#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3f s ASN 3 N 0.00 5.88 0.27 4.04 0.01 -1.26 -4.94 114.94 118.94 3g3f s ASN 3 Ca 0.00 2.34 -0.30 0.00 -0.71 0.00 0.00 52.86 54.19 3g3f s ASN 3 Cb 0.00 -2.60 -0.12 0.00 0.41 0.00 0.00 41.25 38.94 3g3f s ASN 3 CO 0.00 -1.12 1.52 -1.14 -1.51 0.00 0.00 177.10 174.85 3g3f n ARG 4 N -0.82 2.45 -2.05 -0.60 0.63 -1.26 -4.91 116.66 110.10 3g3f n ARG 4 Ca 0.09 0.87 -0.41 0.00 -0.92 0.00 0.00 57.85 57.48 3g3f n ARG 4 Cb 0.48 -2.61 -0.02 0.00 0.45 0.00 0.00 32.46 30.77 3g3f n ARG 4 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3g3f s SER 5 N 0.42 6.68 0.22 6.15 0.01 -1.26 -4.78 113.70 121.13 3g3f s SER 5 Ca 0.66 2.77 -0.30 0.00 1.31 0.00 0.00 55.95 60.39 3g3f s SER 5 Cb -0.55 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 62.94 3g3f s SER 5 CO 0.49 -0.61 1.07 -0.76 0.41 0.00 0.00 173.24 173.84 3g3f s LEU 6 N -1.86 4.54 -0.20 2.44 1.43 0.21 -4.79 118.68 120.44 3g3f s LEU 6 Ca 0.50 2.12 -0.22 0.00 -1.03 0.00 0.00 54.13 55.50 3g3f s LEU 6 Cb -0.41 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 3g3f s LEU 6 CO 0.55 -0.13 0.69 -0.63 0.23 0.00 0.00 176.35 177.06 3g3f s ILE 7 N -0.70 4.97 -0.29 -0.59 -1.09 -1.26 -0.77 121.20 121.47 3g3f s ILE 7 Ca 0.46 1.30 -0.04 0.00 -2.23 0.00 0.00 60.65 60.15 3g3f s ILE 7 Cb -0.30 -4.00 0.03 0.00 -1.58 0.00 0.00 42.46 36.62 3g3f s ILE 7 CO 0.36 0.07 0.02 -0.69 -1.23 0.00 0.00 174.94 173.47 3g3f s VAL 8 N 2.09 3.29 0.25 2.92 1.01 -0.34 -0.13 120.40 129.49 3g3f s VAL 8 Ca 0.31 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 3g3f s VAL 8 Cb -0.16 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 3g3f s VAL 8 CO 0.10 0.01 0.74 0.28 0.00 0.00 0.00 175.10 176.23 3g3f s THR 9 N 1.35 4.57 0.26 3.92 -1.32 0.10 -0.70 115.64 123.83 3g3f s THR 9 Ca -0.01 1.25 -0.06 0.00 -1.21 0.00 0.00 61.69 61.66 3g3f s THR 9 Cb -0.18 -3.81 0.02 0.00 -1.51 0.00 0.00 72.50 67.02 3g3f s THR 9 CO -0.01 0.12 0.45 1.07 -2.21 0.00 0.00 174.62 174.04 3g3f n THR 10 N 0.48 0.00 -3.81 5.08 5.66 -0.92 -1.91 114.28 118.86 3g3f n THR 10 Ca -0.01 -0.98 -0.12 0.00 -3.05 0.00 0.00 64.05 59.89 3g3f n THR 10 Cb 0.51 0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 69.93 3g3f n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3g3f s ILE 11 N -2.54 0.05 0.03 1.09 2.07 -1.26 -0.52 121.20 120.12 3g3f s ILE 11 Ca 0.16 -0.41 -0.30 0.00 -1.41 0.00 0.00 60.65 58.68 3g3f s ILE 11 Cb -0.02 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 42.05 3g3f s ILE 11 CO 0.12 -0.23 1.30 -0.76 -1.91 0.00 0.00 174.94 173.46 3g3f s LEU 12 N -0.91 4.34 -0.30 8.50 1.43 -1.26 -4.60 118.68 125.88 3g3f s LEU 12 Ca -0.10 2.07 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 3g3f s LEU 12 Cb -0.05 -3.57 0.17 0.00 0.03 0.00 0.00 46.19 42.77 3g3f s LEU 12 CO 0.02 -0.60 0.87 -0.70 0.23 0.00 0.00 176.35 176.17 3g3f s GLU 13 N 1.67 0.35 0.29 1.70 2.56 -0.19 -4.98 118.70 120.11 3g3f s GLU 13 Ca 0.61 0.70 -0.29 0.00 0.00 0.00 0.00 54.97 55.99 3g3f s GLU 13 Cb -0.31 0.40 -0.10 0.00 2.00 0.00 0.00 34.13 36.13 3g3f s GLU 13 CO 0.27 -0.31 1.17 -2.00 -0.56 0.00 0.00 175.26 173.84 3g3f s GLU 14 N 2.81 4.55 -0.27 4.30 2.12 -1.25 -0.92 118.70 130.03 3g3f s GLU 14 Ca 0.05 1.94 0.13 0.00 0.36 0.00 0.00 54.97 57.44 3g3f s GLU 14 Cb -0.11 -3.15 0.77 0.00 0.26 0.00 0.00 34.13 31.90 3g3f s GLU 14 CO -0.16 0.08 1.75 -0.35 -0.54 0.00 0.00 175.26 176.04 3g3f n PRO 15 N 1.11 4.28 -0.02 4.30 -0.04 -1.26 -4.91 135.00 138.47 3g3f n PRO 15 Ca -0.01 -3.12 -0.16 0.00 -0.04 0.00 0.00 63.50 60.17 3g3f n PRO 15 Cb 0.44 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 3g3f n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3f h TYR 16 N 3.30 0.35 -2.84 0.54 0.05 -1.37 -1.14 116.97 115.85 3g3f h TYR 16 Ca 0.11 -0.19 -0.21 0.00 0.05 0.00 0.00 58.73 58.49 3g3f h TYR 16 Cb 2.09 -0.04 -0.32 0.00 1.01 0.00 0.00 36.73 39.47 3g3f h TYR 16 CO 1.13 0.99 -0.51 0.08 -1.05 0.00 0.00 178.16 178.80 3g3f s VAL 17 N -3.14 -0.41 0.08 -2.88 1.01 -0.34 -0.80 120.40 113.93 3g3f s VAL 17 Ca -0.15 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 3g3f s VAL 17 Cb 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3g3f s VAL 17 CO 0.76 0.11 -0.02 -0.76 0.00 0.00 0.00 175.10 175.19 3g3f s LEU 18 N 2.36 2.36 -0.03 3.92 1.02 0.34 -1.02 118.68 127.64 3g3f s LEU 18 Ca 0.00 -1.05 -0.27 0.00 0.02 0.00 0.00 54.13 52.84 3g3f s LEU 18 Cb -0.12 0.12 -0.03 0.00 0.02 0.00 0.00 46.19 46.18 3g3f s LEU 18 CO -0.09 -0.58 0.85 -0.36 0.02 0.00 0.00 176.35 176.19 3g3f s PHE 19 N -3.84 3.63 0.43 0.29 2.99 -1.26 -0.86 117.98 119.36 3g3f s PHE 19 Ca 0.12 1.49 -0.26 0.00 0.00 0.00 0.00 56.93 58.28 3g3f s PHE 19 Cb 0.07 -2.97 -0.09 0.00 0.00 0.00 0.00 43.02 40.03 3g3f s PHE 19 CO -0.06 0.05 1.46 1.63 -0.00 0.00 0.00 175.22 178.30 3g3f n LYS 20 N 3.79 2.40 -2.86 0.44 5.02 0.01 -4.88 118.16 122.07 3g3f n LYS 20 Ca 0.02 0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 56.76 3g3f n LYS 20 Cb 0.51 -2.66 -0.04 0.00 -0.02 0.00 0.00 35.03 32.83 3g3f n LYS 20 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3g3f s LYS 21 N -2.35 4.51 0.07 1.97 1.02 -1.26 -5.00 119.74 118.70 3g3f s LYS 21 Ca 0.59 1.18 -0.21 0.00 0.02 0.00 0.00 55.97 57.54 3g3f s LYS 21 Cb -0.45 -3.45 0.05 0.00 -0.52 0.00 0.00 37.83 33.46 3g3f s LYS 21 CO 0.59 0.02 0.50 0.45 -0.92 0.00 0.00 175.35 176.00 3g3f s SER 22 N 0.84 -0.41 -0.14 2.83 0.15 -1.26 -5.07 113.70 110.64 3g3f s SER 22 Ca 0.45 0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.99 3g3f s SER 22 Cb -0.20 0.50 -0.16 0.00 -1.71 0.00 0.00 66.02 64.45 3g3f s SER 22 CO 0.24 -0.76 0.39 0.44 1.20 0.00 0.00 173.24 174.74 3g3f h ASP 23 N 2.65 0.00 -3.99 5.45 3.32 -2.07 -3.46 116.42 118.33 3g3f h ASP 23 Ca -0.32 -0.57 -0.50 0.00 0.02 0.00 0.00 57.03 55.66 3g3f h ASP 23 Cb 1.23 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.83 3g3f h ASP 23 CO 0.42 0.94 0.47 -0.54 -1.72 0.00 0.00 179.24 178.81 3g3f s LYS 24 N -2.08 3.88 0.48 3.56 1.02 -1.26 -4.97 119.74 120.37 3g3f s LYS 24 Ca -0.16 1.72 -0.23 0.00 0.02 0.00 0.00 55.97 57.32 3g3f s LYS 24 Cb -0.00 -2.46 -0.07 0.00 -0.52 0.00 0.00 37.83 34.78 3g3f s LYS 24 CO 0.46 -0.44 1.31 -1.25 -0.92 0.00 0.00 175.35 174.51 3g3f s PRO 25 N -2.62 3.55 0.17 -1.68 0.04 -1.26 -5.03 135.00 128.18 3g3f s PRO 25 Ca 0.62 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.85 3g3f s PRO 25 Cb -0.27 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 3g3f s PRO 25 CO 0.33 -0.83 0.05 -0.51 0.04 0.00 0.00 177.00 176.09 3g3f s LEU 26 N -3.05 3.49 0.03 -3.56 1.43 -1.26 -5.13 118.68 110.62 3g3f s LEU 26 Ca 0.65 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 3g3f s LEU 26 Cb -0.37 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 3g3f s LEU 26 CO 0.46 0.08 -0.13 -0.31 0.23 0.00 0.00 176.35 176.67 3g3f s TYR 27 N -1.76 1.18 0.00 0.29 1.51 -1.26 -4.80 117.35 112.50 3g3f s TYR 27 Ca 0.29 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 3g3f s TYR 27 Cb -0.09 -0.71 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 3g3f s TYR 27 CO 0.20 0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.08 3g3f n GLY 28 N 2.03 3.01 0.26 0.71 0.00 -1.26 -2.07 105.19 107.87 3g3f n GLY 28 Ca -0.18 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.67 3g3f n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3f h ASN 29 N 7.32 0.00 0.37 1.61 2.35 -1.94 -2.29 115.58 123.01 3g3f h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g3f h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g3f h ASN 29 CO 0.00 0.13 0.00 -0.67 -1.65 0.00 0.00 177.43 175.24 3g3f n ASP 30 N -3.59 0.20 0.26 5.81 2.03 -0.88 -2.32 116.55 118.07 3g3f n ASP 30 Ca -0.02 0.56 0.16 0.00 0.52 0.00 0.00 54.79 56.02 3g3f n ASP 30 Cb 0.26 -0.60 0.59 0.00 -0.72 0.00 0.00 41.12 40.65 3g3f n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3g3f h ARG 31 N 0.00 0.00 -6.41 -0.67 3.08 -1.50 -3.45 114.38 105.43 3g3f h ARG 31 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3g3f h ARG 31 Cb 0.19 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.09 3g3f h ARG 31 CO 0.00 0.00 -0.70 -0.06 -1.07 0.00 0.00 179.97 178.14 3g3f s PHE 32 N -3.57 2.86 0.22 3.04 0.08 -0.98 -0.81 117.98 118.81 3g3f s PHE 32 Ca 0.02 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 3g3f s PHE 32 Cb 0.08 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.99 3g3f s PHE 32 CO 0.56 0.43 0.28 -1.83 -0.10 0.00 0.00 175.22 174.56 3g3f s GLU 33 N -2.02 1.33 0.00 0.44 -1.05 -0.04 -4.79 118.70 112.57 3g3f s GLU 33 Ca 0.22 -1.44 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 3g3f s GLU 33 Cb -0.11 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 3g3f s GLU 33 CO 0.13 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.26 3g3f n GLY 34 N -0.31 1.82 0.21 -3.83 0.00 -1.26 -0.50 105.19 101.32 3g3f n GLY 34 Ca -0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 3g3f n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g3f h TYR 35 N 0.00 0.29 0.00 1.61 3.20 -0.82 -0.76 116.97 120.48 3g3f h TYR 35 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3g3f h TYR 35 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3g3f h TYR 35 CO 0.00 0.07 -0.43 0.00 -1.64 0.00 0.00 178.16 176.16 3g3f h ILE 37 N 0.00 1.29 -0.86 0.00 1.08 -1.47 -0.28 117.51 117.27 3g3f h ILE 37 Ca -0.00 -1.50 -0.03 0.00 -0.39 0.00 0.00 64.86 62.94 3g3f h ILE 37 Cb 0.82 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 3g3f h ILE 37 CO 0.06 0.48 0.42 0.44 -0.69 0.00 0.00 178.15 178.86 3g3f h ASP 38 N 0.52 1.11 -0.24 1.72 3.32 -0.88 -1.11 116.42 120.85 3g3f h ASP 38 Ca 0.05 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3g3f h ASP 38 Cb 0.90 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3g3f h ASP 38 CO 0.08 0.93 0.16 0.25 -1.72 0.00 0.00 179.24 178.94 3g3f h LEU 39 N 1.21 0.28 -0.59 1.55 5.85 -0.86 -1.41 115.31 121.35 3g3f h LEU 39 Ca 0.30 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3g3f h LEU 39 Cb 0.10 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3g3f h LEU 39 CO -0.04 0.21 0.35 0.25 -0.34 0.00 0.00 178.44 178.87 3g3f h LEU 40 N 0.33 0.54 -0.57 2.25 5.85 -0.75 0.16 115.31 123.12 3g3f h LEU 40 Ca 0.09 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3g3f h LEU 40 Cb -0.03 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3g3f h LEU 40 CO -0.02 0.37 0.34 0.03 -0.34 0.00 0.00 178.44 178.82 3g3f h ARG 41 N 0.67 0.65 -0.50 1.25 3.08 -0.87 -0.21 114.38 118.45 3g3f h ARG 41 Ca 0.25 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3g3f h ARG 41 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3g3f h ARG 41 CO -0.13 0.43 0.09 0.93 -1.07 0.00 0.00 179.97 180.23 3g3f h GLU 42 N 0.67 0.82 -0.88 0.04 4.39 -0.61 -2.28 114.58 116.74 3g3f h GLU 42 Ca 0.23 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3g3f h GLU 42 Cb 0.04 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 3g3f h GLU 42 CO -0.11 0.81 0.49 -0.07 -1.16 0.00 0.00 179.01 178.97 3g3f h LEU 43 N 0.70 1.09 -1.16 1.33 3.38 -0.69 -1.59 115.31 118.37 3g3f h LEU 43 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3g3f h LEU 43 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3g3f h LEU 43 CO 0.01 0.87 0.05 0.77 0.09 0.00 0.00 178.44 180.22 3g3f h SER 44 N 1.22 0.59 -0.04 -0.43 4.64 -0.72 -0.37 113.55 118.45 3g3f h SER 44 Ca 0.31 -0.11 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 3g3f h SER 44 Cb 0.02 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3g3f h SER 44 CO -0.05 0.63 -0.81 0.74 -0.87 0.00 0.00 176.83 176.47 3g3f h THR 45 N 0.61 1.33 -0.24 2.95 2.02 -1.03 0.08 112.91 118.63 3g3f h THR 45 Ca 0.13 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 3g3f h THR 45 Cb 0.32 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 3g3f h THR 45 CO 0.01 0.64 0.10 0.40 0.37 0.00 0.00 175.52 177.03 3g3f h ILE 46 N 0.26 1.17 0.00 3.11 2.04 -1.10 -3.29 117.51 119.69 3g3f h ILE 46 Ca -0.09 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3g3f h ILE 46 Cb 1.48 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3g3f h ILE 46 CO 0.16 0.17 -1.01 0.18 0.00 0.00 0.00 178.15 177.65 3g3f n LEU 47 N -4.79 0.62 -2.29 1.44 4.77 -0.16 -5.00 117.00 111.58 3g3f n LEU 47 Ca -0.03 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 3g3f n LEU 47 Cb 0.13 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3g3f n LEU 47 CO 0.35 0.06 0.02 0.61 -1.33 0.00 0.00 177.39 177.10 3g3f n GLY 48 N 1.38 -0.03 3.26 -0.72 0.00 -0.02 -5.06 105.19 103.99 3g3f n GLY 48 Ca 0.02 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3g3f n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g3f s PHE 49 N -3.18 1.36 0.35 1.61 -0.12 -0.95 -5.06 117.98 112.00 3g3f s PHE 49 Ca 0.18 -0.67 0.07 0.00 -0.05 0.00 0.00 56.93 56.47 3g3f s PHE 49 Cb -0.02 -0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 3g3f s PHE 49 CO 0.34 0.14 0.40 0.95 -0.05 0.00 0.00 175.22 177.01 3g3f s THR 50 N -2.89 3.66 0.15 -4.49 -4.23 -1.26 -4.71 115.64 101.86 3g3f s THR 50 Ca 0.15 -1.17 -0.20 0.00 -1.18 0.00 0.00 61.69 59.29 3g3f s THR 50 Cb -0.00 -3.25 0.05 0.00 1.34 0.00 0.00 72.50 70.64 3g3f s THR 50 CO 0.02 -0.14 0.51 -0.72 -0.54 0.00 0.00 174.62 173.76 3g3f s TYR 51 N -2.26 -0.38 -0.12 3.99 -0.85 -1.26 -0.62 117.35 115.84 3g3f s TYR 51 Ca 0.45 0.11 -0.00 0.00 -0.52 0.00 0.00 57.07 57.10 3g3f s TYR 51 Cb -0.08 0.43 0.03 0.00 0.38 0.00 0.00 41.96 42.72 3g3f s TYR 51 CO 0.29 -0.79 -0.07 -2.00 -1.52 0.00 0.00 175.55 171.46 3g3f s GLU 52 N -3.78 1.52 -0.04 -3.49 2.12 0.05 -4.86 118.70 110.22 3g3f s GLU 52 Ca 0.02 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 3g3f s GLU 52 Cb 0.00 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.69 3g3f s GLU 52 CO -0.12 -0.30 1.03 0.42 -0.54 0.00 0.00 175.26 175.75 3g3f s ILE 53 N 1.69 4.70 -0.08 -3.70 1.01 -1.26 -1.20 121.20 122.36 3g3f s ILE 53 Ca 0.04 1.96 0.01 0.00 0.00 0.00 0.00 60.65 62.65 3g3f s ILE 53 Cb -0.13 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.11 3g3f s ILE 53 CO -0.08 0.08 -0.08 -0.13 0.00 0.00 0.00 174.94 174.73 3g3f s ARG 54 N 1.49 1.43 0.21 2.79 0.52 0.13 -4.88 118.95 120.64 3g3f s ARG 54 Ca 0.52 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 55.16 3g3f s ARG 54 Cb -0.21 -1.38 -0.09 0.00 0.52 0.00 0.00 34.95 33.78 3g3f s ARG 54 CO 0.24 -0.14 1.36 -0.51 0.02 0.00 0.00 175.30 176.27 3g3f s LEU 55 N 1.26 4.40 0.19 2.53 1.43 -1.26 -2.16 118.68 125.08 3g3f s LEU 55 Ca -0.04 2.49 -0.33 0.00 -1.03 0.00 0.00 54.13 55.22 3g3f s LEU 55 Cb -0.14 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.33 3g3f s LEU 55 CO -0.03 -0.60 1.54 0.55 0.23 0.00 0.00 176.35 178.04 3g3f n VAL 56 N 2.61 0.32 -0.21 -1.59 3.14 0.32 -4.85 118.33 118.06 3g3f n VAL 56 Ca 0.07 -0.08 -0.05 0.00 -2.96 0.00 0.00 64.34 61.32 3g3f n VAL 56 Cb 0.42 -1.56 0.12 0.00 -1.06 0.00 0.00 33.84 31.75 3g3f n VAL 56 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3g3f h GLU 57 N 5.42 1.02 -0.12 1.45 4.81 -1.91 -2.40 114.58 122.86 3g3f h GLU 57 Ca -0.45 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 3g3f h GLU 57 Cb 1.26 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3g3f h GLU 57 CO 0.85 0.88 0.00 -0.40 -0.73 0.00 0.00 179.01 179.61 3g3f n ASP 58 N -4.26 1.65 -1.00 1.04 5.68 -1.26 -4.95 116.55 113.45 3g3f n ASP 58 Ca 0.05 -1.64 -0.13 0.00 -0.50 0.00 0.00 54.79 52.57 3g3f n ASP 58 Cb 0.23 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.08 3g3f n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g3f n GLY 59 N 1.16 1.36 3.42 6.12 0.00 -0.91 -4.97 105.19 111.36 3g3f n GLY 59 Ca 0.17 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 3g3f n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3f s LYS 60 N -3.13 1.52 -0.09 1.61 1.02 -1.26 -4.99 119.74 114.42 3g3f s LYS 60 Ca 0.00 -1.59 -0.07 0.00 0.02 0.00 0.00 55.97 54.33 3g3f s LYS 60 Cb 0.00 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 3g3f s LYS 60 CO 0.00 0.34 0.25 1.88 -0.92 0.00 0.00 175.35 176.90 3g3f h TYR 61 N 2.85 -0.12 0.00 3.18 0.05 -1.88 -2.16 116.97 118.89 3g3f h TYR 61 Ca -0.43 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3g3f h TYR 61 Cb 1.23 0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.00 3g3f h TYR 61 CO 0.73 0.03 0.00 0.41 -1.05 0.00 0.00 178.16 178.28 3g3f n GLY 62 N 1.41 3.59 3.18 3.88 0.00 -0.47 -1.29 105.19 115.49 3g3f n GLY 62 Ca -0.03 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3g3f n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3f s ALA 63 N 0.00 0.07 -0.08 4.61 0.00 -1.23 -4.59 121.76 120.54 3g3f s ALA 63 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 3g3f s ALA 63 Cb 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 3g3f s ALA 63 CO 0.00 -0.48 0.35 -1.14 0.00 0.00 0.00 175.76 174.49 3g3f s GLN 64 N -3.90 4.01 -0.09 0.00 0.74 -1.26 -2.04 119.66 117.12 3g3f s GLN 64 Ca 0.07 0.25 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 3g3f s GLN 64 Cb 0.06 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 3g3f s GLN 64 CO -0.09 0.50 1.10 0.34 -0.55 0.00 0.00 175.29 176.59 3g3f s ASP 65 N -0.40 7.15 0.42 6.67 3.68 0.40 -4.94 116.67 129.65 3g3f s ASP 65 Ca 0.21 1.66 0.26 0.00 2.13 0.00 0.00 52.55 56.81 3g3f s ASP 65 Cb -0.15 -2.56 0.74 0.00 -1.45 0.00 0.00 42.92 39.51 3g3f s ASP 65 CO 0.09 -0.52 1.75 -2.24 0.13 0.00 0.00 175.17 174.37 3g3f h ASP 66 N 7.29 0.00 0.04 -0.34 3.04 -1.95 0.36 116.42 124.86 3g3f h ASP 66 Ca -0.32 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.41 3g3f h ASP 66 Cb 1.15 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.45 3g3f h ASP 66 CO 0.87 0.00 -0.30 1.62 -2.04 0.00 0.00 179.24 179.39 3g3f h VAL 67 N 0.00 1.68 -0.01 4.15 3.04 -1.98 -3.39 116.25 119.74 3g3f h VAL 67 Ca 0.00 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 63.29 3g3f h VAL 67 Cb 0.78 3.30 0.00 0.00 -2.01 0.00 0.00 31.29 33.36 3g3f h VAL 67 CO 0.00 0.64 -0.32 -0.46 -1.01 0.00 0.00 177.57 176.42 3g3f n ASN 68 N -4.45 1.62 0.00 3.17 0.23 -1.24 -4.99 115.26 109.60 3g3f n ASN 68 Ca -0.12 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.62 3g3f n ASN 68 Cb 0.59 0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.75 3g3f n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3f n GLY 69 N 1.13 0.74 3.82 4.83 0.00 0.11 -5.01 105.19 110.81 3g3f n GLY 69 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3g3f n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3f s GLN 70 N -0.21 4.23 0.45 1.61 -1.52 -1.25 -4.65 119.66 118.31 3g3f s GLN 70 Ca 0.00 0.83 -0.03 0.00 -1.95 0.00 0.00 55.36 54.21 3g3f s GLN 70 Cb 0.00 -2.94 -0.03 0.00 -0.22 0.00 0.00 33.01 29.82 3g3f s GLN 70 CO 0.00 0.44 0.71 -1.58 -0.25 0.00 0.00 175.29 174.61 3g3f s TRP 71 N -1.46 3.48 0.16 0.91 0.52 -1.26 -0.46 118.94 120.84 3g3f s TRP 71 Ca 0.41 0.60 0.01 0.00 0.02 0.00 0.00 56.10 57.14 3g3f s TRP 71 Cb -0.17 -2.22 -0.00 0.00 -1.15 0.00 0.00 33.47 29.92 3g3f s TRP 71 CO 0.21 -0.22 0.05 0.27 0.02 0.00 0.00 176.95 177.28 3g3f n ASN 72 N -2.13 1.30 0.00 2.95 0.23 -0.86 -4.71 115.26 112.04 3g3f n ASN 72 Ca -0.01 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 3g3f n ASN 72 Cb 0.56 0.35 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 3g3f n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3f n GLY 73 N 1.43 0.08 0.28 4.83 0.00 -1.26 -1.91 105.19 108.63 3g3f n GLY 73 Ca -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 3g3f n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g3f h MET 74 N 0.00 0.60 -0.28 1.61 2.86 -0.50 -1.97 114.93 117.25 3g3f h MET 74 Ca 0.00 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3g3f h MET 74 Cb 0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3g3f h MET 74 CO 0.00 0.63 0.16 0.28 1.06 0.00 0.00 176.91 179.04 3g3f h VAL 75 N 0.57 1.03 -0.36 -2.22 2.07 -1.54 -1.66 116.25 114.14 3g3f h VAL 75 Ca 0.12 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 3g3f h VAL 75 Cb 0.36 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3g3f h VAL 75 CO 0.01 0.06 -0.06 -0.09 0.02 0.00 0.00 177.57 177.52 3g3f h ARG 76 N 0.34 0.60 -0.68 1.57 9.65 -0.86 -0.75 114.38 124.25 3g3f h ARG 76 Ca 0.11 -0.16 0.06 0.00 -1.10 0.00 0.00 59.98 58.89 3g3f h ARG 76 Cb -0.00 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 3g3f h ARG 76 CO -0.05 0.66 0.38 0.93 2.80 0.00 0.00 179.97 184.70 3g3f h GLU 77 N 0.56 0.69 -0.25 0.20 4.39 -0.92 -1.33 114.58 117.92 3g3f h GLU 77 Ca 0.11 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 3g3f h GLU 77 Cb 0.44 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3g3f h GLU 77 CO 0.02 0.46 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.09 3g3f h LEU 78 N 0.71 0.59 -0.89 1.33 3.38 -0.86 0.11 115.31 119.68 3g3f h LEU 78 Ca 0.30 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3g3f h LEU 78 Cb 0.18 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3g3f h LEU 78 CO -0.18 0.90 0.55 0.40 0.09 0.00 0.00 178.44 180.20 3g3f h ILE 79 N 0.28 1.01 -0.06 1.22 2.04 -0.75 -1.32 117.51 119.93 3g3f h ILE 79 Ca 0.05 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3g3f h ILE 79 Cb 0.70 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3g3f h ILE 79 CO 0.05 0.18 0.00 0.47 0.00 0.00 0.00 178.15 178.84 3g3f n ASP 80 N -4.63 0.85 -3.36 1.72 8.00 -0.54 -4.91 116.55 113.69 3g3f n ASP 80 Ca 0.14 -1.45 -0.24 0.00 0.71 0.00 0.00 54.79 53.94 3g3f n ASP 80 Cb 0.22 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.33 3g3f n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g3f n HIS 81 N -0.27 -2.25 0.81 1.24 8.25 -0.50 -4.86 115.22 117.65 3g3f n HIS 81 Ca 0.18 0.71 0.12 0.00 -0.26 0.00 0.00 57.72 58.47 3g3f n HIS 81 Cb 0.22 -4.36 0.31 0.00 1.12 0.00 0.00 29.99 27.28 3g3f n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3f n LYS 82 N -4.36 0.13 -3.93 -0.41 5.02 0.34 -4.83 118.16 110.11 3g3f n LYS 82 Ca -0.04 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 3g3f n LYS 82 Cb 0.58 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 3g3f n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g3f s ALA 83 N -3.07 -0.07 -0.02 7.82 0.00 -1.16 -4.95 121.76 120.31 3g3f s ALA 83 Ca 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3g3f s ALA 83 Cb 0.16 0.18 -0.26 0.00 0.00 0.00 0.00 23.12 23.20 3g3f s ALA 83 CO 0.66 -0.24 0.77 -0.44 0.00 0.00 0.00 175.76 176.51 3g3f h ASP 84 N 4.12 0.26 -4.98 0.00 3.32 -0.86 -3.42 116.42 114.86 3g3f h ASP 84 Ca -0.32 -0.42 -0.15 0.00 0.02 0.00 0.00 57.03 56.16 3g3f h ASP 84 Cb 1.19 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 3g3f h ASP 84 CO 0.45 1.36 -0.54 -0.76 -1.72 0.00 0.00 179.24 178.03 3g3f s LEU 85 N -6.73 1.73 -0.27 1.55 1.43 -1.03 -4.27 118.68 111.08 3g3f s LEU 85 Ca -0.09 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3g3f s LEU 85 Cb 0.07 0.53 0.02 0.00 0.03 0.00 0.00 46.19 46.85 3g3f s LEU 85 CO 0.83 -0.35 0.01 0.00 0.23 0.00 0.00 176.35 177.06 3g3f s ALA 86 N -1.41 2.87 -0.34 4.21 0.00 0.41 -0.72 121.76 126.78 3g3f s ALA 86 Ca -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.32 3g3f s ALA 86 Cb -0.08 -1.92 0.09 0.00 0.00 0.00 0.00 23.12 21.21 3g3f s ALA 86 CO 0.01 -0.91 0.07 0.08 0.00 0.00 0.00 175.76 175.01 3g3f s VAL 87 N 1.39 2.77 0.09 0.00 1.01 -0.80 -1.41 120.40 123.45 3g3f s VAL 87 Ca 0.01 -1.94 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 3g3f s VAL 87 Cb -0.17 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3g3f s VAL 87 CO -0.01 -0.45 1.09 0.00 0.00 0.00 0.00 175.10 175.73 3g3f s ALA 88 N 1.09 -1.87 -1.25 5.51 0.00 -1.26 -4.58 121.76 119.39 3g3f s ALA 88 Ca 0.04 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 3g3f s ALA 88 Cb -0.21 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 3g3f s ALA 88 CO -0.05 -1.05 2.09 -0.35 0.00 0.00 0.00 175.76 176.40 3g3f n PRO 89 N -0.51 2.48 -3.53 0.00 -0.04 -1.26 -4.73 135.00 127.41 3g3f n PRO 89 Ca -0.06 -2.46 -0.41 0.00 -0.04 0.00 0.00 63.50 60.52 3g3f n PRO 89 Cb 0.61 -3.23 -0.11 0.00 -0.04 0.00 0.00 33.50 30.74 3g3f n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g3f s LEU 90 N 2.46 4.69 0.20 1.53 2.96 -1.26 -5.03 118.68 124.22 3g3f s LEU 90 Ca 0.51 -0.66 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 3g3f s LEU 90 Cb 0.13 -2.11 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 3g3f s LEU 90 CO -0.01 -0.32 1.14 0.00 -1.32 0.00 0.00 176.35 175.84 3g3f s ALA 91 N 1.67 3.40 -0.36 5.97 0.00 -1.26 -1.97 121.76 129.22 3g3f s ALA 91 Ca 0.05 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 3g3f s ALA 91 Cb -0.18 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3g3f s ALA 91 CO 0.09 -0.27 1.09 0.42 0.00 0.00 0.00 175.76 177.10 3g3f s ILE 92 N -0.31 4.43 0.11 0.00 1.01 0.06 -4.90 121.20 121.60 3g3f s ILE 92 Ca 0.50 1.60 0.04 0.00 0.00 0.00 0.00 60.65 62.79 3g3f s ILE 92 Cb -0.31 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 3g3f s ILE 92 CO 0.37 -0.62 -0.10 0.42 0.00 0.00 0.00 174.94 175.00 3g3f s THR 93 N 3.87 1.01 0.16 2.92 -4.23 -1.26 -4.52 115.64 113.58 3g3f s THR 93 Ca 0.46 -1.77 -0.20 0.00 -1.18 0.00 0.00 61.69 59.00 3g3f s THR 93 Cb -0.11 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 72.27 3g3f s THR 93 CO 0.20 -0.62 1.65 0.22 -0.54 0.00 0.00 174.62 175.53 3g3f h TYR 94 N 3.33 -0.45 -0.21 3.99 3.20 -1.99 0.36 116.97 125.20 3g3f h TYR 94 Ca -0.37 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.44 3g3f h TYR 94 Cb 1.19 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 3g3f h TYR 94 CO 0.63 -0.25 -0.28 -0.39 -1.64 0.00 0.00 178.16 176.23 3g3f h VAL 95 N -0.14 1.27 -0.01 1.81 -1.51 -2.00 -2.97 116.25 112.69 3g3f h VAL 95 Ca 0.16 -1.28 -0.22 0.00 -1.23 0.00 0.00 66.70 64.13 3g3f h VAL 95 Cb 0.39 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3g3f h VAL 95 CO -0.39 0.40 -0.91 0.03 -1.23 0.00 0.00 177.57 175.47 3g3f h ARG 96 N 0.36 0.42 0.00 5.19 3.08 -1.84 -3.16 114.38 118.43 3g3f h ARG 96 Ca 0.05 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3g3f h ARG 96 Cb 0.68 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3g3f h ARG 96 CO 0.05 1.09 0.00 1.49 -1.07 0.00 0.00 179.97 181.53 3g3f h GLU 97 N 0.25 0.00 0.00 0.04 4.57 -0.77 0.07 114.58 118.73 3g3f h GLU 97 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3g3f h GLU 97 Cb 1.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 3g3f h GLU 97 CO 0.16 0.00 0.00 0.87 -1.18 0.00 0.00 179.01 178.86 3g3f h LYS 98 N 0.00 0.00 0.00 1.92 1.57 -1.50 -3.37 116.57 115.18 3g3f h LYS 98 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3g3f h LYS 98 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3g3f h LYS 98 CO 0.00 0.00 -1.15 1.33 -0.57 0.00 0.00 179.45 179.06 3g3f n VAL 99 N -3.00 0.07 -4.41 0.50 0.24 -0.15 -5.07 118.33 106.51 3g3f n VAL 99 Ca 0.03 -0.08 -0.20 0.00 -2.04 0.00 0.00 64.34 62.05 3g3f n VAL 99 Cb 0.43 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.60 3g3f n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3g3f s ILE 100 N -2.15 1.01 0.17 1.34 -4.36 -0.25 -4.34 121.20 112.62 3g3f s ILE 100 Ca -0.01 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.43 3g3f s ILE 100 Cb 0.01 -2.72 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 3g3f s ILE 100 CO 0.11 -0.02 0.08 -1.81 0.24 0.00 0.00 174.94 173.55 3g3f s ASP 101 N -3.43 5.24 0.03 4.36 1.01 -0.24 -4.30 116.67 119.34 3g3f s ASP 101 Ca 0.36 -0.23 0.04 0.00 0.71 0.00 0.00 52.55 53.44 3g3f s ASP 101 Cb 0.08 -1.28 -0.02 0.00 1.01 0.00 0.00 42.92 42.71 3g3f s ASP 101 CO 0.15 0.08 -0.13 -0.36 0.21 0.00 0.00 175.17 175.12 3g3f s PHE 102 N -1.74 1.11 0.99 4.23 0.08 -1.26 -1.13 117.98 120.26 3g3f s PHE 102 Ca 0.30 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.90 3g3f s PHE 102 Cb -0.10 -0.67 0.18 0.00 -0.57 0.00 0.00 43.02 41.87 3g3f s PHE 102 CO 0.22 0.02 1.09 -1.54 -0.10 0.00 0.00 175.22 174.90 3g3f s SER 103 N -1.02 2.51 0.83 1.36 1.04 -0.06 -4.95 113.70 113.41 3g3f s SER 103 Ca 0.01 1.73 -0.12 0.00 0.48 0.00 0.00 55.95 58.05 3g3f s SER 103 Cb -0.07 -2.35 0.10 0.00 0.10 0.00 0.00 66.02 63.79 3g3f s SER 103 CO 0.01 -3.28 1.17 -0.54 0.98 0.00 0.00 173.24 171.58 3g3f s LYS 104 N -4.69 1.55 0.40 4.02 1.02 -1.26 -4.48 119.74 116.30 3g3f s LYS 104 Ca 0.66 1.61 -0.26 0.00 0.02 0.00 0.00 55.97 58.00 3g3f s LYS 104 Cb -0.22 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.23 3g3f s LYS 104 CO 0.60 -2.25 1.23 -1.25 -0.92 0.00 0.00 175.35 172.76 3g3f s PRO 105 N -4.38 4.03 0.01 -1.68 0.04 -1.26 -4.63 135.00 127.14 3g3f s PRO 105 Ca 0.69 1.99 0.23 0.00 0.04 0.00 0.00 61.00 63.96 3g3f s PRO 105 Cb -0.25 -2.73 0.07 0.00 0.04 0.00 0.00 34.50 31.63 3g3f s PRO 105 CO 0.53 -0.39 1.08 1.97 0.04 0.00 0.00 177.00 180.23 3g3f n PHE 106 N 0.14 0.09 -3.63 0.56 1.16 -0.14 -4.96 117.46 110.68 3g3f n PHE 106 Ca 0.04 0.02 -0.16 0.00 -1.87 0.00 0.00 57.45 55.49 3g3f n PHE 106 Cb 0.45 -0.23 -0.07 0.00 -1.61 0.00 0.00 39.48 38.02 3g3f n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3g3f s MET 107 N -3.08 0.85 0.10 3.97 0.00 -1.25 -5.02 119.30 114.87 3g3f s MET 107 Ca 0.07 0.28 0.09 0.00 0.00 0.00 0.00 55.69 56.13 3g3f s MET 107 Cb 0.16 0.40 -0.04 0.00 0.00 0.00 0.00 34.83 35.35 3g3f s MET 107 CO 0.80 -0.22 -0.20 0.99 0.00 0.00 0.00 175.02 176.39 3g3f s THR 108 N -0.83 2.69 0.26 10.11 2.01 -1.26 -1.23 115.64 127.39 3g3f s THR 108 Ca -0.09 -1.48 -0.15 0.00 0.31 0.00 0.00 61.69 60.29 3g3f s THR 108 Cb -0.03 -2.20 0.06 0.00 0.01 0.00 0.00 72.50 70.34 3g3f s THR 108 CO 0.06 0.16 0.76 0.00 -0.69 0.00 0.00 174.62 174.92 3g3f n LEU 109 N 1.03 0.00 -3.80 4.42 -0.00 -0.07 -4.89 117.00 113.69 3g3f n LEU 109 Ca -0.16 -1.78 -0.09 0.00 -0.00 0.00 0.00 56.01 53.98 3g3f n LEU 109 Cb 0.53 2.88 -0.04 0.00 -0.00 0.00 0.00 43.42 46.79 3g3f n LEU 109 CO 0.27 -0.59 0.28 -0.83 -0.00 0.00 0.00 177.39 176.51 3g3f s GLY 110 N -2.96 0.03 0.29 1.47 0.00 -1.26 -0.95 107.32 103.92 3g3f s GLY 110 Ca 0.16 -0.36 -0.29 0.00 0.00 0.00 0.00 44.72 44.23 3g3f s GLY 110 CO 0.08 -0.31 1.21 -0.42 0.00 0.00 0.00 173.10 173.66 3g3f s ILE 111 N -3.91 3.14 0.00 0.90 1.01 -1.26 -0.43 121.20 120.66 3g3f s ILE 111 Ca 0.12 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.88 3g3f s ILE 111 Cb -0.01 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3g3f s ILE 111 CO 0.00 0.25 0.00 -0.24 0.00 0.00 0.00 174.94 174.95 3g3f n SER 112 N 1.28 0.00 -4.19 3.58 2.88 -0.09 -0.34 113.62 116.74 3g3f n SER 112 Ca 0.01 -0.63 -0.31 0.00 -1.33 0.00 0.00 58.87 56.61 3g3f n SER 112 Cb 0.43 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.72 3g3f n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3g3f s ILE 113 N -2.08 1.89 -0.20 2.46 1.01 -1.24 -1.23 121.20 121.82 3g3f s ILE 113 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 3g3f s ILE 113 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3g3f s ILE 113 CO 0.00 0.52 0.08 -0.22 0.00 0.00 0.00 174.94 175.32 3g3f s LEU 114 N 0.33 3.83 0.27 2.97 2.96 0.31 -0.60 118.68 128.75 3g3f s LEU 114 Ca -0.16 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 3g3f s LEU 114 Cb -0.17 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.54 3g3f s LEU 114 CO 0.07 0.14 0.50 -0.47 -1.32 0.00 0.00 176.35 175.27 3g3f s TYR 115 N 0.57 0.47 0.52 5.38 5.04 -0.66 -1.12 117.35 127.56 3g3f s TYR 115 Ca 0.04 -0.83 -0.20 0.00 -2.44 0.00 0.00 57.07 53.64 3g3f s TYR 115 Cb -0.13 0.19 -0.07 0.00 0.35 0.00 0.00 41.96 42.30 3g3f s TYR 115 CO 0.01 -1.06 1.10 1.03 -1.34 0.00 0.00 175.55 175.29 3g3f s ARG 116 N -3.73 3.51 0.76 4.97 0.52 -1.26 -1.02 118.95 122.70 3g3f s ARG 116 Ca 0.23 1.53 -0.13 0.00 -0.52 0.00 0.00 55.73 56.84 3g3f s ARG 116 Cb -0.01 -2.04 0.06 0.00 0.52 0.00 0.00 34.95 33.48 3g3f s ARG 116 CO 0.11 -0.70 1.15 0.15 0.02 0.00 0.00 175.30 176.03 3g3f s LYS 117 N -3.26 2.08 0.00 3.54 1.02 -0.62 -4.58 119.74 117.92 3g3f s LYS 117 Ca 0.71 1.51 0.00 0.00 0.02 0.00 0.00 55.97 58.21 3g3f s LYS 117 Cb -0.21 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3g3f s LYS 117 CO 0.25 -1.83 0.00 0.41 -0.92 0.00 0.00 175.35 173.26 3g3f n GLY 118 N -0.19 0.03 3.33 -3.33 0.00 -1.26 -5.05 105.19 98.72 3g3f n GLY 118 Ca 0.11 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 3g3f n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g3f s THR 119 N -2.91 0.04 -1.41 2.61 -1.32 -1.26 -5.03 115.64 106.36 3g3f s THR 119 Ca 0.00 -0.34 0.28 0.00 -1.21 0.00 0.00 61.69 60.42 3g3f s THR 119 Cb 0.00 -0.79 0.31 0.00 -1.51 0.00 0.00 72.50 70.51 3g3f s THR 119 CO 0.00 -0.19 1.76 -0.81 -2.21 0.00 0.00 174.62 173.17 3g3f n PRO 120 N 1.00 0.44 -1.89 7.08 -0.04 -1.26 -4.86 135.00 135.47 3g3f n PRO 120 Ca -0.20 -0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 62.67 3g3f n PRO 120 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3g3f n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3g3f s ILE 121 N -2.67 3.31 -0.04 0.52 -1.09 -1.26 -4.88 121.20 115.08 3g3f s ILE 121 Ca 0.22 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 3g3f s ILE 121 Cb 0.19 -3.30 -0.00 0.00 -1.58 0.00 0.00 42.46 37.77 3g3f s ILE 121 CO 0.53 -0.03 0.28 -0.67 -1.23 0.00 0.00 174.94 173.82 3g3f n ASP 122 N 6.92 0.56 -3.67 3.58 2.03 -1.26 -4.85 116.55 119.87 3g3f n ASP 122 Ca 0.18 -0.78 -0.04 0.00 0.52 0.00 0.00 54.79 54.66 3g3f n ASP 122 Cb 0.42 0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 41.27 3g3f n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3g3f s SER 123 N -0.51 -0.21 0.30 1.67 1.04 -1.26 -3.22 113.70 111.51 3g3f s SER 123 Ca 0.00 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 3g3f s SER 123 Cb 0.00 0.41 0.48 0.00 0.10 0.00 0.00 66.02 67.01 3g3f s SER 123 CO 0.01 -0.74 1.95 0.00 0.98 0.00 0.00 173.24 175.44 3g3f h ALA 124 N 2.00 1.45 -0.78 5.32 0.00 -1.97 -2.35 119.26 122.94 3g3f h ALA 124 Ca -0.24 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3g3f h ALA 124 Cb 1.23 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3g3f h ALA 124 CO 0.27 0.47 0.48 0.22 0.00 0.00 0.00 179.25 180.68 3g3f h ASP 125 N 1.09 0.75 -0.71 0.00 3.58 -1.95 0.54 116.42 119.72 3g3f h ASP 125 Ca 0.34 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.74 3g3f h ASP 125 Cb 0.00 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 3g3f h ASP 125 CO -0.10 0.49 0.21 0.44 -2.88 0.00 0.00 179.24 177.41 3g3f h ASP 126 N 0.89 1.04 -0.54 2.28 3.32 -1.82 -2.53 116.42 119.05 3g3f h ASP 126 Ca 0.33 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3g3f h ASP 126 Cb 0.13 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3g3f h ASP 126 CO -0.16 0.98 0.04 -0.07 -1.72 0.00 0.00 179.24 178.31 3g3f h LEU 127 N 1.05 0.94 -1.30 1.55 3.38 -1.04 -3.23 115.31 116.66 3g3f h LEU 127 Ca 0.23 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3g3f h LEU 127 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3g3f h LEU 127 CO -0.01 0.97 -0.27 0.00 0.09 0.00 0.00 178.44 179.23 3g3f h ALA 128 N 1.13 1.42 0.00 1.53 0.00 -0.62 -2.46 119.26 120.26 3g3f h ALA 128 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3g3f h ALA 128 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3g3f h ALA 128 CO 0.02 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.31 3g3f n LYS 129 N -4.18 0.95 -4.20 0.00 5.02 -0.98 -4.86 118.16 109.92 3g3f n LYS 129 Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 3g3f n LYS 129 Cb 0.35 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 3g3f n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3g3f s GLN 130 N -2.00 1.12 0.00 1.97 1.03 -0.93 -5.07 119.66 115.79 3g3f s GLN 130 Ca 0.41 -1.57 0.00 0.00 0.04 0.00 0.00 55.36 54.24 3g3f s GLN 130 Cb 0.19 0.19 0.00 0.00 0.03 0.00 0.00 33.01 33.41 3g3f s GLN 130 CO 0.32 -0.32 0.15 0.25 -2.54 0.00 0.00 175.29 173.14 3g3f n THR 131 N -0.23 0.00 -0.19 3.63 -2.24 -1.26 -4.83 114.28 109.16 3g3f n THR 131 Ca -0.01 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3g3f n THR 131 Cb 0.65 1.60 0.01 0.00 -2.10 0.00 0.00 70.33 70.49 3g3f n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3g3f h LYS 132 N 0.00 0.91 -5.34 -0.78 3.64 -1.97 -3.38 116.57 109.65 3g3f h LYS 132 Ca 0.00 -0.26 -0.63 0.00 -1.27 0.00 0.00 60.65 58.49 3g3f h LYS 132 Cb 0.30 -0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 31.88 3g3f h LYS 132 CO 0.00 0.90 0.00 0.42 -2.27 0.00 0.00 179.45 178.50 3g3f s ILE 133 N -5.15 5.02 0.66 2.00 1.01 -1.26 -4.95 121.20 118.52 3g3f s ILE 133 Ca -0.12 0.65 -0.10 0.00 0.00 0.00 0.00 60.65 61.08 3g3f s ILE 133 Cb 0.12 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3g3f s ILE 133 CO 0.82 -0.09 1.04 -1.61 0.00 0.00 0.00 174.94 175.11 3g3f s GLU 134 N 2.41 3.05 0.08 2.79 2.02 -0.79 -4.89 118.70 123.38 3g3f s GLU 134 Ca 0.21 0.44 -0.17 0.00 0.02 0.00 0.00 54.97 55.47 3g3f s GLU 134 Cb -0.15 -2.09 0.03 0.00 0.10 0.00 0.00 34.13 32.03 3g3f s GLU 134 CO 0.12 -0.85 0.40 1.52 0.02 0.00 0.00 175.26 176.46 3g3f s TYR 135 N -3.24 -0.22 0.00 1.61 1.13 -1.26 -0.60 117.35 114.77 3g3f s TYR 135 Ca 0.56 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 56.26 3g3f s TYR 135 Cb -0.11 0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.98 3g3f s TYR 135 CO 0.51 -0.63 0.00 0.41 -2.51 0.00 0.00 175.55 173.33 3g3f n GLY 136 N 0.15 1.57 3.84 5.49 0.00 -1.07 -4.74 105.19 110.43 3g3f n GLY 136 Ca -0.17 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 3g3f n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3f s ALA 137 N -1.00 -1.17 0.05 4.61 0.00 -1.18 -0.73 121.76 122.34 3g3f s ALA 137 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 3g3f s ALA 137 Cb 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 3g3f s ALA 137 CO 0.00 -1.03 1.41 0.08 0.00 0.00 0.00 175.76 176.22 3g3f s VAL 138 N -3.56 3.51 0.28 0.00 1.01 -1.26 -1.55 120.40 118.83 3g3f s VAL 138 Ca 0.12 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3g3f s VAL 138 Cb -0.05 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 3g3f s VAL 138 CO 0.07 0.03 1.48 -0.70 0.00 0.00 0.00 175.10 175.99 3g3f s GLU 139 N 1.83 4.22 -1.17 2.72 2.12 0.58 -3.18 118.70 125.81 3g3f s GLU 139 Ca 0.65 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.38 3g3f s GLU 139 Cb -0.34 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3g3f s GLU 139 CO 0.29 -0.48 0.00 -0.25 -0.54 0.00 0.00 175.26 174.28 3g3f n ASP 140 N 2.06 -4.17 -4.20 -1.70 8.00 -1.26 -4.82 116.55 110.46 3g3f n ASP 140 Ca 0.06 0.10 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 3g3f n ASP 140 Cb 0.39 -3.16 -0.02 0.00 -0.02 0.00 0.00 41.12 38.31 3g3f n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3f n GLY 141 N -1.16 3.21 0.26 0.44 0.00 -1.19 -1.36 105.19 105.38 3g3f n GLY 141 Ca -0.14 -2.30 -0.05 0.00 0.00 0.00 0.00 46.02 43.53 3g3f n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3f h ALA 142 N 0.93 1.04 -0.24 4.61 0.00 -1.88 -1.88 119.26 121.85 3g3f h ALA 142 Ca -0.30 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3g3f h ALA 142 Cb 1.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3g3f h ALA 142 CO 0.49 0.58 0.02 1.15 0.00 0.00 0.00 179.25 181.49 3g3f h THR 143 N 0.56 1.24 -0.37 0.00 2.02 -1.95 -0.26 112.91 114.14 3g3f h THR 143 Ca 0.09 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.50 3g3f h THR 143 Cb 0.63 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 3g3f h THR 143 CO 0.04 0.26 0.13 -0.03 0.37 0.00 0.00 175.52 176.29 3g3f h MET 144 N 0.19 0.28 -0.23 6.66 -1.53 -1.72 -2.06 114.93 116.52 3g3f h MET 144 Ca 0.07 -0.02 -0.07 0.00 -3.44 0.00 0.00 59.70 56.24 3g3f h MET 144 Cb 0.36 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.33 3g3f h MET 144 CO 0.01 0.18 -0.18 1.15 0.14 0.00 0.00 176.91 178.21 3g3f h THR 145 N 0.28 1.23 -0.21 -0.77 2.02 -1.16 -0.21 112.91 114.10 3g3f h THR 145 Ca 0.17 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.31 3g3f h THR 145 Cb 0.15 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3g3f h THR 145 CO -0.18 0.34 0.07 0.15 0.37 0.00 0.00 175.52 176.27 3g3f h PHE 146 N 0.37 0.13 -0.39 3.16 3.57 -0.36 -1.05 116.94 122.37 3g3f h PHE 146 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3g3f h PHE 146 Cb 0.53 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3g3f h PHE 146 CO 0.01 0.07 0.09 0.74 -2.23 0.00 0.00 178.31 176.99 3g3f h PHE 147 N 0.17 0.67 -0.52 0.41 0.04 -0.99 -1.63 116.94 115.09 3g3f h PHE 147 Ca 0.09 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.82 3g3f h PHE 147 Cb 0.05 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 3g3f h PHE 147 CO -0.12 0.65 0.34 -0.22 -0.60 0.00 0.00 178.31 178.36 3g3f h LYS 148 N 0.49 0.52 0.00 1.51 3.64 -0.76 -2.64 116.57 119.33 3g3f h LYS 148 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3g3f h LYS 148 Cb 0.32 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3g3f h LYS 148 CO 0.00 0.34 -0.95 1.63 -2.27 0.00 0.00 179.45 178.21 3g3f n LYS 149 N -4.47 0.24 -2.38 1.90 4.76 -0.42 -4.99 118.16 112.80 3g3f n LYS 149 Ca 0.06 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.12 3g3f n LYS 149 Cb 0.19 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 3g3f n LYS 149 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3g3f s SER 150 N -3.80 6.82 0.00 4.39 0.15 -0.63 -4.92 113.70 115.72 3g3f s SER 150 Ca 0.05 2.29 0.22 0.00 0.70 0.00 0.00 55.95 59.21 3g3f s SER 150 Cb 0.15 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.75 3g3f s SER 150 CO 0.79 -0.46 1.01 0.29 1.20 0.00 0.00 173.24 176.07 3g3f n LYS 151 N 0.46 0.51 -2.34 5.44 5.02 -1.26 -4.24 118.16 121.75 3g3f n LYS 151 Ca 0.02 -0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 55.48 3g3f n LYS 151 Cb 0.46 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 3g3f n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g3f s ILE 152 N -2.78 3.77 0.18 -0.18 1.01 -1.26 -4.87 121.20 117.06 3g3f s ILE 152 Ca 0.13 1.28 -0.18 0.00 0.00 0.00 0.00 60.65 61.87 3g3f s ILE 152 Cb 0.17 -3.82 0.12 0.00 0.01 0.00 0.00 42.46 38.94 3g3f s ILE 152 CO 0.74 0.10 1.63 -1.28 0.00 0.00 0.00 174.94 176.13 3g3f h SER 153 N 6.72 -0.69 -0.35 3.58 0.87 -1.99 0.38 113.55 122.08 3g3f h SER 153 Ca -0.42 0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.33 3g3f h SER 153 Cb 1.21 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 63.52 3g3f h SER 153 CO 0.83 -0.23 0.16 0.74 -0.53 0.00 0.00 176.83 177.80 3g3f h THR 154 N -0.11 0.97 -0.05 2.23 2.02 -1.99 -1.29 112.91 114.69 3g3f h THR 154 Ca 0.21 -0.12 -0.21 0.00 0.77 0.00 0.00 66.41 67.07 3g3f h THR 154 Cb 0.44 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3g3f h THR 154 CO -0.51 0.06 -0.84 1.88 0.37 0.00 0.00 175.52 176.48 3g3f h TYR 155 N 0.34 0.66 -0.77 3.16 0.05 -1.70 -1.51 116.97 117.21 3g3f h TYR 155 Ca 0.15 -0.32 -0.05 0.00 0.05 0.00 0.00 58.73 58.56 3g3f h TYR 155 Cb 0.07 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3g3f h TYR 155 CO -0.11 1.12 0.29 0.22 -1.05 0.00 0.00 178.16 178.63 3g3f h ASP 156 N 0.30 1.06 -0.48 3.88 3.58 -0.81 0.12 116.42 124.07 3g3f h ASP 156 Ca -0.06 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.24 3g3f h ASP 156 Cb 1.45 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 3g3f h ASP 156 CO 0.15 0.95 0.29 0.50 -2.88 0.00 0.00 179.24 178.26 3g3f h LYS 157 N 1.12 0.57 -0.64 0.28 3.64 -1.07 -1.55 116.57 118.93 3g3f h LYS 157 Ca 0.25 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3g3f h LYS 157 Cb 0.23 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3g3f h LYS 157 CO -0.02 0.38 0.22 0.52 -2.27 0.00 0.00 179.45 178.28 3g3f h MET 158 N 0.59 0.97 -0.63 1.90 2.86 -0.95 -2.51 114.93 117.16 3g3f h MET 158 Ca 0.19 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g3f h MET 158 Cb -0.01 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3g3f h MET 158 CO -0.07 0.84 0.41 2.35 1.06 0.00 0.00 176.91 181.49 3g3f h TRP 159 N 0.90 0.81 -0.93 -0.22 2.91 -0.64 -0.71 115.95 118.08 3g3f h TRP 159 Ca 0.21 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.32 3g3f h TRP 159 Cb 0.26 -0.27 -0.07 0.00 -0.51 0.00 0.00 29.16 28.57 3g3f h TRP 159 CO 0.02 0.52 0.58 0.00 -1.03 0.00 0.00 178.44 178.53 3g3f h ALA 160 N 1.22 1.31 0.03 2.65 0.00 -0.99 0.16 119.26 123.63 3g3f h ALA 160 Ca 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3g3f h ALA 160 Cb -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3g3f h ALA 160 CO -0.05 0.29 -0.01 0.35 0.00 0.00 0.00 179.25 179.83 3g3f h PHE 161 N 1.01 -0.03 -0.76 0.00 3.57 -1.06 -1.74 116.94 117.93 3g3f h PHE 161 Ca 0.42 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 3g3f h PHE 161 Cb 0.26 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3g3f h PHE 161 CO -0.02 0.27 0.33 0.52 -2.23 0.00 0.00 178.31 177.17 3g3f h MET 162 N -0.33 1.11 -0.30 1.11 2.86 -0.68 -1.40 114.93 117.29 3g3f h MET 162 Ca -0.00 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3g3f h MET 162 Cb 0.32 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3g3f h MET 162 CO 0.01 0.89 0.06 1.03 1.06 0.00 0.00 176.91 179.95 3g3f h SER 163 N 1.10 0.48 -0.31 1.22 0.87 -0.71 0.02 113.55 116.22 3g3f h SER 163 Ca 0.26 -0.25 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3g3f h SER 163 Cb 0.17 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 3g3f h SER 163 CO -0.03 0.60 0.02 -1.28 -0.53 0.00 0.00 176.83 175.62 3g3f h SER 164 N 0.33 -0.08 -0.60 6.23 0.87 -1.03 -2.91 113.55 116.36 3g3f h SER 164 Ca 0.09 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3g3f h SER 164 Cb 0.32 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 3g3f h SER 164 CO 0.00 -0.00 0.13 0.54 -0.53 0.00 0.00 176.83 176.97 3g3f n ARG 165 N -5.14 4.03 0.18 2.24 1.74 -0.55 -4.73 116.66 114.43 3g3f n ARG 165 Ca 0.00 -2.82 0.05 0.00 -0.77 0.00 0.00 57.85 54.31 3g3f n ARG 165 Cb 0.15 -2.17 0.50 0.00 -1.02 0.00 0.00 32.46 29.92 3g3f n ARG 165 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3g3f h ARG 166 N 3.04 0.13 0.00 5.56 0.11 -0.78 -0.02 114.38 122.43 3g3f h ARG 166 Ca 0.12 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.16 3g3f h ARG 166 Cb 2.03 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 33.08 3g3f h ARG 166 CO 0.56 0.20 -0.12 1.96 0.10 0.00 0.00 179.97 182.67 3g3f h GLN 167 N 0.13 0.00 0.01 0.08 1.08 -1.86 -1.88 115.11 112.66 3g3f h GLN 167 Ca 0.03 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.85 3g3f h GLN 167 Cb 0.20 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.56 3g3f h GLN 167 CO 0.01 0.12 -2.39 0.45 -0.95 0.00 0.00 178.83 176.07 3g3f n SER 168 N -3.53 1.24 -0.00 1.46 2.88 -0.14 -4.76 113.62 110.77 3g3f n SER 168 Ca -0.01 -0.05 0.08 0.00 -1.33 0.00 0.00 58.87 57.56 3g3f n SER 168 Cb 0.26 0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.69 3g3f n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3g3f n VAL 169 N -3.08 0.00 -3.30 2.46 0.24 -0.48 -4.83 118.33 109.33 3g3f n VAL 169 Ca -0.39 -0.25 -0.38 0.00 -2.04 0.00 0.00 64.34 61.27 3g3f n VAL 169 Cb 1.06 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 3g3f n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3f s LEU 170 N -3.47 4.32 0.39 1.34 1.43 -0.72 -3.13 118.68 118.84 3g3f s LEU 170 Ca -0.00 0.90 0.08 0.00 -1.03 0.00 0.00 54.13 54.08 3g3f s LEU 170 Cb 0.11 -2.74 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 3g3f s LEU 170 CO 0.68 0.04 0.03 0.68 0.23 0.00 0.00 176.35 178.01 3g3f s VAL 171 N 0.36 2.21 -1.41 -1.59 -7.23 -0.59 -4.81 120.40 107.34 3g3f s VAL 171 Ca 0.27 -1.96 0.25 0.00 -1.81 0.00 0.00 61.98 58.73 3g3f s VAL 171 Cb -0.16 -2.91 0.10 0.00 0.56 0.00 0.00 36.38 33.97 3g3f s VAL 171 CO 0.12 -0.07 1.41 0.29 -0.31 0.00 0.00 175.10 176.54 3g3f n LYS 172 N -0.99 0.46 -3.49 4.82 4.76 -1.26 -0.31 118.16 122.15 3g3f n LYS 172 Ca -0.04 -0.30 -0.10 0.00 -2.87 0.00 0.00 58.31 55.00 3g3f n LYS 172 Cb 0.65 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 3g3f n LYS 172 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3g3f s SER 173 N -2.74 -0.47 0.23 4.39 1.04 -1.26 -4.84 113.70 110.05 3g3f s SER 173 Ca 0.17 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 3g3f s SER 173 Cb 0.18 0.53 0.27 0.00 0.10 0.00 0.00 66.02 67.10 3g3f s SER 173 CO 0.63 -0.87 1.86 0.78 0.98 0.00 0.00 173.24 176.62 3g3f h ASN 174 N 2.00 0.84 -0.81 7.02 2.35 -1.95 -2.02 115.58 123.02 3g3f h ASN 174 Ca -0.29 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3g3f h ASN 174 Cb 1.28 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 39.39 3g3f h ASN 174 CO 0.34 0.56 0.42 -0.08 -1.65 0.00 0.00 177.43 177.03 3g3f h GLU 175 N 0.98 0.63 -0.21 0.81 4.81 -1.97 -0.15 114.58 119.48 3g3f h GLU 175 Ca 0.34 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 3g3f h GLU 175 Cb 0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3g3f h GLU 175 CO -0.14 0.42 -0.41 0.93 -0.73 0.00 0.00 179.01 179.08 3g3f h GLU 176 N 0.65 0.50 -0.47 1.92 5.08 -1.80 -1.99 114.58 118.47 3g3f h GLU 176 Ca 0.42 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3g3f h GLU 176 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3g3f h GLU 176 CO -0.31 0.83 0.22 0.78 -1.00 0.00 0.00 179.01 179.52 3g3f h GLY 177 N 1.09 0.73 0.97 -3.84 0.00 -0.59 -1.56 103.07 99.86 3g3f h GLY 177 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3g3f h GLY 177 CO 0.08 0.35 0.42 -2.22 0.00 0.00 0.00 176.54 175.17 3g3f h ILE 178 N 0.61 1.14 -0.47 2.60 2.04 -0.90 -1.83 117.51 120.71 3g3f h ILE 178 Ca 0.16 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3g3f h ILE 178 Cb 0.14 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3g3f h ILE 178 CO -0.02 0.16 0.18 1.56 0.00 0.00 0.00 178.15 180.03 3g3f h GLN 179 N 0.86 0.67 -0.34 2.37 1.08 -1.11 -1.75 115.11 116.90 3g3f h GLN 179 Ca 0.25 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 57.21 3g3f h GLN 179 Cb -0.07 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3g3f h GLN 179 CO -0.07 0.56 -0.35 -0.09 -0.95 0.00 0.00 178.83 177.94 3g3f h ARG 180 N 0.67 0.76 -0.94 1.46 9.65 -0.74 -1.52 114.38 123.72 3g3f h ARG 180 Ca 0.16 -0.37 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3g3f h ARG 180 Cb 0.15 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 3g3f h ARG 180 CO -0.01 0.99 0.57 0.28 2.80 0.00 0.00 179.97 184.59 3g3f h VAL 181 N 0.63 1.26 0.00 0.20 2.07 -0.71 -1.50 116.25 118.20 3g3f h VAL 181 Ca 0.06 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3g3f h VAL 181 Cb 0.88 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3g3f h VAL 181 CO 0.08 0.27 -0.07 -0.07 0.02 0.00 0.00 177.57 177.80 3g3f h LEU 182 N 1.29 0.00 -0.86 2.57 3.38 -0.92 -3.35 115.31 117.42 3g3f h LEU 182 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3g3f h LEU 182 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3g3f h LEU 182 CO -0.06 0.07 -0.01 0.35 0.09 0.00 0.00 178.44 178.88 3g3f n THR 183 N -3.14 0.00 -3.94 0.22 -2.24 -0.61 -5.06 114.28 99.52 3g3f n THR 183 Ca 0.02 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 3g3f n THR 183 Cb 0.47 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 3g3f n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g3f s SER 184 N -0.30 0.10 -1.07 3.42 1.04 -0.58 -5.04 113.70 111.26 3g3f s SER 184 Ca 0.01 -1.03 -0.17 0.00 0.48 0.00 0.00 55.95 55.24 3g3f s SER 184 Cb 0.01 0.70 0.14 0.00 0.10 0.00 0.00 66.02 66.97 3g3f s SER 184 CO 0.02 -1.36 1.31 -0.62 0.98 0.00 0.00 173.24 173.57 3g3f s ASP 185 N -3.06 6.81 -0.10 7.02 2.15 -1.26 -4.58 116.67 123.65 3g3f s ASP 185 Ca 0.20 -2.40 -0.07 0.00 0.43 0.00 0.00 52.55 50.70 3g3f s ASP 185 Cb -0.03 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3g3f s ASP 185 CO 0.11 -0.98 0.25 -0.47 -0.17 0.00 0.00 175.17 173.92 3g3f s TYR 186 N 2.51 -0.31 -0.09 -5.34 6.14 -1.26 -1.88 117.35 117.12 3g3f s TYR 186 Ca 0.39 0.74 -0.00 0.00 0.64 0.00 0.00 57.07 58.83 3g3f s TYR 186 Cb -0.03 0.08 -0.03 0.00 0.42 0.00 0.00 41.96 42.40 3g3f s TYR 186 CO -0.05 -0.18 -0.06 0.00 0.64 0.00 0.00 175.55 175.90 3g3f s ALA 187 N 0.61 2.99 -0.18 3.97 0.00 0.23 -4.36 121.76 125.03 3g3f s ALA 187 Ca -0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3g3f s ALA 187 Cb -0.05 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 3g3f s ALA 187 CO -0.04 0.49 -0.07 0.12 0.00 0.00 0.00 175.76 176.26 3g3f s PHE 188 N -0.53 2.92 -0.29 0.00 5.36 -0.27 -2.60 117.98 122.56 3g3f s PHE 188 Ca 0.08 -0.71 -0.27 0.00 -0.96 0.00 0.00 56.93 55.08 3g3f s PHE 188 Cb -0.12 -1.98 0.01 0.00 -0.34 0.00 0.00 43.02 40.59 3g3f s PHE 188 CO 0.02 -0.33 0.96 -0.51 -1.46 0.00 0.00 175.22 173.90 3g3f s LEU 189 N 0.85 4.03 0.05 6.12 1.02 0.09 -0.53 118.68 130.32 3g3f s LEU 189 Ca -0.02 1.00 -0.07 0.00 0.02 0.00 0.00 54.13 55.06 3g3f s LEU 189 Cb -0.15 -3.36 -0.01 0.00 0.02 0.00 0.00 46.19 42.69 3g3f s LEU 189 CO 0.01 -0.72 0.13 -0.32 0.02 0.00 0.00 176.35 175.47 3g3f s MET 190 N 3.26 0.68 0.30 1.70 1.75 -0.36 -4.51 119.30 122.13 3g3f s MET 190 Ca 0.40 -0.85 -0.28 0.00 -1.25 0.00 0.00 55.69 53.71 3g3f s MET 190 Cb -0.14 0.27 -0.09 0.00 2.84 0.00 0.00 34.83 37.71 3g3f s MET 190 CO 0.12 -0.19 1.02 -1.21 -0.65 0.00 0.00 175.02 174.11 3g3f s GLU 191 N -3.13 4.60 0.32 4.11 2.02 -1.26 -0.91 118.70 124.44 3g3f s GLU 191 Ca -0.01 1.59 0.03 0.00 0.02 0.00 0.00 54.97 56.60 3g3f s GLU 191 Cb 0.02 -3.03 0.54 0.00 0.10 0.00 0.00 34.13 31.76 3g3f s GLU 191 CO -0.07 0.23 1.86 0.66 0.02 0.00 0.00 175.26 177.97 3g3f h SER 192 N 3.55 0.58 -0.38 -0.19 4.64 -1.08 -1.29 113.55 119.38 3g3f h SER 192 Ca -0.47 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 60.68 3g3f h SER 192 Cb 1.21 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3g3f h SER 192 CO 0.66 0.62 0.00 0.71 -0.87 0.00 0.00 176.83 177.95 3g3f h THR 193 N 0.60 1.24 -0.27 2.95 1.35 -1.90 -1.42 112.91 115.45 3g3f h THR 193 Ca 0.13 -0.98 -0.19 0.00 -0.55 0.00 0.00 66.41 64.82 3g3f h THR 193 Cb 0.31 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3g3f h THR 193 CO 0.01 0.34 -0.58 0.74 -0.25 0.00 0.00 175.52 175.78 3g3f h THR 194 N 0.72 1.27 -0.65 6.82 2.02 -1.73 -2.75 112.91 118.62 3g3f h THR 194 Ca 0.14 -1.76 0.08 0.00 0.77 0.00 0.00 66.41 65.64 3g3f h THR 194 Cb 0.44 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 3g3f h THR 194 CO 0.02 0.57 0.32 0.40 0.37 0.00 0.00 175.52 177.20 3g3f h ILE 195 N 0.66 0.88 -0.68 3.11 2.04 -0.99 -0.60 117.51 121.93 3g3f h ILE 195 Ca 0.01 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3g3f h ILE 195 Cb 1.19 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3g3f h ILE 195 CO 0.13 0.11 0.43 -0.08 0.00 0.00 0.00 178.15 178.73 3g3f h GLU 196 N 0.58 0.81 -0.13 2.37 4.81 -1.17 -0.02 114.58 121.83 3g3f h GLU 196 Ca 0.31 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3g3f h GLU 196 Cb 0.28 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3g3f h GLU 196 CO -0.23 0.54 0.05 0.35 -0.73 0.00 0.00 179.01 178.98 3g3f h PHE 197 N 0.84 0.19 -0.43 0.92 3.57 -1.07 -2.72 116.94 118.24 3g3f h PHE 197 Ca 0.27 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 3g3f h PHE 197 Cb 0.01 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3g3f h PHE 197 CO -0.04 0.28 -0.09 0.28 -2.23 0.00 0.00 178.31 176.51 3g3f h VAL 198 N 0.05 1.27 0.00 1.41 2.07 -0.70 -3.03 116.25 117.31 3g3f h VAL 198 Ca 0.04 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3g3f h VAL 198 Cb 0.17 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3g3f h VAL 198 CO -0.00 0.40 -0.08 0.71 0.02 0.00 0.00 177.57 178.63 3g3f h THR 199 N 0.65 0.17 0.00 2.57 1.35 -1.04 -0.86 112.91 115.74 3g3f h THR 199 Ca 0.11 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 65.07 3g3f h THR 199 Cb 0.62 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 3g3f h THR 199 CO 0.04 0.07 -0.18 1.56 -0.25 0.00 0.00 175.52 176.77 3g3f h GLN 200 N 0.00 0.00 0.00 4.72 4.20 -1.36 -3.29 115.11 119.38 3g3f h GLN 200 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g3f h GLN 200 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3g3f h GLN 200 CO 0.01 0.18 -0.66 0.54 -0.67 0.00 0.00 178.83 178.23 3g3f n ARG 201 N -3.48 3.20 -3.84 1.46 1.74 -0.94 -3.03 116.66 111.77 3g3f n ARG 201 Ca -0.01 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 3g3f n ARG 201 Cb 0.34 -0.91 -0.15 0.00 -1.02 0.00 0.00 32.46 30.72 3g3f n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3g3f s ASN 202 N -1.98 4.06 0.00 0.55 3.84 -0.37 -4.99 114.94 116.04 3g3f s ASN 202 Ca 0.00 -1.57 0.27 0.00 0.21 0.00 0.00 52.86 51.77 3g3f s ASN 202 Cb 0.04 -1.08 1.56 0.00 -0.55 0.00 0.00 41.25 41.21 3g3f s ASN 202 CO 0.23 -0.36 1.96 0.00 -2.79 0.00 0.00 177.10 176.14 3g3f n ASN 204 N -1.07 0.50 -4.71 0.00 3.02 -1.26 -4.92 115.26 106.82 3g3f n ASN 204 Ca 0.18 -0.27 -0.24 0.00 -0.03 0.00 0.00 54.58 54.23 3g3f n ASN 204 Cb 0.12 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 3g3f n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g3f s LEU 205 N -2.85 3.43 0.07 3.41 1.43 -0.78 -1.58 118.68 121.81 3g3f s LEU 205 Ca 0.16 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3g3f s LEU 205 Cb 0.18 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3g3f s LEU 205 CO 0.61 0.01 0.32 0.28 0.23 0.00 0.00 176.35 177.81 3g3f s THR 206 N -2.10 0.08 0.29 5.49 -1.32 -0.19 -4.78 115.64 113.12 3g3f s THR 206 Ca 0.31 -0.70 -0.29 0.00 -1.21 0.00 0.00 61.69 59.80 3g3f s THR 206 Cb -0.08 -1.05 -0.10 0.00 -1.51 0.00 0.00 72.50 69.77 3g3f s THR 206 CO 0.21 -0.38 1.15 -1.58 -2.21 0.00 0.00 174.62 171.81 3g3f s GLN 207 N -3.00 4.57 -0.15 7.08 0.74 -1.26 -1.65 119.66 125.98 3g3f s GLN 207 Ca -0.02 1.89 -0.01 0.00 0.05 0.00 0.00 55.36 57.28 3g3f s GLN 207 Cb 0.01 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.94 3g3f s GLN 207 CO -0.06 0.11 -0.12 0.42 -0.55 0.00 0.00 175.29 175.10 3g3f s ILE 208 N -1.10 3.04 0.00 -2.34 -1.09 0.24 -4.94 121.20 115.01 3g3f s ILE 208 Ca 0.46 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 3g3f s ILE 208 Cb -0.34 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.24 3g3f s ILE 208 CO 0.43 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.26 3g3f n GLY 209 N 3.89 -1.16 0.00 6.18 0.00 -1.20 -3.69 105.19 109.21 3g3f n GLY 209 Ca -0.18 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3g3f n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3f n GLY 210 N 0.00 2.24 3.73 -0.02 0.00 -1.26 -4.89 105.19 104.98 3g3f n GLY 210 Ca 0.00 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3g3f n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3f s LEU 211 N 0.00 4.43 0.14 0.99 1.02 -1.26 -4.57 118.68 119.42 3g3f s LEU 211 Ca 0.00 1.54 0.10 0.00 0.02 0.00 0.00 54.13 55.79 3g3f s LEU 211 Cb 0.00 -3.37 -0.14 0.00 0.02 0.00 0.00 46.19 42.70 3g3f s LEU 211 CO 0.00 -0.08 1.24 0.40 0.02 0.00 0.00 176.35 177.93 3g3f h ILE 212 N 4.34 1.38 -2.44 -0.59 2.04 -1.02 -3.48 117.51 117.74 3g3f h ILE 212 Ca -0.43 -3.01 -0.05 0.00 1.00 0.00 0.00 64.86 62.37 3g3f h ILE 212 Cb 1.21 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.95 3g3f h ILE 212 CO 0.73 0.79 0.01 -0.90 0.00 0.00 0.00 178.15 178.77 3g3f n ASP 213 N -3.27 -0.48 -3.79 1.72 5.75 -1.26 -4.96 116.55 110.26 3g3f n ASP 213 Ca -0.02 -1.48 -0.16 0.00 -0.01 0.00 0.00 54.79 53.12 3g3f n ASP 213 Cb 0.90 0.84 -0.16 0.00 -1.03 0.00 0.00 41.12 41.66 3g3f n ASP 213 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3g3f s SER 214 N -1.58 0.23 0.26 -1.12 0.15 -1.26 -4.19 113.70 106.18 3g3f s SER 214 Ca 0.06 0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 3g3f s SER 214 Cb -0.01 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 3g3f s SER 214 CO 0.05 -0.11 0.58 -1.59 1.20 0.00 0.00 173.24 173.36 3g3f s LYS 215 N 1.04 1.64 0.24 5.44 -2.85 -0.13 -4.99 119.74 120.13 3g3f s LYS 215 Ca -0.10 -1.13 0.10 0.00 -1.00 0.00 0.00 55.97 53.85 3g3f s LYS 215 Cb -0.13 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 3g3f s LYS 215 CO -0.02 -0.71 -0.10 0.20 0.10 0.00 0.00 175.35 174.81 3g3f s GLY 216 N -2.97 1.74 -0.04 0.59 0.00 -1.26 -0.89 107.32 104.49 3g3f s GLY 216 Ca 0.17 -1.67 -0.15 0.00 0.00 0.00 0.00 44.72 43.07 3g3f s GLY 216 CO 0.08 -1.73 0.39 -0.19 0.00 0.00 0.00 173.10 171.65 3g3f s TYR 217 N -2.17 3.67 0.18 1.90 2.02 -0.37 -0.76 117.35 121.82 3g3f s TYR 217 Ca 0.28 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 3g3f s TYR 217 Cb -0.07 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 3g3f s TYR 217 CO 0.16 0.55 0.05 0.20 -1.57 0.00 0.00 175.55 174.95 3g3f s GLY 218 N -0.72 1.27 -0.06 0.71 0.00 -0.83 -0.96 107.32 106.73 3g3f s GLY 218 Ca 0.23 -1.62 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 3g3f s GLY 218 CO 0.11 -1.47 1.05 0.14 0.00 0.00 0.00 173.10 172.93 3g3f s VAL 219 N -3.86 4.65 0.21 1.40 1.01 -1.26 -4.43 120.40 118.12 3g3f s VAL 219 Ca 0.28 1.92 -0.16 0.00 0.00 0.00 0.00 61.98 64.03 3g3f s VAL 219 Cb 0.07 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 3g3f s VAL 219 CO 0.06 0.05 0.63 -0.83 0.00 0.00 0.00 175.10 175.01 3g3f s GLY 220 N 1.14 2.47 0.06 4.51 0.00 -0.50 -0.88 107.32 114.13 3g3f s GLY 220 Ca 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 44.72 45.21 3g3f s GLY 220 CO 0.22 0.26 -0.04 -0.51 0.00 0.00 0.00 173.10 173.03 3g3f s THR 221 N -1.60 0.32 0.80 0.90 -4.23 -0.28 -0.44 115.64 111.11 3g3f s THR 221 Ca 0.43 -1.79 -0.14 0.00 -1.18 0.00 0.00 61.69 59.02 3g3f s THR 221 Cb -0.14 -1.49 0.08 0.00 1.34 0.00 0.00 72.50 72.29 3g3f s THR 221 CO 0.20 -0.94 1.21 -2.84 -0.54 0.00 0.00 174.62 171.71 3g3f s PRO 222 N -3.76 1.69 0.21 3.99 0.02 -1.26 -1.08 135.00 134.81 3g3f s PRO 222 Ca 0.07 1.79 -0.32 0.00 0.02 0.00 0.00 61.00 62.55 3g3f s PRO 222 Cb 0.06 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.68 3g3f s PRO 222 CO -0.08 -2.18 1.59 -0.12 -0.33 0.00 0.00 177.00 175.88 3g3f n MET 223 N -3.20 2.37 -0.53 5.54 0.00 -1.26 -1.54 117.12 118.51 3g3f n MET 223 Ca 0.14 0.85 0.00 0.00 -0.00 0.00 0.00 57.70 58.69 3g3f n MET 223 Cb 0.50 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 31.10 3g3f n MET 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3g3f n GLY 224 N 3.17 1.16 3.74 -5.12 0.00 -1.26 -4.96 105.19 101.92 3g3f n GLY 224 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3g3f n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3f s SER 225 N -3.10 6.44 0.27 1.61 0.15 -0.59 -4.89 113.70 113.59 3g3f s SER 225 Ca 0.00 2.86 0.23 0.00 0.70 0.00 0.00 55.95 59.75 3g3f s SER 225 Cb 0.00 -2.62 1.00 0.00 -1.71 0.00 0.00 66.02 62.69 3g3f s SER 225 CO 0.00 -0.88 1.71 -0.81 1.20 0.00 0.00 173.24 174.46 3g3f n PRO 226 N 2.59 0.19 0.25 5.44 -0.04 -1.26 -2.66 135.00 139.50 3g3f n PRO 226 Ca 0.09 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 3g3f n PRO 226 Cb 0.38 -1.88 0.53 0.00 -0.04 0.00 0.00 33.50 32.48 3g3f n PRO 226 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3f h TYR 227 N 0.00 0.00 0.25 0.54 0.05 -1.97 -3.31 116.97 112.53 3g3f h TYR 227 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3g3f h TYR 227 Cb 0.33 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3g3f h TYR 227 CO 0.00 0.10 -0.37 -0.09 -1.05 0.00 0.00 178.16 176.75 3g3f h ARG 228 N 0.00 -0.66 -0.16 4.88 2.43 -1.89 0.40 114.38 119.37 3g3f h ARG 228 Ca -0.00 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3g3f h ARG 228 Cb 0.68 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3g3f h ARG 228 CO 0.01 -0.44 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.18 3g3f h ASP 229 N -0.68 0.40 -0.59 -3.80 3.32 -1.80 -1.62 116.42 111.65 3g3f h ASP 229 Ca -0.00 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 3g3f h ASP 229 Cb 0.66 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3g3f h ASP 229 CO -0.14 0.77 0.12 0.11 -1.72 0.00 0.00 179.24 178.38 3g3f h LYS 230 N 0.31 0.96 -0.41 3.56 1.57 -1.59 -2.10 116.57 118.87 3g3f h LYS 230 Ca 0.03 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 3g3f h LYS 230 Cb 0.87 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3g3f h LYS 230 CO 0.07 0.90 -0.22 0.82 -0.57 0.00 0.00 179.45 180.45 3g3f h ILE 231 N 0.86 1.27 -0.41 1.86 2.04 -0.69 -1.85 117.51 120.59 3g3f h ILE 231 Ca 0.18 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.76 3g3f h ILE 231 Cb 0.39 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3g3f h ILE 231 CO 0.01 0.46 0.03 0.74 0.00 0.00 0.00 178.15 179.38 3g3f h THR 232 N 0.72 0.72 -0.56 -0.27 2.02 -1.13 0.82 112.91 115.23 3g3f h THR 232 Ca 0.10 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3g3f h THR 232 Cb 0.75 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3g3f h THR 232 CO 0.06 0.02 0.20 0.40 0.37 0.00 0.00 175.52 176.57 3g3f h ILE 233 N 0.14 1.23 -0.71 3.11 2.04 -1.18 -1.20 117.51 120.94 3g3f h ILE 233 Ca 0.20 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3g3f h ILE 233 Cb 0.27 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3g3f h ILE 233 CO -0.31 0.29 0.19 0.00 0.00 0.00 0.00 178.15 178.31 3g3f h ALA 234 N 1.05 1.00 -0.63 1.87 0.00 -0.93 -1.38 119.26 120.24 3g3f h ALA 234 Ca 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3g3f h ALA 234 Cb 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3g3f h ALA 234 CO -0.01 0.66 0.31 0.82 0.00 0.00 0.00 179.25 181.03 3g3f h ILE 235 N 1.06 1.21 -0.86 0.00 2.04 -0.49 -0.82 117.51 119.65 3g3f h ILE 235 Ca 0.22 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3g3f h ILE 235 Cb 0.35 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3g3f h ILE 235 CO -0.00 0.24 0.45 -0.07 0.00 0.00 0.00 178.15 178.77 3g3f h LEU 236 N 0.86 1.10 -0.06 1.44 3.38 -0.92 0.25 115.31 121.36 3g3f h LEU 236 Ca 0.22 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g3f h LEU 236 Cb 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3g3f h LEU 236 CO -0.03 0.89 0.02 -0.61 0.09 0.00 0.00 178.44 178.81 3g3f h GLN 237 N 1.22 0.09 -0.43 1.13 4.15 -0.87 -1.76 115.11 118.63 3g3f h GLN 237 Ca 0.30 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.70 3g3f h GLN 237 Cb 0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3g3f h GLN 237 CO -0.04 0.24 0.23 -0.07 -1.93 0.00 0.00 178.83 177.25 3g3f h LEU 238 N -0.08 0.52 -0.09 -2.39 3.38 -0.74 -1.33 115.31 114.57 3g3f h LEU 238 Ca 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3g3f h LEU 238 Cb 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3g3f h LEU 238 CO -0.00 0.42 -0.02 -0.61 0.09 0.00 0.00 178.44 178.33 3g3f h GLN 239 N 0.59 0.18 -0.14 1.13 -0.00 -0.80 -0.69 115.11 115.38 3g3f h GLN 239 Ca 0.15 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 3g3f h GLN 239 Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 3g3f h GLN 239 CO -0.02 0.48 -0.29 1.49 0.00 0.00 0.00 178.83 180.49 3g3f h GLU 240 N -0.14 0.26 0.00 1.69 4.81 -0.92 -1.60 114.58 118.68 3g3f h GLU 240 Ca 0.02 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3g3f h GLU 240 Cb 0.41 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3g3f h GLU 240 CO 0.01 0.53 0.00 0.39 -0.73 0.00 0.00 179.01 179.20 3g3f n GLU 241 N -4.13 0.05 -0.46 1.92 1.02 -0.54 -4.89 120.64 113.61 3g3f n GLU 241 Ca -0.01 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3g3f n GLU 241 Cb 0.39 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3g3f n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3f n GLY 242 N 1.10 0.76 0.19 0.62 0.00 -0.60 -4.98 105.19 102.28 3g3f n GLY 242 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3g3f n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3f h LYS 243 N 3.08 0.49 -0.24 1.61 1.57 -1.33 -2.01 116.57 119.73 3g3f h LYS 243 Ca 0.00 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.32 3g3f h LYS 243 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3g3f h LYS 243 CO 0.00 1.00 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.59 3g3f h LEU 244 N 0.34 0.44 -0.44 2.94 3.38 -1.80 -1.09 115.31 119.08 3g3f h LEU 244 Ca -0.02 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3g3f h LEU 244 Cb 1.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3g3f h LEU 244 CO 0.12 0.67 -0.26 -0.74 0.09 0.00 0.00 178.44 178.32 3g3f h HIS 245 N 0.40 1.11 -0.90 1.13 2.76 -1.82 -1.12 115.15 116.71 3g3f h HIS 245 Ca 0.06 -0.29 -0.01 0.00 -2.20 0.00 0.00 60.37 57.93 3g3f h HIS 245 Cb 0.61 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 3g3f h HIS 245 CO 0.02 1.11 0.51 0.52 -1.30 0.00 0.00 177.93 178.79 3g3f h MET 246 N 0.79 1.24 -0.60 5.26 2.86 -1.04 -1.20 114.93 122.24 3g3f h MET 246 Ca 0.09 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 3g3f h MET 246 Cb 0.84 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3g3f h MET 246 CO 0.07 0.89 0.02 0.52 1.06 0.00 0.00 176.91 179.48 3g3f h MET 247 N 1.25 1.04 0.04 1.72 2.07 -0.92 -0.57 114.93 119.57 3g3f h MET 247 Ca 0.32 -0.32 0.02 0.00 -2.07 0.00 0.00 59.70 57.65 3g3f h MET 247 Cb -0.00 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.60 3g3f h MET 247 CO -0.05 1.01 -0.16 -0.22 1.07 0.00 0.00 176.91 178.56 3g3f h LYS 248 N 0.94 -0.27 -0.93 1.72 1.63 -0.87 -2.28 116.57 116.50 3g3f h LYS 248 Ca 0.17 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3g3f h LYS 248 Cb 0.53 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.18 3g3f h LYS 248 CO 0.03 -0.18 0.58 1.49 -3.45 0.00 0.00 179.45 177.92 3g3f h GLU 249 N -0.28 1.26 -0.52 1.90 4.81 -1.03 -0.21 114.58 120.51 3g3f h GLU 249 Ca 0.04 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3g3f h GLU 249 Cb 0.32 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3g3f h GLU 249 CO -0.12 0.87 0.29 -0.22 -0.73 0.00 0.00 179.01 179.09 3g3f h LYS 250 N 1.28 0.72 0.00 1.92 3.64 -0.75 -1.22 116.57 122.16 3g3f h LYS 250 Ca 0.34 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3g3f h LYS 250 Cb -0.08 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3g3f h LYS 250 CO -0.07 0.55 -1.18 0.91 -2.27 0.00 0.00 179.45 177.39 3g3f n TRP 251 N -4.65 0.70 0.96 1.91 7.02 -0.89 -3.89 117.44 118.60 3g3f n TRP 251 Ca 0.02 0.20 0.10 0.00 -1.02 0.00 0.00 57.50 56.81 3g3f n TRP 251 Cb 0.08 -0.81 -0.08 0.00 -2.42 0.00 0.00 31.31 28.08 3g3f n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3f n TRP 252 N -2.51 0.00 -1.70 -5.99 8.01 -0.12 -4.84 117.44 110.30 3g3f n TRP 252 Ca -0.00 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.76 3g3f n TRP 252 Cb 0.54 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.81 3g3f n TRP 252 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.69 175.70 3g3f s ARG 253 N -2.73 3.90 0.31 -0.99 1.70 -0.46 -5.01 118.95 115.66 3g3f s ARG 253 Ca 0.11 2.41 -0.17 0.00 -0.47 0.00 0.00 55.73 57.61 3g3f s ARG 253 Cb 0.16 -4.19 0.03 0.00 -0.57 0.00 0.00 34.95 30.37 3g3f s ARG 253 CO 0.73 -1.23 0.69 0.20 -1.08 0.00 0.00 175.30 174.62 3g3f s GLY 256 N 5.24 0.23 0.00 3.88 0.00 -1.17 -5.05 107.32 110.45 3g3f s GLY 256 Ca 0.89 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.02 3g3f s GLY 256 CO 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 173.10 173.20