#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3f s ARG 4 N 0.00 4.36 0.34 1.20 3.52 -1.26 -4.91 118.95 122.20 3g3f s ARG 4 Ca 0.00 2.19 -0.28 0.00 -0.13 0.00 0.00 55.73 57.52 3g3f s ARG 4 Cb 0.00 -3.10 -0.09 0.00 -1.56 0.00 0.00 34.95 30.20 3g3f s ARG 4 CO 0.00 -0.21 1.20 -1.12 -0.81 0.00 0.00 175.30 174.36 3g3f s SER 5 N -0.27 6.81 0.23 -2.12 0.01 -1.26 -4.70 113.70 112.40 3g3f s SER 5 Ca 0.51 2.45 -0.30 0.00 1.31 0.00 0.00 55.95 59.92 3g3f s SER 5 Cb -0.39 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.12 3g3f s SER 5 CO 0.49 -0.48 0.95 -0.76 0.41 0.00 0.00 173.24 173.85 3g3f s LEU 6 N -1.97 4.63 -0.19 2.44 1.43 -0.09 -4.81 118.68 120.12 3g3f s LEU 6 Ca 0.51 1.96 -0.23 0.00 -1.03 0.00 0.00 54.13 55.33 3g3f s LEU 6 Cb -0.34 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 3g3f s LEU 6 CO 0.44 0.12 0.76 -0.63 0.23 0.00 0.00 176.35 177.27 3g3f s ILE 7 N -1.06 4.92 -0.29 -0.59 1.01 -1.26 -0.79 121.20 123.14 3g3f s ILE 7 Ca 0.42 1.46 -0.03 0.00 0.00 0.00 0.00 60.65 62.49 3g3f s ILE 7 Cb -0.26 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.18 3g3f s ILE 7 CO 0.32 0.04 0.01 -0.69 0.00 0.00 0.00 174.94 174.63 3g3f s VAL 8 N 2.18 3.27 0.27 2.92 1.01 -0.42 -0.56 120.40 129.06 3g3f s VAL 8 Ca 0.34 -1.10 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 3g3f s VAL 8 Cb -0.16 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 3g3f s VAL 8 CO 0.11 0.01 0.83 0.28 0.00 0.00 0.00 175.10 176.33 3g3f s THR 9 N 1.35 4.39 0.26 3.92 -1.32 -0.13 -0.71 115.64 123.39 3g3f s THR 9 Ca -0.02 1.56 -0.05 0.00 -1.21 0.00 0.00 61.69 61.98 3g3f s THR 9 Cb -0.18 -3.94 0.02 0.00 -1.51 0.00 0.00 72.50 66.88 3g3f s THR 9 CO -0.01 0.19 0.42 1.07 -2.21 0.00 0.00 174.62 174.08 3g3f n THR 10 N 0.68 0.00 -3.79 5.08 5.66 -0.92 -1.87 114.28 119.11 3g3f n THR 10 Ca -0.00 -1.02 -0.13 0.00 -3.05 0.00 0.00 64.05 59.85 3g3f n THR 10 Cb 0.50 0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 69.92 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 -2.57 0.04 -0.00 1.09 2.07 -1.26 -0.71 121.20 119.85 3g3f s ILE 11 Ca 0.17 -0.33 -0.30 0.00 -1.41 0.00 0.00 60.65 58.78 3g3f s ILE 11 Cb -0.02 -0.47 -0.05 0.00 0.13 0.00 0.00 42.46 42.05 3g3f s ILE 11 CO 0.12 -0.18 1.38 -0.76 -1.91 0.00 0.00 174.94 173.59 3g3f s LEU 12 N -0.72 4.31 -0.30 8.50 1.43 -1.26 -4.61 118.68 126.03 3g3f s LEU 12 Ca -0.08 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.07 3g3f s LEU 12 Cb -0.04 -3.56 0.19 0.00 0.03 0.00 0.00 46.19 42.80 3g3f s LEU 12 CO 0.02 -0.70 0.69 -0.70 0.23 0.00 0.00 176.35 175.89 3g3f s GLU 13 N 2.35 0.49 0.26 1.70 2.56 0.06 -4.98 118.70 121.15 3g3f s GLU 13 Ca 0.63 0.86 -0.29 0.00 0.00 0.00 0.00 54.97 56.17 3g3f s GLU 13 Cb -0.31 0.48 -0.09 0.00 2.00 0.00 0.00 34.13 36.21 3g3f s GLU 13 CO 0.26 -0.54 1.25 -1.21 -0.56 0.00 0.00 175.26 174.46 3g3f s GLU 14 N 2.88 4.45 -0.27 4.30 2.02 -1.25 -0.50 118.70 130.32 3g3f s GLU 14 Ca 0.16 2.03 0.12 0.00 0.02 0.00 0.00 54.97 57.31 3g3f s GLU 14 Cb -0.14 -3.15 0.79 0.00 0.10 0.00 0.00 34.13 31.72 3g3f s GLU 14 CO -0.19 -0.10 1.77 -0.35 0.02 0.00 0.00 175.26 176.40 3g3f n PRO 15 N 1.64 4.38 0.05 0.39 -0.04 -1.26 -4.90 135.00 135.26 3g3f n PRO 15 Ca 0.02 -3.14 -0.20 0.00 -0.04 0.00 0.00 63.50 60.15 3g3f n PRO 15 Cb 0.43 -2.24 -0.13 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.40 0.64 -2.80 0.54 -1.99 -1.13 -1.18 116.97 114.44 3g3f h TYR 16 Ca 0.10 -0.42 -0.19 0.00 2.00 0.00 0.00 58.73 60.22 3g3f h TYR 16 Cb 2.11 -0.04 -0.31 0.00 2.00 0.00 0.00 36.73 40.48 3g3f h TYR 16 CO 1.16 1.29 -0.49 0.08 -0.00 0.00 0.00 178.16 180.19 3g3f s VAL 17 N -2.75 -0.43 0.05 -2.88 1.01 -0.22 -0.67 120.40 114.52 3g3f s VAL 17 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3g3f s VAL 17 Cb 0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3g3f s VAL 17 CO 0.85 0.10 -0.04 -0.76 0.00 0.00 0.00 175.10 175.25 3g3f s LEU 18 N 2.36 2.39 0.02 3.92 1.02 0.23 -0.76 118.68 127.86 3g3f s LEU 18 Ca -0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 54.13 53.06 3g3f s LEU 18 Cb -0.12 0.07 -0.04 0.00 0.02 0.00 0.00 46.19 46.13 3g3f s LEU 18 CO -0.09 -0.43 1.00 -0.36 0.02 0.00 0.00 176.35 176.48 3g3f s PHE 19 N -2.79 3.66 0.43 0.29 2.99 -1.26 -0.91 117.98 120.39 3g3f s PHE 19 Ca -0.01 1.68 -0.26 0.00 0.00 0.00 0.00 56.93 58.34 3g3f s PHE 19 Cb -0.00 -3.14 -0.08 0.00 0.00 0.00 0.00 43.02 39.79 3g3f s PHE 19 CO -0.05 -0.09 1.39 0.15 -0.00 0.00 0.00 175.22 176.61 3g3f s LYS 20 N 0.89 3.79 0.16 0.44 1.02 -0.24 -4.88 119.74 120.93 3g3f s LYS 20 Ca 0.52 2.33 -0.26 0.00 0.02 0.00 0.00 55.97 58.58 3g3f s LYS 20 Cb -0.22 -2.70 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 3g3f s LYS 20 CO 0.28 -0.70 0.81 0.15 -0.92 0.00 0.00 175.35 174.97 3g3f s LYS 21 N -2.37 4.61 0.04 1.68 1.02 -1.26 -4.99 119.74 118.46 3g3f s LYS 21 Ca 0.59 1.21 -0.28 0.00 0.02 0.00 0.00 55.97 57.51 3g3f s LYS 21 Cb -0.42 -3.28 0.09 0.00 -0.52 0.00 0.00 37.83 33.70 3g3f s LYS 21 CO 0.54 0.51 0.92 -1.54 -0.92 0.00 0.00 175.35 174.86 3g3f s SER 22 N -0.95 -0.30 -0.17 2.83 1.04 -1.26 -5.06 113.70 109.82 3g3f s SER 22 Ca 0.37 -0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.47 3g3f s SER 22 Cb -0.23 0.41 -0.18 0.00 0.10 0.00 0.00 66.02 66.11 3g3f s SER 22 CO 0.27 -0.69 0.31 0.44 0.98 0.00 0.00 173.24 174.55 3g3f h ASP 23 N 2.00 0.00 -4.04 7.02 3.32 -2.07 -3.46 116.42 119.20 3g3f h ASP 23 Ca -0.23 -0.55 -0.52 0.00 0.02 0.00 0.00 57.03 55.75 3g3f h ASP 23 Cb 1.24 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.88 3g3f h ASP 23 CO 0.29 1.20 0.51 -0.54 -1.72 0.00 0.00 179.24 178.98 3g3f s LYS 24 N -2.25 3.43 0.46 3.56 1.02 -1.26 -4.95 119.74 119.74 3g3f s LYS 24 Ca -0.22 1.88 -0.24 0.00 0.02 0.00 0.00 55.97 57.41 3g3f s LYS 24 Cb 0.03 -2.25 -0.07 0.00 -0.52 0.00 0.00 37.83 35.02 3g3f s LYS 24 CO 0.54 -0.85 1.28 -1.25 -0.92 0.00 0.00 175.35 174.14 3g3f s PRO 25 N -2.91 3.67 0.12 -1.68 0.04 -1.26 -5.03 135.00 127.94 3g3f s PRO 25 Ca 0.69 2.08 0.06 0.00 0.04 0.00 0.00 61.00 63.86 3g3f s PRO 25 Cb -0.31 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3g3f s PRO 25 CO 0.37 -0.71 -0.00 -0.51 0.04 0.00 0.00 177.00 176.18 3g3f s LEU 26 N -2.91 3.40 0.04 -3.56 1.43 -1.26 -5.13 118.68 110.69 3g3f s LEU 26 Ca 0.63 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 3g3f s LEU 26 Cb -0.36 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 3g3f s LEU 26 CO 0.45 0.14 -0.15 -0.31 0.23 0.00 0.00 176.35 176.71 3g3f s TYR 27 N -1.46 1.26 0.00 0.29 2.02 -1.26 -4.79 117.35 113.41 3g3f s TYR 27 Ca 0.26 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 3g3f s TYR 27 Cb -0.11 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 3g3f s TYR 27 CO 0.18 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.62 3g3f n GLY 28 N 1.82 2.26 0.29 0.71 0.00 -1.26 -2.36 105.19 106.65 3g3f n GLY 28 Ca -0.18 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 9.64 0.00 0.29 1.61 2.35 -1.93 -2.31 115.58 125.23 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 0.06 0.00 -0.67 -1.65 0.00 0.00 177.43 175.17 3g3f n ASP 30 N -3.38 0.04 0.21 5.81 2.03 -1.00 -2.32 116.55 117.94 3g3f n ASP 30 Ca -0.02 0.51 0.14 0.00 0.52 0.00 0.00 54.79 55.95 3g3f n ASP 30 Cb 0.21 -0.52 0.44 0.00 -0.72 0.00 0.00 41.12 40.53 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 -6.56 -0.67 3.08 -1.52 -3.45 114.38 105.26 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 0.15 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.04 3g3f h ARG 31 CO 0.00 0.00 -0.74 -0.06 -1.07 0.00 0.00 179.97 178.10 3g3f s PHE 32 N -3.37 2.72 0.24 3.04 0.08 -0.98 -1.07 117.98 118.64 3g3f s PHE 32 Ca 0.05 -0.17 -0.08 0.00 0.12 0.00 0.00 56.93 56.85 3g3f s PHE 32 Cb 0.08 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3g3f s PHE 32 CO 0.57 0.43 0.38 -1.83 -0.10 0.00 0.00 175.22 174.67 3g3f s GLU 33 N -2.26 1.49 0.00 0.44 -1.05 -0.09 -4.79 118.70 112.44 3g3f s GLU 33 Ca 0.21 -1.42 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 3g3f s GLU 33 Cb -0.11 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3g3f s GLU 33 CO 0.14 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.17 3g3f n GLY 34 N -0.37 1.62 0.24 -3.83 0.00 -1.26 -0.60 105.19 100.99 3g3f n GLY 34 Ca -0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.03 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 0.60 0.00 1.61 3.20 -0.85 0.01 116.97 121.55 3g3f h TYR 35 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3g3f h TYR 35 Cb 0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3g3f h TYR 35 CO 0.00 0.28 -0.42 0.00 -1.64 0.00 0.00 178.16 176.37 3g3f h ILE 37 N 0.00 1.30 -0.57 0.00 1.08 -1.43 -0.62 117.51 117.28 3g3f h ILE 37 Ca -0.00 -1.56 -0.06 0.00 -0.39 0.00 0.00 64.86 62.84 3g3f h ILE 37 Cb 0.95 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 36.31 3g3f h ILE 37 CO 0.06 0.50 0.11 0.44 -0.69 0.00 0.00 178.15 178.57 3g3f h ASP 38 N 0.49 0.85 -0.17 1.72 3.32 -0.69 -1.23 116.42 120.71 3g3f h ASP 38 Ca 0.03 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3g3f h ASP 38 Cb 0.97 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3g3f h ASP 38 CO 0.09 0.85 0.11 0.25 -1.72 0.00 0.00 179.24 178.81 3g3f h LEU 39 N 0.86 0.18 -0.69 1.55 5.85 -0.83 -1.13 115.31 121.11 3g3f h LEU 39 Ca 0.18 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3g3f h LEU 39 Cb 0.35 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3g3f h LEU 39 CO 0.00 0.13 0.45 0.25 -0.34 0.00 0.00 178.44 178.93 3g3f h LEU 40 N 0.22 0.76 -0.49 2.25 5.85 -0.85 0.63 115.31 123.68 3g3f h LEU 40 Ca 0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3g3f h LEU 40 Cb -0.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3g3f h LEU 40 CO -0.02 0.54 0.32 0.03 -0.34 0.00 0.00 178.44 178.97 3g3f h ARG 41 N 0.90 0.63 -0.50 1.25 3.08 -0.89 -0.56 114.38 118.29 3g3f h ARG 41 Ca 0.26 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3g3f h ARG 41 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3g3f h ARG 41 CO -0.07 0.42 0.14 0.93 -1.07 0.00 0.00 179.97 180.32 3g3f h GLU 42 N 0.65 0.78 -0.92 0.04 4.39 -0.49 -2.29 114.58 116.74 3g3f h GLU 42 Ca 0.18 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3g3f h GLU 42 Cb -0.06 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 3g3f h GLU 42 CO -0.05 0.74 0.61 -0.07 -1.16 0.00 0.00 179.01 179.09 3g3f h LEU 43 N 0.68 1.05 -1.08 1.33 3.38 -0.59 -1.39 115.31 118.69 3g3f h LEU 43 Ca 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3g3f h LEU 43 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3g3f h LEU 43 CO -0.00 0.75 -0.00 0.77 0.09 0.00 0.00 178.44 180.05 3g3f h SER 44 N 1.24 0.61 -0.09 -0.43 4.64 -0.75 -0.34 113.55 118.42 3g3f h SER 44 Ca 0.34 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 3g3f h SER 44 Cb -0.13 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 61.81 3g3f h SER 44 CO -0.08 0.68 -0.43 0.74 -0.87 0.00 0.00 176.83 176.87 3g3f h THR 45 N 0.61 1.39 -0.50 2.95 2.02 -1.10 0.14 112.91 118.42 3g3f h THR 45 Ca 0.12 -1.80 -0.04 0.00 0.77 0.00 0.00 66.41 65.47 3g3f h THR 45 Cb 0.39 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 3g3f h THR 45 CO 0.01 0.53 0.17 0.40 0.37 0.00 0.00 175.52 177.00 3g3f h ILE 46 N -0.00 1.22 0.00 3.11 2.04 -1.01 -3.26 117.51 119.61 3g3f h ILE 46 Ca -0.03 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3g3f h ILE 46 Cb 1.08 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3g3f h ILE 46 CO 0.09 0.27 -0.96 0.18 0.00 0.00 0.00 178.15 177.73 3g3f n LEU 47 N -4.52 0.68 -2.29 1.44 4.77 -0.16 -5.00 117.00 111.92 3g3f n LEU 47 Ca 0.02 -0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 3g3f n LEU 47 Cb 0.18 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3g3f n LEU 47 CO 0.39 0.13 0.03 0.61 -1.33 0.00 0.00 177.39 177.21 3g3f n GLY 48 N 1.43 -0.05 3.29 -0.72 0.00 0.41 -5.05 105.19 104.50 3g3f n GLY 48 Ca 0.03 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 1.48 0.33 1.61 -0.12 -0.82 -5.05 117.98 112.22 3g3f s PHE 49 Ca 0.15 -0.63 0.07 0.00 -0.05 0.00 0.00 56.93 56.47 3g3f s PHE 49 Cb -0.02 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 41.62 3g3f s PHE 49 CO 0.36 0.21 0.29 0.95 -0.05 0.00 0.00 175.22 176.98 3g3f s THR 50 N -2.88 3.61 0.11 -4.49 -4.23 -1.26 -4.69 115.64 101.80 3g3f s THR 50 Ca 0.17 -1.37 -0.17 0.00 -1.18 0.00 0.00 61.69 59.14 3g3f s THR 50 Cb -0.01 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.67 3g3f s THR 50 CO 0.04 -0.19 0.43 -0.72 -0.54 0.00 0.00 174.62 173.64 3g3f s TYR 51 N -2.29 -0.25 -0.09 3.99 -0.85 -1.26 -0.92 117.35 115.68 3g3f s TYR 51 Ca 0.40 0.00 -0.00 0.00 -0.52 0.00 0.00 57.07 56.95 3g3f s TYR 51 Cb -0.06 0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.59 3g3f s TYR 51 CO 0.26 -0.69 -0.05 -1.21 -1.52 0.00 0.00 175.55 172.34 3g3f s GLU 52 N -3.54 1.15 0.01 -3.49 0.41 0.03 -4.85 118.70 108.42 3g3f s GLU 52 Ca 0.01 -0.13 -0.30 0.00 -0.41 0.00 0.00 54.97 54.15 3g3f s GLU 52 Cb 0.01 -1.29 -0.03 0.00 -1.78 0.00 0.00 34.13 31.04 3g3f s GLU 52 CO -0.10 -0.24 0.96 0.42 -0.49 0.00 0.00 175.26 175.81 3g3f s ILE 53 N 1.63 4.84 -0.05 -1.63 1.01 -1.26 -1.30 121.20 124.45 3g3f s ILE 53 Ca 0.02 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.69 3g3f s ILE 53 Cb -0.13 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.07 3g3f s ILE 53 CO -0.05 0.18 -0.03 -0.13 0.00 0.00 0.00 174.94 174.91 3g3f s ARG 54 N 0.88 0.68 0.28 2.79 0.52 0.11 -4.86 118.95 119.36 3g3f s ARG 54 Ca 0.50 -0.03 -0.29 0.00 -0.52 0.00 0.00 55.73 55.39 3g3f s ARG 54 Cb -0.21 -0.80 -0.10 0.00 0.52 0.00 0.00 34.95 34.36 3g3f s ARG 54 CO 0.27 -0.14 1.32 -0.51 0.02 0.00 0.00 175.30 176.26 3g3f s LEU 55 N 1.16 4.43 0.20 2.53 1.43 -1.26 -2.16 118.68 125.00 3g3f s LEU 55 Ca -0.07 2.59 -0.32 0.00 -1.03 0.00 0.00 54.13 55.30 3g3f s LEU 55 Cb -0.14 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.33 3g3f s LEU 55 CO -0.01 -0.53 1.68 0.54 0.23 0.00 0.00 176.35 178.25 3g3f s VAL 56 N -0.65 2.17 0.28 -1.59 0.11 0.11 -4.85 120.40 115.98 3g3f s VAL 56 Ca 0.52 0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.72 3g3f s VAL 56 Cb -0.39 -3.08 0.06 0.00 -1.53 0.00 0.00 36.38 31.44 3g3f s VAL 56 CO 0.47 0.01 1.72 -0.33 -3.33 0.00 0.00 175.10 173.64 3g3f h GLU 57 N 6.72 0.45 -0.01 1.54 5.08 -1.92 -2.27 114.58 124.17 3g3f h GLU 57 Ca -0.43 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 3g3f h GLU 57 Cb 1.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3g3f h GLU 57 CO 0.94 0.69 -0.08 -0.40 -1.00 0.00 0.00 179.01 179.16 3g3f n ASP 58 N -4.11 0.68 -0.82 1.42 5.68 -1.26 -4.93 116.55 113.21 3g3f n ASP 58 Ca -0.01 -0.91 -0.10 0.00 -0.50 0.00 0.00 54.79 53.28 3g3f n ASP 58 Cb 0.42 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.34 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 1.21 0.89 3.42 6.12 0.00 -0.86 -4.98 105.19 111.00 3g3f n GLY 59 Ca 0.17 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.16 1.50 -0.08 1.61 1.02 -1.26 -5.01 119.74 114.36 3g3f s LYS 60 Ca 0.00 -1.50 -0.12 0.00 0.02 0.00 0.00 55.97 54.37 3g3f s LYS 60 Cb 0.00 -1.85 -0.08 0.00 -0.52 0.00 0.00 37.83 35.37 3g3f s LYS 60 CO 0.00 0.41 0.43 1.88 -0.92 0.00 0.00 175.35 177.14 3g3f h TYR 61 N 3.30 -0.17 0.00 3.18 0.05 -1.88 -2.22 116.97 119.23 3g3f h TYR 61 Ca -0.47 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3g3f h TYR 61 Cb 1.20 0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.00 3g3f h TYR 61 CO 0.68 0.08 0.00 0.41 -1.05 0.00 0.00 178.16 178.28 3g3f n GLY 62 N 1.16 3.82 3.29 3.88 0.00 -0.46 -1.41 105.19 115.47 3g3f n GLY 62 Ca -0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 0.18 -0.16 4.61 0.00 -1.23 -4.61 121.76 120.55 3g3f s ALA 63 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 3g3f s ALA 63 Cb 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 3g3f s ALA 63 CO 0.00 -0.61 0.16 -1.14 0.00 0.00 0.00 175.76 174.18 3g3f s GLN 64 N -3.98 3.96 0.10 0.00 0.74 -1.26 -2.13 119.66 117.08 3g3f s GLN 64 Ca 0.18 -0.13 -0.31 0.00 0.05 0.00 0.00 55.36 55.15 3g3f s GLN 64 Cb 0.04 -3.34 -0.08 0.00 1.10 0.00 0.00 33.01 30.73 3g3f s GLN 64 CO -0.00 0.45 1.39 0.34 -0.55 0.00 0.00 175.29 176.93 3g3f s ASP 65 N -0.11 6.83 0.35 6.67 -1.08 0.43 -4.92 116.67 124.84 3g3f s ASP 65 Ca 0.12 2.30 0.17 0.00 -0.52 0.00 0.00 52.55 54.63 3g3f s ASP 65 Cb -0.12 -2.58 0.60 0.00 -1.46 0.00 0.00 42.92 39.36 3g3f s ASP 65 CO 0.01 -0.66 1.70 -2.24 0.52 0.00 0.00 175.17 174.50 3g3f h ASP 66 N 6.94 0.00 0.12 -0.34 2.03 -1.96 0.42 116.42 123.63 3g3f h ASP 66 Ca -0.42 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.52 3g3f h ASP 66 Cb 1.21 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.66 3g3f h ASP 66 CO 0.87 0.42 -2.16 1.33 -1.03 0.00 0.00 179.24 178.67 3g3f n VAL 67 N -3.55 1.62 0.50 4.15 0.24 -1.26 -4.59 118.33 115.43 3g3f n VAL 67 Ca -0.00 -0.67 0.05 0.00 -2.04 0.00 0.00 64.34 61.68 3g3f n VAL 67 Cb 0.54 -1.39 -0.04 0.00 -1.47 0.00 0.00 33.84 31.47 3g3f n VAL 67 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3g3f n ASN 68 N -3.27 0.73 -0.04 -1.34 0.23 -1.24 -5.01 115.26 105.32 3g3f n ASN 68 Ca -0.35 -0.87 -0.01 0.00 -0.53 0.00 0.00 54.58 52.83 3g3f n ASN 68 Cb 1.04 0.85 -0.00 0.00 -2.08 0.00 0.00 39.78 39.59 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 1.16 0.45 3.87 4.83 0.00 0.14 -4.99 105.19 110.64 3g3f n GLY 69 Ca 0.03 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.65 3.78 0.51 1.61 -0.21 -1.26 -4.67 119.66 118.78 3g3f s GLN 70 Ca 0.00 0.21 -0.05 0.00 0.02 0.00 0.00 55.36 55.53 3g3f s GLN 70 Cb 0.00 -2.93 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 3g3f s GLN 70 CO 0.00 0.51 0.82 -1.58 -2.12 0.00 0.00 175.29 172.92 3g3f s TRP 71 N -1.48 3.45 0.04 0.91 0.52 -1.26 -0.43 118.94 120.69 3g3f s TRP 71 Ca 0.36 0.74 0.00 0.00 0.02 0.00 0.00 56.10 57.22 3g3f s TRP 71 Cb -0.14 -2.44 -0.00 0.00 -1.15 0.00 0.00 33.47 29.75 3g3f s TRP 71 CO 0.19 -0.45 0.01 0.27 0.02 0.00 0.00 176.95 176.99 3g3f n ASN 72 N -2.36 1.15 0.00 2.95 0.23 -0.91 -4.71 115.26 111.62 3g3f n ASN 72 Ca 0.02 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 3g3f n ASN 72 Cb 0.56 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.35 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 2.42 0.14 0.26 4.83 0.00 -1.26 -2.14 105.19 109.44 3g3f n GLY 73 Ca -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 45.07 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 0.40 -0.34 1.61 2.86 -0.58 -2.12 114.93 116.76 3g3f h MET 74 Ca 0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3g3f h MET 74 Cb 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3g3f h MET 74 CO 0.00 0.47 0.21 0.28 1.06 0.00 0.00 176.91 178.93 3g3f h VAL 75 N 0.38 1.11 -0.69 -2.22 2.07 -1.55 -2.09 116.25 113.26 3g3f h VAL 75 Ca 0.08 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3g3f h VAL 75 Cb 0.34 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3g3f h VAL 75 CO 0.01 0.11 0.26 -0.09 0.02 0.00 0.00 177.57 177.89 3g3f h ARG 76 N 0.45 1.03 -0.90 1.57 9.65 -0.98 -0.66 114.38 124.54 3g3f h ARG 76 Ca 0.12 -0.18 0.05 0.00 -1.10 0.00 0.00 59.98 58.87 3g3f h ARG 76 Cb -0.01 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.35 3g3f h ARG 76 CO -0.02 0.85 0.59 0.93 2.80 0.00 0.00 179.97 185.11 3g3f h GLU 77 N 1.00 1.05 -0.03 0.20 4.39 -0.93 -1.44 114.58 118.83 3g3f h GLU 77 Ca 0.23 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 3g3f h GLU 77 Cb 0.21 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3g3f h GLU 77 CO -0.02 0.70 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.40 3g3f h LEU 78 N 1.08 0.10 -0.93 1.33 3.38 -0.85 -0.22 115.31 119.21 3g3f h LEU 78 Ca 0.37 -0.57 0.19 0.00 0.09 0.00 0.00 57.88 57.96 3g3f h LEU 78 Cb 0.10 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 3g3f h LEU 78 CO -0.13 0.65 0.50 0.40 0.09 0.00 0.00 178.44 179.96 3g3f h ILE 79 N -0.44 0.65 -0.14 1.22 2.04 -0.82 -1.20 117.51 118.82 3g3f h ILE 79 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3g3f h ILE 79 Cb 0.63 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3g3f h ILE 79 CO 0.01 0.11 0.00 0.47 0.00 0.00 0.00 178.15 178.75 3g3f n ASP 80 N -4.87 1.38 -2.87 1.72 8.00 -0.57 -4.91 116.55 114.43 3g3f n ASP 80 Ca 0.21 -1.67 -0.21 0.00 0.71 0.00 0.00 54.79 53.83 3g3f n ASP 80 Cb 0.56 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.13 -1.67 0.74 1.24 8.25 -0.45 -4.88 115.22 118.59 3g3f n HIS 81 Ca 0.16 0.34 0.12 0.00 -0.26 0.00 0.00 57.72 58.08 3g3f n HIS 81 Cb 0.28 -4.02 0.22 0.00 1.12 0.00 0.00 29.99 27.59 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 -3.65 0.17 -4.09 -0.41 5.02 -0.12 -4.85 118.16 110.24 3g3f n LYS 82 Ca -0.14 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.07 3g3f n LYS 82 Cb 0.63 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 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 -3.10 0.70 -0.02 7.82 0.00 -1.16 -4.96 121.76 121.04 3g3f s ALA 83 Ca 0.08 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3g3f s ALA 83 Cb 0.15 0.03 -0.26 0.00 0.00 0.00 0.00 23.12 23.04 3g3f s ALA 83 CO 0.71 0.00 0.77 -0.44 0.00 0.00 0.00 175.76 176.80 3g3f h ASP 84 N 4.38 0.28 -4.73 0.00 3.32 -1.16 -3.43 116.42 115.09 3g3f h ASP 84 Ca -0.37 -0.44 -0.18 0.00 0.02 0.00 0.00 57.03 56.06 3g3f h ASP 84 Cb 1.20 -0.09 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 3g3f h ASP 84 CO 0.42 1.38 -0.70 -0.76 -1.72 0.00 0.00 179.24 177.86 3g3f s LEU 85 N -6.77 2.16 -0.27 1.55 1.43 -1.00 -4.24 118.68 111.55 3g3f s LEU 85 Ca -0.09 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3g3f s LEU 85 Cb 0.07 0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.42 3g3f s LEU 85 CO 0.83 -0.24 0.01 0.00 0.23 0.00 0.00 176.35 177.17 3g3f s ALA 86 N -1.17 2.87 -0.32 4.21 0.00 0.27 -0.96 121.76 126.66 3g3f s ALA 86 Ca -0.13 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.36 3g3f s ALA 86 Cb -0.08 -1.91 0.08 0.00 0.00 0.00 0.00 23.12 21.21 3g3f s ALA 86 CO -0.01 -0.90 0.02 0.08 0.00 0.00 0.00 175.76 174.95 3g3f s VAL 87 N 1.40 2.58 0.06 0.00 1.01 -0.78 -1.44 120.40 123.22 3g3f s VAL 87 Ca 0.01 -1.89 -0.28 0.00 0.00 0.00 0.00 61.98 59.82 3g3f s VAL 87 Cb -0.17 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.62 3g3f s VAL 87 CO -0.01 -0.35 1.12 0.00 0.00 0.00 0.00 175.10 175.86 3g3f s ALA 88 N 1.07 -1.95 -1.13 5.51 0.00 -1.26 -4.59 121.76 119.42 3g3f s ALA 88 Ca 0.02 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 3g3f s ALA 88 Cb -0.20 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 3g3f s ALA 88 CO -0.05 -1.04 2.08 -0.35 0.00 0.00 0.00 175.76 176.41 3g3f n PRO 89 N -0.47 2.21 -3.53 0.00 -0.04 -1.26 -4.75 135.00 127.15 3g3f n PRO 89 Ca -0.07 -2.24 -0.41 0.00 -0.04 0.00 0.00 63.50 60.74 3g3f n PRO 89 Cb 0.62 -3.11 -0.11 0.00 -0.04 0.00 0.00 33.50 30.86 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 1.73 4.73 0.24 1.53 2.96 -1.26 -5.03 118.68 123.58 3g3f s LEU 90 Ca 0.52 -0.73 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 3g3f s LEU 90 Cb 0.14 -2.10 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 3g3f s LEU 90 CO 0.01 -0.34 1.28 0.00 -1.32 0.00 0.00 176.35 175.98 3g3f s ALA 91 N 1.66 3.50 -0.33 5.97 0.00 -1.26 -2.04 121.76 129.26 3g3f s ALA 91 Ca 0.05 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 3g3f s ALA 91 Cb -0.18 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.49 3g3f s ALA 91 CO 0.09 -0.52 1.00 0.42 0.00 0.00 0.00 175.76 176.75 3g3f s ILE 92 N -0.36 4.56 0.13 0.00 1.01 -0.05 -4.89 121.20 121.60 3g3f s ILE 92 Ca 0.53 1.51 0.04 0.00 0.00 0.00 0.00 60.65 62.74 3g3f s ILE 92 Cb -0.37 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 3g3f s ILE 92 CO 0.42 -0.47 -0.10 0.42 0.00 0.00 0.00 174.94 175.21 3g3f s THR 93 N 3.52 1.11 0.16 2.92 -4.23 -1.26 -4.53 115.64 113.34 3g3f s THR 93 Ca 0.42 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.82 3g3f s THR 93 Cb -0.12 -1.68 0.07 0.00 1.34 0.00 0.00 72.50 72.11 3g3f s THR 93 CO 0.16 -0.66 1.63 0.22 -0.54 0.00 0.00 174.62 175.43 3g3f h TYR 94 N 3.08 -0.57 -0.31 3.99 3.20 -1.99 -0.63 116.97 123.75 3g3f h TYR 94 Ca -0.37 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.43 3g3f h TYR 94 Cb 1.19 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 3g3f h TYR 94 CO 0.64 -0.30 -0.27 -0.39 -1.64 0.00 0.00 178.16 176.21 3g3f h VAL 95 N -0.17 1.27 -0.08 1.81 -1.51 -2.00 -2.99 116.25 112.59 3g3f h VAL 95 Ca 0.17 -1.36 -0.18 0.00 -1.23 0.00 0.00 66.70 64.10 3g3f h VAL 95 Cb 0.44 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3g3f h VAL 95 CO -0.45 0.44 -0.73 0.03 -1.23 0.00 0.00 177.57 175.63 3g3f h ARG 96 N 0.54 0.40 0.00 5.19 3.08 -1.86 -3.21 114.38 118.52 3g3f h ARG 96 Ca 0.07 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 3g3f h ARG 96 Cb 0.74 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3g3f h ARG 96 CO 0.06 0.97 -0.02 1.49 -1.07 0.00 0.00 179.97 181.40 3g3f h GLU 97 N 0.28 0.00 0.00 0.04 4.57 -0.98 -0.15 114.58 118.33 3g3f h GLU 97 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3g3f h GLU 97 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3g3f h GLU 97 CO 0.12 0.02 0.00 0.87 -1.18 0.00 0.00 179.01 178.84 3g3f h LYS 98 N 0.00 0.00 0.00 1.92 1.57 -1.53 -3.38 116.57 115.16 3g3f h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g3f h LYS 98 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3g3f h LYS 98 CO 0.00 0.00 -0.92 1.33 -0.57 0.00 0.00 179.45 179.29 3g3f n VAL 99 N -2.60 0.00 -4.39 0.50 0.24 -0.25 -5.07 118.33 106.77 3g3f n VAL 99 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.13 3g3f n VAL 99 Cb 0.28 -0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.89 0.86 0.15 1.34 -4.36 -0.23 -4.32 121.20 112.74 3g3f s ILE 100 Ca 0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 3g3f s ILE 100 Cb 0.00 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 3g3f s ILE 100 CO 0.00 0.00 0.09 -1.81 0.24 0.00 0.00 174.94 173.46 3g3f s ASP 101 N -3.40 5.32 0.01 4.36 1.01 -0.19 -4.28 116.67 119.49 3g3f s ASP 101 Ca 0.37 -0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.50 3g3f s ASP 101 Cb 0.08 -1.34 -0.01 0.00 1.01 0.00 0.00 42.92 42.66 3g3f s ASP 101 CO 0.15 0.10 -0.13 -0.36 0.21 0.00 0.00 175.17 175.14 3g3f s PHE 102 N -1.64 1.11 1.05 4.23 0.08 -1.26 -0.81 117.98 120.73 3g3f s PHE 102 Ca 0.29 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.97 3g3f s PHE 102 Cb -0.10 -0.70 0.22 0.00 -0.57 0.00 0.00 43.02 41.87 3g3f s PHE 102 CO 0.22 -0.00 1.08 -1.54 -0.10 0.00 0.00 175.22 174.88 3g3f s SER 103 N -0.57 1.86 0.91 1.36 1.04 -0.07 -4.95 113.70 113.28 3g3f s SER 103 Ca 0.03 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.20 3g3f s SER 103 Cb -0.06 -2.44 0.14 0.00 0.10 0.00 0.00 66.02 63.77 3g3f s SER 103 CO 0.00 -3.70 1.13 -0.54 0.98 0.00 0.00 173.24 171.11 3g3f s LYS 104 N -4.55 1.07 0.37 4.02 1.02 -1.26 -4.49 119.74 115.93 3g3f s LYS 104 Ca 0.68 1.44 -0.26 0.00 0.02 0.00 0.00 55.97 57.85 3g3f s LYS 104 Cb -0.24 -1.74 -0.09 0.00 -0.52 0.00 0.00 37.83 35.24 3g3f s LYS 104 CO 0.62 -2.56 1.10 -2.14 -0.92 0.00 0.00 175.35 171.45 3g3f s PRO 105 N -4.68 4.24 0.02 -1.68 0.01 -1.26 -4.62 135.00 127.03 3g3f s PRO 105 Ca 0.66 1.70 0.23 0.00 0.01 0.00 0.00 61.00 63.60 3g3f s PRO 105 Cb -0.22 -2.74 0.12 0.00 0.01 0.00 0.00 34.50 31.67 3g3f s PRO 105 CO 0.58 -0.12 1.12 1.97 0.01 0.00 0.00 177.00 180.56 3g3f n PHE 106 N 0.28 0.10 -3.71 6.54 1.16 -0.17 -4.95 117.46 116.71 3g3f n PHE 106 Ca 0.03 0.03 -0.14 0.00 -1.87 0.00 0.00 57.45 55.50 3g3f n PHE 106 Cb 0.47 -0.25 -0.09 0.00 -1.61 0.00 0.00 39.48 38.00 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 0.59 0.08 3.97 0.00 -1.25 -5.02 119.30 114.59 3g3f s MET 107 Ca 0.07 0.45 0.07 0.00 0.00 0.00 0.00 55.69 56.29 3g3f s MET 107 Cb 0.16 0.28 -0.04 0.00 0.00 0.00 0.00 34.83 35.23 3g3f s MET 107 CO 0.79 -0.10 -0.13 0.95 0.00 0.00 0.00 175.02 176.53 3g3f s THR 108 N -0.14 3.19 0.16 10.11 -4.23 -1.26 -1.26 115.64 122.21 3g3f s THR 108 Ca -0.03 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 3g3f s THR 108 Cb -0.03 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.41 3g3f s THR 108 CO 0.02 0.20 0.55 0.00 -0.54 0.00 0.00 174.62 174.85 3g3f n LEU 109 N 1.02 0.00 -3.68 4.79 -0.00 0.07 -4.88 117.00 114.32 3g3f n LEU 109 Ca -0.15 -1.13 -0.09 0.00 -0.00 0.00 0.00 56.01 54.64 3g3f n LEU 109 Cb 0.52 1.90 -0.02 0.00 -0.00 0.00 0.00 43.42 45.82 3g3f n LEU 109 CO 0.31 -0.38 0.43 -0.83 -0.00 0.00 0.00 177.39 176.92 3g3f s GLY 110 N -2.56 -0.30 0.24 1.47 0.00 -1.26 -1.12 107.32 103.80 3g3f s GLY 110 Ca 0.12 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.55 3g3f s GLY 110 CO 0.05 -0.00 1.31 -0.42 0.00 0.00 0.00 173.10 174.04 3g3f s ILE 111 N -3.85 3.03 0.00 0.90 1.01 -1.26 -0.32 121.20 120.71 3g3f s ILE 111 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.62 3g3f s ILE 111 Cb -0.04 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3g3f s ILE 111 CO -0.01 0.16 0.00 -0.24 0.00 0.00 0.00 174.94 174.85 3g3f n SER 112 N 2.06 0.00 -4.21 3.58 2.88 0.10 -0.31 113.62 117.73 3g3f n SER 112 Ca 0.04 -0.65 -0.31 0.00 -1.33 0.00 0.00 58.87 56.62 3g3f n SER 112 Cb 0.42 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 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 -1.99 2.00 -0.19 2.46 1.01 -1.25 -1.34 121.20 121.90 3g3f s ILE 113 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 3g3f s ILE 113 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3g3f s ILE 113 CO 0.00 0.55 0.07 -0.22 0.00 0.00 0.00 174.94 175.34 3g3f s LEU 114 N 0.29 3.80 0.34 2.97 2.96 0.32 -0.69 118.68 128.68 3g3f s LEU 114 Ca -0.17 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 3g3f s LEU 114 Cb -0.17 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.57 3g3f s LEU 114 CO 0.08 0.15 0.63 -0.47 -1.32 0.00 0.00 176.35 175.42 3g3f s TYR 115 N 0.53 0.44 0.71 5.38 5.04 -0.63 -1.21 117.35 127.61 3g3f s TYR 115 Ca 0.04 -0.90 -0.13 0.00 -2.44 0.00 0.00 57.07 53.64 3g3f s TYR 115 Cb -0.13 0.43 0.02 0.00 0.35 0.00 0.00 41.96 42.63 3g3f s TYR 115 CO 0.01 -1.31 1.09 -0.98 -1.34 0.00 0.00 175.55 173.02 3g3f s ARG 116 N -2.97 2.61 0.69 4.97 1.70 -1.26 -1.07 118.95 123.61 3g3f s ARG 116 Ca 0.21 1.22 -0.11 0.00 -0.47 0.00 0.00 55.73 56.58 3g3f s ARG 116 Cb -0.03 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.42 3g3f s ARG 116 CO 0.14 -1.38 1.06 0.15 -1.08 0.00 0.00 175.30 174.19 3g3f s LYS 117 N -4.57 3.00 0.00 3.89 1.02 -0.94 -4.53 119.74 117.61 3g3f s LYS 117 Ca 0.63 0.80 0.00 0.00 0.02 0.00 0.00 55.97 57.42 3g3f s LYS 117 Cb -0.18 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3g3f s LYS 117 CO 0.49 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 3g3f n GLY 118 N -2.32 0.69 3.78 -3.33 0.00 -1.26 -5.07 105.19 97.67 3g3f n GLY 118 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3g3f n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g3f s THR 119 N -2.25 3.38 -2.02 2.61 -4.23 -1.26 -5.02 115.64 106.84 3g3f s THR 119 Ca 0.00 -1.57 0.19 0.00 -1.18 0.00 0.00 61.69 59.13 3g3f s THR 119 Cb 0.00 -3.08 0.53 0.00 1.34 0.00 0.00 72.50 71.29 3g3f s THR 119 CO 0.00 -0.21 1.72 -0.81 -0.54 0.00 0.00 174.62 174.77 3g3f n PRO 120 N -1.21 1.06 -2.26 3.99 -0.05 -1.26 -4.85 135.00 130.42 3g3f n PRO 120 Ca -0.03 -0.09 -0.42 0.00 -0.05 0.00 0.00 63.50 62.91 3g3f n PRO 120 Cb 0.60 -1.30 -0.03 0.00 -0.05 0.00 0.00 33.50 32.72 3g3f n PRO 120 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3g3f s ILE 121 N -1.98 3.78 0.00 0.52 -1.09 -1.26 -4.88 121.20 116.29 3g3f s ILE 121 Ca 0.29 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 3g3f s ILE 121 Cb 0.13 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 3g3f s ILE 121 CO 0.22 0.00 0.15 -0.67 -1.23 0.00 0.00 174.94 173.41 3g3f n ASP 122 N 5.30 0.30 -3.66 3.58 2.03 -1.26 -4.87 116.55 117.96 3g3f n ASP 122 Ca 0.13 -0.66 -0.08 0.00 0.52 0.00 0.00 54.79 54.70 3g3f n ASP 122 Cb 0.44 0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.28 -0.34 0.28 1.67 1.04 -1.26 -3.24 113.70 111.56 3g3f s SER 123 Ca 0.00 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 3g3f s SER 123 Cb 0.00 0.59 0.44 0.00 0.10 0.00 0.00 66.02 67.14 3g3f s SER 123 CO 0.00 -1.04 1.90 0.00 0.98 0.00 0.00 173.24 175.08 3g3f h ALA 124 N 2.00 1.43 -0.93 5.32 0.00 -1.97 -2.18 119.26 122.92 3g3f h ALA 124 Ca -0.25 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.73 3g3f h ALA 124 Cb 1.26 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3g3f h ALA 124 CO 0.29 0.44 0.58 0.22 0.00 0.00 0.00 179.25 180.77 3g3f h ASP 125 N 1.15 0.88 -0.58 0.00 3.58 -1.95 0.12 116.42 119.61 3g3f h ASP 125 Ca 0.41 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.88 3g3f h ASP 125 Cb 0.15 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3g3f h ASP 125 CO -0.16 0.51 0.30 0.44 -2.88 0.00 0.00 179.24 177.45 3g3f h ASP 126 N 0.98 0.77 -0.33 2.28 3.32 -1.79 -2.55 116.42 119.10 3g3f h ASP 126 Ca 0.44 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.29 3g3f h ASP 126 Cb 0.32 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3g3f h ASP 126 CO -0.22 0.65 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.62 3g3f h LEU 127 N 0.86 0.80 -1.51 1.55 3.38 -0.95 -3.31 115.31 116.13 3g3f h LEU 127 Ca 0.21 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3g3f h LEU 127 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3g3f h LEU 127 CO -0.03 1.08 -0.04 0.00 0.09 0.00 0.00 178.44 179.54 3g3f h ALA 128 N 0.75 1.60 -0.18 1.53 0.00 -0.57 -2.61 119.26 119.78 3g3f h ALA 128 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g3f h ALA 128 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3g3f h ALA 128 CO 0.07 0.29 0.00 0.36 0.00 0.00 0.00 179.25 179.97 3g3f n LYS 129 N -4.35 1.45 -4.18 0.00 2.85 -0.98 -4.86 118.16 108.09 3g3f n LYS 129 Ca -0.00 -0.69 -0.13 0.00 -1.05 0.00 0.00 58.31 56.44 3g3f n LYS 129 Cb 0.21 -1.19 -0.09 0.00 -0.65 0.00 0.00 35.03 33.31 3g3f n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3g3f s GLN 130 N -1.76 1.35 0.00 -1.58 1.03 -0.98 -5.07 119.66 112.64 3g3f s GLN 130 Ca 0.17 -1.63 0.00 0.00 0.04 0.00 0.00 55.36 53.93 3g3f s GLN 130 Cb 0.09 0.31 0.00 0.00 0.03 0.00 0.00 33.01 33.44 3g3f s GLN 130 CO 0.12 -0.48 0.14 0.25 -2.54 0.00 0.00 175.29 172.79 3g3f n THR 131 N -0.34 0.00 -0.15 3.63 -2.24 -1.26 -4.84 114.28 109.07 3g3f n THR 131 Ca 0.02 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 3g3f n THR 131 Cb 0.65 1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 70.32 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 0.93 -5.56 -0.78 3.64 -1.97 -3.37 116.57 109.46 3g3f h LYS 132 Ca 0.00 -0.39 -0.63 0.00 -1.27 0.00 0.00 60.65 58.36 3g3f h LYS 132 Cb 0.23 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.88 3g3f h LYS 132 CO 0.00 1.05 0.21 0.42 -2.27 0.00 0.00 179.45 178.86 3g3f s ILE 133 N -4.69 4.82 0.64 2.00 1.01 -1.26 -4.94 121.20 118.78 3g3f s ILE 133 Ca -0.12 0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 3g3f s ILE 133 Cb 0.11 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 3g3f s ILE 133 CO 0.86 -0.44 1.01 -1.61 0.00 0.00 0.00 174.94 174.75 3g3f s GLU 134 N 2.87 3.07 0.06 2.79 2.02 -0.78 -4.88 118.70 123.85 3g3f s GLU 134 Ca 0.26 0.37 -0.17 0.00 0.02 0.00 0.00 54.97 55.45 3g3f s GLU 134 Cb -0.14 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 32.00 3g3f s GLU 134 CO 0.17 -0.79 0.40 1.52 0.02 0.00 0.00 175.26 176.58 3g3f s TYR 135 N -3.18 -0.24 0.00 1.61 -0.85 -1.26 -0.75 117.35 112.69 3g3f s TYR 135 Ca 0.55 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 57.24 3g3f s TYR 135 Cb -0.11 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.44 3g3f s TYR 135 CO 0.50 -0.59 0.00 0.41 -1.52 0.00 0.00 175.55 174.35 3g3f n GLY 136 N 0.37 1.96 3.80 5.49 0.00 -1.08 -4.74 105.19 110.99 3g3f n GLY 136 Ca -0.18 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.38 0.01 4.61 0.00 -1.18 -0.49 121.76 122.33 3g3f s ALA 137 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 3g3f s ALA 137 Cb 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 3g3f s ALA 137 CO 0.00 -1.02 1.35 0.08 0.00 0.00 0.00 175.76 176.18 3g3f s VAL 138 N -3.72 3.77 0.32 0.00 1.01 -1.26 -1.67 120.40 118.86 3g3f s VAL 138 Ca 0.11 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 3g3f s VAL 138 Cb -0.04 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.47 3g3f s VAL 138 CO 0.04 0.02 1.53 1.21 0.00 0.00 0.00 175.10 177.90 3g3f n GLU 139 N 5.08 2.63 -2.02 2.72 2.13 0.37 -3.25 120.64 128.31 3g3f n GLU 139 Ca 0.12 0.93 -0.17 0.00 0.66 0.00 0.00 57.16 58.71 3g3f n GLU 139 Cb 0.44 -2.68 -0.03 0.00 0.27 0.00 0.00 31.44 29.44 3g3f n GLU 139 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3g3f n ASP 140 N 1.50 -5.00 -3.13 4.31 8.00 -1.26 -4.82 116.55 116.15 3g3f n ASP 140 Ca 0.06 0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 3g3f n ASP 140 Cb 0.37 -4.06 -0.01 0.00 -0.02 0.00 0.00 41.12 37.40 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 -0.98 3.36 0.20 0.44 0.00 -1.20 -1.36 105.19 105.66 3g3f n GLY 141 Ca -0.19 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.49 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 0.88 0.65 -0.13 4.61 0.00 -1.88 -1.93 119.26 121.47 3g3f h ALA 142 Ca -0.16 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3g3f h ALA 142 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3g3f h ALA 142 CO 0.25 0.70 0.05 1.15 0.00 0.00 0.00 179.25 181.41 3g3f h THR 143 N 0.40 1.16 -0.70 0.00 2.02 -1.95 -0.30 112.91 113.53 3g3f h THR 143 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3g3f h THR 143 Cb 1.16 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 3g3f h THR 143 CO 0.11 0.15 0.44 -0.03 0.37 0.00 0.00 175.52 176.55 3g3f h MET 144 N 0.05 0.94 -0.28 6.66 -1.53 -1.72 -2.31 114.93 116.74 3g3f h MET 144 Ca 0.04 -0.07 -0.07 0.00 -3.44 0.00 0.00 59.70 56.16 3g3f h MET 144 Cb 0.19 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.02 3g3f h MET 144 CO -0.00 0.65 -0.13 1.15 0.14 0.00 0.00 176.91 178.72 3g3f h THR 145 N 0.95 1.23 -0.24 -0.77 2.02 -1.13 0.08 112.91 115.05 3g3f h THR 145 Ca 0.25 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3g3f h THR 145 Cb -0.06 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3g3f h THR 145 CO -0.05 0.33 0.11 0.15 0.37 0.00 0.00 175.52 176.43 3g3f h PHE 146 N 0.44 0.20 -0.47 3.16 3.57 -0.53 -0.68 116.94 122.63 3g3f h PHE 146 Ca 0.08 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 3g3f h PHE 146 Cb 0.49 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3g3f h PHE 146 CO 0.02 0.11 -0.04 0.74 -2.23 0.00 0.00 178.31 176.90 3g3f h PHE 147 N 0.24 0.95 -0.80 0.41 0.04 -0.95 -1.83 116.94 115.00 3g3f h PHE 147 Ca 0.10 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.70 3g3f h PHE 147 Cb 0.03 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.90 3g3f h PHE 147 CO -0.10 0.92 0.53 -0.22 -0.60 0.00 0.00 178.31 178.84 3g3f h LYS 148 N 0.71 1.02 0.00 1.51 3.64 -0.70 -2.68 116.57 120.07 3g3f h LYS 148 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3g3f h LYS 148 Cb 0.57 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3g3f h LYS 148 CO 0.03 0.67 -0.73 1.63 -2.27 0.00 0.00 179.45 178.79 3g3f n LYS 149 N -4.43 0.20 -2.26 1.90 4.76 -0.29 -4.98 118.16 113.06 3g3f n LYS 149 Ca 0.09 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.16 3g3f n LYS 149 Cb 0.06 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.62 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 -3.74 6.97 0.00 4.39 0.15 -0.70 -4.92 113.70 115.85 3g3f s SER 150 Ca 0.07 2.52 0.24 0.00 0.70 0.00 0.00 55.95 59.47 3g3f s SER 150 Cb 0.15 -2.64 0.17 0.00 -1.71 0.00 0.00 66.02 61.99 3g3f s SER 150 CO 0.74 -0.37 1.21 0.29 1.20 0.00 0.00 173.24 176.31 3g3f n LYS 151 N 0.95 1.36 -2.36 5.44 5.02 -1.26 -4.35 118.16 122.96 3g3f n LYS 151 Ca -0.00 -1.08 -0.42 0.00 -2.02 0.00 0.00 58.31 54.79 3g3f n LYS 151 Cb 0.43 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.39 3.89 0.16 -0.18 1.01 -1.26 -4.88 121.20 117.55 3g3f s ILE 152 Ca 0.22 1.34 -0.17 0.00 0.00 0.00 0.00 60.65 62.04 3g3f s ILE 152 Cb 0.19 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.87 3g3f s ILE 152 CO 0.51 0.09 1.68 0.77 0.00 0.00 0.00 174.94 177.99 3g3f h SER 153 N 6.92 -0.30 -0.69 3.58 4.64 -1.99 0.67 113.55 126.38 3g3f h SER 153 Ca -0.41 0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 3g3f h SER 153 Cb 1.21 0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.46 3g3f h SER 153 CO 0.83 -0.11 0.42 0.74 -0.87 0.00 0.00 176.83 177.85 3g3f h THR 154 N 0.02 1.06 0.09 2.95 2.02 -1.99 -1.42 112.91 115.63 3g3f h THR 154 Ca 0.18 -0.28 -0.25 0.00 0.77 0.00 0.00 66.41 66.83 3g3f h THR 154 Cb 0.27 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3g3f h THR 154 CO -0.36 0.15 -1.14 1.88 0.37 0.00 0.00 175.52 176.41 3g3f h TYR 155 N 0.81 0.39 -0.85 3.16 0.05 -1.60 -1.87 116.97 117.06 3g3f h TYR 155 Ca 0.29 -0.27 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3g3f h TYR 155 Cb 0.07 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 3g3f h TYR 155 CO -0.05 1.19 0.41 0.22 -1.05 0.00 0.00 178.16 178.88 3g3f h ASP 156 N 0.07 1.11 -0.53 3.88 3.58 -0.71 -0.33 116.42 123.50 3g3f h ASP 156 Ca -0.10 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 3g3f h ASP 156 Cb 1.87 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.61 3g3f h ASP 156 CO 0.18 0.93 0.08 0.50 -2.88 0.00 0.00 179.24 178.06 3g3f h LYS 157 N 1.21 0.87 -0.80 0.28 3.64 -1.11 -1.72 116.57 118.94 3g3f h LYS 157 Ca 0.29 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3g3f h LYS 157 Cb 0.11 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3g3f h LYS 157 CO -0.04 0.85 0.38 0.52 -2.27 0.00 0.00 179.45 178.90 3g3f h MET 158 N 0.75 1.16 -0.63 1.90 2.86 -1.05 -2.36 114.93 117.56 3g3f h MET 158 Ca 0.16 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3g3f h MET 158 Cb 0.41 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3g3f h MET 158 CO 0.01 0.90 0.32 2.35 1.06 0.00 0.00 176.91 181.56 3g3f h TRP 159 N 1.14 0.90 -0.93 -0.22 2.91 -0.73 -0.69 115.95 118.32 3g3f h TRP 159 Ca 0.27 -0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.29 3g3f h TRP 159 Cb 0.13 -0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 28.45 3g3f h TRP 159 CO 0.01 0.66 0.61 0.00 -1.03 0.00 0.00 178.44 178.70 3g3f h ALA 160 N 1.15 1.22 -0.14 2.65 0.00 -1.04 0.20 119.26 123.29 3g3f h ALA 160 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3g3f h ALA 160 Cb 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3g3f h ALA 160 CO -0.03 0.51 0.04 0.35 0.00 0.00 0.00 179.25 180.12 3g3f h PHE 161 N 1.21 0.23 -0.51 0.00 3.57 -1.01 -1.99 116.94 118.44 3g3f h PHE 161 Ca 0.36 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3g3f h PHE 161 Cb -0.05 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3g3f h PHE 161 CO -0.01 0.36 0.33 0.52 -2.23 0.00 0.00 178.31 177.28 3g3f h MET 162 N 0.03 0.65 -0.17 1.11 2.86 -0.61 -1.24 114.93 117.56 3g3f h MET 162 Ca 0.04 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3g3f h MET 162 Cb 0.24 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3g3f h MET 162 CO -0.00 0.43 0.05 1.03 1.06 0.00 0.00 176.91 179.48 3g3f h SER 163 N 0.67 0.26 -0.99 1.22 0.87 -0.65 0.60 113.55 115.52 3g3f h SER 163 Ca 0.19 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3g3f h SER 163 Cb -0.06 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 3g3f h SER 163 CO -0.05 0.40 0.66 0.77 -0.53 0.00 0.00 176.83 178.08 3g3f h SER 164 N 0.09 1.12 -0.55 6.23 4.64 -1.11 -2.88 113.55 121.10 3g3f h SER 164 Ca 0.05 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3g3f h SER 164 Cb 0.24 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3g3f h SER 164 CO -0.00 0.80 0.00 0.54 -0.87 0.00 0.00 176.83 177.30 3g3f n ARG 165 N -4.40 4.72 -0.33 4.77 1.74 -0.49 -4.73 116.66 117.93 3g3f n ARG 165 Ca 0.12 -3.14 0.12 0.00 -0.77 0.00 0.00 57.85 54.18 3g3f n ARG 165 Cb 0.04 -2.23 0.30 0.00 -1.02 0.00 0.00 32.46 29.55 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 3.80 0.66 0.00 5.56 0.11 -0.65 -0.67 114.38 123.18 3g3f h ARG 166 Ca 0.00 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 3g3f h ARG 166 Cb 1.93 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.86 3g3f h ARG 166 CO 0.47 0.43 -0.12 1.96 0.10 0.00 0.00 179.97 182.81 3g3f h GLN 167 N 0.68 0.00 0.02 0.08 1.08 -1.86 -1.90 115.11 113.21 3g3f h GLN 167 Ca 0.55 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 57.35 3g3f h GLN 167 Cb 0.88 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.25 3g3f h GLN 167 CO -0.40 0.12 -2.33 0.45 -0.95 0.00 0.00 178.83 175.72 3g3f n SER 168 N -3.66 1.98 0.01 1.46 2.88 -0.41 -4.76 113.62 111.11 3g3f n SER 168 Ca -0.02 0.11 0.11 0.00 -1.33 0.00 0.00 58.87 57.74 3g3f n SER 168 Cb 0.24 -0.65 -0.11 0.00 -0.75 0.00 0.00 64.21 62.94 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 -3.70 0.09 -3.26 2.46 0.24 -0.39 -4.79 118.33 108.97 3g3f n VAL 169 Ca -0.46 -0.36 -0.38 0.00 -2.04 0.00 0.00 64.34 61.10 3g3f n VAL 169 Cb 0.94 0.20 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 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 -4.19 4.26 0.35 1.34 1.43 -0.72 -3.12 118.68 118.03 3g3f s LEU 170 Ca -0.02 0.85 0.09 0.00 -1.03 0.00 0.00 54.13 54.02 3g3f s LEU 170 Cb 0.14 -2.76 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 3g3f s LEU 170 CO 0.87 -0.05 0.02 0.68 0.23 0.00 0.00 176.35 178.10 3g3f s VAL 171 N 0.85 2.56 -1.46 -1.59 -7.23 -0.67 -4.81 120.40 108.04 3g3f s VAL 171 Ca 0.28 -1.96 0.25 0.00 -1.81 0.00 0.00 61.98 58.73 3g3f s VAL 171 Cb -0.16 -2.81 0.08 0.00 0.56 0.00 0.00 36.38 34.05 3g3f s VAL 171 CO 0.11 -0.18 1.36 0.29 -0.31 0.00 0.00 175.10 176.38 3g3f n LYS 172 N -0.97 0.52 -3.46 4.82 5.02 -1.26 -0.47 118.16 122.36 3g3f n LYS 172 Ca -0.04 -0.35 -0.13 0.00 -2.02 0.00 0.00 58.31 55.77 3g3f n LYS 172 Cb 0.63 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 3g3f n LYS 172 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g3f s SER 173 N -2.72 -0.57 0.25 4.39 1.04 -1.26 -4.84 113.70 109.99 3g3f s SER 173 Ca 0.17 0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 3g3f s SER 173 Cb 0.18 0.58 0.41 0.00 0.10 0.00 0.00 66.02 67.28 3g3f s SER 173 CO 0.63 -0.87 1.84 0.78 0.98 0.00 0.00 173.24 176.60 3g3f h ASN 174 N 2.29 0.82 -0.59 7.02 2.35 -1.95 -2.18 115.58 123.34 3g3f h ASN 174 Ca -0.32 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.57 3g3f h ASN 174 Cb 1.26 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 39.42 3g3f h ASN 174 CO 0.39 0.49 0.14 -0.08 -1.65 0.00 0.00 177.43 176.72 3g3f h GLU 175 N 0.94 0.27 -0.24 0.81 4.81 -1.97 0.03 114.58 119.22 3g3f h GLU 175 Ca 0.41 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.53 3g3f h GLU 175 Cb 0.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3g3f h GLU 175 CO -0.22 0.18 -0.28 0.93 -0.73 0.00 0.00 179.01 178.89 3g3f h GLU 176 N 0.28 0.47 -0.58 1.92 5.08 -1.81 -2.20 114.58 117.73 3g3f h GLU 176 Ca 0.31 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3g3f h GLU 176 Cb 0.45 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3g3f h GLU 176 CO -0.38 0.71 0.21 0.78 -1.00 0.00 0.00 179.01 179.32 3g3f h GLY 177 N 1.03 0.95 0.97 -3.84 0.00 -0.70 -1.61 103.07 99.88 3g3f h GLY 177 Ca 0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3g3f h GLY 177 CO 0.05 0.51 0.23 -2.22 0.00 0.00 0.00 176.54 175.11 3g3f h ILE 178 N 0.81 1.20 -0.68 2.60 2.04 -0.83 -1.74 117.51 120.92 3g3f h ILE 178 Ca 0.19 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.53 3g3f h ILE 178 Cb 0.24 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3g3f h ILE 178 CO -0.01 0.23 0.37 -0.61 0.00 0.00 0.00 178.15 178.13 3g3f h GLN 179 N 0.68 0.66 -0.73 2.37 4.15 -1.24 -1.35 115.11 119.66 3g3f h GLN 179 Ca 0.17 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 3g3f h GLN 179 Cb 0.14 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3g3f h GLN 179 CO -0.02 0.44 0.20 0.00 -1.93 0.00 0.00 178.83 177.51 3g3f h ARG 180 N 0.68 1.14 -0.72 1.69 2.47 -0.88 -1.69 114.38 117.07 3g3f h ARG 180 Ca 0.31 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3g3f h ARG 180 Cb 0.22 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 3g3f h ARG 180 CO -0.20 0.99 0.39 0.28 0.56 0.00 0.00 179.97 182.00 3g3f h VAL 181 N 1.09 1.21 0.00 2.04 2.07 -0.57 -1.70 116.25 120.40 3g3f h VAL 181 Ca 0.23 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3g3f h VAL 181 Cb 0.34 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3g3f h VAL 181 CO -0.00 0.24 -0.29 -0.07 0.02 0.00 0.00 177.57 177.47 3g3f h LEU 182 N 1.00 0.00 -0.67 2.57 3.38 -0.94 -3.36 115.31 117.29 3g3f h LEU 182 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3g3f h LEU 182 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3g3f h LEU 182 CO -0.04 0.29 -0.01 0.35 0.09 0.00 0.00 178.44 179.12 3g3f n THR 183 N -3.24 0.00 -3.93 0.22 -2.24 -0.66 -5.05 114.28 99.37 3g3f n THR 183 Ca 0.02 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 3g3f n THR 183 Cb 0.58 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.39 -0.09 -0.99 3.42 1.04 -0.65 -5.04 113.70 110.99 3g3f s SER 184 Ca 0.01 -0.86 -0.20 0.00 0.48 0.00 0.00 55.95 55.38 3g3f s SER 184 Cb 0.00 0.68 0.10 0.00 0.10 0.00 0.00 66.02 66.90 3g3f s SER 184 CO 0.01 -1.30 1.29 -0.62 0.98 0.00 0.00 173.24 173.61 3g3f s ASP 185 N -3.00 6.60 -0.15 7.02 -1.08 -1.26 -4.54 116.67 120.26 3g3f s ASP 185 Ca 0.17 -1.86 -0.12 0.00 -0.52 0.00 0.00 52.55 50.22 3g3f s ASP 185 Cb -0.03 -2.47 0.05 0.00 -1.46 0.00 0.00 42.92 39.00 3g3f s ASP 185 CO 0.09 -1.23 0.40 -0.47 0.52 0.00 0.00 175.17 174.48 3g3f s TYR 186 N 3.61 -0.48 -0.07 -5.34 5.04 -1.26 -1.87 117.35 116.97 3g3f s TYR 186 Ca 0.39 1.13 0.03 0.00 -2.44 0.00 0.00 57.07 56.18 3g3f s TYR 186 Cb -0.02 0.18 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 3g3f s TYR 186 CO -0.09 -0.25 -0.16 0.00 -1.34 0.00 0.00 175.55 173.71 3g3f s ALA 187 N 0.62 2.55 -0.19 3.97 0.00 0.07 -4.35 121.76 124.44 3g3f s ALA 187 Ca -0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3g3f s ALA 187 Cb -0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 3g3f s ALA 187 CO -0.04 0.46 -0.04 0.12 0.00 0.00 0.00 175.76 176.26 3g3f s PHE 188 N -0.37 2.98 -0.26 0.00 5.36 -0.35 -2.62 117.98 122.72 3g3f s PHE 188 Ca 0.04 -0.58 -0.24 0.00 -0.96 0.00 0.00 56.93 55.18 3g3f s PHE 188 Cb -0.12 -2.03 -0.00 0.00 -0.34 0.00 0.00 43.02 40.53 3g3f s PHE 188 CO 0.02 -0.28 0.83 -0.51 -1.46 0.00 0.00 175.22 173.83 3g3f s LEU 189 N 0.90 4.07 0.05 6.12 2.01 0.36 -0.52 118.68 131.68 3g3f s LEU 189 Ca -0.00 0.93 -0.08 0.00 0.01 0.00 0.00 54.13 54.98 3g3f s LEU 189 Cb -0.15 -3.18 -0.00 0.00 0.01 0.00 0.00 46.19 42.88 3g3f s LEU 189 CO 0.01 -0.57 0.17 -0.32 1.01 0.00 0.00 176.35 176.66 3g3f s MET 190 N 2.92 0.72 0.32 1.70 -2.45 -0.45 -4.52 119.30 117.54 3g3f s MET 190 Ca 0.35 -0.75 -0.27 0.00 -1.25 0.00 0.00 55.69 53.76 3g3f s MET 190 Cb -0.15 0.29 -0.09 0.00 1.25 0.00 0.00 34.83 36.13 3g3f s MET 190 CO 0.09 -0.21 1.04 -1.21 1.05 0.00 0.00 175.02 175.78 3g3f s GLU 191 N -2.97 4.50 0.39 4.11 2.02 -1.26 -0.72 118.70 124.77 3g3f s GLU 191 Ca -0.02 1.59 0.08 0.00 0.02 0.00 0.00 54.97 56.64 3g3f s GLU 191 Cb 0.01 -2.92 0.79 0.00 0.10 0.00 0.00 34.13 32.11 3g3f s GLU 191 CO -0.06 0.14 1.95 0.66 0.02 0.00 0.00 175.26 177.97 3g3f h SER 192 N 3.31 0.32 -0.77 -0.19 4.64 -1.00 -1.01 113.55 118.86 3g3f h SER 192 Ca -0.47 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 3g3f h SER 192 Cb 1.21 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 3g3f h SER 192 CO 0.65 0.39 0.44 0.71 -0.87 0.00 0.00 176.83 178.15 3g3f h THR 193 N 0.34 1.23 -0.06 2.95 1.35 -1.90 -1.02 112.91 115.81 3g3f h THR 193 Ca 0.08 -0.54 -0.24 0.00 -0.55 0.00 0.00 66.41 65.16 3g3f h THR 193 Cb 0.26 0.19 0.01 0.00 -1.73 0.00 0.00 68.15 66.88 3g3f h THR 193 CO 0.01 0.24 -0.93 0.74 -0.25 0.00 0.00 175.52 175.34 3g3f h THR 194 N 1.06 1.30 -0.86 6.82 2.02 -1.72 -2.80 112.91 118.73 3g3f h THR 194 Ca 0.27 -2.17 0.06 0.00 0.77 0.00 0.00 66.41 65.35 3g3f h THR 194 Cb 0.01 2.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.59 3g3f h THR 194 CO -0.05 0.67 0.53 0.40 0.37 0.00 0.00 175.52 177.45 3g3f h ILE 195 N 0.42 1.03 -0.80 3.11 2.04 -0.93 -0.81 117.51 121.57 3g3f h ILE 195 Ca -0.09 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3g3f h ILE 195 Cb 1.57 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 3g3f h ILE 195 CO 0.18 0.17 0.51 -0.08 0.00 0.00 0.00 178.15 178.94 3g3f h GLU 196 N 0.96 0.97 -0.23 2.37 4.81 -1.03 0.06 114.58 122.49 3g3f h GLU 196 Ca 0.38 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 3g3f h GLU 196 Cb 0.19 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3g3f h GLU 196 CO -0.18 0.64 0.02 0.35 -0.73 0.00 0.00 179.01 179.11 3g3f h PHE 197 N 0.99 0.42 -0.44 0.92 3.57 -1.13 -2.85 116.94 118.43 3g3f h PHE 197 Ca 0.32 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3g3f h PHE 197 Cb 0.02 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3g3f h PHE 197 CO -0.03 0.54 0.02 0.28 -2.23 0.00 0.00 178.31 176.90 3g3f h VAL 198 N 0.18 1.26 0.00 1.41 2.07 -0.66 -3.00 116.25 117.50 3g3f h VAL 198 Ca 0.07 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 3g3f h VAL 198 Cb 0.36 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3g3f h VAL 198 CO 0.01 0.34 -0.34 0.71 0.02 0.00 0.00 177.57 178.31 3g3f h THR 199 N 0.61 0.92 0.00 2.57 1.35 -1.04 0.52 112.91 117.83 3g3f h THR 199 Ca 0.13 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 3g3f h THR 199 Cb 0.46 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3g3f h THR 199 CO 0.02 0.33 0.00 1.56 -0.25 0.00 0.00 175.52 177.18 3g3f h GLN 200 N 0.00 0.00 0.00 4.72 4.20 -1.36 -3.30 115.11 119.38 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 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3g3f h GLN 200 CO 0.04 0.00 -1.29 0.54 -0.67 0.00 0.00 178.83 177.45 3g3f n ARG 201 N -2.63 0.42 -3.88 1.46 1.74 -0.81 -4.84 116.66 108.12 3g3f n ARG 201 Ca 0.02 -0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.71 3g3f n ARG 201 Cb 0.31 -1.16 -0.13 0.00 -1.02 0.00 0.00 32.46 30.46 3g3f n ARG 201 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3g3f s ASN 202 N -2.79 4.80 0.00 0.55 0.01 0.11 -4.98 114.94 112.64 3g3f s ASN 202 Ca -0.02 -2.62 0.22 0.00 -0.71 0.00 0.00 52.86 49.72 3g3f s ASN 202 Cb 0.05 -1.72 1.10 0.00 0.41 0.00 0.00 41.25 41.08 3g3f s ASN 202 CO 0.30 -0.35 1.70 0.00 -1.51 0.00 0.00 177.10 177.24 3g3f n ASN 204 N -1.28 1.47 -4.63 0.00 6.94 -1.26 -4.92 115.26 111.58 3g3f n ASN 204 Ca 0.10 -1.49 -0.26 0.00 -0.02 0.00 0.00 54.58 52.91 3g3f n ASN 204 Cb 0.17 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.51 3g3f n ASN 204 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3g3f s LEU 205 N -2.00 3.17 0.13 -4.53 1.43 -0.77 -2.22 118.68 113.90 3g3f s LEU 205 Ca 0.38 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3g3f s LEU 205 Cb 0.21 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3g3f s LEU 205 CO 0.34 0.09 0.29 0.28 0.23 0.00 0.00 176.35 177.57 3g3f s THR 206 N -1.77 0.09 0.16 5.49 -1.32 -0.23 -4.81 115.64 113.26 3g3f s THR 206 Ca 0.27 -1.08 -0.30 0.00 -1.21 0.00 0.00 61.69 59.36 3g3f s THR 206 Cb -0.09 -1.47 -0.07 0.00 -1.51 0.00 0.00 72.50 69.36 3g3f s THR 206 CO 0.17 -0.43 0.99 -1.58 -2.21 0.00 0.00 174.62 171.56 3g3f s GLN 207 N -3.88 4.72 -0.21 7.08 0.74 -1.26 -1.60 119.66 125.25 3g3f s GLN 207 Ca 0.09 1.52 -0.05 0.00 0.05 0.00 0.00 55.36 56.97 3g3f s GLN 207 Cb 0.03 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 3g3f s GLN 207 CO -0.07 0.27 -0.01 0.42 -0.55 0.00 0.00 175.29 175.35 3g3f s ILE 208 N -0.40 3.78 0.00 -2.34 -1.09 0.14 -4.95 121.20 116.33 3g3f s ILE 208 Ca 0.46 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 3g3f s ILE 208 Cb -0.25 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3g3f s ILE 208 CO 0.32 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 3g3f n GLY 209 N 4.54 -1.18 0.00 6.18 0.00 -1.20 -3.84 105.19 109.69 3g3f n GLY 209 Ca -0.17 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 3.32 3.75 -0.02 0.00 -1.26 -4.90 105.19 106.08 3g3f n GLY 210 Ca 0.00 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 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 4.48 0.09 0.99 1.43 -1.26 -4.57 118.68 119.84 3g3f s LEU 211 Ca 0.00 1.53 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 3g3f s LEU 211 Cb 0.00 -3.30 -0.24 0.00 0.03 0.00 0.00 46.19 42.69 3g3f s LEU 211 CO 0.00 0.03 1.16 0.40 0.23 0.00 0.00 176.35 178.17 3g3f h ILE 212 N 3.98 1.54 -2.42 -0.59 2.04 -0.99 -3.48 117.51 117.58 3g3f h ILE 212 Ca -0.44 -3.23 -0.06 0.00 1.00 0.00 0.00 64.86 62.13 3g3f h ILE 212 Cb 1.21 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 40.10 3g3f h ILE 212 CO 0.70 0.90 -0.03 -0.90 0.00 0.00 0.00 178.15 178.83 3g3f n ASP 213 N -3.38 -0.30 -3.79 1.72 5.68 -1.26 -4.97 116.55 110.26 3g3f n ASP 213 Ca -0.05 -1.40 -0.17 0.00 -0.50 0.00 0.00 54.79 52.68 3g3f n ASP 213 Cb 0.98 0.55 -0.16 0.00 -1.14 0.00 0.00 41.12 41.35 3g3f n ASP 213 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3g3f s SER 214 N -1.46 0.36 0.26 -1.12 0.15 -1.26 -4.27 113.70 106.36 3g3f s SER 214 Ca 0.06 -0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 3g3f s SER 214 Cb -0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 3g3f s SER 214 CO 0.04 -0.12 0.55 -1.59 1.20 0.00 0.00 173.24 173.33 3g3f s LYS 215 N 1.11 1.65 0.27 5.44 -2.85 -0.27 -4.99 119.74 120.10 3g3f s LYS 215 Ca -0.09 -1.21 0.11 0.00 -1.00 0.00 0.00 55.97 53.79 3g3f s LYS 215 Cb -0.13 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 3g3f s LYS 215 CO -0.02 -0.71 -0.16 0.20 0.10 0.00 0.00 175.35 174.76 3g3f s GLY 216 N -3.00 1.84 -0.12 0.59 0.00 -1.26 -0.75 107.32 104.61 3g3f s GLY 216 Ca 0.20 -1.82 -0.14 0.00 0.00 0.00 0.00 44.72 42.95 3g3f s GLY 216 CO 0.09 -1.90 0.34 -0.19 0.00 0.00 0.00 173.10 171.44 3g3f s TYR 217 N -2.43 3.53 0.17 1.90 2.02 -0.39 -0.87 117.35 121.28 3g3f s TYR 217 Ca 0.30 0.73 0.05 0.00 -0.37 0.00 0.00 57.07 57.78 3g3f s TYR 217 Cb -0.05 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.11 3g3f s TYR 217 CO 0.16 0.33 -0.11 0.20 -1.57 0.00 0.00 175.55 174.56 3g3f s GLY 218 N 0.11 1.21 -0.07 0.71 0.00 -0.87 -1.00 107.32 107.42 3g3f s GLY 218 Ca 0.20 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 3g3f s GLY 218 CO 0.07 -1.65 1.21 0.14 0.00 0.00 0.00 173.10 172.87 3g3f s VAL 219 N -3.22 4.25 0.31 1.40 1.01 -1.26 -4.45 120.40 118.45 3g3f s VAL 219 Ca 0.19 1.57 -0.19 0.00 0.00 0.00 0.00 61.98 63.54 3g3f s VAL 219 Cb 0.02 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 3g3f s VAL 219 CO 0.03 -0.02 0.81 -0.83 0.00 0.00 0.00 175.10 175.08 3g3f s GLY 220 N 1.56 2.52 0.04 4.51 0.00 -0.52 -0.89 107.32 114.53 3g3f s GLY 220 Ca 0.56 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 3g3f s GLY 220 CO 0.21 0.54 -0.01 -0.51 0.00 0.00 0.00 173.10 173.33 3g3f s THR 221 N -1.81 0.18 0.59 0.90 -4.23 0.01 -0.57 115.64 110.71 3g3f s THR 221 Ca 0.51 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 59.33 3g3f s THR 221 Cb -0.14 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 3g3f s THR 221 CO 0.19 -0.82 1.12 -2.65 -0.54 0.00 0.00 174.62 171.91 3g3f n PRO 222 N 0.53 1.13 -1.64 3.99 -0.02 -1.26 -1.02 135.00 136.71 3g3f n PRO 222 Ca -0.17 0.43 -0.47 0.00 -2.02 0.00 0.00 63.50 61.27 3g3f n PRO 222 Cb 0.59 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3g3f n PRO 222 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3g3f n MET 223 N -1.12 1.83 -0.57 -0.52 1.56 -1.26 -1.73 117.12 115.30 3g3f n MET 223 Ca 0.13 0.66 0.00 0.00 -0.27 0.00 0.00 57.70 58.22 3g3f n MET 223 Cb 0.46 -2.36 0.00 0.00 2.15 0.00 0.00 33.22 33.47 3g3f n MET 223 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3g3f n GLY 224 N 2.88 0.89 3.75 -5.12 0.00 -1.26 -4.95 105.19 101.38 3g3f n GLY 224 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.02 6.58 0.34 1.61 0.15 -0.71 -4.88 113.70 113.78 3g3f s SER 225 Ca 0.00 2.78 0.27 0.00 0.70 0.00 0.00 55.95 59.69 3g3f s SER 225 Cb 0.00 -2.64 1.12 0.00 -1.71 0.00 0.00 66.02 62.79 3g3f s SER 225 CO 0.00 -0.74 1.79 1.55 1.20 0.00 0.00 173.24 177.05 3g3f h PRO 226 N 4.45 0.00 0.00 5.44 0.13 -1.96 -2.96 132.00 137.10 3g3f h PRO 226 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3g3f h PRO 226 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3g3f h PRO 226 CO 0.74 0.00 -0.28 1.88 -0.23 0.00 0.00 178.00 180.11 3g3f h TYR 227 N 0.00 0.00 0.02 1.56 0.05 -1.97 -3.30 116.97 113.34 3g3f h TYR 227 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3g3f h TYR 227 Cb 0.38 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 3g3f h TYR 227 CO 0.00 0.28 -0.45 -0.09 -1.05 0.00 0.00 178.16 176.85 3g3f h ARG 228 N 0.00 -0.56 -0.19 4.88 2.43 -1.91 -0.31 114.38 118.72 3g3f h ARG 228 Ca -0.00 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3g3f h ARG 228 Cb 0.81 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3g3f h ARG 228 CO 0.04 -0.38 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.46 3g3f h ASP 229 N -0.58 0.34 -0.54 -3.80 3.32 -1.80 -0.53 116.42 112.82 3g3f h ASP 229 Ca 0.01 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 3g3f h ASP 229 Cb 0.62 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3g3f h ASP 229 CO -0.29 0.58 -0.09 0.11 -1.72 0.00 0.00 179.24 177.83 3g3f h LYS 230 N 0.31 1.02 -0.37 3.56 1.57 -1.58 -2.31 116.57 118.78 3g3f h LYS 230 Ca 0.05 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.31 3g3f h LYS 230 Cb 0.58 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3g3f h LYS 230 CO 0.04 1.06 -0.36 0.82 -0.57 0.00 0.00 179.45 180.44 3g3f h ILE 231 N 0.90 1.28 -0.53 1.86 2.04 -0.65 -1.78 117.51 120.63 3g3f h ILE 231 Ca 0.14 -1.53 0.10 0.00 1.00 0.00 0.00 64.86 64.57 3g3f h ILE 231 Cb 0.66 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.03 3g3f h ILE 231 CO 0.05 0.51 0.10 0.74 0.00 0.00 0.00 178.15 179.54 3g3f h THR 232 N 0.72 0.68 -0.49 -0.27 2.02 -0.94 0.30 112.91 114.93 3g3f h THR 232 Ca 0.07 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 67.04 3g3f h THR 232 Cb 0.93 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3g3f h THR 232 CO 0.09 0.04 -0.19 0.40 0.37 0.00 0.00 175.52 176.23 3g3f h ILE 233 N 0.23 1.27 -0.77 3.11 2.04 -1.22 -1.15 117.51 121.02 3g3f h ILE 233 Ca 0.27 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 3g3f h ILE 233 Cb 0.38 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3g3f h ILE 233 CO -0.36 0.47 0.41 0.00 0.00 0.00 0.00 178.15 178.67 3g3f h ALA 234 N 0.87 0.99 -0.49 1.87 0.00 -0.96 -1.19 119.26 120.35 3g3f h ALA 234 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3g3f h ALA 234 Cb 0.77 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3g3f h ALA 234 CO 0.06 0.51 0.25 0.82 0.00 0.00 0.00 179.25 180.90 3g3f h ILE 235 N 1.07 1.18 -0.52 0.00 2.04 -0.60 -0.42 117.51 120.26 3g3f h ILE 235 Ca 0.27 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3g3f h ILE 235 Cb 0.05 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3g3f h ILE 235 CO -0.04 0.20 0.16 -0.07 0.00 0.00 0.00 178.15 178.40 3g3f h LEU 236 N 0.65 0.71 -0.16 1.44 3.38 -0.92 0.25 115.31 120.67 3g3f h LEU 236 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3g3f h LEU 236 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3g3f h LEU 236 CO -0.02 0.68 0.03 -0.61 0.09 0.00 0.00 178.44 178.60 3g3f h GLN 237 N 0.76 0.26 -0.74 1.13 4.15 -0.81 -1.69 115.11 118.18 3g3f h GLN 237 Ca 0.17 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3g3f h GLN 237 Cb 0.23 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 3g3f h GLN 237 CO -0.01 0.43 0.41 -0.07 -1.93 0.00 0.00 178.83 177.66 3g3f h LEU 238 N 0.06 0.90 -0.20 -2.39 3.38 -0.61 -1.00 115.31 115.45 3g3f h LEU 238 Ca 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3g3f h LEU 238 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3g3f h LEU 238 CO 0.00 0.72 -0.02 -0.61 0.09 0.00 0.00 178.44 178.62 3g3f h GLN 239 N 1.02 0.36 -0.17 1.13 5.75 -0.84 -0.60 115.11 121.77 3g3f h GLN 239 Ca 0.26 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.55 3g3f h GLN 239 Cb 0.01 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3g3f h GLN 239 CO -0.04 0.59 -0.26 1.49 -2.65 0.00 0.00 178.83 177.96 3g3f h GLU 240 N 0.10 0.31 0.00 1.69 4.81 -0.83 -1.70 114.58 118.97 3g3f h GLU 240 Ca 0.05 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3g3f h GLU 240 Cb 0.44 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3g3f h GLU 240 CO 0.01 0.55 0.00 0.39 -0.73 0.00 0.00 179.01 179.24 3g3f n GLU 241 N -4.14 0.05 -0.41 1.92 1.02 -0.42 -4.90 120.64 113.76 3g3f n GLU 241 Ca -0.01 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3g3f n GLU 241 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 1.17 0.73 0.19 0.62 0.00 -0.64 -4.97 105.19 102.30 3g3f n GLY 242 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 3.80 0.44 -0.34 1.61 1.57 -1.31 -2.10 116.57 120.24 3g3f h LYS 243 Ca 0.00 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 3g3f h LYS 243 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3g3f h LYS 243 CO 0.00 0.90 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.46 3g3f h LEU 244 N 0.33 0.69 -0.59 2.94 3.38 -1.81 -0.91 115.31 119.35 3g3f h LEU 244 Ca -0.00 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3g3f h LEU 244 Cb 1.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3g3f h LEU 244 CO 0.10 0.92 -0.02 -0.74 0.09 0.00 0.00 178.44 178.79 3g3f h HIS 245 N 0.59 1.15 -0.68 1.13 2.76 -1.83 -0.60 115.15 117.68 3g3f h HIS 245 Ca 0.08 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.00 3g3f h HIS 245 Cb 0.73 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 3g3f h HIS 245 CO 0.03 1.03 0.27 0.52 -1.30 0.00 0.00 177.93 178.48 3g3f h MET 246 N 0.95 1.00 -0.27 5.26 2.86 -0.97 -1.05 114.93 122.70 3g3f h MET 246 Ca 0.16 -0.17 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 3g3f h MET 246 Cb 0.58 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3g3f h MET 246 CO 0.03 0.81 -0.44 0.52 1.06 0.00 0.00 176.91 178.90 3g3f h MET 247 N 0.98 0.69 -0.36 1.72 2.07 -0.83 -0.97 114.93 118.24 3g3f h MET 247 Ca 0.23 -0.38 -0.04 0.00 -2.07 0.00 0.00 59.70 57.44 3g3f h MET 247 Cb 0.19 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 3g3f h MET 247 CO -0.02 0.99 0.06 -0.22 1.07 0.00 0.00 176.91 178.79 3g3f h LYS 248 N 0.56 0.60 -0.75 1.72 3.64 -0.71 -2.46 116.57 119.16 3g3f h LYS 248 Ca 0.04 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3g3f h LYS 248 Cb 0.99 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 3g3f h LYS 248 CO 0.09 0.67 0.49 0.93 -2.27 0.00 0.00 179.45 179.36 3g3f h GLU 249 N 0.44 1.00 -0.42 1.90 5.08 -0.99 0.32 114.58 121.91 3g3f h GLU 249 Ca 0.11 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3g3f h GLU 249 Cb 0.36 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3g3f h GLU 249 CO 0.01 0.66 0.21 -0.22 -1.00 0.00 0.00 179.01 178.67 3g3f h LYS 250 N 1.02 0.42 0.00 2.33 3.64 -0.94 -2.24 116.57 120.80 3g3f h LYS 250 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3g3f h LYS 250 Cb -0.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3g3f h LYS 250 CO -0.06 0.28 -0.98 0.91 -2.27 0.00 0.00 179.45 177.33 3g3f n TRP 251 N -4.91 0.75 0.45 1.91 7.02 -0.95 -4.03 117.44 117.69 3g3f n TRP 251 Ca 0.02 0.22 0.11 0.00 -1.02 0.00 0.00 57.50 56.83 3g3f n TRP 251 Cb 0.10 -0.81 -0.07 0.00 -2.42 0.00 0.00 31.31 28.10 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 -2.45 0.16 0.00 -5.99 8.01 0.07 -4.85 117.44 112.39 3g3f n TRP 252 Ca 0.01 0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 3g3f n TRP 252 Cb 0.51 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 3g3f n TRP 252 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55