#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1h s ASP 10 N 0.00 -0.87 -0.23 3.17 3.68 -1.26 -5.15 116.67 116.01 3g1h s ASP 10 Ca 0.00 1.28 -0.03 0.00 2.13 0.00 0.00 52.55 55.93 3g1h s ASP 10 Cb 0.00 1.71 0.01 0.00 -1.45 0.00 0.00 42.92 43.19 3g1h s ASP 10 CO 0.00 -0.19 -0.06 -0.69 0.13 0.00 0.00 175.17 174.36 3g1h s VAL 11 N 2.14 3.08 0.08 1.11 1.01 -1.26 -4.94 120.40 121.62 3g1h s VAL 11 Ca -0.07 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 3g1h s VAL 11 Cb -0.07 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 3g1h s VAL 11 CO -0.18 0.32 1.84 -0.32 0.00 0.00 0.00 175.10 176.76 3g1h s MET 12 N 1.40 4.15 -0.25 2.72 1.75 -1.26 -0.95 119.30 126.85 3g1h s MET 12 Ca 0.03 2.54 0.00 0.00 -1.25 0.00 0.00 55.69 57.01 3g1h s MET 12 Cb -0.15 -3.79 0.00 0.00 2.84 0.00 0.00 34.83 33.73 3g1h s MET 12 CO -0.04 -0.86 0.00 0.09 -0.65 0.00 0.00 175.02 173.55 3g1h n ASN 13 N 6.32 -4.54 -2.64 1.11 3.02 -1.26 -2.86 115.26 114.40 3g1h n ASN 13 Ca 0.18 0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.66 3g1h n ASN 13 Cb 0.40 -2.25 -0.00 0.00 -0.61 0.00 0.00 39.78 37.31 3g1h n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g1h n ARG 14 N -1.26 -2.58 -4.39 3.52 1.74 -0.13 -4.91 116.66 108.65 3g1h n ARG 14 Ca -0.02 0.48 -0.31 0.00 -0.77 0.00 0.00 57.85 57.23 3g1h n ARG 14 Cb 0.29 -5.09 -0.16 0.00 -1.02 0.00 0.00 32.46 26.47 3g1h n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1h s LEU 15 N -5.70 1.93 -0.22 0.55 2.96 -1.14 -1.29 118.68 115.77 3g1h s LEU 15 Ca 0.08 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3g1h s LEU 15 Cb -0.04 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.35 3g1h s LEU 15 CO 0.10 0.02 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.44 3g1h s ILE 16 N 1.07 2.86 -0.09 6.68 1.01 -0.30 -4.65 121.20 127.79 3g1h s ILE 16 Ca -0.02 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3g1h s ILE 16 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3g1h s ILE 16 CO -0.06 0.36 1.10 -0.22 0.00 0.00 0.00 174.94 176.12 3g1h s LEU 17 N 1.37 4.25 -0.52 2.97 2.96 -1.17 -1.31 118.68 127.22 3g1h s LEU 17 Ca 0.03 1.66 -0.19 0.00 -0.22 0.00 0.00 54.13 55.41 3g1h s LEU 17 Cb -0.15 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.06 3g1h s LEU 17 CO -0.06 -0.52 0.62 0.00 -1.32 0.00 0.00 176.35 175.06 3g1h s ALA 18 N 2.18 3.42 -0.83 5.97 0.00 0.15 0.80 121.76 133.45 3g1h s ALA 18 Ca 0.52 -1.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 3g1h s ALA 18 Cb -0.21 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.66 3g1h s ALA 18 CO 0.19 -2.06 1.03 1.41 0.00 0.00 0.00 175.76 176.33 3g1h s MET 19 N 2.52 3.43 0.00 0.00 1.75 0.32 -4.35 119.30 122.97 3g1h s MET 19 Ca 0.13 -1.54 0.13 0.00 -1.25 0.00 0.00 55.69 53.16 3g1h s MET 19 Cb -0.21 -4.68 0.28 0.00 2.84 0.00 0.00 34.83 33.06 3g1h s MET 19 CO 0.10 -1.74 1.18 -0.25 -0.65 0.00 0.00 175.02 173.65 3g1h n ASP 20 N 6.68 2.77 -4.76 1.11 8.00 -1.26 -4.11 116.55 124.99 3g1h n ASP 20 Ca 0.14 -1.85 -0.38 0.00 0.71 0.00 0.00 54.79 53.41 3g1h n ASP 20 Cb 0.47 -0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.41 3g1h n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1h s LEU 21 N -1.03 3.91 -0.19 0.64 1.43 -1.26 -4.61 118.68 117.57 3g1h s LEU 21 Ca 0.23 2.59 0.16 0.00 -1.03 0.00 0.00 54.13 56.08 3g1h s LEU 21 Cb 0.13 -4.26 0.65 0.00 0.03 0.00 0.00 46.19 42.74 3g1h s LEU 21 CO 0.18 -1.33 1.56 0.23 0.23 0.00 0.00 176.35 177.22 3g1h n MET 22 N -0.83 3.75 -4.04 1.70 2.81 -1.26 -4.30 117.12 114.94 3g1h n MET 22 Ca 0.09 -2.94 -0.32 0.00 -1.81 0.00 0.00 57.70 52.73 3g1h n MET 22 Cb 0.46 -1.98 -0.15 0.00 -0.71 0.00 0.00 33.22 30.84 3g1h n MET 22 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3g1h s ASN 23 N -1.37 4.48 0.32 7.83 2.47 -1.26 -4.75 114.94 122.67 3g1h s ASN 23 Ca 0.47 -1.58 0.22 0.00 0.42 0.00 0.00 52.86 52.39 3g1h s ASN 23 Cb 0.36 -1.53 1.13 0.00 -1.45 0.00 0.00 41.25 39.76 3g1h s ASN 23 CO 0.13 -0.24 1.24 -1.14 -3.72 0.00 0.00 177.10 173.37 3g1h n ARG 24 N 4.41 -0.04 0.10 0.43 0.63 -1.26 0.14 116.66 121.07 3g1h n ARG 24 Ca -0.09 1.03 -0.17 0.00 -0.92 0.00 0.00 57.85 57.70 3g1h n ARG 24 Cb 0.42 -1.96 -0.14 0.00 0.45 0.00 0.00 32.46 31.23 3g1h n ARG 24 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3g1h h ASP 25 N 0.00 0.47 0.17 6.15 3.32 -1.98 -2.51 116.42 122.03 3g1h h ASP 25 Ca 0.69 -0.53 -0.19 0.00 0.02 0.00 0.00 57.03 57.01 3g1h h ASP 25 Cb 2.05 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 41.44 3g1h h ASP 25 CO -0.47 1.42 -0.74 0.44 -1.72 0.00 0.00 179.24 178.17 3g1h h ASP 26 N 0.08 0.58 0.27 6.45 3.32 -0.73 -1.03 116.42 125.36 3g1h h ASP 26 Ca -0.17 -0.38 -0.14 0.00 0.02 0.00 0.00 57.03 56.35 3g1h h ASP 26 Cb 2.01 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.37 3g1h h ASP 26 CO 0.20 1.14 -0.56 0.00 -1.72 0.00 0.00 179.24 178.30 3g1h h ALA 27 N 0.85 0.86 0.03 3.45 0.00 -1.11 -2.24 119.26 121.10 3g1h h ALA 27 Ca -0.04 -0.51 -0.23 0.00 0.00 0.00 0.00 54.91 54.13 3g1h h ALA 27 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3g1h h ALA 27 CO 0.13 0.70 -1.00 -0.07 0.00 0.00 0.00 179.25 179.01 3g1h h LEU 28 N 0.23 0.45 0.71 0.00 3.38 -1.38 -2.35 115.31 116.34 3g1h h LEU 28 Ca 0.00 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3g1h h LEU 28 Cb 1.05 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.67 3g1h h LEU 28 CO 0.09 1.21 -0.34 -0.09 0.09 0.00 0.00 178.44 179.40 3g1h h ARG 29 N 0.17 -0.91 -0.29 1.13 2.43 -1.12 -2.81 114.38 112.97 3g1h h ARG 29 Ca -0.09 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3g1h h ARG 29 Cb 1.66 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 31.38 3g1h h ARG 29 CO 0.17 -0.61 0.07 0.28 -1.51 0.00 0.00 179.97 178.36 3g1h h VAL 30 N -1.20 0.87 -0.67 0.20 2.07 -1.53 -1.60 116.25 114.38 3g1h h VAL 30 Ca -0.10 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.48 3g1h h VAL 30 Cb 0.73 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 3g1h h VAL 30 CO 0.16 0.03 0.22 0.74 0.02 0.00 0.00 177.57 178.74 3g1h h THR 31 N 0.18 0.67 -0.28 2.57 2.02 -1.51 -1.74 112.91 114.82 3g1h h THR 31 Ca 0.14 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3g1h h THR 31 Cb 0.14 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3g1h h THR 31 CO -0.17 0.07 0.03 1.23 0.37 0.00 0.00 175.52 177.05 3g1h h GLY 32 N 0.37 0.50 1.40 2.16 0.00 -1.17 -2.57 103.07 103.76 3g1h h GLY 32 Ca 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3g1h h GLY 32 CO -0.39 0.32 0.24 0.83 0.00 0.00 0.00 176.54 177.54 3g1h h GLU 33 N 0.27 0.00 0.00 4.80 5.08 -0.38 -1.23 114.58 123.12 3g1h h GLU 33 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3g1h h GLU 33 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3g1h h GLU 33 CO 0.01 0.00 -0.21 1.33 -1.00 0.00 0.00 179.01 179.14 3g1h n VAL 34 N -2.31 0.96 0.35 3.13 0.24 -1.09 -4.23 118.33 115.38 3g1h n VAL 34 Ca -0.01 -1.14 0.10 0.00 -2.04 0.00 0.00 64.34 61.25 3g1h n VAL 34 Cb 0.27 0.18 0.45 0.00 -1.47 0.00 0.00 33.84 33.27 3g1h n VAL 34 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3g1h n ARG 35 N -0.71 0.14 0.07 7.34 3.00 -0.47 -2.01 116.66 124.02 3g1h n ARG 35 Ca 0.08 0.43 -0.08 0.00 -0.00 0.00 0.00 57.85 58.28 3g1h n ARG 35 Cb 0.63 -1.80 -0.12 0.00 0.00 0.00 0.00 32.46 31.17 3g1h n ARG 35 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3g1h h GLU 36 N 0.00 0.03 0.00 -0.14 4.11 -1.86 -3.28 114.58 113.44 3g1h h GLU 36 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 3g1h h GLU 36 Cb 0.26 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3g1h h GLU 36 CO 0.00 1.02 -0.75 0.66 0.07 0.00 0.00 179.01 180.01 3g1h n TYR 37 N -3.38 0.13 -4.04 2.06 4.02 -0.85 -4.94 117.16 110.16 3g1h n TYR 37 Ca -0.01 0.04 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 3g1h n TYR 37 Cb 0.94 -0.30 -0.12 0.00 -0.02 0.00 0.00 39.34 39.84 3g1h n TYR 37 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3g1h s ILE 38 N -3.07 0.42 0.00 -0.72 -4.36 -1.02 -4.54 121.20 107.90 3g1h s ILE 38 Ca 0.08 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 3g1h s ILE 38 Cb 0.16 -0.49 0.00 0.00 1.25 0.00 0.00 42.46 43.38 3g1h s ILE 38 CO 0.76 -0.36 0.61 -0.90 0.24 0.00 0.00 174.94 175.28 3g1h n ASP 39 N 1.64 0.89 -3.92 4.36 5.75 -1.26 -4.63 116.55 119.37 3g1h n ASP 39 Ca -0.22 -1.36 -0.20 0.00 -0.01 0.00 0.00 54.79 53.00 3g1h n ASP 39 Cb 0.55 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.48 3g1h n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1h s THR 40 N -0.36 0.60 -0.05 2.12 2.01 -1.26 -0.84 115.64 117.86 3g1h s THR 40 Ca 0.00 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.83 3g1h s THR 40 Cb 0.00 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.93 3g1h s THR 40 CO 0.00 0.23 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.35 3g1h s VAL 41 N 0.68 1.02 -0.17 3.82 1.01 -0.46 -3.06 120.40 123.23 3g1h s VAL 41 Ca -0.10 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 3g1h s VAL 41 Cb -0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3g1h s VAL 41 CO 0.01 0.32 0.25 -0.75 0.00 0.00 0.00 175.10 174.92 3g1h s LYS 42 N 0.42 4.23 -0.09 2.72 2.20 0.24 -1.21 119.74 128.25 3g1h s LYS 42 Ca -0.09 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.55 3g1h s LYS 42 Cb -0.13 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3g1h s LYS 42 CO 0.02 0.24 -0.13 0.42 -0.36 0.00 0.00 175.35 175.53 3g1h s ILE 43 N 0.49 1.32 0.11 5.43 1.01 -0.17 -0.52 121.20 128.87 3g1h s ILE 43 Ca 0.14 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3g1h s ILE 43 Cb -0.12 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.14 3g1h s ILE 43 CO 0.02 0.40 0.07 0.61 0.00 0.00 0.00 174.94 176.05 3g1h n GLY 44 N 4.11 3.15 0.30 6.18 0.00 -1.26 -1.35 105.19 116.33 3g1h n GLY 44 Ca -0.20 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.63 3g1h n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1h h TYR 45 N 0.61 0.65 -0.55 1.61 0.99 -1.96 -2.76 116.97 115.56 3g1h h TYR 45 Ca -0.07 -0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.74 3g1h h TYR 45 Cb 0.26 -0.20 -0.11 0.00 1.00 0.00 0.00 36.73 37.67 3g1h h TYR 45 CO 0.00 0.50 -0.32 -1.35 -0.00 0.00 0.00 178.16 176.98 3g1h h PRO 46 N 0.65 -0.17 0.34 4.88 0.11 -1.94 -0.86 132.00 135.02 3g1h h PRO 46 Ca 0.16 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3g1h h PRO 46 Cb 0.11 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3g1h h PRO 46 CO -0.02 -0.11 -0.16 1.25 -0.21 0.00 0.00 178.00 178.74 3g1h h LEU 47 N -0.18 -0.39 -1.94 2.35 5.85 -1.72 -3.02 115.31 116.28 3g1h h LEU 47 Ca 0.22 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3g1h h LEU 47 Cb 0.54 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3g1h h LEU 47 CO -0.64 0.07 0.26 -0.37 -0.34 0.00 0.00 178.44 177.42 3g1h h VAL 48 N -1.09 0.85 -0.01 1.05 -1.51 -1.48 0.64 116.25 114.70 3g1h h VAL 48 Ca -0.05 -0.03 -0.14 0.00 -1.23 0.00 0.00 66.70 65.26 3g1h h VAL 48 Cb 0.41 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 3g1h h VAL 48 CO 0.08 0.01 -0.64 -0.07 -1.23 0.00 0.00 177.57 175.72 3g1h h LEU 49 N 0.07 0.05 0.22 4.19 3.38 -1.26 1.01 115.31 122.96 3g1h h LEU 49 Ca 0.17 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.79 3g1h h LEU 49 Cb 0.60 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.36 3g1h h LEU 49 CO -0.01 0.68 -1.52 0.28 0.09 0.00 0.00 178.44 177.95 3g1h h SER 50 N 0.03 0.72 -0.01 -0.43 0.02 -0.32 -3.39 113.55 110.17 3g1h h SER 50 Ca -0.01 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 3g1h h SER 50 Cb 1.14 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3g1h h SER 50 CO 0.09 1.71 -0.21 -0.62 -1.14 0.00 0.00 176.83 176.66 3g1h n GLU 51 N -3.73 1.88 0.00 3.45 -0.58 0.19 -5.01 120.64 116.84 3g1h n GLU 51 Ca -0.20 -0.69 0.00 0.00 -0.42 0.00 0.00 57.16 55.85 3g1h n GLU 51 Cb 1.06 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 3g1h n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1h n GLY 52 N 0.91 -1.08 0.34 0.62 0.00 0.35 -4.55 105.19 101.78 3g1h n GLY 52 Ca 0.05 -1.50 0.16 0.00 0.00 0.00 0.00 46.02 44.74 3g1h n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1h h MET 53 N 0.00 0.00 -0.65 1.61 2.86 -1.94 -1.95 114.93 114.86 3g1h h MET 53 Ca 0.00 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 3g1h h MET 53 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3g1h h MET 53 CO 0.00 0.00 0.55 -0.44 1.06 0.00 0.00 176.91 178.08 3g1h h ASP 54 N 0.00 0.00 -0.77 1.22 3.32 -1.93 0.23 116.42 118.49 3g1h h ASP 54 Ca 0.17 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.42 3g1h h ASP 54 Cb 0.68 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3g1h h ASP 54 CO -0.00 0.00 0.54 -0.29 -1.72 0.00 0.00 179.24 177.77 3g1h h ILE 55 N 0.00 0.65 -0.03 0.35 6.09 -1.59 -0.91 117.51 122.08 3g1h h ILE 55 Ca 0.31 -0.04 -0.00 0.00 -1.37 0.00 0.00 64.86 63.76 3g1h h ILE 55 Cb 1.41 0.53 -0.00 0.00 0.47 0.00 0.00 36.82 39.23 3g1h h ILE 55 CO -0.00 0.02 0.01 0.40 -3.07 0.00 0.00 178.15 175.50 3g1h h ILE 56 N 0.11 1.19 -0.12 2.19 2.04 -0.77 -0.90 117.51 121.24 3g1h h ILE 56 Ca 0.37 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 3g1h h ILE 56 Cb 1.32 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3g1h h ILE 56 CO -0.05 0.15 -0.35 0.00 0.00 0.00 0.00 178.15 177.90 3g1h h ALA 57 N 0.79 1.18 -0.14 1.87 0.00 -1.28 -2.37 119.26 119.31 3g1h h ALA 57 Ca 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3g1h h ALA 57 Cb 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3g1h h ALA 57 CO 0.00 0.55 -0.02 1.49 0.00 0.00 0.00 179.25 181.27 3g1h h GLU 58 N 0.21 0.26 -0.45 0.00 4.81 -1.08 0.76 114.58 119.10 3g1h h GLU 58 Ca 0.03 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3g1h h GLU 58 Cb 0.73 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 3g1h h GLU 58 CO 0.06 0.52 0.24 0.74 -0.73 0.00 0.00 179.01 179.83 3g1h h PHE 59 N -0.03 0.44 -0.69 0.92 -1.00 -1.09 0.56 116.94 116.05 3g1h h PHE 59 Ca 0.04 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 3g1h h PHE 59 Cb 0.41 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 3g1h h PHE 59 CO 0.04 0.23 0.35 -0.09 -1.61 0.00 0.00 178.31 177.24 3g1h h ARG 60 N 0.47 0.97 -0.04 1.51 2.43 -1.32 -0.30 114.38 118.11 3g1h h ARG 60 Ca 0.19 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3g1h h ARG 60 Cb 0.07 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3g1h h ARG 60 CO -0.12 0.73 -0.26 0.87 -1.51 0.00 0.00 179.97 179.69 3g1h h LYS 61 N 0.97 0.24 0.40 0.20 1.57 0.00 -2.39 116.57 117.57 3g1h h LYS 61 Ca 0.24 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3g1h h LYS 61 Cb 0.07 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3g1h h LYS 61 CO -0.04 0.88 -0.19 0.00 -0.57 0.00 0.00 179.45 179.53 3g1h h ARG 62 N -0.33 -0.52 -0.02 3.15 3.08 0.35 -3.35 114.38 116.75 3g1h h ARG 62 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3g1h h ARG 62 Cb 0.94 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3g1h h ARG 62 CO 0.05 -0.24 -0.24 1.19 -1.07 0.00 0.00 179.97 179.67 3g1h n PHE 63 N -5.24 0.00 -1.42 3.04 3.01 -0.15 -4.95 117.46 111.76 3g1h n PHE 63 Ca -0.10 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.20 3g1h n PHE 63 Cb 0.28 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.68 3g1h n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g1h n GLY 64 N 1.32 1.43 3.86 1.37 0.00 -0.90 -4.93 105.19 107.35 3g1h n GLY 64 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3g1h n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h s ARG 66 N -3.64 3.31 -0.09 0.00 0.52 -0.02 -4.53 118.95 114.49 3g1h s ARG 66 Ca 0.53 0.99 -0.00 0.00 -0.52 0.00 0.00 55.73 56.73 3g1h s ARG 66 Cb -0.10 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.35 3g1h s ARG 66 CO 0.27 -0.81 -0.06 0.42 0.02 0.00 0.00 175.30 175.15 3g1h s ILE 67 N -2.85 0.82 -0.27 1.52 1.01 -1.26 -1.35 121.20 118.83 3g1h s ILE 67 Ca 0.59 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 3g1h s ILE 67 Cb -0.13 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3g1h s ILE 67 CO 0.46 0.33 0.13 -0.63 0.00 0.00 0.00 174.94 175.23 3g1h s ILE 68 N 1.58 4.81 -0.52 2.92 1.01 -0.35 -1.42 121.20 129.22 3g1h s ILE 68 Ca 0.01 -0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 3g1h s ILE 68 Cb -0.13 -3.29 0.04 0.00 0.01 0.00 0.00 42.46 39.09 3g1h s ILE 68 CO -0.05 0.28 0.88 0.00 0.00 0.00 0.00 174.94 176.04 3g1h s ALA 69 N 1.68 3.21 -1.36 9.38 0.00 0.24 -1.00 121.76 133.91 3g1h s ALA 69 Ca 0.07 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 3g1h s ALA 69 Cb -0.16 -3.64 0.09 0.00 0.00 0.00 0.00 23.12 19.41 3g1h s ALA 69 CO 0.07 -2.25 1.99 -3.47 0.00 0.00 0.00 175.76 172.10 3g1h n ASP 70 N 7.17 4.50 -0.18 0.00 -0.08 -0.45 -1.21 116.55 126.29 3g1h n ASP 70 Ca 0.01 -2.94 0.11 0.00 -1.51 0.00 0.00 54.79 50.46 3g1h n ASP 70 Cb 0.47 -1.61 0.05 0.00 2.34 0.00 0.00 41.12 42.37 3g1h n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g1h n PHE 71 N 5.74 0.00 -4.11 -0.67 0.99 -1.25 -4.24 117.46 113.91 3g1h n PHE 71 Ca 0.47 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.64 3g1h n PHE 71 Cb 0.40 -0.06 -0.06 0.00 -1.00 0.00 0.00 39.48 38.76 3g1h n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3g1h n LYS 72 N -0.95 -2.26 -1.63 -1.08 5.02 0.62 -4.73 118.16 113.14 3g1h n LYS 72 Ca 0.07 0.27 -0.56 0.00 -2.02 0.00 0.00 58.31 56.07 3g1h n LYS 72 Cb 0.37 -4.12 -0.07 0.00 -0.02 0.00 0.00 35.03 31.20 3g1h n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1h n VAL 73 N -4.48 0.11 -2.71 -0.18 0.31 -0.91 -4.33 118.33 106.15 3g1h n VAL 73 Ca -0.32 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 3g1h n VAL 73 Cb 0.69 -0.87 0.06 0.00 -0.91 0.00 0.00 33.84 32.81 3g1h n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1h n ALA 74 N 3.53 2.47 -3.79 3.52 0.00 -1.26 -1.37 120.51 123.61 3g1h n ALA 74 Ca 0.22 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 51.18 3g1h n ALA 74 Cb 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3g1h n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1h n ASP 75 N -0.20 1.99 -4.83 0.00 -0.08 -1.26 -4.97 116.55 107.20 3g1h n ASP 75 Ca 0.06 -0.79 -0.31 0.00 -1.51 0.00 0.00 54.79 52.24 3g1h n ASP 75 Cb 0.82 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.33 3g1h n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1h s ILE 76 N -0.59 3.87 0.18 5.18 -4.36 -1.26 -4.75 121.20 119.48 3g1h s ILE 76 Ca 0.00 0.61 -0.22 0.00 -0.26 0.00 0.00 60.65 60.78 3g1h s ILE 76 Cb 0.00 -3.41 0.10 0.00 1.25 0.00 0.00 42.46 40.40 3g1h s ILE 76 CO 0.00 -0.79 1.58 -0.65 0.24 0.00 0.00 174.94 175.32 3g1h h PRO 77 N -0.74 -0.18 -0.55 0.37 0.11 -1.87 -0.50 132.00 128.64 3g1h h PRO 77 Ca -0.45 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.79 3g1h h PRO 77 Cb 1.22 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 3g1h h PRO 77 CO 0.59 -0.12 0.01 0.93 -0.21 0.00 0.00 178.00 179.19 3g1h h GLU 78 N -0.19 0.12 -0.13 1.05 3.07 -1.94 -1.35 114.58 115.21 3g1h h GLU 78 Ca 0.21 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.87 3g1h h GLU 78 Cb 0.55 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3g1h h GLU 78 CO -0.66 0.08 -0.70 1.15 -1.40 0.00 0.00 179.01 177.48 3g1h h THR 79 N 0.13 1.33 -0.99 1.13 2.02 -1.83 -3.09 112.91 111.61 3g1h h THR 79 Ca 0.28 -2.01 0.03 0.00 0.77 0.00 0.00 66.41 65.48 3g1h h THR 79 Cb 0.43 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 3g1h h THR 79 CO -0.46 0.62 0.65 0.78 0.37 0.00 0.00 175.52 177.48 3g1h h ASN 80 N 0.39 1.09 -0.65 4.18 4.21 -0.51 -1.53 115.58 122.76 3g1h h ASN 80 Ca -0.03 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.43 3g1h h ASN 80 Cb 1.28 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 38.20 3g1h h ASN 80 CO 0.13 0.76 0.26 -0.33 -1.29 0.00 0.00 177.43 176.96 3g1h h GLU 81 N 1.27 0.97 -0.65 0.81 5.08 -1.21 -0.46 114.58 120.39 3g1h h GLU 81 Ca 0.39 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3g1h h GLU 81 Cb -0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3g1h h GLU 81 CO -0.11 0.82 0.23 0.87 -1.00 0.00 0.00 179.01 179.81 3g1h h LYS 82 N 0.92 0.99 -0.45 2.33 1.57 -1.35 -0.55 116.57 120.03 3g1h h LYS 82 Ca 0.22 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3g1h h LYS 82 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3g1h h LYS 82 CO -0.02 0.85 -0.27 0.82 -0.57 0.00 0.00 179.45 180.26 3g1h h ILE 83 N 0.93 1.27 -0.07 1.86 2.04 -0.98 -0.68 117.51 121.87 3g1h h ILE 83 Ca 0.21 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3g1h h ILE 83 Cb 0.25 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3g1h h ILE 83 CO -0.01 0.49 -0.02 0.00 0.00 0.00 0.00 178.15 178.62 3g1h h ARG 85 N -0.19 0.76 -0.30 0.00 2.43 -1.07 0.16 114.38 116.17 3g1h h ARG 85 Ca 0.02 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3g1h h ARG 85 Cb 0.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3g1h h ARG 85 CO 0.01 0.50 -0.44 0.00 -1.51 0.00 0.00 179.97 178.53 3g1h h ALA 86 N 1.40 0.66 -0.14 2.80 0.00 -1.04 0.13 119.26 123.08 3g1h h ALA 86 Ca 0.35 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3g1h h ALA 86 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3g1h h ALA 86 CO -0.21 0.67 -0.41 1.15 0.00 0.00 0.00 179.25 180.46 3g1h h THR 87 N 0.62 1.31 0.08 0.00 2.02 0.09 -2.25 112.91 114.78 3g1h h THR 87 Ca 0.04 -1.54 -0.26 0.00 0.77 0.00 0.00 66.41 65.43 3g1h h THR 87 Cb 1.00 1.65 0.01 0.00 -1.74 0.00 0.00 68.15 69.07 3g1h h THR 87 CO 0.10 0.46 -1.13 -0.26 0.37 0.00 0.00 175.52 175.06 3g1h h PHE 88 N 0.26 0.60 -0.14 3.16 0.04 -0.63 -2.50 116.94 117.74 3g1h h PHE 88 Ca 0.02 -0.39 0.04 0.00 2.80 0.00 0.00 57.97 60.45 3g1h h PHE 88 Cb 0.84 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 3g1h h PHE 88 CO 0.02 1.25 0.20 -0.22 -0.60 0.00 0.00 178.31 178.96 3g1h h LYS 89 N 0.15 0.00 -0.29 1.51 3.64 -0.42 2.21 116.57 123.37 3g1h h LYS 89 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3g1h h LYS 89 Cb 1.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 3g1h h LYS 89 CO 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.37 3g1h n ALA 90 N -2.24 2.48 -2.46 5.00 0.00 -0.87 -4.92 120.51 117.49 3g1h n ALA 90 Ca 0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 53.44 52.76 3g1h n ALA 90 Cb 0.31 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.75 3g1h n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1h n GLY 91 N 1.16 0.42 3.71 0.00 0.00 0.74 -3.64 105.19 107.58 3g1h n GLY 91 Ca 0.15 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3g1h n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h s ALA 92 N -2.71 3.34 0.09 4.61 0.00 -0.95 -4.83 121.76 121.31 3g1h s ALA 92 Ca 0.08 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 3g1h s ALA 92 Cb -0.03 -2.96 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 3g1h s ALA 92 CO 0.09 -0.12 1.56 -0.44 0.00 0.00 0.00 175.76 176.86 3g1h h ASP 93 N 6.78 0.36 -5.08 0.00 3.32 -1.58 -3.42 116.42 116.80 3g1h h ASP 93 Ca -0.41 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.25 3g1h h ASP 93 Cb 1.19 -0.09 -0.19 0.00 0.22 0.00 0.00 39.33 40.47 3g1h h ASP 93 CO 0.76 0.51 -0.65 0.00 -1.72 0.00 0.00 179.24 178.14 3g1h s ALA 94 N -5.22 0.17 -0.00 3.45 0.00 -0.96 -1.74 121.76 117.47 3g1h s ALA 94 Ca -0.14 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3g1h s ALA 94 Cb 0.07 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 3g1h s ALA 94 CO 0.73 -0.26 -0.12 -1.50 0.00 0.00 0.00 175.76 174.61 3g1h s ILE 95 N -2.42 0.92 -0.22 0.00 2.07 -0.88 0.80 121.20 121.46 3g1h s ILE 95 Ca -0.07 -0.57 -0.17 0.00 -1.41 0.00 0.00 60.65 58.43 3g1h s ILE 95 Cb -0.03 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 3g1h s ILE 95 CO -0.04 0.21 0.46 -0.63 -1.91 0.00 0.00 174.94 173.03 3g1h s ILE 96 N -0.37 5.14 -0.04 2.00 1.01 -0.35 -1.53 121.20 127.06 3g1h s ILE 96 Ca 0.04 0.83 0.06 0.00 0.00 0.00 0.00 60.65 61.57 3g1h s ILE 96 Cb -0.05 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3g1h s ILE 96 CO -0.00 0.19 -0.20 -0.69 0.00 0.00 0.00 174.94 174.23 3g1h s VAL 97 N 1.67 2.55 0.35 2.92 1.01 0.24 -0.28 120.40 128.86 3g1h s VAL 97 Ca 0.21 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 3g1h s VAL 97 Cb -0.15 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 3g1h s VAL 97 CO 0.09 0.59 1.02 -1.00 0.00 0.00 0.00 175.10 175.79 3g1h s HIS 98 N -0.66 3.50 -0.13 5.22 3.76 -0.47 -0.82 115.29 125.69 3g1h s HIS 98 Ca 0.10 1.71 0.19 0.00 -0.15 0.00 0.00 55.06 56.92 3g1h s HIS 98 Cb -0.10 -3.08 -0.19 0.00 1.11 0.00 0.00 32.58 30.32 3g1h s HIS 98 CO -0.00 -0.28 0.63 0.41 -0.85 0.00 0.00 174.74 174.65 3g1h n GLY 99 N 0.60 -1.15 0.29 -2.22 0.00 -1.14 -4.41 105.19 97.17 3g1h n GLY 99 Ca 0.03 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3g1h n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3g1h h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.94 -2.56 116.94 108.90 3g1h h PHE 100 Ca -0.18 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.59 3g1h h PHE 100 Cb 1.50 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.67 3g1h h PHE 100 CO 0.00 0.01 0.00 -1.35 -2.00 0.00 0.00 178.31 174.97 3g1h h PRO 101 N 0.00 0.00 0.00 6.09 0.11 -1.94 -3.48 132.00 132.78 3g1h h PRO 101 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g1h h PRO 101 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3g1h h PRO 101 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 3g1h n GLY 102 N -0.59 1.47 0.06 -0.55 0.00 -0.97 -4.79 105.19 99.83 3g1h n GLY 102 Ca -0.01 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 3g1h n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h h ALA 103 N 0.00 0.02 -0.96 4.61 0.00 -1.94 -3.04 119.26 117.95 3g1h h ALA 103 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.77 3g1h h ALA 103 Cb 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 3g1h h ALA 103 CO 0.00 -0.21 0.61 0.38 0.00 0.00 0.00 179.25 180.04 3g1h h ASP 104 N -0.46 0.83 -0.47 0.00 2.03 -1.98 0.29 116.42 116.65 3g1h h ASP 104 Ca 0.00 0.05 -0.05 0.00 -0.73 0.00 0.00 57.03 56.29 3g1h h ASP 104 Cb 0.54 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 3g1h h ASP 104 CO 0.00 0.43 0.08 0.28 -1.03 0.00 0.00 179.24 179.00 3g1h h SER 105 N 0.89 0.75 -0.22 4.15 0.02 -1.86 -1.14 113.55 116.13 3g1h h SER 105 Ca 0.48 -0.26 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3g1h h SER 105 Cb 0.58 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3g1h h SER 105 CO -0.25 0.81 -0.35 0.58 -1.14 0.00 0.00 176.83 176.49 3g1h h VAL 106 N 0.65 1.32 -0.82 2.27 2.07 -1.26 -3.10 116.25 117.38 3g1h h VAL 106 Ca 0.14 -1.55 0.14 0.00 0.82 0.00 0.00 66.70 66.25 3g1h h VAL 106 Cb 0.38 1.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.85 3g1h h VAL 106 CO 0.01 0.48 0.41 -0.09 0.02 0.00 0.00 177.57 178.40 3g1h h ARG 107 N 0.32 0.59 -0.81 1.57 9.65 -0.32 0.62 114.38 126.00 3g1h h ARG 107 Ca 0.02 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3g1h h ARG 107 Cb 0.93 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.34 3g1h h ARG 107 CO 0.08 0.39 0.53 0.00 2.80 0.00 0.00 179.97 183.77 3g1h h ALA 108 N 1.53 1.04 -0.02 2.80 0.00 -1.16 0.31 119.26 123.76 3g1h h ALA 108 Ca 0.44 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 3g1h h ALA 108 Cb 0.59 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3g1h h ALA 108 CO -0.35 0.42 -0.56 0.00 0.00 0.00 0.00 179.25 178.76 3g1h h LEU 110 N 0.04 0.87 -1.17 0.00 3.38 0.16 -2.40 115.31 116.20 3g1h h LEU 110 Ca -0.00 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 3g1h h LEU 110 Cb 1.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3g1h h LEU 110 CO 0.08 1.27 0.46 0.78 0.09 0.00 0.00 178.44 181.12 3g1h h ASN 111 N 0.51 0.91 -0.05 -0.43 2.35 -0.24 -1.99 115.58 116.64 3g1h h ASN 111 Ca -0.00 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.56 3g1h h ASN 111 Cb 1.15 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 39.30 3g1h h ASN 111 CO 0.12 0.70 -0.53 0.58 -1.65 0.00 0.00 177.43 176.64 3g1h h VAL 112 N 1.05 1.40 -0.59 2.81 2.07 -1.46 -1.78 116.25 119.74 3g1h h VAL 112 Ca 0.27 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 3g1h h VAL 112 Cb -0.05 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3g1h h VAL 112 CO -0.05 0.57 0.31 0.00 0.02 0.00 0.00 177.57 178.42 3g1h h ALA 113 N 0.40 1.45 -0.03 1.67 0.00 -1.32 -1.74 119.26 119.69 3g1h h ALA 113 Ca -0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 3g1h h ALA 113 Cb 1.20 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3g1h h ALA 113 CO 0.11 0.45 -0.96 1.49 0.00 0.00 0.00 179.25 180.34 3g1h h GLU 114 N 0.81 0.63 0.00 0.00 4.81 -1.40 0.95 114.58 120.38 3g1h h GLU 114 Ca 0.21 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3g1h h GLU 114 Cb 0.03 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3g1h h GLU 114 CO -0.03 1.24 0.00 -1.91 -0.73 0.00 0.00 179.01 177.58 3g1h n GLU 115 N -3.84 0.67 0.00 1.92 2.13 -0.67 -3.12 120.64 117.73 3g1h n GLU 115 Ca -0.09 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.75 3g1h n GLU 115 Cb 0.84 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.05 3g1h n GLU 115 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3g1h n MET 116 N -1.08 1.11 -2.69 5.31 2.81 -0.69 -5.04 117.12 116.85 3g1h n MET 116 Ca 0.17 -0.09 -0.05 0.00 -1.81 0.00 0.00 57.70 55.92 3g1h n MET 116 Cb 0.11 -0.43 0.02 0.00 -0.71 0.00 0.00 33.22 32.21 3g1h n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1h n GLY 117 N 0.18 0.58 3.25 3.03 0.00 0.97 -5.04 105.19 108.16 3g1h n GLY 117 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 3g1h n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1h s ARG 118 N -5.17 1.17 0.33 1.61 0.52 0.29 -5.01 118.95 112.70 3g1h s ARG 118 Ca 0.12 -1.58 -0.13 0.00 -0.52 0.00 0.00 55.73 53.61 3g1h s ARG 118 Cb -0.05 -0.24 -0.08 0.00 0.52 0.00 0.00 34.95 35.10 3g1h s ARG 118 CO 0.16 -0.18 0.72 -1.21 0.02 0.00 0.00 175.30 174.82 3g1h s GLU 119 N -3.95 3.92 -0.12 3.54 0.41 -0.71 -4.27 118.70 117.51 3g1h s GLU 119 Ca 0.27 0.56 0.00 0.00 -0.41 0.00 0.00 54.97 55.40 3g1h s GLU 119 Cb 0.06 -2.45 0.02 0.00 -1.78 0.00 0.00 34.13 29.99 3g1h s GLU 119 CO 0.06 0.12 -0.10 0.08 -0.49 0.00 0.00 175.26 174.93 3g1h s VAL 120 N -2.07 1.23 -0.26 2.63 1.01 -1.26 -2.08 120.40 119.60 3g1h s VAL 120 Ca 0.53 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3g1h s VAL 120 Cb -0.10 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3g1h s VAL 120 CO 0.22 0.40 0.17 -0.36 0.00 0.00 0.00 175.10 175.52 3g1h s PHE 121 N 1.55 3.26 -0.36 5.22 0.40 -0.58 -4.09 117.98 123.39 3g1h s PHE 121 Ca 0.04 0.15 -0.20 0.00 -0.60 0.00 0.00 56.93 56.32 3g1h s PHE 121 Cb -0.13 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.09 3g1h s PHE 121 CO -0.08 -0.04 0.59 -1.17 0.70 0.00 0.00 175.22 175.22 3g1h s LEU 122 N 1.36 4.31 -0.68 -0.37 2.96 -0.56 -0.59 118.68 125.11 3g1h s LEU 122 Ca 0.07 0.05 -0.26 0.00 -0.22 0.00 0.00 54.13 53.77 3g1h s LEU 122 Cb -0.15 -2.71 0.04 0.00 0.50 0.00 0.00 46.19 43.87 3g1h s LEU 122 CO 0.07 -0.57 1.16 -0.22 -1.32 0.00 0.00 176.35 175.47 3g1h s LEU 123 N 2.61 3.57 0.01 -0.68 2.96 0.00 -2.19 118.68 124.97 3g1h s LEU 123 Ca 0.22 -0.48 0.12 0.00 -0.22 0.00 0.00 54.13 53.77 3g1h s LEU 123 Cb -0.15 -2.65 -0.21 0.00 0.50 0.00 0.00 46.19 43.69 3g1h s LEU 123 CO 0.15 -1.64 0.85 0.71 -1.32 0.00 0.00 176.35 175.09 3g1h h THR 124 N 6.04 1.02 -2.71 3.68 1.35 -1.84 -3.00 112.91 117.44 3g1h h THR 124 Ca -0.28 -2.80 -0.12 0.00 -0.55 0.00 0.00 66.41 62.67 3g1h h THR 124 Cb 1.06 2.49 -0.25 0.00 -1.73 0.00 0.00 68.15 69.71 3g1h h THR 124 CO 1.23 0.58 -0.26 -0.70 -0.25 0.00 0.00 175.52 176.11 3g1h s GLU 125 N -2.66 0.44 0.55 4.72 2.12 -1.25 -4.38 118.70 118.24 3g1h s GLU 125 Ca -0.03 0.65 -0.03 0.00 0.36 0.00 0.00 54.97 55.93 3g1h s GLU 125 Cb 0.08 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.62 3g1h s GLU 125 CO 0.82 -0.10 0.82 -1.64 -0.54 0.00 0.00 175.26 174.62 3g1h s MET 126 N 0.68 2.79 -0.08 4.30 -1.94 -1.26 -3.85 119.30 119.93 3g1h s MET 126 Ca -0.04 -0.35 0.14 0.00 -1.71 0.00 0.00 55.69 53.73 3g1h s MET 126 Cb -0.05 -2.39 -0.24 0.00 2.01 0.00 0.00 34.83 34.16 3g1h s MET 126 CO -0.05 -0.64 0.52 -1.13 -0.01 0.00 0.00 175.02 173.71 3g1h n SER 127 N -2.42 0.67 -4.73 3.03 3.41 -1.26 -4.67 113.62 107.64 3g1h n SER 127 Ca 0.05 0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.67 3g1h n SER 127 Cb 0.58 0.19 0.13 0.00 -0.26 0.00 0.00 64.21 64.85 3g1h n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1h s HIS 128 N -2.57 2.39 0.24 7.33 -3.43 -1.26 -4.82 115.29 113.17 3g1h s HIS 128 Ca -0.06 1.31 -0.06 0.00 -0.80 0.00 0.00 55.06 55.45 3g1h s HIS 128 Cb 0.07 -3.14 0.35 0.00 -1.43 0.00 0.00 32.58 28.44 3g1h s HIS 128 CO 0.83 -2.25 1.82 -1.35 -2.00 0.00 0.00 174.74 171.78 3g1h h PRO 129 N -1.45 0.77 0.00 -0.38 0.11 -2.00 -2.23 132.00 126.82 3g1h h PRO 129 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3g1h h PRO 129 Cb 1.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3g1h h PRO 129 CO 0.54 0.51 0.16 0.78 -0.21 0.00 0.00 178.00 179.78 3g1h h GLY 130 N 0.79 0.00 2.00 -0.55 0.00 -1.98 -1.75 103.07 101.59 3g1h h GLY 130 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3g1h h GLY 130 CO -0.22 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.32 3g1h h ALA 131 N 1.66 1.00 0.00 3.60 0.00 -1.72 -2.20 119.26 121.61 3g1h h ALA 131 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3g1h h ALA 131 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3g1h h ALA 131 CO 0.00 0.00 -0.91 0.93 0.00 0.00 0.00 179.25 179.27 3g1h h GLU 132 N 0.00 0.00 -0.15 0.00 5.08 -1.53 0.09 114.58 118.07 3g1h h GLU 132 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3g1h h GLU 132 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3g1h h GLU 132 CO 0.00 0.91 -0.10 0.52 -1.00 0.00 0.00 179.01 179.34 3g1h h MET 133 N 0.00 -0.10 0.00 2.33 2.86 -1.60 -3.41 114.93 115.01 3g1h h MET 133 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1h h MET 133 Cb 1.64 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.33 3g1h h MET 133 CO 0.12 -0.07 -0.34 1.19 1.06 0.00 0.00 176.91 178.87 3g1h n PHE 134 N -5.25 -0.36 -0.10 -0.22 3.01 -1.26 -4.87 117.46 108.40 3g1h n PHE 134 Ca -0.03 0.06 -0.08 0.00 1.01 0.00 0.00 57.45 58.42 3g1h n PHE 134 Cb 0.17 0.29 -0.01 0.00 -0.01 0.00 0.00 39.48 39.92 3g1h n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g1h h ILE 135 N 0.00 0.26 -0.93 4.37 2.04 -1.83 -2.74 117.51 118.68 3g1h h ILE 135 Ca 0.00 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.05 3g1h h ILE 135 Cb 0.34 0.26 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 3g1h h ILE 135 CO 0.00 0.00 0.51 -0.61 0.00 0.00 0.00 178.15 178.05 3g1h h GLN 136 N -0.25 0.61 0.00 2.37 4.15 -1.20 0.18 115.11 120.97 3g1h h GLN 136 Ca 0.17 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3g1h h GLN 136 Cb 0.52 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3g1h h GLN 136 CO -0.51 0.40 0.00 0.78 -1.93 0.00 0.00 178.83 177.57 3g1h h GLY 137 N 0.62 0.00 -0.55 2.39 0.00 -1.73 -2.27 103.07 101.53 3g1h h GLY 137 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3g1h h GLY 137 CO -0.42 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.12 3g1h n ALA 138 N -2.01 2.16 0.06 3.60 0.00 0.52 -4.76 120.51 120.08 3g1h n ALA 138 Ca -0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 53.44 52.35 3g1h n ALA 138 Cb 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 3g1h n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1h h ALA 139 N 0.94 -0.23 -0.05 0.00 0.00 -0.61 0.34 119.26 119.65 3g1h h ALA 139 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g1h h ALA 139 Cb 0.53 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3g1h h ALA 139 CO 0.00 -0.68 0.02 -0.44 0.00 0.00 0.00 179.25 178.15 3g1h h ASP 140 N -0.30 0.07 -0.94 0.00 5.19 -1.86 0.84 116.42 119.42 3g1h h ASP 140 Ca 0.05 -0.19 0.06 0.00 -0.62 0.00 0.00 57.03 56.34 3g1h h ASP 140 Cb 0.37 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.80 3g1h h ASP 140 CO -0.17 0.24 0.61 -0.08 -3.12 0.00 0.00 179.24 176.72 3g1h h GLU 141 N -0.10 1.05 -0.03 3.56 4.81 -1.84 0.17 114.58 122.20 3g1h h GLU 141 Ca 0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3g1h h GLU 141 Cb 0.19 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 3g1h h GLU 141 CO -0.00 0.70 -0.00 0.82 -0.73 0.00 0.00 179.01 179.79 3g1h h ILE 142 N 1.09 1.27 -0.06 2.32 2.04 0.02 -0.16 117.51 124.03 3g1h h ILE 142 Ca 0.41 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3g1h h ILE 142 Cb 0.18 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3g1h h ILE 142 CO -0.15 0.22 -0.15 0.00 0.00 0.00 0.00 178.15 178.06 3g1h h ALA 143 N 0.68 -0.12 -0.67 1.87 0.00 -0.24 0.28 119.26 121.06 3g1h h ALA 143 Ca 0.01 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3g1h h ALA 143 Cb 0.35 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3g1h h ALA 143 CO 0.00 -0.62 0.28 0.00 0.00 0.00 0.00 179.25 178.91 3g1h h ARG 144 N -0.22 0.47 -0.57 0.00 3.08 -0.67 0.21 114.38 116.68 3g1h h ARG 144 Ca 0.07 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.19 3g1h h ARG 144 Cb 0.31 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 3g1h h ARG 144 CO -0.18 0.31 0.13 1.98 -1.07 0.00 0.00 179.97 181.13 3g1h h MET 145 N 0.48 0.26 -0.53 0.04 4.05 0.71 0.53 114.93 120.47 3g1h h MET 145 Ca 0.34 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.77 3g1h h MET 145 Cb 0.41 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.12 3g1h h MET 145 CO -0.31 0.17 0.32 0.78 0.23 0.00 0.00 176.91 178.10 3g1h h GLY 146 N 0.27 0.76 1.00 1.39 0.00 0.24 -1.86 103.07 104.87 3g1h h GLY 146 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3g1h h GLY 146 CO -0.37 0.20 0.18 -2.08 0.00 0.00 0.00 176.54 174.47 3g1h h VAL 147 N 0.63 1.07 0.00 4.60 2.07 0.80 0.52 116.25 125.95 3g1h h VAL 147 Ca 0.22 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3g1h h VAL 147 Cb 0.03 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3g1h h VAL 147 CO -0.10 0.07 -0.05 0.44 0.02 0.00 0.00 177.57 177.95 3g1h h ASP 148 N 0.37 0.00 1.30 0.57 3.32 -0.75 -1.80 116.42 119.43 3g1h h ASP 148 Ca 0.10 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3g1h h ASP 148 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3g1h h ASP 148 CO -0.02 0.05 -0.73 -0.07 -1.72 0.00 0.00 179.24 176.75 3g1h h LEU 149 N 0.00 0.00 0.00 1.55 3.38 -0.46 -3.48 115.31 116.30 3g1h h LEU 149 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g1h h LEU 149 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3g1h h LEU 149 CO 0.01 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.45 3g1h n GLY 150 N 1.23 1.21 3.75 0.83 0.00 -0.45 -5.08 105.19 106.68 3g1h n GLY 150 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3g1h n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1h s VAL 151 N -2.00 2.51 -0.19 1.61 1.01 0.04 -4.92 120.40 118.47 3g1h s VAL 151 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.46 3g1h s VAL 151 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3g1h s VAL 151 CO 0.00 0.07 0.18 0.29 0.00 0.00 0.00 175.10 175.64 3g1h n LYS 152 N 2.20 5.58 -5.04 2.72 5.02 -1.26 -4.57 118.16 122.81 3g1h n LYS 152 Ca 0.07 -0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 3g1h n LYS 152 Cb 0.40 -0.69 -0.16 0.00 -0.02 0.00 0.00 35.03 34.55 3g1h n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1h s ASN 153 N -1.35 2.53 0.18 4.39 0.01 -1.26 -0.41 114.94 119.03 3g1h s ASN 153 Ca 0.02 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 3g1h s ASN 153 Cb 0.03 -0.47 -0.05 0.00 0.41 0.00 0.00 41.25 41.18 3g1h s ASN 153 CO 0.16 0.23 0.03 -0.31 -1.51 0.00 0.00 177.10 175.70 3g1h s TYR 154 N -0.30 1.20 -0.11 2.20 1.51 0.10 -1.50 117.35 120.45 3g1h s TYR 154 Ca 0.03 -1.10 -0.02 0.00 -1.01 0.00 0.00 57.07 54.98 3g1h s TYR 154 Cb -0.10 -0.68 0.04 0.00 -0.11 0.00 0.00 41.96 41.10 3g1h s TYR 154 CO 0.01 -0.30 -0.00 0.08 -1.11 0.00 0.00 175.55 174.22 3g1h s VAL 155 N -3.76 0.50 0.31 0.71 1.01 -0.93 -1.21 120.40 117.04 3g1h s VAL 155 Ca 0.27 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.21 3g1h s VAL 155 Cb 0.07 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 3g1h s VAL 155 CO 0.05 0.16 -0.01 -0.83 0.00 0.00 0.00 175.10 174.47 3g1h s GLY 156 N 1.91 2.02 0.01 4.51 0.00 -0.83 -2.99 107.32 111.94 3g1h s GLY 156 Ca 0.04 -2.02 -0.30 0.00 0.00 0.00 0.00 44.72 42.43 3g1h s GLY 156 CO -0.06 -1.88 1.08 2.56 0.00 0.00 0.00 173.10 174.80 3g1h s PRO 157 N -3.77 4.49 0.27 2.90 0.04 -1.25 -3.37 135.00 134.30 3g1h s PRO 157 Ca 0.33 1.57 0.24 0.00 0.04 0.00 0.00 61.00 63.18 3g1h s PRO 157 Cb 0.06 -3.43 0.45 0.00 0.04 0.00 0.00 34.50 31.62 3g1h s PRO 157 CO 0.14 -0.18 1.53 1.03 0.04 0.00 0.00 177.00 179.57 3g1h h SER 158 N 6.88 0.00 0.60 6.66 0.87 -1.50 -3.17 113.55 123.89 3g1h h SER 158 Ca -0.40 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3g1h h SER 158 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3g1h h SER 158 CO 0.79 0.02 -0.04 0.35 -0.53 0.00 0.00 176.83 177.42 3g1h n THR 159 N -2.57 0.00 -3.17 2.23 -2.24 -1.26 -4.16 114.28 103.11 3g1h n THR 159 Ca 0.04 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 3g1h n THR 159 Cb 0.48 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 3g1h n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g1h n ARG 160 N -1.27 1.48 -0.31 -0.78 1.74 -1.20 -4.98 116.66 111.35 3g1h n ARG 160 Ca 0.13 -3.75 0.22 0.00 -0.77 0.00 0.00 57.85 53.68 3g1h n ARG 160 Cb 0.27 -1.74 0.42 0.00 -1.02 0.00 0.00 32.46 30.39 3g1h n ARG 160 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3g1h n PRO 161 N 0.52 -0.06 -0.18 5.56 -0.02 -1.26 0.11 135.00 139.67 3g1h n PRO 161 Ca 0.26 1.33 -0.10 0.00 -2.02 0.00 0.00 63.50 62.97 3g1h n PRO 161 Cb 0.55 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 3g1h n PRO 161 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3g1h h GLU 162 N 0.00 0.88 -0.38 -0.52 9.09 -1.94 0.10 114.58 121.82 3g1h h GLU 162 Ca 0.68 -0.27 -0.05 0.00 0.05 0.00 0.00 59.36 59.78 3g1h h GLU 162 Cb 1.65 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 28.66 3g1h h GLU 162 CO -0.79 0.90 0.06 0.00 0.05 0.00 0.00 179.01 179.24 3g1h h ARG 163 N 0.75 0.63 -0.64 1.06 2.47 0.34 -1.71 114.38 117.27 3g1h h ARG 163 Ca 0.15 -0.17 0.03 0.00 -1.26 0.00 0.00 59.98 58.73 3g1h h ARG 163 Cb 0.49 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 3g1h h ARG 163 CO 0.02 0.69 0.40 1.25 0.56 0.00 0.00 179.97 182.89 3g1h h LEU 164 N 0.47 0.64 -0.54 3.04 5.85 -0.51 0.54 115.31 124.81 3g1h h LEU 164 Ca 0.11 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3g1h h LEU 164 Cb 0.37 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3g1h h LEU 164 CO 0.01 0.45 0.25 -1.28 -0.34 0.00 0.00 178.44 177.53 3g1h h SER 165 N 0.78 0.34 -0.36 1.25 0.87 -0.45 -0.30 113.55 115.67 3g1h h SER 165 Ca 0.26 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 3g1h h SER 165 Cb 0.03 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3g1h h SER 165 CO -0.11 0.23 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.23 3g1h h ARG 166 N 0.49 0.71 -0.22 2.24 9.65 -0.56 -2.82 114.38 123.87 3g1h h ARG 166 Ca 0.25 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3g1h h ARG 166 Cb 0.19 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 3g1h h ARG 166 CO -0.19 0.86 0.14 1.25 2.80 0.00 0.00 179.97 184.83 3g1h h LEU 167 N 0.50 0.24 -0.96 3.80 7.12 -0.54 -2.35 115.31 123.12 3g1h h LEU 167 Ca 0.09 -0.01 0.12 0.00 0.13 0.00 0.00 57.88 58.22 3g1h h LEU 167 Cb 0.61 -0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.60 3g1h h LEU 167 CO 0.04 0.18 0.58 -0.09 -0.13 0.00 0.00 178.44 179.02 3g1h h ARG 168 N 0.29 0.87 0.00 1.25 9.65 -1.01 -0.46 114.38 124.97 3g1h h ARG 168 Ca 0.08 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3g1h h ARG 168 Cb -0.03 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.35 3g1h h ARG 168 CO -0.02 0.58 0.00 -0.85 2.80 0.00 0.00 179.97 182.48 3g1h n GLU 169 N -4.68 0.06 0.02 0.20 0.28 -0.97 -0.77 120.64 114.78 3g1h n GLU 169 Ca 0.18 0.07 -0.11 0.00 -0.16 0.00 0.00 57.16 57.15 3g1h n GLU 169 Cb 0.37 -1.58 -0.13 0.00 1.43 0.00 0.00 31.44 31.53 3g1h n GLU 169 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3g1h h ILE 170 N 0.00 1.14 0.00 3.84 2.04 -0.60 -3.36 117.51 120.57 3g1h h ILE 170 Ca 0.00 -2.90 -0.14 0.00 1.00 0.00 0.00 64.86 62.82 3g1h h ILE 170 Cb 0.54 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 3g1h h ILE 170 CO 0.00 0.71 -1.66 2.30 0.00 0.00 0.00 178.15 179.50 3g1h n ILE 171 N -3.24 0.86 0.00 -0.67 -5.35 -0.77 -4.88 119.36 105.31 3g1h n ILE 171 Ca -0.13 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 3g1h n ILE 171 Cb 1.02 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 3g1h n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g1h n GLY 172 N 1.39 0.84 0.00 3.28 0.00 0.05 -4.27 105.19 106.48 3g1h n GLY 172 Ca -0.11 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.19 3g1h n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g1h n GLN 173 N 1.02 0.13 0.09 1.61 10.64 -1.26 -3.04 117.38 126.57 3g1h n GLN 173 Ca 0.00 0.06 -0.01 0.00 -1.83 0.00 0.00 57.00 55.22 3g1h n GLN 173 Cb 0.00 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 27.84 3g1h n GLN 173 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 3g1h h ASP 174 N 0.00 0.00 -3.98 2.61 2.03 -1.95 -3.46 116.42 111.67 3g1h h ASP 174 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 3g1h h ASP 174 Cb 0.36 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 3g1h h ASP 174 CO 0.00 0.66 0.36 -0.44 -1.03 0.00 0.00 179.24 178.79 3g1h s SER 175 N -6.34 6.97 -0.12 4.15 0.01 -1.17 -5.03 113.70 112.17 3g1h s SER 175 Ca 0.01 1.84 -0.20 0.00 1.31 0.00 0.00 55.95 58.92 3g1h s SER 175 Cb 0.08 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 3g1h s SER 175 CO 0.78 -0.34 0.55 0.12 0.41 0.00 0.00 173.24 174.76 3g1h s PHE 176 N -1.86 3.51 -0.09 2.43 5.36 0.45 -4.97 117.98 122.81 3g1h s PHE 176 Ca 0.58 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 57.52 3g1h s PHE 176 Cb -0.16 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 3g1h s PHE 176 CO 0.20 0.10 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.85 3g1h s LEU 177 N 0.85 0.95 0.10 6.12 2.96 -1.26 0.00 118.68 128.40 3g1h s LEU 177 Ca 0.29 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 3g1h s LEU 177 Cb -0.16 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 3g1h s LEU 177 CO 0.12 -0.14 -0.09 0.27 -1.32 0.00 0.00 176.35 175.19 3g1h s ILE 178 N 1.71 3.45 -0.03 6.68 -4.36 -0.35 0.31 121.20 128.61 3g1h s ILE 178 Ca 0.03 -1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 59.19 3g1h s ILE 178 Cb -0.13 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 41.00 3g1h s ILE 178 CO -0.06 0.12 0.04 -0.55 0.24 0.00 0.00 174.94 174.73 3g1h s SER 179 N -2.19 0.51 0.36 4.36 0.15 -0.86 -1.97 113.70 114.05 3g1h s SER 179 Ca 0.22 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.92 3g1h s SER 179 Cb -0.11 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 3g1h s SER 179 CO 0.14 -0.17 0.14 -0.81 1.20 0.00 0.00 173.24 173.74 3g1h n PRO 180 N 4.61 0.61 -0.91 5.44 -0.04 -1.22 -0.73 135.00 142.76 3g1h n PRO 180 Ca -0.18 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 3g1h n PRO 180 Cb 0.50 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 3g1h n PRO 180 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g1h n GLY 181 N 3.91 0.47 3.75 0.55 0.00 -1.26 -1.39 105.19 111.22 3g1h n GLY 181 Ca 0.02 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3g1h n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1h s VAL 182 N -2.00 5.06 0.00 1.61 1.01 -1.26 0.92 120.40 125.73 3g1h s VAL 182 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3g1h s VAL 182 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3g1h s VAL 182 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3g1h n GLY 183 N 2.79 1.73 0.43 4.51 0.00 0.69 -4.17 105.19 111.18 3g1h n GLY 183 Ca -0.07 0.10 0.23 0.00 0.00 0.00 0.00 46.02 46.28 3g1h n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h h ALA 184 N -0.23 2.34 -0.01 4.61 0.00 -1.88 0.43 119.26 124.51 3g1h h ALA 184 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g1h h ALA 184 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3g1h h ALA 184 CO 0.00 -0.95 -0.28 1.04 0.00 0.00 0.00 179.25 179.06 3g1h n GLN 185 N -3.58 1.62 0.00 0.00 6.02 -1.26 -4.98 117.38 115.20 3g1h n GLN 185 Ca 0.12 -0.93 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 3g1h n GLN 185 Cb 0.86 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.84 3g1h n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g1h n GLY 186 N 1.12 1.69 3.73 1.08 0.00 0.15 -4.95 105.19 108.02 3g1h n GLY 186 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3g1h n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g1h s GLY 187 N -2.21 2.53 -0.21 -0.02 0.00 0.26 -4.60 107.32 103.07 3g1h s GLY 187 Ca 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 44.72 45.66 3g1h s GLY 187 CO 0.00 1.39 -0.03 -0.35 0.00 0.00 0.00 173.10 174.11 3g1h s ASP 188 N -1.81 4.46 0.09 1.64 2.15 -1.26 -0.22 116.67 121.71 3g1h s ASP 188 Ca 0.77 -0.33 -0.26 0.00 0.43 0.00 0.00 52.55 53.16 3g1h s ASP 188 Cb -0.31 -1.76 -0.10 0.00 -0.30 0.00 0.00 42.92 40.45 3g1h s ASP 188 CO 0.42 0.01 1.42 -0.65 -0.17 0.00 0.00 175.17 176.20 3g1h h PRO 189 N 7.86 -0.40 -0.48 4.34 0.11 -1.95 -0.52 132.00 140.95 3g1h h PRO 189 Ca -0.39 0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.84 3g1h h PRO 189 Cb 1.17 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3g1h h PRO 189 CO 0.60 -0.27 -0.04 0.78 -0.21 0.00 0.00 178.00 178.87 3g1h h GLY 190 N -0.42 0.45 1.97 -0.55 0.00 -1.96 -0.87 103.07 101.69 3g1h h GLY 190 Ca 0.03 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 3g1h h GLY 190 CO -0.35 -0.15 -0.39 0.83 0.00 0.00 0.00 176.54 176.48 3g1h h GLU 191 N 0.08 0.03 -0.20 4.80 4.39 -1.94 -3.11 114.58 118.63 3g1h h GLU 191 Ca 0.24 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 3g1h h GLU 191 Cb 0.36 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3g1h h GLU 191 CO -0.43 0.41 -0.26 1.15 -1.16 0.00 0.00 179.01 178.73 3g1h h THR 192 N 0.03 1.33 0.00 1.13 2.02 -0.14 -3.06 112.91 114.23 3g1h h THR 192 Ca -0.00 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3g1h h THR 192 Cb 0.70 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3g1h h THR 192 CO 0.05 0.45 0.00 0.18 0.37 0.00 0.00 175.52 176.57 3g1h n LEU 193 N -4.38 0.00 0.08 2.58 4.77 -0.42 -0.04 117.00 119.59 3g1h n LEU 193 Ca -0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 3g1h n LEU 193 Cb 0.45 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 3g1h n LEU 193 CO 0.43 0.00 0.04 0.03 -1.33 0.00 0.00 177.39 176.56 3g1h h ARG 194 N 0.00 0.12 0.00 3.23 3.08 -1.56 -3.37 114.38 115.88 3g1h h ARG 194 Ca 0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3g1h h ARG 194 Cb 0.00 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3g1h h ARG 194 CO 0.00 1.09 -1.21 1.19 -1.07 0.00 0.00 179.97 179.97 3g1h n PHE 195 N -3.43 0.00 -4.06 3.04 3.01 -0.68 -5.03 117.46 110.31 3g1h n PHE 195 Ca -0.04 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.09 3g1h n PHE 195 Cb 0.98 -0.11 -0.07 0.00 -0.01 0.00 0.00 39.48 40.28 3g1h n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g1h s ALA 196 N -2.31 3.65 0.04 4.37 0.00 0.95 -4.85 121.76 123.60 3g1h s ALA 196 Ca -0.02 -0.88 0.18 0.00 0.00 0.00 0.00 51.96 51.25 3g1h s ALA 196 Cb 0.03 -1.61 0.50 0.00 0.00 0.00 0.00 23.12 22.04 3g1h s ALA 196 CO 0.19 0.71 1.64 -0.44 0.00 0.00 0.00 175.76 177.86 3g1h h ASP 197 N 3.91 0.00 -3.70 0.00 3.32 -0.45 -3.39 116.42 116.10 3g1h h ASP 197 Ca -0.49 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.60 3g1h h ASP 197 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 3g1h h ASP 197 CO 0.64 0.39 0.41 0.00 -1.72 0.00 0.00 179.24 178.96 3g1h s ALA 198 N -3.37 -1.92 0.36 3.45 0.00 -1.19 -4.71 121.76 114.38 3g1h s ALA 198 Ca 0.02 1.78 0.02 0.00 0.00 0.00 0.00 51.96 53.77 3g1h s ALA 198 Cb 0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3g1h s ALA 198 CO 0.70 -0.28 0.55 0.96 0.00 0.00 0.00 175.76 177.69 3g1h s ILE 199 N -0.21 4.76 -0.13 0.00 -4.36 -0.41 -2.03 121.20 118.81 3g1h s ILE 199 Ca 0.00 -0.58 0.01 0.00 -0.26 0.00 0.00 60.65 59.82 3g1h s ILE 199 Cb -0.03 -3.73 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 3g1h s ILE 199 CO -0.02 -0.44 -0.15 -0.63 0.24 0.00 0.00 174.94 173.94 3g1h s ILE 200 N -2.32 2.78 -0.06 8.37 1.01 0.09 -1.15 121.20 129.91 3g1h s ILE 200 Ca 0.42 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.34 3g1h s ILE 200 Cb -0.10 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3g1h s ILE 200 CO 0.35 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.99 3g1h s VAL 201 N 0.50 1.22 0.00 2.92 1.01 -0.43 -4.12 120.40 121.50 3g1h s VAL 201 Ca -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3g1h s VAL 201 Cb -0.16 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3g1h s VAL 201 CO 0.05 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3g1h n GLY 202 N 3.66 0.69 0.35 4.51 0.00 -1.26 0.31 105.19 113.44 3g1h n GLY 202 Ca -0.22 -0.00 0.19 0.00 0.00 0.00 0.00 46.02 45.99 3g1h n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1h h ARG 203 N 0.00 0.53 0.00 1.61 3.08 -1.94 0.20 114.38 117.86 3g1h h ARG 203 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g1h h ARG 203 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3g1h h ARG 203 CO 0.00 0.35 0.00 0.43 -1.07 0.00 0.00 179.97 179.68 3g1h n SER 204 N -4.90 0.00 0.05 7.04 7.64 -1.26 -2.52 113.62 119.67 3g1h n SER 204 Ca 0.28 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.20 3g1h n SER 204 Cb 0.78 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 3g1h n SER 204 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3g1h n ILE 205 N -1.14 0.41 1.65 0.44 5.41 0.61 -4.64 119.36 122.10 3g1h n ILE 205 Ca 0.03 0.13 0.12 0.00 1.00 0.00 0.00 62.75 64.03 3g1h n ILE 205 Cb 0.02 -1.10 0.73 0.00 -0.71 0.00 0.00 39.64 38.59 3g1h n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1h n TYR 206 N -3.20 0.00 0.13 1.39 0.18 -0.62 -2.55 117.16 112.50 3g1h n TYR 206 Ca 0.00 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.79 3g1h n TYR 206 Cb 0.12 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.08 3g1h n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3g1h n LEU 207 N -0.97 0.86 -4.76 -3.48 4.77 -1.05 -5.01 117.00 107.36 3g1h n LEU 207 Ca 0.18 -0.82 -0.40 0.00 -0.03 0.00 0.00 56.01 54.94 3g1h n LEU 207 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3g1h n LEU 207 CO 0.14 0.19 0.58 0.00 -1.33 0.00 0.00 177.39 176.97 3g1h s ALA 208 N -0.62 3.38 0.56 -1.18 0.00 -1.06 -4.93 121.76 117.91 3g1h s ALA 208 Ca 0.03 0.51 0.32 0.00 0.00 0.00 0.00 51.96 52.82 3g1h s ALA 208 Cb 0.02 -3.11 1.47 0.00 0.00 0.00 0.00 23.12 21.51 3g1h s ALA 208 CO 0.07 0.22 1.82 -0.44 0.00 0.00 0.00 175.76 177.43 3g1h h ASP 209 N 4.36 0.00 -3.11 0.00 3.45 -1.95 -3.26 116.42 115.91 3g1h h ASP 209 Ca -0.46 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.42 3g1h h ASP 209 Cb 1.20 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.57 3g1h h ASP 209 CO 0.68 0.00 -0.76 0.21 -1.57 0.00 0.00 179.24 177.79 3g1h s ASN 210 N -5.20 3.83 0.07 6.45 3.84 -1.26 -5.04 114.94 117.62 3g1h s ASN 210 Ca -0.05 -1.77 -0.30 0.00 0.21 0.00 0.00 52.86 50.95 3g1h s ASN 210 Cb 0.20 -0.78 -0.15 0.00 -0.55 0.00 0.00 41.25 39.96 3g1h s ASN 210 CO 0.71 -0.39 1.47 -0.65 -2.79 0.00 0.00 177.10 175.44 3g1h h PRO 211 N 7.86 -0.89 -0.37 0.43 0.11 -1.74 -1.48 132.00 135.92 3g1h h PRO 211 Ca -0.11 0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.17 3g1h h PRO 211 Cb 1.00 0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3g1h h PRO 211 CO 0.45 -0.59 0.32 0.00 -0.21 0.00 0.00 178.00 177.97 3g1h h ALA 212 N -1.16 2.19 0.26 -0.75 0.00 -1.90 -1.07 119.26 116.83 3g1h h ALA 212 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3g1h h ALA 212 Cb 0.77 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3g1h h ALA 212 CO 0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 179.25 178.62 3g1h h ALA 213 N 1.71 -0.35 -0.99 0.00 0.00 -1.86 -1.75 119.26 116.02 3g1h h ALA 213 Ca 0.18 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.17 3g1h h ALA 213 Cb 0.81 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 3g1h h ALA 213 CO -0.00 -0.34 0.62 0.00 0.00 0.00 0.00 179.25 179.52 3g1h h ALA 214 N -0.94 1.87 -0.32 0.00 0.00 -0.87 0.52 119.26 119.52 3g1h h ALA 214 Ca -0.04 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3g1h h ALA 214 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3g1h h ALA 214 CO 0.06 -0.23 -0.29 0.00 0.00 0.00 0.00 179.25 178.79 3g1h h ALA 215 N 1.63 0.47 -0.22 0.00 0.00 -1.27 -2.84 119.26 117.03 3g1h h ALA 215 Ca 0.56 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3g1h h ALA 215 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3g1h h ALA 215 CO -0.32 0.49 -0.44 0.00 0.00 0.00 0.00 179.25 178.97 3g1h h ALA 216 N 0.73 0.82 -0.03 0.00 0.00 0.06 -3.07 119.26 117.77 3g1h h ALA 216 Ca 0.06 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3g1h h ALA 216 Cb 0.86 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3g1h h ALA 216 CO 0.07 0.66 0.02 0.78 0.00 0.00 0.00 179.25 180.78 3g1h h GLY 217 N 1.07 0.05 0.43 0.00 0.00 -0.03 -2.30 103.07 102.28 3g1h h GLY 217 Ca 0.03 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.45 3g1h h GLY 217 CO 0.08 0.02 0.42 -2.22 0.00 0.00 0.00 176.54 174.84 3g1h h ILE 218 N 0.00 0.84 -0.96 2.60 2.04 -1.51 -0.49 117.51 120.04 3g1h h ILE 218 Ca 0.01 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3g1h h ILE 218 Cb 0.04 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.17 3g1h h ILE 218 CO -0.00 0.12 0.63 0.40 0.00 0.00 0.00 178.15 179.30 3g1h h ILE 219 N 0.68 1.16 -0.33 -0.67 2.04 -1.39 -0.74 117.51 118.25 3g1h h ILE 219 Ca 0.40 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3g1h h ILE 219 Cb 0.43 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3g1h h ILE 219 CO -0.28 0.22 0.12 -0.33 0.00 0.00 0.00 178.15 177.87 3g1h h GLU 220 N 1.21 0.47 -0.24 2.37 4.39 -0.55 0.30 114.58 122.52 3g1h h GLU 220 Ca 0.39 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3g1h h GLU 220 Cb 0.01 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3g1h h GLU 220 CO -0.13 0.41 0.00 0.43 -1.16 0.00 0.00 179.01 178.56 3g1h n SER 221 N -4.39 0.59 0.00 1.42 7.64 -0.31 -3.31 113.62 115.26 3g1h n SER 221 Ca 0.02 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.88 3g1h n SER 221 Cb 0.15 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3g1h n SER 221 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3g1h n ILE 222 N -0.22 0.00 0.14 0.44 5.41 0.03 -4.51 119.36 120.65 3g1h n ILE 222 Ca 0.02 -0.03 0.07 0.00 1.00 0.00 0.00 62.75 63.82 3g1h n ILE 222 Cb 0.11 0.33 0.38 0.00 -0.71 0.00 0.00 39.64 39.76 3g1h n ILE 222 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3g1h n LYS 223 N -0.37 0.09 -0.08 0.38 5.02 0.83 -0.33 118.16 123.69 3g1h n LYS 223 Ca 0.00 0.56 -0.01 0.00 -2.02 0.00 0.00 58.31 56.84 3g1h n LYS 223 Cb 0.00 -2.00 0.02 0.00 -0.02 0.00 0.00 35.03 33.03 3g1h n LYS 223 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3g1h n ASP 224 N -2.03 2.50 0.00 4.39 8.00 -1.26 -5.12 116.55 123.03 3g1h n ASP 224 Ca -0.01 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.39 3g1h n ASP 224 Cb 0.21 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3g1h n ASP 224 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99