#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 3.72 -0.22 6.12 2.15 -1.26 -5.09 116.67 122.09 3g1h s ASP 10 Ca 0.00 -0.48 -0.03 0.00 0.43 0.00 0.00 52.55 52.47 3g1h s ASP 10 Cb 0.00 -1.59 0.00 0.00 -0.30 0.00 0.00 42.92 41.03 3g1h s ASP 10 CO 0.00 0.04 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.30 3g1h s VAL 11 N 1.06 3.16 0.02 1.11 1.01 -1.26 -4.98 120.40 120.51 3g1h s VAL 11 Ca -0.00 -0.65 -0.33 0.00 0.00 0.00 0.00 61.98 61.00 3g1h s VAL 11 Cb -0.15 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.65 3g1h s VAL 11 CO -0.03 0.38 1.84 0.80 0.00 0.00 0.00 175.10 178.08 3g1h n MET 12 N 4.76 2.41 -0.97 2.72 1.56 -1.26 -1.01 117.12 125.32 3g1h n MET 12 Ca -0.18 0.88 0.00 0.00 -0.27 0.00 0.00 57.70 58.13 3g1h n MET 12 Cb 0.50 -2.74 0.00 0.00 2.15 0.00 0.00 33.22 33.13 3g1h n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g1h n ASN 13 N 6.04 -3.98 -1.50 6.12 4.13 -1.26 -3.11 115.26 121.70 3g1h n ASN 13 Ca 0.20 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.27 3g1h n ASN 13 Cb 0.33 -1.97 -0.08 0.00 -1.54 0.00 0.00 39.78 36.51 3g1h n ASN 13 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3g1h n ARG 14 N -1.05 -1.49 -4.01 3.52 1.74 -0.18 -4.94 116.66 110.25 3g1h n ARG 14 Ca 0.00 1.18 -0.34 0.00 -0.77 0.00 0.00 57.85 57.92 3g1h n ARG 14 Cb 0.23 -5.57 -0.15 0.00 -1.02 0.00 0.00 32.46 25.95 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 -4.44 2.98 -0.11 0.55 2.96 -1.18 -0.26 118.68 119.18 3g1h s LEU 15 Ca 0.00 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 52.98 3g1h s LEU 15 Cb 0.00 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3g1h s LEU 15 CO 0.00 -0.10 0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 3g1h s ILE 16 N 1.29 5.21 -0.21 6.68 1.01 -0.05 -4.55 121.20 130.59 3g1h s ILE 16 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 3g1h s ILE 16 Cb -0.16 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3g1h s ILE 16 CO -0.06 0.62 0.17 -0.22 0.00 0.00 0.00 174.94 175.44 3g1h s LEU 17 N -0.98 4.18 -0.63 2.97 2.96 -0.67 -1.71 118.68 124.80 3g1h s LEU 17 Ca 0.14 0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 54.13 3g1h s LEU 17 Cb -0.12 -2.14 0.14 0.00 0.50 0.00 0.00 46.19 44.58 3g1h s LEU 17 CO 0.04 0.13 0.64 0.00 -1.32 0.00 0.00 176.35 175.83 3g1h s ALA 18 N 0.61 3.68 -0.91 5.97 0.00 -0.41 0.10 121.76 130.80 3g1h s ALA 18 Ca 0.09 -2.65 -0.22 0.00 0.00 0.00 0.00 51.96 49.18 3g1h s ALA 18 Cb -0.12 -3.42 0.07 0.00 0.00 0.00 0.00 23.12 19.65 3g1h s ALA 18 CO 0.01 -2.20 1.27 1.41 0.00 0.00 0.00 175.76 176.25 3g1h s MET 19 N 1.58 3.48 -0.00 0.00 1.75 -0.36 -4.50 119.30 121.25 3g1h s MET 19 Ca 0.10 -1.16 0.14 0.00 -1.25 0.00 0.00 55.69 53.51 3g1h s MET 19 Cb -0.23 -4.93 0.40 0.00 2.84 0.00 0.00 34.83 32.92 3g1h s MET 19 CO 0.01 -2.02 1.34 -0.25 -0.65 0.00 0.00 175.02 173.44 3g1h n ASP 20 N 8.10 3.23 -4.75 1.11 8.00 -1.26 -4.39 116.55 126.58 3g1h n ASP 20 Ca 0.22 -2.00 -0.38 0.00 0.71 0.00 0.00 54.79 53.33 3g1h n ASP 20 Cb 0.49 -0.31 0.05 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.01 3.79 -0.09 0.64 1.43 -1.26 -4.60 118.68 117.58 3g1h s LEU 21 Ca 0.31 2.75 0.18 0.00 -1.03 0.00 0.00 54.13 56.34 3g1h s LEU 21 Cb 0.16 -4.34 0.67 0.00 0.03 0.00 0.00 46.19 42.71 3g1h s LEU 21 CO 0.21 -1.67 1.58 0.23 0.23 0.00 0.00 176.35 176.92 3g1h n MET 22 N -1.21 3.50 -3.79 1.70 2.81 -1.26 -4.33 117.12 114.54 3g1h n MET 22 Ca 0.11 -2.79 -0.23 0.00 -1.81 0.00 0.00 57.70 52.98 3g1h n MET 22 Cb 0.45 -1.80 -0.17 0.00 -0.71 0.00 0.00 33.22 30.99 3g1h n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g1h s ASN 23 N -1.00 1.63 0.13 7.83 2.20 -1.26 -4.73 114.94 119.73 3g1h s ASN 23 Ca 0.48 -0.10 -0.08 0.00 -0.94 0.00 0.00 52.86 52.21 3g1h s ASN 23 Cb 0.30 -0.47 0.15 0.00 -2.00 0.00 0.00 41.25 39.23 3g1h s ASN 23 CO 0.24 -0.19 0.82 -1.14 -2.94 0.00 0.00 177.10 173.89 3g1h n ARG 24 N 5.11 -0.11 -0.07 3.55 0.63 -1.26 -1.29 116.66 123.22 3g1h n ARG 24 Ca -0.08 0.81 -0.07 0.00 -0.92 0.00 0.00 57.85 57.60 3g1h n ARG 24 Cb 0.50 -1.21 -0.01 0.00 0.45 0.00 0.00 32.46 32.19 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 -0.41 -0.18 6.15 3.45 -1.99 0.31 116.42 123.75 3g1h h ASP 25 Ca 0.19 0.10 -0.11 0.00 0.43 0.00 0.00 57.03 57.65 3g1h h ASP 25 Cb 0.33 0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3g1h h ASP 25 CO -0.53 -0.15 -0.30 0.44 -1.57 0.00 0.00 179.24 177.13 3g1h h ASP 26 N -0.08 0.58 -0.59 6.45 3.32 -1.62 -2.32 116.42 122.16 3g1h h ASP 26 Ca 0.14 -0.53 0.07 0.00 0.02 0.00 0.00 57.03 56.74 3g1h h ASP 26 Cb 0.29 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3g1h h ASP 26 CO -0.33 1.00 0.27 0.00 -1.72 0.00 0.00 179.24 178.46 3g1h h ALA 27 N 0.60 0.77 -0.49 3.45 0.00 -1.21 -0.85 119.26 121.53 3g1h h ALA 27 Ca 0.01 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3g1h h ALA 27 Cb 0.89 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3g1h h ALA 27 CO 0.07 -0.12 -0.00 -0.07 0.00 0.00 0.00 179.25 179.13 3g1h h LEU 28 N 0.49 0.80 -0.11 0.00 3.38 -0.94 -1.31 115.31 117.62 3g1h h LEU 28 Ca 0.28 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3g1h h LEU 28 Cb 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3g1h h LEU 28 CO -0.24 0.86 -0.05 -0.09 0.09 0.00 0.00 178.44 179.02 3g1h h ARG 29 N 0.77 0.22 -0.25 1.13 2.43 -0.71 -1.78 114.38 116.19 3g1h h ARG 29 Ca 0.15 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3g1h h ARG 29 Cb 0.47 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3g1h h ARG 29 CO 0.02 0.56 -0.43 0.28 -1.51 0.00 0.00 179.97 178.89 3g1h h VAL 30 N -0.13 1.30 -0.50 0.20 2.07 -1.20 -1.63 116.25 116.36 3g1h h VAL 30 Ca 0.02 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 3g1h h VAL 30 Cb 0.49 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3g1h h VAL 30 CO 0.01 0.51 0.08 0.74 0.02 0.00 0.00 177.57 178.94 3g1h h THR 31 N 0.50 1.25 -0.66 2.57 2.02 -1.27 -2.88 112.91 114.43 3g1h h THR 31 Ca 0.04 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 3g1h h THR 31 Cb 0.95 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3g1h h THR 31 CO 0.09 0.33 0.27 1.23 0.37 0.00 0.00 175.52 177.81 3g1h h GLY 32 N 0.71 1.06 1.40 2.16 0.00 -1.17 -1.95 103.07 105.28 3g1h h GLY 32 Ca 0.15 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 46.95 3g1h h GLY 32 CO 0.01 0.54 0.32 0.83 0.00 0.00 0.00 176.54 178.24 3g1h h GLU 33 N 0.93 0.52 -0.02 4.80 5.08 -1.10 -2.83 114.58 121.97 3g1h h GLU 33 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3g1h h GLU 33 Cb 0.19 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3g1h h GLU 33 CO -0.02 0.34 -0.26 1.33 -1.00 0.00 0.00 179.01 179.40 3g1h n VAL 34 N -4.47 0.00 -0.34 3.13 0.24 -1.11 -4.54 118.33 111.24 3g1h n VAL 34 Ca 0.06 -0.37 0.36 0.00 -2.04 0.00 0.00 64.34 62.35 3g1h n VAL 34 Cb 0.16 1.33 0.74 0.00 -1.47 0.00 0.00 33.84 34.60 3g1h n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3g1h h ARG 35 N 3.07 0.00 0.00 7.34 9.65 -1.09 0.86 114.38 134.21 3g1h h ARG 35 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3g1h h ARG 35 Cb 0.78 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 3g1h h ARG 35 CO 0.00 0.00 0.00 -0.85 2.80 0.00 0.00 179.97 181.92 3g1h n GLU 36 N -4.05 0.22 -0.09 0.20 0.28 -1.26 -3.57 120.64 112.37 3g1h n GLU 36 Ca 0.27 0.29 -0.11 0.00 -0.16 0.00 0.00 57.16 57.45 3g1h n GLU 36 Cb 1.33 -1.81 -0.11 0.00 1.43 0.00 0.00 31.44 32.29 3g1h n GLU 36 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3g1h n TYR 37 N -2.20 0.00 -4.99 -1.84 4.02 0.29 -5.00 117.16 107.44 3g1h n TYR 37 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.64 3g1h n TYR 37 Cb 0.34 -0.76 -0.15 0.00 -0.02 0.00 0.00 39.34 38.75 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 -2.38 1.91 0.00 -0.72 -5.25 -0.44 -4.55 121.20 109.77 3g1h s ILE 38 Ca -0.18 -1.16 0.00 0.00 -0.99 0.00 0.00 60.65 58.32 3g1h s ILE 38 Cb 0.06 -1.61 0.00 0.00 2.95 0.00 0.00 42.46 43.85 3g1h s ILE 38 CO 0.54 0.41 0.55 -0.90 -1.79 0.00 0.00 174.94 173.75 3g1h n ASP 39 N 2.15 1.09 -3.98 4.36 5.75 -1.26 -4.37 116.55 120.28 3g1h n ASP 39 Ca -0.16 -1.17 -0.29 0.00 -0.01 0.00 0.00 54.79 53.16 3g1h n ASP 39 Cb 0.52 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.17 1.39 -0.12 2.12 2.01 -1.26 -1.46 115.64 118.15 3g1h s THR 40 Ca 0.00 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.46 3g1h s THR 40 Cb 0.00 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 3g1h s THR 40 CO 0.00 0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.45 3g1h s VAL 41 N 1.55 2.53 -0.32 3.82 1.01 -0.28 -1.68 120.40 127.03 3g1h s VAL 41 Ca 0.04 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 3g1h s VAL 41 Cb -0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3g1h s VAL 41 CO -0.10 0.54 0.48 -0.75 0.00 0.00 0.00 175.10 175.27 3g1h s LYS 42 N 0.48 3.76 -0.15 2.72 2.20 0.29 -1.34 119.74 127.68 3g1h s LYS 42 Ca -0.13 -0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.39 3g1h s LYS 42 Cb -0.17 -3.76 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3g1h s LYS 42 CO 0.05 -0.53 -0.04 0.42 -0.36 0.00 0.00 175.35 174.90 3g1h s ILE 43 N 2.31 3.89 0.00 5.43 1.01 0.12 -1.22 121.20 132.74 3g1h s ILE 43 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3g1h s ILE 43 Cb -0.16 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3g1h s ILE 43 CO 0.12 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.16 3g1h n GLY 44 N 3.51 4.72 0.26 6.18 0.00 -1.26 -0.67 105.19 117.94 3g1h n GLY 44 Ca -0.17 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 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 0.55 0.92 -0.77 1.61 0.99 -1.97 -2.24 116.97 116.07 3g1h h TYR 45 Ca 0.00 -0.23 0.17 0.00 2.00 0.00 0.00 58.73 60.67 3g1h h TYR 45 Cb 0.00 -0.21 -0.13 0.00 1.00 0.00 0.00 36.73 37.38 3g1h h TYR 45 CO 0.00 0.99 -0.01 -1.35 -0.00 0.00 0.00 178.16 177.78 3g1h h PRO 46 N 0.68 0.09 0.01 4.88 0.11 -1.95 0.27 132.00 136.09 3g1h h PRO 46 Ca 0.08 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 3g1h h PRO 46 Cb 0.82 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3g1h h PRO 46 CO 0.07 0.06 -0.01 1.25 -0.21 0.00 0.00 178.00 179.16 3g1h h LEU 47 N 0.09 -0.01 -1.49 2.35 5.85 -1.74 -3.18 115.31 117.18 3g1h h LEU 47 Ca 0.42 -0.79 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 3g1h h LEU 47 Cb 0.73 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3g1h h LEU 47 CO -0.69 0.82 0.28 0.58 -0.34 0.00 0.00 178.44 179.09 3g1h h VAL 48 N -0.90 1.13 -0.01 1.05 2.07 -0.97 0.42 116.25 119.04 3g1h h VAL 48 Ca -0.00 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.04 3g1h h VAL 48 Cb 0.80 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3g1h h VAL 48 CO 0.00 0.14 -0.79 -0.07 0.02 0.00 0.00 177.57 176.87 3g1h h LEU 49 N 0.63 0.20 -0.10 2.57 3.38 -0.63 0.24 115.31 121.61 3g1h h LEU 49 Ca 0.17 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 3g1h h LEU 49 Cb -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3g1h h LEU 49 CO -0.03 0.91 -0.89 0.28 0.09 0.00 0.00 178.44 178.80 3g1h h SER 50 N 0.10 0.00 0.00 -0.43 0.02 -1.35 -3.38 113.55 108.51 3g1h h SER 50 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3g1h h SER 50 Cb 1.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.93 3g1h h SER 50 CO 0.12 0.89 0.00 -0.62 -1.14 0.00 0.00 176.83 176.08 3g1h n GLU 51 N -3.39 6.12 0.00 3.45 -0.58 0.07 -4.97 120.64 121.35 3g1h n GLU 51 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3g1h n GLU 51 Cb 0.87 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 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 0.89 0.80 0.34 0.62 0.00 0.85 -4.61 105.19 104.09 3g1h n GLY 52 Ca 0.00 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 0.56 -0.02 1.61 2.86 -1.95 -2.27 114.93 115.72 3g1h h MET 53 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3g1h h MET 53 Cb 0.00 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 3g1h h MET 53 CO 0.00 0.37 0.34 -0.44 1.06 0.00 0.00 176.91 178.24 3g1h h ASP 54 N 0.57 0.00 -0.24 1.22 3.32 -1.93 -0.29 116.42 119.08 3g1h h ASP 54 Ca 0.26 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.38 3g1h h ASP 54 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3g1h h ASP 54 CO -0.08 0.00 0.23 -0.29 -1.72 0.00 0.00 179.24 177.38 3g1h h ILE 55 N 0.00 0.55 0.42 0.35 6.09 -1.66 -2.00 117.51 121.26 3g1h h ILE 55 Ca 0.01 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.48 3g1h h ILE 55 Cb 0.69 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.81 3g1h h ILE 55 CO -0.00 0.00 -0.20 0.40 -3.07 0.00 0.00 178.15 175.28 3g1h h ILE 56 N 0.00 0.35 -0.34 2.19 2.04 -1.29 -1.20 117.51 119.27 3g1h h ILE 56 Ca 0.11 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.45 3g1h h ILE 56 Cb 0.57 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3g1h h ILE 56 CO -0.00 0.07 0.24 0.00 0.00 0.00 0.00 178.15 178.46 3g1h h ALA 57 N -0.75 2.20 0.12 1.87 0.00 -1.55 -0.28 119.26 120.87 3g1h h ALA 57 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3g1h h ALA 57 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3g1h h ALA 57 CO 0.09 -0.29 -0.06 1.49 0.00 0.00 0.00 179.25 180.49 3g1h h GLU 58 N 0.09 -0.16 -0.82 0.00 4.81 -1.31 -2.70 114.58 114.50 3g1h h GLU 58 Ca 0.16 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.54 3g1h h GLU 58 Cb 0.51 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.84 3g1h h GLU 58 CO -0.02 0.15 0.40 0.74 -0.73 0.00 0.00 179.01 179.56 3g1h h PHE 59 N -0.47 0.70 0.00 0.92 -1.00 0.20 -3.08 116.94 114.21 3g1h h PHE 59 Ca -0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3g1h h PHE 59 Cb 0.38 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.75 3g1h h PHE 59 CO 0.03 0.16 0.00 0.54 -1.61 0.00 0.00 178.31 177.42 3g1h n ARG 60 N -4.90 0.00 -0.59 1.51 1.74 -0.65 -1.43 116.66 112.35 3g1h n ARG 60 Ca 0.16 0.32 -0.07 0.00 -0.77 0.00 0.00 57.85 57.49 3g1h n ARG 60 Cb 0.42 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 3g1h n ARG 60 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3g1h n LYS 61 N -1.45 1.18 0.00 5.56 5.02 -1.03 0.21 118.16 127.65 3g1h n LYS 61 Ca 0.00 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 3g1h n LYS 61 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 3g1h n LYS 61 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3g1h n ARG 62 N 2.66 0.05 0.00 1.97 0.63 -1.17 -4.91 116.66 115.90 3g1h n ARG 62 Ca 0.25 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 3g1h n ARG 62 Cb 0.54 -0.03 0.00 0.00 0.45 0.00 0.00 32.46 33.42 3g1h n ARG 62 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3g1h n PHE 63 N -0.44 0.00 -1.64 -0.14 3.01 -0.51 -5.02 117.46 112.72 3g1h n PHE 63 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 3g1h n PHE 63 Cb 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 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 0.40 1.75 3.90 1.37 0.00 0.56 -4.95 105.19 108.21 3g1h n GLY 64 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.17 4.24 -0.14 0.00 1.81 -0.54 -4.61 118.95 115.54 3g1h s ARG 66 Ca 0.47 1.08 0.02 0.00 -1.72 0.00 0.00 55.73 55.58 3g1h s ARG 66 Cb -0.10 -2.30 0.01 0.00 -0.45 0.00 0.00 34.95 32.10 3g1h s ARG 66 CO 0.37 0.04 -0.21 0.42 -0.68 0.00 0.00 175.30 175.24 3g1h s ILE 67 N -2.07 2.16 -0.26 1.52 -1.09 -1.26 -1.13 121.20 119.07 3g1h s ILE 67 Ca 0.59 -0.94 -0.06 0.00 -2.23 0.00 0.00 60.65 58.01 3g1h s ILE 67 Cb -0.10 -1.87 -0.00 0.00 -1.58 0.00 0.00 42.46 38.90 3g1h s ILE 67 CO 0.15 0.54 0.03 -0.63 -1.23 0.00 0.00 174.94 173.80 3g1h s ILE 68 N 0.84 3.80 -0.53 2.92 1.01 -0.45 -0.18 121.20 128.61 3g1h s ILE 68 Ca -0.06 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 3g1h s ILE 68 Cb -0.15 -2.84 0.04 0.00 0.01 0.00 0.00 42.46 39.51 3g1h s ILE 68 CO -0.02 0.26 0.94 0.00 0.00 0.00 0.00 174.94 176.11 3g1h s ALA 69 N 1.51 3.18 -1.34 9.38 0.00 0.72 -0.70 121.76 134.50 3g1h s ALA 69 Ca 0.04 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 3g1h s ALA 69 Cb -0.16 -3.71 0.10 0.00 0.00 0.00 0.00 23.12 19.36 3g1h s ALA 69 CO 0.01 -2.30 1.91 -3.47 0.00 0.00 0.00 175.76 171.91 3g1h n ASP 70 N 7.39 4.65 -0.17 0.00 -0.08 0.16 -1.64 116.55 126.85 3g1h n ASP 70 Ca 0.03 -2.96 0.11 0.00 -1.51 0.00 0.00 54.79 50.46 3g1h n ASP 70 Cb 0.48 -1.61 0.02 0.00 2.34 0.00 0.00 41.12 42.35 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 -4.12 -0.67 0.99 -1.26 -4.27 117.46 113.87 3g1h n PHE 71 Ca 0.45 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.62 3g1h n PHE 71 Cb 0.40 -0.05 -0.06 0.00 -1.00 0.00 0.00 39.48 38.77 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 -1.00 -2.23 -1.65 -1.08 5.02 -0.15 -4.73 118.16 112.35 3g1h n LYS 72 Ca 0.07 0.26 -0.56 0.00 -2.02 0.00 0.00 58.31 56.06 3g1h n LYS 72 Cb 0.37 -4.11 -0.07 0.00 -0.02 0.00 0.00 35.03 31.21 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 0.14 -2.71 -0.18 0.31 -1.07 -4.28 118.33 106.06 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 -0.95 0.06 0.00 -0.91 0.00 0.00 33.84 32.73 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 3.82 2.46 -3.90 3.52 0.00 -1.26 -0.76 120.51 124.38 3g1h n ALA 74 Ca 0.23 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 51.17 3g1h n ALA 74 Cb 0.15 -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 -0.19 1.99 -4.81 0.00 -0.08 -1.26 -4.97 116.55 107.22 3g1h n ASP 75 Ca 0.06 -0.91 -0.31 0.00 -1.51 0.00 0.00 54.79 52.13 3g1h n ASP 75 Cb 0.81 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.34 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 -0.83 3.57 0.18 5.18 -4.36 -1.26 -4.74 121.20 118.94 3g1h s ILE 76 Ca 0.00 0.51 -0.21 0.00 -0.26 0.00 0.00 60.65 60.69 3g1h s ILE 76 Cb 0.00 -3.24 0.11 0.00 1.25 0.00 0.00 42.46 40.58 3g1h s ILE 76 CO 0.00 -0.67 1.60 -0.65 0.24 0.00 0.00 174.94 175.46 3g1h h PRO 77 N -0.90 -0.17 -0.51 0.37 0.11 -1.87 -0.73 132.00 128.31 3g1h h PRO 77 Ca -0.45 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.77 3g1h h PRO 77 Cb 1.24 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 3g1h h PRO 77 CO 0.58 -0.11 0.02 0.93 -0.21 0.00 0.00 178.00 179.21 3g1h h GLU 78 N -0.18 0.14 -0.16 1.05 3.07 -1.94 -1.74 114.58 114.81 3g1h h GLU 78 Ca 0.21 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.88 3g1h h GLU 78 Cb 0.53 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3g1h h GLU 78 CO -0.60 0.09 -0.64 1.15 -1.40 0.00 0.00 179.01 177.61 3g1h h THR 79 N 0.14 1.32 -0.71 1.13 2.02 -1.84 -3.04 112.91 111.94 3g1h h THR 79 Ca 0.26 -1.91 0.05 0.00 0.77 0.00 0.00 66.41 65.58 3g1h h THR 79 Cb 0.38 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 3g1h h THR 79 CO -0.40 0.60 0.47 0.78 0.37 0.00 0.00 175.52 177.33 3g1h h ASN 80 N 0.44 0.67 -0.40 4.18 4.21 -0.65 -1.84 115.58 122.20 3g1h h ASN 80 Ca -0.01 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3g1h h ASN 80 Cb 1.22 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 38.26 3g1h h ASN 80 CO 0.12 0.44 0.25 -0.33 -1.29 0.00 0.00 177.43 176.63 3g1h h GLU 81 N 0.77 0.53 -0.58 0.81 5.08 -1.21 -1.47 114.58 118.52 3g1h h GLU 81 Ca 0.30 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3g1h h GLU 81 Cb 0.20 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3g1h h GLU 81 CO -0.09 0.37 0.17 0.87 -1.00 0.00 0.00 179.01 179.32 3g1h h LYS 82 N 0.53 0.91 0.40 2.33 1.57 -1.39 -0.21 116.57 120.71 3g1h h LYS 82 Ca 0.14 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3g1h h LYS 82 Cb -0.04 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3g1h h LYS 82 CO -0.03 0.83 -0.19 0.82 -0.57 0.00 0.00 179.45 180.31 3g1h h ILE 83 N 0.82 0.61 -0.91 1.86 2.04 -1.11 -0.36 117.51 120.46 3g1h h ILE 83 Ca 0.18 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3g1h h ILE 83 Cb 0.31 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3g1h h ILE 83 CO -0.00 0.04 0.60 0.00 0.00 0.00 0.00 178.15 178.79 3g1h h ARG 85 N 1.23 -0.48 -0.66 0.00 2.43 -0.82 0.72 114.38 116.81 3g1h h ARG 85 Ca 0.33 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 3g1h h ARG 85 Cb -0.14 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3g1h h ARG 85 CO -0.07 -0.32 0.26 0.00 -1.51 0.00 0.00 179.97 178.33 3g1h h ALA 86 N 0.15 1.21 -0.09 2.80 0.00 -0.72 0.04 119.26 122.66 3g1h h ALA 86 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3g1h h ALA 86 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3g1h h ALA 86 CO 0.07 0.57 -0.00 1.15 0.00 0.00 0.00 179.25 181.04 3g1h h THR 87 N 0.95 1.25 -0.34 0.00 2.02 -0.28 -1.27 112.91 115.24 3g1h h THR 87 Ca 0.22 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 3g1h h THR 87 Cb 0.19 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3g1h h THR 87 CO -0.02 0.22 -0.00 -0.26 0.37 0.00 0.00 175.52 175.83 3g1h h PHE 88 N -0.12 0.66 -0.27 3.16 0.04 -0.76 -2.02 116.94 117.63 3g1h h PHE 88 Ca 0.03 -0.12 0.08 0.00 2.80 0.00 0.00 57.97 60.76 3g1h h PHE 88 Cb 0.35 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3g1h h PHE 88 CO 0.03 0.72 0.28 -0.22 -0.60 0.00 0.00 178.31 178.52 3g1h h LYS 89 N 0.41 0.00 -0.02 1.51 3.64 -0.93 1.04 116.57 122.22 3g1h h LYS 89 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3g1h h LYS 89 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3g1h h LYS 89 CO 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.20 3g1h n ALA 90 N -2.35 2.64 -0.39 5.00 0.00 -0.48 -4.89 120.51 120.03 3g1h n ALA 90 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3g1h n ALA 90 Cb 0.43 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.02 0.80 3.74 0.00 0.00 0.36 -3.71 105.19 107.39 3g1h n GLY 91 Ca 0.21 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.28 0.19 4.61 0.00 -1.10 -4.80 121.76 121.95 3g1h s ALA 92 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.61 3g1h s ALA 92 Cb 0.00 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.95 3g1h s ALA 92 CO 0.00 0.05 1.44 -0.44 0.00 0.00 0.00 175.76 176.81 3g1h h ASP 93 N 5.05 0.20 -5.05 0.00 3.32 -0.93 -3.42 116.42 115.58 3g1h h ASP 93 Ca -0.44 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 3g1h h ASP 93 Cb 1.21 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 3g1h h ASP 93 CO 0.70 0.90 -0.06 0.00 -1.72 0.00 0.00 179.24 179.07 3g1h s ALA 94 N -3.34 -1.03 -0.05 3.45 0.00 -1.00 -2.09 121.76 117.70 3g1h s ALA 94 Ca -0.03 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.15 3g1h s ALA 94 Cb 0.11 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 3g1h s ALA 94 CO 0.81 -0.57 -0.16 -1.50 0.00 0.00 0.00 175.76 174.34 3g1h s ILE 95 N -3.17 1.36 -0.21 0.00 2.07 -0.38 -0.20 121.20 120.68 3g1h s ILE 95 Ca -0.01 -0.67 -0.23 0.00 -1.41 0.00 0.00 60.65 58.33 3g1h s ILE 95 Cb 0.01 -1.18 -0.02 0.00 0.13 0.00 0.00 42.46 41.40 3g1h s ILE 95 CO -0.07 0.40 0.73 -0.63 -1.91 0.00 0.00 174.94 173.46 3g1h s ILE 96 N 0.13 4.93 -0.04 2.00 1.01 -0.65 -0.97 121.20 127.62 3g1h s ILE 96 Ca -0.06 1.40 0.02 0.00 0.00 0.00 0.00 60.65 62.01 3g1h s ILE 96 Cb -0.12 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3g1h s ILE 96 CO 0.02 0.03 -0.08 -0.69 0.00 0.00 0.00 174.94 174.23 3g1h s VAL 97 N 2.27 3.59 0.32 2.92 1.01 0.21 -0.98 120.40 129.75 3g1h s VAL 97 Ca 0.33 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 3g1h s VAL 97 Cb -0.16 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 3g1h s VAL 97 CO 0.10 0.53 0.97 -1.00 0.00 0.00 0.00 175.10 175.70 3g1h s HIS 98 N -0.86 3.64 -0.07 5.22 3.76 0.06 -0.73 115.29 126.31 3g1h s HIS 98 Ca 0.14 1.77 0.22 0.00 -0.15 0.00 0.00 55.06 57.03 3g1h s HIS 98 Cb -0.11 -2.99 -0.28 0.00 1.11 0.00 0.00 32.58 30.31 3g1h s HIS 98 CO 0.03 0.03 0.55 0.41 -0.85 0.00 0.00 174.74 174.91 3g1h n GLY 99 N 0.67 -1.08 0.29 -2.22 0.00 -1.15 -4.50 105.19 97.21 3g1h n GLY 99 Ca 0.02 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.66 3g1h n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g1h h PHE 100 N 0.00 0.55 0.00 1.61 3.57 -1.93 -1.99 116.94 118.75 3g1h h PHE 100 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3g1h h PHE 100 Cb 1.09 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3g1h h PHE 100 CO 0.00 0.03 0.01 -2.30 -2.23 0.00 0.00 178.31 173.82 3g1h n PRO 101 N -5.02 0.02 0.00 6.41 -0.02 -1.26 -4.96 135.00 130.16 3g1h n PRO 101 Ca 0.17 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3g1h n PRO 101 Cb 0.49 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3g1h n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1h n GLY 102 N -1.46 1.58 0.24 -1.23 0.00 -0.75 -4.68 105.19 98.89 3g1h n GLY 102 Ca -0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 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 0.48 -0.38 4.61 0.00 -1.93 -2.99 119.26 119.05 3g1h h ALA 103 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3g1h h ALA 103 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3g1h h ALA 103 CO 0.00 0.56 0.10 0.38 0.00 0.00 0.00 179.25 180.30 3g1h h ASP 104 N 0.60 0.50 -0.39 0.00 2.03 -1.99 0.29 116.42 117.46 3g1h h ASP 104 Ca 0.05 -0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 56.15 3g1h h ASP 104 Cb 0.95 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.31 3g1h h ASP 104 CO 0.09 0.50 -0.26 0.28 -1.03 0.00 0.00 179.24 178.82 3g1h h SER 105 N 0.54 0.91 -0.01 4.15 0.02 -1.82 -2.40 113.55 114.94 3g1h h SER 105 Ca 0.13 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3g1h h SER 105 Cb 0.19 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3g1h h SER 105 CO -0.01 1.14 -0.00 0.58 -1.14 0.00 0.00 176.83 177.40 3g1h h VAL 106 N 0.68 1.31 -0.85 2.27 2.07 -1.31 -3.14 116.25 117.29 3g1h h VAL 106 Ca 0.08 -0.93 0.21 0.00 0.82 0.00 0.00 66.70 66.89 3g1h h VAL 106 Cb 0.83 1.93 -0.14 0.00 -1.52 0.00 0.00 31.29 32.40 3g1h h VAL 106 CO 0.07 0.24 0.20 -0.09 0.02 0.00 0.00 177.57 178.02 3g1h h ARG 107 N -0.38 0.21 -0.47 1.57 9.65 -0.38 0.60 114.38 125.18 3g1h h ARG 107 Ca 0.00 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3g1h h ARG 107 Cb 0.40 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 3g1h h ARG 107 CO 0.00 0.14 0.28 0.00 2.80 0.00 0.00 179.97 183.19 3g1h h ALA 108 N 1.75 1.61 -0.22 2.80 0.00 -1.41 0.29 119.26 124.08 3g1h h ALA 108 Ca 0.52 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.19 3g1h h ALA 108 Cb 1.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3g1h h ALA 108 CO -0.63 0.34 -0.57 0.00 0.00 0.00 0.00 179.25 178.39 3g1h h LEU 110 N 0.53 0.55 -0.44 0.00 3.38 -0.39 -2.38 115.31 116.56 3g1h h LEU 110 Ca 0.00 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3g1h h LEU 110 Cb 1.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3g1h h LEU 110 CO 0.12 0.94 0.28 0.78 0.09 0.00 0.00 178.44 180.64 3g1h h ASN 111 N 0.41 0.48 -0.21 -0.43 2.35 -0.31 -1.50 115.58 116.37 3g1h h ASN 111 Ca 0.03 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3g1h h ASN 111 Cb 0.97 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 3g1h h ASN 111 CO 0.09 0.35 -0.18 0.58 -1.65 0.00 0.00 177.43 176.61 3g1h h VAL 112 N 0.58 1.32 -0.21 2.81 2.07 -1.47 -2.07 116.25 119.27 3g1h h VAL 112 Ca 0.16 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.42 3g1h h VAL 112 Cb -0.05 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3g1h h VAL 112 CO -0.05 0.40 0.16 0.00 0.02 0.00 0.00 177.57 178.11 3g1h h ALA 113 N 0.67 2.14 0.15 1.67 0.00 -1.24 -0.74 119.26 121.91 3g1h h ALA 113 Ca 0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3g1h h ALA 113 Cb 0.71 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.54 3g1h h ALA 113 CO 0.05 -0.27 -0.94 1.49 0.00 0.00 0.00 179.25 179.58 3g1h h GLU 114 N 0.00 0.32 -0.51 0.00 4.81 -1.13 1.34 114.58 119.40 3g1h h GLU 114 Ca 0.10 -0.54 0.08 0.00 -0.13 0.00 0.00 59.36 58.87 3g1h h GLU 114 Cb 0.42 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 3g1h h GLU 114 CO -0.00 1.26 0.35 1.49 -0.73 0.00 0.00 179.01 181.37 3g1h h GLU 115 N -0.32 0.35 -0.04 1.92 4.81 -0.63 -2.27 114.58 118.41 3g1h h GLU 115 Ca -0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3g1h h GLU 115 Cb 1.70 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.01 3g1h h GLU 115 CO 0.15 0.23 0.00 -1.33 -0.73 0.00 0.00 179.01 177.33 3g1h n MET 116 N -4.47 0.79 -3.25 1.92 2.81 -0.36 -5.01 117.12 109.55 3g1h n MET 116 Ca 0.08 -1.26 -0.16 0.00 -1.81 0.00 0.00 57.70 54.54 3g1h n MET 116 Cb 0.32 -1.23 0.06 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.67 -0.18 3.79 3.03 0.00 0.60 -5.04 105.19 108.07 3g1h n GLY 117 Ca 0.07 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.68 2.21 -0.07 1.61 1.81 0.43 -4.99 118.95 114.26 3g1h s ARG 118 Ca 0.30 -2.31 -0.00 0.00 -1.72 0.00 0.00 55.73 51.99 3g1h s ARG 118 Cb -0.13 -1.66 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 3g1h s ARG 118 CO 0.55 -0.41 -0.03 -1.21 -0.68 0.00 0.00 175.30 173.52 3g1h s GLU 119 N -3.96 2.86 -0.15 3.54 0.41 -0.89 -4.51 118.70 116.00 3g1h s GLU 119 Ca 0.12 -0.48 -0.00 0.00 -0.41 0.00 0.00 54.97 54.20 3g1h s GLU 119 Cb 0.01 -2.69 -0.01 0.00 -1.78 0.00 0.00 34.13 29.66 3g1h s GLU 119 CO 0.07 0.68 -0.13 0.08 -0.49 0.00 0.00 175.26 175.47 3g1h s VAL 120 N -0.86 2.91 -0.17 2.63 1.01 -1.26 -1.24 120.40 123.41 3g1h s VAL 120 Ca 0.13 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3g1h s VAL 120 Cb -0.11 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3g1h s VAL 120 CO 0.02 0.51 0.05 -0.36 0.00 0.00 0.00 175.10 175.33 3g1h s PHE 121 N 0.63 3.24 -0.26 5.22 0.40 -0.14 -4.27 117.98 122.80 3g1h s PHE 121 Ca -0.07 0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 3g1h s PHE 121 Cb -0.16 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 3g1h s PHE 121 CO 0.03 0.18 0.18 -1.17 0.70 0.00 0.00 175.22 175.13 3g1h s LEU 122 N 0.25 4.07 -0.33 -0.37 2.96 -0.21 0.66 118.68 125.71 3g1h s LEU 122 Ca 0.03 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.77 3g1h s LEU 122 Cb -0.12 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.45 3g1h s LEU 122 CO 0.01 0.00 0.77 -0.22 -1.32 0.00 0.00 176.35 175.59 3g1h s LEU 123 N 1.42 4.11 -0.24 -0.68 2.96 0.09 -0.71 118.68 125.63 3g1h s LEU 123 Ca 0.07 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3g1h s LEU 123 Cb -0.15 -3.03 -0.18 0.00 0.50 0.00 0.00 46.19 43.33 3g1h s LEU 123 CO 0.08 -0.65 -0.15 0.35 -1.32 0.00 0.00 176.35 174.65 3g1h n THR 124 N 5.64 1.51 -3.77 3.68 -2.24 -1.09 -2.94 114.28 115.07 3g1h n THR 124 Ca 0.03 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 3g1h n THR 124 Cb 0.48 -1.40 -0.14 0.00 -2.10 0.00 0.00 70.33 67.17 3g1h n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g1h s GLU 125 N -2.52 0.08 0.51 -0.78 2.12 -1.26 -4.36 118.70 112.49 3g1h s GLU 125 Ca -0.32 0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.24 3g1h s GLU 125 Cb 0.09 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.32 3g1h s GLU 125 CO 0.63 -0.13 0.82 -1.64 -0.54 0.00 0.00 175.26 174.40 3g1h s MET 126 N 0.87 3.46 0.00 4.30 -1.94 -1.26 -3.23 119.30 121.49 3g1h s MET 126 Ca -0.07 0.22 0.25 0.00 -1.71 0.00 0.00 55.69 54.37 3g1h s MET 126 Cb -0.09 -2.34 0.43 0.00 2.01 0.00 0.00 34.83 34.84 3g1h s MET 126 CO -0.04 -0.30 1.36 -1.13 -0.01 0.00 0.00 175.02 174.90 3g1h n SER 127 N -2.34 0.58 -4.91 3.03 3.41 -1.26 -4.64 113.62 107.48 3g1h n SER 127 Ca 0.02 -0.37 -0.27 0.00 -0.26 0.00 0.00 58.87 57.99 3g1h n SER 127 Cb 0.55 0.33 0.02 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 -2.98 3.36 0.20 7.33 -3.43 -1.26 -4.74 115.29 113.77 3g1h s HIS 128 Ca 0.11 0.69 -0.13 0.00 -0.80 0.00 0.00 55.06 54.94 3g1h s HIS 128 Cb 0.17 -2.58 0.24 0.00 -1.43 0.00 0.00 32.58 28.98 3g1h s HIS 128 CO 0.71 -0.63 1.66 -1.35 -2.00 0.00 0.00 174.74 173.13 3g1h h PRO 129 N -0.03 0.07 0.00 -0.38 0.11 -2.00 -0.40 132.00 129.37 3g1h h PRO 129 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g1h h PRO 129 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3g1h h PRO 129 CO 0.61 0.04 0.05 0.41 -0.21 0.00 0.00 178.00 178.90 3g1h n GLY 130 N -1.37 -0.80 0.33 -0.55 0.00 -1.26 -2.11 105.19 99.43 3g1h n GLY 130 Ca 0.07 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.42 3g1h n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h h ALA 131 N 1.87 2.14 0.00 4.61 0.00 -1.37 -2.32 119.26 124.19 3g1h h ALA 131 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3g1h h ALA 131 Cb 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3g1h h ALA 131 CO 0.00 -0.32 -0.56 0.93 0.00 0.00 0.00 179.25 179.30 3g1h h GLU 132 N 0.00 0.00 -0.26 0.00 5.08 -1.62 0.50 114.58 118.28 3g1h h GLU 132 Ca 0.12 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3g1h h GLU 132 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3g1h h GLU 132 CO -0.00 0.56 0.05 0.52 -1.00 0.00 0.00 179.01 179.14 3g1h h MET 133 N 0.00 0.15 0.00 2.33 2.86 -1.63 -3.41 114.93 115.23 3g1h h MET 133 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3g1h h MET 133 Cb 1.12 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3g1h h MET 133 CO 0.07 0.10 -0.29 1.19 1.06 0.00 0.00 176.91 179.04 3g1h n PHE 134 N -5.08 0.00 0.33 -0.22 3.01 -1.25 -4.85 117.46 109.40 3g1h n PHE 134 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 3g1h n PHE 134 Cb 0.11 0.05 -0.09 0.00 -0.01 0.00 0.00 39.48 39.54 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 0.00 -0.62 4.37 2.04 -1.73 -3.18 117.51 118.38 3g1h h ILE 135 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 3g1h h ILE 135 Cb 0.29 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.25 3g1h h ILE 135 CO 0.00 0.00 -0.20 -0.61 0.00 0.00 0.00 178.15 177.34 3g1h h GLN 136 N -1.01 -0.04 -1.01 2.37 4.15 -1.15 0.17 115.11 118.58 3g1h h GLN 136 Ca -0.08 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.59 3g1h h GLN 136 Cb 0.84 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.45 3g1h h GLN 136 CO 0.02 -0.03 0.65 0.78 -1.93 0.00 0.00 178.83 178.33 3g1h h GLY 137 N -0.04 1.22 0.31 2.39 0.00 -1.78 -0.86 103.07 104.32 3g1h h GLY 137 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3g1h h GLY 137 CO -0.66 -0.11 -0.97 0.00 0.00 0.00 0.00 176.54 174.80 3g1h n ALA 138 N -2.46 4.14 -0.32 3.60 0.00 0.07 -4.65 120.51 120.89 3g1h n ALA 138 Ca 0.24 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 3g1h n ALA 138 Cb 0.82 -0.88 -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 n ALA 139 N -1.61 -0.39 0.05 0.00 0.00 0.36 -1.00 120.51 117.93 3g1h n ALA 139 Ca 0.03 0.68 -0.11 0.00 0.00 0.00 0.00 53.44 54.05 3g1h n ALA 139 Cb 0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 3g1h n ALA 139 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g1h h ASP 140 N 0.00 -0.27 0.14 0.00 5.19 -1.83 -0.25 116.42 119.40 3g1h h ASP 140 Ca 0.16 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3g1h h ASP 140 Cb 0.35 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 3g1h h ASP 140 CO -0.73 -0.14 -0.07 -0.08 -3.12 0.00 0.00 179.24 175.10 3g1h h GLU 141 N -0.16 0.00 0.10 3.56 4.81 -1.62 -1.16 114.58 120.10 3g1h h GLU 141 Ca 0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3g1h h GLU 141 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3g1h h GLU 141 CO -0.09 0.07 -0.05 0.82 -0.73 0.00 0.00 179.01 179.02 3g1h h ILE 142 N 0.00 1.12 -0.28 2.32 2.04 -0.08 -2.23 117.51 120.39 3g1h h ILE 142 Ca -0.00 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.82 3g1h h ILE 142 Cb 0.15 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3g1h h ILE 142 CO 0.01 0.25 0.10 0.00 0.00 0.00 0.00 178.15 178.51 3g1h h ALA 143 N 0.14 0.32 -0.90 1.87 0.00 -0.61 -1.28 119.26 118.80 3g1h h ALA 143 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3g1h h ALA 143 Cb 0.52 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3g1h h ALA 143 CO 0.02 -0.30 0.56 0.00 0.00 0.00 0.00 179.25 179.53 3g1h h ARG 144 N 0.23 0.96 -0.84 0.00 3.08 -1.29 0.19 114.38 116.71 3g1h h ARG 144 Ca 0.13 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.17 3g1h h ARG 144 Cb 0.09 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 3g1h h ARG 144 CO -0.13 0.63 0.55 1.98 -1.07 0.00 0.00 179.97 181.94 3g1h h MET 145 N 0.98 0.96 -0.28 0.04 4.05 -0.65 0.94 114.93 120.98 3g1h h MET 145 Ca 0.41 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.67 3g1h h MET 145 Cb 0.25 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3g1h h MET 145 CO -0.20 0.64 -0.23 0.78 0.23 0.00 0.00 176.91 178.13 3g1h h GLY 146 N 0.99 0.58 0.68 1.39 0.00 0.40 -1.15 103.07 105.96 3g1h h GLY 146 Ca 0.35 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3g1h h GLY 146 CO -0.11 0.43 -0.01 -2.08 0.00 0.00 0.00 176.54 174.76 3g1h h VAL 147 N 0.48 1.29 -0.59 4.60 2.07 0.29 0.53 116.25 124.93 3g1h h VAL 147 Ca 0.07 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.71 3g1h h VAL 147 Cb 0.65 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3g1h h VAL 147 CO 0.05 0.25 0.39 0.44 0.02 0.00 0.00 177.57 178.72 3g1h h ASP 148 N -0.24 0.59 1.90 0.57 3.32 -0.73 -1.02 116.42 120.81 3g1h h ASP 148 Ca 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3g1h h ASP 148 Cb 0.41 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3g1h h ASP 148 CO 0.01 0.41 0.00 -0.07 -1.72 0.00 0.00 179.24 177.86 3g1h h LEU 149 N 0.69 0.00 0.00 1.55 3.38 -1.03 -3.47 115.31 116.43 3g1h h LEU 149 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3g1h h LEU 149 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3g1h h LEU 149 CO -0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.08 3g1h n GLY 150 N 1.04 1.08 3.75 0.83 0.00 -0.20 -5.08 105.19 106.61 3g1h n GLY 150 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 3.40 -0.50 1.61 1.01 0.17 -4.92 120.40 119.17 3g1h s VAL 151 Ca 0.00 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.26 3g1h s VAL 151 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3g1h s VAL 151 CO 0.00 0.23 0.55 0.29 0.00 0.00 0.00 175.10 176.16 3g1h n LYS 152 N 2.07 0.91 -4.49 2.72 5.02 -1.26 -4.61 118.16 118.51 3g1h n LYS 152 Ca 0.03 -0.61 -0.23 0.00 -2.02 0.00 0.00 58.31 55.48 3g1h n LYS 152 Cb 0.44 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.60 1.53 0.19 4.39 0.01 -1.26 0.57 114.94 119.78 3g1h s ASN 153 Ca 0.05 -0.25 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 3g1h s ASN 153 Cb 0.04 -0.61 -0.05 0.00 0.41 0.00 0.00 41.25 41.04 3g1h s ASN 153 CO 0.08 0.04 0.02 -0.31 -1.51 0.00 0.00 177.10 175.43 3g1h s TYR 154 N 0.51 1.28 -0.07 2.20 1.51 -0.11 -1.04 117.35 121.63 3g1h s TYR 154 Ca -0.10 -1.06 0.02 0.00 -1.01 0.00 0.00 57.07 54.93 3g1h s TYR 154 Cb -0.13 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 3g1h s TYR 154 CO 0.02 -0.24 -0.14 0.08 -1.11 0.00 0.00 175.55 174.16 3g1h s VAL 155 N -3.69 1.28 0.04 0.71 1.01 0.12 -1.37 120.40 118.51 3g1h s VAL 155 Ca 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3g1h s VAL 155 Cb 0.06 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3g1h s VAL 155 CO 0.06 0.39 -0.04 -0.83 0.00 0.00 0.00 175.10 174.68 3g1h s GLY 156 N 0.63 0.42 0.16 4.51 0.00 -0.57 -2.67 107.32 109.79 3g1h s GLY 156 Ca -0.15 -0.89 -0.32 0.00 0.00 0.00 0.00 44.72 43.36 3g1h s GLY 156 CO 0.04 -0.97 1.77 -1.55 0.00 0.00 0.00 173.10 172.40 3g1h n PRO 157 N 0.96 2.74 0.06 2.90 -0.04 -1.20 -3.36 135.00 137.05 3g1h n PRO 157 Ca -0.20 0.99 -0.09 0.00 -0.04 0.00 0.00 63.50 64.16 3g1h n PRO 157 Cb 0.57 -2.86 -0.13 0.00 -0.04 0.00 0.00 33.50 31.05 3g1h n PRO 157 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g1h h SER 158 N 7.63 0.09 0.38 3.54 0.87 -1.37 -3.26 113.55 121.42 3g1h h SER 158 Ca -0.45 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 59.99 3g1h h SER 158 Cb 1.22 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3g1h h SER 158 CO 0.95 1.09 -0.04 0.71 -0.53 0.00 0.00 176.83 179.01 3g1h h THR 159 N 0.02 0.21 -3.18 2.23 1.35 -1.78 -3.34 112.91 108.41 3g1h h THR 159 Ca -0.08 -0.30 -0.65 0.00 -0.55 0.00 0.00 66.41 64.84 3g1h h THR 159 Cb 1.85 1.24 -0.40 0.00 -1.73 0.00 0.00 68.15 69.11 3g1h h THR 159 CO 0.14 0.04 -0.44 -0.13 -0.25 0.00 0.00 175.52 174.87 3g1h s ARG 160 N -4.07 2.65 0.29 4.72 0.52 -1.23 -4.90 118.95 116.93 3g1h s ARG 160 Ca -0.03 -3.26 0.03 0.00 -0.52 0.00 0.00 55.73 51.95 3g1h s ARG 160 Cb 0.12 -3.57 0.64 0.00 0.52 0.00 0.00 34.95 32.67 3g1h s ARG 160 CO 0.51 -1.26 1.78 -1.35 0.02 0.00 0.00 175.30 175.00 3g1h h PRO 161 N 5.68 0.75 -0.10 3.54 0.11 -1.80 0.52 132.00 140.70 3g1h h PRO 161 Ca 0.13 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 3g1h h PRO 161 Cb 0.78 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 3g1h h PRO 161 CO 0.75 0.50 -0.43 1.05 -0.21 0.00 0.00 178.00 179.66 3g1h h GLU 162 N 0.78 0.23 0.00 1.05 9.09 -1.95 -2.55 114.58 121.23 3g1h h GLU 162 Ca 0.53 -0.11 -0.19 0.00 0.05 0.00 0.00 59.36 59.64 3g1h h GLU 162 Cb 0.75 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.82 3g1h h GLU 162 CO -0.35 0.62 -0.88 0.00 0.05 0.00 0.00 179.01 178.45 3g1h h ARG 163 N 0.19 0.03 -0.41 1.06 2.47 -1.39 -2.99 114.38 113.33 3g1h h ARG 163 Ca 0.02 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 3g1h h ARG 163 Cb 0.84 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.16 3g1h h ARG 163 CO 0.07 0.89 0.04 1.25 0.56 0.00 0.00 179.97 182.78 3g1h h LEU 164 N 0.01 0.68 -1.04 3.04 5.85 -0.77 -2.59 115.31 120.49 3g1h h LEU 164 Ca -0.02 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 3g1h h LEU 164 Cb 1.55 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 3g1h h LEU 164 CO 0.12 0.79 0.13 -1.28 -0.34 0.00 0.00 178.44 177.85 3g1h h SER 165 N 0.55 0.76 -0.21 1.25 0.87 -1.47 -0.31 113.55 115.00 3g1h h SER 165 Ca 0.12 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3g1h h SER 165 Cb 0.41 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3g1h h SER 165 CO 0.01 0.75 -0.08 -0.09 -0.53 0.00 0.00 176.83 176.89 3g1h h ARG 166 N 0.79 0.42 -0.33 2.24 9.65 -1.40 -2.19 114.38 123.57 3g1h h ARG 166 Ca 0.17 -0.17 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3g1h h ARG 166 Cb 0.29 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 3g1h h ARG 166 CO -0.00 0.69 -0.20 -0.07 2.80 0.00 0.00 179.97 183.19 3g1h h LEU 167 N 0.13 0.61 -0.90 3.80 3.38 -1.35 -1.91 115.31 119.07 3g1h h LEU 167 Ca 0.05 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3g1h h LEU 167 Cb 0.55 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3g1h h LEU 167 CO 0.03 0.82 0.59 -0.09 0.09 0.00 0.00 178.44 179.87 3g1h h ARG 168 N 0.55 1.13 -0.01 1.13 9.65 -0.92 -0.31 114.38 125.61 3g1h h ARG 168 Ca 0.08 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 3g1h h ARG 168 Cb 0.65 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 3g1h h ARG 168 CO 0.05 0.75 -0.65 1.05 2.80 0.00 0.00 179.97 183.96 3g1h h GLU 169 N 1.17 0.03 -0.45 0.20 4.11 -0.94 -0.77 114.58 117.92 3g1h h GLU 169 Ca 0.35 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.63 3g1h h GLU 169 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3g1h h GLU 169 CO -0.10 0.67 -0.23 0.82 0.07 0.00 0.00 179.01 180.23 3g1h h ILE 170 N 0.02 1.27 0.00 -1.06 2.04 -0.58 -3.13 117.51 116.08 3g1h h ILE 170 Ca -0.01 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3g1h h ILE 170 Cb 1.16 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3g1h h ILE 170 CO 0.09 0.48 -0.32 2.30 0.00 0.00 0.00 178.15 180.70 3g1h n ILE 171 N -4.14 0.24 -0.61 -0.67 -5.35 -0.20 -4.92 119.36 103.71 3g1h n ILE 171 Ca -0.01 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3g1h n ILE 171 Cb 0.46 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 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 1.41 -0.16 0.00 3.28 0.00 -0.31 -4.28 105.19 105.13 3g1h n GLY 172 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3g1h n GLY 172 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g1h n GLN 173 N 0.00 2.13 -0.02 1.61 1.13 -1.26 -4.52 117.38 116.44 3g1h n GLN 173 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 3g1h n GLN 173 Cb 0.00 -0.83 -0.13 0.00 0.11 0.00 0.00 30.24 29.39 3g1h n GLN 173 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3g1h h ASP 174 N 0.00 0.22 -2.50 1.08 3.32 -1.97 -3.46 116.42 113.12 3g1h h ASP 174 Ca 0.00 -0.91 -0.60 0.00 0.02 0.00 0.00 57.03 55.53 3g1h h ASP 174 Cb 0.00 -0.07 0.12 0.00 0.22 0.00 0.00 39.33 39.60 3g1h h ASP 174 CO 0.00 1.11 0.06 -1.20 -1.72 0.00 0.00 179.24 177.50 3g1h n SER 175 N -4.42 1.01 -4.84 6.45 7.64 -1.26 -4.96 113.62 113.24 3g1h n SER 175 Ca -0.11 1.13 -0.35 0.00 1.01 0.00 0.00 58.87 60.55 3g1h n SER 175 Cb 0.59 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.46 3g1h n SER 175 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3g1h s PHE 176 N -1.13 3.55 -0.11 1.43 5.36 0.19 -4.98 117.98 122.29 3g1h s PHE 176 Ca 0.60 1.21 -0.05 0.00 -0.96 0.00 0.00 56.93 57.73 3g1h s PHE 176 Cb -0.68 -2.50 0.05 0.00 -0.34 0.00 0.00 43.02 39.56 3g1h s PHE 176 CO 0.59 0.30 0.24 -1.17 -1.46 0.00 0.00 175.22 173.73 3g1h s LEU 177 N -2.29 0.09 0.03 6.12 2.96 -1.26 -0.94 118.68 123.40 3g1h s LEU 177 Ca 0.45 0.54 0.07 0.00 -0.22 0.00 0.00 54.13 54.96 3g1h s LEU 177 Cb -0.14 0.68 -0.03 0.00 0.50 0.00 0.00 46.19 47.20 3g1h s LEU 177 CO 0.20 -0.20 -0.19 0.27 -1.32 0.00 0.00 176.35 175.10 3g1h s ILE 178 N 1.81 2.67 -0.10 6.68 -4.36 -0.47 -0.24 121.20 127.20 3g1h s ILE 178 Ca -0.04 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 3g1h s ILE 178 Cb -0.11 -2.10 0.02 0.00 1.25 0.00 0.00 42.46 41.51 3g1h s ILE 178 CO -0.08 0.37 -0.13 -0.55 0.24 0.00 0.00 174.94 174.78 3g1h s SER 179 N -1.33 2.24 0.36 4.36 0.15 -1.00 -1.52 113.70 116.97 3g1h s SER 179 Ca 0.14 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.46 3g1h s SER 179 Cb -0.10 -0.99 -0.01 0.00 -1.71 0.00 0.00 66.02 63.21 3g1h s SER 179 CO 0.04 -0.00 0.52 -2.16 1.20 0.00 0.00 173.24 172.84 3g1h s PRO 180 N 1.05 3.10 0.00 5.44 0.04 -1.21 -0.93 135.00 142.48 3g1h s PRO 180 Ca -0.06 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.09 3g1h s PRO 180 Cb -0.15 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3g1h s PRO 180 CO -0.02 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.41 3g1h n GLY 181 N -1.75 0.95 3.65 0.56 0.00 -1.26 -1.02 105.19 106.33 3g1h n GLY 181 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.78 0.00 1.61 1.01 -1.25 -0.45 120.40 124.10 3g1h s VAL 182 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.73 3g1h s VAL 182 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3g1h s VAL 182 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3g1h n GLY 183 N 3.56 0.99 0.05 4.51 0.00 -1.05 -4.60 105.19 108.65 3g1h n GLY 183 Ca 0.08 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.18 3g1h n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1h n ALA 184 N 1.43 0.72 0.46 4.61 0.00 -1.26 -1.06 120.51 125.41 3g1h n ALA 184 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.53 3g1h n ALA 184 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3g1h n ALA 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g1h n GLN 185 N -1.58 2.61 0.00 0.00 6.02 -1.25 -5.02 117.38 118.16 3g1h n GLN 185 Ca -0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 3g1h n GLN 185 Cb 0.17 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 1.01 1.28 3.79 1.08 0.00 -0.22 -4.88 105.19 107.26 3g1h n GLY 186 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.15 2.36 -0.16 -0.02 0.00 0.40 -4.80 107.32 102.95 3g1h s GLY 187 Ca 0.00 0.57 -0.03 0.00 0.00 0.00 0.00 44.72 45.26 3g1h s GLY 187 CO 0.00 0.90 -0.06 -0.35 0.00 0.00 0.00 173.10 173.58 3g1h s ASP 188 N -2.28 4.50 0.11 1.64 2.15 -1.26 -2.52 116.67 119.00 3g1h s ASP 188 Ca 0.67 -0.23 -0.29 0.00 0.43 0.00 0.00 52.55 53.13 3g1h s ASP 188 Cb -0.18 -1.73 -0.10 0.00 -0.30 0.00 0.00 42.92 40.61 3g1h s ASP 188 CO 0.29 0.13 1.48 -0.65 -0.17 0.00 0.00 175.17 176.26 3g1h h PRO 189 N 6.95 -0.40 -0.12 4.34 0.11 -1.96 -0.86 132.00 140.06 3g1h h PRO 189 Ca -0.31 0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.84 3g1h h PRO 189 Cb 1.19 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 3g1h h PRO 189 CO 0.60 -0.27 -0.30 0.78 -0.21 0.00 0.00 178.00 178.61 3g1h h GLY 190 N -0.42 -1.35 -0.41 -0.55 0.00 -1.97 0.31 103.07 98.68 3g1h h GLY 190 Ca 0.05 0.71 0.22 0.00 0.00 0.00 0.00 47.33 48.31 3g1h h GLY 190 CO -0.47 -0.39 0.22 0.83 0.00 0.00 0.00 176.54 176.73 3g1h h GLU 191 N -0.29 0.21 -0.22 4.80 4.39 -1.96 0.20 114.58 121.70 3g1h h GLU 191 Ca 0.02 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 3g1h h GLU 191 Cb 0.36 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3g1h h GLU 191 CO -0.26 0.14 -0.41 1.15 -1.16 0.00 0.00 179.01 178.47 3g1h h THR 192 N 0.21 1.30 0.00 1.13 2.02 -0.37 -2.77 112.91 114.44 3g1h h THR 192 Ca 0.53 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 66.15 3g1h h THR 192 Cb 1.05 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3g1h h THR 192 CO -0.64 0.49 0.00 0.18 0.37 0.00 0.00 175.52 175.92 3g1h n LEU 193 N -4.03 0.00 0.12 2.58 4.77 0.10 -0.17 117.00 120.38 3g1h n LEU 193 Ca -0.02 0.08 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 3g1h n LEU 193 Cb 0.51 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3g1h n LEU 193 CO 0.44 -0.02 0.40 0.03 -1.33 0.00 0.00 177.39 176.91 3g1h h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.12 -3.39 114.38 116.18 3g1h h ARG 194 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3g1h h ARG 194 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3g1h h ARG 194 CO 0.00 0.57 -1.10 1.19 -1.07 0.00 0.00 179.97 179.56 3g1h n PHE 195 N -3.23 0.00 -3.31 3.04 0.99 -1.01 -5.05 117.46 108.88 3g1h n PHE 195 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.15 3g1h n PHE 195 Cb 0.77 -0.07 -0.05 0.00 -1.00 0.00 0.00 39.48 39.13 3g1h n PHE 195 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3g1h s ALA 196 N -2.04 3.49 -0.00 4.37 0.00 0.76 -4.91 121.76 123.44 3g1h s ALA 196 Ca -0.02 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 3g1h s ALA 196 Cb 0.01 -2.53 -0.25 0.00 0.00 0.00 0.00 23.12 20.35 3g1h s ALA 196 CO 0.04 0.42 1.07 -0.44 0.00 0.00 0.00 175.76 176.85 3g1h h ASP 197 N 2.35 0.54 -3.63 0.00 3.32 -0.90 -3.39 116.42 114.71 3g1h h ASP 197 Ca -0.47 -0.79 -0.24 0.00 0.02 0.00 0.00 57.03 55.55 3g1h h ASP 197 Cb 1.17 -0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.26 3g1h h ASP 197 CO 0.68 1.26 -0.64 0.00 -1.72 0.00 0.00 179.24 178.81 3g1h s ALA 198 N -3.09 -0.15 0.16 3.45 0.00 -1.20 -4.74 121.76 116.19 3g1h s ALA 198 Ca -0.13 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 3g1h s ALA 198 Cb 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 3g1h s ALA 198 CO 0.83 -0.08 0.57 0.96 0.00 0.00 0.00 175.76 178.04 3g1h s ILE 199 N 0.54 4.83 -0.13 0.00 -4.36 0.65 -2.37 121.20 120.35 3g1h s ILE 199 Ca -0.04 0.86 -0.06 0.00 -0.26 0.00 0.00 60.65 61.14 3g1h s ILE 199 Cb -0.06 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 3g1h s ILE 199 CO -0.02 0.21 0.08 -0.63 0.24 0.00 0.00 174.94 174.82 3g1h s ILE 200 N -1.51 4.99 -0.02 8.37 1.01 -0.11 -0.87 121.20 133.08 3g1h s ILE 200 Ca 0.39 0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.07 3g1h s ILE 200 Cb -0.15 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.15 3g1h s ILE 200 CO 0.19 0.56 -0.02 -0.69 0.00 0.00 0.00 174.94 174.99 3g1h s VAL 201 N -0.51 0.22 0.00 2.92 1.01 -0.69 -3.85 120.40 119.51 3g1h s VAL 201 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3g1h s VAL 201 Cb -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3g1h s VAL 201 CO 0.02 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3g1h n GLY 202 N 3.62 0.97 0.34 4.51 0.00 -1.26 -1.29 105.19 112.08 3g1h n GLY 202 Ca -0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 0.01 0.00 1.61 3.08 -1.93 0.61 114.38 117.76 3g1h h ARG 203 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g1h h ARG 203 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3g1h h ARG 203 CO 0.00 0.01 0.48 1.03 -1.07 0.00 0.00 179.97 180.42 3g1h h SER 204 N 0.01 0.00 0.00 7.04 0.87 -1.91 -0.88 113.55 118.68 3g1h h SER 204 Ca 0.61 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.13 3g1h h SER 204 Cb 1.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 3g1h h SER 204 CO -0.91 0.00 -0.75 -0.38 -0.53 0.00 0.00 176.83 174.26 3g1h n ILE 205 N -2.62 0.65 0.84 2.23 5.41 0.20 -4.52 119.36 121.56 3g1h n ILE 205 Ca -0.01 0.13 0.10 0.00 1.00 0.00 0.00 62.75 63.97 3g1h n ILE 205 Cb 0.51 -1.61 0.48 0.00 -0.71 0.00 0.00 39.64 38.32 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 -3.36 0.00 0.61 1.39 0.18 -0.67 -2.32 117.16 112.99 3g1h n TYR 206 Ca -0.05 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.80 3g1h n TYR 206 Cb 0.35 -0.41 0.02 0.00 -0.38 0.00 0.00 39.34 38.91 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 -1.41 1.74 -4.81 -3.48 4.77 -0.34 -5.00 117.00 108.46 3g1h n LEU 207 Ca 0.07 -0.85 -0.32 0.00 -0.03 0.00 0.00 56.01 54.89 3g1h n LEU 207 Cb 0.21 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3g1h n LEU 207 CO 0.18 0.33 0.71 0.00 -1.33 0.00 0.00 177.39 177.28 3g1h s ALA 208 N -1.53 2.68 0.16 -1.18 0.00 -0.98 -4.96 121.76 115.95 3g1h s ALA 208 Ca 0.13 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 3g1h s ALA 208 Cb 0.12 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 20.08 3g1h s ALA 208 CO 0.29 -1.09 1.70 -0.44 0.00 0.00 0.00 175.76 176.22 3g1h h ASP 209 N -0.25 0.80 -3.64 0.00 3.45 -1.95 -3.37 116.42 111.45 3g1h h ASP 209 Ca -0.45 -0.19 -0.64 0.00 0.43 0.00 0.00 57.03 56.17 3g1h h ASP 209 Cb 1.22 -0.21 -0.39 0.00 -0.56 0.00 0.00 39.33 39.39 3g1h h ASP 209 CO 0.57 0.78 -0.75 0.21 -1.57 0.00 0.00 179.24 178.48 3g1h s ASN 210 N -6.12 4.49 0.06 6.45 3.84 -1.26 -5.02 114.94 117.39 3g1h s ASN 210 Ca -0.13 -1.83 -0.37 0.00 0.21 0.00 0.00 52.86 50.74 3g1h s ASN 210 Cb 0.12 -1.45 -0.20 0.00 -0.55 0.00 0.00 41.25 39.17 3g1h s ASN 210 CO 0.79 -0.33 1.57 -0.65 -2.79 0.00 0.00 177.10 175.70 3g1h h PRO 211 N 7.75 -1.23 -0.97 0.43 0.11 -1.76 -2.28 132.00 134.06 3g1h h PRO 211 Ca -0.10 0.08 0.23 0.00 0.11 0.00 0.00 66.00 66.33 3g1h h PRO 211 Cb 1.03 0.28 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 3g1h h PRO 211 CO 0.49 -0.82 0.53 0.00 -0.21 0.00 0.00 178.00 177.99 3g1h h ALA 212 N -1.22 1.66 -0.03 -0.75 0.00 -1.90 0.45 119.26 117.47 3g1h h ALA 212 Ca -0.12 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3g1h h ALA 212 Cb 0.99 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3g1h h ALA 212 CO 0.18 -0.27 -0.56 0.00 0.00 0.00 0.00 179.25 178.60 3g1h h ALA 213 N 1.71 1.00 -0.23 0.00 0.00 -1.92 -1.64 119.26 118.18 3g1h h ALA 213 Ca 0.61 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3g1h h ALA 213 Cb 1.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3g1h h ALA 213 CO -0.48 0.70 -0.53 0.00 0.00 0.00 0.00 179.25 178.94 3g1h h ALA 214 N 1.35 0.63 -0.04 0.00 0.00 -0.32 -1.53 119.26 119.34 3g1h h ALA 214 Ca -0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 3g1h h ALA 214 Cb 1.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3g1h h ALA 214 CO 0.08 0.68 -0.95 0.00 0.00 0.00 0.00 179.25 179.06 3g1h h ALA 215 N 0.88 0.23 -0.33 0.00 0.00 -1.33 -2.74 119.26 115.97 3g1h h ALA 215 Ca 0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 3g1h h ALA 215 Cb 1.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3g1h h ALA 215 CO 0.11 0.71 -0.09 0.00 0.00 0.00 0.00 179.25 179.98 3g1h h ALA 216 N 0.52 1.22 -0.03 0.00 0.00 -1.28 -1.08 119.26 118.61 3g1h h ALA 216 Ca -0.10 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3g1h h ALA 216 Cb 1.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3g1h h ALA 216 CO 0.18 0.51 -0.55 0.78 0.00 0.00 0.00 179.25 180.17 3g1h h GLY 217 N 0.92 0.10 1.01 0.00 0.00 -1.26 -0.76 103.07 103.09 3g1h h GLY 217 Ca 0.10 -0.12 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 3g1h h GLY 217 CO 0.03 0.11 -0.71 -2.22 0.00 0.00 0.00 176.54 173.74 3g1h h ILE 218 N 0.07 1.33 -0.61 2.60 2.04 -1.14 -0.31 117.51 121.50 3g1h h ILE 218 Ca -0.00 -2.00 0.01 0.00 1.00 0.00 0.00 64.86 63.87 3g1h h ILE 218 Cb 1.00 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 3g1h h ILE 218 CO 0.08 0.61 0.40 0.40 0.00 0.00 0.00 178.15 179.63 3g1h h ILE 219 N 0.26 1.13 -0.30 -0.67 2.04 -1.09 -1.04 117.51 117.84 3g1h h ILE 219 Ca -0.07 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 3g1h h ILE 219 Cb 1.37 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3g1h h ILE 219 CO 0.14 0.15 -0.17 -0.33 0.00 0.00 0.00 178.15 177.94 3g1h h GLU 220 N 0.80 0.54 0.00 2.37 4.39 -1.11 0.11 114.58 121.68 3g1h h GLU 220 Ca 0.23 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3g1h h GLU 220 Cb -0.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3g1h h GLU 220 CO -0.06 0.69 0.00 0.45 -1.16 0.00 0.00 179.01 178.93 3g1h n SER 221 N -4.16 0.00 -0.32 1.42 2.88 -0.13 -2.62 113.62 110.69 3g1h n SER 221 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 3g1h n SER 221 Cb 0.36 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 3g1h n SER 221 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3g1h n ILE 222 N -1.46 0.00 0.30 2.46 -5.35 -0.86 -4.71 119.36 109.73 3g1h n ILE 222 Ca 0.02 0.00 0.16 0.00 -0.27 0.00 0.00 62.75 62.66 3g1h n ILE 222 Cb 0.09 0.63 0.93 0.00 -1.74 0.00 0.00 39.64 39.55 3g1h n ILE 222 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3g1h h LYS 223 N 0.00 0.00 0.00 6.28 3.64 -0.55 -0.41 116.57 125.53 3g1h h LYS 223 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3g1h h LYS 223 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3g1h h LYS 223 CO 0.00 0.02 0.00 -0.25 -2.27 0.00 0.00 179.45 176.95 3g1h n ASP 224 N -3.67 0.08 -0.20 4.20 8.00 -1.26 -5.09 116.55 118.61 3g1h n ASP 224 Ca -0.03 0.54 0.02 0.00 0.71 0.00 0.00 54.79 56.03 3g1h n ASP 224 Cb 0.11 -0.55 0.02 0.00 -0.02 0.00 0.00 41.12 40.69 3g1h n ASP 224 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99