 175.10 177.05 1g3r s THR 58 N 0.23 0.72 0.30 3.92 -4.23 -1.26 -4.68 115.64 110.64 1g3r s THR 58 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1g3r s THR 58 Cb -0.14 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.44 1g3r s THR 58 CO 0.04 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.21 1g3r h LEU 59 N 2.05 0.87 -1.09 4.79 5.85 -0.57 -0.80 115.31 126.40 1g3r h LEU 59 Ca -0.37 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1g3r h LEU 59 Cb 1.26 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 1g3r h LEU 59 CO 0.60 0.46 0.62 0.45 -0.34 0.00 0.00 178.44 180.23 1g3r h HIS 60 N 0.93 1.13 -0.72 1.25 3.86 -1.92 0.96 115.15 120.64 1g3r h HIS 60 Ca 0.48 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.69 1g3r h HIS 60 Cb 0.53 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1g3r h HIS 60 CO -0.00 0.63 0.33 -0.44 0.86 0.00 0.00 177.93 179.31 1g3r h ASP 61 N 1.15 0.95 -0.13 2.45 3.32 -1.51 -2.14 116.42 120.52 1g3r h ASP 61 Ca 0.38 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1g3r h ASP 61 Cb 0.07 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1g3r h ASP 61 CO -0.13 0.83 -0.01 0.58 -1.72 0.00 0.00 179.24 178.80 1g3r h VAL 62 N 1.01 1.26 0.00 -1.35 2.07 -1.02 0.89 116.25 119.11 1g3r h VAL 62 Ca 0.24 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1g3r h VAL 62 Cb 0.15 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1g3r h VAL 62 CO -0.03 0.25 0.00 0.18 0.02 0.00 0.00 177.57 177.99 1g3r n LEU 63 N -4.77 0.00 -0.97 2.57 4.77 0.22 -0.73 117.00 118.10 1g3r n LEU 63 Ca -0.06 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.44 1g3r n LEU 63 Cb 0.22 -0.42 0.17 0.00 -2.33 0.00 0.00 43.42 41.06 1g3r n LEU 63 CO 0.36 -0.30 0.64 0.00 -1.33 0.00 0.00 177.39 176.76 1g3r n ALA 64 N -1.42 2.41 -1.68 -1.18 0.00 -0.82 -1.98 120.51 115.84 1g3r n ALA 64 Ca 0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.44 1g3r n ALA 64 Cb 0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1g3r n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g3r n GLY 65 N 1.24 0.73 0.05 0.00 0.00 0.09 -4.90 105.19 102.39 1g3r n GLY 65 Ca 0.16 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.79 1g3r n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g3r n GLU 66 N -2.45 0.65 -3.78 1.61 -0.58 0.27 -5.00 120.64 111.36 1g3r n GLU 66 Ca -0.12 -0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.42 1g3r n GLU 66 Cb 0.47 -1.60 -0.08 0.00 -0.57 0.00 0.00 31.44 29.66 1g3r n GLU 66 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g3r s ALA 67 N -3.31 -0.57 0.08 0.62 0.00 -1.14 -4.93 121.76 112.51 1g3r s ALA 67 Ca -0.07 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 1g3r s ALA 67 Cb 0.12 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1g3r s ALA 67 CO 0.87 -0.41 0.90 -0.80 0.00 0.00 0.00 175.76 176.32 1g3r s ASN 68 N -2.13 7.39 0.60 0.00 0.01 -1.26 -4.23 114.94 115.32 1g3r s ASN 68 Ca -0.04 1.67 0.29 0.00 -0.71 0.00 0.00 52.86 54.06 1g3r s ASN 68 Cb -0.01 -2.55 1.44 0.00 0.41 0.00 0.00 41.25 40.55 1g3r s ASN 68 CO -0.04 -0.05 1.85 1.62 -1.51 0.00 0.00 177.10 178.96 1g3r h VAL 69 N 4.12 0.30 0.00 1.60 3.04 -1.96 0.10 116.25 123.45 1g3r h VAL 69 Ca -0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.24 1g3r h VAL 69 Cb 1.21 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1g3r h VAL 69 CO 0.72 0.00 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.87 1g3r h GLU 70 N 0.00 0.00 -0.30 4.17 3.07 -1.99 -1.53 114.58 118.00 1g3r h GLU 70 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1g3r h GLU 70 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1g3r h GLU 70 CO -0.00 0.08 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 1g3r n ASP 71 N -3.83 2.12 -0.63 1.42 8.00 0.35 -3.67 116.55 120.31 1g3r n ASP 71 Ca -0.02 -1.87 0.06 0.00 0.71 0.00 0.00 54.79 53.67 1g3r n ASP 71 Cb 0.17 -0.20 0.17 0.00 -0.02 0.00 0.00 41.12 41.24 1g3r n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g3r n ALA 72 N 0.63 2.38 -2.97 2.24 0.00 -0.58 -4.66 120.51 117.56 1g3r n ALA 72 Ca 0.16 -1.48 -0.36 0.00 0.00 0.00 0.00 53.44 51.75 1g3r n ALA 72 Cb 0.37 -0.47 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 1g3r n ALA 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1g3r s ILE 73 N -1.54 4.48 0.22 0.00 1.01 -1.24 -3.97 121.20 120.16 1g3r s ILE 73 Ca 0.26 -0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.91 1g3r s ILE 73 Cb 0.17 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1g3r s ILE 73 CO 0.12 0.34 -0.20 -0.31 0.00 0.00 0.00 174.94 174.90 1g3r s TYR 74 N 1.47 2.36 0.51 3.97 1.51 -0.47 -4.96 117.35 121.75 1g3r s TYR 74 Ca 0.06 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1g3r s TYR 74 Cb -0.15 -1.12 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 1g3r s TYR 74 CO 0.04 0.57 0.90 0.00 -1.11 0.00 0.00 175.55 175.96 1g3r s MET 75 N -2.99 3.71 0.36 -0.62 0.23 -1.26 -1.31 119.30 117.42 1g3r s MET 75 Ca 0.25 0.60 0.06 0.00 -1.03 0.00 0.00 55.69 55.57 1g3r s MET 75 Cb -0.07 -2.23 -0.07 0.00 -1.53 0.00 0.00 34.83 30.93 1g3r s MET 75 CO 0.13 -0.29 0.02 0.95 -2.03 0.00 0.00 175.02 173.79 1g3r s THR 76 N -2.76 1.63 -1.07 3.16 -4.23 -1.14 -4.80 115.64 106.43 1g3r s THR 76 Ca 0.53 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 1g3r s THR 76 Cb -0.10 -2.85 0.08 0.00 1.34 0.00 0.00 72.50 70.97 1g3r s THR 76 CO 0.41 -0.04 1.24 0.00 -0.54 0.00 0.00 174.62 175.70 1g3r n GLN 77 N -0.80 0.02 -3.75 3.99 10.64 -1.26 -4.69 117.38 121.52 1g3r n GLN 77 Ca -0.04 0.34 -0.35 0.00 -1.83 0.00 0.00 57.00 55.11 1g3r n GLN 77 Cb 0.66 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.49 1g3r n GLN 77 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1g3r s PHE 78 N -2.93 3.60 0.23 2.61 0.08 -1.26 -5.05 117.98 115.26 1g3r s PHE 78 Ca 0.05 0.61 -0.31 0.00 0.12 0.00 0.00 56.93 57.40 1g3r s PHE 78 Cb 0.05 -2.01 -0.11 0.00 -0.57 0.00 0.00 43.02 40.38 1g3r s PHE 78 CO 0.14 0.63 1.55 -0.51 -0.10 0.00 0.00 175.22 176.94 1g3r s ASP 79 N -1.54 6.53 -0.21 1.36 1.11 -1.26 -2.59 116.67 120.07 1g3r s ASP 79 Ca 0.25 2.75 0.00 0.00 0.18 0.00 0.00 52.55 55.74 1g3r s ASP 79 Cb -0.13 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.24 1g3r s ASP 79 CO 0.14 -0.82 0.00 0.59 1.18 0.00 0.00 175.17 176.26 1g3r n ASN 80 N 2.90 -5.87 -4.27 0.27 3.02 -1.26 -4.37 115.26 105.68 1g3r n ASN 80 Ca 0.10 0.05 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 1g3r n ASN 80 Cb 0.38 -3.55 -0.13 0.00 -0.61 0.00 0.00 39.78 35.88 1g3r n ASN 80 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g3r s VAL 81 N -1.19 3.55 0.27 2.41 1.01 -1.07 0.41 120.40 125.79 1g3r s VAL 81 Ca 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.11 1g3r s VAL 81 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1g3r s VAL 81 CO 0.00 0.02 -0.00 -0.31 0.00 0.00 0.00 175.10 174.81 1g3r s TYR 82 N 1.40 2.70 0.01 5.22 1.51 0.11 -2.89 117.35 125.42 1g3r s TYR 82 Ca -0.00 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 1g3r s TYR 82 Cb -0.18 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1g3r s TYR 82 CO 0.01 0.62 -0.13 0.54 -1.11 0.00 0.00 175.55 175.47 1g3r s VAL 83 N -2.32 1.04 -0.68 0.71 0.11 -0.43 0.51 120.40 119.34 1g3r s VAL 83 Ca 0.31 -0.73 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1g3r s VAL 83 Cb -0.06 -0.90 0.18 0.00 -1.53 0.00 0.00 36.38 34.06 1g3r s VAL 83 CO 0.20 0.16 0.52 -0.22 -3.33 0.00 0.00 175.10 172.43 1g3r s LEU 84 N -0.65 5.46 0.73 2.54 2.96 0.71 -1.37 118.68 129.06 1g3r s LEU 84 Ca 0.03 -2.95 -0.12 0.00 -0.22 0.00 0.00 54.13 50.88 1g3r s LEU 84 Cb -0.06 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.76 1g3r s LEU 84 CO 0.00 -0.37 1.10 -2.16 -1.32 0.00 0.00 176.35 173.60 1g3r s PRO 85 N -0.20 2.44 0.05 0.98 0.04 -1.25 -2.20 135.00 134.86 1g3r s PRO 85 Ca 0.18 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.54 1g3r s PRO 85 Cb -0.18 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1g3r s PRO 85 CO -0.05 -1.51 -0.23 0.20 0.04 0.00 0.00 177.00 175.46 1g3r s GLY 86 N -3.14 1.48 0.81 0.56 0.00 -1.26 0.18 107.32 105.94 1g3r s GLY 86 Ca 0.63 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.99 1g3r s GLY 86 CO 0.51 -1.14 1.10 0.00 0.00 0.00 0.00 173.10 173.57 1g3r s ALA 87 N -0.87 2.18 -0.04 3.20 0.00 -1.26 -4.83 121.76 120.16 1g3r s ALA 87 Ca 0.13 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1g3r s ALA 87 Cb -0.10 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 1g3r s ALA 87 CO 0.04 -1.78 0.04 1.33 0.00 0.00 0.00 175.76 175.38 1g3r n VAL 88 N -3.48 0.23 -1.77 0.00 0.24 -1.26 -4.37 118.33 107.93 1g3r n VAL 88 Ca 0.07 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.34 61.80 1g3r n VAL 88 Cb 0.56 -0.59 0.02 0.00 -1.47 0.00 0.00 33.84 32.36 1g3r n VAL 88 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1g3r s ASP 89 N -3.32 5.79 0.14 -1.34 1.47 -1.26 -4.86 116.67 113.29 1g3r s ASP 89 Ca -0.02 2.93 -0.20 0.00 1.18 0.00 0.00 52.55 56.44 1g3r s ASP 89 Cb 0.02 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 1g3r s ASP 89 CO 0.18 -1.23 1.68 -0.25 0.68 0.00 0.00 175.17 176.23 1g3r h TRP 90 N 2.23 -0.27 -0.80 2.11 -0.00 -1.98 -2.58 115.95 114.66 1g3r h TRP 90 Ca -0.51 0.02 0.19 0.00 -0.00 0.00 0.00 58.89 58.59 1g3r h TRP 90 Cb 1.27 0.15 -0.14 0.00 -0.00 0.00 0.00 29.16 30.45 1g3r h TRP 90 CO 0.49 -0.17 0.05 1.49 -0.00 0.00 0.00 178.44 180.30 1g3r h GLU 91 N -0.09 0.12 -0.37 2.65 4.57 -2.00 0.22 114.58 119.67 1g3r h GLU 91 Ca 0.12 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1g3r h GLU 91 Cb 0.27 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1g3r h GLU 91 CO -0.27 0.08 0.23 0.45 -1.18 0.00 0.00 179.01 178.32 1g3r h HIS 92 N 0.12 0.44 -0.73 0.92 3.86 -1.84 -1.90 115.15 116.01 1g3r h HIS 92 Ca 0.45 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.80 1g3r h HIS 92 Cb 0.83 -0.15 -0.09 0.00 1.06 0.00 0.00 27.41 29.06 1g3r h HIS 92 CO -0.40 0.27 0.30 0.28 0.86 0.00 0.00 177.93 179.24 1g3r h VAL 93 N 0.48 0.69 0.15 2.45 2.07 -0.40 -2.17 116.25 119.51 1g3r h VAL 93 Ca 0.14 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1g3r h VAL 93 Cb -0.03 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1g3r h VAL 93 CO -0.04 0.08 -0.07 -0.07 0.02 0.00 0.00 177.57 177.49 1g3r h LEU 94 N 0.46 -0.17 0.00 2.57 4.07 -0.69 -3.16 115.31 118.38 1g3r h LEU 94 Ca 0.40 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1g3r h LEU 94 Cb 0.57 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1g3r h LEU 94 CO -0.38 0.08 0.00 0.29 -1.08 0.00 0.00 178.44 177.35 1g3r n LYS 95 N -5.08 0.86 -3.18 1.13 5.02 -0.77 -4.68 118.16 111.47 1g3r n LYS 95 Ca -0.09 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.77 1g3r n LYS 95 Cb 0.18 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1g3r n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g3r s ALA 96 N -2.00 3.39 -0.58 7.82 0.00 -0.84 -3.85 121.76 125.70 1g3r s ALA 96 Ca 0.29 -1.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.33 1g3r s ALA 96 Cb 0.13 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1g3r s ALA 96 CO 0.23 -1.92 1.50 0.34 0.00 0.00 0.00 175.76 175.91 1g3r s ASP 97 N 2.48 5.96 0.63 0.00 2.15 -0.84 -4.88 116.67 122.18 1g3r s ASP 97 Ca 0.15 0.26 0.40 0.00 0.43 0.00 0.00 52.55 53.79 1g3r s ASP 97 Cb -0.18 -2.54 2.15 0.00 -0.30 0.00 0.00 42.92 42.05 1g3r s ASP 97 CO 0.13 -1.85 2.30 1.55 -0.17 0.00 0.00 175.17 177.13 1g3r h PRO 98 N 11.74 0.00 0.00 4.34 0.13 -1.95 -2.48 132.00 143.78 1g3r h PRO 98 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1g3r h PRO 98 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1g3r h PRO 98 CO 1.19 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.97 1g3r h ARG 99 N 0.00 0.00 -0.00 0.86 3.08 -1.92 -2.59 114.38 113.80 1g3r h ARG 99 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1g3r h ARG 99 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1g3r h ARG 99 CO 0.00 0.00 -0.24 1.63 -1.07 0.00 0.00 179.97 180.29 1g3r n LYS 100 N -2.89 0.57 -0.09 0.04 5.02 -0.93 -4.33 118.16 115.54 1g3r n LYS 100 Ca 0.01 -0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 55.95 1g3r n LYS 100 Cb 0.26 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1g3r n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1g3r h LEU 101 N 0.69 -0.78 -0.65 -0.35 3.38 -1.63 -1.11 115.31 114.86 1g3r h LEU 101 Ca 0.00 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1g3r h LEU 101 Cb 0.46 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1g3r h LEU 101 CO 0.00 -0.26 0.29 -0.65 0.09 0.00 0.00 178.44 177.90 1g3r h PRO 102 N -0.19 0.49 -0.38 1.13 0.11 -1.77 0.11 132.00 131.49 1g3r h PRO 102 Ca 0.17 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 1g3r h PRO 102 Cb 0.46 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1g3r h PRO 102 CO -0.46 0.32 -0.37 1.05 -0.21 0.00 0.00 178.00 178.34 1g3r h GLU 103 N 0.50 0.89 0.12 1.05 4.11 -1.74 -1.60 114.58 117.91 1g3r h GLU 103 Ca 0.32 -0.45 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1g3r h GLU 103 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1g3r h GLU 103 CO -0.28 1.10 -0.06 0.28 0.07 0.00 0.00 179.01 180.13 1g3r h VAL 104 N 0.73 1.00 -0.32 -1.06 2.07 -0.66 -2.72 116.25 115.29 1g3r h VAL 104 Ca 0.06 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1g3r h VAL 104 Cb 0.95 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1g3r h VAL 104 CO 0.09 0.11 0.04 0.40 0.02 0.00 0.00 177.57 178.23 1g3r h ILE 105 N -0.37 1.24 0.00 4.57 2.04 -0.84 -2.91 117.51 121.23 1g3r h ILE 105 Ca -0.02 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1g3r h ILE 105 Cb 0.30 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1g3r h ILE 105 CO 0.03 0.27 0.00 0.11 0.00 0.00 0.00 178.15 178.56 1g3r h LYS 106 N 0.35 0.00 0.00 2.37 1.57 -1.34 -1.50 116.57 118.03 1g3r h LYS 106 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1g3r h LYS 106 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1g3r h LYS 106 CO 0.01 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.76 1g3r n SER 107 N -3.01 0.00 -0.40 0.86 3.41 -1.03 -1.75 113.62 111.70 1g3r n SER 107 Ca -0.01 -0.68 0.04 0.00 -0.26 0.00 0.00 58.87 57.96 1g3r n SER 107 Cb 0.19 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1g3r n SER 107 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1g3r n LEU 108 N -0.98 2.01 0.30 1.04 4.77 -0.56 -4.68 117.00 118.90 1g3r n LEU 108 Ca 0.15 -1.26 0.18 0.00 -0.03 0.00 0.00 56.01 55.05 1g3r n LEU 108 Cb 0.07 -0.05 0.92 0.00 -2.33 0.00 0.00 43.42 42.03 1g3r n LEU 108 CO 0.12 0.43 1.15 0.50 -1.33 0.00 0.00 177.39 178.26 1g3r h LYS 109 N 1.73 0.00 -0.01 3.23 3.64 -1.45 -2.13 116.57 121.58 1g3r h LYS 109 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1g3r h LYS 109 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1g3r h LYS 109 CO 0.00 0.00 -0.67 -0.40 -2.27 0.00 0.00 179.45 176.11 1g3r n ASP 110 N -3.12 1.60 -1.07 4.20 5.75 -1.26 -3.87 116.55 118.78 1g3r n ASP 110 Ca -0.01 -1.30 0.11 0.00 -0.01 0.00 0.00 54.79 53.58 1g3r n ASP 110 Cb 0.31 0.69 0.19 0.00 -1.03 0.00 0.00 41.12 41.28 1g3r n ASP 110 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1g3r n LYS 111 N -0.61 2.40 -3.80 0.11 5.02 -0.80 -4.89 118.16 115.60 1g3r n LYS 111 Ca 0.07 -2.19 -0.12 0.00 -2.02 0.00 0.00 58.31 54.05 1g3r n LYS 111 Cb 0.41 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1g3r n LYS 111 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1g3r s PHE 112 N -1.44 -0.07 0.10 2.13 0.08 -1.25 -4.98 117.98 112.55 1g3r s PHE 112 Ca 0.36 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.42 1g3r s PHE 112 Cb 0.21 0.04 -0.24 0.00 -0.57 0.00 0.00 43.02 42.46 1g3r s PHE 112 CO 0.29 -0.41 1.20 -0.44 -0.10 0.00 0.00 175.22 175.77 1g3r h ASP 113 N 3.66 0.17 -3.65 1.36 3.32 -1.43 -2.39 116.42 117.46 1g3r h ASP 113 Ca -0.31 -0.18 -0.24 0.00 0.02 0.00 0.00 57.03 56.32 1g3r h ASP 113 Cb 1.19 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.39 1g3r h ASP 113 CO 0.44 1.14 -0.67 -0.36 -1.72 0.00 0.00 179.24 178.07 1g3r s PHE 114 N -2.68 -0.05 -0.26 4.55 0.40 -1.09 -1.49 117.98 117.36 1g3r s PHE 114 Ca -0.01 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1g3r s PHE 114 Cb 0.09 -0.06 0.07 0.00 0.51 0.00 0.00 43.02 43.62 1g3r s PHE 114 CO 0.84 -0.06 -0.06 0.42 0.70 0.00 0.00 175.22 177.07 1g3r s ILE 115 N 0.44 1.86 -0.34 0.64 1.01 -0.28 -1.15 121.20 123.39 1g3r s ILE 115 Ca -0.03 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 58.97 1g3r s ILE 115 Cb -0.05 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1g3r s ILE 115 CO -0.02 -0.15 0.19 -0.76 0.00 0.00 0.00 174.94 174.20 1g3r s LEU 116 N 1.22 4.39 -0.26 2.97 1.43 -0.38 -1.24 118.68 126.81 1g3r s LEU 116 Ca -0.05 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 1g3r s LEU 116 Cb -0.19 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1g3r s LEU 116 CO -0.07 -0.26 0.47 -0.63 0.23 0.00 0.00 176.35 176.10 1g3r s ILE 117 N 1.62 5.10 -0.37 -0.59 1.01 -0.45 -0.79 121.20 126.74 1g3r s ILE 117 Ca 0.04 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.22 1g3r s ILE 117 Cb -0.18 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.52 1g3r s ILE 117 CO 0.07 0.12 0.96 -0.62 0.00 0.00 0.00 174.94 175.46 1g3r s ASP 118 N 1.53 6.71 -0.13 3.58 2.15 0.34 -0.40 116.67 130.45 1g3r s ASP 118 Ca 0.20 0.64 -0.05 0.00 0.43 0.00 0.00 52.55 53.77 1g3r s ASP 118 Cb -0.16 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 1g3r s ASP 118 CO 0.09 -0.88 0.03 0.00 -0.17 0.00 0.00 175.17 174.25 1g3r s PRO 120 N -0.28 4.30 0.58 0.00 0.04 -1.26 -4.74 135.00 133.64 1g3r s PRO 120 Ca 0.07 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 1g3r s PRO 120 Cb -0.12 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1g3r s PRO 120 CO 0.02 -0.14 1.23 0.00 0.04 0.00 0.00 177.00 178.15 1g3r s ALA 121 N -1.28 2.61 0.00 8.56 0.00 -1.26 -4.56 121.76 125.83 1g3r s ALA 121 Ca 0.51 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1g3r s ALA 121 Cb -0.33 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1g3r s ALA 121 CO 0.43 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1g3r n GLY 122 N 0.55 1.55 0.45 0.00 0.00 -1.26 -4.84 105.19 101.64 1g3r n GLY 122 Ca 0.13 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 44.00 1g3r n GLY 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g3r n LEU 123 N 0.00 2.51 -4.58 0.99 4.77 -1.26 -4.48 117.00 114.95 1g3r n LEU 123 Ca 0.00 -1.81 -0.29 0.00 -0.03 0.00 0.00 56.01 53.88 1g3r n LEU 123 Cb 0.00 -0.14 0.22 0.00 -2.33 0.00 0.00 43.42 41.17 1g3r n LEU 123 CO 0.00 0.61 0.59 -1.10 -1.33 0.00 0.00 177.39 176.16 1g3r s GLN 124 N -0.94 -0.75 0.17 3.23 -1.52 -1.26 -4.48 119.66 114.10 1g3r s GLN 124 Ca 0.16 0.30 -0.24 0.00 -1.95 0.00 0.00 55.36 53.63 1g3r s GLN 124 Cb 0.09 -1.62 0.06 0.00 -0.22 0.00 0.00 33.01 31.32 1g3r s GLN 124 CO 0.12 -3.47 1.58 1.25 -0.25 0.00 0.00 175.29 174.52 1g3r h LEU 125 N -2.42 -1.27 0.01 2.90 5.85 -1.98 0.15 115.31 118.54 1g3r h LEU 125 Ca -0.52 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1g3r h LEU 125 Cb 1.32 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 1g3r h LEU 125 CO 0.46 -0.33 -0.00 0.44 -0.34 0.00 0.00 178.44 178.66 1g3r h ASP 126 N -0.24 -0.01 0.28 1.25 5.19 -1.95 0.32 116.42 121.25 1g3r h ASP 126 Ca 0.18 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1g3r h ASP 126 Cb 0.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 1g3r h ASP 126 CO -0.62 -0.01 -0.20 0.00 -3.12 0.00 0.00 179.24 175.30 1g3r h ALA 127 N 0.98 -0.46 -0.34 3.45 0.00 -1.72 -1.73 119.26 119.46 1g3r h ALA 127 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1g3r h ALA 127 Cb 0.01 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1g3r h ALA 127 CO -0.00 -0.77 0.12 0.52 0.00 0.00 0.00 179.25 179.11 1g3r h MET 128 N -0.47 0.26 -0.99 0.00 2.86 -0.61 0.40 114.93 116.38 1g3r h MET 128 Ca -0.02 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.73 1g3r h MET 128 Cb 0.41 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 1g3r h MET 128 CO 0.01 0.17 0.62 0.77 1.06 0.00 0.00 176.91 179.54 1g3r h SER 129 N 0.26 0.87 0.09 1.22 0.02 -0.17 0.41 113.55 116.26 1g3r h SER 129 Ca 0.15 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1g3r h SER 129 Cb 0.12 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1g3r h SER 129 CO -0.15 0.44 -0.05 0.00 -1.14 0.00 0.00 176.83 175.94 1g3r h ALA 130 N 1.56 -0.13 -0.86 3.77 0.00 -0.54 -3.22 119.26 119.85 1g3r h ALA 130 Ca 0.50 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1g3r h ALA 130 Cb 0.57 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1g3r h ALA 130 CO -0.27 -0.24 0.56 0.52 0.00 0.00 0.00 179.25 179.82 1g3r h MET 131 N -0.78 1.10 0.00 0.00 2.86 -0.71 -1.59 114.93 115.81 1g3r h MET 131 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1g3r h MET 131 Cb 0.58 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1g3r h MET 131 CO 0.02 0.73 0.00 1.28 1.06 0.00 0.00 176.91 180.00 1g3r n LEU 132 N -4.51 0.00 0.01 1.22 4.77 0.11 -2.24 117.00 116.36 1g3r n LEU 132 Ca 0.10 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1g3r n LEU 132 Cb 0.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1g3r n LEU 132 CO 0.35 0.00 0.10 -1.20 -1.33 0.00 0.00 177.39 175.32 1g3r n SER 133 N -0.52 0.70 -4.96 -1.43 7.64 -0.60 -4.80 113.62 109.64 1g3r n SER 133 Ca 0.01 -0.51 -0.19 0.00 1.01 0.00 0.00 58.87 59.18 1g3r n SER 133 Cb 0.00 0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 63.92 1g3r n SER 133 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1g3r s GLY 134 N -3.23 1.63 -0.06 0.23 0.00 -0.95 -4.65 107.32 100.30 1g3r s GLY 134 Ca 0.07 -1.50 0.14 0.00 0.00 0.00 0.00 44.72 43.43 1g3r s GLY 134 CO 0.80 -1.42 0.23 1.18 0.00 0.00 0.00 173.10 173.89 1g3r n GLU 135 N -1.59 0.88 -4.37 2.90 1.02 -0.21 -4.81 120.64 114.45 1g3r n GLU 135 Ca -0.00 -0.09 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 1g3r n GLU 135 Cb 0.58 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.55 1g3r n GLU 135 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1g3r s GLU 136 N -2.80 1.40 0.00 3.49 2.02 -0.57 -1.25 118.70 121.00 1g3r s GLU 136 Ca -0.06 -1.57 0.01 0.00 0.02 0.00 0.00 54.97 53.36 1g3r s GLU 136 Cb 0.08 -1.36 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 1g3r s GLU 136 CO 0.59 0.25 -0.02 0.00 0.02 0.00 0.00 175.26 176.11 1g3r s ALA 137 N -2.54 0.16 -0.25 5.21 0.00 -0.76 -0.74 121.76 122.84 1g3r s ALA 137 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1g3r s ALA 137 Cb -0.03 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.11 1g3r s ALA 137 CO 0.09 0.03 -0.12 -1.17 0.00 0.00 0.00 175.76 174.59 1g3r s LEU 138 N -0.13 3.28 -0.01 0.00 2.96 -0.21 -1.32 118.68 123.25 1g3r s LEU 138 Ca -0.00 -1.31 -0.30 0.00 -0.22 0.00 0.00 54.13 52.30 1g3r s LEU 138 Cb -0.01 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1g3r s LEU 138 CO -0.00 -0.17 0.97 -0.76 -1.32 0.00 0.00 176.35 175.07 1g3r s LEU 139 N 1.13 4.36 -0.13 -0.68 1.43 -0.47 -1.90 118.68 122.43 1g3r s LEU 139 Ca -0.07 1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1g3r s LEU 139 Cb -0.19 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1g3r s LEU 139 CO -0.06 -0.27 -0.09 -0.69 0.23 0.00 0.00 176.35 175.47 1g3r s VAL 140 N 1.09 3.44 0.14 -1.59 1.01 0.13 0.44 120.40 125.06 1g3r s VAL 140 Ca 0.51 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1g3r s VAL 140 Cb -0.21 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1g3r s VAL 140 CO 0.27 0.53 0.42 0.28 0.00 0.00 0.00 175.10 176.59 1g3r s THR 141 N 0.13 0.06 0.23 3.92 -1.32 -0.51 -4.39 115.64 113.75 1g3r s THR 141 Ca -0.04 -0.69 0.06 0.00 -1.21 0.00 0.00 61.69 59.80 1g3r s THR 141 Cb -0.14 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1g3r s THR 141 CO 0.04 -0.28 0.28 0.20 -2.21 0.00 0.00 174.62 172.65 1g3r s ASN 142 N -2.83 5.98 0.00 8.08 0.01 -1.26 -0.42 114.94 124.49 1g3r s ASN 142 Ca 0.05 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1g3r s ASN 142 Cb 0.01 -1.67 0.00 0.00 0.41 0.00 0.00 41.25 40.00 1g3r s ASN 142 CO -0.09 -0.04 0.47 -2.65 -1.51 0.00 0.00 177.10 173.28 1g3r n PRO 143 N -1.18 0.43 -3.73 -0.60 -0.02 -1.26 -4.30 135.00 124.34 1g3r n PRO 143 Ca -0.08 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.13 1g3r n PRO 143 Cb 0.57 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.74 1g3r n PRO 143 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1g3r s GLU 144 N 0.62 3.50 -0.12 -0.52 2.02 -1.26 -2.41 118.70 120.52 1g3r s GLU 144 Ca 0.00 -0.42 -0.18 0.00 0.02 0.00 0.00 54.97 54.39 1g3r s GLU 144 Cb 0.00 -2.85 -0.16 0.00 0.10 0.00 0.00 34.13 31.22 1g3r s GLU 144 CO 0.00 0.40 0.51 0.97 0.02 0.00 0.00 175.26 177.16 1g3r h ILE 145 N 1.45 1.11 -0.16 -1.63 6.09 -1.95 -1.54 117.51 120.88 1g3r h ILE 145 Ca -0.49 -1.80 0.05 0.00 -1.37 0.00 0.00 64.86 61.25 1g3r h ILE 145 Cb 1.20 2.09 -0.01 0.00 0.47 0.00 0.00 36.82 40.57 1g3r h ILE 145 CO 0.67 0.37 0.13 0.77 -3.07 0.00 0.00 178.15 177.02 1g3r h SER 146 N -0.99 0.00 0.17 2.19 4.64 -1.96 -1.42 113.55 116.17 1g3r h SER 146 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1g3r h SER 146 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1g3r h SER 146 CO 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.88 1g3r h LEU 148 N -0.92 0.27 0.44 0.00 3.38 -0.77 -1.89 115.31 115.83 1g3r h LEU 148 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1g3r h LEU 148 Cb 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1g3r h LEU 148 CO 0.04 0.13 -0.21 0.71 0.09 0.00 0.00 178.44 179.19 1g3r h THR 149 N 0.28 0.00 -0.21 0.22 1.35 -1.32 -2.77 112.91 110.46 1g3r h THR 149 Ca 0.39 -0.43 0.06 0.00 -0.55 0.00 0.00 66.41 65.87 1g3r h THR 149 Cb 1.09 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.44 1g3r h THR 149 CO -0.10 0.00 -0.26 0.44 -0.25 0.00 0.00 175.52 175.35 1g3r h ASP 150 N -1.03 -0.81 -0.76 5.36 3.32 -1.29 -0.44 116.42 120.76 1g3r h ASP 150 Ca -0.06 0.14 0.18 0.00 0.02 0.00 0.00 57.03 57.30 1g3r h ASP 150 Cb 0.46 0.37 -0.13 0.00 0.22 0.00 0.00 39.33 40.25 1g3r h ASP 150 CO 0.10 -0.29 0.09 0.74 -1.72 0.00 0.00 179.24 178.16 1g3r h THR 151 N -0.28 0.39 -0.64 0.35 2.02 -1.47 0.45 112.91 113.74 1g3r h THR 151 Ca 0.13 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1g3r h THR 151 Cb 0.47 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1g3r h THR 151 CO -0.37 0.03 0.39 -0.03 0.37 0.00 0.00 175.52 175.91 1g3r h MET 152 N 0.17 0.74 0.13 6.66 -1.53 -0.82 -1.27 114.93 119.00 1g3r h MET 152 Ca 0.43 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.65 1g3r h MET 152 Cb 0.77 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.64 1g3r h MET 152 CO -0.61 0.49 -0.26 0.87 0.14 0.00 0.00 176.91 177.54 1g3r h LYS 153 N 0.76 -0.41 -1.42 0.39 1.57 0.10 -0.85 116.57 116.71 1g3r h LYS 153 Ca 0.26 0.03 0.44 0.00 -1.87 0.00 0.00 60.65 59.51 1g3r h LYS 153 Cb 0.04 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.34 1g3r h LYS 153 CO -0.11 -0.27 0.96 0.28 -0.57 0.00 0.00 179.45 179.73 1g3r h VAL 154 N -0.43 0.17 -0.80 0.50 2.07 -0.88 0.46 116.25 117.35 1g3r h VAL 154 Ca -0.01 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1g3r h VAL 154 Cb 0.40 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1g3r h VAL 154 CO -0.11 0.02 0.52 1.23 0.02 0.00 0.00 177.57 179.25 1g3r h GLY 155 N 0.08 1.15 0.75 2.17 0.00 0.05 -2.34 103.07 104.93 1g3r h GLY 155 Ca 0.79 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.62 1g3r h GLY 155 CO -0.26 0.36 -0.36 -2.22 0.00 0.00 0.00 176.54 174.06 1g3r h ILE 156 N 1.03 1.40 -1.00 2.60 2.04 0.07 -0.22 117.51 123.42 1g3r h ILE 156 Ca 0.31 -1.73 0.23 0.00 1.00 0.00 0.00 64.86 64.67 1g3r h ILE 156 Cb -0.03 2.26 -0.10 0.00 -0.74 0.00 0.00 36.82 38.20 1g3r h ILE 156 CO -0.10 0.50 0.63 0.58 0.00 0.00 0.00 178.15 179.76 1g3r h VAL 157 N -0.06 0.61 0.03 1.67 2.07 -1.35 1.01 116.25 120.23 1g3r h VAL 157 Ca -0.02 -0.19 -0.23 0.00 0.82 0.00 0.00 66.70 67.08 1g3r h VAL 157 Cb 1.00 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1g3r h VAL 157 CO 0.08 0.10 -1.10 -0.07 0.02 0.00 0.00 177.57 176.60 1g3r h LEU 158 N 0.55 0.09 -0.33 2.57 3.38 -1.32 -1.89 115.31 118.36 1g3r h LEU 158 Ca 0.58 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.34 1g3r h LEU 158 Cb 1.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1g3r h LEU 158 CO -0.33 1.08 -0.18 0.50 0.09 0.00 0.00 178.44 179.60 1g3r h LYS 159 N 0.02 0.71 -0.45 1.13 3.64 0.16 -0.64 116.57 121.13 1g3r h LYS 159 Ca -0.05 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1g3r h LYS 159 Cb 1.83 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.61 1g3r h LYS 159 CO 0.14 0.92 0.09 0.87 -2.27 0.00 0.00 179.45 179.21 1g3r h LYS 160 N 0.48 0.69 0.00 1.90 1.57 0.77 -1.47 116.57 120.51 1g3r h LYS 160 Ca 0.07 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1g3r h LYS 160 Cb 0.72 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1g3r h LYS 160 CO 0.05 0.64 -0.02 0.00 -0.57 0.00 0.00 179.45 179.56 1g3r h ALA 161 N 1.43 1.04 0.00 3.86 0.00 -0.82 -3.46 119.26 121.32 1g3r h ALA 161 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1g3r h ALA 161 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1g3r h ALA 161 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1g3r n GLY 162 N -0.62 1.00 3.75 0.00 0.00 -0.55 -5.07 105.19 103.70 1g3r n GLY 162 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1g3r n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g3r s LEU 163 N 0.00 4.62 -0.36 0.99 1.02 -0.30 -4.98 118.68 119.67 1g3r s LEU 163 Ca 0.00 1.97 -0.26 0.00 0.02 0.00 0.00 54.13 55.86 1g3r s LEU 163 Cb 0.00 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.62 1g3r s LEU 163 CO 0.00 0.09 0.94 0.00 0.02 0.00 0.00 176.35 177.40 1g3r s ALA 164 N -1.02 3.42 -0.41 4.21 0.00 -0.38 -4.09 121.76 123.49 1g3r s ALA 164 Ca 0.42 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 1g3r s ALA 164 Cb -0.26 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.31 1g3r s ALA 164 CO 0.33 -1.58 1.36 0.42 0.00 0.00 0.00 175.76 176.29 1g3r s ILE 165 N 3.49 3.98 0.16 0.00 -1.09 -1.26 -1.82 121.20 124.66 1g3r s ILE 165 Ca 0.39 1.01 0.15 0.00 -2.23 0.00 0.00 60.65 59.97 1g3r s ILE 165 Cb -0.12 -4.26 0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1g3r s ILE 165 CO 0.18 -0.77 1.63 -0.07 -1.23 0.00 0.00 174.94 174.68 1g3r h LEU 166 N 11.90 0.00 0.00 2.97 3.38 -1.59 -3.48 115.31 128.50 1g3r h LEU 166 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1g3r h LEU 166 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1g3r h LEU 166 CO 1.09 0.52 0.00 0.61 0.09 0.00 0.00 178.44 180.75 1g3r n GLY 167 N 0.43 0.96 3.54 0.83 0.00 -1.26 -4.66 105.19 105.05 1g3r n GLY 167 Ca -0.00 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 1g3r n GLY 167 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1g3r s PHE 168 N -2.21 1.91 -0.09 1.61 -0.00 -0.72 -1.36 117.98 117.13 1g3r s PHE 168 Ca 0.00 -1.07 0.02 0.00 -0.00 0.00 0.00 56.93 55.88 1g3r s PHE 168 Cb 0.00 -1.32 0.01 0.00 -0.00 0.00 0.00 43.02 41.71 1g3r s PHE 168 CO 0.00 -0.05 -0.15 0.08 -0.00 0.00 0.00 175.22 175.10 1g3r s VAL 169 N -3.15 1.40 -0.71 -2.49 1.01 0.17 -1.18 120.40 115.44 1g3r s VAL 169 Ca 0.26 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1g3r s VAL 169 Cb 0.05 -1.26 0.15 0.00 0.00 0.00 0.00 36.38 35.32 1g3r s VAL 169 CO 0.13 0.42 0.76 -0.22 0.00 0.00 0.00 175.10 176.18 1g3r s LEU 170 N 0.74 5.94 0.24 3.92 0.20 -0.49 -1.43 118.68 127.80 1g3r s LEU 170 Ca -0.12 -2.02 -0.07 0.00 0.69 0.00 0.00 54.13 52.61 1g3r s LEU 170 Cb -0.16 -2.27 -0.06 0.00 -0.43 0.00 0.00 46.19 43.27 1g3r s LEU 170 CO 0.03 -0.88 0.53 0.21 -0.29 0.00 0.00 176.35 175.94 1g3r s ASN 171 N 3.14 6.54 0.00 3.68 3.04 0.43 -0.81 114.94 130.96 1g3r s ASN 171 Ca 0.15 0.80 0.00 0.00 0.04 0.00 0.00 52.86 53.85 1g3r s ASN 171 Cb -0.17 -2.18 0.00 0.00 -1.54 0.00 0.00 41.25 37.36 1g3r s ASN 171 CO -0.02 -0.10 0.00 0.54 -3.04 0.00 0.00 177.10 174.48 1g3r n ARG 172 N -0.41 -0.08 -1.57 0.43 5.12 0.15 -4.03 116.66 116.27 1g3r n ARG 172 Ca -0.01 0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.53 1g3r n ARG 172 Cb 0.53 -3.09 0.02 0.00 -1.16 0.00 0.00 32.46 28.76 1g3r n ARG 172 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1g3r n TYR 173 N -2.12 0.59 -1.46 -1.55 9.36 -1.10 -2.43 117.16 118.46 1g3r n TYR 173 Ca 0.00 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.75 1g3r n TYR 173 Cb 0.02 -2.14 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 1g3r n TYR 173 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1g3r n GLY 174 N 1.38 0.43 0.11 2.98 0.00 -1.26 -1.21 105.19 107.62 1g3r n GLY 174 Ca 0.11 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1g3r n GLY 174 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1g3r n ARG 175 N -1.92 0.68 -4.25 1.61 0.63 -1.02 -4.65 116.66 107.75 1g3r n ARG 175 Ca 0.00 0.14 -0.14 0.00 -0.92 0.00 0.00 57.85 56.93 1g3r n ARG 175 Cb 0.25 -1.61 -0.10 0.00 0.45 0.00 0.00 32.46 31.45 1g3r n ARG 175 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1g3r s SER 176 N -6.10 0.89 0.18 6.15 0.15 -1.26 -5.04 113.70 108.66 1g3r s SER 176 Ca -0.16 -1.29 0.08 0.00 0.70 0.00 0.00 55.95 55.28 1g3r s SER 176 Cb 0.07 0.20 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1g3r s SER 176 CO 0.77 -0.70 1.40 0.44 1.20 0.00 0.00 173.24 176.35 1g3r h ASP 177 N 2.60 0.01 -0.44 5.45 3.32 -2.03 -3.20 116.42 122.13 1g3r h ASP 177 Ca -0.37 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.54 1g3r h ASP 177 Cb 1.23 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 1g3r h ASP 177 CO 0.60 0.86 0.17 0.54 -1.72 0.00 0.00 179.24 179.69 1g3r n ARG 178 N -3.52 2.59 -2.83 3.56 5.12 -1.26 -4.92 116.66 115.40 1g3r n ARG 178 Ca -0.01 -1.80 -0.41 0.00 -1.93 0.00 0.00 57.85 53.71 1g3r n ARG 178 Cb 0.82 -1.83 -0.04 0.00 -1.16 0.00 0.00 32.46 30.25 1g3r n ARG 178 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1g3r s ASP 179 N -0.40 7.28 0.11 0.55 1.01 -1.21 -4.94 116.67 119.07 1g3r s ASP 179 Ca 0.32 1.54 -0.31 0.00 0.71 0.00 0.00 52.55 54.81 1g3r s ASP 179 Cb 0.26 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.58 1g3r s ASP 179 CO 0.08 -0.15 1.65 -0.63 0.21 0.00 0.00 175.17 176.32 1g3r s ILE 180 N 0.63 2.83 1.20 0.77 1.01 -1.01 -4.98 121.20 121.65 1g3r s ILE 180 Ca 0.46 0.42 -0.13 0.00 0.00 0.00 0.00 60.65 61.39 1g3r s ILE 180 Cb -0.21 -3.27 0.30 0.00 0.01 0.00 0.00 42.46 39.29 1g3r s ILE 180 CO 0.25 0.01 1.02 -2.16 0.00 0.00 0.00 174.94 174.06 1g3r s PRO 181 N 2.15 -1.18 0.00 2.79 0.04 -1.26 -4.76 135.00 132.78 1g3r s PRO 181 Ca 0.73 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1g3r s PRO 181 Cb -0.42 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1g3r s PRO 181 CO 0.32 -3.88 0.28 -0.35 0.04 0.00 0.00 177.00 173.42 1g3r n PRO 182 N -5.01 0.00 -0.33 0.56 -0.04 -1.26 -1.91 135.00 127.01 1g3r n PRO 182 Ca 0.03 0.04 0.24 0.00 -0.04 0.00 0.00 63.50 63.76 1g3r n PRO 182 Cb 0.55 -0.78 0.47 0.00 -0.04 0.00 0.00 33.50 33.69 1g3r n PRO 182 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1g3r h GLU 183 N 0.00 0.32 0.10 0.54 4.81 -1.98 0.24 114.58 118.61 1g3r h GLU 183 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1g3r h GLU 183 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1g3r h GLU 183 CO 0.00 0.21 -0.16 0.00 -0.73 0.00 0.00 179.01 178.33 1g3r h ALA 184 N 1.85 -0.78 -0.35 2.92 0.00 -1.95 0.17 119.26 121.11 1g3r h ALA 184 Ca 0.73 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.70 1g3r h ALA 184 Cb 1.65 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 1g3r h ALA 184 CO -0.61 -0.81 0.43 0.00 0.00 0.00 0.00 179.25 178.26 1g3r h ALA 185 N -1.37 2.01 0.62 0.00 0.00 -0.29 -2.21 119.26 118.01 1g3r h ALA 185 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1g3r h ALA 185 Cb 0.25 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1g3r h ALA 185 CO -0.05 -0.61 -0.30 1.49 0.00 0.00 0.00 179.25 179.78 1g3r h GLU 186 N 0.00 -0.80 -0.20 0.00 4.81 0.16 -2.04 114.58 116.51 1g3r h GLU 186 Ca 0.17 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1g3r h GLU 186 Cb 1.02 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1g3r h GLU 186 CO -0.00 -0.53 0.00 -0.40 -0.73 0.00 0.00 179.01 177.35 1g3r n ASP 187 N -5.32 0.20 -0.10 1.04 5.68 0.38 -1.85 116.55 116.57 1g3r n ASP 187 Ca -0.10 -0.91 -0.21 0.00 -0.50 0.00 0.00 54.79 53.07 1g3r n ASP 187 Cb 0.33 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.14 1g3r n ASP 187 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1g3r n VAL 188 N -0.17 1.12 0.07 2.12 0.31 -1.06 -4.54 118.33 116.18 1g3r n VAL 188 Ca 0.00 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.07 1g3r n VAL 188 Cb 0.05 -1.80 0.27 0.00 -0.91 0.00 0.00 33.84 31.45 1g3r n VAL 188 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1g3r h MET 189 N -0.72 0.33 -2.75 5.55 2.86 -0.91 -3.47 114.93 115.83 1g3r h MET 189 Ca -0.48 -0.12 -0.20 0.00 -2.06 0.00 0.00 59.70 56.85 1g3r h MET 189 Cb 1.40 -0.02 0.04 0.00 0.06 0.00 0.00 31.60 33.08 1g3r h MET 189 CO -0.29 0.57 -0.31 0.39 1.06 0.00 0.00 176.91 178.33 1g3r n GLU 190 N -4.14 -2.91 -3.76 1.72 1.02 -0.77 -4.95 120.64 106.85 1g3r n GLU 190 Ca -0.01 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1g3r n GLU 190 Cb 0.38 -4.28 -0.08 0.00 -0.02 0.00 0.00 31.44 27.43 1g3r n GLU 190 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1g3r s VAL 191 N -2.95 0.06 0.30 2.62 -7.23 -1.26 -5.11 120.40 106.83 1g3r s VAL 191 Ca 0.19 -0.50 -0.28 0.00 -1.81 0.00 0.00 61.98 59.58 1g3r s VAL 191 Cb -0.09 -0.65 -0.14 0.00 0.56 0.00 0.00 36.38 36.07 1g3r s VAL 191 CO 0.24 -0.27 1.10 -2.65 -0.31 0.00 0.00 175.10 173.21 1g3r n PRO 192 N 1.20 1.57 -2.84 4.82 -0.02 -1.26 -4.66 135.00 133.80 1g3r n PRO 192 Ca -0.21 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 1g3r n PRO 192 Cb 0.56 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1g3r n PRO 192 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1g3r s LEU 193 N 0.06 4.13 0.39 2.45 2.96 -1.26 -1.75 118.68 125.66 1g3r s LEU 193 Ca 0.58 -0.36 0.21 0.00 -0.22 0.00 0.00 54.13 54.34 1g3r s LEU 193 Cb -0.67 -2.82 0.40 0.00 0.50 0.00 0.00 46.19 43.60 1g3r s LEU 193 CO 0.60 -1.22 1.61 -0.07 -1.32 0.00 0.00 176.35 175.95 1g3r h LEU 194 N 10.94 0.00 0.00 -0.68 3.38 -1.50 -3.48 115.31 123.97 1g3r h LEU 194 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1g3r h LEU 194 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1g3r h LEU 194 CO 1.09 0.21 0.00 0.00 0.09 0.00 0.00 178.44 179.83 1g3r n ALA 195 N -2.16 0.00 -3.54 1.53 0.00 -1.25 -4.72 120.51 110.37 1g3r n ALA 195 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1g3r n ALA 195 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1g3r n ALA 195 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1g3r s VAL 196 N -2.00 3.20 -0.40 0.00 1.01 -1.26 -1.40 120.40 119.55 1g3r s VAL 196 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 1g3r s VAL 196 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1g3r s VAL 196 CO 0.00 0.03 0.34 -0.63 0.00 0.00 0.00 175.10 174.84 1g3r s ILE 197 N 1.34 5.21 0.81 2.22 -1.09 0.01 -4.89 121.20 124.81 1g3r s ILE 197 Ca -0.02 -0.48 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 1g3r s ILE 197 Cb -0.18 -3.93 0.08 0.00 -1.58 0.00 0.00 42.46 36.85 1g3r s ILE 197 CO -0.01 -0.30 1.11 -2.16 -1.23 0.00 0.00 174.94 172.34 1g3r s PRO 198 N 1.84 1.89 -0.74 2.79 0.04 -1.26 0.32 135.00 139.88 1g3r s PRO 198 Ca 0.08 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.11 1g3r s PRO 198 Cb -0.18 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1g3r s PRO 198 CO 0.11 -1.93 1.41 -2.00 0.04 0.00 0.00 177.00 174.64 1g3r s GLU 199 N -4.84 3.10 -0.17 4.56 2.56 -0.35 -4.34 118.70 119.23 1g3r s GLU 199 Ca 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 54.97 55.45 1g3r s GLU 199 Cb -0.19 -4.33 0.03 0.00 2.00 0.00 0.00 34.13 31.65 1g3r s GLU 199 CO 0.57 -2.29 -0.13 0.34 -0.56 0.00 0.00 175.26 173.19 1g3r s ASP 200 N 4.72 3.02 0.57 -1.70 -1.08 -1.26 -4.93 116.67 116.01 1g3r s ASP 200 Ca 0.42 -0.67 0.30 0.00 -0.52 0.00 0.00 52.55 52.09 1g3r s ASP 200 Cb -0.08 -1.24 1.46 0.00 -1.46 0.00 0.00 42.92 41.60 1g3r s ASP 200 CO 0.14 -0.09 1.86 -0.65 0.52 0.00 0.00 175.17 176.95 1g3r h PRO 201 N 8.01 0.00 -0.51 4.34 0.11 -2.01 0.12 132.00 142.06 1g3r h PRO 201 Ca -0.35 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.79 1g3r h PRO 201 Cb 1.12 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1g3r h PRO 201 CO 0.52 0.00 0.34 0.00 -0.21 0.00 0.00 178.00 178.65 1g3r h ALA 202 N 1.45 1.74 -0.46 -0.75 0.00 -1.99 0.08 119.26 119.34 1g3r h ALA 202 Ca 0.34 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1g3r h ALA 202 Cb 1.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1g3r h ALA 202 CO -0.00 0.21 -0.05 0.82 0.00 0.00 0.00 179.25 180.22 1g3r h ILE 203 N 0.60 1.25 -0.09 0.00 2.04 -1.14 -1.13 117.51 119.04 1g3r h ILE 203 Ca 0.20 -1.08 -0.17 0.00 1.00 0.00 0.00 64.86 64.81 1g3r h ILE 203 Cb 0.08 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1g3r h ILE 203 CO -0.05 0.38 -0.67 -0.09 0.00 0.00 0.00 178.15 177.71 1g3r h ARG 204 N 0.73 0.39 -0.67 2.37 2.43 -1.30 -2.35 114.38 115.99 1g3r h ARG 204 Ca 0.13 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1g3r h ARG 204 Cb 0.51 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1g3r h ARG 204 CO 0.03 0.93 0.27 1.49 -1.51 0.00 0.00 179.97 181.17 1g3r h GLU 205 N 0.28 1.00 -0.63 0.20 4.81 -0.61 -2.28 114.58 117.35 1g3r h GLU 205 Ca -0.02 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1g3r h GLU 205 Cb 1.23 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1g3r h GLU 205 CO 0.11 0.84 0.23 0.78 -0.73 0.00 0.00 179.01 180.24 1g3r h GLY 206 N 0.95 1.04 0.38 1.92 0.00 -1.11 -1.62 103.07 104.63 1g3r h GLY 206 Ca 0.22 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1g3r h GLY 206 CO -0.02 0.55 -0.35 -0.84 0.00 0.00 0.00 176.54 175.89 1g3r h THR 207 N 0.90 0.27 -0.29 4.70 2.02 -0.95 0.35 112.91 119.91 1g3r h THR 207 Ca 0.21 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.34 1g3r h THR 207 Cb 0.25 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1g3r h THR 207 CO -0.01 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.76 1g3r h LEU 208 N -0.57 0.43 -0.74 2.58 3.38 -1.37 -2.84 115.31 116.18 1g3r h LEU 208 Ca 0.03 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1g3r h LEU 208 Cb 0.60 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1g3r h LEU 208 CO -0.21 0.53 -0.15 -0.08 0.09 0.00 0.00 178.44 178.62 1g3r h GLU 209 N 0.43 0.80 0.00 1.13 4.57 -0.63 -3.47 114.58 117.42 1g3r h GLU 209 Ca 0.09 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1g3r h GLU 209 Cb 0.36 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1g3r h GLU 209 CO 0.02 0.90 0.00 0.41 -1.18 0.00 0.00 179.01 179.16 1g3r n GLY 210 N -0.35 0.85 2.71 1.92 0.00 0.05 -4.93 105.19 105.45 1g3r n GLY 210 Ca 0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1g3r n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g3r s ILE 211 N -2.00 0.69 0.18 -0.61 1.01 -0.92 -2.45 121.20 117.10 1g3r s ILE 211 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 1g3r s ILE 211 Cb 0.00 -1.46 -0.17 0.00 0.01 0.00 0.00 42.46 40.85 1g3r s ILE 211 CO 0.00 -0.58 0.76 -2.65 0.00 0.00 0.00 174.94 172.47 1g3r n PRO 212 N 4.94 0.37 -0.34 2.79 -0.02 -1.26 -4.34 135.00 137.15 1g3r n PRO 212 Ca -0.04 0.13 0.18 0.00 -2.02 0.00 0.00 63.50 61.75 1g3r n PRO 212 Cb 0.43 -1.32 0.39 0.00 -0.02 0.00 0.00 33.50 32.98 1g3r n PRO 212 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g3r h ALA 213 N 1.73 1.78 -0.46 3.55 0.00 -1.83 -0.66 119.26 123.37 1g3r h ALA 213 Ca -0.35 0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1g3r h ALA 213 Cb 1.41 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1g3r h ALA 213 CO 0.60 -0.35 0.36 -0.24 0.00 0.00 0.00 179.25 179.62 1g3r h VAL 214 N 0.50 0.67 0.00 0.00 3.04 -1.86 -1.39 116.25 117.20 1g3r h VAL 214 Ca 0.65 0.00 -0.41 0.00 -1.01 0.00 0.00 66.70 65.93 1g3r h VAL 214 Cb 1.30 0.74 -0.07 0.00 -2.01 0.00 0.00 31.29 31.26 1g3r h VAL 214 CO -0.52 0.00 -2.45 1.17 -1.01 0.00 0.00 177.57 174.76 1g3r n LYS 215 N -4.23 0.59 0.03 4.17 0.00 -0.36 -4.03 118.16 114.32 1g3r n LYS 215 Ca 0.08 0.20 -0.11 0.00 0.00 0.00 0.00 58.31 58.47 1g3r n LYS 215 Cb 0.56 -1.47 -0.06 0.00 0.00 0.00 0.00 35.03 34.06 1g3r n LYS 215 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1g3r h TYR 216 N -0.47 -0.04 -2.16 5.64 3.20 -1.11 -3.32 116.97 118.71 1g3r h TYR 216 Ca -0.62 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 60.67 1g3r h TYR 216 Cb 1.73 0.02 -0.41 0.00 1.54 0.00 0.00 36.73 39.61 1g3r h TYR 216 CO -0.03 -0.03 -0.75 1.63 -1.64 0.00 0.00 178.16 177.35 1g3r n LYS 217 N -5.12 1.94 -0.35 1.82 5.02 -0.54 -4.98 118.16 115.95 1g3r n LYS 217 Ca -0.06 -4.22 0.28 0.00 -2.02 0.00 0.00 58.31 52.29 1g3r n LYS 217 Cb 0.05 -1.94 0.53 0.00 -0.02 0.00 0.00 35.03 33.66 1g3r n LYS 217 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1g3r h PRO 218 N 4.17 0.21 0.00 1.97 0.13 -1.68 -1.53 132.00 135.28 1g3r h PRO 218 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1g3r h PRO 218 Cb 0.73 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1g3r h PRO 218 CO 0.72 0.14 -0.17 0.93 -0.23 0.00 0.00 178.00 179.39 1g3r h GLU 219 N 0.22 0.00 -7.13 0.86 4.39 -1.91 -3.38 114.58 107.62 1g3r h GLU 219 Ca 0.77 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.94 1g3r h GLU 219 Cb 1.94 0.00 0.20 0.00 -0.10 0.00 0.00 28.75 30.79 1g3r h GLU 219 CO -0.59 0.00 0.07 -1.13 -1.16 0.00 0.00 179.01 176.20 1g3r n SER 220 N -2.28 -0.03 -0.01 1.42 3.41 -0.58 -4.81 113.62 110.74 1g3r n SER 220 Ca 0.05 0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.99 1g3r n SER 220 Cb 0.44 -1.42 -0.06 0.00 -0.26 0.00 0.00 64.21 62.91 1g3r n SER 220 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1g3r h LYS 221 N -1.54 0.13 -0.99 4.33 1.57 -1.91 -2.53 116.57 115.63 1g3r h LYS 221 Ca -0.44 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1g3r h LYS 221 Cb 1.28 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 1g3r h LYS 221 CO 0.41 0.20 0.63 0.78 -0.57 0.00 0.00 179.45 180.90 1g3r h GLY 222 N 0.03 1.54 0.81 3.86 0.00 -1.91 -1.00 103.07 106.40 1g3r h GLY 222 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1g3r h GLY 222 CO -0.00 0.27 -0.10 0.00 0.00 0.00 0.00 176.54 176.71 1g3r h ALA 223 N 1.48 -0.14 -0.72 3.60 0.00 -1.74 -2.00 119.26 119.74 1g3r h ALA 223 Ca 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1g3r h ALA 223 Cb 0.27 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1g3r h ALA 223 CO -0.20 -0.60 0.38 0.87 0.00 0.00 0.00 179.25 179.69 1g3r h LYS 224 N -0.19 1.01 -0.32 0.00 1.57 -1.03 -2.27 116.57 115.34 1g3r h LYS 224 Ca 0.02 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1g3r h LYS 224 Cb 0.21 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1g3r h LYS 224 CO -0.07 0.77 0.20 0.00 -0.57 0.00 0.00 179.45 179.78 1g3r h ALA 225 N 1.19 1.75 0.00 3.86 0.00 -0.94 -1.74 119.26 123.38 1g3r h ALA 225 Ca 0.25 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1g3r h ALA 225 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1g3r h ALA 225 CO -0.04 0.23 -0.92 0.74 0.00 0.00 0.00 179.25 179.26 1g3r h PHE 226 N 0.44 0.00 -0.39 0.00 -1.00 -0.94 -2.53 116.94 112.52 1g3r h PHE 226 Ca 0.12 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.77 1g3r h PHE 226 Cb -0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1g3r h PHE 226 CO 0.00 0.92 -0.26 0.28 -1.61 0.00 0.00 178.31 177.64 1g3r h VAL 227 N 0.00 1.27 -0.42 -0.55 2.07 -0.81 -1.51 116.25 116.30 1g3r h VAL 227 Ca -0.01 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 1g3r h VAL 227 Cb 1.68 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1g3r h VAL 227 CO 0.12 0.47 0.05 0.11 0.02 0.00 0.00 177.57 178.33 1g3r h LYS 228 N 0.70 0.71 -0.88 1.57 1.57 -1.33 -2.22 116.57 116.69 1g3r h LYS 228 Ca 0.09 -0.20 0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1g3r h LYS 228 Cb 0.79 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.95 1g3r h LYS 228 CO 0.07 0.76 0.53 1.25 -0.57 0.00 0.00 179.45 181.48 1g3r h LEU 229 N 0.56 0.77 -0.56 2.94 5.85 -1.20 0.14 115.31 123.81 1g3r h LEU 229 Ca 0.13 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1g3r h LEU 229 Cb 0.41 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1g3r h LEU 229 CO 0.01 0.44 0.24 0.00 -0.34 0.00 0.00 178.44 178.79 1g3r h ALA 230 N 1.47 0.72 -0.24 1.25 0.00 -0.76 0.15 119.26 121.86 1g3r h ALA 230 Ca 0.42 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1g3r h ALA 230 Cb 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1g3r h ALA 230 CO -0.24 -0.14 0.12 0.93 0.00 0.00 0.00 179.25 179.91 1g3r h GLU 231 N 0.45 0.35 -0.47 0.00 5.08 -0.28 -1.78 114.58 117.93 1g3r h GLU 231 Ca 0.27 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1g3r h GLU 231 Cb 0.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1g3r h GLU 231 CO -0.24 0.35 0.21 0.93 -1.00 0.00 0.00 179.01 179.26 1g3r h GLU 232 N 0.26 0.65 -0.23 2.33 4.39 0.02 -0.81 114.58 121.20 1g3r h GLU 232 Ca 0.08 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1g3r h GLU 232 Cb 0.11 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1g3r h GLU 232 CO -0.01 0.52 -0.58 0.82 -1.16 0.00 0.00 179.01 178.59 1g3r h ILE 233 N 0.66 1.29 -0.33 3.13 1.08 -0.51 -3.11 117.51 119.71 1g3r h ILE 233 Ca 0.16 -1.80 -0.15 0.00 -0.39 0.00 0.00 64.86 62.69 1g3r h ILE 233 Cb 0.09 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1g3r h ILE 233 CO -0.02 0.57 -0.38 -0.08 -0.69 0.00 0.00 178.15 177.55 1g3r h GLU 234 N 0.56 0.78 -0.32 2.37 4.81 -0.91 -3.03 114.58 118.84 1g3r h GLU 234 Ca 0.00 -0.40 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1g3r h GLU 234 Cb 1.17 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1g3r h GLU 234 CO 0.12 1.02 0.22 0.87 -0.73 0.00 0.00 179.01 180.51 1g3r h LYS 235 N 0.64 0.42 -0.01 1.92 1.57 -1.13 -2.87 116.57 117.11 1g3r h LYS 235 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1g3r h LYS 235 Cb 0.93 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1g3r h LYS 235 CO 0.09 0.28 0.00 1.28 -0.57 0.00 0.00 179.45 180.52 1g3r n LEU 236 N -4.49 0.01 0.00 2.94 4.77 -1.14 -5.11 117.00 113.97 1g3r n LEU 236 Ca 0.02 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1g3r n LEU 236 Cb 0.07 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1g3r n LEU 236 CO 0.35 0.00 0.15 0.00 -1.33 0.00 0.00 177.39 176.56