#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 3.92 -0.28 0.55 1.01 -0.32 -1.04 121.20 125.04 3dfy s ILE 4 Ca 0.00 1.34 0.10 0.00 0.00 0.00 0.00 60.65 62.09 3dfy s ILE 4 Cb 0.00 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 3dfy s ILE 4 CO 0.00 0.06 0.34 1.33 0.00 0.00 0.00 174.94 176.67 3dfy n VAL 5 N 4.24 0.00 -3.61 2.92 0.24 0.21 -0.42 118.33 121.91 3dfy n VAL 5 Ca 0.11 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 3dfy n VAL 5 Cb 0.45 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.48 -0.66 -0.07 -1.34 2.47 -0.94 -4.95 114.94 106.98 3dfy s ASN 6 Ca 0.01 1.16 0.02 0.00 0.42 0.00 0.00 52.86 54.46 3dfy s ASN 6 Cb 0.07 1.14 0.02 0.00 -1.45 0.00 0.00 41.25 41.02 3dfy s ASN 6 CO 0.42 -0.30 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.70 3dfy s VAL 7 N 0.00 1.10 -0.03 -5.21 1.01 -1.26 -0.45 120.40 115.56 3dfy s VAL 7 Ca -0.01 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3dfy s VAL 7 Cb -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3dfy s VAL 7 CO 0.01 0.35 -0.05 -0.75 0.00 0.00 0.00 175.10 174.67 3dfy s LYS 8 N 0.84 0.70 0.02 2.72 2.47 -0.33 -4.85 119.74 121.31 3dfy s LYS 8 Ca -0.11 -0.12 -0.01 0.00 -1.56 0.00 0.00 55.97 54.17 3dfy s LYS 8 Cb -0.15 -0.72 -0.04 0.00 -1.46 0.00 0.00 37.83 35.46 3dfy s LYS 8 CO 0.02 -0.03 0.18 -0.51 0.16 0.00 0.00 175.35 175.17 3dfy s LEU 9 N 0.66 4.31 -0.08 5.43 1.02 -1.26 -1.39 118.68 127.37 3dfy s LEU 9 Ca -0.08 0.29 -0.09 0.00 0.02 0.00 0.00 54.13 54.26 3dfy s LEU 9 Cb -0.12 -2.71 0.02 0.00 0.02 0.00 0.00 46.19 43.40 3dfy s LEU 9 CO -0.00 0.23 0.25 -0.44 0.02 0.00 0.00 176.35 176.41 3dfy s SER 10 N -2.15 -0.23 -0.26 2.29 0.01 -0.62 -4.96 113.70 107.78 3dfy s SER 10 Ca 0.30 0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.83 3dfy s SER 10 Cb -0.13 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 3dfy s SER 10 CO 0.22 -0.15 0.32 -0.22 0.41 0.00 0.00 173.24 173.83 3dfy s LEU 11 N -0.13 4.06 -0.06 2.44 2.96 -1.26 0.12 118.68 126.81 3dfy s LEU 11 Ca -0.03 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3dfy s LEU 11 Cb -0.03 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.32 3dfy s LEU 11 CO 0.01 -0.12 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.24 3dfy s LYS 12 N 1.81 1.83 -0.07 1.98 1.02 -0.39 -4.99 119.74 120.92 3dfy s LYS 12 Ca 0.13 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 3dfy s LYS 12 Cb -0.15 -1.51 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 3dfy s LYS 12 CO 0.09 0.09 0.07 0.50 -0.92 0.00 0.00 175.35 175.19 3dfy s ARG 13 N 0.49 3.17 -0.05 1.68 3.52 -1.26 -1.50 118.95 125.00 3dfy s ARG 13 Ca -0.13 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 3dfy s ARG 13 Cb -0.15 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.31 3dfy s ARG 13 CO 0.04 0.71 -0.08 0.71 -0.81 0.00 0.00 175.30 175.87 3dfy s TYR 14 N -1.03 1.02 -0.12 5.12 2.02 0.28 -4.99 117.35 119.65 3dfy s TYR 14 Ca 0.17 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.44 3dfy s TYR 14 Cb -0.12 -0.80 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 3dfy s TYR 14 CO 0.07 -0.20 0.26 -1.21 -1.57 0.00 0.00 175.55 172.90 3dfy s GLU 15 N 0.67 3.93 0.62 -0.62 2.02 -1.26 0.85 118.70 124.90 3dfy s GLU 15 Ca -0.11 0.07 -0.13 0.00 0.02 0.00 0.00 54.97 54.82 3dfy s GLU 15 Cb -0.14 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3dfy s GLU 15 CO 0.02 0.51 1.03 0.71 0.02 0.00 0.00 175.26 177.54 3dfy s TYR 16 N -0.33 3.37 0.26 1.61 2.02 -0.75 -4.47 117.35 119.06 3dfy s TYR 16 Ca 0.17 1.39 0.16 0.00 -0.37 0.00 0.00 57.07 58.41 3dfy s TYR 16 Cb -0.13 -2.81 0.65 0.00 -0.40 0.00 0.00 41.96 39.26 3dfy s TYR 16 CO 0.05 -0.82 1.74 1.49 -1.57 0.00 0.00 175.55 176.44 3dfy h GLU 17 N -0.08 0.00 -3.03 -0.62 4.57 -1.82 -3.46 114.58 110.13 3dfy h GLU 17 Ca -0.45 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3dfy h GLU 17 Cb 1.20 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.66 3dfy h GLU 17 CO 0.60 0.43 0.15 0.15 -1.18 0.00 0.00 179.01 179.16 3dfy s LYS 18 N -3.77 1.22 0.31 1.92 -0.14 -1.26 -5.14 119.74 112.88 3dfy s LYS 18 Ca -0.01 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 3dfy s LYS 18 Cb 0.12 0.56 -0.12 0.00 -1.68 0.00 0.00 37.83 36.72 3dfy s LYS 18 CO 0.71 -0.52 1.54 -2.30 -0.76 0.00 0.00 175.35 174.02 3dfy n PRO 19 N -0.28 2.62 -3.65 -1.68 -0.02 -1.26 -4.82 135.00 125.91 3dfy n PRO 19 Ca -0.17 0.93 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 3dfy n PRO 19 Cb 0.64 -2.68 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 3dfy n PRO 19 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3dfy s PHE 20 N -0.32 3.17 -0.12 6.00 5.36 0.28 -4.92 117.98 127.43 3dfy s PHE 20 Ca 0.61 -0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 56.17 3dfy s PHE 20 Cb -0.51 -2.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 3dfy s PHE 20 CO 0.53 -0.38 -0.08 -1.58 -1.46 0.00 0.00 175.22 172.25 3dfy s HIS 21 N 1.65 2.92 0.21 10.12 5.65 -1.26 -0.78 115.29 133.81 3dfy s HIS 21 Ca 0.05 -0.29 -0.00 0.00 0.25 0.00 0.00 55.06 55.07 3dfy s HIS 21 Cb -0.17 -1.84 -0.04 0.00 -1.18 0.00 0.00 32.58 29.35 3dfy s HIS 21 CO 0.07 0.03 0.14 0.96 -0.65 0.00 0.00 174.74 175.29 3dfy s ILE 22 N -0.03 0.06 -0.19 0.89 -4.36 -0.35 -1.25 121.20 115.97 3dfy s ILE 22 Ca -0.01 -2.00 -0.33 0.00 -0.26 0.00 0.00 60.65 58.05 3dfy s ILE 22 Cb -0.14 -2.51 -0.10 0.00 1.25 0.00 0.00 42.46 40.96 3dfy s ILE 22 CO 0.03 0.00 2.05 0.41 0.24 0.00 0.00 174.94 177.67 3dfy n THR 23 N -0.31 0.43 -2.73 8.37 -1.04 -1.26 -1.89 114.28 115.85 3dfy n THR 23 Ca 0.02 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.05 61.68 3dfy n THR 23 Cb 0.66 -1.98 0.02 0.00 -1.82 0.00 0.00 70.33 67.21 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 5.29 0.08 0.00 3.41 0.00 -1.26 -4.97 105.19 107.74 3dfy n GLY 24 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3dfy n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dfy n SER 25 N -0.54 0.00 -3.76 1.61 2.88 -0.79 -5.10 113.62 107.93 3dfy n SER 25 Ca -0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 3dfy n SER 25 Cb 0.56 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.90 3dfy n SER 25 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3dfy s VAL 26 N -1.95 -0.01 0.04 2.46 1.01 -1.26 -1.21 120.40 119.48 3dfy s VAL 26 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3dfy s VAL 26 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3dfy s VAL 26 CO 0.00 0.01 -0.09 -0.44 0.00 0.00 0.00 175.10 174.58 3dfy s SER 27 N 0.48 1.04 0.00 3.32 0.01 0.04 -4.94 113.70 113.66 3dfy s SER 27 Ca -0.03 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.75 3dfy s SER 27 Cb -0.04 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.18 3dfy s SER 27 CO -0.02 -0.11 0.03 -1.54 0.41 0.00 0.00 173.24 172.01 3dfy n SER 28 N 1.72 0.07 -3.71 2.44 3.41 -1.26 0.98 113.62 117.27 3dfy n SER 28 Ca -0.20 -0.38 -0.10 0.00 -0.26 0.00 0.00 58.87 57.92 3dfy n SER 28 Cb 0.55 0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 64.98 3dfy n SER 28 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3dfy s GLU 29 N -0.54 0.96 -0.16 4.33 -1.05 -1.26 -1.81 118.70 119.16 3dfy s GLU 29 Ca 0.00 -0.70 0.01 0.00 -0.15 0.00 0.00 54.97 54.13 3dfy s GLU 29 Cb 0.00 0.41 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 3dfy s GLU 29 CO 0.00 -0.34 -0.16 0.45 0.95 0.00 0.00 175.26 176.16 3dfy s SER 30 N -2.61 2.81 -0.43 0.83 0.15 0.25 -4.92 113.70 109.78 3dfy s SER 30 Ca 0.01 -0.54 -0.10 0.00 0.70 0.00 0.00 55.95 56.03 3dfy s SER 30 Cb 0.02 -1.26 0.08 0.00 -1.71 0.00 0.00 66.02 63.15 3dfy s SER 30 CO -0.09 -0.04 0.28 -0.13 1.20 0.00 0.00 173.24 174.46 3dfy s ARG 31 N 1.43 2.64 0.27 5.44 0.52 -1.26 -0.56 118.95 127.43 3dfy s ARG 31 Ca 0.05 -1.47 0.08 0.00 -0.52 0.00 0.00 55.73 53.87 3dfy s ARG 31 Cb -0.13 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 3dfy s ARG 31 CO -0.11 -0.98 0.12 -0.80 0.02 0.00 0.00 175.30 173.54 3dfy s ASN 32 N 2.23 5.06 -0.25 0.23 0.01 -0.56 -4.65 114.94 117.01 3dfy s ASN 32 Ca 0.03 -0.46 -0.03 0.00 -0.71 0.00 0.00 52.86 51.69 3dfy s ASN 32 Cb -0.23 -1.11 0.01 0.00 0.41 0.00 0.00 41.25 40.33 3dfy s ASN 32 CO 0.02 -0.06 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.83 3dfy s VAL 33 N -2.24 3.22 0.19 1.60 1.01 -0.05 -1.26 120.40 122.86 3dfy s VAL 33 Ca 0.33 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 3dfy s VAL 33 Cb -0.07 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 3dfy s VAL 33 CO 0.23 0.25 0.61 -0.70 0.00 0.00 0.00 175.10 175.48 3dfy s GLU 34 N 1.40 4.04 -0.14 2.72 2.12 0.12 -0.13 118.70 128.83 3dfy s GLU 34 Ca 0.02 0.58 0.02 0.00 0.36 0.00 0.00 54.97 55.96 3dfy s GLU 34 Cb -0.16 -2.86 0.01 0.00 0.26 0.00 0.00 34.13 31.38 3dfy s GLU 34 CO -0.03 0.42 -0.20 0.08 -0.54 0.00 0.00 175.26 174.98 3dfy s VAL 35 N -1.55 2.22 -0.16 3.70 1.01 0.49 -1.58 120.40 124.52 3dfy s VAL 35 Ca 0.41 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3dfy s VAL 35 Cb -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3dfy s VAL 35 CO 0.20 0.54 -0.16 -0.70 0.00 0.00 0.00 175.10 174.98 3dfy s GLU 36 N 0.77 3.18 -0.15 2.72 2.12 -0.48 -1.23 118.70 125.62 3dfy s GLU 36 Ca -0.08 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 3dfy s GLU 36 Cb -0.16 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 3dfy s GLU 36 CO -0.00 -0.03 -0.12 0.42 -0.54 0.00 0.00 175.26 174.98 3dfy s ILE 37 N 0.93 3.01 -0.16 -3.70 1.01 0.30 -1.18 121.20 121.40 3dfy s ILE 37 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 3dfy s ILE 37 Cb -0.15 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 3dfy s ILE 37 CO -0.02 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 174.64 3dfy s VAL 38 N 0.67 3.23 0.25 2.92 1.01 0.41 -0.59 120.40 128.30 3dfy s VAL 38 Ca -0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3dfy s VAL 38 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3dfy s VAL 38 CO 0.02 0.49 0.44 -0.76 0.00 0.00 0.00 175.10 175.29 3dfy s LEU 39 N 0.74 4.18 0.64 3.92 1.02 -0.57 0.67 118.68 129.27 3dfy s LEU 39 Ca -0.04 0.40 0.38 0.00 0.02 0.00 0.00 54.13 54.89 3dfy s LEU 39 Cb -0.15 -3.20 2.07 0.00 0.02 0.00 0.00 46.19 44.93 3dfy s LEU 39 CO 0.02 -0.11 2.16 1.05 0.02 0.00 0.00 176.35 179.48 3dfy h GLU 40 N 1.60 0.00 -0.00 1.70 4.11 -1.42 0.16 114.58 120.73 3dfy h GLU 40 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3dfy h GLU 40 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3dfy h GLU 40 CO 0.66 0.00 -0.03 -1.13 0.07 0.00 0.00 179.01 178.57 3dfy n SER 41 N -2.94 0.05 0.00 3.06 3.41 -1.26 -4.90 113.62 111.04 3dfy n SER 41 Ca -0.03 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3dfy n SER 41 Cb 0.17 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.42 3.30 3.76 5.00 0.00 0.55 -5.04 105.19 114.18 3dfy n GLY 42 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.77 2.24 -0.08 1.61 1.01 -1.26 -4.76 120.40 116.40 3dfy s VAL 43 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3dfy s VAL 43 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.28 3dfy s VAL 43 CO 0.00 0.02 -0.14 -0.54 0.00 0.00 0.00 175.10 174.43 3dfy s LYS 44 N -2.61 2.00 0.04 2.72 1.02 -1.26 -1.52 119.74 120.14 3dfy s LYS 44 Ca 0.64 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 56.16 3dfy s LYS 44 Cb -0.40 -1.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 3dfy s LYS 44 CO 0.50 0.03 -0.03 0.20 -0.92 0.00 0.00 175.35 175.13 3dfy s GLY 45 N 0.69 1.85 0.05 -3.33 0.00 0.25 -4.72 107.32 102.10 3dfy s GLY 45 Ca -0.14 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.58 3dfy s GLY 45 CO 0.04 -0.98 -0.17 -0.19 0.00 0.00 0.00 173.10 171.80 3dfy s TYR 46 N -1.16 1.46 0.16 1.90 2.02 -1.26 -0.54 117.35 119.94 3dfy s TYR 46 Ca 0.21 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.48 3dfy s TYR 46 Cb -0.11 -0.86 -0.02 0.00 -0.40 0.00 0.00 41.96 40.57 3dfy s TYR 46 CO 0.13 0.07 0.21 0.20 -1.57 0.00 0.00 175.55 174.58 3dfy s GLY 47 N -1.27 0.70 -0.02 0.71 0.00 -0.37 -3.96 107.32 103.11 3dfy s GLY 47 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3dfy s GLY 47 CO 0.02 -1.03 0.01 1.85 0.00 0.00 0.00 173.10 173.95 3dfy s GLU 48 N -4.01 0.13 -0.26 2.90 2.12 -1.26 -0.38 118.70 117.94 3dfy s GLU 48 Ca 0.21 0.11 -0.08 0.00 0.36 0.00 0.00 54.97 55.57 3dfy s GLU 48 Cb 0.05 -0.34 -0.02 0.00 0.26 0.00 0.00 34.13 34.08 3dfy s GLU 48 CO 0.01 -0.13 0.08 0.00 -0.54 0.00 0.00 175.26 174.69 3dfy s ALA 49 N 0.93 3.17 -0.51 6.30 0.00 0.81 -4.41 121.76 128.05 3dfy s ALA 49 Ca -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 3dfy s ALA 49 Cb -0.12 -2.14 0.13 0.00 0.00 0.00 0.00 23.12 21.00 3dfy s ALA 49 CO -0.02 -0.59 0.30 0.45 0.00 0.00 0.00 175.76 175.90 3dfy s SER 50 N 1.61 5.09 0.80 0.00 0.15 -1.26 -0.87 113.70 119.21 3dfy s SER 50 Ca 0.06 -2.52 -0.11 0.00 0.70 0.00 0.00 55.95 54.08 3dfy s SER 50 Cb -0.16 -1.80 0.07 0.00 -1.71 0.00 0.00 66.02 62.43 3dfy s SER 50 CO 0.04 -0.42 1.11 -2.16 1.20 0.00 0.00 173.24 173.01 3dfy s PRO 51 N 0.42 2.00 -0.09 5.44 0.04 -1.26 -4.62 135.00 136.93 3dfy s PRO 51 Ca 0.13 1.29 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 3dfy s PRO 51 Cb -0.22 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3dfy s PRO 51 CO -0.04 -1.85 0.06 0.45 0.04 0.00 0.00 177.00 175.66 3dfy s SER 52 N -3.14 1.61 0.01 6.66 0.15 -1.26 -4.88 113.70 112.85 3dfy s SER 52 Ca 0.63 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.89 3dfy s SER 52 Cb -0.19 -0.22 -0.18 0.00 -1.71 0.00 0.00 66.02 63.72 3dfy s SER 52 CO 0.55 -0.28 1.25 0.15 1.20 0.00 0.00 173.24 176.11 3dfy h PHE 53 N 8.41 0.38 -0.49 3.44 3.57 -1.85 -0.60 116.94 129.80 3dfy h PHE 53 Ca -0.14 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.24 3dfy h PHE 53 Cb 1.13 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3dfy h PHE 53 CO 0.38 0.81 0.29 -0.09 -2.23 0.00 0.00 178.31 177.46 3dfy h ARG 54 N -0.17 0.56 0.04 1.11 2.43 -1.94 0.22 114.38 116.64 3dfy h ARG 54 Ca 0.00 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 58.83 3dfy h ARG 54 Cb 0.79 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 3dfy h ARG 54 CO 0.04 0.37 -1.70 0.28 -1.51 0.00 0.00 179.97 177.46 3dfy n VAL 55 N -4.81 1.61 0.85 0.20 0.31 -1.24 -4.57 118.33 110.66 3dfy n VAL 55 Ca 0.03 -0.28 0.09 0.00 -0.01 0.00 0.00 64.34 64.17 3dfy n VAL 55 Cb 0.07 -1.90 -0.04 0.00 -0.91 0.00 0.00 33.84 31.06 3dfy n VAL 55 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dfy n ASN 56 N -4.07 1.42 -0.05 4.52 3.02 -0.33 -4.98 115.26 114.80 3dfy n ASN 56 Ca -0.36 -1.21 -0.01 0.00 -0.03 0.00 0.00 54.58 52.98 3dfy n ASN 56 Cb 0.83 0.69 -0.00 0.00 -0.61 0.00 0.00 39.78 40.69 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 1.34 0.44 3.85 7.41 0.00 0.77 -4.94 105.19 114.06 3dfy n GLY 57 Ca 0.06 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.69 3.86 -0.06 1.61 2.02 -0.90 -4.84 118.70 119.71 3dfy s GLU 58 Ca 0.00 0.82 0.01 0.00 0.02 0.00 0.00 54.97 55.82 3dfy s GLU 58 Cb 0.00 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 32.07 3dfy s GLU 58 CO 0.00 -0.26 -0.08 1.03 0.02 0.00 0.00 175.26 175.97 3dfy s ARG 59 N -4.19 1.25 0.49 1.61 1.81 -1.26 -2.90 118.95 115.75 3dfy s ARG 59 Ca 0.57 -0.24 0.19 0.00 -1.72 0.00 0.00 55.73 54.53 3dfy s ARG 59 Cb -0.10 -1.15 1.22 0.00 -0.45 0.00 0.00 34.95 34.48 3dfy s ARG 59 CO 0.35 -0.06 2.01 -0.24 -0.68 0.00 0.00 175.30 176.67 3dfy h VAL 60 N 6.08 0.83 -0.09 3.52 3.04 -1.95 0.26 116.25 127.94 3dfy h VAL 60 Ca -0.34 -0.06 -0.10 0.00 -1.01 0.00 0.00 66.70 65.19 3dfy h VAL 60 Cb 1.16 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 3dfy h VAL 60 CO 0.46 0.03 -0.39 -0.33 -1.01 0.00 0.00 177.57 176.33 3dfy h GLU 61 N 0.18 0.19 -0.25 4.17 3.07 -1.98 -2.57 114.58 117.39 3dfy h GLU 61 Ca 0.24 -0.08 -0.19 0.00 -0.50 0.00 0.00 59.36 58.82 3dfy h GLU 61 Cb 0.69 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3dfy h GLU 61 CO -0.04 0.56 -0.60 0.00 -1.40 0.00 0.00 179.01 177.53 3dfy h ALA 62 N 1.44 0.45 -0.41 3.43 0.00 -1.38 -2.44 119.26 120.34 3dfy h ALA 62 Ca 0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3dfy h ALA 62 Cb 0.77 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3dfy h ALA 62 CO 0.06 0.68 0.24 -0.07 0.00 0.00 0.00 179.25 180.16 3dfy h LEU 63 N 0.63 0.50 -1.45 0.00 4.07 -1.25 -2.51 115.31 115.30 3dfy h LEU 63 Ca -0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 3dfy h LEU 63 Cb 1.21 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 3dfy h LEU 63 CO 0.13 0.42 0.02 -0.07 -1.08 0.00 0.00 178.44 177.86 3dfy h LEU 64 N 0.53 0.35 -1.79 1.67 3.38 -1.44 -2.64 115.31 115.36 3dfy h LEU 64 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dfy h LEU 64 Cb 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3dfy h LEU 64 CO -0.03 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.90 3dfy h ALA 65 N 1.66 1.00 -0.63 1.53 0.00 -0.97 -3.18 119.26 118.67 3dfy h ALA 65 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 3dfy h ALA 65 Cb 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 3dfy h ALA 65 CO 0.00 0.00 0.21 0.44 0.00 0.00 0.00 179.25 179.90 3dfy n ILE 66 N -3.01 2.81 -0.17 0.00 -5.35 -1.00 -4.61 119.36 108.03 3dfy n ILE 66 Ca -0.00 -1.88 -0.03 0.00 -0.27 0.00 0.00 62.75 60.57 3dfy n ILE 66 Cb 0.24 -0.35 0.07 0.00 -1.74 0.00 0.00 39.64 37.86 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 2.12 0.38 -0.47 6.28 4.81 -1.70 -2.14 114.58 123.85 3dfy h GLU 67 Ca 0.25 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 3dfy h GLU 67 Cb 2.15 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.39 3dfy h GLU 67 CO 0.64 0.25 0.19 -0.91 -0.73 0.00 0.00 179.01 178.45 3dfy h ASN 68 N 0.39 0.22 -0.32 1.04 2.35 -1.89 -0.33 115.58 117.04 3dfy h ASN 68 Ca 0.25 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 56.07 3dfy h ASN 68 Cb 0.27 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3dfy h ASN 68 CO -0.25 0.16 0.16 0.00 -1.65 0.00 0.00 177.43 175.85 3dfy h ALA 69 N 1.29 0.39 0.34 -0.83 0.00 -1.76 0.11 119.26 118.80 3dfy h ALA 69 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dfy h ALA 69 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dfy h ALA 69 CO -0.20 -0.22 -0.24 0.28 0.00 0.00 0.00 179.25 178.87 3dfy h VAL 70 N 0.33 0.50 -0.91 0.00 2.07 -0.92 -0.48 116.25 116.84 3dfy h VAL 70 Ca 0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.77 3dfy h VAL 70 Cb 0.04 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 3dfy h VAL 70 CO -0.09 0.00 0.54 -0.09 0.02 0.00 0.00 177.57 177.95 3dfy h ARG 71 N -0.57 0.82 -0.40 1.57 2.43 -0.80 -0.17 114.38 117.25 3dfy h ARG 71 Ca -0.03 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3dfy h ARG 71 Cb 0.48 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3dfy h ARG 71 CO 0.01 0.54 0.00 1.49 -1.51 0.00 0.00 179.97 180.51 3dfy h GLU 72 N 0.84 0.64 -0.26 0.20 4.22 -0.33 -1.80 114.58 118.09 3dfy h GLU 72 Ca 0.46 -0.15 -0.12 0.00 0.08 0.00 0.00 59.36 59.63 3dfy h GLU 72 Cb 0.51 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3dfy h GLU 72 CO -0.29 0.66 -0.30 0.52 -2.18 0.00 0.00 179.01 177.43 3dfy h MET 73 N 0.61 0.66 -0.00 1.92 2.86 0.63 -3.38 114.93 118.23 3dfy h MET 73 Ca 0.13 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3dfy h MET 73 Cb 0.38 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3dfy h MET 73 CO 0.01 0.97 -0.26 0.44 1.06 0.00 0.00 176.91 179.14 3dfy n ILE 74 N -4.28 0.00 -2.00 -1.22 -5.35 -0.94 -4.98 119.36 100.58 3dfy n ILE 74 Ca -0.04 -0.37 -0.41 0.00 -0.27 0.00 0.00 62.75 61.66 3dfy n ILE 74 Cb 0.48 1.07 -0.02 0.00 -1.74 0.00 0.00 39.64 39.43 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 -1.44 2.52 0.00 7.28 2.01 -0.68 -2.32 115.64 123.00 3dfy s THR 75 Ca 0.06 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.55 3dfy s THR 75 Cb 0.07 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3dfy s THR 75 CO 0.27 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 3dfy n GLY 76 N 1.22 1.18 3.78 4.40 0.00 0.44 -4.96 105.19 111.24 3dfy n GLY 76 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.38 4.86 0.09 -0.61 1.01 -0.98 -4.65 121.20 118.55 3dfy s ILE 77 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 3dfy s ILE 77 Cb 0.00 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3dfy s ILE 77 CO 0.00 0.45 1.02 -0.62 0.00 0.00 0.00 174.94 175.80 3dfy s ASP 78 N -0.43 7.37 0.29 3.58 -1.08 -1.26 -1.17 116.67 123.97 3dfy s ASP 78 Ca 0.30 1.85 0.22 0.00 -0.52 0.00 0.00 52.55 54.41 3dfy s ASP 78 Cb -0.19 -2.59 1.08 0.00 -1.46 0.00 0.00 42.92 39.77 3dfy s ASP 78 CO 0.18 -0.19 1.68 1.33 0.52 0.00 0.00 175.17 178.69 3dfy n VAL 79 N 3.09 0.95 0.53 1.11 0.24 -1.26 -1.17 118.33 121.81 3dfy n VAL 79 Ca 0.04 0.50 0.12 0.00 -2.04 0.00 0.00 64.34 62.96 3dfy n VAL 79 Cb 0.49 -1.47 0.45 0.00 -1.47 0.00 0.00 33.84 31.84 3dfy n VAL 79 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3dfy n ARG 80 N -2.25 0.19 -1.50 7.34 1.85 -1.26 -1.88 116.66 119.15 3dfy n ARG 80 Ca 0.00 0.31 -0.34 0.00 -1.00 0.00 0.00 57.85 56.82 3dfy n ARG 80 Cb 0.13 -1.80 0.07 0.00 -1.05 0.00 0.00 32.46 29.80 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 -2.15 7.30 0.12 2.89 3.02 -0.32 -4.77 115.26 121.34 3dfy n ASN 81 Ca 0.04 -3.79 0.19 0.00 -0.03 0.00 0.00 54.58 50.99 3dfy n ASN 81 Cb 0.31 -0.90 0.76 0.00 -0.61 0.00 0.00 39.78 39.34 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 2.15 0.00 -0.02 3.10 -0.00 -1.52 -0.70 116.97 119.97 3dfy h TYR 82 Ca 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.27 3dfy h TYR 82 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.54 3dfy h TYR 82 CO 1.33 0.00 -0.14 0.00 -0.00 0.00 0.00 178.16 179.35 3dfy h ALA 83 N 1.66 1.74 -0.27 0.10 0.00 -1.88 0.39 119.26 120.99 3dfy h ALA 83 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3dfy h ALA 83 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3dfy h ALA 83 CO -0.00 0.20 -0.30 0.00 0.00 0.00 0.00 179.25 179.15 3dfy h ARG 84 N 0.03 0.68 -0.73 0.00 3.08 -1.52 -1.09 114.38 114.82 3dfy h ARG 84 Ca 0.00 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 3dfy h ARG 84 Cb 0.26 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3dfy h ARG 84 CO 0.02 0.98 0.29 0.82 -1.07 0.00 0.00 179.97 181.00 3dfy h ILE 85 N 0.41 1.25 -0.18 2.04 2.04 -1.38 -0.90 117.51 120.79 3dfy h ILE 85 Ca 0.04 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3dfy h ILE 85 Cb 0.87 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3dfy h ILE 85 CO 0.07 0.32 0.10 -0.26 0.00 0.00 0.00 178.15 178.38 3dfy h PHE 86 N 1.05 0.24 -0.60 1.37 -1.00 -0.82 -0.24 116.94 116.93 3dfy h PHE 86 Ca 0.24 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.04 3dfy h PHE 86 Cb 0.22 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 3dfy h PHE 86 CO 0.02 0.21 0.39 1.49 -1.61 0.00 0.00 178.31 178.81 3dfy h GLU 87 N 0.19 0.75 -0.26 1.51 4.81 -0.88 -1.51 114.58 119.19 3dfy h GLU 87 Ca 0.06 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3dfy h GLU 87 Cb 0.05 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3dfy h GLU 87 CO -0.01 0.50 0.06 0.82 -0.73 0.00 0.00 179.01 179.64 3dfy h ILE 88 N 0.77 1.22 0.00 2.32 2.04 -0.95 -2.78 117.51 120.13 3dfy h ILE 88 Ca 0.23 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3dfy h ILE 88 Cb -0.04 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3dfy h ILE 88 CO -0.08 0.23 0.00 0.35 0.00 0.00 0.00 178.15 178.66 3dfy n THR 89 N -4.70 0.86 0.30 -0.27 -2.24 -0.12 -1.88 114.28 106.24 3dfy n THR 89 Ca -0.03 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.13 3dfy n THR 89 Cb 0.19 -1.23 0.38 0.00 -2.10 0.00 0.00 70.33 67.57 3dfy n THR 89 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dfy n ASP 90 N -2.22 0.36 0.15 3.42 8.00 -0.59 -1.17 116.55 124.49 3dfy n ASP 90 Ca 0.02 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.26 3dfy n ASP 90 Cb 0.20 -0.68 0.41 0.00 -0.02 0.00 0.00 41.12 41.03 3dfy n ASP 90 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dfy h ARG 91 N 0.00 0.00 -1.53 -1.24 3.08 -1.52 -3.16 114.38 110.00 3dfy h ARG 91 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3dfy h ARG 91 Cb 0.19 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 3dfy h ARG 91 CO 0.00 0.00 0.23 1.28 -1.07 0.00 0.00 179.97 180.41 3dfy n LEU 92 N -2.47 5.50 0.24 3.04 4.77 -0.32 -4.43 117.00 123.33 3dfy n LEU 92 Ca 0.04 -2.71 0.17 0.00 -0.03 0.00 0.00 56.01 53.47 3dfy n LEU 92 Cb 0.39 -0.96 0.88 0.00 -2.33 0.00 0.00 43.42 41.40 3dfy n LEU 92 CO 0.28 1.01 1.00 2.19 -1.33 0.00 0.00 177.39 180.54 3dfy h PHE 93 N 1.02 0.00 -0.00 -1.77 -5.15 -1.77 0.29 116.94 109.56 3dfy h PHE 93 Ca 0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.94 3dfy h PHE 93 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.27 3dfy h PHE 93 CO 0.54 0.00 -0.33 0.41 -2.00 0.00 0.00 178.31 176.93 3dfy n GLY 94 N -1.13 -1.27 2.45 6.09 0.00 -1.26 -4.00 105.19 106.07 3dfy n GLY 94 Ca -0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.43 1.60 -0.36 1.61 3.72 0.10 -4.73 117.46 117.97 3dfy n PHE 95 Ca 0.07 -3.88 0.08 0.00 -0.05 0.00 0.00 57.45 53.67 3dfy n PHE 95 Cb 0.33 -0.44 0.25 0.00 -0.94 0.00 0.00 39.48 38.68 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 3.11 0.94 -0.24 -1.08 0.13 -1.66 -1.21 132.00 131.99 3dfy h PRO 96 Ca 0.11 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 3dfy h PRO 96 Cb 0.79 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 3dfy h PRO 96 CO 0.62 0.63 -0.18 0.66 -0.23 0.00 0.00 178.00 179.49 3dfy h SER 97 N 0.97 0.42 -0.15 1.44 4.64 -1.80 -0.82 113.55 118.26 3dfy h SER 97 Ca 0.50 -0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 61.48 3dfy h SER 97 Cb 0.53 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3dfy h SER 97 CO -0.27 0.62 -0.76 0.25 -0.87 0.00 0.00 176.83 175.80 3dfy h LEU 98 N 0.39 0.94 -0.67 5.97 5.85 -1.72 -2.09 115.31 123.98 3dfy h LEU 98 Ca 0.07 -0.61 0.08 0.00 0.84 0.00 0.00 57.88 58.26 3dfy h LEU 98 Cb 0.55 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3dfy h LEU 98 CO 0.04 1.41 0.33 0.50 -0.34 0.00 0.00 178.44 180.38 3dfy h LYS 99 N 0.55 0.56 -0.13 1.25 3.64 -0.84 -0.79 116.57 120.80 3dfy h LYS 99 Ca -0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3dfy h LYS 99 Cb 1.39 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3dfy h LYS 99 CO 0.16 0.37 0.04 0.00 -2.27 0.00 0.00 179.45 177.75 3dfy h ALA 100 N 1.40 0.18 -0.59 5.00 0.00 -1.00 -1.73 119.26 122.52 3dfy h ALA 100 Ca 0.32 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3dfy h ALA 100 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3dfy h ALA 100 CO -0.25 -0.19 0.33 0.00 0.00 0.00 0.00 179.25 179.13 3dfy h ALA 101 N 0.84 0.77 -0.32 0.00 0.00 -0.85 -0.23 119.26 119.47 3dfy h ALA 101 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3dfy h ALA 101 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dfy h ALA 101 CO -0.00 0.01 -0.01 0.28 0.00 0.00 0.00 179.25 179.53 3dfy h VAL 102 N 0.63 1.26 -0.59 0.00 2.07 -1.12 0.01 116.25 118.50 3dfy h VAL 102 Ca 0.26 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 3dfy h VAL 102 Cb 0.13 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3dfy h VAL 102 CO -0.15 0.32 -0.01 1.56 0.02 0.00 0.00 177.57 179.31 3dfy h GLN 103 N 0.37 1.04 -0.22 1.57 4.20 -1.03 -1.07 115.11 119.97 3dfy h GLN 103 Ca 0.09 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 3dfy h GLN 103 Cb 0.47 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3dfy h GLN 103 CO 0.02 1.02 -0.19 0.35 -0.67 0.00 0.00 178.83 179.36 3dfy h PHE 104 N 0.95 0.62 -0.86 2.96 3.57 -1.01 -2.41 116.94 120.76 3dfy h PHE 104 Ca 0.17 -0.18 0.13 0.00 3.53 0.00 0.00 57.97 61.62 3dfy h PHE 104 Cb 0.55 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 3dfy h PHE 104 CO 0.04 0.84 0.56 0.00 -2.23 0.00 0.00 178.31 177.52 3dfy h ALA 105 N 0.67 1.84 -0.31 2.41 0.00 -0.80 0.36 119.26 123.43 3dfy h ALA 105 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dfy h ALA 105 Cb 0.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dfy h ALA 105 CO 0.05 -0.05 0.14 1.15 0.00 0.00 0.00 179.25 180.53 3dfy h THR 106 N 0.68 1.16 -0.03 0.00 2.02 -0.95 -0.76 112.91 115.02 3dfy h THR 106 Ca 0.42 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 3dfy h THR 106 Cb 0.66 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3dfy h THR 106 CO -0.18 0.17 -0.52 -0.07 0.37 0.00 0.00 175.52 175.29 3dfy h LEU 107 N 0.36 0.10 -0.32 2.58 3.38 -0.49 -0.52 115.31 120.40 3dfy h LEU 107 Ca 0.10 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dfy h LEU 107 Cb 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dfy h LEU 107 CO -0.01 0.60 0.08 -0.78 0.09 0.00 0.00 178.44 178.42 3dfy h ASP 108 N 0.07 0.49 -0.12 -0.43 3.58 -0.09 0.48 116.42 120.40 3dfy h ASP 108 Ca -0.00 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 3dfy h ASP 108 Cb 0.94 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 3dfy h ASP 108 CO 0.07 0.59 0.02 0.00 -2.88 0.00 0.00 179.24 177.04 3dfy h ALA 109 N 0.92 0.16 -0.59 -0.78 0.00 -0.97 -2.82 119.26 115.17 3dfy h ALA 109 Ca 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 109 Cb 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3dfy h ALA 109 CO 0.00 -0.19 0.36 1.25 0.00 0.00 0.00 179.25 180.68 3dfy h LEU 110 N -0.03 0.60 -1.53 0.00 5.85 -0.98 -2.28 115.31 116.94 3dfy h LEU 110 Ca 0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3dfy h LEU 110 Cb 0.29 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3dfy h LEU 110 CO 0.00 0.42 -0.21 0.77 -0.34 0.00 0.00 178.44 179.08 3dfy h SER 111 N 0.72 0.04 -0.32 1.25 4.64 -0.88 -1.15 113.55 117.84 3dfy h SER 111 Ca 0.24 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 3dfy h SER 111 Cb 0.01 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3dfy h SER 111 CO -0.09 0.25 -0.21 1.56 -0.87 0.00 0.00 176.83 177.47 3dfy h GLN 112 N 0.04 0.71 0.00 4.77 4.20 -1.16 0.18 115.11 123.84 3dfy h GLN 112 Ca 0.01 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 3dfy h GLN 112 Cb 0.39 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3dfy h GLN 112 CO 0.03 0.94 -0.29 0.93 -0.67 0.00 0.00 178.83 179.77 3dfy h GLU 113 N 0.47 0.00 -0.01 1.46 5.08 -0.94 -1.55 114.58 119.09 3dfy h GLU 113 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 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 0.06 0.29 -0.02 1.28 -1.00 0.00 0.00 179.01 179.62 3dfy n LEU 114 N -4.13 1.07 -1.60 1.33 4.77 -0.49 -4.93 117.00 113.03 3dfy n LEU 114 Ca -0.02 -0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 55.49 3dfy n LEU 114 Cb 0.34 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3dfy n LEU 114 CO 0.37 0.18 -0.09 0.61 -1.33 0.00 0.00 177.39 177.13 3dfy n GLY 115 N 1.15 -0.09 0.34 -0.72 0.00 -0.58 -5.01 105.19 100.27 3dfy n GLY 115 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.00 0.00 -4.26 2.61 5.66 0.53 -5.02 114.28 109.80 3dfy n THR 116 Ca -0.11 -0.24 -0.24 0.00 -3.05 0.00 0.00 64.05 60.40 3dfy n THR 116 Cb 0.60 0.12 -0.07 0.00 -1.55 0.00 0.00 70.33 69.43 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 -2.13 2.35 0.18 1.09 -0.21 -1.26 -3.96 119.66 115.72 3dfy s GLN 117 Ca 0.04 -1.30 -0.14 0.00 0.02 0.00 0.00 55.36 53.99 3dfy s GLN 117 Cb 0.00 -2.24 0.14 0.00 1.00 0.00 0.00 33.01 31.91 3dfy s GLN 117 CO 0.03 0.40 1.76 0.28 -2.12 0.00 0.00 175.29 175.63 3dfy h VAL 118 N 2.07 0.87 -0.86 1.09 2.07 -1.92 -1.96 116.25 117.61 3dfy h VAL 118 Ca -0.45 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.07 3dfy h VAL 118 Cb 1.23 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3dfy h VAL 118 CO 0.59 0.07 0.56 0.00 0.02 0.00 0.00 177.57 178.81 3dfy h TYR 120 N 0.70 0.73 -0.24 0.00 0.05 -1.75 0.21 116.97 116.66 3dfy h TYR 120 Ca 0.42 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 3dfy h TYR 120 Cb 0.64 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3dfy h TYR 120 CO -0.00 1.09 0.01 1.25 -1.05 0.00 0.00 178.16 179.46 3dfy h LEU 121 N 0.37 0.32 -1.00 3.88 5.85 -0.46 -1.66 115.31 122.62 3dfy h LEU 121 Ca -0.03 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3dfy h LEU 121 Cb 1.32 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3dfy h LEU 121 CO 0.13 0.37 0.00 0.18 -0.34 0.00 0.00 178.44 178.78 3dfy n LEU 122 N -4.36 1.50 0.00 2.25 4.77 -0.32 -4.91 117.00 115.94 3dfy n LEU 122 Ca 0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3dfy n LEU 122 Cb 0.19 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3dfy n LEU 122 CO 0.37 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3dfy n GLY 123 N 1.11 1.59 4.13 -0.72 0.00 -0.63 -4.09 105.19 106.60 3dfy n GLY 123 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.42 0.19 -0.02 0.00 0.69 -4.88 105.19 100.75 3dfy n GLY 124 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.65 0.59 -6.05 1.61 1.63 -1.19 -3.46 116.57 108.04 3dfy h LYS 125 Ca -0.60 -0.16 -0.55 0.00 -0.85 0.00 0.00 60.65 58.50 3dfy h LYS 125 Cb 1.38 -0.07 -0.18 0.00 -0.60 0.00 0.00 32.23 32.76 3dfy h LYS 125 CO 0.74 0.66 -0.79 1.03 -3.45 0.00 0.00 179.45 177.64 3dfy s ARG 126 N -5.17 1.30 -0.08 1.90 0.52 -0.37 -4.95 118.95 112.10 3dfy s ARG 126 Ca -0.13 -1.41 0.20 0.00 -0.52 0.00 0.00 55.73 53.86 3dfy s ARG 126 Cb 0.09 -1.42 -0.30 0.00 0.52 0.00 0.00 34.95 33.85 3dfy s ARG 126 CO 0.76 0.29 0.33 -0.25 0.02 0.00 0.00 175.30 176.46 3dfy n ASP 127 N 0.33 0.21 -3.88 0.23 8.00 -1.26 -4.64 116.55 115.54 3dfy n ASP 127 Ca -0.13 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.26 3dfy n ASP 127 Cb 0.57 1.63 -0.11 0.00 -0.02 0.00 0.00 41.12 43.19 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 -3.13 0.36 0.12 -1.24 2.12 -1.26 -3.25 118.70 112.42 3dfy s GLU 128 Ca -0.08 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 54.97 3dfy s GLU 128 Cb 0.11 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 3dfy s GLU 128 CO 0.85 -0.08 -0.05 0.96 -0.54 0.00 0.00 175.26 176.40 3dfy s ILE 129 N -1.03 0.71 -0.05 -3.70 -4.36 -0.35 -4.98 121.20 107.43 3dfy s ILE 129 Ca -0.11 -1.95 0.05 0.00 -0.26 0.00 0.00 60.65 58.37 3dfy s ILE 129 Cb -0.06 -1.79 -0.00 0.00 1.25 0.00 0.00 42.46 41.86 3dfy s ILE 129 CO 0.01 -0.78 -0.20 -0.70 0.24 0.00 0.00 174.94 173.51 3dfy s GLU 130 N -3.85 2.11 0.10 0.37 2.12 -1.26 -0.91 118.70 117.38 3dfy s GLU 130 Ca 0.15 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.83 3dfy s GLU 130 Cb 0.05 -1.78 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 3dfy s GLU 130 CO -0.03 0.25 0.01 -0.08 -0.54 0.00 0.00 175.26 174.87 3dfy s THR 131 N 0.07 4.01 0.48 -1.70 -1.32 0.31 -3.76 115.64 113.73 3dfy s THR 131 Ca -0.06 -1.03 -0.05 0.00 -1.21 0.00 0.00 61.69 59.34 3dfy s THR 131 Cb -0.13 -2.93 0.10 0.00 -1.51 0.00 0.00 72.50 68.04 3dfy s THR 131 CO 0.03 0.09 0.65 -0.90 -2.21 0.00 0.00 174.62 172.29 3dfy n ASP 132 N 0.47 0.42 -3.90 8.08 5.68 -0.15 -4.75 116.55 122.40 3dfy n ASP 132 Ca -0.11 -1.46 -0.11 0.00 -0.50 0.00 0.00 54.79 52.61 3dfy n ASP 132 Cb 0.52 -0.46 -0.13 0.00 -1.14 0.00 0.00 41.12 39.91 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 -4.26 0.14 -0.05 0.11 2.20 -1.14 -4.49 119.74 112.26 3dfy s LYS 133 Ca 0.40 -0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 55.71 3dfy s LYS 133 Cb -0.02 0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.31 3dfy s LYS 133 CO 0.27 -0.02 0.31 0.99 -0.36 0.00 0.00 175.35 176.53 3dfy s THR 134 N -0.50 5.21 -0.47 3.43 2.01 -1.26 -1.96 115.64 122.10 3dfy s THR 134 Ca -0.06 0.60 -0.11 0.00 0.31 0.00 0.00 61.69 62.43 3dfy s THR 134 Cb -0.04 -3.59 0.10 0.00 0.01 0.00 0.00 72.50 68.98 3dfy s THR 134 CO -0.00 0.59 0.35 -0.69 -0.69 0.00 0.00 174.62 174.18 3dfy s VAL 135 N -1.03 4.56 1.13 3.82 1.01 0.96 -4.96 120.40 125.87 3dfy s VAL 135 Ca 0.20 -1.50 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 3dfy s VAL 135 Cb -0.15 -3.87 0.25 0.00 0.00 0.00 0.00 36.38 32.61 3dfy s VAL 135 CO 0.10 -0.67 1.08 -0.83 0.00 0.00 0.00 175.10 174.77 3dfy s GLY 136 N 2.65 1.56 0.09 4.51 0.00 -1.26 -1.99 107.32 112.87 3dfy s GLY 136 Ca 0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 3dfy s GLY 136 CO 0.02 0.16 1.13 -0.42 0.00 0.00 0.00 173.10 173.99 3dfy s ILE 137 N -2.88 4.10 0.00 0.90 1.01 -0.38 -4.74 121.20 119.21 3dfy s ILE 137 Ca 0.68 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.93 3dfy s ILE 137 Cb -0.16 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3dfy s ILE 137 CO 0.58 0.18 0.00 -0.67 0.00 0.00 0.00 174.94 175.03 3dfy n ASP 138 N 3.38 0.00 -4.78 3.58 -0.08 -1.26 -4.51 116.55 112.89 3dfy n ASP 138 Ca 0.06 -0.50 -0.35 0.00 -1.51 0.00 0.00 54.79 52.50 3dfy n ASP 138 Cb 0.47 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 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 -2.68 3.37 0.36 5.18 -4.23 -1.26 -4.79 115.64 111.59 3dfy s THR 139 Ca 0.00 0.84 0.14 0.00 -1.18 0.00 0.00 61.69 61.48 3dfy s THR 139 Cb 0.00 -3.33 0.35 0.00 1.34 0.00 0.00 72.50 70.86 3dfy s THR 139 CO 0.00 -0.20 1.77 0.58 -0.54 0.00 0.00 174.62 176.23 3dfy h VAL 140 N 1.23 0.58 0.41 2.29 2.07 -1.99 -0.10 116.25 120.75 3dfy h VAL 140 Ca -0.50 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3dfy h VAL 140 Cb 1.25 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3dfy h VAL 140 CO 0.57 0.10 -0.36 -0.33 0.02 0.00 0.00 177.57 177.57 3dfy h GLU 141 N 0.52 -0.76 -0.21 1.57 4.39 -2.00 -1.88 114.58 116.21 3dfy h GLU 141 Ca 0.59 0.05 -0.08 0.00 0.34 0.00 0.00 59.36 60.27 3dfy h GLU 141 Cb 1.28 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 3dfy h GLU 141 CO -0.35 -0.50 -0.21 -0.91 -1.16 0.00 0.00 179.01 175.88 3dfy h ASN 142 N -0.78 0.36 -0.31 1.42 2.35 -1.58 -2.64 115.58 114.39 3dfy h ASN 142 Ca -0.04 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3dfy h ASN 142 Cb 0.69 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3dfy h ASN 142 CO -0.03 0.59 0.16 0.03 -1.65 0.00 0.00 177.43 176.53 3dfy h ARG 143 N 0.34 0.33 -0.39 0.81 3.08 -0.83 -0.53 114.38 117.19 3dfy h ARG 143 Ca 0.06 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3dfy h ARG 143 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3dfy h ARG 143 CO 0.04 0.22 0.14 0.28 -1.07 0.00 0.00 179.97 179.58 3dfy h VAL 144 N 0.34 1.16 -0.04 2.04 2.07 -1.18 -1.71 116.25 118.94 3dfy h VAL 144 Ca 0.13 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3dfy h VAL 144 Cb 0.03 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3dfy h VAL 144 CO -0.08 0.19 0.01 0.50 0.02 0.00 0.00 177.57 178.22 3dfy h LYS 145 N 0.55 0.05 0.17 1.57 1.63 -0.91 -1.89 116.57 117.74 3dfy h LYS 145 Ca 0.13 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 3dfy h LYS 145 Cb 0.14 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3dfy h LYS 145 CO -0.01 0.22 -0.08 0.93 -3.45 0.00 0.00 179.45 177.06 3dfy h GLU 146 N -0.12 -0.22 -0.54 1.90 5.08 -0.86 -2.27 114.58 117.54 3dfy h GLU 146 Ca 0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3dfy h GLU 146 Cb 0.19 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 3dfy h GLU 146 CO -0.00 -0.13 -0.27 0.00 -1.00 0.00 0.00 179.01 177.61 3dfy h ALA 147 N 0.59 0.08 -0.27 3.43 0.00 -1.27 0.31 119.26 122.13 3dfy h ALA 147 Ca -0.02 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3dfy h ALA 147 Cb 0.19 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3dfy h ALA 147 CO 0.04 -0.60 0.04 0.87 0.00 0.00 0.00 179.25 179.60 3dfy h LYS 148 N -0.13 0.14 -0.40 0.00 1.57 -1.20 0.18 116.57 116.72 3dfy h LYS 148 Ca 0.24 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3dfy h LYS 148 Cb 0.52 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3dfy h LYS 148 CO -0.62 0.09 0.19 -0.22 -0.57 0.00 0.00 179.45 178.32 3dfy h LYS 149 N 0.14 0.38 -0.43 3.15 3.64 -0.60 0.47 116.57 123.33 3dfy h LYS 149 Ca 0.12 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3dfy h LYS 149 Cb 0.13 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3dfy h LYS 149 CO -0.17 0.25 0.19 0.82 -2.27 0.00 0.00 179.45 178.27 3dfy h ILE 150 N 0.40 1.19 -0.20 2.00 2.04 0.04 -0.33 117.51 122.64 3dfy h ILE 150 Ca 0.17 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3dfy h ILE 150 Cb 0.08 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3dfy h ILE 150 CO -0.12 0.21 0.06 0.15 0.00 0.00 0.00 178.15 178.45 3dfy h PHE 151 N 0.55 0.33 -0.36 1.37 3.57 -0.24 -2.32 116.94 119.84 3dfy h PHE 151 Ca 0.15 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.71 3dfy h PHE 151 Cb 0.16 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3dfy h PHE 151 CO -0.00 0.42 0.26 1.49 -2.23 0.00 0.00 178.31 178.24 3dfy h GLU 152 N 0.15 0.00 0.00 1.11 4.81 0.18 0.14 114.58 120.98 3dfy h GLU 152 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3dfy h GLU 152 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3dfy h GLU 152 CO -0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 3dfy n GLU 153 N -4.40 0.95 0.00 1.92 1.02 -0.16 -4.89 120.64 115.09 3dfy n GLU 153 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3dfy n GLU 153 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.89 0.15 3.72 0.62 0.00 0.49 -4.80 105.19 106.26 3dfy n GLY 154 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 3.23 -1.28 1.61 0.08 -1.09 -4.83 117.98 113.69 3dfy s PHE 155 Ca 0.00 1.04 0.10 0.00 0.12 0.00 0.00 56.93 58.19 3dfy s PHE 155 Cb 0.00 -3.67 0.10 0.00 -0.57 0.00 0.00 43.02 38.88 3dfy s PHE 155 CO 0.00 -2.27 0.86 0.54 -0.10 0.00 0.00 175.22 174.26 3dfy n ARG 156 N 3.42 0.65 -3.97 0.44 5.12 -1.26 -4.44 116.66 116.62 3dfy n ARG 156 Ca 0.09 -1.20 -0.29 0.00 -1.93 0.00 0.00 57.85 54.53 3dfy n ARG 156 Cb 0.42 -1.21 -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 -0.89 1.36 -0.15 1.55 1.01 -1.26 0.07 120.40 122.10 3dfy s VAL 157 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3dfy s VAL 157 Cb 0.09 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.15 3dfy s VAL 157 CO 0.13 0.40 -0.21 -0.63 0.00 0.00 0.00 175.10 174.80 3dfy s ILE 158 N 1.57 2.17 -0.17 2.22 1.01 0.35 -2.86 121.20 125.50 3dfy s ILE 158 Ca 0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 3dfy s ILE 158 Cb -0.13 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3dfy s ILE 158 CO -0.10 0.54 0.35 -0.75 0.00 0.00 0.00 174.94 174.98 3dfy s LYS 159 N 0.85 4.25 -0.17 2.79 2.20 -0.83 -1.33 119.74 127.50 3dfy s LYS 159 Ca -0.06 0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.71 3dfy s LYS 159 Cb -0.15 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 3dfy s LYS 159 CO -0.02 0.15 -0.11 0.42 -0.36 0.00 0.00 175.35 175.42 3dfy s ILE 160 N 0.72 2.98 0.04 5.43 1.01 0.13 -0.03 121.20 131.48 3dfy s ILE 160 Ca 0.18 -0.66 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 3dfy s ILE 160 Cb -0.14 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 3dfy s ILE 160 CO 0.06 0.49 0.65 -0.54 0.00 0.00 0.00 174.94 175.60 3dfy s LYS 161 N 0.90 4.37 0.00 2.79 -0.14 -0.84 -1.33 119.74 125.49 3dfy s LYS 161 Ca -0.03 0.86 0.00 0.00 -1.36 0.00 0.00 55.97 55.44 3dfy s LYS 161 Cb -0.15 -3.33 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 3dfy s LYS 161 CO -0.00 0.40 0.00 1.33 -0.76 0.00 0.00 175.35 176.32 3dfy n VAL 162 N 2.49 0.00 0.00 3.17 0.24 -0.33 -4.50 118.33 119.41 3dfy n VAL 162 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3dfy n VAL 162 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 0.00 1.91 0.06 7.63 0.00 -1.26 -4.27 105.19 109.26 3dfy n GLY 163 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.19 0.64 -3.27 1.61 1.02 -1.26 -4.36 120.64 114.83 3dfy n GLU 164 Ca 0.00 -0.04 -0.06 0.00 -0.02 0.00 0.00 57.16 57.04 3dfy n GLU 164 Cb 0.00 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 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 -5.00 -0.18 0.22 1.62 3.84 -1.26 -5.05 114.94 109.13 3dfy s ASN 165 Ca -0.06 -0.59 -0.12 0.00 0.21 0.00 0.00 52.86 52.30 3dfy s ASN 165 Cb 0.11 1.33 0.28 0.00 -0.55 0.00 0.00 41.25 42.42 3dfy s ASN 165 CO 0.86 -0.29 1.62 0.25 -2.79 0.00 0.00 177.10 176.74 3dfy h LEU 166 N 7.70 -0.64 0.04 3.21 5.85 -1.98 0.21 115.31 129.70 3dfy h LEU 166 Ca -0.02 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3dfy h LEU 166 Cb 1.13 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 3dfy h LEU 166 CO 0.20 -0.23 -0.06 0.50 -0.34 0.00 0.00 178.44 178.51 3dfy h LYS 167 N 0.00 -0.12 0.00 1.25 3.64 -2.00 -1.96 116.57 117.38 3dfy h LYS 167 Ca 0.34 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 3dfy h LYS 167 Cb 0.52 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3dfy h LYS 167 CO -0.72 -0.08 -0.22 0.93 -2.27 0.00 0.00 179.45 177.09 3dfy h GLU 168 N -0.12 0.00 -0.21 1.90 5.08 -1.82 -2.70 114.58 116.70 3dfy h GLU 168 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3dfy h GLU 168 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dfy h GLU 168 CO -0.03 0.22 -0.30 -0.44 -1.00 0.00 0.00 179.01 177.46 3dfy h ASP 169 N 0.00 0.63 -0.59 1.42 3.32 -0.24 0.12 116.42 121.07 3dfy h ASP 169 Ca -0.00 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 3dfy h ASP 169 Cb 0.67 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3dfy h ASP 169 CO 0.03 1.02 0.31 0.40 -1.72 0.00 0.00 179.24 179.28 3dfy h ILE 170 N 0.26 1.20 -0.01 0.35 2.04 -1.27 -1.30 117.51 118.77 3dfy h ILE 170 Ca 0.02 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3dfy h ILE 170 Cb 0.88 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3dfy h ILE 170 CO 0.07 0.22 0.01 -0.08 0.00 0.00 0.00 178.15 178.37 3dfy h GLU 171 N 0.80 0.02 -0.46 2.37 4.81 -1.39 -2.11 114.58 118.62 3dfy h GLU 171 Ca 0.21 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3dfy h GLU 171 Cb 0.07 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3dfy h GLU 171 CO -0.03 0.09 0.16 0.00 -0.73 0.00 0.00 179.01 178.50 3dfy h ALA 172 N 0.93 0.56 -0.77 2.92 0.00 -0.48 -1.20 119.26 121.21 3dfy h ALA 172 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 172 Cb 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3dfy h ALA 172 CO -0.00 -0.23 0.51 0.28 0.00 0.00 0.00 179.25 179.81 3dfy h VAL 173 N 0.33 1.20 -0.18 0.00 2.07 -1.08 -0.19 116.25 118.40 3dfy h VAL 173 Ca 0.22 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3dfy h VAL 173 Cb 0.22 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3dfy h VAL 173 CO -0.23 0.19 0.03 -0.08 0.02 0.00 0.00 177.57 177.51 3dfy h GLU 174 N 1.04 0.30 -0.73 1.57 4.81 -0.83 -0.53 114.58 120.22 3dfy h GLU 174 Ca 0.28 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3dfy h GLU 174 Cb -0.12 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 3dfy h GLU 174 CO -0.06 0.45 0.41 0.93 -0.73 0.00 0.00 179.01 180.01 3dfy h GLU 175 N 0.09 1.00 -0.41 1.92 4.39 -1.01 -0.09 114.58 120.48 3dfy h GLU 175 Ca 0.06 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 3dfy h GLU 175 Cb 0.30 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3dfy h GLU 175 CO 0.00 0.72 -0.17 0.82 -1.16 0.00 0.00 179.01 179.23 3dfy h ILE 176 N 1.01 1.28 -0.56 3.13 2.04 -0.89 -3.08 117.51 120.45 3dfy h ILE 176 Ca 0.26 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3dfy h ILE 176 Cb 0.01 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3dfy h ILE 176 CO -0.04 0.43 0.36 0.00 0.00 0.00 0.00 178.15 178.90 3dfy h ALA 177 N 0.83 0.71 -0.78 1.87 0.00 -0.36 -2.41 119.26 119.12 3dfy h ALA 177 Ca 0.09 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.14 3dfy h ALA 177 Cb 0.72 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3dfy h ALA 177 CO 0.05 0.15 0.53 0.87 0.00 0.00 0.00 179.25 180.86 3dfy h LYS 178 N 0.75 0.30 -0.52 0.00 1.57 -0.95 -2.38 116.57 115.34 3dfy h LYS 178 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3dfy h LYS 178 Cb -0.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3dfy h LYS 178 CO -0.04 0.20 0.00 1.33 -0.57 0.00 0.00 179.45 180.37 3dfy n VAL 179 N -4.45 0.90 -2.67 0.50 0.24 -0.94 -4.52 118.33 107.39 3dfy n VAL 179 Ca 0.16 -0.95 0.01 0.00 -2.04 0.00 0.00 64.34 61.51 3dfy n VAL 179 Cb 0.63 0.59 0.04 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.18 0.89 -1.65 3.34 -2.24 -0.90 -4.78 114.28 110.12 3dfy n THR 180 Ca 0.18 -2.30 -0.48 0.00 -2.27 0.00 0.00 64.05 59.18 3dfy n THR 180 Cb 0.54 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.23 1.81 0.00 -0.78 1.74 -1.19 -1.60 116.66 116.41 3dfy n ARG 181 Ca 0.08 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 3dfy n ARG 181 Cb 0.93 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 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 3.28 1.97 3.92 -0.13 0.00 -1.26 -5.09 105.19 107.88 3dfy n GLY 182 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.21 3.66 0.09 4.61 0.00 -0.63 -4.99 121.76 122.29 3dfy s ALA 183 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3dfy s ALA 183 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3dfy s ALA 183 CO 0.00 0.16 0.25 0.15 0.00 0.00 0.00 175.76 176.32 3dfy s LYS 184 N -3.80 3.45 -0.01 0.00 -0.14 0.11 -4.97 119.74 114.39 3dfy s LYS 184 Ca 0.42 -0.46 0.07 0.00 -1.36 0.00 0.00 55.97 54.64 3dfy s LYS 184 Cb -0.10 -3.00 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 3dfy s LYS 184 CO 0.32 0.57 -0.22 0.71 -0.76 0.00 0.00 175.35 175.97 3dfy s TYR 185 N -1.60 1.98 -0.14 3.18 2.02 -1.26 -0.49 117.35 121.03 3dfy s TYR 185 Ca 0.35 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3dfy s TYR 185 Cb -0.12 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.20 3dfy s TYR 185 CO 0.28 -0.01 -0.17 0.42 -1.57 0.00 0.00 175.55 174.49 3dfy s ILE 186 N -0.56 1.77 -0.21 2.71 1.01 -0.44 -0.52 121.20 124.95 3dfy s ILE 186 Ca 0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 3dfy s ILE 186 Cb -0.09 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3dfy s ILE 186 CO -0.00 0.49 -0.03 -0.69 0.00 0.00 0.00 174.94 174.71 3dfy s VAL 187 N 1.18 3.58 -0.24 2.92 1.01 -0.40 0.23 120.40 128.67 3dfy s VAL 187 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3dfy s VAL 187 Cb -0.14 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3dfy s VAL 187 CO -0.07 0.42 -0.03 -0.62 0.00 0.00 0.00 175.10 174.80 3dfy s ASP 188 N 1.31 4.42 0.00 3.32 -1.08 -0.44 0.09 116.67 124.28 3dfy s ASP 188 Ca 0.04 -0.59 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 3dfy s ASP 188 Cb -0.14 -1.74 0.69 0.00 -1.46 0.00 0.00 42.92 40.27 3dfy s ASP 188 CO -0.01 -0.08 1.53 0.00 0.52 0.00 0.00 175.17 177.13 3dfy n ALA 189 N 4.77 2.92 -4.34 3.66 0.00 -0.82 -1.18 120.51 125.52 3dfy n ALA 189 Ca -0.17 -0.48 -0.35 0.00 0.00 0.00 0.00 53.44 52.44 3dfy n ALA 189 Cb 0.49 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.11 -0.52 -0.80 0.00 4.13 -1.18 -0.88 115.26 115.90 3dfy n ASN 190 Ca 0.14 -1.21 -0.10 0.00 1.68 0.00 0.00 54.58 55.08 3dfy n ASN 190 Cb 0.39 -1.88 -0.04 0.00 -1.54 0.00 0.00 39.78 36.70 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 -4.38 -1.05 0.23 3.52 2.81 0.12 -4.79 117.12 113.58 3dfy n MET 191 Ca -0.14 0.83 0.13 0.00 -1.81 0.00 0.00 57.70 56.71 3dfy n MET 191 Cb 0.60 -4.89 0.26 0.00 -0.71 0.00 0.00 33.22 28.48 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 -3.68 3.03 0.00 -1.02 -3.35 103.07 98.05 3dfy h GLY 192 Ca -0.21 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.60 3dfy h GLY 192 CO 0.31 0.00 -0.47 -0.19 0.00 0.00 0.00 176.54 176.20 3dfy s TYR 193 N -3.29 3.42 0.73 5.60 2.02 -0.59 -4.85 117.35 120.39 3dfy s TYR 193 Ca 0.06 0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 56.73 3dfy s TYR 193 Cb 0.06 -1.60 0.06 0.00 -0.40 0.00 0.00 41.96 40.08 3dfy s TYR 193 CO 0.65 0.49 1.05 0.95 -1.57 0.00 0.00 175.55 177.12 3dfy s THR 194 N -1.84 2.24 0.18 -0.71 -4.23 -1.26 -4.15 115.64 105.86 3dfy s THR 194 Ca 0.34 -0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.51 3dfy s THR 194 Cb -0.10 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.81 3dfy s THR 194 CO 0.28 -0.01 1.73 1.56 -0.54 0.00 0.00 174.62 177.63 3dfy h GLN 195 N -0.71 0.24 -0.68 3.99 4.20 -1.92 -0.37 115.11 119.85 3dfy h GLN 195 Ca -0.45 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 3dfy h GLN 195 Cb 1.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 3dfy h GLN 195 CO 0.62 0.16 0.21 0.87 -0.67 0.00 0.00 178.83 180.01 3dfy h LYS 196 N 0.24 1.07 -0.34 1.46 6.56 -1.98 -2.00 116.57 121.58 3dfy h LYS 196 Ca 0.22 -0.23 -0.14 0.00 -1.06 0.00 0.00 60.65 59.44 3dfy h LYS 196 Cb 0.27 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 3dfy h LYS 196 CO -0.28 0.93 -0.34 0.93 -2.06 0.00 0.00 179.45 178.64 3dfy h GLU 197 N 1.01 0.77 -0.48 3.15 5.08 -1.84 -1.75 114.58 120.51 3dfy h GLU 197 Ca 0.22 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3dfy h GLU 197 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3dfy h GLU 197 CO -0.01 0.99 0.30 0.00 -1.00 0.00 0.00 179.01 179.29 3dfy h ALA 198 N 0.98 0.61 -0.22 3.43 0.00 -0.83 0.12 119.26 123.35 3dfy h ALA 198 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dfy h ALA 198 Cb 0.87 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3dfy h ALA 198 CO 0.08 0.08 0.04 0.28 0.00 0.00 0.00 179.25 179.73 3dfy h VAL 199 N 0.64 1.22 -0.99 0.00 2.07 -1.29 -2.70 116.25 115.20 3dfy h VAL 199 Ca 0.17 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3dfy h VAL 199 Cb -0.03 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3dfy h VAL 199 CO -0.03 0.23 0.66 -0.08 0.02 0.00 0.00 177.57 178.36 3dfy h GLU 200 N 0.16 1.28 -0.11 1.57 4.57 -1.03 -0.09 114.58 120.93 3dfy h GLU 200 Ca 0.07 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3dfy h GLU 200 Cb 0.30 -0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3dfy h GLU 200 CO 0.00 0.85 -0.09 0.35 -1.18 0.00 0.00 179.01 178.94 3dfy h PHE 201 N 1.32 -0.22 -0.57 0.92 3.57 -0.60 -0.58 116.94 120.78 3dfy h PHE 201 Ca 0.37 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 3dfy h PHE 201 Cb -0.11 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3dfy h PHE 201 CO -0.00 -0.14 0.28 0.00 -2.23 0.00 0.00 178.31 176.22 3dfy h ALA 202 N 0.98 0.74 -0.38 2.41 0.00 -1.07 -2.15 119.26 119.79 3dfy h ALA 202 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3dfy h ALA 202 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dfy h ALA 202 CO -0.17 0.30 0.17 0.00 0.00 0.00 0.00 179.25 179.55 3dfy h ARG 203 N 0.78 0.57 -0.52 0.00 3.08 -0.69 -0.56 114.38 117.03 3dfy h ARG 203 Ca 0.20 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3dfy h ARG 203 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3dfy h ARG 203 CO -0.02 0.52 0.27 0.00 -1.07 0.00 0.00 179.97 179.67 3dfy h ALA 204 N 1.01 0.67 -0.47 0.04 0.00 -1.02 0.85 119.26 120.35 3dfy h ALA 204 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3dfy h ALA 204 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dfy h ALA 204 CO -0.01 0.21 0.02 0.28 0.00 0.00 0.00 179.25 179.75 3dfy h VAL 205 N 0.70 1.26 -0.36 0.00 2.07 -1.30 -2.80 116.25 115.82 3dfy h VAL 205 Ca 0.18 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3dfy h VAL 205 Cb 0.08 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3dfy h VAL 205 CO -0.03 0.36 0.22 0.22 0.02 0.00 0.00 177.57 178.36 3dfy h TYR 206 N 0.68 0.48 0.00 1.57 3.20 -0.81 -2.03 116.97 120.07 3dfy h TYR 206 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3dfy h TYR 206 Cb 0.47 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3dfy h TYR 206 CO 0.04 0.35 -0.00 1.96 -1.64 0.00 0.00 178.16 178.87 3dfy h GLN 207 N 0.47 0.00 -0.36 1.82 1.08 -0.67 0.97 115.11 118.43 3dfy h GLN 207 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3dfy h GLN 207 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3dfy h GLN 207 CO -0.02 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.49 3dfy n LYS 208 N -3.20 1.87 -1.03 1.46 5.02 -0.79 -4.90 118.16 116.59 3dfy n LYS 208 Ca -0.03 -1.35 -0.01 0.00 -2.02 0.00 0.00 58.31 54.90 3dfy n LYS 208 Cb 0.08 -1.31 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.12 0.47 3.84 0.72 0.00 0.34 -5.02 105.19 106.65 3dfy n GLY 209 Ca 0.13 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.89 5.10 -0.17 -0.61 1.01 -1.05 -5.04 121.20 118.56 3dfy s ILE 210 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 3dfy s ILE 210 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 3dfy s ILE 210 CO 0.00 0.57 -0.03 -0.62 0.00 0.00 0.00 174.94 174.86 3dfy s ASP 211 N -0.99 4.74 -0.24 3.58 2.15 -1.26 -4.12 116.67 120.54 3dfy s ASP 211 Ca 0.22 -0.17 -0.07 0.00 0.43 0.00 0.00 52.55 52.96 3dfy s ASP 211 Cb -0.16 -1.78 -0.03 0.00 -0.30 0.00 0.00 42.92 40.65 3dfy s ASP 211 CO 0.12 0.13 0.07 -0.63 -0.17 0.00 0.00 175.17 174.69 3dfy s ILE 212 N 0.57 4.39 0.11 4.11 1.01 -1.26 -4.37 121.20 125.76 3dfy s ILE 212 Ca -0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 3dfy s ILE 212 Cb -0.14 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.21 3dfy s ILE 212 CO 0.03 0.36 1.43 0.00 0.00 0.00 0.00 174.94 176.75 3dfy h ALA 213 N 7.95 0.46 -3.27 9.38 0.00 -1.18 -3.40 119.26 129.20 3dfy h ALA 213 Ca -0.37 -0.43 -0.33 0.00 0.00 0.00 0.00 54.91 53.77 3dfy h ALA 213 Cb 1.18 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.50 3dfy h ALA 213 CO 0.59 0.53 -0.70 0.08 0.00 0.00 0.00 179.25 179.75 3dfy s VAL 214 N -4.32 -0.14 -0.52 0.00 1.01 -1.22 -4.26 120.40 110.95 3dfy s VAL 214 Ca -0.12 0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 3dfy s VAL 214 Cb 0.09 -0.19 0.13 0.00 0.00 0.00 0.00 36.38 36.42 3dfy s VAL 214 CO 0.85 0.15 0.46 -0.47 0.00 0.00 0.00 175.10 176.09 3dfy s TYR 215 N 1.98 3.32 -0.05 5.22 5.04 0.94 -1.27 117.35 132.54 3dfy s TYR 215 Ca 0.02 -1.51 -0.25 0.00 -2.44 0.00 0.00 57.07 52.88 3dfy s TYR 215 Cb -0.12 -3.70 -0.03 0.00 0.35 0.00 0.00 41.96 38.46 3dfy s TYR 215 CO -0.04 -1.01 0.79 -2.00 -1.34 0.00 0.00 175.55 171.95 3dfy s GLU 216 N 1.47 4.48 -0.10 4.97 2.12 0.11 -0.13 118.70 131.63 3dfy s GLU 216 Ca 0.04 1.05 -0.03 0.00 0.36 0.00 0.00 54.97 56.39 3dfy s GLU 216 Cb -0.28 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.66 3dfy s GLU 216 CO 0.01 0.03 0.10 0.94 -0.54 0.00 0.00 175.26 175.80 3dfy n GLN 217 N 3.82 -0.27 0.11 4.30 -0.06 0.14 -1.95 117.38 123.46 3dfy n GLN 217 Ca 0.01 0.17 -0.04 0.00 -2.00 0.00 0.00 57.00 55.14 3dfy n GLN 217 Cb 0.51 -0.33 0.08 0.00 -4.06 0.00 0.00 30.24 26.45 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 0.57 0.05 -6.01 3.69 0.13 -1.84 0.40 132.00 128.99 3dfy h PRO 218 Ca -0.10 -0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.45 3dfy h PRO 218 Cb 0.22 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.31 3dfy h PRO 218 CO 0.05 0.75 -0.40 0.14 -0.23 0.00 0.00 178.00 178.31 3dfy s VAL 219 N -3.39 2.28 0.72 1.56 -7.23 -1.26 -1.54 120.40 111.54 3dfy s VAL 219 Ca -0.01 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 3dfy s VAL 219 Cb 0.12 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3dfy s VAL 219 CO 0.79 0.00 0.86 0.54 -0.31 0.00 0.00 175.10 176.97 3dfy n ARG 220 N -1.49 0.46 0.01 4.82 1.74 -1.26 -4.22 116.66 116.73 3dfy n ARG 220 Ca 0.01 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.36 3dfy n ARG 220 Cb 0.63 -2.12 0.48 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.26 0.42 0.00 5.56 0.11 -1.92 -2.49 114.38 115.80 3dfy h ARG 221 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3dfy h ARG 221 Cb 1.34 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3dfy h ARG 221 CO 0.46 0.28 -0.25 0.39 0.10 0.00 0.00 179.97 180.95 3dfy n GLU 222 N -4.48 0.01 -2.31 0.08 -0.58 -1.26 -4.47 120.64 107.63 3dfy n GLU 222 Ca 0.04 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.36 3dfy n GLU 222 Cb 0.16 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 -1.53 5.01 -0.28 1.62 2.03 -0.94 -4.73 116.55 117.73 3dfy n ASP 223 Ca 0.06 -3.09 -0.06 0.00 0.52 0.00 0.00 54.79 52.23 3dfy n ASP 223 Cb 0.34 -1.49 0.08 0.00 -0.72 0.00 0.00 41.12 39.32 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 3.78 1.26 -0.11 5.18 1.08 -1.83 -1.59 117.51 125.28 3dfy h ILE 224 Ca 0.40 -0.83 -0.07 0.00 -0.39 0.00 0.00 64.86 63.98 3dfy h ILE 224 Cb 0.64 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3dfy h ILE 224 CO 1.63 0.34 -0.26 -0.33 -0.69 0.00 0.00 178.15 178.85 3dfy h GLU 225 N 1.15 0.19 -0.34 2.37 4.39 -1.99 -1.95 114.58 118.40 3dfy h GLU 225 Ca 0.26 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 3dfy h GLU 225 Cb 0.22 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3dfy h GLU 225 CO -0.02 0.44 0.04 0.78 -1.16 0.00 0.00 179.01 179.09 3dfy h GLY 226 N 0.94 0.62 0.62 -3.84 0.00 -1.71 0.64 103.07 100.34 3dfy h GLY 226 Ca 0.03 -0.42 0.07 0.00 0.00 0.00 0.00 47.33 47.00 3dfy h GLY 226 CO 0.04 0.39 0.34 1.41 0.00 0.00 0.00 176.54 178.72 3dfy h LEU 227 N 0.40 0.48 -0.63 3.11 3.38 -0.95 0.16 115.31 121.25 3dfy h LEU 227 Ca 0.10 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3dfy h LEU 227 Cb 0.38 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3dfy h LEU 227 CO 0.01 0.30 0.29 0.50 0.09 0.00 0.00 178.44 179.63 3dfy h LYS 228 N 0.62 0.92 -0.29 1.13 3.64 -0.93 0.11 116.57 121.77 3dfy h LYS 228 Ca 0.30 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3dfy h LYS 228 Cb 0.23 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3dfy h LYS 228 CO -0.21 0.75 0.15 0.35 -2.27 0.00 0.00 179.45 178.23 3dfy h PHE 229 N 0.88 0.41 -0.43 1.91 3.57 -0.03 -0.47 116.94 122.78 3dfy h PHE 229 Ca 0.22 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3dfy h PHE 229 Cb 0.14 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3dfy h PHE 229 CO 0.00 0.35 0.12 0.28 -2.23 0.00 0.00 178.31 176.84 3dfy h VAL 230 N 0.35 1.22 -0.96 1.41 2.07 -0.76 -2.58 116.25 117.00 3dfy h VAL 230 Ca 0.10 -0.75 0.11 0.00 0.82 0.00 0.00 66.70 66.98 3dfy h VAL 230 Cb 0.08 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3dfy h VAL 230 CO -0.02 0.27 0.59 -0.09 0.02 0.00 0.00 177.57 178.35 3dfy h ARG 231 N 0.55 0.93 -0.42 1.57 2.43 -0.45 0.50 114.38 119.49 3dfy h ARG 231 Ca 0.14 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3dfy h ARG 231 Cb 0.28 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3dfy h ARG 231 CO -0.00 0.62 -0.24 0.35 -1.51 0.00 0.00 179.97 179.19 3dfy h PHE 232 N 0.96 0.99 0.00 2.20 3.57 -0.76 -3.28 116.94 120.63 3dfy h PHE 232 Ca 0.47 -0.24 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 3dfy h PHE 232 Cb 0.43 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3dfy h PHE 232 CO -0.02 1.01 -1.37 0.72 -2.23 0.00 0.00 178.31 176.42 3dfy n HIS 233 N -4.10 0.80 -2.43 0.41 8.25 -0.94 -4.93 115.22 112.28 3dfy n HIS 233 Ca -0.00 0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 3dfy n HIS 233 Cb 0.45 -0.95 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 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 -5.42 7.12 0.00 0.41 0.15 0.17 -4.91 113.70 111.22 3dfy s SER 234 Ca -0.03 2.08 0.30 0.00 0.70 0.00 0.00 55.95 59.00 3dfy s SER 234 Cb 0.10 -2.59 1.46 0.00 -1.71 0.00 0.00 66.02 63.28 3dfy s SER 234 CO 0.82 -0.39 2.01 -0.81 1.20 0.00 0.00 173.24 176.07 3dfy n PRO 235 N 3.24 0.51 -4.21 5.44 -0.04 -1.26 -4.80 135.00 133.88 3dfy n PRO 235 Ca 0.06 -0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 3dfy n PRO 235 Cb 0.46 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.53 2.87 0.24 0.54 0.08 -1.26 -5.03 117.98 112.89 3dfy s PHE 236 Ca 0.29 -0.08 -0.31 0.00 0.12 0.00 0.00 56.93 56.95 3dfy s PHE 236 Cb 0.20 -1.50 -0.12 0.00 -0.57 0.00 0.00 43.02 41.04 3dfy s PHE 236 CO 0.46 0.45 1.68 -2.14 -0.10 0.00 0.00 175.22 175.57 3dfy s PRO 237 N -2.17 4.12 -0.16 0.24 0.02 -1.26 -4.81 135.00 130.98 3dfy s PRO 237 Ca 0.23 2.60 -0.08 0.00 0.02 0.00 0.00 61.00 63.77 3dfy s PRO 237 Cb -0.11 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3dfy s PRO 237 CO 0.15 -0.72 0.11 0.08 -0.33 0.00 0.00 177.00 176.30 3dfy s VAL 238 N 0.80 5.25 0.09 3.83 1.01 -1.26 -0.04 120.40 130.08 3dfy s VAL 238 Ca 0.71 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.89 3dfy s VAL 238 Cb -0.49 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3dfy s VAL 238 CO 0.37 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.84 3dfy s ALA 239 N -0.16 2.80 -0.18 5.51 0.00 0.82 -0.76 121.76 129.79 3dfy s ALA 239 Ca 0.10 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 3dfy s ALA 239 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3dfy s ALA 239 CO 0.01 0.61 0.10 0.00 0.00 0.00 0.00 175.76 176.48 3dfy s ALA 240 N -1.11 3.61 0.00 0.00 0.00 -0.29 -0.69 121.76 123.28 3dfy s ALA 240 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3dfy s ALA 240 Cb -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3dfy s ALA 240 CO 0.10 0.25 0.00 -3.47 0.00 0.00 0.00 175.76 172.65 3dfy n ASP 241 N 3.23 0.00 -0.14 0.00 -0.08 -1.26 -0.71 116.55 117.59 3dfy n ASP 241 Ca -0.17 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.32 3dfy n ASP 241 Cb 0.53 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.60 3dfy n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3dfy h GLU 242 N 0.00 0.19 0.00 -0.67 3.07 -1.94 0.38 114.58 115.61 3dfy h GLU 242 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dfy h GLU 242 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3dfy h GLU 242 CO 0.00 0.12 0.00 0.43 -1.40 0.00 0.00 179.01 178.16 3dfy n SER 243 N -4.41 0.30 -3.93 1.42 7.64 -1.26 -4.35 113.62 109.03 3dfy n SER 243 Ca 0.15 0.55 -0.30 0.00 1.01 0.00 0.00 58.87 60.28 3dfy n SER 243 Cb 0.69 -0.62 -0.14 0.00 -1.01 0.00 0.00 64.21 63.13 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 -3.09 3.39 -0.19 -0.43 0.00 0.13 -4.74 121.76 116.85 3dfy s ALA 244 Ca 0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 51.96 48.64 3dfy s ALA 244 Cb 0.13 -2.16 -0.11 0.00 0.00 0.00 0.00 23.12 20.99 3dfy s ALA 244 CO 0.44 -2.04 -0.20 0.54 0.00 0.00 0.00 175.76 174.50 3dfy n ARG 245 N 2.87 0.44 -4.00 0.00 1.74 -1.26 -4.83 116.66 111.62 3dfy n ARG 245 Ca 0.08 0.14 -0.23 0.00 -0.77 0.00 0.00 57.85 57.06 3dfy n ARG 245 Cb 0.33 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.36 2.62 0.39 0.55 -4.23 -1.26 -3.31 115.64 108.04 3dfy s THR 246 Ca -0.26 -1.62 0.23 0.00 -1.18 0.00 0.00 61.69 58.86 3dfy s THR 246 Cb 0.08 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 71.17 3dfy s THR 246 CO 0.39 -0.06 2.00 0.07 -0.54 0.00 0.00 174.62 176.49 3dfy h LYS 247 N 1.39 0.00 -0.04 3.99 2.10 -1.94 -1.60 116.57 120.47 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 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3dfy h LYS 247 CO 0.65 0.17 -0.82 0.74 -2.00 0.00 0.00 179.45 178.19 3dfy h PHE 248 N 0.00 0.52 -0.34 0.07 0.04 -1.97 -1.73 116.94 113.53 3dfy h PHE 248 Ca -0.00 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 3dfy h PHE 248 Cb 0.41 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3dfy h PHE 248 CO 0.00 1.04 0.15 -0.44 -0.60 0.00 0.00 178.31 178.46 3dfy h ASP 249 N 0.23 0.45 -0.63 2.17 3.32 -1.64 -2.28 116.42 118.04 3dfy h ASP 249 Ca -0.05 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 3dfy h ASP 249 Cb 1.43 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 3dfy h ASP 249 CO 0.14 0.47 0.14 0.58 -1.72 0.00 0.00 179.24 178.85 3dfy h VAL 250 N 0.40 1.26 -0.84 -1.35 2.07 -1.36 -0.98 116.25 115.45 3dfy h VAL 250 Ca 0.11 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3dfy h VAL 250 Cb 0.15 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3dfy h VAL 250 CO -0.01 0.36 0.46 -0.03 0.02 0.00 0.00 177.57 178.37 3dfy h MET 251 N 0.99 1.16 -0.48 1.57 1.85 -1.15 -0.69 114.93 118.19 3dfy h MET 251 Ca 0.20 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 3dfy h MET 251 Cb 0.38 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 3dfy h MET 251 CO 0.01 0.85 0.21 -0.09 -0.40 0.00 0.00 176.91 177.49 3dfy h ARG 252 N 1.16 0.70 -0.92 0.39 2.43 -0.99 -0.58 114.38 116.57 3dfy h ARG 252 Ca 0.29 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3dfy h ARG 252 Cb 0.03 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3dfy h ARG 252 CO -0.05 0.62 0.55 -0.07 -1.51 0.00 0.00 179.97 179.50 3dfy h LEU 253 N 0.63 1.12 0.06 3.80 3.38 -0.61 -0.72 115.31 122.96 3dfy h LEU 253 Ca 0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dfy h LEU 253 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dfy h LEU 253 CO -0.02 0.86 -0.03 0.58 0.09 0.00 0.00 178.44 179.93 3dfy h VAL 254 N 1.27 1.09 -0.35 1.22 2.07 -0.82 0.05 116.25 120.78 3dfy h VAL 254 Ca 0.33 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3dfy h VAL 254 Cb -0.04 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3dfy h VAL 254 CO -0.06 0.13 0.24 0.11 0.02 0.00 0.00 177.57 178.00 3dfy h LYS 255 N -0.30 0.35 -0.00 1.57 1.57 -0.87 -0.71 116.57 118.18 3dfy h LYS 255 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3dfy h LYS 255 Cb 0.27 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dfy h LYS 255 CO 0.01 0.23 -0.29 0.39 -0.57 0.00 0.00 179.45 179.22 3dfy n GLU 256 N -4.49 0.18 -3.78 3.15 -0.58 -0.30 -4.94 120.64 109.89 3dfy n GLU 256 Ca 0.03 -0.08 -0.26 0.00 -0.42 0.00 0.00 57.16 56.43 3dfy n GLU 256 Cb 0.15 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.57 3dfy n GLU 256 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dfy n GLU 257 N -1.34 -5.93 0.06 3.49 1.02 -0.07 -4.92 120.64 112.95 3dfy n GLU 257 Ca 0.08 0.66 -0.04 0.00 -0.02 0.00 0.00 57.16 57.84 3dfy n GLU 257 Cb 0.33 -5.52 -0.08 0.00 -0.02 0.00 0.00 31.44 26.15 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 0.95 0.56 -2.41 0.62 0.00 -1.63 -3.46 119.26 113.90 3dfy h ALA 258 Ca -0.59 -0.90 -0.20 0.00 0.00 0.00 0.00 54.91 53.22 3dfy h ALA 258 Cb 1.37 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 3dfy h ALA 258 CO 0.61 1.11 -0.65 0.14 0.00 0.00 0.00 179.25 180.47 3dfy s VAL 259 N -2.78 0.19 -0.14 0.00 -7.23 -1.26 -3.19 120.40 105.98 3dfy s VAL 259 Ca 0.00 -1.92 0.17 0.00 -1.81 0.00 0.00 61.98 58.41 3dfy s VAL 259 Cb 0.09 -2.08 -0.24 0.00 0.56 0.00 0.00 36.38 34.71 3dfy s VAL 259 CO 0.80 -0.45 0.31 0.47 -0.31 0.00 0.00 175.10 175.93 3dfy n ASP 260 N -0.13 0.30 -4.18 4.85 8.00 0.06 -4.95 116.55 120.51 3dfy n ASP 260 Ca -0.05 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 3dfy n ASP 260 Cb 0.64 0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 42.35 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 -2.63 1.05 -0.06 1.24 1.51 -0.48 -0.80 117.35 117.19 3dfy s TYR 261 Ca -0.08 -0.69 0.02 0.00 -1.01 0.00 0.00 57.07 55.31 3dfy s TYR 261 Cb 0.07 -0.57 0.01 0.00 -0.11 0.00 0.00 41.96 41.36 3dfy s TYR 261 CO 0.83 -0.01 -0.12 0.08 -1.11 0.00 0.00 175.55 175.22 3dfy s VAL 262 N -2.66 1.10 -0.45 0.71 1.01 -0.80 -1.14 120.40 118.17 3dfy s VAL 262 Ca 0.07 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 3dfy s VAL 262 Cb -0.01 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.41 3dfy s VAL 262 CO -0.01 0.34 0.44 0.21 0.00 0.00 0.00 175.10 176.09 3dfy s ASN 263 N 0.55 6.17 0.10 3.32 2.47 0.11 -2.53 114.94 125.13 3dfy s ASN 263 Ca -0.12 -0.96 -0.27 0.00 0.42 0.00 0.00 52.86 51.93 3dfy s ASN 263 Cb -0.14 -2.22 -0.06 0.00 -1.45 0.00 0.00 41.25 37.38 3dfy s ASN 263 CO 0.03 -0.65 0.84 -0.63 -3.72 0.00 0.00 177.10 172.98 3dfy s ILE 264 N 2.02 4.54 -0.09 -5.21 1.01 -0.34 -4.69 121.20 118.44 3dfy s ILE 264 Ca 0.09 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.56 3dfy s ILE 264 Cb -0.20 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.09 3dfy s ILE 264 CO 0.11 0.39 -0.07 -0.54 0.00 0.00 0.00 174.94 174.83 3dfy s LYS 265 N -0.34 1.32 0.47 2.79 1.02 -1.26 -0.57 119.74 123.16 3dfy s LYS 265 Ca 0.41 -0.21 0.13 0.00 0.02 0.00 0.00 55.97 56.32 3dfy s LYS 265 Cb -0.22 -1.34 1.09 0.00 -0.52 0.00 0.00 37.83 36.84 3dfy s LYS 265 CO 0.26 -0.18 2.08 -0.07 -0.92 0.00 0.00 175.35 176.53 3dfy h LEU 266 N 7.77 0.23 -1.95 3.17 3.38 -1.87 -0.12 115.31 125.92 3dfy h LEU 266 Ca -0.30 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3dfy h LEU 266 Cb 1.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dfy h LEU 266 CO 0.41 0.16 0.00 0.24 0.09 0.00 0.00 178.44 179.34 3dfy h MET 267 N 0.27 0.00 0.03 1.13 2.86 -1.91 0.33 114.93 117.64 3dfy h MET 267 Ca 0.12 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.37 3dfy h MET 267 Cb 0.13 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 3dfy h MET 267 CO -0.02 0.00 -2.27 1.63 1.06 0.00 0.00 176.91 177.30 3dfy n LYS 268 N -2.87 0.66 -0.04 1.72 5.02 -0.15 -2.64 118.16 119.87 3dfy n LYS 268 Ca -0.01 0.23 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 3dfy n LYS 268 Cb 0.17 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.45 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 -3.55 0.61 0.00 4.39 7.64 -0.65 -4.69 113.62 117.36 3dfy n SER 269 Ca -0.43 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.45 3dfy n SER 269 Cb 0.97 1.49 0.00 0.00 -1.01 0.00 0.00 64.21 65.66 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 1.61 -1.62 0.19 0.23 0.00 0.11 -3.48 105.19 102.24 3dfy n GLY 270 Ca -0.14 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 1.33 0.34 -0.61 1.08 -1.84 -2.64 117.51 115.17 3dfy h ILE 271 Ca 0.00 -1.60 -0.00 0.00 -0.39 0.00 0.00 64.86 62.87 3dfy h ILE 271 Cb 0.00 1.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 3dfy h ILE 271 CO 0.00 0.50 -0.48 0.77 -0.69 0.00 0.00 178.15 178.25 3dfy h SER 272 N 0.30 -1.35 -0.00 1.72 4.64 -1.95 0.02 113.55 116.93 3dfy h SER 272 Ca 0.01 0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3dfy h SER 272 Cb 0.97 0.47 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 3dfy h SER 272 CO 0.08 -0.60 -0.15 0.44 -0.87 0.00 0.00 176.83 175.74 3dfy h ASP 273 N -0.86 0.29 -0.65 4.97 5.19 -1.68 -2.45 116.42 121.22 3dfy h ASP 273 Ca -0.03 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 3dfy h ASP 273 Cb 0.80 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.20 3dfy h ASP 273 CO -0.14 0.46 0.36 0.00 -3.12 0.00 0.00 179.24 176.80 3dfy h ALA 274 N 1.57 0.83 -0.62 3.45 0.00 -1.06 0.58 119.26 124.02 3dfy h ALA 274 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3dfy h ALA 274 Cb 0.43 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3dfy h ALA 274 CO 0.03 0.35 0.09 -0.07 0.00 0.00 0.00 179.25 179.65 3dfy h LEU 275 N 0.89 0.96 -0.52 0.00 3.38 -0.64 -1.82 115.31 117.56 3dfy h LEU 275 Ca 0.23 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3dfy h LEU 275 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3dfy h LEU 275 CO -0.04 0.96 0.09 0.00 0.09 0.00 0.00 178.44 179.55 3dfy h ALA 276 N 1.15 0.69 -0.85 1.53 0.00 -0.98 -2.64 119.26 118.15 3dfy h ALA 276 Ca 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dfy h ALA 276 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3dfy h ALA 276 CO 0.01 0.42 0.41 0.82 0.00 0.00 0.00 179.25 180.91 3dfy h ILE 277 N 0.74 1.26 -0.45 0.00 2.04 -0.63 -0.03 117.51 120.44 3dfy h ILE 277 Ca 0.16 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3dfy h ILE 277 Cb 0.39 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3dfy h ILE 277 CO 0.01 0.31 0.27 0.58 0.00 0.00 0.00 178.15 179.33 3dfy h VAL 278 N 1.21 1.06 -0.62 1.67 2.07 -1.15 0.18 116.25 120.67 3dfy h VAL 278 Ca 0.29 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 3dfy h VAL 278 Cb 0.11 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3dfy h VAL 278 CO -0.04 0.10 0.03 -0.33 0.02 0.00 0.00 177.57 177.35 3dfy h GLU 279 N 0.55 1.08 -0.28 1.57 4.39 -1.04 -1.79 114.58 119.06 3dfy h GLU 279 Ca 0.18 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 3dfy h GLU 279 Cb -0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3dfy h GLU 279 CO -0.07 1.03 0.08 0.82 -1.16 0.00 0.00 179.01 179.71 3dfy h ILE 280 N 0.98 1.20 -0.26 3.13 2.04 -0.71 -2.57 117.51 121.33 3dfy h ILE 280 Ca 0.18 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3dfy h ILE 280 Cb 0.53 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3dfy h ILE 280 CO 0.03 0.22 0.15 0.00 0.00 0.00 0.00 178.15 178.54 3dfy h ALA 281 N 0.91 0.32 0.00 1.87 0.00 -0.83 -1.70 119.26 119.83 3dfy h ALA 281 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dfy h ALA 281 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dfy h ALA 281 CO -0.00 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.40 3dfy n GLU 282 N -4.94 0.11 -0.08 0.00 1.02 -0.69 -1.94 120.64 114.12 3dfy n GLU 282 Ca -0.02 0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.37 3dfy n GLU 282 Cb 0.04 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.41 2.64 -0.34 1.62 7.64 -0.70 -4.59 113.62 118.48 3dfy n SER 283 Ca 0.06 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.17 3dfy n SER 283 Cb 0.18 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.93 0.00 -0.07 6.43 3.41 -0.82 -5.02 113.62 118.48 3dfy n SER 284 Ca 0.12 -1.67 -0.01 0.00 -0.26 0.00 0.00 58.87 57.04 3dfy n SER 284 Cb 0.43 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.00 0.46 3.81 5.00 0.00 -1.04 -5.02 105.19 108.40 3dfy n GLY 285 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.22 4.47 0.29 0.99 2.96 -0.88 -5.00 118.68 121.30 3dfy s LEU 286 Ca 0.00 1.40 0.06 0.00 -0.22 0.00 0.00 54.13 55.36 3dfy s LEU 286 Cb 0.00 -3.26 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 3dfy s LEU 286 CO 0.00 0.17 0.42 -0.54 -1.32 0.00 0.00 176.35 175.08 3dfy s LYS 287 N -1.47 3.27 0.08 1.98 1.02 0.02 -4.45 119.74 120.18 3dfy s LYS 287 Ca 0.36 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.50 3dfy s LYS 287 Cb -0.19 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3dfy s LYS 287 CO 0.22 0.23 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.26 3dfy s LEU 288 N -4.09 2.34 0.09 3.17 1.43 -1.26 -1.91 118.68 118.45 3dfy s LEU 288 Ca 0.40 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3dfy s LEU 288 Cb -0.09 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 3dfy s LEU 288 CO 0.30 -0.21 -0.03 0.00 0.23 0.00 0.00 176.35 176.65 3dfy s MET 289 N -2.24 0.80 -0.03 1.70 0.23 -1.05 -0.59 119.30 118.12 3dfy s MET 289 Ca -0.00 -1.33 0.04 0.00 -1.03 0.00 0.00 55.69 53.37 3dfy s MET 289 Cb -0.06 -0.01 -0.00 0.00 -1.53 0.00 0.00 34.83 33.23 3dfy s MET 289 CO 0.01 -0.09 -0.14 -1.50 -2.03 0.00 0.00 175.02 171.26 3dfy s ILE 290 N -3.79 1.19 0.00 3.16 2.07 -1.00 -1.19 121.20 121.64 3dfy s ILE 290 Ca 0.13 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 3dfy s ILE 290 Cb 0.07 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.62 3dfy s ILE 290 CO -0.05 0.35 0.00 0.61 -1.91 0.00 0.00 174.94 173.94 3dfy n GLY 291 N 3.15 6.18 3.63 1.50 0.00 0.26 -0.06 105.19 119.86 3dfy n GLY 291 Ca -0.18 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.54 0.00 -1.23 0.00 2.81 -1.26 -4.98 117.12 111.91 3dfy n MET 293 Ca -0.03 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.84 3dfy n MET 293 Cb 0.61 0.00 0.12 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 4.65 4.58 3.72 3.03 0.00 -1.26 -4.78 105.19 115.12 3dfy n GLY 294 Ca 0.00 -1.54 -0.39 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 -0.74 1.60 -1.55 1.61 4.71 -1.26 -4.89 120.64 120.12 3dfy n GLU 295 Ca 0.22 0.59 -0.13 0.00 -0.01 0.00 0.00 57.16 57.83 3dfy n GLU 295 Cb 0.84 -2.48 0.07 0.00 -1.01 0.00 0.00 31.44 28.85 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 -0.80 0.61 -0.24 1.62 3.41 -1.26 -2.88 113.62 114.08 3dfy n SER 296 Ca 0.10 -1.55 0.06 0.00 -0.26 0.00 0.00 58.87 57.22 3dfy n SER 296 Cb 0.44 -0.38 0.31 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.43 0.77 -0.41 4.04 4.64 -1.94 0.85 113.55 121.06 3dfy h SER 297 Ca -0.19 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 3dfy h SER 297 Cb 0.65 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3dfy h SER 297 CO 0.19 0.49 -0.13 0.25 -0.87 0.00 0.00 176.83 176.76 3dfy h LEU 298 N 0.87 0.88 -0.28 5.97 6.46 -1.94 -1.91 115.31 125.36 3dfy h LEU 298 Ca 0.35 -0.29 -0.18 0.00 -0.12 0.00 0.00 57.88 57.65 3dfy h LEU 298 Cb 0.25 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3dfy h LEU 298 CO -0.13 1.02 -0.51 1.23 -0.62 0.00 0.00 178.44 179.43 3dfy h GLY 299 N 0.96 0.92 2.00 3.75 0.00 -1.62 -3.00 103.07 106.08 3dfy h GLY 299 Ca 0.12 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.35 3dfy h GLY 299 CO 0.05 0.96 -0.17 1.19 0.00 0.00 0.00 176.54 178.57 3dfy h ILE 300 N 0.61 0.71 -0.49 2.60 6.09 -0.78 -1.68 117.51 124.58 3dfy h ILE 300 Ca 0.02 -0.69 0.08 0.00 -1.37 0.00 0.00 64.86 62.90 3dfy h ILE 300 Cb 1.12 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 39.80 3dfy h ILE 300 CO 0.11 0.16 0.33 -1.13 -3.07 0.00 0.00 178.15 174.56 3dfy h ASN 301 N 0.00 0.30 -0.08 2.19 -1.24 -1.19 -0.97 115.58 114.58 3dfy h ASN 301 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3dfy h ASN 301 Cb 0.41 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 3dfy h ASN 301 CO 0.02 0.19 0.05 1.56 -1.29 0.00 0.00 177.43 177.96 3dfy h GLN 302 N 0.34 0.12 -0.11 6.67 4.20 -1.39 -2.09 115.11 122.84 3dfy h GLN 302 Ca 0.22 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 3dfy h GLN 302 Cb 0.44 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3dfy h GLN 302 CO -0.05 0.13 -0.51 0.77 -0.67 0.00 0.00 178.83 178.49 3dfy h SER 303 N 0.07 0.32 -0.34 1.46 0.02 -1.43 -2.24 113.55 111.41 3dfy h SER 303 Ca 0.03 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3dfy h SER 303 Cb 0.04 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3dfy h SER 303 CO -0.01 0.78 0.05 0.58 -1.14 0.00 0.00 176.83 177.10 3dfy h VAL 304 N 0.23 1.24 -0.25 2.27 2.07 -1.09 0.28 116.25 120.99 3dfy h VAL 304 Ca 0.01 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 3dfy h VAL 304 Cb 0.99 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3dfy h VAL 304 CO 0.08 0.28 -0.19 0.45 0.02 0.00 0.00 177.57 178.21 3dfy h HIS 305 N 0.40 0.49 -0.20 1.57 -0.00 -1.35 0.14 115.15 116.21 3dfy h HIS 305 Ca 0.10 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3dfy h HIS 305 Cb 0.36 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 3dfy h HIS 305 CO 0.02 0.62 -0.08 0.35 -0.00 0.00 0.00 177.93 178.85 3dfy h PHE 306 N 0.41 0.46 -0.61 2.45 3.57 -1.00 -0.84 116.94 121.38 3dfy h PHE 306 Ca 0.07 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 3dfy h PHE 306 Cb 0.57 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3dfy h PHE 306 CO 0.02 0.68 0.02 0.00 -2.23 0.00 0.00 178.31 176.80 3dfy h ALA 307 N 0.71 0.89 -0.11 2.41 0.00 -0.19 -2.08 119.26 120.89 3dfy h ALA 307 Ca 0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3dfy h ALA 307 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dfy h ALA 307 CO 0.03 0.66 -0.14 -0.07 0.00 0.00 0.00 179.25 179.72 3dfy h LEU 308 N 0.96 0.32 0.09 0.00 3.38 -0.72 -1.21 115.31 118.14 3dfy h LEU 308 Ca 0.18 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3dfy h LEU 308 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dfy h LEU 308 CO 0.03 0.77 -0.04 1.23 0.09 0.00 0.00 178.44 180.51 3dfy h GLY 309 N -0.11 -0.12 2.00 0.83 0.00 -1.13 -0.96 103.07 103.57 3dfy h GLY 309 Ca 0.01 0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 3dfy h GLY 309 CO 0.03 -0.04 -0.91 -0.91 0.00 0.00 0.00 176.54 174.71 3dfy h THR 310 N -0.27 1.60 -2.51 4.70 1.35 -1.50 -1.34 112.91 114.94 3dfy h THR 310 Ca -0.01 -3.17 -0.35 0.00 -0.55 0.00 0.00 66.41 62.32 3dfy h THR 310 Cb 0.23 2.73 -0.06 0.00 -1.73 0.00 0.00 68.15 69.32 3dfy h THR 310 CO 0.02 0.89 -0.40 0.61 -0.25 0.00 0.00 175.52 176.39 3dfy n GLY 311 N 1.22 0.32 0.01 5.82 0.00 -0.46 -4.80 105.19 107.30 3dfy n GLY 311 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.93 2.75 -2.80 4.61 0.00 -1.26 -4.92 120.51 117.96 3dfy n ALA 312 Ca -0.20 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 52.71 3dfy n ALA 312 Cb 0.63 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.01 3.39 0.09 0.00 0.08 -1.26 -4.43 117.98 112.84 3dfy s PHE 313 Ca 0.12 0.30 -0.13 0.00 0.12 0.00 0.00 56.93 57.34 3dfy s PHE 313 Cb 0.18 -2.03 -0.18 0.00 -0.57 0.00 0.00 43.02 40.42 3dfy s PHE 313 CO 0.60 0.41 1.27 0.93 -0.10 0.00 0.00 175.22 178.33 3dfy h GLU 314 N 5.99 0.77 -5.25 0.44 4.39 -1.20 -3.46 114.58 116.26 3dfy h GLU 314 Ca -0.45 -0.68 -0.38 0.00 0.34 0.00 0.00 59.36 58.18 3dfy h GLU 314 Cb 1.18 0.16 -0.18 0.00 -0.10 0.00 0.00 28.75 29.81 3dfy h GLU 314 CO 0.66 1.28 -0.75 -0.06 -1.16 0.00 0.00 179.01 178.98 3dfy s PHE 315 N -3.63 1.26 -0.09 4.33 0.08 -1.24 -5.06 117.98 113.63 3dfy s PHE 315 Ca -0.10 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.38 3dfy s PHE 315 Cb 0.08 -0.67 0.02 0.00 -0.57 0.00 0.00 43.02 41.88 3dfy s PHE 315 CO 0.91 0.09 -0.08 -1.01 -0.10 0.00 0.00 175.22 175.02 3dfy s HIS 316 N -2.14 1.38 -0.72 0.36 3.76 -1.25 -2.38 115.29 114.32 3dfy s HIS 316 Ca 0.06 -0.61 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 3dfy s HIS 316 Cb -0.05 -1.12 0.26 0.00 1.11 0.00 0.00 32.58 32.78 3dfy s HIS 316 CO 0.02 -0.41 0.86 -3.47 -0.85 0.00 0.00 174.74 170.89 3dfy n ASP 317 N 4.54 4.19 -3.41 1.40 2.03 0.91 -0.98 116.55 125.24 3dfy n ASP 317 Ca -0.16 -3.43 -0.28 0.00 0.52 0.00 0.00 54.79 51.44 3dfy n ASP 317 Cb 0.51 -0.78 -0.07 0.00 -0.72 0.00 0.00 41.12 40.06 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 0.98 3.99 -0.26 -2.67 4.77 -1.26 -3.07 117.00 119.47 3dfy n LEU 318 Ca 0.29 -5.46 0.02 0.00 -0.03 0.00 0.00 56.01 50.83 3dfy n LEU 318 Cb 0.39 -0.69 0.06 0.00 -2.33 0.00 0.00 43.42 40.85 3dfy n LEU 318 CO 0.46 2.07 0.50 -0.90 -1.33 0.00 0.00 177.39 178.18 3dfy n ASP 319 N 0.77 2.16 -0.36 -1.43 5.75 -1.26 -4.74 116.55 117.44 3dfy n ASP 319 Ca 0.30 -1.81 -0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3dfy n ASP 319 Cb 0.40 -0.08 0.15 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.90 1.09 1.06 -1.12 4.64 -1.86 -1.32 113.55 116.94 3dfy h SER 320 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3dfy h SER 320 Cb 0.51 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3dfy h SER 320 CO 0.00 0.76 -0.07 1.12 -0.87 0.00 0.00 176.83 177.77 3dfy h HIS 321 N 1.27 0.00 0.00 4.77 2.07 -1.80 -2.75 115.15 118.71 3dfy h HIS 321 Ca 0.39 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.88 3dfy h HIS 321 Cb -0.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.95 3dfy h HIS 321 CO -0.00 0.07 -0.14 -0.07 -3.07 0.00 0.00 177.93 174.72 3dfy h LEU 322 N 0.00 0.00 -3.56 6.12 3.38 -1.57 -3.15 115.31 116.53 3dfy h LEU 322 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3dfy h LEU 322 Cb 0.62 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3dfy h LEU 322 CO 0.01 0.14 0.12 0.23 0.09 0.00 0.00 178.44 179.03 3dfy n MET 323 N -3.16 3.61 0.00 1.13 2.81 -1.04 -5.02 117.12 115.44 3dfy n MET 323 Ca 0.02 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.85 3dfy n MET 323 Cb 0.52 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 3dfy n MET 323 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dfy n LEU 324 N -0.18 0.00 -4.68 4.03 4.77 -1.19 -2.58 117.00 117.17 3dfy n LEU 324 Ca 0.33 0.00 -0.65 0.00 -0.03 0.00 0.00 56.01 55.65 3dfy n LEU 324 Cb 1.20 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.20 3dfy n LEU 324 CO 0.33 0.00 0.99 0.52 -1.33 0.00 0.00 177.39 177.90 3dfy n VAL 328 N 0.00 0.00 -1.66 4.08 0.31 -1.26 -4.84 118.33 114.96 3dfy n VAL 328 Ca 0.00 -0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.84 3dfy n VAL 328 Cb 0.00 -0.36 -0.05 0.00 -0.91 0.00 0.00 33.84 32.51 3dfy n VAL 328 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3dfy n PHE 329 N 3.31 2.10 -0.73 3.52 7.35 -1.26 -4.89 117.46 126.86 3dfy n PHE 329 Ca 0.28 0.31 0.05 0.00 -0.76 0.00 0.00 57.45 57.32 3dfy n PHE 329 Cb -0.02 -2.52 0.06 0.00 0.35 0.00 0.00 39.48 37.35 3dfy n PHE 329 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3dfy n ARG 330 N 4.35 1.74 -2.77 -4.13 1.74 -1.26 -5.05 116.66 111.29 3dfy n ARG 330 Ca 0.20 -1.88 -0.27 0.00 -0.77 0.00 0.00 57.85 55.14 3dfy n ARG 330 Cb 0.25 -1.15 -0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 -1.78 1.47 -0.84 -0.13 0.00 -1.25 -4.15 107.32 100.64 3dfy s GLY 331 Ca 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3dfy s GLY 331 CO 0.01 -0.45 1.66 0.28 0.00 0.00 0.00 173.10 174.61 3dfy n LYS 332 N -2.18 4.10 -3.90 2.90 5.02 -1.26 -4.93 118.16 117.90 3dfy n LYS 332 Ca -0.00 -4.36 -0.09 0.00 -2.02 0.00 0.00 58.31 51.84 3dfy n LYS 332 Cb 0.55 -2.35 -0.01 0.00 -0.02 0.00 0.00 35.03 33.20 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 -4.03 0.18 -0.21 2.13 -0.12 -1.26 -4.84 117.98 109.82 3dfy s PHE 333 Ca 0.45 -0.66 -0.06 0.00 -0.05 0.00 0.00 56.93 56.61 3dfy s PHE 333 Cb 0.30 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 43.22 3dfy s PHE 333 CO -0.22 -1.29 0.02 0.42 -0.05 0.00 0.00 175.22 174.09 3dfy s ILE 334 N -3.28 4.07 -0.38 -4.49 1.01 0.14 -4.95 121.20 113.31 3dfy s ILE 334 Ca 0.17 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 3dfy s ILE 334 Cb -0.04 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.58 3dfy s ILE 334 CO 0.11 0.41 0.38 -1.58 0.00 0.00 0.00 174.94 174.26 3dfy s GLN 335 N 1.10 3.30 -0.56 2.79 2.00 -1.26 -1.48 119.66 125.55 3dfy s GLN 335 Ca 0.03 -0.63 0.04 0.00 -2.00 0.00 0.00 55.36 52.80 3dfy s GLN 335 Cb -0.14 -3.89 0.14 0.00 0.80 0.00 0.00 33.01 29.92 3dfy s GLN 335 CO 0.02 -0.69 0.33 0.34 -0.50 0.00 0.00 175.29 174.79 3dfy s ASP 336 N 1.76 4.28 1.74 6.67 2.15 0.02 -5.01 116.67 128.28 3dfy s ASP 336 Ca 0.11 -3.22 0.00 0.00 0.43 0.00 0.00 52.55 49.87 3dfy s ASP 336 Cb -0.17 -1.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 3dfy s ASP 336 CO 0.12 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 3dfy n GLY 337 N 2.81 2.86 0.04 2.66 0.00 -1.26 -1.32 105.19 110.98 3dfy n GLY 337 Ca 0.11 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 13.49 0.88 -3.89 1.61 -0.04 -1.26 -4.87 135.00 140.92 3dfy n PRO 338 Ca 0.00 -0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 3dfy n PRO 338 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.17 3.45 -0.03 0.54 0.52 -0.43 -0.53 118.95 120.31 3dfy s ARG 339 Ca 0.41 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 3dfy s ARG 339 Cb 0.21 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.79 3dfy s ARG 339 CO 0.40 0.47 -0.02 -1.64 0.02 0.00 0.00 175.30 174.53 3dfy s MET 340 N -3.46 0.42 0.14 3.54 -1.94 -0.08 -0.80 119.30 117.12 3dfy s MET 340 Ca 0.35 -0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 3dfy s MET 340 Cb -0.10 -0.53 -0.04 0.00 2.01 0.00 0.00 34.83 36.17 3dfy s MET 340 CO 0.29 -0.08 0.02 1.03 -0.01 0.00 0.00 175.02 176.28 3dfy s ARG 341 N 0.77 0.98 0.41 2.03 0.52 -0.55 -1.21 118.95 121.91 3dfy s ARG 341 Ca -0.08 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 53.67 3dfy s ARG 341 Cb -0.12 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 3dfy s ARG 341 CO -0.01 -0.19 0.63 0.54 0.02 0.00 0.00 175.30 176.29 3dfy s VAL 342 N -3.86 4.38 0.00 3.52 0.11 -1.20 0.24 120.40 123.59 3dfy s VAL 342 Ca 0.23 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 3dfy s VAL 342 Cb 0.07 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 3dfy s VAL 342 CO 0.02 -0.41 0.32 1.17 -3.33 0.00 0.00 175.10 172.86