#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfy s ILE 4 N 0.00 3.66 -0.03 0.55 1.01 -0.47 -0.82 121.20 125.10 3dfy s ILE 4 Ca 0.00 1.14 0.12 0.00 0.00 0.00 0.00 60.65 61.90 3dfy s ILE 4 Cb 0.00 -3.73 -0.18 0.00 0.01 0.00 0.00 42.46 38.56 3dfy s ILE 4 CO 0.00 0.05 0.23 1.33 0.00 0.00 0.00 174.94 176.55 3dfy n VAL 5 N 4.28 0.11 -3.58 2.92 0.24 0.15 0.16 118.33 122.61 3dfy n VAL 5 Ca 0.12 -0.31 -0.17 0.00 -2.04 0.00 0.00 64.34 61.94 3dfy n VAL 5 Cb 0.44 0.09 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 3dfy n VAL 5 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dfy s ASN 6 N -3.55 -0.59 -0.06 -1.34 2.47 -1.04 -4.90 114.94 105.93 3dfy s ASN 6 Ca -0.05 0.72 0.01 0.00 0.42 0.00 0.00 52.86 53.96 3dfy s ASN 6 Cb 0.07 0.64 0.02 0.00 -1.45 0.00 0.00 41.25 40.53 3dfy s ASN 6 CO 0.50 -0.52 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.61 3dfy s VAL 7 N -0.96 0.66 -0.05 -5.21 1.01 -1.26 -1.40 120.40 113.20 3dfy s VAL 7 Ca -0.10 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3dfy s VAL 7 Cb -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.70 3dfy s VAL 7 CO 0.08 0.26 -0.08 -0.75 0.00 0.00 0.00 175.10 174.61 3dfy s LYS 8 N 1.02 1.11 0.05 2.72 2.47 0.07 -4.86 119.74 122.32 3dfy s LYS 8 Ca -0.09 -0.24 0.01 0.00 -1.56 0.00 0.00 55.97 54.08 3dfy s LYS 8 Cb -0.14 -1.01 -0.04 0.00 -1.46 0.00 0.00 37.83 35.18 3dfy s LYS 8 CO -0.00 -0.00 0.13 -0.51 0.16 0.00 0.00 175.35 175.13 3dfy s LEU 9 N 0.65 4.06 -0.07 5.43 1.02 -1.26 -1.01 118.68 127.51 3dfy s LEU 9 Ca -0.11 0.15 -0.16 0.00 0.02 0.00 0.00 54.13 54.03 3dfy s LEU 9 Cb -0.13 -2.61 0.03 0.00 0.02 0.00 0.00 46.19 43.50 3dfy s LEU 9 CO 0.01 0.20 0.38 -0.94 0.02 0.00 0.00 176.35 176.03 3dfy s SER 10 N -2.25 -0.32 -0.22 2.29 1.04 -0.82 -4.98 113.70 108.44 3dfy s SER 10 Ca 0.30 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.98 3dfy s SER 10 Cb -0.12 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3dfy s SER 10 CO 0.22 -0.36 0.40 -0.22 0.98 0.00 0.00 173.24 174.26 3dfy s LEU 11 N -0.78 4.13 -0.05 2.42 2.96 -1.26 -1.07 118.68 125.03 3dfy s LEU 11 Ca -0.09 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3dfy s LEU 11 Cb -0.04 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.15 3dfy s LEU 11 CO 0.04 -0.11 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.28 3dfy s LYS 12 N 1.50 1.61 -0.10 1.98 1.02 -0.33 -5.00 119.74 120.42 3dfy s LYS 12 Ca 0.18 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 3dfy s LYS 12 Cb -0.15 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 3dfy s LYS 12 CO 0.08 0.14 -0.03 0.50 -0.92 0.00 0.00 175.35 175.13 3dfy s ARG 13 N 0.29 3.10 -0.06 1.68 3.52 -1.26 -0.86 118.95 125.36 3dfy s ARG 13 Ca -0.08 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3dfy s ARG 13 Cb -0.12 -2.77 0.01 0.00 -1.56 0.00 0.00 34.95 30.51 3dfy s ARG 13 CO 0.02 0.57 -0.11 0.71 -0.81 0.00 0.00 175.30 175.68 3dfy s TYR 14 N -0.53 1.37 -0.10 5.12 2.02 0.05 -4.99 117.35 120.28 3dfy s TYR 14 Ca 0.08 -0.48 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 3dfy s TYR 14 Cb -0.12 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 3dfy s TYR 14 CO 0.02 -0.25 0.35 -1.21 -1.57 0.00 0.00 175.55 172.89 3dfy s GLU 15 N 0.64 4.11 0.71 -0.62 2.02 -1.26 0.05 118.70 124.35 3dfy s GLU 15 Ca -0.13 0.24 -0.12 0.00 0.02 0.00 0.00 54.97 54.97 3dfy s GLU 15 Cb -0.15 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.75 3dfy s GLU 15 CO 0.03 0.39 1.08 0.71 0.02 0.00 0.00 175.26 177.50 3dfy s TYR 16 N -0.06 2.77 0.35 1.61 2.02 -0.90 -4.62 117.35 118.51 3dfy s TYR 16 Ca 0.20 1.51 0.11 0.00 -0.37 0.00 0.00 57.07 58.52 3dfy s TYR 16 Cb -0.14 -3.02 0.63 0.00 -0.40 0.00 0.00 41.96 39.02 3dfy s TYR 16 CO 0.08 -1.55 1.79 1.49 -1.57 0.00 0.00 175.55 175.78 3dfy h GLU 17 N -0.63 0.09 -2.93 -0.62 4.57 -1.36 -3.45 114.58 110.24 3dfy h GLU 17 Ca -0.45 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 3dfy h GLU 17 Cb 1.23 -0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.65 3dfy h GLU 17 CO 0.54 0.46 -0.02 0.15 -1.18 0.00 0.00 179.01 178.96 3dfy s LYS 18 N -4.19 1.01 0.28 1.92 -0.14 -1.26 -5.13 119.74 112.22 3dfy s LYS 18 Ca -0.03 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 53.94 3dfy s LYS 18 Cb 0.14 0.45 -0.12 0.00 -1.68 0.00 0.00 37.83 36.62 3dfy s LYS 18 CO 0.74 -0.36 1.55 -0.35 -0.76 0.00 0.00 175.35 176.17 3dfy n PRO 19 N 0.35 2.53 -3.52 -1.68 -0.04 -1.26 -4.76 135.00 126.61 3dfy n PRO 19 Ca -0.18 0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 63.77 3dfy n PRO 19 Cb 0.61 -2.65 -0.11 0.00 -0.04 0.00 0.00 33.50 31.31 3dfy n PRO 19 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3dfy s PHE 20 N -0.00 3.23 -0.19 0.54 5.36 0.71 -4.87 117.98 122.76 3dfy s PHE 20 Ca 0.65 -0.27 -0.05 0.00 -0.96 0.00 0.00 56.93 56.30 3dfy s PHE 20 Cb -0.54 -2.49 -0.03 0.00 -0.34 0.00 0.00 43.02 39.63 3dfy s PHE 20 CO 0.49 -0.39 0.01 -1.58 -1.46 0.00 0.00 175.22 172.29 3dfy s HIS 21 N 1.71 3.09 0.24 10.12 5.65 -1.26 -0.45 115.29 134.39 3dfy s HIS 21 Ca 0.06 -0.26 0.02 0.00 0.25 0.00 0.00 55.06 55.13 3dfy s HIS 21 Cb -0.18 -2.06 -0.05 0.00 -1.18 0.00 0.00 32.58 29.11 3dfy s HIS 21 CO 0.10 -0.08 0.05 0.96 -0.65 0.00 0.00 174.74 175.12 3dfy s ILE 22 N 0.70 0.74 -0.39 0.89 -4.36 0.82 -0.47 121.20 119.13 3dfy s ILE 22 Ca 0.01 -2.00 -0.40 0.00 -0.26 0.00 0.00 60.65 57.99 3dfy s ILE 22 Cb -0.14 -2.46 -0.15 0.00 1.25 0.00 0.00 42.46 40.95 3dfy s ILE 22 CO 0.02 -0.19 2.02 0.41 0.24 0.00 0.00 174.94 177.45 3dfy n THR 23 N -0.42 0.14 -3.46 8.37 -1.04 -1.26 -0.88 114.28 115.72 3dfy n THR 23 Ca -0.03 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 3dfy n THR 23 Cb 0.65 -1.09 0.07 0.00 -1.82 0.00 0.00 70.33 68.14 3dfy n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dfy n GLY 24 N 6.10 -0.38 3.65 3.41 0.00 -1.26 -5.00 105.19 111.70 3dfy n GLY 24 Ca 0.41 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 3dfy n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dfy s SER 25 N -3.40 -0.13 -0.01 1.61 0.15 -0.06 -5.14 113.70 106.70 3dfy s SER 25 Ca 0.47 0.25 -0.00 0.00 0.70 0.00 0.00 55.95 57.37 3dfy s SER 25 Cb -0.20 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 3dfy s SER 25 CO 0.66 -0.04 0.03 -0.69 1.20 0.00 0.00 173.24 174.39 3dfy s VAL 26 N 0.17 -0.03 0.00 4.45 1.01 -1.26 -0.12 120.40 124.63 3dfy s VAL 26 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3dfy s VAL 26 Cb -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 36.38 36.27 3dfy s VAL 26 CO -0.14 0.04 -0.01 -0.44 0.00 0.00 0.00 175.10 174.55 3dfy s SER 27 N 0.49 0.10 0.00 3.32 0.01 0.40 -4.91 113.70 113.11 3dfy s SER 27 Ca -0.04 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.15 3dfy s SER 27 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.18 3dfy s SER 27 CO -0.01 -0.03 0.73 -1.54 0.41 0.00 0.00 173.24 172.80 3dfy n SER 28 N 2.88 0.94 -3.73 2.44 3.41 -1.26 0.25 113.62 118.56 3dfy n SER 28 Ca -0.14 -1.47 -0.13 0.00 -0.26 0.00 0.00 58.87 56.87 3dfy n SER 28 Cb 0.59 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.46 3dfy n SER 28 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dfy s GLU 29 N -0.47 0.76 -0.20 4.33 2.12 -1.26 -2.12 118.70 121.86 3dfy s GLU 29 Ca 0.00 -0.25 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 3dfy s GLU 29 Cb 0.00 0.34 0.06 0.00 0.26 0.00 0.00 34.13 34.79 3dfy s GLU 29 CO 0.00 -0.23 0.01 0.45 -0.54 0.00 0.00 175.26 174.95 3dfy s SER 30 N -1.57 3.12 -0.46 -1.70 0.15 0.11 -4.91 113.70 108.45 3dfy s SER 30 Ca -0.10 -0.89 -0.14 0.00 0.70 0.00 0.00 55.95 55.51 3dfy s SER 30 Cb -0.03 -0.77 0.07 0.00 -1.71 0.00 0.00 66.02 63.58 3dfy s SER 30 CO 0.02 -0.28 0.36 -0.13 1.20 0.00 0.00 173.24 174.42 3dfy s ARG 31 N 1.72 2.92 0.21 5.44 0.52 -1.26 -0.77 118.95 127.73 3dfy s ARG 31 Ca -0.02 -1.32 0.07 0.00 -0.52 0.00 0.00 55.73 53.94 3dfy s ARG 31 Cb -0.17 -4.06 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 3dfy s ARG 31 CO -0.07 -0.98 0.10 -0.80 0.02 0.00 0.00 175.30 173.57 3dfy s ASN 32 N 2.41 5.18 -0.32 0.23 0.01 -0.04 -4.65 114.94 117.77 3dfy s ASN 32 Ca 0.04 -0.32 -0.06 0.00 -0.71 0.00 0.00 52.86 51.81 3dfy s ASN 32 Cb -0.23 -1.23 0.03 0.00 0.41 0.00 0.00 41.25 40.22 3dfy s ASN 32 CO 0.06 0.03 0.09 -0.69 -1.51 0.00 0.00 177.10 175.08 3dfy s VAL 33 N -1.96 3.83 0.16 1.60 1.01 0.28 -1.18 120.40 124.13 3dfy s VAL 33 Ca 0.31 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 3dfy s VAL 33 Cb -0.09 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 3dfy s VAL 33 CO 0.22 -0.07 0.64 -0.70 0.00 0.00 0.00 175.10 175.19 3dfy s GLU 34 N 1.44 4.19 -0.12 2.72 2.12 -0.23 0.14 118.70 128.96 3dfy s GLU 34 Ca 0.00 0.75 0.01 0.00 0.36 0.00 0.00 54.97 56.10 3dfy s GLU 34 Cb -0.19 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 3dfy s GLU 34 CO 0.02 0.50 -0.15 0.08 -0.54 0.00 0.00 175.26 175.17 3dfy s VAL 35 N -1.36 2.84 -0.15 3.70 1.01 0.46 -1.94 120.40 124.97 3dfy s VAL 35 Ca 0.37 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3dfy s VAL 35 Cb -0.18 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3dfy s VAL 35 CO 0.20 0.54 -0.19 -0.70 0.00 0.00 0.00 175.10 174.96 3dfy s GLU 36 N 0.25 2.71 -0.13 2.72 2.12 -0.18 -1.34 118.70 124.85 3dfy s GLU 36 Ca -0.11 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.50 3dfy s GLU 36 Cb -0.16 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 3dfy s GLU 36 CO 0.06 -0.12 -0.14 0.42 -0.54 0.00 0.00 175.26 174.93 3dfy s ILE 37 N 1.11 2.92 -0.12 -3.70 1.01 0.07 -0.75 121.20 121.73 3dfy s ILE 37 Ca -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3dfy s ILE 37 Cb -0.14 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3dfy s ILE 37 CO -0.07 0.53 -0.16 -0.69 0.00 0.00 0.00 174.94 174.55 3dfy s VAL 38 N 0.36 2.73 0.31 2.92 1.01 -0.49 -0.23 120.40 127.01 3dfy s VAL 38 Ca -0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3dfy s VAL 38 Cb -0.16 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3dfy s VAL 38 CO 0.06 0.53 0.46 -0.76 0.00 0.00 0.00 175.10 175.39 3dfy s LEU 39 N 0.39 4.12 0.64 3.92 1.02 -0.27 -0.67 118.68 127.83 3dfy s LEU 39 Ca -0.13 0.17 0.43 0.00 0.02 0.00 0.00 54.13 54.62 3dfy s LEU 39 Cb -0.16 -3.01 2.30 0.00 0.02 0.00 0.00 46.19 45.33 3dfy s LEU 39 CO 0.06 -0.25 2.31 1.05 0.02 0.00 0.00 176.35 179.54 3dfy h GLU 40 N 0.93 0.00 0.00 1.70 4.11 -1.31 0.18 114.58 120.20 3dfy h GLU 40 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3dfy h GLU 40 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3dfy h GLU 40 CO 0.60 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.55 3dfy n SER 41 N -3.03 0.16 0.00 3.06 3.41 -1.26 -4.90 113.62 111.06 3dfy n SER 41 Ca -0.03 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3dfy n SER 41 Cb 0.08 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 3dfy n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 42 N 1.44 3.04 3.76 5.00 0.00 0.65 -5.05 105.19 114.02 3dfy n GLY 42 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3dfy n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfy s VAL 43 N -2.86 2.28 -0.11 1.61 1.01 -1.26 -4.72 120.40 116.35 3dfy s VAL 43 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3dfy s VAL 43 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3dfy s VAL 43 CO 0.00 0.02 -0.16 -0.54 0.00 0.00 0.00 175.10 174.42 3dfy s LYS 44 N -2.60 2.27 -0.01 2.72 1.02 -1.26 -1.11 119.74 120.77 3dfy s LYS 44 Ca 0.64 -0.58 -0.00 0.00 0.02 0.00 0.00 55.97 56.05 3dfy s LYS 44 Cb -0.40 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3dfy s LYS 44 CO 0.50 -0.04 0.05 0.20 -0.92 0.00 0.00 175.35 175.13 3dfy s GLY 45 N 0.93 1.96 0.01 -3.33 0.00 0.68 -4.72 107.32 102.85 3dfy s GLY 45 Ca -0.08 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 43.82 3dfy s GLY 45 CO -0.01 -0.75 -0.20 -0.19 0.00 0.00 0.00 173.10 171.96 3dfy s TYR 46 N -1.13 1.73 0.17 1.90 2.02 -1.26 -0.75 117.35 120.03 3dfy s TYR 46 Ca 0.21 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 3dfy s TYR 46 Cb -0.12 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 3dfy s TYR 46 CO 0.11 0.03 0.12 0.20 -1.57 0.00 0.00 175.55 174.44 3dfy s GLY 47 N -0.80 1.17 -0.04 0.71 0.00 -0.45 -4.04 107.32 103.87 3dfy s GLY 47 Ca 0.07 -1.53 -0.02 0.00 0.00 0.00 0.00 44.72 43.24 3dfy s GLY 47 CO 0.00 -1.33 0.09 1.85 0.00 0.00 0.00 173.10 173.72 3dfy s GLU 48 N -4.10 0.04 -0.23 2.90 2.12 -1.26 -0.40 118.70 117.76 3dfy s GLU 48 Ca 0.31 0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.83 3dfy s GLU 48 Cb 0.07 -0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 3dfy s GLU 48 CO 0.07 -0.14 0.07 0.00 -0.54 0.00 0.00 175.26 174.72 3dfy s ALA 49 N 0.95 3.21 -0.59 6.30 0.00 0.12 -4.41 121.76 127.33 3dfy s ALA 49 Ca -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3dfy s ALA 49 Cb -0.10 -2.05 0.15 0.00 0.00 0.00 0.00 23.12 21.12 3dfy s ALA 49 CO -0.04 -0.35 0.37 0.45 0.00 0.00 0.00 175.76 176.20 3dfy s SER 50 N 1.36 4.80 0.81 0.00 0.15 -1.26 -0.56 113.70 119.00 3dfy s SER 50 Ca 0.05 -3.02 -0.11 0.00 0.70 0.00 0.00 55.95 53.57 3dfy s SER 50 Cb -0.15 -1.75 0.08 0.00 -1.71 0.00 0.00 66.02 62.50 3dfy s SER 50 CO 0.04 -0.28 1.11 -2.16 1.20 0.00 0.00 173.24 173.15 3dfy s PRO 51 N -0.30 1.87 -0.07 5.44 0.04 -1.26 -4.58 135.00 136.14 3dfy s PRO 51 Ca 0.18 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 3dfy s PRO 51 Cb -0.22 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.51 3dfy s PRO 51 CO -0.03 -1.96 0.03 0.45 0.04 0.00 0.00 177.00 175.54 3dfy s SER 52 N -3.08 1.49 -0.03 6.66 0.15 -1.26 -4.89 113.70 112.74 3dfy s SER 52 Ca 0.64 -0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.96 3dfy s SER 52 Cb -0.20 -0.31 -0.21 0.00 -1.71 0.00 0.00 66.02 63.59 3dfy s SER 52 CO 0.56 -0.23 1.20 0.15 1.20 0.00 0.00 173.24 176.11 3dfy h PHE 53 N 8.38 0.04 -0.10 3.44 3.57 -1.85 -0.12 116.94 130.30 3dfy h PHE 53 Ca -0.16 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.33 3dfy h PHE 53 Cb 1.12 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 3dfy h PHE 53 CO 0.46 0.60 0.03 -0.09 -2.23 0.00 0.00 178.31 177.07 3dfy h ARG 54 N -0.52 0.08 0.02 1.11 2.43 -1.94 0.15 114.38 115.71 3dfy h ARG 54 Ca 0.00 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 3dfy h ARG 54 Cb 0.59 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3dfy h ARG 54 CO 0.00 0.05 -0.54 0.28 -1.51 0.00 0.00 179.97 178.26 3dfy h VAL 55 N 0.08 1.46 -0.00 0.20 2.07 -1.98 -3.40 116.25 114.68 3dfy h VAL 55 Ca 0.04 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3dfy h VAL 55 Cb 0.02 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3dfy h VAL 55 CO -0.04 0.54 -0.73 0.59 0.02 0.00 0.00 177.57 177.96 3dfy n ASN 56 N -4.46 1.08 0.00 0.57 3.02 -0.22 -4.98 115.26 110.27 3dfy n ASN 56 Ca -0.18 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3dfy n ASN 56 Cb 0.60 0.87 0.00 0.00 -0.61 0.00 0.00 39.78 40.64 3dfy n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dfy n GLY 57 N 1.38 0.49 3.87 7.41 0.00 0.52 -4.94 105.19 113.92 3dfy n GLY 57 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3dfy n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfy s GLU 58 N -0.31 3.70 -0.02 1.61 2.02 -0.92 -4.84 118.70 119.94 3dfy s GLU 58 Ca 0.00 0.67 0.01 0.00 0.02 0.00 0.00 54.97 55.67 3dfy s GLU 58 Cb 0.00 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 32.05 3dfy s GLU 58 CO 0.00 -0.36 -0.05 1.03 0.02 0.00 0.00 175.26 175.90 3dfy s ARG 59 N -4.66 0.63 0.32 1.61 0.52 -1.26 -2.82 118.95 113.29 3dfy s ARG 59 Ca 0.54 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 3dfy s ARG 59 Cb -0.11 -0.64 0.63 0.00 0.52 0.00 0.00 34.95 35.35 3dfy s ARG 59 CO 0.44 0.02 1.88 -0.24 0.02 0.00 0.00 175.30 177.43 3dfy h VAL 60 N 5.60 0.97 -0.32 3.52 3.04 -1.94 -1.40 116.25 125.71 3dfy h VAL 60 Ca -0.34 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 3dfy h VAL 60 Cb 1.17 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 3dfy h VAL 60 CO 0.49 0.17 0.06 -0.33 -1.01 0.00 0.00 177.57 176.94 3dfy h GLU 61 N 0.91 0.47 -0.16 4.17 3.07 -1.98 -2.22 114.58 118.84 3dfy h GLU 61 Ca 0.43 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 59.04 3dfy h GLU 61 Cb 0.41 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3dfy h GLU 61 CO -0.19 0.46 -0.60 0.00 -1.40 0.00 0.00 179.01 177.27 3dfy h ALA 62 N 1.61 0.66 -0.50 3.43 0.00 -1.69 -2.61 119.26 120.15 3dfy h ALA 62 Ca 0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3dfy h ALA 62 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dfy h ALA 62 CO -0.00 0.70 0.18 -0.07 0.00 0.00 0.00 179.25 180.06 3dfy h LEU 63 N 0.39 0.71 -1.25 0.00 4.07 -1.05 -2.85 115.31 115.34 3dfy h LEU 63 Ca -0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.73 3dfy h LEU 63 Cb 1.16 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.69 3dfy h LEU 63 CO 0.11 0.71 0.12 -0.07 -1.08 0.00 0.00 178.44 178.23 3dfy h LEU 64 N 0.67 0.59 -0.60 1.67 3.38 -1.39 -2.76 115.31 116.86 3dfy h LEU 64 Ca 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dfy h LEU 64 Cb 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dfy h LEU 64 CO -0.01 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.10 3dfy n ALA 65 N -2.47 1.53 -0.99 1.53 0.00 -0.99 -3.21 120.51 115.90 3dfy n ALA 65 Ca 0.03 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.60 3dfy n ALA 65 Cb 0.19 -1.32 0.31 0.00 0.00 0.00 0.00 19.45 18.63 3dfy n ALA 65 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3dfy n ILE 66 N -2.03 2.52 -0.18 0.00 -5.35 -1.04 -4.68 119.36 108.60 3dfy n ILE 66 Ca 0.02 -1.75 -0.02 0.00 -0.27 0.00 0.00 62.75 60.73 3dfy n ILE 66 Cb 0.17 -0.28 0.06 0.00 -1.74 0.00 0.00 39.64 37.85 3dfy n ILE 66 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3dfy h GLU 67 N 2.54 0.04 -0.68 6.28 4.81 -1.71 -0.86 114.58 124.99 3dfy h GLU 67 Ca 0.03 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3dfy h GLU 67 Cb 1.71 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.04 3dfy h GLU 67 CO 0.36 0.02 0.45 -0.91 -0.73 0.00 0.00 179.01 178.21 3dfy h ASN 68 N 0.04 0.68 -0.34 1.04 2.35 -1.90 -0.50 115.58 116.95 3dfy h ASN 68 Ca 0.27 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3dfy h ASN 68 Cb 0.42 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3dfy h ASN 68 CO -0.53 0.46 -0.01 0.00 -1.65 0.00 0.00 177.43 175.69 3dfy h ALA 69 N 1.61 0.46 -0.25 -0.83 0.00 -1.53 -0.11 119.26 118.61 3dfy h ALA 69 Ca 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dfy h ALA 69 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dfy h ALA 69 CO -0.08 0.24 0.10 0.28 0.00 0.00 0.00 179.25 179.78 3dfy h VAL 70 N 0.42 1.18 -0.57 0.00 2.07 -0.79 -1.38 116.25 117.18 3dfy h VAL 70 Ca 0.10 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3dfy h VAL 70 Cb 0.48 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3dfy h VAL 70 CO 0.02 0.18 0.26 -0.09 0.02 0.00 0.00 177.57 177.96 3dfy h ARG 71 N 0.26 0.46 -0.11 1.57 2.43 -1.02 -1.51 114.38 116.46 3dfy h ARG 71 Ca 0.08 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3dfy h ARG 71 Cb 0.19 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3dfy h ARG 71 CO -0.01 0.31 -0.22 1.49 -1.51 0.00 0.00 179.97 180.04 3dfy h GLU 72 N 0.48 0.18 -0.34 0.20 4.22 -0.74 -1.40 114.58 117.18 3dfy h GLU 72 Ca 0.27 -0.05 -0.17 0.00 0.08 0.00 0.00 59.36 59.49 3dfy h GLU 72 Cb 0.25 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3dfy h GLU 72 CO -0.23 0.40 -0.44 0.52 -2.18 0.00 0.00 179.01 177.08 3dfy h MET 73 N 0.17 0.87 -0.00 1.92 2.86 -0.21 -3.39 114.93 117.16 3dfy h MET 73 Ca 0.03 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3dfy h MET 73 Cb 0.48 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3dfy h MET 73 CO 0.03 1.13 -0.00 0.44 1.06 0.00 0.00 176.91 179.57 3dfy n ILE 74 N -4.03 0.00 -1.83 -1.22 -5.35 -1.03 -4.99 119.36 100.90 3dfy n ILE 74 Ca -0.03 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.54 3dfy n ILE 74 Cb 0.57 1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 39.46 3dfy n ILE 74 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3dfy s THR 75 N -0.57 2.17 0.00 7.28 2.01 -0.53 -2.24 115.64 123.74 3dfy s THR 75 Ca 0.00 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3dfy s THR 75 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 3dfy s THR 75 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 3dfy n GLY 76 N 1.76 1.56 3.79 4.40 0.00 0.12 -4.96 105.19 111.87 3dfy n GLY 76 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3dfy n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 77 N -2.35 4.74 0.09 -0.61 1.01 -0.95 -4.65 121.20 118.47 3dfy s ILE 77 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 3dfy s ILE 77 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 3dfy s ILE 77 CO 0.00 0.49 1.07 -0.62 0.00 0.00 0.00 174.94 175.88 3dfy s ASP 78 N -0.74 7.29 0.62 3.58 -1.08 -1.26 -1.37 116.67 123.71 3dfy s ASP 78 Ca 0.31 1.90 0.39 0.00 -0.52 0.00 0.00 52.55 54.64 3dfy s ASP 78 Cb -0.20 -2.59 2.04 0.00 -1.46 0.00 0.00 42.92 40.71 3dfy s ASP 78 CO 0.20 -0.26 2.24 -0.37 0.52 0.00 0.00 175.17 177.50 3dfy h VAL 79 N 4.26 0.09 0.00 1.11 -1.51 -1.94 -0.05 116.25 118.21 3dfy h VAL 79 Ca -0.42 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3dfy h VAL 79 Cb 1.21 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3dfy h VAL 79 CO 0.75 0.01 0.00 -2.11 -1.23 0.00 0.00 177.57 174.99 3dfy n ARG 80 N -3.19 0.16 -1.85 5.19 1.85 -1.26 -0.85 116.66 116.71 3dfy n ARG 80 Ca -0.02 0.47 -0.36 0.00 -1.00 0.00 0.00 57.85 56.94 3dfy n ARG 80 Cb 0.15 -1.86 0.04 0.00 -1.05 0.00 0.00 32.46 29.74 3dfy n ARG 80 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dfy n ASN 81 N -2.17 7.04 0.17 2.89 3.02 -0.03 -4.78 115.26 121.40 3dfy n ASN 81 Ca 0.01 -3.80 0.16 0.00 -0.03 0.00 0.00 54.58 50.92 3dfy n ASN 81 Cb 0.16 -0.92 0.77 0.00 -0.61 0.00 0.00 39.78 39.19 3dfy n ASN 81 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3dfy h TYR 82 N 2.63 0.00 0.00 3.10 -0.00 -1.15 -1.27 116.97 120.27 3dfy h TYR 82 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.23 3dfy h TYR 82 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.17 3dfy h TYR 82 CO 1.18 0.00 -0.17 0.00 -0.00 0.00 0.00 178.16 179.17 3dfy h ALA 83 N 1.81 1.65 -0.27 0.10 0.00 -1.87 0.34 119.26 121.01 3dfy h ALA 83 Ca 0.10 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3dfy h ALA 83 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 83 CO -0.00 0.21 -0.57 0.00 0.00 0.00 0.00 179.25 178.88 3dfy h ARG 84 N 0.00 0.87 -0.67 0.00 3.08 -1.62 -1.02 114.38 115.00 3dfy h ARG 84 Ca -0.00 -0.57 -0.08 0.00 0.07 0.00 0.00 59.98 59.41 3dfy h ARG 84 Cb 0.31 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3dfy h ARG 84 CO 0.02 1.20 0.12 0.82 -1.07 0.00 0.00 179.97 181.06 3dfy h ILE 85 N 0.66 1.26 -0.34 2.04 2.04 -1.35 -1.12 117.51 120.70 3dfy h ILE 85 Ca 0.01 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 3dfy h ILE 85 Cb 1.18 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3dfy h ILE 85 CO 0.13 0.39 0.14 -0.26 0.00 0.00 0.00 178.15 178.55 3dfy h PHE 86 N 1.04 0.52 -0.62 1.37 -1.00 -0.80 -0.31 116.94 117.13 3dfy h PHE 86 Ca 0.21 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 3dfy h PHE 86 Cb 0.43 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 3dfy h PHE 86 CO 0.03 0.47 0.30 1.49 -1.61 0.00 0.00 178.31 178.99 3dfy h GLU 87 N 0.41 0.90 -0.32 1.51 4.81 -0.94 -2.03 114.58 118.91 3dfy h GLU 87 Ca 0.12 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3dfy h GLU 87 Cb 0.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3dfy h GLU 87 CO -0.01 0.72 0.06 0.82 -0.73 0.00 0.00 179.01 179.87 3dfy h ILE 88 N 0.86 1.23 0.00 2.32 2.04 -1.03 -2.98 117.51 119.95 3dfy h ILE 88 Ca 0.21 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3dfy h ILE 88 Cb 0.12 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3dfy h ILE 88 CO -0.03 0.27 0.00 0.71 0.00 0.00 0.00 178.15 179.10 3dfy h THR 89 N 0.36 0.00 0.00 -0.27 1.35 -0.90 -2.48 112.91 110.98 3dfy h THR 89 Ca 0.10 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3dfy h THR 89 Cb 0.34 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3dfy h THR 89 CO 0.01 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.75 3dfy n ASP 90 N -2.63 0.20 0.04 5.36 8.00 -0.78 -0.32 116.55 126.43 3dfy n ASP 90 Ca 0.02 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.22 3dfy n ASP 90 Cb 0.29 -0.62 0.49 0.00 -0.02 0.00 0.00 41.12 41.27 3dfy n ASP 90 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dfy n ARG 91 N -1.76 0.09 -0.88 -1.24 1.74 -0.93 -3.21 116.66 110.46 3dfy n ARG 91 Ca 0.00 0.15 -0.16 0.00 -0.77 0.00 0.00 57.85 57.07 3dfy n ARG 91 Cb 0.05 -1.62 0.04 0.00 -1.02 0.00 0.00 32.46 29.91 3dfy n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dfy n LEU 92 N -1.77 6.38 0.15 0.55 4.77 0.57 -4.54 117.00 123.10 3dfy n LEU 92 Ca 0.05 -3.26 0.11 0.00 -0.03 0.00 0.00 56.01 52.88 3dfy n LEU 92 Cb 0.31 -1.03 0.55 0.00 -2.33 0.00 0.00 43.42 40.92 3dfy n LEU 92 CO 0.24 1.20 0.84 2.22 -1.33 0.00 0.00 177.39 180.56 3dfy n PHE 93 N 0.29 0.76 1.26 -1.77 1.16 -1.20 -0.39 117.46 117.58 3dfy n PHE 93 Ca 0.30 0.36 0.13 0.00 -1.87 0.00 0.00 57.45 56.37 3dfy n PHE 93 Cb 0.61 -1.08 0.33 0.00 -1.61 0.00 0.00 39.48 37.73 3dfy n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dfy n GLY 94 N -0.88 0.01 2.59 4.97 0.00 -1.26 -4.08 105.19 106.53 3dfy n GLY 94 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 3dfy n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dfy n PHE 95 N 0.12 1.24 -0.31 1.61 3.72 0.48 -4.72 117.46 119.61 3dfy n PHE 95 Ca 0.15 -2.97 0.22 0.00 -0.05 0.00 0.00 57.45 54.80 3dfy n PHE 95 Cb 0.41 -0.36 0.52 0.00 -0.94 0.00 0.00 39.48 39.11 3dfy n PHE 95 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dfy h PRO 96 N 2.97 0.38 -0.26 -1.08 0.13 -1.64 0.18 132.00 132.67 3dfy h PRO 96 Ca -0.04 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.95 3dfy h PRO 96 Cb 1.12 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3dfy h PRO 96 CO 0.53 0.25 -0.35 0.66 -0.23 0.00 0.00 178.00 178.86 3dfy h SER 97 N 0.39 0.60 0.32 1.44 4.64 -1.81 0.06 113.55 119.19 3dfy h SER 97 Ca 0.57 -0.25 -0.20 0.00 -0.47 0.00 0.00 61.79 61.44 3dfy h SER 97 Cb 1.46 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3dfy h SER 97 CO -0.26 0.91 -0.80 0.25 -0.87 0.00 0.00 176.83 176.05 3dfy h LEU 98 N 0.49 0.47 -0.48 5.97 5.85 -1.43 -1.95 115.31 124.22 3dfy h LEU 98 Ca 0.05 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3dfy h LEU 98 Cb 0.84 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3dfy h LEU 98 CO 0.07 1.09 0.29 0.50 -0.34 0.00 0.00 178.44 180.05 3dfy h LYS 99 N 0.24 0.57 -0.10 1.25 3.64 -0.64 -1.13 116.57 120.40 3dfy h LYS 99 Ca -0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3dfy h LYS 99 Cb 1.40 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3dfy h LYS 99 CO 0.14 0.38 0.06 0.00 -2.27 0.00 0.00 179.45 177.76 3dfy h ALA 100 N 1.21 0.13 -0.73 5.00 0.00 -0.85 -1.50 119.26 122.53 3dfy h ALA 100 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dfy h ALA 100 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3dfy h ALA 100 CO -0.08 -0.36 0.48 0.00 0.00 0.00 0.00 179.25 179.29 3dfy h ALA 101 N 1.00 0.93 -0.28 0.00 0.00 -1.04 0.46 119.26 120.33 3dfy h ALA 101 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3dfy h ALA 101 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3dfy h ALA 101 CO -0.01 0.32 -0.28 0.28 0.00 0.00 0.00 179.25 179.56 3dfy h VAL 102 N 0.97 1.30 -0.66 0.00 2.07 -1.12 0.32 116.25 119.14 3dfy h VAL 102 Ca 0.27 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 3dfy h VAL 102 Cb -0.08 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3dfy h VAL 102 CO -0.07 0.46 0.11 1.56 0.02 0.00 0.00 177.57 179.65 3dfy h GLN 103 N 0.42 1.07 -0.19 1.57 4.20 -1.05 -1.17 115.11 119.97 3dfy h GLN 103 Ca 0.04 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 3dfy h GLN 103 Cb 0.85 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 3dfy h GLN 103 CO 0.07 0.98 -0.25 0.35 -0.67 0.00 0.00 178.83 179.31 3dfy h PHE 104 N 1.01 0.61 -0.92 2.96 3.57 -0.85 -2.60 116.94 120.72 3dfy h PHE 104 Ca 0.20 -0.20 0.17 0.00 3.53 0.00 0.00 57.97 61.66 3dfy h PHE 104 Cb 0.43 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 3dfy h PHE 104 CO 0.03 0.90 0.59 0.00 -2.23 0.00 0.00 178.31 177.60 3dfy h ALA 105 N 0.61 1.87 -0.28 2.41 0.00 -0.73 0.25 119.26 123.39 3dfy h ALA 105 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dfy h ALA 105 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3dfy h ALA 105 CO 0.06 -0.15 0.13 1.15 0.00 0.00 0.00 179.25 180.43 3dfy h THR 106 N 0.66 1.16 -0.05 0.00 2.02 -0.99 -0.81 112.91 114.90 3dfy h THR 106 Ca 0.48 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 3dfy h THR 106 Cb 0.85 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3dfy h THR 106 CO -0.24 0.17 -0.47 -0.07 0.37 0.00 0.00 175.52 175.28 3dfy h LEU 107 N 0.32 0.13 -0.24 2.58 3.38 -0.70 -0.60 115.31 120.18 3dfy h LEU 107 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3dfy h LEU 107 Cb 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dfy h LEU 107 CO -0.01 0.59 0.07 -0.78 0.09 0.00 0.00 178.44 178.40 3dfy h ASP 108 N 0.10 0.35 -0.27 -0.43 3.58 -0.28 0.23 116.42 119.70 3dfy h ASP 108 Ca 0.00 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.21 3dfy h ASP 108 Cb 0.88 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 3dfy h ASP 108 CO 0.07 0.46 0.01 0.00 -2.88 0.00 0.00 179.24 176.90 3dfy h ALA 109 N 0.90 0.36 -0.50 -0.78 0.00 -0.99 -2.91 119.26 115.35 3dfy h ALA 109 Ca 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3dfy h ALA 109 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3dfy h ALA 109 CO -0.00 0.09 0.31 1.25 0.00 0.00 0.00 179.25 180.90 3dfy h LEU 110 N 0.26 0.52 -1.72 0.00 5.85 -0.96 -2.34 115.31 116.91 3dfy h LEU 110 Ca 0.08 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3dfy h LEU 110 Cb 0.41 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3dfy h LEU 110 CO 0.01 0.37 -0.15 0.77 -0.34 0.00 0.00 178.44 179.11 3dfy h SER 111 N 0.63 0.00 -0.25 1.25 4.64 -0.93 -1.61 113.55 117.27 3dfy h SER 111 Ca 0.19 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3dfy h SER 111 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3dfy h SER 111 CO -0.07 0.15 -0.21 1.56 -0.87 0.00 0.00 176.83 177.39 3dfy h GLN 112 N 0.00 0.59 0.00 4.77 4.20 -1.23 0.25 115.11 123.69 3dfy h GLN 112 Ca -0.00 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 3dfy h GLN 112 Cb 0.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3dfy h GLN 112 CO 0.02 0.89 -0.05 0.93 -0.67 0.00 0.00 178.83 179.94 3dfy h GLU 113 N 0.31 0.00 -0.01 1.46 5.08 -0.96 -1.64 114.58 118.82 3dfy h GLU 113 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3dfy h GLU 113 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3dfy h GLU 113 CO 0.05 0.05 -0.30 1.28 -1.00 0.00 0.00 179.01 179.10 3dfy n LEU 114 N -3.25 1.80 -1.58 1.33 4.77 -0.66 -4.96 117.00 114.44 3dfy n LEU 114 Ca -0.01 -0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 55.24 3dfy n LEU 114 Cb 0.25 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3dfy n LEU 114 CO 0.27 0.32 -0.03 0.61 -1.33 0.00 0.00 177.39 177.23 3dfy n GLY 115 N 1.36 0.02 0.00 -0.72 0.00 -0.33 -5.01 105.19 100.52 3dfy n GLY 115 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3dfy n GLY 115 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dfy n THR 116 N -3.93 0.00 -4.37 2.61 5.66 0.73 -5.02 114.28 109.96 3dfy n THR 116 Ca -0.08 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.68 3dfy n THR 116 Cb 0.57 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.26 3dfy n THR 116 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3dfy s GLN 117 N -1.61 2.00 0.16 1.09 -0.21 -1.26 -4.12 119.66 115.71 3dfy s GLN 117 Ca 0.00 -1.53 -0.16 0.00 0.02 0.00 0.00 55.36 53.69 3dfy s GLN 117 Cb 0.00 -2.00 0.10 0.00 1.00 0.00 0.00 33.01 32.10 3dfy s GLN 117 CO 0.00 0.36 1.72 0.28 -2.12 0.00 0.00 175.29 175.53 3dfy h VAL 118 N 2.21 0.77 -0.87 1.09 2.07 -1.92 -1.53 116.25 118.07 3dfy h VAL 118 Ca -0.43 -0.05 0.17 0.00 0.82 0.00 0.00 66.70 67.20 3dfy h VAL 118 Cb 1.25 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 3dfy h VAL 118 CO 0.59 0.03 0.57 0.00 0.02 0.00 0.00 177.57 178.77 3dfy h TYR 120 N 0.54 0.55 0.00 0.00 0.05 -1.65 0.45 116.97 116.91 3dfy h TYR 120 Ca 0.44 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 3dfy h TYR 120 Cb 0.90 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 3dfy h TYR 120 CO -0.00 1.02 -0.11 1.25 -1.05 0.00 0.00 178.16 179.27 3dfy h LEU 121 N 0.27 0.00 -1.01 3.88 5.85 -0.17 -2.06 115.31 122.07 3dfy h LEU 121 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3dfy h LEU 121 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3dfy h LEU 121 CO 0.13 0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.52 3dfy n LEU 122 N -4.41 1.54 0.00 2.25 4.77 -0.60 -4.90 117.00 115.65 3dfy n LEU 122 Ca -0.03 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3dfy n LEU 122 Cb 0.18 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3dfy n LEU 122 CO 0.35 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3dfy n GLY 123 N 1.14 1.77 4.07 -0.72 0.00 -0.77 -4.02 105.19 106.67 3dfy n GLY 123 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3dfy n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfy n GLY 124 N 0.00 -0.39 0.26 -0.02 0.00 0.12 -4.87 105.19 100.29 3dfy n GLY 124 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 3dfy n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dfy h LYS 125 N -1.73 0.72 -5.40 1.61 3.64 -0.92 -3.45 116.57 111.04 3dfy h LYS 125 Ca -0.60 -0.29 -0.41 0.00 -1.27 0.00 0.00 60.65 58.08 3dfy h LYS 125 Cb 1.38 -0.04 -0.19 0.00 -0.41 0.00 0.00 32.23 32.98 3dfy h LYS 125 CO 0.71 0.88 -0.76 1.03 -2.27 0.00 0.00 179.45 179.04 3dfy s ARG 126 N -4.59 1.00 -0.02 1.90 0.52 0.10 -4.95 118.95 112.91 3dfy s ARG 126 Ca -0.09 -1.21 0.21 0.00 -0.52 0.00 0.00 55.73 54.12 3dfy s ARG 126 Cb 0.13 -0.88 -0.30 0.00 0.52 0.00 0.00 34.95 34.42 3dfy s ARG 126 CO 0.83 0.17 0.56 -0.25 0.02 0.00 0.00 175.30 176.63 3dfy n ASP 127 N 0.60 0.38 -3.79 0.23 8.00 -1.26 -4.62 116.55 116.09 3dfy n ASP 127 Ca -0.16 -0.24 -0.13 0.00 0.71 0.00 0.00 54.79 54.97 3dfy n ASP 127 Cb 0.57 1.73 -0.10 0.00 -0.02 0.00 0.00 41.12 43.29 3dfy n ASP 127 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dfy s GLU 128 N -3.33 0.47 0.06 -1.24 2.12 -1.26 -2.67 118.70 112.85 3dfy s GLU 128 Ca -0.04 0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.33 3dfy s GLU 128 Cb 0.14 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 3dfy s GLU 128 CO 0.87 -0.10 -0.06 0.96 -0.54 0.00 0.00 175.26 176.39 3dfy s ILE 129 N -0.66 0.50 -0.04 -3.70 -4.36 -0.71 -5.00 121.20 107.24 3dfy s ILE 129 Ca -0.08 -1.51 0.07 0.00 -0.26 0.00 0.00 60.65 58.87 3dfy s ILE 129 Cb -0.04 -1.13 -0.02 0.00 1.25 0.00 0.00 42.46 42.52 3dfy s ILE 129 CO 0.02 -0.68 -0.24 -0.70 0.24 0.00 0.00 174.94 173.58 3dfy s GLU 130 N -2.81 2.37 0.20 0.37 2.12 -1.26 -0.65 118.70 119.03 3dfy s GLU 130 Ca 0.01 -0.89 0.08 0.00 0.36 0.00 0.00 54.97 54.52 3dfy s GLU 130 Cb -0.01 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 3dfy s GLU 130 CO -0.03 0.48 0.03 -0.08 -0.54 0.00 0.00 175.26 175.12 3dfy s THR 131 N -0.41 3.79 0.05 -1.70 -1.32 -0.28 -3.86 115.64 111.90 3dfy s THR 131 Ca 0.04 -1.49 -0.00 0.00 -1.21 0.00 0.00 61.69 59.03 3dfy s THR 131 Cb -0.12 -2.94 0.01 0.00 -1.51 0.00 0.00 72.50 67.94 3dfy s THR 131 CO 0.01 -0.18 0.06 -0.90 -2.21 0.00 0.00 174.62 171.40 3dfy n ASP 132 N -0.37 0.06 -3.95 8.08 5.68 -0.02 -4.75 116.55 121.28 3dfy n ASP 132 Ca -0.09 -1.06 -0.11 0.00 -0.50 0.00 0.00 54.79 53.03 3dfy n ASP 132 Cb 0.56 -0.04 -0.13 0.00 -1.14 0.00 0.00 41.12 40.37 3dfy n ASP 132 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3dfy s LYS 133 N -2.68 0.25 -0.09 0.11 2.36 -1.13 -4.53 119.74 114.02 3dfy s LYS 133 Ca 0.04 -0.37 -0.06 0.00 -2.55 0.00 0.00 55.97 53.03 3dfy s LYS 133 Cb -0.00 -0.05 -0.04 0.00 -1.05 0.00 0.00 37.83 36.69 3dfy s LYS 133 CO 0.03 0.00 0.15 0.99 1.55 0.00 0.00 175.35 178.07 3dfy s THR 134 N -0.78 5.49 -0.38 3.43 2.01 -1.26 -1.39 115.64 122.76 3dfy s THR 134 Ca -0.07 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.97 3dfy s THR 134 Cb -0.06 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 69.07 3dfy s THR 134 CO -0.00 0.55 0.18 -0.69 -0.69 0.00 0.00 174.62 173.96 3dfy s VAL 135 N -1.10 4.03 0.95 3.82 1.01 0.14 -4.96 120.40 124.29 3dfy s VAL 135 Ca 0.18 -1.24 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 3dfy s VAL 135 Cb -0.12 -3.37 0.16 0.00 0.00 0.00 0.00 36.38 33.05 3dfy s VAL 135 CO 0.08 -0.33 1.13 -0.83 0.00 0.00 0.00 175.10 175.14 3dfy s GLY 136 N 1.70 1.58 0.23 4.51 0.00 -1.26 -1.55 107.32 112.53 3dfy s GLY 136 Ca 0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 3dfy s GLY 136 CO 0.03 0.07 1.16 -0.42 0.00 0.00 0.00 173.10 173.93 3dfy s ILE 137 N -3.20 3.51 0.00 0.90 1.01 0.38 -4.77 121.20 119.03 3dfy s ILE 137 Ca 0.65 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.67 3dfy s ILE 137 Cb -0.15 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3dfy s ILE 137 CO 0.55 0.27 0.00 -0.67 0.00 0.00 0.00 174.94 175.08 3dfy n ASP 138 N 1.89 0.00 -4.74 3.58 -0.08 -1.26 -4.53 116.55 111.41 3dfy n ASP 138 Ca 0.02 -0.91 -0.32 0.00 -1.51 0.00 0.00 54.79 52.07 3dfy n ASP 138 Cb 0.45 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.01 3dfy n ASP 138 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dfy s THR 139 N -2.54 2.79 0.28 5.18 -4.23 -1.26 -4.77 115.64 111.09 3dfy s THR 139 Ca 0.00 0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.81 3dfy s THR 139 Cb 0.00 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.42 3dfy s THR 139 CO 0.00 -0.29 1.88 0.58 -0.54 0.00 0.00 174.62 176.25 3dfy h VAL 140 N -0.90 1.03 -0.01 2.29 2.07 -2.00 -1.51 116.25 117.23 3dfy h VAL 140 Ca -0.45 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3dfy h VAL 140 Cb 1.26 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3dfy h VAL 140 CO 0.49 0.20 0.01 -0.33 0.02 0.00 0.00 177.57 177.96 3dfy h GLU 141 N 1.08 0.02 -0.52 1.57 5.08 -2.00 -2.28 114.58 117.53 3dfy h GLU 141 Ca 0.44 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 3dfy h GLU 141 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3dfy h GLU 141 CO -0.19 0.03 0.18 -0.91 -1.00 0.00 0.00 179.01 177.13 3dfy h ASN 142 N -0.01 0.69 -0.63 1.42 2.35 -1.79 -1.35 115.58 116.26 3dfy h ASN 142 Ca 0.00 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3dfy h ASN 142 Cb 0.02 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3dfy h ASN 142 CO -0.00 0.64 0.22 0.03 -1.65 0.00 0.00 177.43 176.67 3dfy h ARG 143 N 0.74 0.96 -0.38 0.81 3.08 -1.04 0.12 114.38 118.67 3dfy h ARG 143 Ca 0.18 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3dfy h ARG 143 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3dfy h ARG 143 CO -0.01 0.83 -0.16 0.28 -1.07 0.00 0.00 179.97 179.84 3dfy h VAL 144 N 0.89 1.28 -0.44 2.04 2.07 -1.15 -0.25 116.25 120.69 3dfy h VAL 144 Ca 0.21 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3dfy h VAL 144 Cb 0.25 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3dfy h VAL 144 CO -0.01 0.43 0.27 0.50 0.02 0.00 0.00 177.57 178.78 3dfy h LYS 145 N 0.59 0.59 -0.53 1.57 1.63 -0.93 0.30 116.57 119.80 3dfy h LYS 145 Ca 0.09 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3dfy h LYS 145 Cb 0.70 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3dfy h LYS 145 CO 0.05 0.43 0.21 1.49 -3.45 0.00 0.00 179.45 178.18 3dfy h GLU 146 N 0.59 0.79 -0.64 1.90 4.81 -0.65 -0.54 114.58 120.83 3dfy h GLU 146 Ca 0.16 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3dfy h GLU 146 Cb -0.02 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3dfy h GLU 146 CO -0.03 0.69 0.18 0.00 -0.73 0.00 0.00 179.01 179.11 3dfy h ALA 147 N 1.06 0.84 -0.06 2.92 0.00 -0.67 -0.92 119.26 122.43 3dfy h ALA 147 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 147 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dfy h ALA 147 CO -0.01 0.54 -0.05 0.87 0.00 0.00 0.00 179.25 180.60 3dfy h LYS 148 N 0.94 -0.06 -0.12 0.00 1.79 -0.05 0.56 116.57 119.64 3dfy h LYS 148 Ca 0.20 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 3dfy h LYS 148 Cb 0.33 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 3dfy h LYS 148 CO -0.00 -0.04 0.03 -0.22 -1.08 0.00 0.00 179.45 178.14 3dfy h LYS 149 N -0.06 0.09 -0.71 3.15 3.64 -0.83 -2.14 116.57 119.71 3dfy h LYS 149 Ca 0.04 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3dfy h LYS 149 Cb 0.12 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 3dfy h LYS 149 CO -0.10 0.06 0.41 0.82 -2.27 0.00 0.00 179.45 178.37 3dfy h ILE 150 N 0.09 1.00 -0.28 2.00 2.04 -0.90 -2.39 117.51 119.06 3dfy h ILE 150 Ca 0.05 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3dfy h ILE 150 Cb 0.03 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3dfy h ILE 150 CO -0.06 0.14 0.18 0.15 0.00 0.00 0.00 178.15 178.57 3dfy h PHE 151 N 0.76 0.35 0.00 1.37 3.57 -0.54 -2.36 116.94 120.09 3dfy h PHE 151 Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3dfy h PHE 151 Cb 0.17 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3dfy h PHE 151 CO -0.06 0.22 0.00 1.05 -2.23 0.00 0.00 178.31 177.29 3dfy h GLU 152 N 0.38 0.00 0.00 1.11 4.11 -1.03 -1.48 114.58 117.66 3dfy h GLU 152 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3dfy h GLU 152 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3dfy h GLU 152 CO -0.02 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.45 3dfy n GLU 153 N -3.05 0.15 0.00 1.06 1.02 -0.90 -4.87 120.64 114.04 3dfy n GLU 153 Ca -0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3dfy n GLU 153 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3dfy n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dfy n GLY 154 N 0.76 0.71 3.70 0.62 0.00 -0.56 -4.77 105.19 105.66 3dfy n GLY 154 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3dfy n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfy s PHE 155 N -2.00 3.02 -1.23 1.61 0.08 -1.18 -4.81 117.98 113.47 3dfy s PHE 155 Ca 0.00 0.85 0.11 0.00 0.12 0.00 0.00 56.93 58.01 3dfy s PHE 155 Cb 0.00 -3.69 0.13 0.00 -0.57 0.00 0.00 43.02 38.89 3dfy s PHE 155 CO 0.00 -2.51 0.93 0.54 -0.10 0.00 0.00 175.22 174.08 3dfy n ARG 156 N 4.65 1.04 -4.04 0.44 5.12 -1.26 -4.48 116.66 118.13 3dfy n ARG 156 Ca 0.12 -1.34 -0.29 0.00 -1.93 0.00 0.00 57.85 54.41 3dfy n ARG 156 Cb 0.43 -1.22 -0.17 0.00 -1.16 0.00 0.00 32.46 30.35 3dfy n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dfy s VAL 157 N -0.91 1.41 -0.17 1.55 1.01 -1.26 0.28 120.40 122.31 3dfy s VAL 157 Ca 0.15 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3dfy s VAL 157 Cb 0.09 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3dfy s VAL 157 CO 0.14 0.43 -0.17 -0.63 0.00 0.00 0.00 175.10 174.87 3dfy s ILE 158 N 1.49 1.85 -0.18 2.22 1.01 -0.07 -2.84 121.20 124.69 3dfy s ILE 158 Ca 0.04 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 3dfy s ILE 158 Cb -0.13 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3dfy s ILE 158 CO -0.09 0.49 0.55 -0.75 0.00 0.00 0.00 174.94 175.13 3dfy s LYS 159 N 1.37 4.23 -0.17 2.79 2.20 -0.49 -1.84 119.74 127.84 3dfy s LYS 159 Ca 0.05 0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 3dfy s LYS 159 Cb -0.13 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 3dfy s LYS 159 CO -0.12 -0.10 -0.10 0.42 -0.36 0.00 0.00 175.35 175.09 3dfy s ILE 160 N 1.48 3.15 0.14 5.43 1.01 0.16 0.23 121.20 132.80 3dfy s ILE 160 Ca 0.26 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 3dfy s ILE 160 Cb -0.16 -2.37 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 3dfy s ILE 160 CO 0.10 0.48 0.77 -0.54 0.00 0.00 0.00 174.94 175.76 3dfy s LYS 161 N 0.86 4.55 0.20 2.79 -0.14 -0.60 -1.43 119.74 125.98 3dfy s LYS 161 Ca -0.03 1.14 -0.01 0.00 -1.36 0.00 0.00 55.97 55.71 3dfy s LYS 161 Cb -0.15 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 3dfy s LYS 161 CO 0.00 0.51 0.28 1.33 -0.76 0.00 0.00 175.35 176.71 3dfy n VAL 162 N 1.88 0.00 0.00 3.17 0.24 -0.36 -4.59 118.33 118.67 3dfy n VAL 162 Ca -0.05 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 3dfy n VAL 162 Cb 0.49 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 3dfy n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dfy n GLY 163 N -0.33 1.59 0.03 7.63 0.00 -1.26 -4.09 105.19 108.75 3dfy n GLY 163 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3dfy n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dfy n GLU 164 N 0.00 0.66 -3.24 1.61 1.02 -1.26 -4.42 120.64 115.00 3dfy n GLU 164 Ca 0.00 -0.15 -0.04 0.00 -0.02 0.00 0.00 57.16 56.96 3dfy n GLU 164 Cb 0.00 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 3dfy n GLU 164 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dfy s ASN 165 N -4.70 -0.53 0.22 1.62 3.84 -1.26 -5.05 114.94 109.09 3dfy s ASN 165 Ca -0.07 -0.37 -0.12 0.00 0.21 0.00 0.00 52.86 52.51 3dfy s ASN 165 Cb 0.13 1.50 0.29 0.00 -0.55 0.00 0.00 41.25 42.63 3dfy s ASN 165 CO 0.89 -0.30 1.63 0.25 -2.79 0.00 0.00 177.10 176.78 3dfy h LEU 166 N 7.82 -0.51 0.21 3.21 5.85 -1.99 0.14 115.31 130.04 3dfy h LEU 166 Ca -0.03 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3dfy h LEU 166 Cb 1.15 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 3dfy h LEU 166 CO 0.19 -0.20 -0.32 0.50 -0.34 0.00 0.00 178.44 178.28 3dfy h LYS 167 N 0.03 -0.57 -0.06 1.25 3.11 -2.00 -1.83 116.57 116.50 3dfy h LYS 167 Ca 0.33 0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 58.12 3dfy h LYS 167 Cb 0.53 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 3dfy h LYS 167 CO -0.65 -0.38 -0.37 0.93 -2.81 0.00 0.00 179.45 176.16 3dfy h GLU 168 N -0.59 0.12 -0.49 1.90 5.08 -1.84 -2.67 114.58 116.08 3dfy h GLU 168 Ca 0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3dfy h GLU 168 Cb 0.58 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3dfy h GLU 168 CO -0.13 0.48 0.15 -0.44 -1.00 0.00 0.00 179.01 178.07 3dfy h ASP 169 N 0.10 0.72 -0.58 1.42 3.32 -0.41 0.39 116.42 121.37 3dfy h ASP 169 Ca 0.01 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3dfy h ASP 169 Cb 0.71 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3dfy h ASP 169 CO 0.05 0.74 0.31 0.40 -1.72 0.00 0.00 179.24 179.02 3dfy h ILE 170 N 0.66 1.20 0.11 0.35 2.04 -1.23 -0.79 117.51 119.84 3dfy h ILE 170 Ca 0.16 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3dfy h ILE 170 Cb 0.28 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3dfy h ILE 170 CO -0.00 0.22 -0.05 -0.08 0.00 0.00 0.00 178.15 178.23 3dfy h GLU 171 N 0.79 -0.14 -0.97 2.37 4.81 -1.11 -1.89 114.58 118.43 3dfy h GLU 171 Ca 0.20 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 3dfy h GLU 171 Cb 0.07 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 3dfy h GLU 171 CO -0.03 0.04 0.62 0.00 -0.73 0.00 0.00 179.01 178.92 3dfy h ALA 172 N 0.58 1.36 -0.61 2.92 0.00 -0.06 -0.39 119.26 123.07 3dfy h ALA 172 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3dfy h ALA 172 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dfy h ALA 172 CO 0.02 0.39 0.05 0.28 0.00 0.00 0.00 179.25 180.00 3dfy h VAL 173 N 1.12 1.26 -0.39 0.00 2.07 -1.00 -0.64 116.25 118.67 3dfy h VAL 173 Ca 0.43 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3dfy h VAL 173 Cb 0.19 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3dfy h VAL 173 CO -0.18 0.40 -0.01 -0.08 0.02 0.00 0.00 177.57 177.71 3dfy h GLU 174 N 0.94 0.70 -0.60 1.57 4.81 -0.54 -1.97 114.58 119.48 3dfy h GLU 174 Ca 0.18 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3dfy h GLU 174 Cb 0.50 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3dfy h GLU 174 CO 0.02 0.80 0.04 0.93 -0.73 0.00 0.00 179.01 180.07 3dfy h GLU 175 N 0.52 1.01 -0.63 1.92 4.39 -0.97 -2.67 114.58 118.15 3dfy h GLU 175 Ca 0.11 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 3dfy h GLU 175 Cb 0.49 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3dfy h GLU 175 CO 0.02 0.97 0.18 0.82 -1.16 0.00 0.00 179.01 179.85 3dfy h ILE 176 N 0.94 1.25 -0.14 3.13 2.04 -1.03 -2.66 117.51 121.03 3dfy h ILE 176 Ca 0.18 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3dfy h ILE 176 Cb 0.49 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3dfy h ILE 176 CO 0.02 0.33 -0.05 0.00 0.00 0.00 0.00 178.15 178.46 3dfy h ALA 177 N 1.07 1.65 -0.29 1.87 0.00 -1.16 -2.36 119.26 120.04 3dfy h ALA 177 Ca 0.20 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 177 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dfy h ALA 177 CO -0.00 0.26 -0.22 0.87 0.00 0.00 0.00 179.25 180.16 3dfy h LYS 178 N 0.21 0.54 -0.72 0.00 1.57 -1.13 -3.07 116.57 113.97 3dfy h LYS 178 Ca 0.05 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3dfy h LYS 178 Cb 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dfy h LYS 178 CO 0.01 0.72 0.00 1.33 -0.57 0.00 0.00 179.45 180.94 3dfy n VAL 179 N -4.14 1.23 -2.73 0.50 0.24 -0.98 -4.41 118.33 108.05 3dfy n VAL 179 Ca -0.00 -1.06 0.01 0.00 -2.04 0.00 0.00 64.34 61.25 3dfy n VAL 179 Cb 0.39 0.40 0.04 0.00 -1.47 0.00 0.00 33.84 33.20 3dfy n VAL 179 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3dfy n THR 180 N 1.51 0.99 -1.70 3.34 -2.24 -0.93 -4.76 114.28 110.51 3dfy n THR 180 Ca 0.25 -2.48 -0.44 0.00 -2.27 0.00 0.00 64.05 59.12 3dfy n THR 180 Cb 0.70 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 70.07 3dfy n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dfy n ARG 181 N -0.33 2.38 0.00 -0.78 1.74 -1.21 -1.74 116.66 116.72 3dfy n ARG 181 Ca 0.08 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 3dfy n ARG 181 Cb 0.89 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 3dfy n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dfy n GLY 182 N 2.92 1.58 3.91 -0.13 0.00 -1.26 -5.08 105.19 107.12 3dfy n GLY 182 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3dfy n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy s ALA 183 N -2.29 3.63 0.17 4.61 0.00 -0.71 -4.98 121.76 122.19 3dfy s ALA 183 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3dfy s ALA 183 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3dfy s ALA 183 CO 0.00 0.24 0.31 0.15 0.00 0.00 0.00 175.76 176.45 3dfy s LYS 184 N -3.58 3.44 0.00 0.00 1.02 0.14 -4.97 119.74 115.80 3dfy s LYS 184 Ca 0.44 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.87 3dfy s LYS 184 Cb -0.11 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3dfy s LYS 184 CO 0.30 0.50 -0.20 0.71 -0.92 0.00 0.00 175.35 175.74 3dfy s TYR 185 N -1.80 1.74 -0.12 3.18 2.02 -1.26 -0.89 117.35 120.21 3dfy s TYR 185 Ca 0.35 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 3dfy s TYR 185 Cb -0.11 -1.09 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 3dfy s TYR 185 CO 0.29 0.00 -0.21 0.42 -1.57 0.00 0.00 175.55 174.48 3dfy s ILE 186 N -0.55 1.91 -0.15 2.71 1.01 -0.77 -0.99 121.20 124.38 3dfy s ILE 186 Ca 0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 3dfy s ILE 186 Cb -0.08 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3dfy s ILE 186 CO -0.00 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.67 3dfy s VAL 187 N 0.71 3.22 -0.23 2.92 1.01 -0.09 0.39 120.40 128.34 3dfy s VAL 187 Ca -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3dfy s VAL 187 Cb -0.16 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.88 3dfy s VAL 187 CO 0.01 0.50 -0.13 -0.62 0.00 0.00 0.00 175.10 174.87 3dfy s ASP 188 N 0.59 3.91 0.00 3.32 -1.08 -0.51 0.73 116.67 123.63 3dfy s ASP 188 Ca -0.06 -1.11 0.27 0.00 -0.52 0.00 0.00 52.55 51.12 3dfy s ASP 188 Cb -0.15 -1.46 0.85 0.00 -1.46 0.00 0.00 42.92 40.70 3dfy s ASP 188 CO 0.03 -0.14 1.63 0.00 0.52 0.00 0.00 175.17 177.21 3dfy n ALA 189 N 4.53 2.78 -4.16 3.66 0.00 -0.89 -1.22 120.51 125.21 3dfy n ALA 189 Ca -0.16 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.48 3dfy n ALA 189 Cb 0.45 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 3dfy n ALA 189 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dfy n ASN 190 N -0.04 -0.71 -0.75 0.00 4.13 -1.18 -0.37 115.26 116.33 3dfy n ASN 190 Ca 0.16 -1.21 -0.10 0.00 1.68 0.00 0.00 54.58 55.11 3dfy n ASN 190 Cb 0.37 -1.49 -0.04 0.00 -1.54 0.00 0.00 39.78 37.09 3dfy n ASN 190 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3dfy n MET 191 N -4.53 -1.43 0.20 3.52 2.81 0.40 -4.82 117.12 113.27 3dfy n MET 191 Ca -0.24 0.81 0.08 0.00 -1.81 0.00 0.00 57.70 56.54 3dfy n MET 191 Cb 0.61 -5.06 0.35 0.00 -0.71 0.00 0.00 33.22 28.41 3dfy n MET 191 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3dfy h GLY 192 N 0.00 0.00 -3.05 3.03 0.00 -0.71 -3.35 103.07 98.98 3dfy h GLY 192 Ca -0.20 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.66 3dfy h GLY 192 CO 0.29 0.00 -0.45 -0.19 0.00 0.00 0.00 176.54 176.19 3dfy s TYR 193 N -3.50 3.31 0.63 5.60 2.02 -0.33 -4.86 117.35 120.21 3dfy s TYR 193 Ca 0.01 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 3dfy s TYR 193 Cb 0.10 -1.57 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3dfy s TYR 193 CO 0.67 0.41 0.93 0.95 -1.57 0.00 0.00 175.55 176.94 3dfy s THR 194 N -2.05 3.12 0.19 -0.71 -4.23 -1.26 -4.12 115.64 106.57 3dfy s THR 194 Ca 0.35 -0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.59 3dfy s THR 194 Cb -0.09 -3.27 0.10 0.00 1.34 0.00 0.00 72.50 70.59 3dfy s THR 194 CO 0.28 -0.27 1.73 1.56 -0.54 0.00 0.00 174.62 177.38 3dfy h GLN 195 N -0.30 0.29 -0.57 3.99 4.20 -1.92 0.81 115.11 121.61 3dfy h GLN 195 Ca -0.45 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 3dfy h GLN 195 Cb 1.28 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3dfy h GLN 195 CO 0.60 0.19 0.14 0.87 -0.67 0.00 0.00 178.83 179.96 3dfy h LYS 196 N 0.30 0.92 -0.65 1.46 6.56 -1.98 -2.05 116.57 121.13 3dfy h LYS 196 Ca 0.25 -0.22 -0.06 0.00 -1.06 0.00 0.00 60.65 59.56 3dfy h LYS 196 Cb 0.30 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.81 3dfy h LYS 196 CO -0.28 0.85 0.18 0.93 -2.06 0.00 0.00 179.45 179.07 3dfy h GLU 197 N 0.82 1.02 -0.84 3.15 5.08 -1.81 -1.52 114.58 120.49 3dfy h GLU 197 Ca 0.18 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3dfy h GLU 197 Cb 0.35 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3dfy h GLU 197 CO 0.00 0.91 0.38 0.00 -1.00 0.00 0.00 179.01 179.30 3dfy h ALA 198 N 1.07 1.10 -0.33 3.43 0.00 -0.63 0.07 119.26 123.97 3dfy h ALA 198 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3dfy h ALA 198 Cb 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dfy h ALA 198 CO -0.00 0.67 -0.12 0.28 0.00 0.00 0.00 179.25 180.08 3dfy h VAL 199 N 1.20 1.29 -0.61 0.00 2.07 -1.20 -2.84 116.25 116.15 3dfy h VAL 199 Ca 0.28 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3dfy h VAL 199 Cb 0.15 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3dfy h VAL 199 CO -0.03 0.39 0.34 -0.08 0.02 0.00 0.00 177.57 178.21 3dfy h GLU 200 N 0.43 0.84 -0.12 1.57 4.57 -0.93 -0.84 114.58 120.10 3dfy h GLU 200 Ca 0.08 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3dfy h GLU 200 Cb 0.64 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 3dfy h GLU 200 CO 0.04 0.63 -0.23 0.35 -1.18 0.00 0.00 179.01 178.63 3dfy h PHE 201 N 0.83 -0.60 -0.84 0.92 3.57 -0.92 -0.32 116.94 119.58 3dfy h PHE 201 Ca 0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3dfy h PHE 201 Cb 0.03 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3dfy h PHE 201 CO -0.01 -0.31 0.44 0.00 -2.23 0.00 0.00 178.31 176.20 3dfy h ALA 202 N 0.67 1.20 -0.40 2.41 0.00 -1.25 -2.03 119.26 119.87 3dfy h ALA 202 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3dfy h ALA 202 Cb 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3dfy h ALA 202 CO -0.29 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.65 3dfy h ARG 203 N 1.18 0.66 -0.38 0.00 3.08 -0.56 -0.28 114.38 118.08 3dfy h ARG 203 Ca 0.29 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3dfy h ARG 203 Cb 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3dfy h ARG 203 CO -0.04 0.72 0.16 0.00 -1.07 0.00 0.00 179.97 179.73 3dfy h ALA 204 N 0.92 0.49 -0.36 0.04 0.00 -0.91 0.45 119.26 119.89 3dfy h ALA 204 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3dfy h ALA 204 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3dfy h ALA 204 CO 0.01 0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.74 3dfy h VAL 205 N 0.47 1.21 -0.79 0.00 2.07 -1.32 -2.56 116.25 115.33 3dfy h VAL 205 Ca 0.13 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3dfy h VAL 205 Cb 0.18 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3dfy h VAL 205 CO -0.01 0.24 0.49 0.22 0.02 0.00 0.00 177.57 178.53 3dfy h TYR 206 N 0.43 0.91 0.00 1.57 3.20 -0.78 -1.11 116.97 121.19 3dfy h TYR 206 Ca 0.12 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3dfy h TYR 206 Cb 0.26 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 3dfy h TYR 206 CO 0.01 0.49 -0.08 1.96 -1.64 0.00 0.00 178.16 178.91 3dfy h GLN 207 N 0.93 0.00 -0.19 1.82 1.08 -0.62 -0.57 115.11 117.56 3dfy h GLN 207 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 3dfy h GLN 207 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3dfy h GLN 207 CO -0.14 0.08 0.00 1.63 -0.95 0.00 0.00 178.83 179.45 3dfy n LYS 208 N -3.81 1.49 -0.97 1.46 5.02 -0.44 -4.88 118.16 116.03 3dfy n LYS 208 Ca -0.02 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 3dfy n LYS 208 Cb 0.17 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3dfy n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfy n GLY 209 N 0.88 0.58 3.78 0.72 0.00 -0.22 -5.01 105.19 105.92 3dfy n GLY 209 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3dfy n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 210 N -2.50 4.66 -0.14 -0.61 1.01 -1.09 -5.03 121.20 117.50 3dfy s ILE 210 Ca 0.00 1.44 -0.04 0.00 0.00 0.00 0.00 60.65 62.05 3dfy s ILE 210 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3dfy s ILE 210 CO 0.00 0.49 0.01 -0.62 0.00 0.00 0.00 174.94 174.81 3dfy s ASP 211 N -0.76 5.19 -0.26 3.58 2.15 -1.26 -4.12 116.67 121.18 3dfy s ASP 211 Ca 0.33 0.02 -0.03 0.00 0.43 0.00 0.00 52.55 53.30 3dfy s ASP 211 Cb -0.21 -1.75 0.02 0.00 -0.30 0.00 0.00 42.92 40.69 3dfy s ASP 211 CO 0.22 0.23 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.79 3dfy s ILE 212 N -0.01 3.11 0.22 4.11 1.01 -1.26 -4.34 121.20 124.05 3dfy s ILE 212 Ca 0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 3dfy s ILE 212 Cb -0.13 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.82 3dfy s ILE 212 CO 0.02 0.16 1.68 0.00 0.00 0.00 0.00 174.94 176.80 3dfy h ALA 213 N 8.06 0.95 -3.06 9.38 0.00 -1.44 -3.38 119.26 129.77 3dfy h ALA 213 Ca -0.32 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.00 3dfy h ALA 213 Cb 1.11 -0.18 -0.35 0.00 0.00 0.00 0.00 17.79 18.37 3dfy h ALA 213 CO 0.58 0.62 -0.61 0.08 0.00 0.00 0.00 179.25 179.91 3dfy s VAL 214 N -4.84 -0.27 -0.57 0.00 1.01 -1.21 -4.27 120.40 110.25 3dfy s VAL 214 Ca -0.10 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 3dfy s VAL 214 Cb 0.14 -0.32 0.14 0.00 0.00 0.00 0.00 36.38 36.34 3dfy s VAL 214 CO 0.83 0.14 0.49 -0.47 0.00 0.00 0.00 175.10 176.09 3dfy s TYR 215 N 2.21 3.41 -0.03 5.22 5.04 0.71 -0.91 117.35 133.00 3dfy s TYR 215 Ca 0.02 -1.70 -0.26 0.00 -2.44 0.00 0.00 57.07 52.68 3dfy s TYR 215 Cb -0.12 -3.67 -0.04 0.00 0.35 0.00 0.00 41.96 38.49 3dfy s TYR 215 CO -0.06 -1.00 0.81 -2.00 -1.34 0.00 0.00 175.55 171.96 3dfy s GLU 216 N 1.16 4.49 -0.19 4.97 2.12 0.22 -0.65 118.70 130.84 3dfy s GLU 216 Ca 0.07 1.09 -0.03 0.00 0.36 0.00 0.00 54.97 56.47 3dfy s GLU 216 Cb -0.25 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3dfy s GLU 216 CO -0.01 0.05 0.16 0.94 -0.54 0.00 0.00 175.26 175.86 3dfy n GLN 217 N 3.71 -0.42 0.14 4.30 -0.06 0.44 -2.09 117.38 123.40 3dfy n GLN 217 Ca 0.01 0.24 -0.01 0.00 -2.00 0.00 0.00 57.00 55.24 3dfy n GLN 217 Cb 0.51 -0.55 0.22 0.00 -4.06 0.00 0.00 30.24 26.36 3dfy n GLN 217 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3dfy h PRO 218 N 0.63 0.05 -5.59 3.69 0.13 -1.83 0.12 132.00 129.19 3dfy h PRO 218 Ca -0.16 -0.03 -0.62 0.00 -0.87 0.00 0.00 66.00 64.32 3dfy h PRO 218 Cb 0.36 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.39 3dfy h PRO 218 CO 0.09 0.56 -0.47 0.14 -0.23 0.00 0.00 178.00 178.09 3dfy s VAL 219 N -3.84 1.64 0.57 1.56 -7.23 -1.26 -1.19 120.40 110.66 3dfy s VAL 219 Ca -0.02 -1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 58.15 3dfy s VAL 219 Cb 0.13 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 3dfy s VAL 219 CO 0.76 0.00 0.92 0.54 -0.31 0.00 0.00 175.10 177.01 3dfy n ARG 220 N -1.35 0.92 -0.20 4.82 1.74 -1.26 -4.14 116.66 117.20 3dfy n ARG 220 Ca -0.09 0.35 0.07 0.00 -0.77 0.00 0.00 57.85 57.41 3dfy n ARG 220 Cb 0.66 -2.10 0.35 0.00 -1.02 0.00 0.00 32.46 30.35 3dfy n ARG 220 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3dfy h ARG 221 N 0.61 0.74 0.00 5.56 0.11 -1.92 -2.19 114.38 117.28 3dfy h ARG 221 Ca -0.48 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3dfy h ARG 221 Cb 1.36 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.28 3dfy h ARG 221 CO 0.51 0.49 -0.17 0.39 0.10 0.00 0.00 179.97 181.29 3dfy n GLU 222 N -4.49 0.20 -1.92 0.08 -0.58 -1.26 -4.49 120.64 108.17 3dfy n GLU 222 Ca 0.11 0.13 -0.42 0.00 -0.42 0.00 0.00 57.16 56.56 3dfy n GLU 222 Cb 0.25 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3dfy n GLU 222 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3dfy n ASP 223 N -2.02 4.45 -0.22 1.62 2.03 -0.83 -4.72 116.55 116.87 3dfy n ASP 223 Ca 0.05 -2.93 -0.07 0.00 0.52 0.00 0.00 54.79 52.36 3dfy n ASP 223 Cb 0.41 -1.59 0.07 0.00 -0.72 0.00 0.00 41.12 39.28 3dfy n ASP 223 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dfy h ILE 224 N 3.87 1.26 -0.20 5.18 1.08 -1.82 -1.86 117.51 125.01 3dfy h ILE 224 Ca 0.52 -1.02 -0.06 0.00 -0.39 0.00 0.00 64.86 63.91 3dfy h ILE 224 Cb 0.62 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 3dfy h ILE 224 CO 1.80 0.38 -0.13 -0.33 -0.69 0.00 0.00 178.15 179.18 3dfy h GLU 225 N 1.00 0.33 -0.55 2.37 4.39 -1.98 -2.18 114.58 117.96 3dfy h GLU 225 Ca 0.20 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3dfy h GLU 225 Cb 0.43 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3dfy h GLU 225 CO 0.01 0.47 0.06 0.78 -1.16 0.00 0.00 179.01 179.17 3dfy h GLY 226 N 0.83 1.00 0.87 -3.84 0.00 -1.77 0.56 103.07 100.73 3dfy h GLY 226 Ca 0.06 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.73 3dfy h GLY 226 CO 0.02 0.64 0.52 1.41 0.00 0.00 0.00 176.54 179.13 3dfy h LEU 227 N 0.81 0.85 -0.57 3.11 3.38 -0.91 -0.42 115.31 121.57 3dfy h LEU 227 Ca 0.16 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 3dfy h LEU 227 Cb 0.45 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3dfy h LEU 227 CO 0.02 0.59 -0.12 0.50 0.09 0.00 0.00 178.44 179.51 3dfy h LYS 228 N 1.01 1.02 0.25 1.13 3.64 -0.97 0.59 116.57 123.23 3dfy h LYS 228 Ca 0.32 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3dfy h LYS 228 Cb 0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3dfy h LYS 228 CO -0.11 1.07 -0.12 0.35 -2.27 0.00 0.00 179.45 178.36 3dfy h PHE 229 N 0.90 -0.32 -0.96 1.91 3.57 -0.12 -1.21 116.94 120.70 3dfy h PHE 229 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3dfy h PHE 229 Cb 0.69 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 3dfy h PHE 229 CO 0.05 -0.20 0.61 0.28 -2.23 0.00 0.00 178.31 176.82 3dfy h VAL 230 N -0.34 1.26 -0.98 1.41 2.07 -1.01 -2.05 116.25 116.60 3dfy h VAL 230 Ca -0.03 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3dfy h VAL 230 Cb 0.27 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 3dfy h VAL 230 CO 0.05 0.26 0.64 -0.09 0.02 0.00 0.00 177.57 178.45 3dfy h ARG 231 N 1.32 1.15 -0.44 1.57 2.43 -0.49 0.26 114.38 120.17 3dfy h ARG 231 Ca 0.35 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.33 3dfy h ARG 231 Cb -0.10 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.17 3dfy h ARG 231 CO -0.07 0.76 -0.19 0.35 -1.51 0.00 0.00 179.97 179.32 3dfy h PHE 232 N 1.19 0.97 0.00 2.20 3.57 -0.51 -3.29 116.94 121.07 3dfy h PHE 232 Ca 0.41 -0.21 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 3dfy h PHE 232 Cb 0.10 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3dfy h PHE 232 CO -0.00 0.97 -1.64 0.72 -2.23 0.00 0.00 178.31 176.13 3dfy n HIS 233 N -4.12 0.69 -2.22 0.41 8.25 -1.05 -4.93 115.22 112.25 3dfy n HIS 233 Ca 0.01 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 3dfy n HIS 233 Cb 0.42 -0.99 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 3dfy n HIS 233 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3dfy s SER 234 N -5.55 6.88 0.00 0.41 0.15 0.87 -4.89 113.70 111.58 3dfy s SER 234 Ca -0.05 2.29 0.29 0.00 0.70 0.00 0.00 55.95 59.18 3dfy s SER 234 Cb 0.09 -2.59 1.32 0.00 -1.71 0.00 0.00 66.02 63.13 3dfy s SER 234 CO 0.83 -0.60 1.95 -0.81 1.20 0.00 0.00 173.24 175.81 3dfy n PRO 235 N 3.70 0.16 -4.12 5.44 -0.04 -1.26 -4.80 135.00 134.07 3dfy n PRO 235 Ca 0.10 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 3dfy n PRO 235 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 3dfy n PRO 235 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dfy s PHE 236 N -2.84 3.00 0.29 0.54 0.08 -1.26 -5.04 117.98 112.75 3dfy s PHE 236 Ca 0.19 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.91 3dfy s PHE 236 Cb 0.19 -1.53 -0.11 0.00 -0.57 0.00 0.00 43.02 41.00 3dfy s PHE 236 CO 0.49 0.49 1.57 -2.14 -0.10 0.00 0.00 175.22 175.54 3dfy s PRO 237 N -2.41 4.14 -0.14 0.24 0.02 -1.26 -4.82 135.00 130.77 3dfy s PRO 237 Ca 0.27 2.54 -0.06 0.00 0.02 0.00 0.00 61.00 63.77 3dfy s PRO 237 Cb -0.11 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 3dfy s PRO 237 CO 0.19 -0.61 0.05 0.08 -0.33 0.00 0.00 177.00 176.39 3dfy s VAL 238 N 0.01 4.75 0.13 3.83 1.01 -1.26 -0.21 120.40 128.66 3dfy s VAL 238 Ca 0.63 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3dfy s VAL 238 Cb -0.47 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3dfy s VAL 238 CO 0.47 0.54 -0.19 0.00 0.00 0.00 0.00 175.10 175.92 3dfy s ALA 239 N -0.27 2.65 -0.15 5.51 0.00 0.18 -1.15 121.76 128.53 3dfy s ALA 239 Ca 0.08 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 3dfy s ALA 239 Cb -0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3dfy s ALA 239 CO 0.02 0.56 0.06 0.00 0.00 0.00 0.00 175.76 176.40 3dfy s ALA 240 N -1.21 3.47 0.00 0.00 0.00 -0.53 -0.42 121.76 123.07 3dfy s ALA 240 Ca 0.18 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3dfy s ALA 240 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3dfy s ALA 240 CO 0.10 0.36 0.00 -3.47 0.00 0.00 0.00 175.76 172.75 3dfy n ASP 241 N 2.91 0.00 0.11 0.00 4.64 -1.26 -0.50 116.55 122.45 3dfy n ASP 241 Ca -0.18 0.00 0.19 0.00 -1.38 0.00 0.00 54.79 53.42 3dfy n ASP 241 Cb 0.53 0.00 0.75 0.00 -1.04 0.00 0.00 41.12 41.36 3dfy n ASP 241 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3dfy h GLU 242 N 0.00 0.00 -0.00 -0.67 3.07 -1.94 0.28 114.58 115.32 3dfy h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dfy h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3dfy h GLU 242 CO 0.00 0.00 -0.02 0.43 -1.40 0.00 0.00 179.01 178.02 3dfy n SER 243 N -4.03 0.05 -3.86 1.42 7.64 -1.26 -4.49 113.62 109.08 3dfy n SER 243 Ca 0.06 -0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.49 3dfy n SER 243 Cb 0.48 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 3dfy n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dfy s ALA 244 N -2.59 2.82 -0.13 -0.43 0.00 0.98 -4.74 121.76 117.66 3dfy s ALA 244 Ca 0.28 -2.95 -0.00 0.00 0.00 0.00 0.00 51.96 49.28 3dfy s ALA 244 Cb 0.20 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 21.20 3dfy s ALA 244 CO 0.47 -2.01 -0.12 0.54 0.00 0.00 0.00 175.76 174.63 3dfy n ARG 245 N 3.36 0.32 -4.26 0.00 1.74 -1.26 -4.83 116.66 111.72 3dfy n ARG 245 Ca 0.06 0.08 -0.25 0.00 -0.77 0.00 0.00 57.85 56.97 3dfy n ARG 245 Cb 0.34 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3dfy n ARG 245 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3dfy s THR 246 N -2.26 2.41 0.39 0.55 -4.23 -1.26 -3.25 115.64 107.98 3dfy s THR 246 Ca -0.18 -1.83 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 3dfy s THR 246 Cb 0.05 -2.93 0.26 0.00 1.34 0.00 0.00 72.50 71.21 3dfy s THR 246 CO 0.29 -0.07 2.01 0.07 -0.54 0.00 0.00 174.62 176.38 3dfy h LYS 247 N 1.60 0.00 -0.20 3.99 2.10 -1.95 -1.91 116.57 120.21 3dfy h LYS 247 Ca -0.43 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.02 3dfy h LYS 247 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3dfy h LYS 247 CO 0.70 0.16 -0.66 0.74 -2.00 0.00 0.00 179.45 178.39 3dfy h PHE 248 N 0.00 1.00 -0.36 0.07 0.04 -1.97 -1.24 116.94 114.48 3dfy h PHE 248 Ca -0.00 -0.40 0.03 0.00 2.80 0.00 0.00 57.97 60.40 3dfy h PHE 248 Cb 0.41 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 3dfy h PHE 248 CO 0.00 1.22 0.16 -0.44 -0.60 0.00 0.00 178.31 178.65 3dfy h ASP 249 N 0.56 0.21 -0.62 2.17 3.32 -1.69 -1.59 116.42 118.78 3dfy h ASP 249 Ca -0.02 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3dfy h ASP 249 Cb 1.27 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 3dfy h ASP 249 CO 0.14 0.16 0.03 0.58 -1.72 0.00 0.00 179.24 178.43 3dfy h VAL 250 N 0.33 1.27 -0.73 -1.35 2.07 -1.36 -0.58 116.25 115.89 3dfy h VAL 250 Ca 0.16 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 3dfy h VAL 250 Cb 0.10 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3dfy h VAL 250 CO -0.13 0.41 0.45 -0.03 0.02 0.00 0.00 177.57 178.28 3dfy h MET 251 N 0.98 0.98 -0.38 1.57 1.85 -0.98 0.19 114.93 119.15 3dfy h MET 251 Ca 0.18 -0.08 -0.07 0.00 -0.61 0.00 0.00 59.70 59.12 3dfy h MET 251 Cb 0.52 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 3dfy h MET 251 CO 0.03 0.68 -0.03 -0.09 -0.40 0.00 0.00 176.91 177.10 3dfy h ARG 252 N 1.00 0.68 -0.84 0.39 2.43 -0.74 -1.00 114.38 116.31 3dfy h ARG 252 Ca 0.26 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3dfy h ARG 252 Cb -0.05 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3dfy h ARG 252 CO -0.05 0.80 0.54 -0.07 -1.51 0.00 0.00 179.97 179.69 3dfy h LEU 253 N 0.50 0.91 -0.12 3.80 3.38 -0.28 -1.27 115.31 122.23 3dfy h LEU 253 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3dfy h LEU 253 Cb 0.52 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dfy h LEU 253 CO 0.03 0.64 0.01 0.58 0.09 0.00 0.00 178.44 179.78 3dfy h VAL 254 N 1.07 1.23 -0.82 1.22 2.07 -0.81 -0.95 116.25 119.26 3dfy h VAL 254 Ca 0.33 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 67.18 3dfy h VAL 254 Cb -0.02 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3dfy h VAL 254 CO -0.10 0.22 0.54 0.11 0.02 0.00 0.00 177.57 178.35 3dfy h LYS 255 N -0.04 0.83 -0.11 1.57 1.57 -0.88 -0.90 116.57 118.61 3dfy h LYS 255 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dfy h LYS 255 Cb 0.32 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3dfy h LYS 255 CO 0.00 0.55 0.00 0.39 -0.57 0.00 0.00 179.45 179.82 3dfy n GLU 256 N -4.50 1.73 -3.94 3.15 1.02 -0.50 -4.94 120.64 112.67 3dfy n GLU 256 Ca 0.13 -1.09 -0.25 0.00 -0.02 0.00 0.00 57.16 55.93 3dfy n GLU 256 Cb 0.25 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 3dfy n GLU 256 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dfy n GLU 257 N 0.31 -3.48 0.08 3.49 1.02 -0.34 -4.90 120.64 116.81 3dfy n GLU 257 Ca 0.17 0.43 -0.18 0.00 -0.02 0.00 0.00 57.16 57.55 3dfy n GLU 257 Cb 0.35 -4.62 -0.14 0.00 -0.02 0.00 0.00 31.44 27.00 3dfy n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dfy h ALA 258 N 0.84 0.20 -2.38 0.62 0.00 -1.50 -3.45 119.26 113.59 3dfy h ALA 258 Ca -0.63 -1.07 -0.29 0.00 0.00 0.00 0.00 54.91 52.92 3dfy h ALA 258 Cb 1.37 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 19.29 3dfy h ALA 258 CO 0.62 1.07 -0.63 0.14 0.00 0.00 0.00 179.25 180.45 3dfy s VAL 259 N -2.61 0.41 -0.13 0.00 -7.23 -1.26 -3.28 120.40 106.30 3dfy s VAL 259 Ca -0.10 -1.98 0.14 0.00 -1.81 0.00 0.00 61.98 58.23 3dfy s VAL 259 Cb 0.06 -2.37 -0.24 0.00 0.56 0.00 0.00 36.38 34.39 3dfy s VAL 259 CO 0.86 -0.21 0.33 0.47 -0.31 0.00 0.00 175.10 176.25 3dfy n ASP 260 N -0.31 0.53 -4.26 4.85 8.00 -0.30 -4.96 116.55 120.11 3dfy n ASP 260 Ca -0.02 0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 3dfy n ASP 260 Cb 0.65 0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 42.06 3dfy n ASP 260 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dfy s TYR 261 N -2.54 1.29 -0.05 1.24 1.51 -0.44 -1.15 117.35 117.21 3dfy s TYR 261 Ca -0.09 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 3dfy s TYR 261 Cb 0.07 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 3dfy s TYR 261 CO 0.82 0.07 -0.06 0.08 -1.11 0.00 0.00 175.55 175.34 3dfy s VAL 262 N -3.34 0.65 -0.47 0.71 1.01 -0.89 -1.45 120.40 116.62 3dfy s VAL 262 Ca 0.18 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 3dfy s VAL 262 Cb 0.03 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.81 3dfy s VAL 262 CO 0.01 0.25 0.52 0.21 0.00 0.00 0.00 175.10 176.09 3dfy s ASN 263 N 0.82 6.20 0.05 3.32 2.47 0.35 -2.00 114.94 126.15 3dfy s ASN 263 Ca -0.12 -0.94 -0.24 0.00 0.42 0.00 0.00 52.86 51.97 3dfy s ASN 263 Cb -0.15 -2.25 -0.06 0.00 -1.45 0.00 0.00 41.25 37.35 3dfy s ASN 263 CO 0.01 -0.74 0.73 -0.63 -3.72 0.00 0.00 177.10 172.75 3dfy s ILE 264 N 2.25 4.72 -0.06 -5.21 1.01 0.34 -4.68 121.20 119.58 3dfy s ILE 264 Ca 0.12 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.34 3dfy s ILE 264 Cb -0.20 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.21 3dfy s ILE 264 CO 0.11 0.39 -0.07 -0.54 0.00 0.00 0.00 174.94 174.84 3dfy s LYS 265 N -0.21 1.12 0.50 2.79 1.02 -1.26 -0.41 119.74 123.28 3dfy s LYS 265 Ca 0.37 -0.19 0.19 0.00 0.02 0.00 0.00 55.97 56.35 3dfy s LYS 265 Cb -0.20 -1.07 1.27 0.00 -0.52 0.00 0.00 37.83 37.31 3dfy s LYS 265 CO 0.22 -0.08 2.10 -0.07 -0.92 0.00 0.00 175.35 176.60 3dfy h LEU 266 N 7.27 0.00 -1.13 3.17 3.38 -1.87 -1.08 115.31 125.05 3dfy h LEU 266 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3dfy h LEU 266 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dfy h LEU 266 CO 0.45 0.08 0.00 0.24 0.09 0.00 0.00 178.44 179.30 3dfy h MET 267 N 0.00 0.00 0.00 1.13 2.86 -1.92 0.26 114.93 117.26 3dfy h MET 267 Ca -0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.25 3dfy h MET 267 Cb 0.16 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 3dfy h MET 267 CO 0.01 0.00 -2.48 1.63 1.06 0.00 0.00 176.91 177.13 3dfy n LYS 268 N -2.44 0.65 -0.02 1.72 5.02 -0.46 -2.85 118.16 119.78 3dfy n LYS 268 Ca 0.01 0.15 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 3dfy n LYS 268 Cb 0.19 -1.52 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 3dfy n LYS 268 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dfy n SER 269 N -3.26 1.58 -0.08 4.39 7.64 -0.91 -4.70 113.62 118.28 3dfy n SER 269 Ca -0.46 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.43 3dfy n SER 269 Cb 0.99 1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 65.71 3dfy n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dfy n GLY 270 N 1.75 -1.55 0.24 0.23 0.00 0.91 -3.44 105.19 103.32 3dfy n GLY 270 Ca -0.07 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 3dfy n GLY 270 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dfy h ILE 271 N -0.07 1.28 0.78 -0.61 1.08 -1.83 -2.70 117.51 115.45 3dfy h ILE 271 Ca -0.00 -1.54 -0.03 0.00 -0.39 0.00 0.00 64.86 62.89 3dfy h ILE 271 Cb 0.07 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 3dfy h ILE 271 CO 0.00 0.51 -0.50 0.77 -0.69 0.00 0.00 178.15 178.24 3dfy h SER 272 N 0.62 -1.27 -0.16 1.72 4.64 -1.94 -0.90 113.55 116.26 3dfy h SER 272 Ca 0.05 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3dfy h SER 272 Cb 0.96 0.38 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3dfy h SER 272 CO 0.09 -0.76 0.02 0.44 -0.87 0.00 0.00 176.83 175.75 3dfy h ASP 273 N -1.20 0.34 -0.59 4.97 5.19 -1.68 -2.15 116.42 121.30 3dfy h ASP 273 Ca -0.10 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 3dfy h ASP 273 Cb 0.97 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 3dfy h ASP 273 CO 0.09 0.38 0.30 0.00 -3.12 0.00 0.00 179.24 176.89 3dfy h ALA 274 N 1.67 0.76 -0.72 3.45 0.00 -1.25 0.22 119.26 123.38 3dfy h ALA 274 Ca 0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dfy h ALA 274 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3dfy h ALA 274 CO 0.00 0.31 0.21 -0.07 0.00 0.00 0.00 179.25 179.70 3dfy h LEU 275 N 0.81 1.06 -0.71 0.00 3.38 -0.62 -1.71 115.31 117.53 3dfy h LEU 275 Ca 0.21 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3dfy h LEU 275 Cb 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3dfy h LEU 275 CO -0.03 1.00 0.21 0.00 0.09 0.00 0.00 178.44 179.71 3dfy h ALA 276 N 1.14 0.93 -0.71 1.53 0.00 -0.80 -2.58 119.26 118.77 3dfy h ALA 276 Ca 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dfy h ALA 276 Cb 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3dfy h ALA 276 CO -0.00 0.61 0.25 0.82 0.00 0.00 0.00 179.25 180.93 3dfy h ILE 277 N 1.04 1.25 -0.42 0.00 2.04 -0.22 -0.50 117.51 120.70 3dfy h ILE 277 Ca 0.23 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3dfy h ILE 277 Cb 0.31 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3dfy h ILE 277 CO -0.01 0.33 0.22 0.58 0.00 0.00 0.00 178.15 179.27 3dfy h VAL 278 N 1.03 1.16 -0.47 1.67 2.07 -1.02 -0.17 116.25 120.53 3dfy h VAL 278 Ca 0.23 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3dfy h VAL 278 Cb 0.24 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3dfy h VAL 278 CO -0.01 0.17 -0.08 -0.33 0.02 0.00 0.00 177.57 177.33 3dfy h GLU 279 N 0.54 0.83 -0.31 1.57 4.39 -1.14 -1.35 114.58 119.10 3dfy h GLU 279 Ca 0.15 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3dfy h GLU 279 Cb 0.07 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3dfy h GLU 279 CO -0.02 0.88 0.01 0.82 -1.16 0.00 0.00 179.01 179.54 3dfy h ILE 280 N 0.75 1.25 -0.39 3.13 2.04 -0.83 -2.47 117.51 121.00 3dfy h ILE 280 Ca 0.13 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3dfy h ILE 280 Cb 0.57 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3dfy h ILE 280 CO 0.04 0.30 0.20 0.00 0.00 0.00 0.00 178.15 178.69 3dfy h ALA 281 N 0.85 0.50 0.00 1.87 0.00 -0.84 -2.19 119.26 119.44 3dfy h ALA 281 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dfy h ALA 281 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dfy h ALA 281 CO 0.01 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.70 3dfy n GLU 282 N -4.72 0.24 -0.07 0.00 1.02 -0.52 -1.67 120.64 114.92 3dfy n GLU 282 Ca -0.00 0.11 0.08 0.00 -0.02 0.00 0.00 57.16 57.33 3dfy n GLU 282 Cb 0.10 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.13 3dfy n GLU 282 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dfy n SER 283 N -1.32 2.65 -0.16 1.62 7.64 -0.86 -4.58 113.62 118.61 3dfy n SER 283 Ca 0.09 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.20 3dfy n SER 283 Cb 0.17 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3dfy n SER 283 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dfy n SER 284 N 0.96 0.16 -0.64 6.43 3.41 -0.87 -5.02 113.62 118.05 3dfy n SER 284 Ca 0.12 -1.42 -0.07 0.00 -0.26 0.00 0.00 58.87 57.24 3dfy n SER 284 Cb 0.44 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3dfy n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 285 N -0.06 0.64 3.81 5.00 0.00 -1.03 -5.01 105.19 108.54 3dfy n GLY 285 Ca 0.00 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 3dfy n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dfy s LEU 286 N -1.78 4.40 0.33 0.99 2.96 -0.67 -5.00 118.68 119.91 3dfy s LEU 286 Ca 0.00 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 3dfy s LEU 286 Cb 0.00 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 3dfy s LEU 286 CO 0.00 0.27 0.54 -0.54 -1.32 0.00 0.00 176.35 175.29 3dfy s LYS 287 N -0.63 3.50 0.08 1.98 -0.14 -0.30 -4.43 119.74 119.79 3dfy s LYS 287 Ca 0.21 -0.32 0.04 0.00 -1.36 0.00 0.00 55.97 54.54 3dfy s LYS 287 Cb -0.15 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 3dfy s LYS 287 CO 0.10 0.17 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.25 3dfy s LEU 288 N -4.20 2.35 0.05 3.17 1.43 -1.26 -2.09 118.68 118.13 3dfy s LEU 288 Ca 0.40 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3dfy s LEU 288 Cb -0.10 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 3dfy s LEU 288 CO 0.35 -0.21 -0.05 0.00 0.23 0.00 0.00 176.35 176.68 3dfy s MET 289 N -2.35 0.59 -0.10 1.70 0.23 -0.85 -1.07 119.30 117.44 3dfy s MET 289 Ca 0.01 -1.05 0.02 0.00 -1.03 0.00 0.00 55.69 53.64 3dfy s MET 289 Cb -0.06 0.02 0.01 0.00 -1.53 0.00 0.00 34.83 33.27 3dfy s MET 289 CO 0.01 -0.05 -0.18 -1.50 -2.03 0.00 0.00 175.02 171.27 3dfy s ILE 290 N -2.96 1.65 0.00 3.16 2.07 -1.00 -0.51 121.20 123.61 3dfy s ILE 290 Ca 0.01 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.50 3dfy s ILE 290 Cb 0.01 -1.47 0.00 0.00 0.13 0.00 0.00 42.46 41.13 3dfy s ILE 290 CO -0.05 0.47 0.00 0.61 -1.91 0.00 0.00 174.94 174.06 3dfy n GLY 291 N 3.96 5.99 3.81 1.50 0.00 0.45 -0.20 105.19 120.71 3dfy n GLY 291 Ca -0.20 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 3dfy n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n MET 293 N -0.51 0.00 -1.15 0.00 2.81 -1.26 -4.99 117.12 112.02 3dfy n MET 293 Ca -0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.81 3dfy n MET 293 Cb 0.60 0.00 0.13 0.00 -0.71 0.00 0.00 33.22 33.24 3dfy n MET 293 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dfy n GLY 294 N 4.62 4.70 3.73 3.03 0.00 -1.26 -4.77 105.19 115.24 3dfy n GLY 294 Ca 0.00 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 3dfy n GLY 294 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dfy n GLU 295 N -0.78 1.90 -0.95 1.61 4.71 -1.26 -4.90 120.64 120.97 3dfy n GLU 295 Ca 0.22 0.69 -0.07 0.00 -0.01 0.00 0.00 57.16 57.99 3dfy n GLU 295 Cb 0.82 -2.53 0.04 0.00 -1.01 0.00 0.00 31.44 28.76 3dfy n GLU 295 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3dfy n SER 296 N -0.43 0.26 -0.09 1.62 3.41 -1.26 -2.86 113.62 114.27 3dfy n SER 296 Ca 0.08 -1.26 0.02 0.00 -0.26 0.00 0.00 58.87 57.46 3dfy n SER 296 Cb 0.42 -0.22 0.35 0.00 -0.26 0.00 0.00 64.21 64.50 3dfy n SER 296 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dfy h SER 297 N -0.28 0.64 0.10 4.04 4.64 -1.93 0.28 113.55 121.04 3dfy h SER 297 Ca -0.10 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 3dfy h SER 297 Cb 0.34 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3dfy h SER 297 CO 0.09 0.47 -0.42 0.25 -0.87 0.00 0.00 176.83 176.35 3dfy h LEU 298 N 0.75 0.43 -0.09 5.97 6.46 -1.94 -2.01 115.31 124.89 3dfy h LEU 298 Ca 0.20 -0.19 -0.17 0.00 -0.12 0.00 0.00 57.88 57.60 3dfy h LEU 298 Cb -0.08 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 39.74 3dfy h LEU 298 CO -0.04 0.81 -0.60 1.23 -0.62 0.00 0.00 178.44 179.21 3dfy h GLY 299 N 1.15 0.63 2.00 3.75 0.00 -1.66 -3.14 103.07 105.81 3dfy h GLY 299 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 3dfy h GLY 299 CO 0.07 0.83 -0.20 1.19 0.00 0.00 0.00 176.54 178.43 3dfy h ILE 300 N 0.18 0.97 -0.81 2.60 6.09 -0.94 -1.00 117.51 124.61 3dfy h ILE 300 Ca -0.05 -0.71 0.18 0.00 -1.37 0.00 0.00 64.86 62.92 3dfy h ILE 300 Cb 1.26 1.40 -0.05 0.00 0.47 0.00 0.00 36.82 39.89 3dfy h ILE 300 CO 0.12 0.19 0.55 -1.13 -3.07 0.00 0.00 178.15 174.81 3dfy h ASN 301 N 0.00 0.32 -0.53 2.19 -1.24 -1.30 -0.17 115.58 114.84 3dfy h ASN 301 Ca -0.00 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 3dfy h ASN 301 Cb 0.38 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 3dfy h ASN 301 CO 0.03 0.15 0.27 1.56 -1.29 0.00 0.00 177.43 178.14 3dfy h GLN 302 N 0.33 0.76 0.01 6.67 4.20 -1.28 -1.69 115.11 124.11 3dfy h GLN 302 Ca 0.41 -0.11 -0.19 0.00 0.06 0.00 0.00 58.65 58.82 3dfy h GLN 302 Cb 1.09 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3dfy h GLN 302 CO -0.12 0.62 -0.89 0.77 -0.67 0.00 0.00 178.83 178.54 3dfy h SER 303 N 0.72 0.06 -0.20 1.46 0.02 -1.23 -2.56 113.55 111.81 3dfy h SER 303 Ca 0.18 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3dfy h SER 303 Cb 0.10 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3dfy h SER 303 CO -0.02 0.92 0.07 0.58 -1.14 0.00 0.00 176.83 177.23 3dfy h VAL 304 N 0.02 1.18 -0.64 2.27 2.07 -0.86 0.16 116.25 120.45 3dfy h VAL 304 Ca -0.02 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3dfy h VAL 304 Cb 1.57 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3dfy h VAL 304 CO 0.12 0.18 0.21 0.45 0.02 0.00 0.00 177.57 178.55 3dfy h HIS 305 N 0.16 1.00 -0.11 1.57 -0.00 -1.36 0.05 115.15 116.46 3dfy h HIS 305 Ca 0.07 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3dfy h HIS 305 Cb 0.22 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 3dfy h HIS 305 CO -0.00 0.79 0.04 0.35 -0.00 0.00 0.00 177.93 179.11 3dfy h PHE 306 N 0.94 0.17 -0.56 2.45 3.57 -1.11 -0.76 116.94 121.65 3dfy h PHE 306 Ca 0.21 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3dfy h PHE 306 Cb 0.25 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3dfy h PHE 306 CO 0.02 0.29 0.15 0.00 -2.23 0.00 0.00 178.31 176.54 3dfy h ALA 307 N 0.86 0.74 -0.17 2.41 0.00 -0.44 -2.00 119.26 120.66 3dfy h ALA 307 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3dfy h ALA 307 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dfy h ALA 307 CO -0.00 0.42 0.03 -0.07 0.00 0.00 0.00 179.25 179.64 3dfy h LEU 308 N 0.79 0.27 0.05 0.00 3.38 -0.93 0.44 115.31 119.31 3dfy h LEU 308 Ca 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dfy h LEU 308 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3dfy h LEU 308 CO -0.00 0.45 -0.03 1.23 0.09 0.00 0.00 178.44 180.18 3dfy h GLY 309 N 0.07 -0.07 1.79 0.83 0.00 -1.12 0.36 103.07 104.93 3dfy h GLY 309 Ca 0.05 0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.19 3dfy h GLY 309 CO 0.00 -0.03 -1.01 -0.91 0.00 0.00 0.00 176.54 174.60 3dfy h THR 310 N -0.27 1.55 -2.61 4.70 1.35 -1.45 -0.49 112.91 115.69 3dfy h THR 310 Ca -0.01 -2.93 -0.32 0.00 -0.55 0.00 0.00 66.41 62.60 3dfy h THR 310 Cb 0.24 2.69 -0.06 0.00 -1.73 0.00 0.00 68.15 69.29 3dfy h THR 310 CO 0.01 0.85 -0.36 0.61 -0.25 0.00 0.00 175.52 176.38 3dfy n GLY 311 N 1.17 0.29 0.10 5.82 0.00 0.15 -4.79 105.19 107.93 3dfy n GLY 311 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3dfy n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n ALA 312 N -0.99 2.69 -2.71 4.61 0.00 -1.26 -4.92 120.51 117.93 3dfy n ALA 312 Ca -0.18 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 3dfy n ALA 312 Cb 0.59 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 3dfy n ALA 312 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dfy s PHE 313 N -2.38 3.14 0.07 0.00 0.08 -1.26 -4.48 117.98 113.15 3dfy s PHE 313 Ca 0.33 0.13 -0.14 0.00 0.12 0.00 0.00 56.93 57.36 3dfy s PHE 313 Cb 0.20 -1.82 -0.24 0.00 -0.57 0.00 0.00 43.02 40.59 3dfy s PHE 313 CO 0.45 0.39 1.17 0.93 -0.10 0.00 0.00 175.22 178.06 3dfy h GLU 314 N 5.41 0.69 -5.33 0.44 4.39 -1.46 -3.46 114.58 115.26 3dfy h GLU 314 Ca -0.48 -0.76 -0.40 0.00 0.34 0.00 0.00 59.36 58.05 3dfy h GLU 314 Cb 1.19 0.22 -0.20 0.00 -0.10 0.00 0.00 28.75 29.87 3dfy h GLU 314 CO 0.56 1.33 -0.76 -0.06 -1.16 0.00 0.00 179.01 178.92 3dfy s PHE 315 N -3.26 1.27 -0.13 4.33 0.08 -1.24 -5.06 117.98 113.96 3dfy s PHE 315 Ca -0.10 -0.53 -0.00 0.00 0.12 0.00 0.00 56.93 56.42 3dfy s PHE 315 Cb 0.07 -0.69 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 3dfy s PHE 315 CO 0.92 0.08 -0.09 -1.01 -0.10 0.00 0.00 175.22 175.02 3dfy s HIS 316 N -1.78 1.72 -0.85 0.36 3.76 -1.25 -2.38 115.29 114.87 3dfy s HIS 316 Ca 0.03 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.03 3dfy s HIS 316 Cb -0.07 -1.36 0.27 0.00 1.11 0.00 0.00 32.58 32.53 3dfy s HIS 316 CO 0.02 -0.57 1.06 -3.47 -0.85 0.00 0.00 174.74 170.93 3dfy n ASP 317 N 4.88 4.94 -3.49 1.40 2.03 0.72 -0.84 116.55 126.20 3dfy n ASP 317 Ca -0.14 -3.40 -0.30 0.00 0.52 0.00 0.00 54.79 51.47 3dfy n ASP 317 Cb 0.50 -0.97 -0.06 0.00 -0.72 0.00 0.00 41.12 39.87 3dfy n ASP 317 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dfy n LEU 318 N 1.21 4.37 0.00 -2.67 4.77 -1.26 -3.38 117.00 120.04 3dfy n LEU 318 Ca 0.27 -5.42 0.00 0.00 -0.03 0.00 0.00 56.01 50.83 3dfy n LEU 318 Cb 0.37 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3dfy n LEU 318 CO 0.54 2.02 0.44 -0.90 -1.33 0.00 0.00 177.39 178.16 3dfy n ASP 319 N 0.83 1.74 -0.21 -1.43 5.75 -1.26 -4.76 116.55 117.21 3dfy n ASP 319 Ca 0.30 -1.77 0.05 0.00 -0.01 0.00 0.00 54.79 53.36 3dfy n ASP 319 Cb 0.39 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.80 3dfy n ASP 319 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3dfy h SER 320 N 0.00 0.73 1.12 -1.12 4.64 -1.86 -0.07 113.55 116.99 3dfy h SER 320 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dfy h SER 320 Cb 0.41 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3dfy h SER 320 CO 0.00 0.48 0.00 0.00 -0.87 0.00 0.00 176.83 176.44 3dfy n HIS 321 N -4.48 0.89 0.07 4.77 1.44 -1.13 -2.65 115.22 114.13 3dfy n HIS 321 Ca 0.11 0.30 0.04 0.00 -2.01 0.00 0.00 57.72 56.17 3dfy n HIS 321 Cb 0.20 -0.99 -0.04 0.00 0.12 0.00 0.00 29.99 29.29 3dfy n HIS 321 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3dfy h LEU 322 N 0.00 0.00 -0.02 2.39 3.38 -1.37 -3.28 115.31 116.41 3dfy h LEU 322 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dfy h LEU 322 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3dfy h LEU 322 CO 0.00 0.37 0.00 0.24 0.09 0.00 0.00 178.44 179.14 3dfy h MET 323 N 0.00 0.00 0.00 1.13 2.86 -1.15 -3.48 114.93 114.29 3dfy h MET 323 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3dfy h MET 323 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 3dfy h MET 323 CO 0.03 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.28 3dfy n LEU 324 N -2.51 0.00 -4.49 1.22 4.77 -1.17 -1.07 117.00 113.75 3dfy n LEU 324 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 3dfy n LEU 324 Cb 0.46 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3dfy n LEU 324 CO 0.31 0.00 0.21 0.55 -1.33 0.00 0.00 177.39 177.13 3dfy n VAL 328 N 0.00 1.89 -2.08 4.08 3.14 -1.26 -4.63 118.33 119.47 3dfy n VAL 328 Ca 0.00 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.46 3dfy n VAL 328 Cb 0.00 -0.62 -0.03 0.00 -1.06 0.00 0.00 33.84 32.13 3dfy n VAL 328 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3dfy s PHE 329 N -1.30 3.04 -0.05 1.45 5.36 -1.26 -4.91 117.98 120.30 3dfy s PHE 329 Ca 0.62 0.77 0.08 0.00 -0.96 0.00 0.00 56.93 57.44 3dfy s PHE 329 Cb -0.66 -3.78 0.12 0.00 -0.34 0.00 0.00 43.02 38.35 3dfy s PHE 329 CO 0.58 -2.86 1.02 0.54 -1.46 0.00 0.00 175.22 173.04 3dfy n ARG 330 N 4.35 1.72 -2.44 10.12 1.74 -1.26 -5.05 116.66 125.83 3dfy n ARG 330 Ca 0.13 -1.81 -0.25 0.00 -0.77 0.00 0.00 57.85 55.15 3dfy n ARG 330 Cb 0.41 -1.11 0.04 0.00 -1.02 0.00 0.00 32.46 30.78 3dfy n ARG 330 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dfy s GLY 331 N -1.69 1.68 -0.68 -0.13 0.00 -1.25 -4.13 107.32 101.12 3dfy s GLY 331 Ca 0.13 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3dfy s GLY 331 CO 0.01 -0.63 1.38 0.28 0.00 0.00 0.00 173.10 174.14 3dfy n LYS 332 N -2.60 3.64 -3.89 2.90 5.02 -1.26 -4.98 118.16 116.98 3dfy n LYS 332 Ca 0.06 -4.45 -0.08 0.00 -2.02 0.00 0.00 58.31 51.81 3dfy n LYS 332 Cb 0.59 -2.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.29 3dfy n LYS 332 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3dfy s PHE 333 N -3.78 0.11 -0.26 2.13 -0.12 -1.26 -4.70 117.98 110.09 3dfy s PHE 333 Ca 0.47 -0.58 -0.09 0.00 -0.05 0.00 0.00 56.93 56.68 3dfy s PHE 333 Cb 0.33 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.25 3dfy s PHE 333 CO -0.21 -1.26 0.13 0.42 -0.05 0.00 0.00 175.22 174.25 3dfy s ILE 334 N -3.46 4.89 -0.30 -4.49 1.01 0.11 -4.93 121.20 114.03 3dfy s ILE 334 Ca 0.16 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 3dfy s ILE 334 Cb -0.04 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3dfy s ILE 334 CO 0.10 0.30 0.37 -1.58 0.00 0.00 0.00 174.94 174.13 3dfy s GLN 335 N 1.58 3.82 -0.47 2.79 2.00 -1.26 -0.51 119.66 127.61 3dfy s GLN 335 Ca 0.07 -0.16 0.03 0.00 -2.00 0.00 0.00 55.36 53.29 3dfy s GLN 335 Cb -0.15 -3.72 0.14 0.00 0.80 0.00 0.00 33.01 30.08 3dfy s GLN 335 CO 0.07 -0.39 0.27 0.34 -0.50 0.00 0.00 175.29 175.08 3dfy s ASP 336 N 1.69 3.72 1.83 6.67 -1.08 0.20 -5.01 116.67 124.70 3dfy s ASP 336 Ca 0.14 -2.81 0.00 0.00 -0.52 0.00 0.00 52.55 49.35 3dfy s ASP 336 Cb -0.16 -1.14 0.00 0.00 -1.46 0.00 0.00 42.92 40.16 3dfy s ASP 336 CO 0.11 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.17 3dfy n GLY 337 N 3.31 3.08 0.16 2.66 0.00 -1.26 -0.76 105.19 112.38 3dfy n GLY 337 Ca 0.10 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3dfy n GLY 337 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dfy n PRO 338 N 13.66 1.22 -3.96 1.61 -0.04 -1.26 -4.87 135.00 141.36 3dfy n PRO 338 Ca 0.00 -0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 62.79 3dfy n PRO 338 Cb 0.00 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 3dfy n PRO 338 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3dfy s ARG 339 N -1.99 3.34 -0.12 0.54 0.52 0.06 -1.13 118.95 120.18 3dfy s ARG 339 Ca 0.42 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 3dfy s ARG 339 Cb 0.20 -3.08 0.01 0.00 0.52 0.00 0.00 34.95 32.60 3dfy s ARG 339 CO 0.34 0.72 -0.22 -1.64 0.02 0.00 0.00 175.30 174.51 3dfy s MET 340 N -1.43 2.94 0.14 3.54 -1.94 0.17 0.59 119.30 123.32 3dfy s MET 340 Ca 0.20 -0.83 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 3dfy s MET 340 Cb -0.12 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 3dfy s MET 340 CO 0.10 0.07 -0.14 0.50 -0.01 0.00 0.00 175.02 175.55 3dfy s ARG 341 N 0.61 1.09 0.24 2.03 3.52 0.34 -1.74 118.95 125.04 3dfy s ARG 341 Ca -0.12 -1.34 -0.30 0.00 -0.13 0.00 0.00 55.73 53.84 3dfy s ARG 341 Cb -0.17 -0.90 -0.09 0.00 -1.56 0.00 0.00 34.95 32.23 3dfy s ARG 341 CO 0.03 0.16 0.95 0.54 -0.81 0.00 0.00 175.30 176.17 3dfy s VAL 342 N -2.49 4.04 -2.27 7.11 0.11 -1.09 0.05 120.40 125.87 3dfy s VAL 342 Ca 0.13 2.05 0.30 0.00 -2.93 0.00 0.00 61.98 61.53 3dfy s VAL 342 Cb -0.03 -4.31 0.72 0.00 -1.53 0.00 0.00 36.38 31.23 3dfy s VAL 342 CO 0.03 0.49 1.97 1.17 -3.33 0.00 0.00 175.10 175.43