#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1f n MET 9 N 0.00 -0.01 -4.04 7.34 2.00 -1.26 -5.02 117.12 116.13 3g1f n MET 9 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 57.70 57.43 3g1f n MET 9 Cb 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 33.22 31.90 3g1f n MET 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3g1f s ASP 10 N -1.15 2.27 -0.30 7.83 -1.08 -1.26 -5.10 116.67 117.89 3g1f s ASP 10 Ca 0.47 -0.35 -0.06 0.00 -0.52 0.00 0.00 52.55 52.08 3g1f s ASP 10 Cb -0.25 -0.94 0.02 0.00 -1.46 0.00 0.00 42.92 40.29 3g1f s ASP 10 CO 0.76 -0.08 0.07 -0.69 0.52 0.00 0.00 175.17 175.75 3g1f s VAL 11 N 1.50 3.81 -0.11 1.11 1.01 -1.26 -5.01 120.40 121.46 3g1f s VAL 11 Ca 0.02 -0.82 -0.39 0.00 0.00 0.00 0.00 61.98 60.80 3g1f s VAL 11 Cb -0.13 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.08 3g1f s VAL 11 CO -0.07 0.04 1.51 0.80 0.00 0.00 0.00 175.10 177.38 3g1f n MET 12 N 4.83 1.02 -1.75 2.72 1.56 -1.26 0.23 117.12 124.47 3g1f n MET 12 Ca -0.14 0.37 -0.18 0.00 -0.27 0.00 0.00 57.70 57.47 3g1f n MET 12 Cb 0.47 -2.01 -0.06 0.00 2.15 0.00 0.00 33.22 33.77 3g1f n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g1f n ASN 13 N 3.76 -4.91 -1.96 6.12 3.02 -1.26 -2.72 115.26 117.30 3g1f n ASN 13 Ca 0.23 0.35 -0.09 0.00 -0.03 0.00 0.00 54.58 55.03 3g1f n ASN 13 Cb 0.14 -4.32 -0.02 0.00 -0.61 0.00 0.00 39.78 34.97 3g1f n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g1f n ARG 14 N -2.39 -1.91 -5.03 3.52 1.74 0.14 -4.93 116.66 107.79 3g1f n ARG 14 Ca -0.19 0.48 -0.32 0.00 -0.77 0.00 0.00 57.85 57.05 3g1f n ARG 14 Cb 0.61 -4.89 -0.17 0.00 -1.02 0.00 0.00 32.46 27.00 3g1f n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1f s LEU 15 N -4.51 2.15 -0.14 0.55 2.96 -1.10 -0.56 118.68 118.03 3g1f s LEU 15 Ca 0.00 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3g1f s LEU 15 Cb 0.00 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3g1f s LEU 15 CO 0.00 0.14 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.40 3g1f s ILE 16 N 0.47 2.84 -0.05 6.68 1.01 0.62 -4.56 121.20 128.21 3g1f s ILE 16 Ca -0.15 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 3g1f s ILE 16 Cb -0.17 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3g1f s ILE 16 CO 0.06 0.52 1.04 -0.22 0.00 0.00 0.00 174.94 176.33 3g1f s LEU 17 N 0.60 4.31 -0.83 2.97 2.96 -0.65 -1.38 118.68 126.65 3g1f s LEU 17 Ca -0.08 1.65 -0.16 0.00 -0.22 0.00 0.00 54.13 55.32 3g1f s LEU 17 Cb -0.16 -3.56 0.18 0.00 0.50 0.00 0.00 46.19 43.15 3g1f s LEU 17 CO 0.03 -0.40 0.86 0.00 -1.32 0.00 0.00 176.35 175.53 3g1f s ALA 18 N 1.58 3.80 -1.24 5.97 0.00 -0.68 0.98 121.76 132.17 3g1f s ALA 18 Ca 0.51 -3.04 -0.20 0.00 0.00 0.00 0.00 51.96 49.24 3g1f s ALA 18 Cb -0.21 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.28 3g1f s ALA 18 CO 0.23 -2.49 1.75 1.41 0.00 0.00 0.00 175.76 176.66 3g1f s MET 19 N 1.17 3.64 -0.28 0.00 1.75 -0.71 -4.44 119.30 120.43 3g1f s MET 19 Ca 0.21 -1.72 0.11 0.00 -1.25 0.00 0.00 55.69 53.05 3g1f s MET 19 Cb -0.10 -5.46 0.63 0.00 2.84 0.00 0.00 34.83 32.74 3g1f s MET 19 CO -0.07 -2.60 1.63 -0.25 -0.65 0.00 0.00 175.02 173.08 3g1f n ASP 20 N 9.68 3.99 -4.74 1.11 8.00 -1.26 -4.38 116.55 128.95 3g1f n ASP 20 Ca 0.46 -3.31 -0.41 0.00 0.71 0.00 0.00 54.79 52.24 3g1f n ASP 20 Cb 0.47 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 3g1f n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1f s LEU 21 N -3.02 4.53 0.00 0.64 1.43 -1.26 -4.77 118.68 116.22 3g1f s LEU 21 Ca 0.49 1.79 0.12 0.00 -1.03 0.00 0.00 54.13 55.50 3g1f s LEU 21 Cb 0.41 -3.55 0.48 0.00 0.03 0.00 0.00 46.19 43.56 3g1f s LEU 21 CO 0.09 -0.01 1.35 0.23 0.23 0.00 0.00 176.35 178.24 3g1f n MET 22 N 2.50 1.50 -4.56 1.70 2.81 -1.26 -4.41 117.12 115.39 3g1f n MET 22 Ca 0.01 -0.76 -0.23 0.00 -1.81 0.00 0.00 57.70 54.91 3g1f n MET 22 Cb 0.49 -1.25 -0.16 0.00 -0.71 0.00 0.00 33.22 31.59 3g1f n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g1f s ASN 23 N -1.23 1.61 0.26 7.83 2.20 -1.26 -4.59 114.94 119.76 3g1f s ASN 23 Ca 0.21 -0.26 -0.04 0.00 -0.94 0.00 0.00 52.86 51.84 3g1f s ASN 23 Cb 0.11 -0.50 0.54 0.00 -2.00 0.00 0.00 41.25 39.40 3g1f s ASN 23 CO 0.16 0.08 1.63 -0.09 -2.94 0.00 0.00 177.10 175.94 3g1f h ARG 24 N 6.47 0.11 0.37 3.55 2.43 -1.95 -2.09 114.38 123.27 3g1f h ARG 24 Ca -0.33 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 3g1f h ARG 24 Cb 1.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3g1f h ARG 24 CO 0.48 0.07 -0.31 -0.44 -1.51 0.00 0.00 179.97 178.26 3g1f h ASP 25 N 0.11 -0.83 -0.57 -3.80 3.32 -1.99 -2.13 116.42 110.53 3g1f h ASP 25 Ca 0.47 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.59 3g1f h ASP 25 Cb 0.88 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3g1f h ASP 25 CO -0.70 -0.43 0.38 0.44 -1.72 0.00 0.00 179.24 177.20 3g1f h ASP 26 N -0.67 0.65 0.13 6.45 3.32 -1.96 -2.52 116.42 121.82 3g1f h ASP 26 Ca -0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3g1f h ASP 26 Cb 0.56 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3g1f h ASP 26 CO -0.00 0.47 -0.34 0.00 -1.72 0.00 0.00 179.24 177.65 3g1f h ALA 27 N 1.22 -0.88 -0.95 3.45 0.00 -1.36 0.22 119.26 120.96 3g1f h ALA 27 Ca 0.21 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.26 3g1f h ALA 27 Cb -0.08 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 3g1f h ALA 27 CO -0.05 -0.95 0.51 -0.07 0.00 0.00 0.00 179.25 178.69 3g1f h LEU 28 N -0.52 0.55 0.76 0.00 3.38 -1.37 0.16 115.31 118.28 3g1f h LEU 28 Ca -0.01 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3g1f h LEU 28 Cb 0.50 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3g1f h LEU 28 CO -0.15 0.09 -0.36 -0.09 0.09 0.00 0.00 178.44 178.01 3g1f h ARG 29 N 0.54 -0.98 -0.62 1.13 2.43 -0.89 0.11 114.38 116.10 3g1f h ARG 29 Ca 0.59 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.89 3g1f h ARG 29 Cb 1.09 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 3g1f h ARG 29 CO -0.48 -0.65 0.41 0.28 -1.51 0.00 0.00 179.97 178.03 3g1f h VAL 30 N -1.26 1.01 0.33 0.20 2.07 -0.19 0.67 116.25 119.09 3g1f h VAL 30 Ca -0.10 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3g1f h VAL 30 Cb 0.79 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3g1f h VAL 30 CO 0.17 0.12 -0.16 0.74 0.02 0.00 0.00 177.57 178.46 3g1f h THR 31 N 0.63 0.67 -0.59 2.57 2.02 -0.61 -2.90 112.91 114.71 3g1f h THR 31 Ca 0.27 -0.47 0.07 0.00 0.77 0.00 0.00 66.41 67.05 3g1f h THR 31 Cb 0.25 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3g1f h THR 31 CO -0.08 0.09 0.39 1.23 0.37 0.00 0.00 175.52 177.52 3g1f h GLY 32 N -0.72 0.66 0.86 2.16 0.00 -0.08 -1.80 103.07 104.16 3g1f h GLY 32 Ca -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.09 3g1f h GLY 32 CO 0.08 0.15 -0.02 0.83 0.00 0.00 0.00 176.54 177.57 3g1f h GLU 33 N 0.51 -0.01 -0.16 4.80 5.08 -0.71 -2.72 114.58 121.37 3g1f h GLU 33 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3g1f h GLU 33 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3g1f h GLU 33 CO -0.08 -0.01 0.00 1.33 -1.00 0.00 0.00 179.01 179.26 3g1f n VAL 34 N -5.13 0.21 -0.34 3.13 0.24 -0.99 -4.41 118.33 111.03 3g1f n VAL 34 Ca -0.06 -0.30 0.17 0.00 -2.04 0.00 0.00 64.34 62.12 3g1f n VAL 34 Cb 0.07 0.23 0.39 0.00 -1.47 0.00 0.00 33.84 33.06 3g1f n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3g1f h ARG 35 N 1.75 0.58 0.00 7.34 9.65 -1.00 0.48 114.38 133.18 3g1f h ARG 35 Ca 0.00 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 3g1f h ARG 35 Cb 0.39 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 3g1f h ARG 35 CO 0.00 0.39 -0.22 1.05 2.80 0.00 0.00 179.97 183.99 3g1f h GLU 36 N 0.60 0.00 0.06 0.20 4.11 -1.81 -3.21 114.58 114.54 3g1f h GLU 36 Ca 0.61 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.74 3g1f h GLU 36 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3g1f h GLU 36 CO -0.40 0.22 -1.59 1.88 0.07 0.00 0.00 179.01 179.19 3g1f h TYR 37 N 0.00 0.25 -3.77 2.06 -1.99 -1.24 -3.47 116.97 108.81 3g1f h TYR 37 Ca -0.00 -0.18 -0.51 0.00 2.00 0.00 0.00 58.73 60.04 3g1f h TYR 37 Cb 0.40 -0.01 -0.20 0.00 2.00 0.00 0.00 36.73 38.92 3g1f h TYR 37 CO 0.00 1.26 -0.80 0.96 -0.00 0.00 0.00 178.16 179.58 3g1f s ILE 38 N -2.61 1.58 0.00 -2.88 -5.25 -1.01 -4.57 121.20 106.46 3g1f s ILE 38 Ca -0.08 -1.60 0.00 0.00 -0.99 0.00 0.00 60.65 57.98 3g1f s ILE 38 Cb 0.08 -1.52 0.00 0.00 2.95 0.00 0.00 42.46 43.96 3g1f s ILE 38 CO 0.83 -0.18 0.61 -0.90 -1.79 0.00 0.00 174.94 173.51 3g1f n ASP 39 N 0.90 1.15 -3.97 4.36 5.75 -1.26 -4.62 116.55 118.86 3g1f n ASP 39 Ca -0.18 -1.33 -0.29 0.00 -0.01 0.00 0.00 54.79 52.98 3g1f n ASP 39 Cb 0.55 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.47 3g1f n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1f s THR 40 N -0.33 1.38 -0.00 2.12 2.01 -1.26 -0.60 115.64 118.96 3g1f s THR 40 Ca 0.00 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.51 3g1f s THR 40 Cb 0.00 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 3g1f s THR 40 CO 0.00 0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.44 3g1f s VAL 41 N 1.56 2.72 -0.25 3.82 1.01 -0.20 -1.63 120.40 127.43 3g1f s VAL 41 Ca 0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3g1f s VAL 41 Cb -0.13 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3g1f s VAL 41 CO -0.10 0.48 0.04 -0.75 0.00 0.00 0.00 175.10 174.77 3g1f s LYS 42 N -1.01 3.44 -0.20 2.72 2.20 0.28 -1.56 119.74 125.60 3g1f s LYS 42 Ca 0.12 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 3g1f s LYS 42 Cb -0.10 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 3g1f s LYS 42 CO 0.02 -0.25 -0.03 0.42 -0.36 0.00 0.00 175.35 175.15 3g1f s ILE 43 N 1.55 3.61 0.10 5.43 1.01 -0.10 -1.74 121.20 131.06 3g1f s ILE 43 Ca 0.05 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3g1f s ILE 43 Cb -0.15 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.70 3g1f s ILE 43 CO 0.01 0.44 0.09 0.61 0.00 0.00 0.00 174.94 176.09 3g1f n GLY 44 N 4.37 2.83 0.25 6.18 0.00 -1.26 -1.07 105.19 116.49 3g1f n GLY 44 Ca -0.18 -2.19 0.10 0.00 0.00 0.00 0.00 46.02 43.75 3g1f n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1f h TYR 45 N 0.45 0.00 -0.44 1.61 0.99 -1.96 -2.46 116.97 115.15 3g1f h TYR 45 Ca -0.06 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.71 3g1f h TYR 45 Cb 0.24 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.93 3g1f h TYR 45 CO 0.00 0.13 0.20 -1.35 -0.00 0.00 0.00 178.16 177.14 3g1f h PRO 46 N 0.00 0.39 0.01 4.88 0.11 -1.93 0.92 132.00 136.39 3g1f h PRO 46 Ca -0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3g1f h PRO 46 Cb 0.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3g1f h PRO 46 CO 0.02 0.26 -0.18 1.25 -0.21 0.00 0.00 178.00 179.14 3g1f h LEU 47 N 0.41 0.14 -0.46 2.35 5.85 -1.74 -3.03 115.31 118.83 3g1f h LEU 47 Ca 0.20 -0.83 0.03 0.00 0.84 0.00 0.00 57.88 58.11 3g1f h LEU 47 Cb 0.13 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3g1f h LEU 47 CO -0.16 0.96 0.24 0.58 -0.34 0.00 0.00 178.44 179.73 3g1f h VAL 48 N -0.66 0.99 0.00 1.05 2.07 -1.41 0.18 116.25 118.47 3g1f h VAL 48 Ca -0.03 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3g1f h VAL 48 Cb 1.00 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3g1f h VAL 48 CO 0.04 0.09 -0.23 -0.07 0.02 0.00 0.00 177.57 177.42 3g1f h LEU 49 N 0.48 0.00 0.03 2.57 3.38 -0.94 0.25 115.31 121.08 3g1f h LEU 49 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 3g1f h LEU 49 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3g1f h LEU 49 CO -0.12 0.23 -0.49 0.28 0.09 0.00 0.00 178.44 178.42 3g1f h SER 50 N 0.00 0.10 -0.16 -0.43 0.02 -1.29 -3.40 113.55 108.38 3g1f h SER 50 Ca -0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 3g1f h SER 50 Cb 0.76 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3g1f h SER 50 CO 0.03 1.21 0.00 -0.62 -1.14 0.00 0.00 176.83 176.31 3g1f n GLU 51 N -4.45 1.88 0.00 3.45 -0.58 0.59 -5.04 120.64 116.49 3g1f n GLU 51 Ca -0.16 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.77 3g1f n GLU 51 Cb 0.60 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 3g1f n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1f n GLY 52 N 1.08 0.49 0.02 0.62 0.00 0.89 -4.48 105.19 103.81 3g1f n GLY 52 Ca 0.13 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.51 3g1f n GLY 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g1f n MET 53 N 0.59 0.03 0.00 1.61 2.81 -1.26 -2.14 117.12 118.77 3g1f n MET 53 Ca 0.00 0.24 0.14 0.00 -1.81 0.00 0.00 57.70 56.27 3g1f n MET 53 Cb 0.00 -1.56 0.57 0.00 -0.71 0.00 0.00 33.22 31.52 3g1f n MET 53 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3g1f n ASP 54 N -1.61 0.09 0.30 7.83 8.00 -1.26 -2.91 116.55 126.98 3g1f n ASP 54 Ca 0.04 0.42 0.16 0.00 0.71 0.00 0.00 54.79 56.12 3g1f n ASP 54 Cb 0.20 -0.42 0.93 0.00 -0.02 0.00 0.00 41.12 41.81 3g1f n ASP 54 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3g1f h ILE 55 N 0.00 0.40 0.06 0.53 6.09 -1.65 -2.49 117.51 120.45 3g1f h ILE 55 Ca 0.00 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3g1f h ILE 55 Cb 0.51 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.90 3g1f h ILE 55 CO 0.00 0.03 -0.03 0.40 -3.07 0.00 0.00 178.15 175.48 3g1f h ILE 56 N 0.00 1.21 -0.70 2.19 2.04 -1.76 -2.92 117.51 117.57 3g1f h ILE 56 Ca -0.00 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3g1f h ILE 56 Cb 0.10 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3g1f h ILE 56 CO 0.00 0.25 0.46 0.00 0.00 0.00 0.00 178.15 178.86 3g1f h ALA 57 N 0.34 1.53 -0.05 1.87 0.00 -1.58 -1.61 119.26 119.76 3g1f h ALA 57 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3g1f h ALA 57 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3g1f h ALA 57 CO 0.01 0.42 -0.35 1.49 0.00 0.00 0.00 179.25 180.83 3g1f h GLU 58 N 0.92 0.10 -0.30 0.00 4.81 -1.50 0.11 114.58 118.71 3g1f h GLU 58 Ca 0.26 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 3g1f h GLU 58 Cb -0.06 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3g1f h GLU 58 CO -0.06 0.44 -0.39 0.74 -0.73 0.00 0.00 179.01 179.00 3g1f h PHE 59 N 0.09 0.85 0.29 0.92 -1.00 -1.11 0.14 116.94 117.13 3g1f h PHE 59 Ca 0.01 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.53 3g1f h PHE 59 Cb 0.66 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.04 3g1f h PHE 59 CO 0.00 0.99 -0.14 0.00 -1.61 0.00 0.00 178.31 177.56 3g1f h ARG 60 N 0.59 -0.38 0.38 1.51 2.47 -0.79 -0.31 114.38 117.84 3g1f h ARG 60 Ca 0.05 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 3g1f h ARG 60 Cb 0.93 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.34 3g1f h ARG 60 CO 0.08 -0.15 -0.24 -0.22 0.56 0.00 0.00 179.97 180.00 3g1f h LYS 61 N -0.55 -0.56 0.00 0.04 3.64 -0.74 1.12 116.57 119.53 3g1f h LYS 61 Ca -0.04 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3g1f h LYS 61 Cb 0.40 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3g1f h LYS 61 CO 0.07 -0.37 0.00 0.54 -2.27 0.00 0.00 179.45 177.42 3g1f n ARG 62 N -3.78 0.05 0.00 1.90 1.74 0.50 -3.75 116.66 113.31 3g1f n ARG 62 Ca -0.07 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3g1f n ARG 62 Cb 0.24 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3g1f n ARG 62 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3g1f n PHE 63 N -1.70 0.00 -3.90 -1.55 0.99 -0.13 -5.02 117.46 106.15 3g1f n PHE 63 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.16 3g1f n PHE 63 Cb 0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.55 3g1f n PHE 63 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3g1f n GLY 64 N 0.02 -0.45 3.94 1.37 0.00 0.39 -4.91 105.19 105.55 3g1f n GLY 64 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3g1f n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f s ARG 66 N -4.07 4.54 -0.15 0.00 3.52 0.23 -4.71 118.95 118.31 3g1f s ARG 66 Ca 0.41 1.12 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 3g1f s ARG 66 Cb -0.08 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3g1f s ARG 66 CO 0.29 0.54 -0.19 0.42 -0.81 0.00 0.00 175.30 175.55 3g1f s ILE 67 N -1.01 1.92 -0.28 4.11 1.01 -1.26 -1.03 121.20 124.66 3g1f s ILE 67 Ca 0.36 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3g1f s ILE 67 Cb -0.23 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.52 3g1f s ILE 67 CO 0.25 0.52 0.08 -0.63 0.00 0.00 0.00 174.94 175.16 3g1f s ILE 68 N 1.10 4.03 -0.59 2.92 1.01 -0.60 -0.82 121.20 128.25 3g1f s ILE 68 Ca -0.01 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 59.81 3g1f s ILE 68 Cb -0.14 -3.03 0.04 0.00 0.01 0.00 0.00 42.46 39.33 3g1f s ILE 68 CO -0.07 0.15 1.11 0.00 0.00 0.00 0.00 174.94 176.13 3g1f s ALA 69 N 1.53 3.02 -1.34 9.38 0.00 0.05 -0.93 121.76 133.48 3g1f s ALA 69 Ca 0.04 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 3g1f s ALA 69 Cb -0.17 -3.96 0.10 0.00 0.00 0.00 0.00 23.12 19.09 3g1f s ALA 69 CO 0.03 -2.66 1.90 -3.47 0.00 0.00 0.00 175.76 171.56 3g1f n ASP 70 N 8.21 4.65 -0.63 0.00 -0.08 -0.24 -2.13 116.55 126.34 3g1f n ASP 70 Ca 0.05 -2.95 0.12 0.00 -1.51 0.00 0.00 54.79 50.50 3g1f n ASP 70 Cb 0.48 -1.62 0.11 0.00 2.34 0.00 0.00 41.12 42.43 3g1f n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g1f n PHE 71 N 6.00 0.00 -4.27 -0.67 0.99 -1.25 -4.18 117.46 114.08 3g1f n PHE 71 Ca 0.46 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.59 3g1f n PHE 71 Cb 0.41 -0.01 -0.08 0.00 -1.00 0.00 0.00 39.48 38.79 3g1f n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3g1f n LYS 72 N 0.40 -1.13 -1.67 -1.08 5.02 -0.23 -4.72 118.16 114.75 3g1f n LYS 72 Ca 0.12 0.12 -0.55 0.00 -2.02 0.00 0.00 58.31 55.98 3g1f n LYS 72 Cb 0.49 -3.60 -0.07 0.00 -0.02 0.00 0.00 35.03 31.84 3g1f n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1f n VAL 73 N -4.60 0.21 -2.73 -0.18 0.31 -1.02 -4.34 118.33 105.99 3g1f n VAL 73 Ca -0.31 -0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 3g1f n VAL 73 Cb 0.69 -1.11 0.05 0.00 -0.91 0.00 0.00 33.84 32.56 3g1f n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1f n ALA 74 N 4.43 2.62 -3.81 3.52 0.00 -1.26 -1.08 120.51 124.94 3g1f n ALA 74 Ca 0.24 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 51.00 3g1f n ALA 74 Cb 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3g1f n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1f n ASP 75 N -0.13 1.92 -4.83 0.00 -0.08 -1.26 -4.99 116.55 107.19 3g1f n ASP 75 Ca 0.08 -0.84 -0.31 0.00 -1.51 0.00 0.00 54.79 52.21 3g1f n ASP 75 Cb 0.81 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.32 3g1f n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1f s ILE 76 N -0.72 3.87 0.19 5.18 -4.36 -1.26 -4.74 121.20 119.36 3g1f s ILE 76 Ca 0.00 0.61 -0.19 0.00 -0.26 0.00 0.00 60.65 60.81 3g1f s ILE 76 Cb 0.00 -3.40 0.16 0.00 1.25 0.00 0.00 42.46 40.46 3g1f s ILE 76 CO 0.00 -0.79 1.60 -0.65 0.24 0.00 0.00 174.94 175.34 3g1f h PRO 77 N -0.74 -0.12 -0.45 0.37 0.11 -1.87 -0.40 132.00 128.89 3g1f h PRO 77 Ca -0.45 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.76 3g1f h PRO 77 Cb 1.22 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3g1f h PRO 77 CO 0.59 -0.08 0.01 0.93 -0.21 0.00 0.00 178.00 179.24 3g1f h GLU 78 N -0.12 0.12 -0.21 1.05 3.07 -1.95 -2.04 114.58 114.50 3g1f h GLU 78 Ca 0.25 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.92 3g1f h GLU 78 Cb 0.53 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3g1f h GLU 78 CO -0.66 0.08 -0.59 1.15 -1.40 0.00 0.00 179.01 177.59 3g1f h THR 79 N 0.13 1.30 -0.66 1.13 2.02 -1.82 -3.07 112.91 111.94 3g1f h THR 79 Ca 0.22 -1.82 0.07 0.00 0.77 0.00 0.00 66.41 65.65 3g1f h THR 79 Cb 0.32 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3g1f h THR 79 CO -0.36 0.58 0.44 0.78 0.37 0.00 0.00 175.52 177.32 3g1f h ASN 80 N 0.53 0.55 -0.42 4.18 4.21 -0.62 -0.67 115.58 123.34 3g1f h ASN 80 Ca -0.00 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.43 3g1f h ASN 80 Cb 1.18 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 3g1f h ASN 80 CO 0.12 0.35 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.19 3g1f h GLU 81 N 0.62 0.79 -0.72 0.81 5.08 -1.29 0.23 114.58 120.11 3g1f h GLU 81 Ca 0.29 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3g1f h GLU 81 Cb 0.34 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3g1f h GLU 81 CO -0.09 0.91 0.23 0.87 -1.00 0.00 0.00 179.01 179.93 3g1f h LYS 82 N 0.61 1.12 -0.58 2.33 1.57 -1.36 0.41 116.57 120.68 3g1f h LYS 82 Ca 0.11 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 3g1f h LYS 82 Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3g1f h LYS 82 CO 0.04 0.96 0.09 0.82 -0.57 0.00 0.00 179.45 180.79 3g1f h ILE 83 N 1.06 1.26 -0.31 1.86 2.04 -0.87 -1.81 117.51 120.73 3g1f h ILE 83 Ca 0.23 -0.98 -0.18 0.00 1.00 0.00 0.00 64.86 64.93 3g1f h ILE 83 Cb 0.30 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3g1f h ILE 83 CO -0.01 0.36 -0.52 0.00 0.00 0.00 0.00 178.15 177.99 3g1f h ARG 85 N 0.69 0.27 -0.20 0.00 9.65 0.07 -1.01 114.38 123.85 3g1f h ARG 85 Ca 0.02 -0.02 -0.16 0.00 -1.10 0.00 0.00 59.98 58.73 3g1f h ARG 85 Cb 1.12 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3g1f h ARG 85 CO 0.12 0.18 -0.53 0.00 2.80 0.00 0.00 179.97 182.54 3g1f h ALA 86 N 1.19 0.71 -0.50 2.80 0.00 -1.34 0.09 119.26 122.21 3g1f h ALA 86 Ca 0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3g1f h ALA 86 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3g1f h ALA 86 CO -0.13 0.68 0.11 1.15 0.00 0.00 0.00 179.25 181.06 3g1f h THR 87 N 0.45 1.24 -0.14 0.00 2.02 -1.12 0.39 112.91 115.76 3g1f h THR 87 Ca 0.01 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 3g1f h THR 87 Cb 1.07 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3g1f h THR 87 CO 0.10 0.31 -0.15 -0.26 0.37 0.00 0.00 175.52 175.89 3g1f h PHE 88 N 0.68 0.42 -0.97 3.16 0.04 -1.13 -2.12 116.94 117.02 3g1f h PHE 88 Ca 0.15 -0.13 0.21 0.00 2.80 0.00 0.00 57.97 61.01 3g1f h PHE 88 Cb 0.35 -0.09 -0.09 0.00 2.20 0.00 0.00 35.95 38.32 3g1f h PHE 88 CO 0.02 0.75 0.62 -0.22 -0.60 0.00 0.00 178.31 178.89 3g1f h LYS 89 N -0.04 0.52 0.00 1.51 3.64 -0.83 1.04 116.57 122.40 3g1f h LYS 89 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3g1f h LYS 89 Cb 0.69 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3g1f h LYS 89 CO 0.04 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.56 3g1f n ALA 90 N -2.44 2.31 -0.83 5.00 0.00 0.11 -4.85 120.51 119.82 3g1f n ALA 90 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3g1f n ALA 90 Cb 0.69 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3g1f n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1f n GLY 91 N 0.36 0.90 3.73 0.00 0.00 0.36 -3.98 105.19 106.56 3g1f n GLY 91 Ca 0.09 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 3g1f n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f s ALA 92 N -2.00 3.33 0.28 4.61 0.00 -0.82 -4.85 121.76 122.31 3g1f s ALA 92 Ca 0.00 0.23 0.12 0.00 0.00 0.00 0.00 51.96 52.31 3g1f s ALA 92 Cb 0.00 -3.01 0.47 0.00 0.00 0.00 0.00 23.12 20.58 3g1f s ALA 92 CO 0.00 -0.06 1.67 -0.44 0.00 0.00 0.00 175.76 176.93 3g1f h ASP 93 N 6.42 0.00 -5.04 0.00 3.32 -1.32 -3.42 116.42 116.38 3g1f h ASP 93 Ca -0.42 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 3g1f h ASP 93 Cb 1.20 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 3g1f h ASP 93 CO 0.74 0.54 0.08 0.00 -1.72 0.00 0.00 179.24 178.88 3g1f s ALA 94 N -3.73 -1.24 0.03 3.45 0.00 -1.07 -2.50 121.76 116.71 3g1f s ALA 94 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3g1f s ALA 94 Cb 0.13 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 3g1f s ALA 94 CO 0.75 -0.74 -0.08 -1.50 0.00 0.00 0.00 175.76 174.18 3g1f s ILE 95 N -3.80 0.59 -0.20 0.00 2.07 -0.51 -0.77 121.20 118.59 3g1f s ILE 95 Ca 0.03 -0.92 -0.08 0.00 -1.41 0.00 0.00 60.65 58.28 3g1f s ILE 95 Cb -0.00 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 3g1f s ILE 95 CO -0.10 -0.24 0.08 -0.63 -1.91 0.00 0.00 174.94 172.13 3g1f s ILE 96 N -1.08 4.84 0.07 2.00 1.01 -0.90 0.08 121.20 127.22 3g1f s ILE 96 Ca -0.06 -0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.66 3g1f s ILE 96 Cb -0.08 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 3g1f s ILE 96 CO 0.00 0.43 -0.22 -0.69 0.00 0.00 0.00 174.94 174.46 3g1f s VAL 97 N 0.60 1.81 0.35 2.92 1.01 -0.16 -1.07 120.40 125.86 3g1f s VAL 97 Ca 0.04 -1.38 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 3g1f s VAL 97 Cb -0.13 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 3g1f s VAL 97 CO 0.01 0.15 0.77 -1.00 0.00 0.00 0.00 175.10 175.03 3g1f s HIS 98 N -0.92 3.38 -0.06 5.22 3.76 -0.24 -1.33 115.29 125.10 3g1f s HIS 98 Ca 0.09 1.24 0.16 0.00 -0.15 0.00 0.00 55.06 56.39 3g1f s HIS 98 Cb -0.09 -2.56 -0.25 0.00 1.11 0.00 0.00 32.58 30.79 3g1f s HIS 98 CO 0.03 0.03 0.29 0.41 -0.85 0.00 0.00 174.74 174.65 3g1f n GLY 99 N -0.56 -0.78 0.46 -2.22 0.00 -1.24 -4.46 105.19 96.39 3g1f n GLY 99 Ca 0.04 -0.37 0.28 0.00 0.00 0.00 0.00 46.02 45.97 3g1f n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g1f h PHE 100 N 0.00 0.06 0.00 1.61 3.57 -1.93 0.77 116.94 121.03 3g1f h PHE 100 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3g1f h PHE 100 Cb 1.08 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3g1f h PHE 100 CO 0.00 0.01 0.00 -2.30 -2.23 0.00 0.00 178.31 173.79 3g1f n PRO 101 N -4.30 0.01 0.00 6.41 -0.02 -1.26 -5.01 135.00 130.84 3g1f n PRO 101 Ca 0.19 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3g1f n PRO 101 Cb 0.93 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 3g1f n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1f n GLY 102 N 0.47 2.25 0.18 -1.23 0.00 0.26 -4.72 105.19 102.40 3g1f n GLY 102 Ca 0.05 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 3g1f n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 103 N 0.00 0.50 -0.63 4.61 0.00 -1.95 -2.85 119.26 118.93 3g1f h ALA 103 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3g1f h ALA 103 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3g1f h ALA 103 CO 0.00 0.01 0.34 0.38 0.00 0.00 0.00 179.25 179.97 3g1f h ASP 104 N 0.50 0.49 -0.05 0.00 2.03 -1.99 0.93 116.42 118.33 3g1f h ASP 104 Ca 0.14 0.03 -0.04 0.00 -0.73 0.00 0.00 57.03 56.43 3g1f h ASP 104 Cb 0.03 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 3g1f h ASP 104 CO -0.02 0.32 -0.07 0.28 -1.03 0.00 0.00 179.24 178.71 3g1f h SER 105 N 0.63 0.28 0.09 4.15 0.02 -1.82 -2.20 113.55 114.70 3g1f h SER 105 Ca 0.28 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.93 3g1f h SER 105 Cb 0.19 -0.07 0.03 0.00 0.14 0.00 0.00 62.40 62.68 3g1f h SER 105 CO -0.19 0.39 -1.07 0.58 -1.14 0.00 0.00 176.83 175.41 3g1f h VAL 106 N 0.29 1.33 -0.65 2.27 2.07 -1.14 -3.28 116.25 117.13 3g1f h VAL 106 Ca 0.06 -2.38 0.08 0.00 0.82 0.00 0.00 66.70 65.28 3g1f h VAL 106 Cb 0.32 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 3g1f h VAL 106 CO 0.02 0.71 0.43 0.03 0.02 0.00 0.00 177.57 178.78 3g1f h ARG 107 N 0.15 0.58 -0.42 1.57 3.08 -0.51 0.78 114.38 119.61 3g1f h ARG 107 Ca -0.16 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 3g1f h ARG 107 Cb 1.76 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.66 3g1f h ARG 107 CO 0.21 0.38 -0.02 0.00 -1.07 0.00 0.00 179.97 179.47 3g1f h ALA 108 N 1.65 1.18 -0.05 0.04 0.00 -1.47 0.44 119.26 121.05 3g1f h ALA 108 Ca 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3g1f h ALA 108 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g1f h ALA 108 CO -0.09 0.53 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 3g1f h LEU 110 N -0.35 0.93 0.33 0.00 3.38 -0.56 -1.04 115.31 118.01 3g1f h LEU 110 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3g1f h LEU 110 Cb 0.75 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3g1f h LEU 110 CO 0.03 0.59 -0.16 0.78 0.09 0.00 0.00 178.44 179.77 3g1f h ASN 111 N 1.06 -0.38 -0.61 -0.43 2.35 -0.09 -0.55 115.58 116.94 3g1f h ASN 111 Ca 0.40 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.18 3g1f h ASN 111 Cb 0.18 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3g1f h ASN 111 CO -0.18 -0.25 0.40 0.58 -1.65 0.00 0.00 177.43 176.33 3g1f h VAL 112 N -0.46 1.09 -0.51 2.81 2.07 -1.11 0.19 116.25 120.32 3g1f h VAL 112 Ca -0.05 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3g1f h VAL 112 Cb 0.35 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3g1f h VAL 112 CO 0.07 0.13 0.18 0.00 0.02 0.00 0.00 177.57 177.97 3g1f h ALA 113 N 1.64 0.67 0.23 1.67 0.00 -0.79 -1.32 119.26 121.36 3g1f h ALA 113 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3g1f h ALA 113 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3g1f h ALA 113 CO -0.06 0.31 -0.11 0.93 0.00 0.00 0.00 179.25 180.32 3g1f h GLU 114 N 0.70 -0.30 -0.17 0.00 5.08 0.24 0.57 114.58 120.69 3g1f h GLU 114 Ca 0.17 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3g1f h GLU 114 Cb 0.25 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3g1f h GLU 114 CO -0.01 -0.15 0.23 1.49 -1.00 0.00 0.00 179.01 179.57 3g1f h GLU 115 N -0.37 0.00 -0.00 2.33 4.81 -0.50 -2.72 114.58 118.13 3g1f h GLU 115 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3g1f h GLU 115 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3g1f h GLU 115 CO 0.05 0.00 -0.08 -1.33 -0.73 0.00 0.00 179.01 176.92 3g1f n MET 116 N -3.65 2.10 -2.54 1.92 2.81 -0.52 -5.02 117.12 112.23 3g1f n MET 116 Ca 0.01 -0.46 -0.05 0.00 -1.81 0.00 0.00 57.70 55.39 3g1f n MET 116 Cb 0.34 -0.93 0.01 0.00 -0.71 0.00 0.00 33.22 31.93 3g1f n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1f n GLY 117 N 0.61 0.45 3.56 3.03 0.00 0.18 -5.05 105.19 107.97 3g1f n GLY 117 Ca 0.02 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3g1f n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1f s ARG 118 N -4.95 1.95 0.19 1.61 1.81 -0.10 -5.03 118.95 114.43 3g1f s ARG 118 Ca 0.09 -2.19 0.09 0.00 -1.72 0.00 0.00 55.73 52.00 3g1f s ARG 118 Cb -0.04 -0.87 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 3g1f s ARG 118 CO 0.11 -0.41 -0.06 -1.21 -0.68 0.00 0.00 175.30 173.05 3g1f s GLU 119 N -3.77 2.16 -0.03 3.54 2.02 -1.04 -4.40 118.70 117.18 3g1f s GLU 119 Ca 0.22 -1.25 0.04 0.00 0.02 0.00 0.00 54.97 54.00 3g1f s GLU 119 Cb 0.03 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 3g1f s GLU 119 CO 0.12 0.43 -0.13 0.08 0.02 0.00 0.00 175.26 175.78 3g1f s VAL 120 N -1.78 3.16 -0.09 2.63 1.01 -1.26 -1.42 120.40 122.65 3g1f s VAL 120 Ca 0.26 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3g1f s VAL 120 Cb -0.09 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3g1f s VAL 120 CO 0.16 0.53 -0.24 -0.36 0.00 0.00 0.00 175.10 175.19 3g1f s PHE 121 N -0.80 2.53 -0.22 5.22 0.40 0.11 -4.27 117.98 120.94 3g1f s PHE 121 Ca 0.13 -0.93 -0.08 0.00 -0.60 0.00 0.00 56.93 55.45 3g1f s PHE 121 Cb -0.11 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 3g1f s PHE 121 CO 0.02 -0.35 0.08 -1.17 0.70 0.00 0.00 175.22 174.50 3g1f s LEU 122 N 0.17 3.63 -0.35 -0.37 2.96 0.20 -0.99 118.68 123.93 3g1f s LEU 122 Ca -0.14 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.44 3g1f s LEU 122 Cb -0.17 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3g1f s LEU 122 CO 0.07 0.05 0.88 -0.22 -1.32 0.00 0.00 176.35 175.81 3g1f s LEU 123 N 1.13 4.04 -0.21 -0.68 2.96 -0.44 0.19 118.68 125.67 3g1f s LEU 123 Ca 0.05 0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 54.39 3g1f s LEU 123 Cb -0.14 -3.20 -0.13 0.00 0.50 0.00 0.00 46.19 43.22 3g1f s LEU 123 CO 0.03 -0.78 -0.08 0.35 -1.32 0.00 0.00 176.35 174.56 3g1f n THR 124 N 5.82 1.51 -4.25 3.68 -2.24 -0.93 -3.66 114.28 114.20 3g1f n THR 124 Ca 0.06 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 3g1f n THR 124 Cb 0.48 -2.10 -0.15 0.00 -2.10 0.00 0.00 70.33 66.46 3g1f n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g1f s GLU 125 N -2.44 0.62 0.43 -0.78 2.12 -1.25 -4.49 118.70 112.90 3g1f s GLU 125 Ca -0.29 -0.23 -0.07 0.00 0.36 0.00 0.00 54.97 54.74 3g1f s GLU 125 Cb 0.07 -0.61 -0.05 0.00 0.26 0.00 0.00 34.13 33.81 3g1f s GLU 125 CO 0.47 0.12 0.74 -1.64 -0.54 0.00 0.00 175.26 174.42 3g1f s MET 126 N -0.00 3.64 0.19 4.30 -1.94 -1.26 -3.49 119.30 120.74 3g1f s MET 126 Ca 0.00 0.25 0.24 0.00 -1.71 0.00 0.00 55.69 54.48 3g1f s MET 126 Cb -0.05 -2.42 0.36 0.00 2.01 0.00 0.00 34.83 34.73 3g1f s MET 126 CO -0.00 -0.08 1.38 0.66 -0.01 0.00 0.00 175.02 176.97 3g1f h SER 127 N 0.79 0.00 -4.23 3.03 4.64 -1.93 -3.44 113.55 112.41 3g1f h SER 127 Ca -0.47 -0.11 -0.50 0.00 -0.47 0.00 0.00 61.79 60.24 3g1f h SER 127 Cb 1.20 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.35 3g1f h SER 127 CO 0.63 0.06 0.36 -1.38 -0.87 0.00 0.00 176.83 175.62 3g1f s HIS 128 N -3.20 3.50 0.27 4.77 -3.43 -1.26 -4.69 115.29 111.25 3g1f s HIS 128 Ca 0.06 1.10 -0.01 0.00 -0.80 0.00 0.00 55.06 55.40 3g1f s HIS 128 Cb 0.11 -2.77 0.45 0.00 -1.43 0.00 0.00 32.58 28.94 3g1f s HIS 128 CO 0.71 -0.79 1.86 -1.35 -2.00 0.00 0.00 174.74 173.17 3g1f h PRO 129 N -0.33 1.07 0.00 -0.38 0.11 -2.00 -2.46 132.00 128.00 3g1f h PRO 129 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3g1f h PRO 129 Cb 1.22 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3g1f h PRO 129 CO 0.62 0.71 0.00 0.41 -0.21 0.00 0.00 178.00 179.53 3g1f n GLY 130 N -1.35 -0.60 0.09 -0.55 0.00 -1.26 -2.30 105.19 99.21 3g1f n GLY 130 Ca 0.16 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3g1f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f n ALA 131 N -1.52 1.47 0.14 4.61 0.00 -0.93 -2.78 120.51 121.50 3g1f n ALA 131 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.53 3g1f n ALA 131 Cb 0.03 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.22 3g1f n ALA 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g1f h GLU 132 N 0.00 0.00 -0.37 0.00 5.08 -1.70 0.10 114.58 117.69 3g1f h GLU 132 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3g1f h GLU 132 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3g1f h GLU 132 CO 0.00 0.52 0.16 0.52 -1.00 0.00 0.00 179.01 179.21 3g1f h MET 133 N 0.00 0.55 0.00 2.33 2.86 -1.77 -3.41 114.93 115.48 3g1f h MET 133 Ca -0.01 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3g1f h MET 133 Cb 1.38 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.95 3g1f h MET 133 CO 0.07 0.52 -0.29 1.19 1.06 0.00 0.00 176.91 179.45 3g1f n PHE 134 N -4.69 0.00 -0.02 -0.22 3.01 -1.26 -4.83 117.46 109.46 3g1f n PHE 134 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 3g1f n PHE 134 Cb 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.52 3g1f n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g1f h ILE 135 N 0.00 1.31 -0.53 4.37 2.04 -1.77 -3.06 117.51 119.87 3g1f h ILE 135 Ca 0.00 -1.92 0.01 0.00 1.00 0.00 0.00 64.86 63.95 3g1f h ILE 135 Cb 0.29 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3g1f h ILE 135 CO 0.00 0.60 0.34 -0.61 0.00 0.00 0.00 178.15 178.48 3g1f h GLN 136 N 0.37 0.67 -1.00 2.37 4.15 -1.03 0.25 115.11 120.90 3g1f h GLN 136 Ca -0.05 -0.04 0.16 0.00 0.77 0.00 0.00 58.65 59.49 3g1f h GLN 136 Cb 1.32 -0.15 -0.09 0.00 0.21 0.00 0.00 27.48 28.76 3g1f h GLN 136 CO 0.14 0.44 0.62 0.78 -1.93 0.00 0.00 178.83 178.88 3g1f h GLY 137 N 0.69 1.67 -1.55 2.39 0.00 -1.78 -2.30 103.07 102.20 3g1f h GLY 137 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3g1f h GLY 137 CO -0.06 0.04 -0.19 0.00 0.00 0.00 0.00 176.54 176.34 3g1f n ALA 138 N -2.35 2.89 -0.07 3.60 0.00 -0.79 -4.68 120.51 119.10 3g1f n ALA 138 Ca 0.21 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 3g1f n ALA 138 Cb 0.48 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 3g1f n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1f h ALA 139 N 4.33 -0.60 -0.32 0.00 0.00 0.08 -1.36 119.26 121.39 3g1f h ALA 139 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3g1f h ALA 139 Cb 0.89 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 3g1f h ALA 139 CO 0.00 -0.95 -0.10 -0.44 0.00 0.00 0.00 179.25 177.76 3g1f h ASP 140 N -0.43 -0.36 -0.27 0.00 5.19 -1.83 0.17 116.42 118.89 3g1f h ASP 140 Ca 0.09 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 3g1f h ASP 140 Cb 0.62 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 3g1f h ASP 140 CO -0.51 -0.13 0.07 -0.08 -3.12 0.00 0.00 179.24 175.47 3g1f h GLU 141 N -0.03 0.51 -0.42 3.56 4.81 -1.82 -1.82 114.58 119.38 3g1f h GLU 141 Ca 0.16 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3g1f h GLU 141 Cb 0.27 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3g1f h GLU 141 CO -0.35 0.49 -0.20 0.82 -0.73 0.00 0.00 179.01 179.04 3g1f h ILE 142 N 0.50 1.27 -0.62 2.32 2.04 -0.08 -1.47 117.51 121.47 3g1f h ILE 142 Ca 0.12 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 3g1f h ILE 142 Cb 0.22 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3g1f h ILE 142 CO -0.00 0.45 0.05 0.00 0.00 0.00 0.00 178.15 178.65 3g1f h ALA 143 N 1.05 0.91 -0.03 1.87 0.00 0.07 -0.98 119.26 122.15 3g1f h ALA 143 Ca 0.10 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3g1f h ALA 143 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3g1f h ALA 143 CO 0.06 0.66 -0.41 0.00 0.00 0.00 0.00 179.25 179.55 3g1f h ARG 144 N 0.98 0.06 -0.35 0.00 3.08 -1.16 -1.92 114.38 115.07 3g1f h ARG 144 Ca 0.19 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 3g1f h ARG 144 Cb 0.49 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3g1f h ARG 144 CO 0.02 0.47 -0.09 1.98 -1.07 0.00 0.00 179.97 181.28 3g1f h MET 145 N 0.05 0.68 -0.39 0.04 4.05 -0.92 -1.01 114.93 117.43 3g1f h MET 145 Ca 0.00 -0.26 0.07 0.00 -0.28 0.00 0.00 59.70 59.23 3g1f h MET 145 Cb 0.76 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.46 3g1f h MET 145 CO 0.06 0.84 0.03 0.78 0.23 0.00 0.00 176.91 178.85 3g1f h GLY 146 N 0.46 0.41 0.85 1.39 0.00 -0.55 -1.27 103.07 104.37 3g1f h GLY 146 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3g1f h GLY 146 CO 0.04 -0.07 -0.00 -2.08 0.00 0.00 0.00 176.54 174.42 3g1f h VAL 147 N 0.14 0.93 0.00 4.60 2.07 -1.11 0.16 116.25 123.05 3g1f h VAL 147 Ca 0.19 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3g1f h VAL 147 Cb 0.25 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3g1f h VAL 147 CO -0.29 0.00 -0.10 0.44 0.02 0.00 0.00 177.57 177.64 3g1f h ASP 148 N 0.03 0.00 0.34 0.57 3.32 -0.67 0.11 116.42 120.11 3g1f h ASP 148 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3g1f h ASP 148 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3g1f h ASP 148 CO -0.08 0.10 -0.16 0.18 -1.72 0.00 0.00 179.24 177.56 3g1f n LEU 149 N -4.15 0.64 0.00 1.55 4.77 -0.53 -4.93 117.00 114.36 3g1f n LEU 149 Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3g1f n LEU 149 Cb 0.18 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3g1f n LEU 149 CO 0.33 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3g1f n GLY 150 N 1.31 0.47 3.71 -0.72 0.00 0.02 -5.02 105.19 104.96 3g1f n GLY 150 Ca 0.13 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3g1f n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1f s VAL 151 N -2.00 4.45 -2.47 1.61 1.01 0.47 -4.92 120.40 118.55 3g1f s VAL 151 Ca 0.00 1.76 0.20 0.00 0.00 0.00 0.00 61.98 63.94 3g1f s VAL 151 Cb 0.00 -4.13 0.20 0.00 0.00 0.00 0.00 36.38 32.45 3g1f s VAL 151 CO 0.00 0.10 1.17 0.29 0.00 0.00 0.00 175.10 176.67 3g1f n LYS 152 N 4.20 1.90 -4.03 2.72 5.02 -1.26 -4.56 118.16 122.16 3g1f n LYS 152 Ca 0.08 -1.78 -0.21 0.00 -2.02 0.00 0.00 58.31 54.38 3g1f n LYS 152 Cb 0.48 -1.40 -0.17 0.00 -0.02 0.00 0.00 35.03 33.93 3g1f n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1f s ASN 153 N -1.64 1.19 0.29 4.39 0.01 -1.26 -1.32 114.94 116.61 3g1f s ASN 153 Ca 0.25 -0.12 0.06 0.00 -0.71 0.00 0.00 52.86 52.34 3g1f s ASN 153 Cb 0.17 -0.46 -0.06 0.00 0.41 0.00 0.00 41.25 41.31 3g1f s ASN 153 CO 0.26 -0.10 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.40 3g1f s TYR 154 N 1.27 1.97 -0.06 2.20 1.51 0.12 -0.62 117.35 123.73 3g1f s TYR 154 Ca -0.06 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.28 3g1f s TYR 154 Cb -0.14 -1.17 0.01 0.00 -0.11 0.00 0.00 41.96 40.56 3g1f s TYR 154 CO -0.02 0.24 -0.11 0.08 -1.11 0.00 0.00 175.55 174.63 3g1f s VAL 155 N -3.05 1.04 0.06 0.71 1.01 0.13 -1.95 120.40 118.35 3g1f s VAL 155 Ca 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3g1f s VAL 155 Cb 0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3g1f s VAL 155 CO 0.13 0.33 -0.05 -0.83 0.00 0.00 0.00 175.10 174.68 3g1f s GLY 156 N 0.70 0.53 -0.01 4.51 0.00 -0.53 -2.19 107.32 110.33 3g1f s GLY 156 Ca -0.14 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 3g1f s GLY 156 CO 0.03 -1.18 1.28 2.56 0.00 0.00 0.00 173.10 175.79 3g1f s PRO 157 N -3.15 4.34 0.31 2.90 0.04 -1.23 -3.23 135.00 134.98 3g1f s PRO 157 Ca 0.02 1.82 0.17 0.00 0.04 0.00 0.00 61.00 63.05 3g1f s PRO 157 Cb 0.02 -3.51 0.13 0.00 0.04 0.00 0.00 34.50 31.17 3g1f s PRO 157 CO -0.05 -0.46 1.47 0.77 0.04 0.00 0.00 177.00 178.76 3g1f h SER 158 N 7.44 0.00 0.00 6.66 0.02 -1.71 -3.26 113.55 122.70 3g1f h SER 158 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3g1f h SER 158 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3g1f h SER 158 CO 0.87 0.38 0.00 0.35 -1.14 0.00 0.00 176.83 177.29 3g1f n THR 159 N -3.18 0.00 -2.78 -2.27 -2.24 -1.26 -4.00 114.28 98.54 3g1f n THR 159 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3g1f n THR 159 Cb 0.69 -0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3g1f n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g1f n ARG 160 N -0.44 0.64 -0.28 -0.78 1.74 -1.23 -5.01 116.66 111.29 3g1f n ARG 160 Ca 0.00 -1.96 0.06 0.00 -0.77 0.00 0.00 57.85 55.18 3g1f n ARG 160 Cb 0.02 -1.47 0.20 0.00 -1.02 0.00 0.00 32.46 30.19 3g1f n ARG 160 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3g1f h PRO 161 N 4.58 0.54 -0.61 5.56 0.13 -1.77 0.16 132.00 140.59 3g1f h PRO 161 Ca -0.02 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.15 3g1f h PRO 161 Cb 1.07 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 3g1f h PRO 161 CO 0.16 0.36 0.41 1.05 -0.23 0.00 0.00 178.00 179.75 3g1f h GLU 162 N 0.56 0.51 0.16 0.86 9.09 -1.95 0.49 114.58 124.29 3g1f h GLU 162 Ca 0.44 -0.03 -0.31 0.00 0.05 0.00 0.00 59.36 59.51 3g1f h GLU 162 Cb 0.62 -0.12 0.03 0.00 -1.65 0.00 0.00 28.75 27.63 3g1f h GLU 162 CO -0.37 0.34 -1.30 0.00 0.05 0.00 0.00 179.01 177.73 3g1f h ARG 163 N 0.53 0.56 -0.29 1.06 2.47 -1.24 -2.95 114.38 114.52 3g1f h ARG 163 Ca 0.27 -0.81 -0.05 0.00 -1.26 0.00 0.00 59.98 58.13 3g1f h ARG 163 Cb 0.39 0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 3g1f h ARG 163 CO -0.08 1.37 -0.06 1.25 0.56 0.00 0.00 179.97 183.01 3g1f h LEU 164 N 0.22 0.43 -0.39 3.04 5.85 0.78 -2.43 115.31 122.81 3g1f h LEU 164 Ca -0.20 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.35 3g1f h LEU 164 Cb 1.98 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 3g1f h LEU 164 CO 0.24 0.54 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.55 3g1f h SER 165 N 0.43 0.73 0.20 1.25 0.87 -0.12 -2.89 113.55 114.03 3g1f h SER 165 Ca 0.09 -0.34 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 3g1f h SER 165 Cb 0.38 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3g1f h SER 165 CO 0.02 0.90 -0.22 -0.09 -0.53 0.00 0.00 176.83 176.91 3g1f h ARG 166 N 0.55 -0.45 -0.62 2.24 9.65 -1.27 -1.72 114.38 122.77 3g1f h ARG 166 Ca 0.10 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.13 3g1f h ARG 166 Cb 0.56 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 29.12 3g1f h ARG 166 CO 0.03 -0.30 -0.30 1.25 2.80 0.00 0.00 179.97 183.46 3g1f h LEU 167 N -0.46 -1.04 -0.70 3.80 6.46 -1.46 0.23 115.31 122.14 3g1f h LEU 167 Ca 0.00 0.22 0.12 0.00 -0.12 0.00 0.00 57.88 58.10 3g1f h LEU 167 Cb 0.44 0.54 -0.08 0.00 -0.73 0.00 0.00 40.66 40.83 3g1f h LEU 167 CO -0.06 -0.29 0.28 -0.09 -0.62 0.00 0.00 178.44 177.66 3g1f h ARG 168 N -0.12 0.44 -0.40 1.25 9.65 -1.26 0.48 114.38 124.42 3g1f h ARG 168 Ca 0.26 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.17 3g1f h ARG 168 Cb 0.54 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.98 3g1f h ARG 168 CO -0.69 0.29 0.11 0.93 2.80 0.00 0.00 179.97 183.41 3g1f h GLU 169 N 0.45 0.25 0.68 0.20 5.08 0.32 0.65 114.58 122.21 3g1f h GLU 169 Ca 0.37 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 3g1f h GLU 169 Cb 0.50 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.70 3g1f h GLU 169 CO -0.35 0.17 -0.32 0.82 -1.00 0.00 0.00 179.01 178.32 3g1f h ILE 170 N 0.26 0.00 0.00 3.13 2.04 0.44 -3.19 117.51 120.19 3g1f h ILE 170 Ca 0.19 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3g1f h ILE 170 Cb 0.19 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3g1f h ILE 170 CO -0.21 0.00 -0.00 0.16 0.00 0.00 0.00 178.15 178.09 3g1f h ILE 171 N -1.07 0.02 -0.45 -0.67 3.07 -0.03 -3.49 117.51 114.89 3g1f h ILE 171 Ca -0.09 -0.23 0.05 0.00 1.55 0.00 0.00 64.86 66.14 3g1f h ILE 171 Cb 0.70 1.23 -0.02 0.00 -0.27 0.00 0.00 36.82 38.45 3g1f h ILE 171 CO 0.15 0.00 -0.10 0.61 -1.05 0.00 0.00 178.15 177.77 3g1f n GLY 172 N -0.60 -1.75 0.15 0.16 0.00 0.22 -4.13 105.19 99.25 3g1f n GLY 172 Ca -0.01 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.67 3g1f n GLY 172 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g1f h GLN 173 N -0.18 0.00 0.00 1.61 1.08 -1.92 -3.18 115.11 112.52 3g1f h GLN 173 Ca -0.01 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3g1f h GLN 173 Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3g1f h GLN 173 CO 0.00 0.00 -0.33 0.38 -0.95 0.00 0.00 178.83 177.93 3g1f h ASP 174 N 0.00 0.00 -3.63 1.46 2.03 -1.97 -3.46 116.42 110.85 3g1f h ASP 174 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3g1f h ASP 174 Cb 0.59 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.07 3g1f h ASP 174 CO 0.00 0.21 0.27 -0.44 -1.03 0.00 0.00 179.24 178.25 3g1f s SER 175 N -6.21 7.51 -0.08 4.15 0.01 -1.20 -4.85 113.70 113.02 3g1f s SER 175 Ca 0.05 1.79 -0.26 0.00 1.31 0.00 0.00 55.95 58.84 3g1f s SER 175 Cb 0.06 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 3g1f s SER 175 CO 0.71 0.17 0.82 0.12 0.41 0.00 0.00 173.24 175.48 3g1f s PHE 176 N -1.10 3.55 -0.10 2.43 5.36 -0.43 -4.94 117.98 122.74 3g1f s PHE 176 Ca 0.39 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 57.75 3g1f s PHE 176 Cb -0.24 -2.96 0.02 0.00 -0.34 0.00 0.00 43.02 39.49 3g1f s PHE 176 CO 0.29 -0.05 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.69 3g1f s LEU 177 N 1.33 1.63 0.11 6.12 2.96 -1.26 -0.70 118.68 128.86 3g1f s LEU 177 Ca 0.42 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3g1f s LEU 177 Cb -0.18 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3g1f s LEU 177 CO 0.19 0.01 -0.23 0.27 -1.32 0.00 0.00 176.35 175.26 3g1f s ILE 178 N 0.98 2.51 -0.05 6.68 -4.36 -0.82 0.21 121.20 126.35 3g1f s ILE 178 Ca -0.08 -1.57 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 3g1f s ILE 178 Cb -0.15 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.47 3g1f s ILE 178 CO -0.01 0.15 -0.07 -0.55 0.24 0.00 0.00 174.94 174.70 3g1f s SER 179 N -1.94 1.13 0.28 4.36 0.15 -0.28 -1.45 113.70 115.95 3g1f s SER 179 Ca 0.15 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.70 3g1f s SER 179 Cb -0.10 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.67 3g1f s SER 179 CO 0.07 -0.02 0.31 -2.16 1.20 0.00 0.00 173.24 172.64 3g1f s PRO 180 N 0.75 3.06 0.00 5.44 0.04 -1.20 -0.22 135.00 142.87 3g1f s PRO 180 Ca -0.11 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 59.91 3g1f s PRO 180 Cb -0.14 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3g1f s PRO 180 CO 0.01 0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.74 3g1f n GLY 181 N -1.37 0.79 3.66 0.56 0.00 -1.26 -1.93 105.19 105.64 3g1f n GLY 181 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3g1f n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1f s VAL 182 N -2.00 4.43 0.00 1.61 1.01 -1.26 -0.28 120.40 123.91 3g1f s VAL 182 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3g1f s VAL 182 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3g1f s VAL 182 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.50 3g1f n GLY 183 N 3.59 0.86 0.36 4.51 0.00 0.37 -4.63 105.19 110.25 3g1f n GLY 183 Ca 0.13 -1.08 0.28 0.00 0.00 0.00 0.00 46.02 45.36 3g1f n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 184 N 0.00 2.17 -0.00 4.61 0.00 -1.90 0.83 119.26 124.98 3g1f h ALA 184 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3g1f h ALA 184 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g1f h ALA 184 CO 0.00 -0.82 -0.11 1.04 0.00 0.00 0.00 179.25 179.36 3g1f n GLN 185 N -5.01 0.52 0.00 0.00 6.02 -1.24 -4.94 117.38 112.73 3g1f n GLN 185 Ca 0.34 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3g1f n GLN 185 Cb 1.14 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.90 3g1f n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g1f n GLY 186 N 1.32 2.80 3.76 1.08 0.00 0.29 -4.90 105.19 109.54 3g1f n GLY 186 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3g1f n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g1f s GLY 187 N -2.48 2.52 -0.24 -0.02 0.00 0.61 -4.65 107.32 103.06 3g1f s GLY 187 Ca 0.00 1.39 -0.16 0.00 0.00 0.00 0.00 44.72 45.95 3g1f s GLY 187 CO 0.00 2.25 0.43 -0.35 0.00 0.00 0.00 173.10 175.43 3g1f s ASP 188 N 0.14 6.40 0.00 1.64 2.15 -1.26 -0.48 116.67 125.25 3g1f s ASP 188 Ca 0.57 0.47 0.00 0.00 0.43 0.00 0.00 52.55 54.02 3g1f s ASP 188 Cb -0.43 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3g1f s ASP 188 CO 0.49 -0.17 0.81 -2.65 -0.17 0.00 0.00 175.17 173.48 3g1f n PRO 189 N 5.04 0.00 -0.30 4.34 -0.02 -1.26 -0.57 135.00 142.23 3g1f n PRO 189 Ca -0.07 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.19 3g1f n PRO 189 Cb 0.51 -1.23 0.11 0.00 -0.02 0.00 0.00 33.50 32.86 3g1f n PRO 189 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3g1f h GLY 190 N 0.00 1.28 2.00 -1.23 0.00 -1.96 0.38 103.07 103.54 3g1f h GLY 190 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 3g1f h GLY 190 CO 0.00 0.57 -0.17 -2.09 0.00 0.00 0.00 176.54 174.85 3g1f h GLU 191 N 1.19 0.00 0.15 4.80 4.57 -1.83 -2.12 114.58 121.34 3g1f h GLU 191 Ca 0.29 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.17 3g1f h GLU 191 Cb 0.07 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3g1f h GLU 191 CO -0.04 0.17 -1.41 1.15 -1.18 0.00 0.00 179.01 177.70 3g1f h THR 192 N 0.00 1.31 0.00 0.32 2.02 0.07 -3.29 112.91 113.34 3g1f h THR 192 Ca -0.00 -2.88 0.00 0.00 0.77 0.00 0.00 66.41 64.30 3g1f h THR 192 Cb 0.35 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 3g1f h THR 192 CO 0.02 0.85 0.00 0.18 0.37 0.00 0.00 175.52 176.94 3g1f n LEU 193 N -3.54 0.00 0.03 2.58 4.77 0.04 -2.18 117.00 118.69 3g1f n LEU 193 Ca -0.13 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 3g1f n LEU 193 Cb 1.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.11 3g1f n LEU 193 CO 0.54 0.00 0.29 0.03 -1.33 0.00 0.00 177.39 176.91 3g1f h ARG 194 N 0.00 0.57 0.00 3.23 3.08 -1.60 -3.39 114.38 116.27 3g1f h ARG 194 Ca 0.00 -0.49 -0.32 0.00 0.07 0.00 0.00 59.98 59.24 3g1f h ARG 194 Cb 0.00 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3g1f h ARG 194 CO 0.00 1.11 -2.20 1.19 -1.07 0.00 0.00 179.97 179.00 3g1f n PHE 195 N -3.86 0.00 -2.70 3.04 3.01 -1.04 -5.01 117.46 110.90 3g1f n PHE 195 Ca -0.06 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.11 3g1f n PHE 195 Cb 0.75 -0.81 -0.02 0.00 -0.01 0.00 0.00 39.48 39.39 3g1f n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g1f s ALA 196 N -2.42 3.35 -0.73 4.37 0.00 -0.93 -4.89 121.76 120.51 3g1f s ALA 196 Ca -0.29 -0.30 0.24 0.00 0.00 0.00 0.00 51.96 51.62 3g1f s ALA 196 Cb 0.08 -2.69 0.38 0.00 0.00 0.00 0.00 23.12 20.89 3g1f s ALA 196 CO 0.47 -0.18 1.33 -0.25 0.00 0.00 0.00 175.76 177.14 3g1f n ASP 197 N -1.75 0.63 -3.55 0.00 8.00 0.13 -4.52 116.55 115.48 3g1f n ASP 197 Ca 0.02 0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.37 3g1f n ASP 197 Cb 0.54 0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.80 3g1f n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g1f s ALA 198 N -3.13 -1.80 0.02 2.24 0.00 -1.09 -4.75 121.76 113.25 3g1f s ALA 198 Ca 0.07 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.57 3g1f s ALA 198 Cb 0.15 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3g1f s ALA 198 CO 0.72 -0.35 -0.04 0.96 0.00 0.00 0.00 175.76 177.05 3g1f s ILE 199 N -0.81 3.87 -0.21 0.00 -4.36 0.28 -1.13 121.20 118.84 3g1f s ILE 199 Ca -0.07 -0.76 -0.08 0.00 -0.26 0.00 0.00 60.65 59.47 3g1f s ILE 199 Cb -0.01 -2.73 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 3g1f s ILE 199 CO 0.07 0.34 0.10 -0.63 0.24 0.00 0.00 174.94 175.05 3g1f s ILE 200 N -1.08 4.94 -0.08 8.37 1.01 0.70 -0.28 121.20 134.79 3g1f s ILE 200 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3g1f s ILE 200 Cb -0.11 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.12 3g1f s ILE 200 CO 0.10 0.41 -0.06 -0.69 0.00 0.00 0.00 174.94 174.71 3g1f s VAL 201 N 0.72 0.75 0.00 2.92 1.01 -0.48 -3.99 120.40 121.33 3g1f s VAL 201 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3g1f s VAL 201 Cb -0.13 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.46 3g1f s VAL 201 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3g1f n GLY 202 N 4.60 0.13 0.28 4.51 0.00 -1.26 -1.69 105.19 111.77 3g1f n GLY 202 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3g1f n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1f h ARG 203 N 0.00 0.15 0.00 1.61 3.08 -1.94 0.02 114.38 117.30 3g1f h ARG 203 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3g1f h ARG 203 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3g1f h ARG 203 CO 0.00 0.10 0.22 0.43 -1.07 0.00 0.00 179.97 179.65 3g1f n SER 204 N -5.29 0.26 -0.01 7.04 7.64 -1.26 -1.19 113.62 120.81 3g1f n SER 204 Ca 0.16 0.51 -0.01 0.00 1.01 0.00 0.00 58.87 60.54 3g1f n SER 204 Cb 0.53 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 3g1f n SER 204 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3g1f n ILE 205 N -1.86 0.07 -0.04 0.44 5.41 -0.07 -4.45 119.36 118.86 3g1f n ILE 205 Ca -0.01 -0.04 0.11 0.00 1.00 0.00 0.00 62.75 63.81 3g1f n ILE 205 Cb 0.24 -0.83 0.29 0.00 -0.71 0.00 0.00 39.64 38.63 3g1f n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1f n TYR 206 N -2.21 0.82 -0.01 1.39 0.18 -0.80 -4.03 117.16 112.50 3g1f n TYR 206 Ca -0.02 -0.41 0.00 0.00 1.88 0.00 0.00 57.90 59.35 3g1f n TYR 206 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3g1f n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3g1f n LEU 207 N 1.46 0.10 -4.80 -3.48 4.77 -0.34 -5.00 117.00 109.71 3g1f n LEU 207 Ca 0.22 -0.49 -0.34 0.00 -0.03 0.00 0.00 56.01 55.36 3g1f n LEU 207 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 3g1f n LEU 207 CO 0.15 0.02 0.68 0.00 -1.33 0.00 0.00 177.39 176.92 3g1f s ALA 208 N -0.80 3.01 0.32 -1.18 0.00 -1.25 -4.94 121.76 116.93 3g1f s ALA 208 Ca 0.00 0.53 0.11 0.00 0.00 0.00 0.00 51.96 52.59 3g1f s ALA 208 Cb 0.00 -3.21 0.96 0.00 0.00 0.00 0.00 23.12 20.87 3g1f s ALA 208 CO 0.00 -0.06 1.68 -0.44 0.00 0.00 0.00 175.76 176.94 3g1f h ASP 209 N 2.04 0.47 -3.31 0.00 3.45 -1.96 -3.26 116.42 113.84 3g1f h ASP 209 Ca -0.49 0.18 -0.60 0.00 0.43 0.00 0.00 57.03 56.55 3g1f h ASP 209 Cb 1.20 0.13 -0.40 0.00 -0.56 0.00 0.00 39.33 39.70 3g1f h ASP 209 CO 0.61 -0.07 -0.75 0.21 -1.57 0.00 0.00 179.24 177.67 3g1f s ASN 210 N -5.02 4.18 0.09 6.45 2.47 -1.26 -5.02 114.94 116.82 3g1f s ASN 210 Ca -0.11 -1.84 -0.36 0.00 0.42 0.00 0.00 52.86 50.98 3g1f s ASN 210 Cb 0.28 -1.06 -0.17 0.00 -1.45 0.00 0.00 41.25 38.86 3g1f s ASN 210 CO 0.79 -0.40 1.56 -0.65 -3.72 0.00 0.00 177.10 174.69 3g1f h PRO 211 N 7.87 -0.93 -0.16 0.43 0.11 -1.70 0.02 132.00 137.65 3g1f h PRO 211 Ca -0.10 0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.11 3g1f h PRO 211 Cb 1.01 0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3g1f h PRO 211 CO 0.48 -0.62 0.38 0.00 -0.21 0.00 0.00 178.00 178.04 3g1f h ALA 212 N -0.80 1.64 0.16 -0.75 0.00 -1.84 0.50 119.26 118.17 3g1f h ALA 212 Ca -0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 3g1f h ALA 212 Cb 0.86 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3g1f h ALA 212 CO -0.10 -0.46 -1.39 0.00 0.00 0.00 0.00 179.25 177.30 3g1f h ALA 213 N 1.38 0.06 -0.43 0.00 0.00 -1.48 -2.97 119.26 115.83 3g1f h ALA 213 Ca 0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 3g1f h ALA 213 Cb 0.83 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3g1f h ALA 213 CO -0.00 0.93 -0.10 0.00 0.00 0.00 0.00 179.25 180.08 3g1f h ALA 214 N 0.43 0.59 -0.65 0.00 0.00 0.17 -1.39 119.26 118.42 3g1f h ALA 214 Ca -0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3g1f h ALA 214 Cb 2.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3g1f h ALA 214 CO 0.21 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3g1f n ALA 215 N -2.46 -0.32 -0.45 0.00 0.00 -0.46 -1.24 120.51 115.58 3g1f n ALA 215 Ca -0.01 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.82 3g1f n ALA 215 Cb 0.37 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.49 3g1f n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1f h ALA 216 N -2.00 2.73 -0.13 0.00 0.00 -1.63 0.64 119.26 118.88 3g1f h ALA 216 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g1f h ALA 216 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3g1f h ALA 216 CO 0.00 -1.44 0.00 0.41 0.00 0.00 0.00 179.25 178.22 3g1f n GLY 217 N -1.48 -2.12 0.29 0.00 0.00 -0.52 -2.64 105.19 98.71 3g1f n GLY 217 Ca 0.40 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.46 3g1f n GLY 217 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g1f h ILE 218 N 0.00 0.24 -0.99 -0.61 2.04 0.46 1.01 117.51 119.66 3g1f h ILE 218 Ca 0.00 -0.01 0.25 0.00 1.00 0.00 0.00 64.86 66.10 3g1f h ILE 218 Cb 0.00 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.21 3g1f h ILE 218 CO 0.00 0.01 0.66 0.40 0.00 0.00 0.00 178.15 179.22 3g1f h ILE 219 N 0.03 0.57 -0.23 -0.67 2.04 -1.09 0.61 117.51 118.78 3g1f h ILE 219 Ca 0.40 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 66.07 3g1f h ILE 219 Cb 0.67 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3g1f h ILE 219 CO -0.78 0.06 -0.20 -0.08 0.00 0.00 0.00 178.15 177.15 3g1f h GLU 220 N 0.30 0.53 0.00 2.37 4.57 0.13 -2.39 114.58 120.09 3g1f h GLU 220 Ca 0.52 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3g1f h GLU 220 Cb 1.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 3g1f h GLU 220 CO -0.18 0.85 0.11 0.66 -1.18 0.00 0.00 179.01 179.27 3g1f h SER 221 N 0.23 0.00 -0.02 1.04 4.64 -0.52 0.17 113.55 119.09 3g1f h SER 221 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3g1f h SER 221 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3g1f h SER 221 CO 0.05 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 3g1f n ILE 222 N -2.31 0.85 0.03 0.95 -5.35 -1.15 -4.74 119.36 107.63 3g1f n ILE 222 Ca -0.01 -0.92 0.19 0.00 -0.27 0.00 0.00 62.75 61.73 3g1f n ILE 222 Cb 0.14 0.58 0.42 0.00 -1.74 0.00 0.00 39.64 39.04 3g1f n ILE 222 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3g1f h LYS 223 N 0.15 0.00 -0.21 6.28 3.64 -0.12 0.53 116.57 126.84 3g1f h LYS 223 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3g1f h LYS 223 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3g1f h LYS 223 CO 0.00 0.00 0.19 -0.44 -2.27 0.00 0.00 179.45 176.93 3g1f h ASP 224 N 0.00 0.00 -0.01 4.20 3.45 -1.85 -3.51 116.42 118.70 3g1f h ASP 224 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3g1f h ASP 224 Cb 2.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.92 3g1f h ASP 224 CO -0.00 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.85