#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 4.11 -0.29 0.55 1.01 -0.19 -0.73 121.20 125.65 3dfy s ILE 4 Ca 0.00 1.46 0.09 0.00 0.00 0.00 0.00 60.65 62.20 3dfy s ILE 4 Cb 0.00 -3.94 -0.12 0.00 0.01 0.00 0.00 42.46 38.41 3dfy s ILE 4 CO 0.00 0.02 0.33 1.33 0.00 0.00 0.00 174.94 176.62 3dfy n VAL 5 N 4.49 0.00 -3.60 2.92 0.24 0.11 -0.27 118.33 122.22 3dfy n VAL 5 Ca 0.11 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 3dfy n VAL 5 Cb 0.46 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 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 -2.31 -0.67 -0.08 -1.34 2.47 -0.93 -4.95 114.94 107.14 3dfy s ASN 6 Ca 0.01 1.14 0.01 0.00 0.42 0.00 0.00 52.86 54.44 3dfy s ASN 6 Cb 0.07 1.10 0.02 0.00 -1.45 0.00 0.00 41.25 40.99 3dfy s ASN 6 CO 0.39 -0.34 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.65 3dfy s VAL 7 N -0.12 0.96 -0.04 -5.21 1.01 -1.26 -0.43 120.40 115.31 3dfy s VAL 7 Ca -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3dfy s VAL 7 Cb -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3dfy s VAL 7 CO 0.03 0.33 -0.08 -0.75 0.00 0.00 0.00 175.10 174.63 3dfy s LYS 8 N 1.11 1.09 0.02 2.72 2.47 0.07 -4.84 119.74 122.38 3dfy s LYS 8 Ca -0.07 -0.26 -0.02 0.00 -1.56 0.00 0.00 55.97 54.07 3dfy s LYS 8 Cb -0.14 -1.00 -0.04 0.00 -1.46 0.00 0.00 37.83 35.19 3dfy s LYS 8 CO -0.01 0.02 0.20 -0.51 0.16 0.00 0.00 175.35 175.21 3dfy s LEU 9 N 0.58 4.36 -0.03 5.43 1.02 -1.26 -1.24 118.68 127.54 3dfy s LEU 9 Ca -0.09 0.34 -0.07 0.00 0.02 0.00 0.00 54.13 54.33 3dfy s LEU 9 Cb -0.13 -2.76 0.01 0.00 0.02 0.00 0.00 46.19 43.33 3dfy s LEU 9 CO 0.01 0.22 0.15 -0.44 0.02 0.00 0.00 176.35 176.32 3dfy s SER 10 N -2.14 -0.07 -0.24 2.29 0.01 -0.63 -4.97 113.70 107.96 3dfy s SER 10 Ca 0.30 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.52 3dfy s SER 10 Cb -0.13 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.33 3dfy s SER 10 CO 0.22 -0.22 0.15 -0.22 0.41 0.00 0.00 173.24 173.58 3dfy s LEU 11 N -0.67 4.05 -0.04 2.44 2.96 -1.26 -0.34 118.68 125.82 3dfy s LEU 11 Ca -0.08 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3dfy s LEU 11 Cb -0.04 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3dfy s LEU 11 CO 0.01 0.07 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.48 3dfy s LYS 12 N 1.05 1.15 -0.04 1.98 1.02 -0.51 -4.99 119.74 119.41 3dfy s LYS 12 Ca 0.07 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 3dfy s LYS 12 Cb -0.14 -1.04 -0.04 0.00 -0.52 0.00 0.00 37.83 36.10 3dfy s LYS 12 CO 0.04 0.04 0.09 0.50 -0.92 0.00 0.00 175.35 175.10 3dfy s ARG 13 N 0.53 3.17 -0.05 1.68 3.52 -1.26 -1.47 118.95 125.07 3dfy s ARG 13 Ca -0.09 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3dfy s ARG 13 Cb -0.12 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.34 3dfy s ARG 13 CO 0.01 0.69 -0.05 0.71 -0.81 0.00 0.00 175.30 175.85 3dfy s TYR 14 N -1.12 0.83 -0.10 5.12 2.02 0.79 -4.98 117.35 119.91 3dfy s TYR 14 Ca 0.20 -0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 3dfy s TYR 14 Cb -0.12 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.69 3dfy s TYR 14 CO 0.10 -0.20 0.30 -1.21 -1.57 0.00 0.00 175.55 172.98 3dfy s GLU 15 N 0.87 3.96 0.60 -0.62 2.02 -1.26 0.86 118.70 125.13 3dfy s GLU 15 Ca -0.12 0.16 -0.13 0.00 0.02 0.00 0.00 54.97 54.90 3dfy s GLU 15 Cb -0.15 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 3dfy s GLU 15 CO 0.01 0.51 1.02 0.71 0.02 0.00 0.00 175.26 177.54 3dfy s TYR 16 N -0.40 3.44 0.27 1.61 2.02 -1.07 -4.50 117.35 118.72 3dfy s TYR 16 Ca 0.19 1.38 0.05 0.00 -0.37 0.00 0.00 57.07 58.32 3dfy s TYR 16 Cb -0.14 -2.79 0.36 0.00 -0.40 0.00 0.00 41.96 38.99 3dfy s TYR 16 CO 0.07 -0.72 1.64 1.49 -1.57 0.00 0.00 175.55 176.46 3dfy h GLU 17 N 0.05 0.27 -3.46 -0.62 4.57 -1.84 -3.46 114.58 110.08 3dfy h GLU 17 Ca -0.45 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 57.53 3dfy h GLU 17 Cb 1.19 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.67 3dfy h GLU 17 CO 0.61 0.69 -0.11 0.15 -1.18 0.00 0.00 179.01 179.17 3dfy s LYS 18 N -4.03 1.10 0.33 1.92 -0.14 -1.26 -5.14 119.74 112.52 3dfy s LYS 18 Ca -0.05 -0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 53.48 3dfy s LYS 18 Cb 0.13 0.46 -0.11 0.00 -1.68 0.00 0.00 37.83 36.62 3dfy s LYS 18 CO 0.79 -0.43 1.51 -2.14 -0.76 0.00 0.00 175.35 174.32 3dfy s PRO 19 N -3.83 4.14 -0.30 -1.68 0.02 -1.26 -4.79 135.00 127.30 3dfy s PRO 19 Ca 0.05 2.53 -0.09 0.00 0.02 0.00 0.00 61.00 63.51 3dfy s PRO 19 Cb 0.02 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.52 3dfy s PRO 19 CO -0.10 -0.54 0.13 0.12 -0.33 0.00 0.00 177.00 176.28 3dfy s PHE 20 N -0.59 3.16 -0.14 6.54 5.36 0.22 -4.95 117.98 127.58 3dfy s PHE 20 Ca 0.57 -0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 55.95 3dfy s PHE 20 Cb -0.46 -2.32 -0.02 0.00 -0.34 0.00 0.00 43.02 39.88 3dfy s PHE 20 CO 0.55 -0.45 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.19 3dfy s HIS 21 N 1.60 2.90 0.16 10.12 5.65 -1.26 -1.81 115.29 132.65 3dfy s HIS 21 Ca 0.05 -0.50 0.01 0.00 0.25 0.00 0.00 55.06 54.86 3dfy s HIS 21 Cb -0.17 -1.89 -0.04 0.00 -1.18 0.00 0.00 32.58 29.30 3dfy s HIS 21 CO 0.05 -0.14 0.03 0.96 -0.65 0.00 0.00 174.74 174.99 3dfy s ILE 22 N 0.36 0.46 -0.41 0.89 -4.36 -0.86 -0.36 121.20 116.92 3dfy s ILE 22 Ca -0.08 -1.95 -0.32 0.00 -0.26 0.00 0.00 60.65 58.03 3dfy s ILE 22 Cb -0.15 -2.12 -0.11 0.00 1.25 0.00 0.00 42.46 41.33 3dfy s ILE 22 CO 0.05 -0.45 2.28 0.41 0.24 0.00 0.00 174.94 177.46 3dfy n THR 23 N -0.20 0.15 -0.80 8.37 -1.04 -1.26 -1.97 114.28 117.53 3dfy n THR 23 Ca -0.06 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 3dfy n THR 23 Cb 0.64 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 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 6.34 0.90 0.00 3.41 0.00 -1.26 -4.94 105.19 109.64 3dfy n GLY 24 Ca 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3dfy n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dfy n SER 25 N 1.07 0.00 -3.70 1.61 3.41 -0.83 -5.08 113.62 110.09 3dfy n SER 25 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 3dfy n SER 25 Cb 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 3dfy n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dfy s VAL 26 N -2.00 -0.20 0.08 -3.33 1.01 -1.26 -2.03 120.40 112.66 3dfy s VAL 26 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3dfy s VAL 26 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3dfy s VAL 26 CO 0.00 0.10 -0.17 -0.44 0.00 0.00 0.00 175.10 174.58 3dfy s SER 27 N 1.81 2.09 -0.01 3.32 0.01 -0.75 -4.94 113.70 115.23 3dfy s SER 27 Ca -0.04 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.61 3dfy s SER 27 Cb -0.11 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.02 3dfy s SER 27 CO -0.08 0.01 0.73 -1.54 0.41 0.00 0.00 173.24 172.77 3dfy n SER 28 N 1.31 0.24 -3.58 2.44 3.41 -1.26 0.70 113.62 116.88 3dfy n SER 28 Ca -0.20 -1.49 -0.16 0.00 -0.26 0.00 0.00 58.87 56.77 3dfy n SER 28 Cb 0.54 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.19 0.93 -0.19 4.33 2.12 -1.26 -2.60 118.70 121.84 3dfy s GLU 29 Ca 0.01 0.67 0.01 0.00 0.36 0.00 0.00 54.97 56.02 3dfy s GLU 29 Cb 0.01 0.45 0.03 0.00 0.26 0.00 0.00 34.13 34.88 3dfy s GLU 29 CO 0.00 -0.20 -0.17 0.45 -0.54 0.00 0.00 175.26 174.80 3dfy s SER 30 N -0.32 3.22 -0.42 -1.70 0.15 0.25 -4.94 113.70 109.95 3dfy s SER 30 Ca -0.05 -0.73 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 3dfy s SER 30 Cb -0.03 -1.41 0.09 0.00 -1.71 0.00 0.00 66.02 62.96 3dfy s SER 30 CO 0.05 -0.05 0.26 -0.13 1.20 0.00 0.00 173.24 174.57 3dfy s ARG 31 N 1.31 2.48 0.29 5.44 0.52 -1.26 -0.15 118.95 127.58 3dfy s ARG 31 Ca 0.03 -1.57 0.08 0.00 -0.52 0.00 0.00 55.73 53.75 3dfy s ARG 31 Cb -0.14 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 3dfy s ARG 31 CO -0.11 -1.01 0.16 -0.80 0.02 0.00 0.00 175.30 173.56 3dfy s ASN 32 N 2.15 5.12 -0.27 0.23 0.01 -0.54 -4.68 114.94 116.96 3dfy s ASN 32 Ca 0.04 -0.47 -0.04 0.00 -0.71 0.00 0.00 52.86 51.68 3dfy s ASN 32 Cb -0.24 -1.08 0.02 0.00 0.41 0.00 0.00 41.25 40.37 3dfy s ASN 32 CO 0.00 -0.14 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.76 3dfy s VAL 33 N -2.26 3.29 0.24 1.60 1.01 -0.07 -1.42 120.40 122.80 3dfy s VAL 33 Ca 0.35 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 3dfy s VAL 33 Cb -0.06 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 3dfy s VAL 33 CO 0.24 0.13 0.72 -0.70 0.00 0.00 0.00 175.10 175.49 3dfy s GLU 34 N 1.39 4.20 -0.17 2.72 2.12 0.53 -0.22 118.70 129.27 3dfy s GLU 34 Ca 0.01 0.83 0.01 0.00 0.36 0.00 0.00 54.97 56.18 3dfy s GLU 34 Cb -0.17 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.44 3dfy s GLU 34 CO -0.02 0.35 -0.20 0.08 -0.54 0.00 0.00 175.26 174.93 3dfy s VAL 35 N -1.61 2.05 -0.19 3.70 1.01 0.95 -1.60 120.40 124.71 3dfy s VAL 35 Ca 0.45 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3dfy s VAL 35 Cb -0.15 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3dfy s VAL 35 CO 0.20 0.54 -0.07 -0.70 0.00 0.00 0.00 175.10 175.07 3dfy s GLU 36 N 1.20 3.41 -0.17 2.72 2.12 -0.37 -1.06 118.70 126.54 3dfy s GLU 36 Ca 0.03 -0.63 -0.02 0.00 0.36 0.00 0.00 54.97 54.71 3dfy s GLU 36 Cb -0.14 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 3dfy s GLU 36 CO -0.11 -0.04 -0.09 0.42 -0.54 0.00 0.00 175.26 174.90 3dfy s ILE 37 N 1.04 3.16 -0.15 -3.70 1.01 0.55 -0.75 121.20 122.35 3dfy s ILE 37 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 3dfy s ILE 37 Cb -0.15 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3dfy s ILE 37 CO -0.01 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.65 3dfy s VAL 38 N 0.91 3.45 0.22 2.92 1.01 0.42 -0.21 120.40 129.14 3dfy s VAL 38 Ca -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3dfy s VAL 38 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3dfy s VAL 38 CO 0.00 0.50 0.40 -0.76 0.00 0.00 0.00 175.10 175.23 3dfy s LEU 39 N 0.51 4.22 0.56 3.92 1.02 0.15 0.08 118.68 129.14 3dfy s LEU 39 Ca -0.06 0.32 0.36 0.00 0.02 0.00 0.00 54.13 54.77 3dfy s LEU 39 Cb -0.15 -3.10 1.95 0.00 0.02 0.00 0.00 46.19 44.91 3dfy s LEU 39 CO 0.03 -0.08 2.10 1.05 0.02 0.00 0.00 176.35 179.47 3dfy h GLU 40 N 1.67 0.00 -0.00 1.70 4.11 -1.25 0.14 114.58 120.95 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 -0.09 -1.13 0.07 0.00 0.00 179.01 178.52 3dfy n SER 41 N -2.80 0.39 0.00 3.06 3.41 -1.26 -4.90 113.62 111.52 3dfy n SER 41 Ca -0.02 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 3dfy n SER 41 Cb 0.11 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.27 2.79 3.77 5.00 0.00 0.50 -5.04 105.19 113.49 3dfy n GLY 42 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.62 2.32 -0.08 1.61 1.01 -1.26 -4.75 120.40 116.63 3dfy s VAL 43 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.31 3dfy s VAL 43 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3dfy s VAL 43 CO 0.00 0.07 -0.14 -0.54 0.00 0.00 0.00 175.10 174.48 3dfy s LYS 44 N -2.08 2.03 0.05 2.72 1.02 -1.26 -0.68 119.74 121.54 3dfy s LYS 44 Ca 0.53 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 56.06 3dfy s LYS 44 Cb -0.43 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 3dfy s LYS 44 CO 0.57 0.01 -0.06 0.20 -0.92 0.00 0.00 175.35 175.15 3dfy s GLY 45 N 0.76 1.80 0.05 -3.33 0.00 0.71 -4.73 107.32 102.58 3dfy s GLY 45 Ca -0.12 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.57 3dfy s GLY 45 CO 0.02 -1.01 -0.19 -0.19 0.00 0.00 0.00 173.10 171.73 3dfy s TYR 46 N -1.11 1.64 0.11 1.90 2.02 -1.26 -0.33 117.35 120.31 3dfy s TYR 46 Ca 0.20 -0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 3dfy s TYR 46 Cb -0.11 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3dfy s TYR 46 CO 0.11 0.09 0.13 0.20 -1.57 0.00 0.00 175.55 174.51 3dfy s GLY 47 N -1.29 0.56 -0.03 0.71 0.00 -0.23 -3.93 107.32 103.11 3dfy s GLY 47 Ca 0.05 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.70 3dfy s GLY 47 CO 0.02 -1.10 -0.02 1.85 0.00 0.00 0.00 173.10 173.85 3dfy s GLU 48 N -3.96 0.50 -0.25 2.90 2.12 -1.26 -0.03 118.70 118.71 3dfy s GLU 48 Ca 0.15 -0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.38 3dfy s GLU 48 Cb 0.06 -0.60 -0.03 0.00 0.26 0.00 0.00 34.13 33.82 3dfy s GLU 48 CO -0.04 -0.09 0.09 0.00 -0.54 0.00 0.00 175.26 174.68 3dfy s ALA 49 N 0.86 3.22 -0.52 6.30 0.00 0.70 -4.43 121.76 127.89 3dfy s ALA 49 Ca -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 3dfy s ALA 49 Cb -0.13 -2.14 0.14 0.00 0.00 0.00 0.00 23.12 20.99 3dfy s ALA 49 CO -0.01 -0.48 0.30 0.45 0.00 0.00 0.00 175.76 176.03 3dfy s SER 50 N 1.60 5.00 0.72 0.00 0.15 -1.26 -0.89 113.70 119.02 3dfy s SER 50 Ca 0.06 -2.60 -0.13 0.00 0.70 0.00 0.00 55.95 53.98 3dfy s SER 50 Cb -0.15 -1.78 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 3dfy s SER 50 CO 0.05 -0.39 1.12 -2.16 1.20 0.00 0.00 173.24 173.06 3dfy s PRO 51 N 0.30 2.42 -0.10 5.44 0.04 -1.26 -4.58 135.00 137.26 3dfy s PRO 51 Ca 0.14 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 3dfy s PRO 51 Cb -0.22 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3dfy s PRO 51 CO -0.03 -1.55 0.03 0.45 0.04 0.00 0.00 177.00 175.93 3dfy s SER 52 N -2.72 1.80 -0.01 6.66 0.15 -1.26 -4.88 113.70 113.44 3dfy s SER 52 Ca 0.67 -0.23 -0.24 0.00 0.70 0.00 0.00 55.95 56.85 3dfy s SER 52 Cb -0.21 -0.39 -0.19 0.00 -1.71 0.00 0.00 66.02 63.52 3dfy s SER 52 CO 0.47 -0.24 1.27 0.15 1.20 0.00 0.00 173.24 176.10 3dfy h PHE 53 N 8.34 0.16 -0.34 3.44 3.57 -1.86 0.17 116.94 130.42 3dfy h PHE 53 Ca -0.17 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.31 3dfy h PHE 53 Cb 1.13 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 3dfy h PHE 53 CO 0.41 0.61 0.13 -0.09 -2.23 0.00 0.00 178.31 177.14 3dfy h ARG 54 N -0.34 0.27 0.04 1.11 2.43 -1.94 0.99 114.38 116.94 3dfy h ARG 54 Ca 0.01 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.89 3dfy h ARG 54 Cb 0.59 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3dfy h ARG 54 CO 0.01 0.18 -1.47 0.28 -1.51 0.00 0.00 179.97 177.46 3dfy h VAL 55 N 0.28 0.84 0.00 0.20 2.07 -1.98 -3.41 116.25 114.25 3dfy h VAL 55 Ca 0.15 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3dfy h VAL 55 Cb 0.12 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3dfy h VAL 55 CO -0.15 0.50 -1.10 0.59 0.02 0.00 0.00 177.57 177.43 3dfy n ASN 56 N -4.14 0.88 0.00 0.57 3.02 -0.06 -4.97 115.26 110.55 3dfy n ASN 56 Ca -0.32 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3dfy n ASN 56 Cb 0.80 1.12 0.00 0.00 -0.61 0.00 0.00 39.78 41.08 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 1.47 0.48 3.85 7.41 0.00 0.34 -4.94 105.19 113.79 3dfy n GLY 57 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.17 3.86 -0.06 1.61 2.02 -0.99 -4.85 118.70 120.13 3dfy s GLU 58 Ca 0.00 0.92 0.01 0.00 0.02 0.00 0.00 54.97 55.92 3dfy s GLU 58 Cb 0.00 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 32.13 3dfy s GLU 58 CO 0.00 -0.34 -0.07 1.03 0.02 0.00 0.00 175.26 175.90 3dfy s ARG 59 N -4.31 1.15 0.52 1.61 1.81 -1.26 -2.98 118.95 115.49 3dfy s ARG 59 Ca 0.58 -0.20 0.22 0.00 -1.72 0.00 0.00 55.73 54.61 3dfy s ARG 59 Cb -0.10 -1.10 1.32 0.00 -0.45 0.00 0.00 34.95 34.62 3dfy s ARG 59 CO 0.36 -0.09 2.03 -0.24 -0.68 0.00 0.00 175.30 176.68 3dfy h VAL 60 N 6.11 0.81 -0.02 3.52 3.04 -1.94 0.11 116.25 127.87 3dfy h VAL 60 Ca -0.33 -0.02 -0.12 0.00 -1.01 0.00 0.00 66.70 65.22 3dfy h VAL 60 Cb 1.16 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 3dfy h VAL 60 CO 0.45 0.01 -0.53 -0.33 -1.01 0.00 0.00 177.57 176.16 3dfy h GLU 61 N 0.05 0.06 -0.22 4.17 3.07 -1.98 -2.63 114.58 117.11 3dfy h GLU 61 Ca 0.20 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.90 3dfy h GLU 61 Cb 0.74 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3dfy h GLU 61 CO -0.01 0.57 -0.35 0.00 -1.40 0.00 0.00 179.01 177.82 3dfy h ALA 62 N 1.42 0.33 -0.50 3.43 0.00 -1.23 -2.56 119.26 120.17 3dfy h ALA 62 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.50 3dfy h ALA 62 Cb 0.95 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3dfy h ALA 62 CO 0.07 0.40 0.30 -0.07 0.00 0.00 0.00 179.25 179.95 3dfy h LEU 63 N 0.31 0.49 -1.40 0.00 4.07 -1.33 -2.41 115.31 115.05 3dfy h LEU 63 Ca 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3dfy h LEU 63 Cb 0.94 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 3dfy h LEU 63 CO 0.08 0.35 0.23 -0.07 -1.08 0.00 0.00 178.44 177.95 3dfy h LEU 64 N 0.60 0.57 -1.27 1.67 3.38 -1.43 -2.58 115.31 116.26 3dfy h LEU 64 Ca 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dfy h LEU 64 Cb 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dfy h LEU 64 CO -0.08 0.48 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3dfy h ALA 65 N 1.61 1.00 -0.57 1.53 0.00 -1.00 -3.14 119.26 118.70 3dfy h ALA 65 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 65 Cb 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.73 3dfy h ALA 65 CO -0.02 0.00 0.17 0.44 0.00 0.00 0.00 179.25 179.84 3dfy n ILE 66 N -2.58 2.73 -0.13 0.00 -5.35 -0.97 -4.61 119.36 108.45 3dfy n ILE 66 Ca 0.01 -2.00 -0.04 0.00 -0.27 0.00 0.00 62.75 60.44 3dfy n ILE 66 Cb 0.21 -0.34 0.04 0.00 -1.74 0.00 0.00 39.64 37.81 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 1.87 0.24 -0.29 6.28 4.81 -1.69 -1.88 114.58 123.92 3dfy h GLU 67 Ca 0.24 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 3dfy h GLU 67 Cb 2.04 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 31.29 3dfy h GLU 67 CO 0.58 0.16 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.93 3dfy h ASN 68 N 0.25 -0.60 -0.08 1.04 2.35 -1.89 0.21 115.58 116.85 3dfy h ASN 68 Ca 0.21 0.13 0.03 0.00 -0.55 0.00 0.00 56.30 56.12 3dfy h ASN 68 Cb 0.25 0.31 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3dfy h ASN 68 CO -0.26 -0.22 -0.10 0.00 -1.65 0.00 0.00 177.43 175.21 3dfy h ALA 69 N 1.03 -0.04 0.03 -0.83 0.00 -1.78 0.49 119.26 118.16 3dfy h ALA 69 Ca 0.16 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3dfy h ALA 69 Cb 0.39 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3dfy h ALA 69 CO -0.39 -0.56 -0.20 0.28 0.00 0.00 0.00 179.25 178.38 3dfy h VAL 70 N -0.13 0.53 -0.63 0.00 2.07 -0.75 0.69 116.25 118.03 3dfy h VAL 70 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.70 3dfy h VAL 70 Cb 0.22 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 3dfy h VAL 70 CO -0.16 0.00 0.20 -0.09 0.02 0.00 0.00 177.57 177.53 3dfy h ARG 71 N -0.34 0.34 -0.04 1.57 2.43 -0.27 -1.30 114.38 116.76 3dfy h ARG 71 Ca 0.05 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3dfy h ARG 71 Cb 0.40 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3dfy h ARG 71 CO -0.17 0.22 -0.38 1.49 -1.51 0.00 0.00 179.97 179.62 3dfy h GLU 72 N 0.35 0.09 -0.52 0.20 4.22 -0.25 -1.83 114.58 116.84 3dfy h GLU 72 Ca 0.33 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 59.63 3dfy h GLU 72 Cb 0.47 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3dfy h GLU 72 CO -0.37 0.46 -0.08 0.52 -2.18 0.00 0.00 179.01 177.37 3dfy h MET 73 N 0.08 0.94 -0.00 1.92 2.86 0.32 -3.37 114.93 117.67 3dfy h MET 73 Ca 0.01 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3dfy h MET 73 Cb 0.72 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3dfy h MET 73 CO 0.05 0.98 -0.04 0.44 1.06 0.00 0.00 176.91 179.40 3dfy n ILE 74 N -4.16 0.00 -1.97 -1.22 -5.35 -1.10 -5.01 119.36 100.55 3dfy n ILE 74 Ca 0.02 -0.48 -0.41 0.00 -0.27 0.00 0.00 62.75 61.61 3dfy n ILE 74 Cb 0.37 1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 39.28 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 -0.68 2.44 0.00 7.28 2.01 -0.69 -2.28 115.64 123.72 3dfy s THR 75 Ca 0.01 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.44 3dfy s THR 75 Cb 0.01 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3dfy s THR 75 CO 0.05 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 3dfy n GLY 76 N 1.05 1.26 3.79 4.40 0.00 0.62 -4.97 105.19 111.34 3dfy n GLY 76 Ca 0.02 0.00 -0.38 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 -2.64 4.97 0.03 -0.61 1.01 -0.97 -4.68 121.20 118.32 3dfy s ILE 77 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.39 3dfy s ILE 77 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3dfy s ILE 77 CO 0.00 0.48 0.98 -0.62 0.00 0.00 0.00 174.94 175.78 3dfy s ASP 78 N -0.52 7.41 0.65 3.58 -1.08 -1.26 -1.03 116.67 124.42 3dfy s ASP 78 Ca 0.27 1.71 0.42 0.00 -0.52 0.00 0.00 52.55 54.42 3dfy s ASP 78 Cb -0.17 -2.58 2.29 0.00 -1.46 0.00 0.00 42.92 41.00 3dfy s ASP 78 CO 0.15 -0.20 2.34 -0.37 0.52 0.00 0.00 175.17 177.60 3dfy h VAL 79 N 4.56 0.08 0.00 1.11 -1.51 -1.94 0.01 116.25 118.57 3dfy h VAL 79 Ca -0.42 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3dfy h VAL 79 Cb 1.22 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 3dfy h VAL 79 CO 0.74 0.00 0.00 0.08 -1.23 0.00 0.00 177.57 177.16 3dfy h ARG 80 N 0.00 0.00 -1.34 5.19 0.11 -1.95 -0.92 114.38 115.47 3dfy h ARG 80 Ca -0.00 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.40 3dfy h ARG 80 Cb 0.03 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 30.80 3dfy h ARG 80 CO 0.00 0.00 0.58 0.09 0.10 0.00 0.00 179.97 180.74 3dfy n ASN 81 N -2.42 7.04 0.22 0.08 3.02 -0.01 -4.77 115.26 118.41 3dfy n ASN 81 Ca 0.01 -3.79 0.17 0.00 -0.03 0.00 0.00 54.58 50.94 3dfy n ASN 81 Cb 0.21 -0.88 0.84 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 2.40 0.00 -0.04 3.10 -0.00 -1.31 -1.08 116.97 120.04 3dfy h TYR 82 Ca 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.23 3dfy h TYR 82 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.38 3dfy h TYR 82 CO 1.23 0.00 -0.14 0.00 -0.00 0.00 0.00 178.16 179.24 3dfy h ALA 83 N 1.79 1.69 -0.22 0.10 0.00 -1.87 0.30 119.26 121.05 3dfy h ALA 83 Ca 0.08 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3dfy h ALA 83 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3dfy h ALA 83 CO -0.00 0.23 -0.63 0.00 0.00 0.00 0.00 179.25 178.85 3dfy h ARG 84 N 0.06 0.78 -0.57 0.00 3.08 -1.59 -1.02 114.38 115.12 3dfy h ARG 84 Ca 0.01 -0.54 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 3dfy h ARG 84 Cb 0.29 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3dfy h ARG 84 CO 0.02 1.17 0.04 0.82 -1.07 0.00 0.00 179.97 180.95 3dfy h ILE 85 N 0.58 1.25 -0.13 2.04 2.04 -1.37 -1.35 117.51 120.57 3dfy h ILE 85 Ca -0.01 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3dfy h ILE 85 Cb 1.23 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3dfy h ILE 85 CO 0.13 0.38 0.04 -0.26 0.00 0.00 0.00 178.15 178.44 3dfy h PHE 86 N 0.89 0.21 -0.72 1.37 -1.00 -0.82 -0.74 116.94 116.13 3dfy h PHE 86 Ca 0.17 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.96 3dfy h PHE 86 Cb 0.46 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 3dfy h PHE 86 CO 0.03 0.34 0.45 1.49 -1.61 0.00 0.00 178.31 179.01 3dfy h GLU 87 N 0.02 0.84 -0.02 1.51 4.81 -0.92 -1.54 114.58 119.29 3dfy h GLU 87 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3dfy h GLU 87 Cb 0.23 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3dfy h GLU 87 CO -0.00 0.56 0.00 0.82 -0.73 0.00 0.00 179.01 179.66 3dfy h ILE 88 N 0.87 1.24 0.00 2.32 2.04 -1.14 -2.96 117.51 119.88 3dfy h ILE 88 Ca 0.29 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3dfy h ILE 88 Cb 0.03 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3dfy h ILE 88 CO -0.12 0.19 0.00 0.71 0.00 0.00 0.00 178.15 178.94 3dfy h THR 89 N -0.26 0.00 0.00 -0.27 1.35 -0.93 -1.36 112.91 111.44 3dfy h THR 89 Ca 0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3dfy h THR 89 Cb 0.31 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3dfy h THR 89 CO 0.00 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.71 3dfy h ASP 90 N 0.00 0.00 0.99 5.36 3.32 -1.10 -0.17 116.42 124.81 3dfy h ASP 90 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dfy h ASP 90 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3dfy h ASP 90 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3dfy n ARG 91 N -2.37 0.20 -0.70 3.56 1.74 -0.51 -3.06 116.66 115.52 3dfy n ARG 91 Ca -0.00 0.32 -0.12 0.00 -0.77 0.00 0.00 57.85 57.28 3dfy n ARG 91 Cb 0.12 -1.81 0.05 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.17 5.61 0.19 0.55 4.77 -0.08 -4.48 117.00 121.39 3dfy n LEU 92 Ca 0.04 -2.85 0.13 0.00 -0.03 0.00 0.00 56.01 53.31 3dfy n LEU 92 Cb 0.30 -0.91 0.70 0.00 -2.33 0.00 0.00 43.42 41.18 3dfy n LEU 92 CO 0.23 1.01 0.90 2.19 -1.33 0.00 0.00 177.39 180.40 3dfy h PHE 93 N 1.02 0.00 -0.00 -1.77 -5.15 -1.76 0.59 116.94 109.87 3dfy h PHE 93 Ca 0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.02 3dfy h PHE 93 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3dfy h PHE 93 CO 0.68 0.00 -0.42 0.41 -2.00 0.00 0.00 178.31 176.98 3dfy n GLY 94 N -1.09 -1.25 2.55 6.09 0.00 -1.26 -4.04 105.19 106.19 3dfy n GLY 94 Ca -0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.45 2.08 -0.27 1.61 3.72 0.20 -4.72 117.46 118.63 3dfy n PHE 95 Ca 0.06 -3.52 0.08 0.00 -0.05 0.00 0.00 57.45 54.02 3dfy n PHE 95 Cb 0.34 -0.37 0.23 0.00 -0.94 0.00 0.00 39.48 38.73 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 2.92 0.38 -0.77 -1.08 0.13 -1.65 -0.06 132.00 131.86 3dfy h PRO 96 Ca 0.10 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 3dfy h PRO 96 Cb 0.87 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 3dfy h PRO 96 CO 0.65 0.25 0.38 0.66 -0.23 0.00 0.00 178.00 179.72 3dfy h SER 97 N 0.40 0.99 -0.01 1.44 4.64 -1.83 0.25 113.55 119.42 3dfy h SER 97 Ca 0.47 -0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 3dfy h SER 97 Cb 0.79 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3dfy h SER 97 CO -0.47 0.83 -0.57 0.25 -0.87 0.00 0.00 176.83 175.99 3dfy h LEU 98 N 1.09 0.67 -0.59 5.97 5.85 -1.64 -1.74 115.31 124.93 3dfy h LEU 98 Ca 0.27 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3dfy h LEU 98 Cb 0.09 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3dfy h LEU 98 CO -0.04 1.10 0.32 0.50 -0.34 0.00 0.00 178.44 179.98 3dfy h LYS 99 N 0.46 0.59 -0.36 1.25 3.64 -0.25 -0.87 116.57 121.04 3dfy h LYS 99 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3dfy h LYS 99 Cb 1.13 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3dfy h LYS 99 CO 0.11 0.39 0.09 0.00 -2.27 0.00 0.00 179.45 177.77 3dfy h ALA 100 N 1.30 0.47 -0.68 5.00 0.00 -0.72 -1.72 119.26 122.91 3dfy h ALA 100 Ca 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dfy h ALA 100 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dfy h ALA 100 CO -0.16 0.13 0.30 0.00 0.00 0.00 0.00 179.25 179.53 3dfy h ALA 101 N 0.93 0.88 -0.29 0.00 0.00 -0.90 -0.50 119.26 119.39 3dfy h ALA 101 Ca 0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3dfy h ALA 101 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dfy h ALA 101 CO 0.00 0.47 -0.12 0.28 0.00 0.00 0.00 179.25 179.89 3dfy h VAL 102 N 0.96 1.29 -0.69 0.00 2.07 -1.13 -1.11 116.25 117.64 3dfy h VAL 102 Ca 0.23 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 3dfy h VAL 102 Cb 0.16 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3dfy h VAL 102 CO -0.02 0.38 0.14 1.56 0.02 0.00 0.00 177.57 179.64 3dfy h GLN 103 N 0.33 1.12 -0.22 1.57 4.20 -1.12 -1.48 115.11 119.50 3dfy h GLN 103 Ca 0.07 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 3dfy h GLN 103 Cb 0.62 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3dfy h GLN 103 CO 0.04 1.01 -0.18 0.35 -0.67 0.00 0.00 178.83 179.37 3dfy h PHE 104 N 1.05 0.61 -0.71 2.96 3.57 -1.08 -2.57 116.94 120.78 3dfy h PHE 104 Ca 0.21 -0.17 0.12 0.00 3.53 0.00 0.00 57.97 61.66 3dfy h PHE 104 Cb 0.41 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 3dfy h PHE 104 CO 0.03 0.84 0.47 0.00 -2.23 0.00 0.00 178.31 177.42 3dfy h ALA 105 N 0.67 2.01 -0.42 2.41 0.00 -1.03 0.36 119.26 123.27 3dfy h ALA 105 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3dfy h ALA 105 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dfy h ALA 105 CO 0.05 -0.19 0.07 1.15 0.00 0.00 0.00 179.25 180.33 3dfy h THR 106 N 0.47 1.24 0.00 0.00 2.02 -1.01 -0.95 112.91 114.69 3dfy h THR 106 Ca 0.34 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 66.52 3dfy h THR 106 Cb 0.67 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3dfy h THR 106 CO -0.11 0.30 -0.62 -0.07 0.37 0.00 0.00 175.52 175.39 3dfy h LEU 107 N 0.55 0.00 -0.46 2.58 3.38 -0.55 -1.31 115.31 119.50 3dfy h LEU 107 Ca 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3dfy h LEU 107 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3dfy h LEU 107 CO 0.01 0.62 -0.03 -0.78 0.09 0.00 0.00 178.44 178.34 3dfy h ASP 108 N 0.00 0.83 -0.24 -0.43 3.58 -0.15 0.16 116.42 120.17 3dfy h ASP 108 Ca -0.01 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.04 3dfy h ASP 108 Cb 1.09 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 3dfy h ASP 108 CO 0.08 0.95 -0.18 0.00 -2.88 0.00 0.00 179.24 177.21 3dfy h ALA 109 N 0.90 0.34 -0.56 -0.78 0.00 -1.06 -2.95 119.26 115.14 3dfy h ALA 109 Ca 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3dfy h ALA 109 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dfy h ALA 109 CO 0.03 0.26 0.19 1.25 0.00 0.00 0.00 179.25 180.98 3dfy h LEU 110 N 0.24 0.81 -2.06 0.00 5.85 -1.14 -2.18 115.31 116.83 3dfy h LEU 110 Ca 0.04 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3dfy h LEU 110 Cb 0.71 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3dfy h LEU 110 CO 0.05 0.79 -0.05 0.77 -0.34 0.00 0.00 178.44 179.65 3dfy h SER 111 N 0.78 0.00 -0.07 1.25 4.64 -0.69 -1.29 113.55 118.18 3dfy h SER 111 Ca 0.18 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3dfy h SER 111 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3dfy h SER 111 CO -0.01 0.05 -0.30 1.56 -0.87 0.00 0.00 176.83 177.27 3dfy h GLN 112 N 0.00 0.32 0.00 4.77 4.20 -1.23 0.13 115.11 123.30 3dfy h GLN 112 Ca -0.00 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 3dfy h GLN 112 Cb 0.11 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3dfy h GLN 112 CO 0.01 0.89 -0.01 0.93 -0.67 0.00 0.00 178.83 179.98 3dfy h GLU 113 N -0.18 0.00 -0.02 1.46 5.08 -0.93 -1.03 114.58 118.96 3dfy h GLU 113 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dfy h GLU 113 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dfy h GLU 113 CO 0.06 0.01 -0.10 1.28 -1.00 0.00 0.00 179.01 179.26 3dfy n LEU 114 N -3.13 2.03 -1.91 1.33 4.77 -0.54 -4.96 117.00 114.59 3dfy n LEU 114 Ca -0.01 -0.68 -0.14 0.00 -0.03 0.00 0.00 56.01 55.15 3dfy n LEU 114 Cb 0.22 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3dfy n LEU 114 CO 0.25 0.35 -0.04 0.61 -1.33 0.00 0.00 177.39 177.22 3dfy n GLY 115 N 1.29 -0.12 1.24 -0.72 0.00 -0.39 -5.00 105.19 101.49 3dfy n GLY 115 Ca 0.15 -0.22 -0.06 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 -4.05 0.00 -4.17 2.61 5.66 0.41 -5.03 114.28 109.70 3dfy n THR 116 Ca -0.10 -0.77 -0.25 0.00 -3.05 0.00 0.00 64.05 59.89 3dfy n THR 116 Cb 0.59 0.43 -0.06 0.00 -1.55 0.00 0.00 70.33 69.74 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 -2.38 2.62 0.21 1.09 -0.21 -1.26 -3.99 119.66 115.73 3dfy s GLN 117 Ca 0.13 -1.11 -0.10 0.00 0.02 0.00 0.00 55.36 54.30 3dfy s GLN 117 Cb 0.00 -2.43 0.24 0.00 1.00 0.00 0.00 33.01 31.82 3dfy s GLN 117 CO 0.09 0.43 1.79 0.28 -2.12 0.00 0.00 175.29 175.76 3dfy h VAL 118 N 2.01 0.92 -0.84 1.09 2.07 -1.91 -1.85 116.25 117.74 3dfy h VAL 118 Ca -0.47 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 66.93 3dfy h VAL 118 Cb 1.22 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3dfy h VAL 118 CO 0.60 0.11 0.55 0.00 0.02 0.00 0.00 177.57 178.85 3dfy h TYR 120 N 0.83 0.52 -0.59 0.00 0.05 -1.71 0.19 116.97 116.26 3dfy h TYR 120 Ca 0.39 -0.20 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 3dfy h TYR 120 Cb 0.40 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3dfy h TYR 120 CO -0.00 0.92 0.23 1.25 -1.05 0.00 0.00 178.16 179.50 3dfy h LEU 121 N 0.30 0.79 -0.53 3.88 5.85 -0.29 -2.06 115.31 123.25 3dfy h LEU 121 Ca -0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3dfy h LEU 121 Cb 1.15 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3dfy h LEU 121 CO 0.11 0.71 -0.01 0.18 -0.34 0.00 0.00 178.44 179.09 3dfy n LEU 122 N -4.32 0.84 0.00 2.25 4.77 -0.20 -4.90 117.00 115.44 3dfy n LEU 122 Ca 0.05 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3dfy n LEU 122 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3dfy n LEU 122 CO 0.39 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3dfy n GLY 123 N 1.12 1.28 3.93 -0.72 0.00 -0.77 -4.15 105.19 105.86 3dfy n GLY 123 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.47 0.31 -0.02 0.00 0.62 -4.87 105.19 100.76 3dfy n GLY 124 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.50 1.08 -5.45 1.61 1.63 -1.19 -3.45 116.57 109.30 3dfy h LYS 125 Ca -0.54 -0.31 -0.42 0.00 -0.85 0.00 0.00 60.65 58.52 3dfy h LYS 125 Cb 1.36 -0.11 -0.17 0.00 -0.60 0.00 0.00 32.23 32.70 3dfy h LYS 125 CO 0.69 1.02 -0.75 1.03 -3.45 0.00 0.00 179.45 177.99 3dfy s ARG 126 N -5.11 1.09 -0.03 1.90 0.52 -0.49 -4.95 118.95 111.88 3dfy s ARG 126 Ca -0.12 -1.32 0.19 0.00 -0.52 0.00 0.00 55.73 53.96 3dfy s ARG 126 Cb 0.14 -0.94 -0.30 0.00 0.52 0.00 0.00 34.95 34.37 3dfy s ARG 126 CO 0.85 0.17 0.42 -0.25 0.02 0.00 0.00 175.30 176.52 3dfy n ASP 127 N 0.31 0.61 -3.86 0.23 8.00 -1.26 -4.65 116.55 115.93 3dfy n ASP 127 Ca -0.14 -0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.24 3dfy n ASP 127 Cb 0.58 1.87 -0.11 0.00 -0.02 0.00 0.00 41.12 43.44 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 0.34 0.08 -1.24 2.12 -1.26 -2.78 118.70 112.63 3dfy s GLU 128 Ca -0.07 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.13 3dfy s GLU 128 Cb 0.12 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 3dfy s GLU 128 CO 0.80 -0.07 -0.07 0.96 -0.54 0.00 0.00 175.26 176.34 3dfy s ILE 129 N -0.75 0.64 -0.06 -3.70 -4.36 -0.60 -4.99 121.20 107.37 3dfy s ILE 129 Ca -0.08 -1.72 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 3dfy s ILE 129 Cb -0.05 -1.42 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 3dfy s ILE 129 CO 0.01 -0.76 -0.22 -0.70 0.24 0.00 0.00 174.94 173.51 3dfy s GLU 130 N -3.29 2.41 0.17 0.37 2.12 -1.26 -0.87 118.70 118.34 3dfy s GLU 130 Ca 0.06 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.66 3dfy s GLU 130 Cb 0.02 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 3dfy s GLU 130 CO -0.04 0.29 0.07 -0.08 -0.54 0.00 0.00 175.26 174.96 3dfy s THR 131 N 0.03 4.09 0.43 -1.70 -1.32 0.52 -3.77 115.64 113.91 3dfy s THR 131 Ca -0.07 -1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 59.12 3dfy s THR 131 Cb -0.14 -3.08 0.09 0.00 -1.51 0.00 0.00 72.50 67.86 3dfy s THR 131 CO 0.04 -0.12 0.58 -0.90 -2.21 0.00 0.00 174.62 172.02 3dfy n ASP 132 N -0.27 0.68 -3.94 8.08 5.68 -0.34 -4.74 116.55 121.71 3dfy n ASP 132 Ca -0.09 -1.60 -0.10 0.00 -0.50 0.00 0.00 54.79 52.50 3dfy n ASP 132 Cb 0.55 -0.39 -0.12 0.00 -1.14 0.00 0.00 41.12 40.02 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 -4.00 0.21 -0.09 0.11 2.20 -1.13 -4.48 119.74 112.55 3dfy s LYS 133 Ca 0.38 -0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.51 3dfy s LYS 133 Cb -0.02 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 3dfy s LYS 133 CO 0.25 -0.03 0.21 0.99 -0.36 0.00 0.00 175.35 176.42 3dfy s THR 134 N -0.92 5.38 -0.49 3.43 2.01 -1.26 -1.84 115.64 121.94 3dfy s THR 134 Ca -0.10 0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 3dfy s THR 134 Cb -0.06 -3.49 0.12 0.00 0.01 0.00 0.00 72.50 69.07 3dfy s THR 134 CO -0.01 0.59 0.40 -0.69 -0.69 0.00 0.00 174.62 174.23 3dfy s VAL 135 N -0.93 4.67 1.24 3.82 1.01 0.51 -4.96 120.40 125.76 3dfy s VAL 135 Ca 0.17 -1.58 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 3dfy s VAL 135 Cb -0.13 -3.99 0.30 0.00 0.00 0.00 0.00 36.38 32.56 3dfy s VAL 135 CO 0.06 -0.77 1.04 -0.83 0.00 0.00 0.00 175.10 174.60 3dfy s GLY 136 N 2.95 1.52 0.10 4.51 0.00 -1.26 -2.34 107.32 112.80 3dfy s GLY 136 Ca 0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 3dfy s GLY 136 CO 0.02 0.16 1.06 -0.42 0.00 0.00 0.00 173.10 173.92 3dfy s ILE 137 N -2.68 4.24 0.00 0.90 1.01 0.51 -4.73 121.20 120.45 3dfy s ILE 137 Ca 0.69 1.78 0.00 0.00 0.00 0.00 0.00 60.65 63.12 3dfy s ILE 137 Cb -0.14 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.19 3dfy s ILE 137 CO 0.58 0.23 0.00 -0.67 0.00 0.00 0.00 174.94 175.08 3dfy n ASP 138 N 3.08 0.00 -4.79 3.58 -0.08 -1.26 -4.48 116.55 112.60 3dfy n ASP 138 Ca 0.04 -0.47 -0.36 0.00 -1.51 0.00 0.00 54.79 52.50 3dfy n ASP 138 Cb 0.48 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.90 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 3.68 0.35 5.18 -4.23 -1.26 -4.77 115.64 111.91 3dfy s THR 139 Ca 0.00 1.19 0.14 0.00 -1.18 0.00 0.00 61.69 61.84 3dfy s THR 139 Cb 0.00 -3.56 0.34 0.00 1.34 0.00 0.00 72.50 70.62 3dfy s THR 139 CO 0.00 -0.09 1.72 0.58 -0.54 0.00 0.00 174.62 176.29 3dfy h VAL 140 N 1.90 0.48 0.13 2.29 2.07 -1.99 0.26 116.25 121.39 3dfy h VAL 140 Ca -0.49 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3dfy h VAL 140 Cb 1.22 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3dfy h VAL 140 CO 0.61 0.09 -0.22 -0.33 0.02 0.00 0.00 177.57 177.73 3dfy h GLU 141 N 0.47 -0.40 -0.15 1.57 4.39 -2.00 -1.57 114.58 116.87 3dfy h GLU 141 Ca 0.65 0.03 -0.14 0.00 0.34 0.00 0.00 59.36 60.24 3dfy h GLU 141 Cb 1.44 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.17 3dfy h GLU 141 CO -0.44 -0.27 -0.51 -0.91 -1.16 0.00 0.00 179.01 175.71 3dfy h ASN 142 N -0.42 0.45 -0.33 1.42 2.35 -1.25 -2.79 115.58 115.01 3dfy h ASN 142 Ca 0.02 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 3dfy h ASN 142 Cb 0.43 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3dfy h ASN 142 CO -0.11 0.88 0.08 0.03 -1.65 0.00 0.00 177.43 176.66 3dfy h ARG 143 N 0.32 0.19 -0.27 0.81 3.08 -0.32 -1.07 114.38 117.13 3dfy h ARG 143 Ca 0.01 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3dfy h ARG 143 Cb 1.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3dfy h ARG 143 CO 0.09 0.13 -0.11 0.28 -1.07 0.00 0.00 179.97 179.29 3dfy h VAL 144 N 0.20 1.21 0.49 2.04 2.07 -1.27 -1.84 116.25 119.15 3dfy h VAL 144 Ca 0.15 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3dfy h VAL 144 Cb 0.16 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3dfy h VAL 144 CO -0.19 0.30 -0.25 0.50 0.02 0.00 0.00 177.57 177.95 3dfy h LYS 145 N 0.41 -0.65 -0.16 1.57 1.63 -0.96 -1.33 116.57 117.08 3dfy h LYS 145 Ca 0.08 0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 3dfy h LYS 145 Cb 0.44 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3dfy h LYS 145 CO 0.02 -0.44 -0.26 1.05 -3.45 0.00 0.00 179.45 176.38 3dfy h GLU 146 N -0.68 0.29 0.05 1.90 4.11 -1.18 -2.19 114.58 116.88 3dfy h GLU 146 Ca -0.06 -0.10 0.01 0.00 0.07 0.00 0.00 59.36 59.27 3dfy h GLU 146 Cb 0.53 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3dfy h GLU 146 CO 0.10 0.54 -0.10 0.00 0.07 0.00 0.00 179.01 179.62 3dfy h ALA 147 N 1.47 -0.15 -0.77 1.06 0.00 -1.10 0.14 119.26 119.91 3dfy h ALA 147 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dfy h ALA 147 Cb 0.60 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3dfy h ALA 147 CO 0.04 -0.61 0.50 0.87 0.00 0.00 0.00 179.25 180.06 3dfy h LYS 148 N -0.19 0.98 -0.41 0.00 1.57 -1.03 0.97 116.57 118.46 3dfy h LYS 148 Ca 0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3dfy h LYS 148 Cb 0.21 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dfy h LYS 148 CO -0.06 0.65 0.24 -0.22 -0.57 0.00 0.00 179.45 179.49 3dfy h LYS 149 N 1.01 0.57 -0.52 3.15 3.64 -0.92 0.32 116.57 123.82 3dfy h LYS 149 Ca 0.29 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3dfy h LYS 149 Cb -0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3dfy h LYS 149 CO -0.08 0.44 0.21 0.82 -2.27 0.00 0.00 179.45 178.57 3dfy h ILE 150 N 0.54 1.22 -0.19 2.00 2.04 -0.19 -0.20 117.51 122.73 3dfy h ILE 150 Ca 0.15 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3dfy h ILE 150 Cb 0.03 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3dfy h ILE 150 CO -0.03 0.26 0.07 0.15 0.00 0.00 0.00 178.15 178.60 3dfy h PHE 151 N 0.70 0.29 -0.23 1.37 3.57 -0.51 -2.18 116.94 119.96 3dfy h PHE 151 Ca 0.17 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.72 3dfy h PHE 151 Cb 0.20 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3dfy h PHE 151 CO 0.01 0.35 0.18 1.49 -2.23 0.00 0.00 178.31 178.10 3dfy h GLU 152 N 0.14 0.00 0.00 1.11 4.81 -0.07 0.11 114.58 120.68 3dfy h GLU 152 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3dfy h GLU 152 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 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 -4.26 0.11 0.00 1.92 1.02 -0.11 -4.89 120.64 114.42 3dfy n GLU 153 Ca 0.02 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3dfy n GLU 153 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.00 0.90 3.72 0.62 0.00 0.39 -4.82 105.19 107.00 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 -2.04 3.11 -0.99 1.61 0.08 -1.07 -4.86 117.98 113.82 3dfy s PHE 155 Ca 0.00 0.72 0.09 0.00 0.12 0.00 0.00 56.93 57.86 3dfy s PHE 155 Cb 0.00 -3.86 0.15 0.00 -0.57 0.00 0.00 43.02 38.74 3dfy s PHE 155 CO 0.00 -3.13 0.96 0.54 -0.10 0.00 0.00 175.22 173.50 3dfy n ARG 156 N 3.91 1.36 -3.88 0.44 5.12 -1.26 -4.44 116.66 117.90 3dfy n ARG 156 Ca 0.13 -1.42 -0.27 0.00 -1.93 0.00 0.00 57.85 54.36 3dfy n ARG 156 Cb 0.40 -1.19 -0.17 0.00 -1.16 0.00 0.00 32.46 30.33 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 -0.86 0.97 -0.15 1.55 1.01 -1.26 -0.16 120.40 121.51 3dfy s VAL 157 Ca 0.14 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3dfy s VAL 157 Cb 0.09 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3dfy s VAL 157 CO 0.12 0.27 -0.21 -0.63 0.00 0.00 0.00 175.10 174.65 3dfy s ILE 158 N 1.72 2.16 -0.13 2.22 1.01 0.14 -2.85 121.20 125.47 3dfy s ILE 158 Ca 0.04 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 3dfy s ILE 158 Cb -0.13 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 3dfy s ILE 158 CO -0.08 0.54 0.37 -0.75 0.00 0.00 0.00 174.94 175.02 3dfy s LYS 159 N 0.85 4.24 -0.15 2.79 2.20 -0.77 -1.23 119.74 127.67 3dfy s LYS 159 Ca -0.06 0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 3dfy s LYS 159 Cb -0.15 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 3dfy s LYS 159 CO -0.02 0.26 -0.18 0.42 -0.36 0.00 0.00 175.35 175.46 3dfy s ILE 160 N 0.36 2.37 0.13 5.43 1.01 0.14 -0.36 121.20 130.29 3dfy s ILE 160 Ca 0.21 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.75 3dfy s ILE 160 Cb -0.14 -1.98 -0.07 0.00 0.01 0.00 0.00 42.46 40.28 3dfy s ILE 160 CO 0.07 0.53 0.72 -0.54 0.00 0.00 0.00 174.94 175.72 3dfy s LYS 161 N 0.86 4.47 0.00 2.79 -0.14 -0.99 -1.27 119.74 125.47 3dfy s LYS 161 Ca -0.05 1.05 0.00 0.00 -1.36 0.00 0.00 55.97 55.60 3dfy s LYS 161 Cb -0.15 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 3dfy s LYS 161 CO -0.02 0.56 0.00 1.33 -0.76 0.00 0.00 175.35 176.46 3dfy n VAL 162 N 1.74 0.00 0.00 3.17 0.24 -0.39 -4.57 118.33 118.52 3dfy n VAL 162 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3dfy n VAL 162 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.52 0.01 7.63 0.00 -1.26 -4.24 105.19 108.85 3dfy n GLY 163 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.32 0.62 -3.24 1.61 1.02 -1.26 -4.37 120.64 114.70 3dfy n GLU 164 Ca 0.00 -0.17 -0.04 0.00 -0.02 0.00 0.00 57.16 56.93 3dfy n GLU 164 Cb 0.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 29.86 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 -4.47 -0.67 0.22 1.62 3.84 -1.26 -5.05 114.94 109.17 3dfy s ASN 165 Ca -0.07 -0.66 -0.18 0.00 0.21 0.00 0.00 52.86 52.16 3dfy s ASN 165 Cb 0.14 1.55 0.21 0.00 -0.55 0.00 0.00 41.25 42.60 3dfy s ASN 165 CO 0.90 -0.25 1.57 0.25 -2.79 0.00 0.00 177.10 176.78 3dfy h LEU 166 N 7.44 -1.29 0.13 3.21 5.85 -1.98 0.32 115.31 128.99 3dfy h LEU 166 Ca 0.01 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3dfy h LEU 166 Cb 1.15 0.68 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 3dfy h LEU 166 CO 0.16 -0.29 -0.14 0.11 -0.34 0.00 0.00 178.44 177.94 3dfy h LYS 167 N -0.06 -0.29 -0.04 1.25 1.57 -2.00 -1.58 116.57 115.42 3dfy h LYS 167 Ca 0.31 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 3dfy h LYS 167 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3dfy h LYS 167 CO -0.87 -0.19 -0.30 0.93 -0.57 0.00 0.00 179.45 178.44 3dfy h GLU 168 N -0.30 0.07 -0.16 3.15 5.08 -1.75 -2.22 114.58 118.45 3dfy h GLU 168 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3dfy h GLU 168 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3dfy h GLU 168 CO -0.04 0.37 0.02 -0.44 -1.00 0.00 0.00 179.01 177.91 3dfy h ASP 169 N 0.06 0.26 -0.61 1.42 3.32 -0.10 0.47 116.42 121.24 3dfy h ASP 169 Ca 0.01 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 56.81 3dfy h ASP 169 Cb 0.56 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3dfy h ASP 169 CO 0.04 0.47 0.37 0.40 -1.72 0.00 0.00 179.24 178.80 3dfy h ILE 170 N 0.03 1.07 -0.16 0.35 2.04 -1.15 -0.36 117.51 119.33 3dfy h ILE 170 Ca 0.05 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3dfy h ILE 170 Cb 0.33 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3dfy h ILE 170 CO 0.00 0.13 0.10 -0.08 0.00 0.00 0.00 178.15 178.30 3dfy h GLU 171 N 0.73 0.22 -0.62 2.37 4.81 -1.16 -1.80 114.58 119.13 3dfy h GLU 171 Ca 0.24 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3dfy h GLU 171 Cb 0.03 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3dfy h GLU 171 CO -0.10 0.20 0.36 0.00 -0.73 0.00 0.00 179.01 178.74 3dfy h ALA 172 N 1.01 0.81 -0.57 2.92 0.00 0.47 -1.50 119.26 122.40 3dfy h ALA 172 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dfy h ALA 172 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3dfy h ALA 172 CO -0.01 0.06 0.31 0.28 0.00 0.00 0.00 179.25 179.90 3dfy h VAL 173 N 0.69 1.19 0.00 0.00 2.07 -0.82 -0.80 116.25 118.58 3dfy h VAL 173 Ca 0.26 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3dfy h VAL 173 Cb 0.10 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3dfy h VAL 173 CO -0.14 0.20 -0.00 -0.08 0.02 0.00 0.00 177.57 177.57 3dfy h GLU 174 N 0.78 -0.00 -0.87 1.57 4.81 -0.88 -1.04 114.58 118.93 3dfy h GLU 174 Ca 0.20 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3dfy h GLU 174 Cb 0.05 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3dfy h GLU 174 CO -0.03 0.16 0.57 0.93 -0.73 0.00 0.00 179.01 179.91 3dfy h GLU 175 N -0.17 1.01 -0.37 1.92 4.39 -1.17 -1.21 114.58 118.99 3dfy h GLU 175 Ca -0.00 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 3dfy h GLU 175 Cb 0.16 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3dfy h GLU 175 CO 0.00 0.67 -0.16 0.82 -1.16 0.00 0.00 179.01 179.18 3dfy h ILE 176 N 1.04 1.28 -0.77 3.13 2.04 -0.96 -3.11 117.51 120.16 3dfy h ILE 176 Ca 0.36 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 3dfy h ILE 176 Cb 0.10 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3dfy h ILE 176 CO -0.12 0.42 0.48 0.00 0.00 0.00 0.00 178.15 178.93 3dfy h ALA 177 N 0.80 0.99 -0.71 1.87 0.00 -0.52 -2.63 119.26 119.07 3dfy h ALA 177 Ca 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 177 Cb 0.71 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3dfy h ALA 177 CO 0.05 0.44 0.47 0.87 0.00 0.00 0.00 179.25 181.08 3dfy h LYS 178 N 1.06 0.70 -0.69 0.00 1.57 -1.18 -2.47 116.57 115.55 3dfy h LYS 178 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3dfy h LYS 178 Cb -0.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.10 3dfy h LYS 178 CO -0.05 0.46 0.00 1.33 -0.57 0.00 0.00 179.45 180.62 3dfy n VAL 179 N -4.48 1.33 -2.53 0.50 0.24 -1.02 -4.39 118.33 107.99 3dfy n VAL 179 Ca 0.11 -1.08 0.03 0.00 -2.04 0.00 0.00 64.34 61.36 3dfy n VAL 179 Cb 0.24 0.35 0.03 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.42 0.26 -1.60 3.34 -2.24 -0.94 -4.76 114.28 109.76 3dfy n THR 180 Ca 0.25 -1.37 -0.49 0.00 -2.27 0.00 0.00 64.05 60.17 3dfy n THR 180 Cb 0.73 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.28 1.34 0.00 -0.78 1.74 -1.14 -1.53 116.66 116.57 3dfy n ARG 181 Ca 0.07 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3dfy n ARG 181 Cb 1.08 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 2.34 1.98 3.93 -0.13 0.00 -1.26 -5.08 105.19 106.97 3dfy n GLY 182 Ca 0.16 0.00 -0.26 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 -2.34 3.67 0.10 4.61 0.00 -0.58 -4.99 121.76 122.23 3dfy s ALA 183 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3dfy s ALA 183 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 3dfy s ALA 183 CO 0.00 0.07 0.14 0.15 0.00 0.00 0.00 175.76 176.12 3dfy s LYS 184 N -4.06 3.07 -0.00 0.00 1.02 0.78 -4.98 119.74 115.55 3dfy s LYS 184 Ca 0.41 -0.67 0.08 0.00 0.02 0.00 0.00 55.97 55.81 3dfy s LYS 184 Cb -0.10 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 3dfy s LYS 184 CO 0.34 0.55 -0.24 0.71 -0.92 0.00 0.00 175.35 175.80 3dfy s TYR 185 N -1.53 2.12 -0.16 3.18 2.02 -1.26 -0.68 117.35 121.03 3dfy s TYR 185 Ca 0.31 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 3dfy s TYR 185 Cb -0.12 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.12 3dfy s TYR 185 CO 0.24 -0.00 -0.21 0.42 -1.57 0.00 0.00 175.55 174.44 3dfy s ILE 186 N -0.61 2.02 -0.20 2.71 1.01 -0.37 -0.70 121.20 125.06 3dfy s ILE 186 Ca 0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 3dfy s ILE 186 Cb -0.09 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 3dfy s ILE 186 CO -0.00 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.75 3dfy s VAL 187 N 1.06 3.58 -0.25 2.92 1.01 -0.17 0.29 120.40 128.83 3dfy s VAL 187 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3dfy s VAL 187 Cb -0.14 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.66 3dfy s VAL 187 CO -0.07 0.44 -0.06 -0.62 0.00 0.00 0.00 175.10 174.79 3dfy s ASP 188 N 1.08 4.37 0.00 3.32 -1.08 -0.40 0.04 116.67 124.00 3dfy s ASP 188 Ca 0.01 -0.98 0.27 0.00 -0.52 0.00 0.00 52.55 51.34 3dfy s ASP 188 Cb -0.15 -1.65 0.94 0.00 -1.46 0.00 0.00 42.92 40.60 3dfy s ASP 188 CO 0.00 -0.15 1.68 0.00 0.52 0.00 0.00 175.17 177.22 3dfy n ALA 189 N 4.64 2.79 -4.23 3.66 0.00 -1.02 -1.26 120.51 125.09 3dfy n ALA 189 Ca -0.16 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 3dfy n ALA 189 Cb 0.46 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.21 0.12 -0.65 0.00 4.13 -1.18 -0.99 115.26 116.47 3dfy n ASN 190 Ca 0.16 -1.24 -0.09 0.00 1.68 0.00 0.00 54.58 55.09 3dfy n ASN 190 Cb 0.35 -1.82 -0.04 0.00 -1.54 0.00 0.00 39.78 36.73 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 -4.62 -1.31 0.14 3.52 2.81 0.04 -4.80 117.12 112.91 3dfy n MET 191 Ca -0.30 0.74 0.13 0.00 -1.81 0.00 0.00 57.70 56.46 3dfy n MET 191 Cb 0.68 -4.91 0.33 0.00 -0.71 0.00 0.00 33.22 28.61 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 -4.29 3.03 0.00 -1.07 -3.35 103.07 97.40 3dfy h GLY 192 Ca -0.17 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.56 3dfy h GLY 192 CO 0.26 0.00 -0.55 -0.19 0.00 0.00 0.00 176.54 176.05 3dfy s TYR 193 N -3.14 3.27 0.74 5.60 2.02 -0.45 -4.82 117.35 120.57 3dfy s TYR 193 Ca 0.09 0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 56.76 3dfy s TYR 193 Cb 0.10 -1.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.09 3dfy s TYR 193 CO 0.62 0.53 1.11 0.95 -1.57 0.00 0.00 175.55 177.19 3dfy s THR 194 N -1.59 2.80 0.21 -0.71 -4.23 -1.26 -4.09 115.64 106.78 3dfy s THR 194 Ca 0.31 0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 3dfy s THR 194 Cb -0.11 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.64 3dfy s THR 194 CO 0.24 -0.31 1.72 1.56 -0.54 0.00 0.00 174.62 177.29 3dfy h GLN 195 N -0.78 0.33 -0.49 3.99 4.20 -1.92 0.15 115.11 120.60 3dfy h GLN 195 Ca -0.45 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.13 3dfy h GLN 195 Cb 1.29 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 3dfy h GLN 195 CO 0.64 0.22 -0.12 0.87 -0.67 0.00 0.00 178.83 179.78 3dfy h LYS 196 N 0.34 0.90 -0.42 1.46 1.79 -1.98 -2.34 116.57 116.32 3dfy h LYS 196 Ca 0.32 -0.32 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 3dfy h LYS 196 Cb 0.45 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 3dfy h LYS 196 CO -0.36 0.97 -0.17 0.93 -1.08 0.00 0.00 179.45 179.73 3dfy h GLU 197 N 0.81 0.87 -0.83 3.15 5.08 -1.76 -1.28 114.58 120.62 3dfy h GLU 197 Ca 0.13 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3dfy h GLU 197 Cb 0.64 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3dfy h GLU 197 CO 0.04 1.01 0.53 0.00 -1.00 0.00 0.00 179.01 179.60 3dfy h ALA 198 N 0.84 1.09 -0.19 3.43 0.00 -0.85 0.16 119.26 123.74 3dfy h ALA 198 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dfy h ALA 198 Cb 0.73 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dfy h ALA 198 CO 0.06 0.37 -0.15 0.28 0.00 0.00 0.00 179.25 179.81 3dfy h VAL 199 N 1.04 1.32 -0.95 0.00 2.07 -1.32 -2.66 116.25 115.77 3dfy h VAL 199 Ca 0.33 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3dfy h VAL 199 Cb -0.00 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3dfy h VAL 199 CO -0.11 0.38 0.62 -0.08 0.02 0.00 0.00 177.57 178.41 3dfy h GLU 200 N 0.11 1.19 -0.13 1.57 4.57 -0.80 -0.52 114.58 120.57 3dfy h GLU 200 Ca 0.04 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3dfy h GLU 200 Cb 0.67 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3dfy h GLU 200 CO 0.04 0.79 0.00 0.35 -1.18 0.00 0.00 179.01 179.01 3dfy h PHE 201 N 1.23 -0.01 -0.54 0.92 3.57 -0.59 -0.80 116.94 120.73 3dfy h PHE 201 Ca 0.36 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 3dfy h PHE 201 Cb -0.06 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3dfy h PHE 201 CO -0.00 -0.02 0.27 0.00 -2.23 0.00 0.00 178.31 176.34 3dfy h ALA 202 N 1.11 0.69 -0.62 2.41 0.00 -1.01 -2.29 119.26 119.55 3dfy h ALA 202 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3dfy h ALA 202 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3dfy h ALA 202 CO -0.10 0.23 0.20 0.00 0.00 0.00 0.00 179.25 179.58 3dfy h ARG 203 N 0.72 0.96 -0.11 0.00 3.08 -0.85 -0.77 114.38 117.39 3dfy h ARG 203 Ca 0.19 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3dfy h ARG 203 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3dfy h ARG 203 CO -0.03 0.84 0.05 0.00 -1.07 0.00 0.00 179.97 179.76 3dfy h ALA 204 N 1.07 0.15 -0.87 0.04 0.00 -1.04 0.04 119.26 118.64 3dfy h ALA 204 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dfy h ALA 204 Cb 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3dfy h ALA 204 CO -0.01 -0.27 0.46 0.28 0.00 0.00 0.00 179.25 179.71 3dfy h VAL 205 N 0.03 1.26 -0.62 0.00 2.07 -1.34 -2.36 116.25 115.29 3dfy h VAL 205 Ca 0.04 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3dfy h VAL 205 Cb 0.16 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3dfy h VAL 205 CO -0.00 0.30 0.22 0.22 0.02 0.00 0.00 177.57 178.33 3dfy h TYR 206 N 1.23 0.96 0.00 1.57 3.20 -0.89 -2.55 116.97 120.50 3dfy h TYR 206 Ca 0.30 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3dfy h TYR 206 Cb 0.06 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3dfy h TYR 206 CO 0.01 0.78 -0.05 1.96 -1.64 0.00 0.00 178.16 179.22 3dfy h GLN 207 N 0.87 0.00 -0.26 1.82 1.08 -0.48 -0.31 115.11 117.84 3dfy h GLN 207 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3dfy h GLN 207 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3dfy h GLN 207 CO -0.01 0.05 0.00 1.63 -0.95 0.00 0.00 178.83 179.55 3dfy n LYS 208 N -3.77 1.62 -1.04 1.46 5.02 -0.99 -4.88 118.16 115.58 3dfy n LYS 208 Ca -0.02 -0.97 -0.01 0.00 -2.02 0.00 0.00 58.31 55.28 3dfy n LYS 208 Cb 0.15 -1.23 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.95 0.49 3.85 0.72 0.00 -0.13 -5.02 105.19 106.05 3dfy n GLY 209 Ca 0.10 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.88 5.00 -0.12 -0.61 1.01 -1.01 -5.04 121.20 118.55 3dfy s ILE 210 Ca 0.00 0.74 -0.00 0.00 0.00 0.00 0.00 60.65 61.38 3dfy s ILE 210 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3dfy s ILE 210 CO 0.00 0.43 -0.11 -0.62 0.00 0.00 0.00 174.94 174.65 3dfy s ASP 211 N -1.40 4.24 -0.24 3.58 2.15 -1.26 -4.12 116.67 119.62 3dfy s ASP 211 Ca 0.29 -0.24 -0.05 0.00 0.43 0.00 0.00 52.55 52.98 3dfy s ASP 211 Cb -0.16 -1.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.94 3dfy s ASP 211 CO 0.16 0.21 0.01 -0.63 -0.17 0.00 0.00 175.17 174.75 3dfy s ILE 212 N 0.12 3.76 0.17 4.11 1.01 -1.26 -4.34 121.20 124.76 3dfy s ILE 212 Ca -0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 3dfy s ILE 212 Cb -0.14 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 3dfy s ILE 212 CO 0.04 0.34 1.55 0.00 0.00 0.00 0.00 174.94 176.87 3dfy h ALA 213 N 8.17 0.72 -2.93 9.38 0.00 -1.29 -3.40 119.26 129.90 3dfy h ALA 213 Ca -0.39 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 53.89 3dfy h ALA 213 Cb 1.16 -0.15 -0.33 0.00 0.00 0.00 0.00 17.79 18.47 3dfy h ALA 213 CO 0.59 0.67 -0.54 0.08 0.00 0.00 0.00 179.25 180.04 3dfy s VAL 214 N -4.55 -0.33 -0.53 0.00 1.01 -1.23 -4.36 120.40 110.41 3dfy s VAL 214 Ca -0.10 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3dfy s VAL 214 Cb 0.12 -0.40 0.13 0.00 0.00 0.00 0.00 36.38 36.23 3dfy s VAL 214 CO 0.86 0.12 0.44 -0.47 0.00 0.00 0.00 175.10 176.04 3dfy s TYR 215 N 2.23 3.38 0.02 5.22 5.04 0.11 -0.99 117.35 132.35 3dfy s TYR 215 Ca -0.00 -1.69 -0.25 0.00 -2.44 0.00 0.00 57.07 52.69 3dfy s TYR 215 Cb -0.12 -3.63 -0.05 0.00 0.35 0.00 0.00 41.96 38.52 3dfy s TYR 215 CO -0.08 -1.00 0.75 -2.00 -1.34 0.00 0.00 175.55 171.88 3dfy s GLU 216 N 1.32 4.47 -0.12 4.97 2.12 0.11 -0.51 118.70 131.07 3dfy s GLU 216 Ca 0.06 1.02 -0.02 0.00 0.36 0.00 0.00 54.97 56.39 3dfy s GLU 216 Cb -0.26 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.75 3dfy s GLU 216 CO 0.00 0.23 0.11 0.94 -0.54 0.00 0.00 175.26 176.00 3dfy n GLN 217 N 3.04 -0.29 0.14 4.30 -0.06 0.10 -2.42 117.38 122.20 3dfy n GLN 217 Ca -0.02 0.17 0.01 0.00 -2.00 0.00 0.00 57.00 55.16 3dfy n GLN 217 Cb 0.50 -0.36 0.13 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 0.62 0.00 -5.94 3.69 0.13 -1.84 0.16 132.00 128.83 3dfy h PRO 218 Ca -0.11 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.47 3dfy h PRO 218 Cb 0.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.30 3dfy h PRO 218 CO 0.05 0.58 -0.42 0.14 -0.23 0.00 0.00 178.00 178.12 3dfy s VAL 219 N -3.23 2.16 0.71 1.56 -7.23 -1.26 -1.34 120.40 111.77 3dfy s VAL 219 Ca 0.01 -1.57 -0.16 0.00 -1.81 0.00 0.00 61.98 58.45 3dfy s VAL 219 Cb 0.10 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 3dfy s VAL 219 CO 0.74 0.00 0.83 0.54 -0.31 0.00 0.00 175.10 176.90 3dfy n ARG 220 N -1.45 0.46 -0.10 4.82 1.74 -1.26 -4.16 116.66 116.71 3dfy n ARG 220 Ca -0.01 0.21 0.03 0.00 -0.77 0.00 0.00 57.85 57.30 3dfy n ARG 220 Cb 0.64 -2.09 0.35 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.25 0.74 -0.00 5.56 0.11 -1.92 -2.55 114.38 116.07 3dfy h ARG 221 Ca -0.47 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3dfy h ARG 221 Cb 1.34 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.25 3dfy h ARG 221 CO 0.46 0.49 -0.07 0.39 0.10 0.00 0.00 179.97 181.33 3dfy n GLU 222 N -4.45 0.01 -2.40 0.08 -0.58 -1.26 -4.45 120.64 107.59 3dfy n GLU 222 Ca 0.06 -0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.37 3dfy n GLU 222 Cb 0.06 -1.50 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 -1.49 5.13 -0.26 1.62 2.03 -0.96 -4.74 116.55 117.87 3dfy n ASP 223 Ca 0.07 -3.11 -0.05 0.00 0.52 0.00 0.00 54.79 52.22 3dfy n ASP 223 Cb 0.34 -1.48 0.10 0.00 -0.72 0.00 0.00 41.12 39.36 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 3.80 1.25 -0.84 5.18 1.08 -1.84 -1.72 117.51 124.42 3dfy h ILE 224 Ca 0.38 -0.77 0.03 0.00 -0.39 0.00 0.00 64.86 64.11 3dfy h ILE 224 Cb 0.65 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 3dfy h ILE 224 CO 1.59 0.32 0.54 -0.08 -0.69 0.00 0.00 178.15 179.83 3dfy h GLU 225 N 1.11 1.02 -0.50 2.37 4.81 -1.98 -1.49 114.58 119.91 3dfy h GLU 225 Ca 0.26 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3dfy h GLU 225 Cb 0.19 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3dfy h GLU 225 CO -0.02 0.68 0.00 0.78 -0.73 0.00 0.00 179.01 179.71 3dfy h GLY 226 N 1.05 0.96 0.86 1.92 0.00 -1.75 -0.52 103.07 105.60 3dfy h GLY 226 Ca 0.34 -0.70 0.03 0.00 0.00 0.00 0.00 47.33 46.99 3dfy h GLY 226 CO -0.12 0.65 0.31 1.41 0.00 0.00 0.00 176.54 178.79 3dfy h LEU 227 N 0.75 0.50 -0.83 3.11 3.38 -0.84 0.08 115.31 121.46 3dfy h LEU 227 Ca 0.14 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3dfy h LEU 227 Cb 0.52 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3dfy h LEU 227 CO 0.03 0.35 0.34 0.50 0.09 0.00 0.00 178.44 179.75 3dfy h LYS 228 N 0.62 1.20 -0.21 1.13 3.64 -1.05 0.11 116.57 122.01 3dfy h LYS 228 Ca 0.22 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3dfy h LYS 228 Cb 0.03 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3dfy h LYS 228 CO -0.10 0.95 0.08 0.35 -2.27 0.00 0.00 179.45 178.46 3dfy h PHE 229 N 1.17 0.32 -0.60 1.91 3.57 -0.31 -1.00 116.94 122.00 3dfy h PHE 229 Ca 0.27 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3dfy h PHE 229 Cb 0.19 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3dfy h PHE 229 CO 0.02 0.37 0.23 0.28 -2.23 0.00 0.00 178.31 176.98 3dfy h VAL 230 N 0.18 1.23 -0.72 1.41 2.07 -0.77 -2.59 116.25 117.06 3dfy h VAL 230 Ca 0.07 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.93 3dfy h VAL 230 Cb 0.19 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 3dfy h VAL 230 CO -0.01 0.29 0.39 -0.09 0.02 0.00 0.00 177.57 178.17 3dfy h ARG 231 N 0.84 0.66 -0.57 1.57 2.43 -0.53 0.42 114.38 119.20 3dfy h ARG 231 Ca 0.20 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3dfy h ARG 231 Cb 0.22 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3dfy h ARG 231 CO -0.01 0.44 0.05 0.35 -1.51 0.00 0.00 179.97 179.28 3dfy h PHE 232 N 0.68 1.00 0.00 2.20 3.57 -0.81 -3.25 116.94 120.33 3dfy h PHE 232 Ca 0.34 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3dfy h PHE 232 Cb 0.30 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3dfy h PHE 232 CO -0.09 0.88 -1.49 0.72 -2.23 0.00 0.00 178.31 176.11 3dfy n HIS 233 N -4.21 0.56 -2.49 0.41 8.25 -0.97 -4.94 115.22 111.83 3dfy n HIS 233 Ca 0.03 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.25 3dfy n HIS 233 Cb 0.30 -0.80 -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 -5.08 7.20 0.00 0.41 0.15 0.14 -4.91 113.70 111.60 3dfy s SER 234 Ca -0.04 2.03 0.29 0.00 0.70 0.00 0.00 55.95 58.93 3dfy s SER 234 Cb 0.11 -2.59 1.36 0.00 -1.71 0.00 0.00 66.02 63.19 3dfy s SER 234 CO 0.84 -0.32 1.98 -0.81 1.20 0.00 0.00 173.24 176.13 3dfy n PRO 235 N 3.10 0.19 -4.19 5.44 -0.04 -1.26 -4.79 135.00 133.46 3dfy n PRO 235 Ca 0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 3dfy n PRO 235 Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.81 3.00 0.26 0.54 0.08 -1.26 -5.04 117.98 112.75 3dfy s PHE 236 Ca 0.20 -0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 3dfy s PHE 236 Cb 0.19 -1.57 -0.11 0.00 -0.57 0.00 0.00 43.02 40.96 3dfy s PHE 236 CO 0.50 0.47 1.60 -2.14 -0.10 0.00 0.00 175.22 175.54 3dfy s PRO 237 N -2.09 4.15 -0.14 0.24 0.02 -1.26 -4.82 135.00 131.10 3dfy s PRO 237 Ca 0.24 2.53 -0.07 0.00 0.02 0.00 0.00 61.00 63.72 3dfy s PRO 237 Cb -0.12 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3dfy s PRO 237 CO 0.16 -0.63 0.11 0.08 -0.33 0.00 0.00 177.00 176.39 3dfy s VAL 238 N 0.31 5.25 0.11 3.83 1.01 -1.26 -0.71 120.40 128.94 3dfy s VAL 238 Ca 0.65 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.84 3dfy s VAL 238 Cb -0.47 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3dfy s VAL 238 CO 0.43 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.91 3dfy s ALA 239 N -0.54 2.66 -0.14 5.51 0.00 0.34 -0.72 121.76 128.86 3dfy s ALA 239 Ca 0.12 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 3dfy s ALA 239 Cb -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3dfy s ALA 239 CO 0.02 0.59 0.06 0.00 0.00 0.00 0.00 175.76 176.43 3dfy s ALA 240 N -1.12 3.47 0.00 0.00 0.00 -0.31 0.02 121.76 123.82 3dfy s ALA 240 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3dfy s ALA 240 Cb -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.22 3dfy s ALA 240 CO 0.09 0.40 0.00 -3.47 0.00 0.00 0.00 175.76 172.79 3dfy n ASP 241 N 2.76 0.00 -0.17 0.00 -0.08 -1.26 -0.18 116.55 117.61 3dfy n ASP 241 Ca -0.18 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.25 3dfy n ASP 241 Cb 0.53 0.00 0.49 0.00 2.34 0.00 0.00 41.12 44.48 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 0.43 0.00 -0.67 3.07 -1.94 0.58 114.58 116.04 3dfy h GLU 242 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3dfy h GLU 242 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3dfy h GLU 242 CO 0.00 0.28 0.00 0.43 -1.40 0.00 0.00 179.01 178.32 3dfy n SER 243 N -4.48 0.46 -3.98 1.42 7.64 -1.26 -4.33 113.62 109.09 3dfy n SER 243 Ca 0.14 0.58 -0.31 0.00 1.01 0.00 0.00 58.87 60.30 3dfy n SER 243 Cb 0.52 -0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 62.90 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 -3.15 3.47 -0.18 -0.43 0.00 0.19 -4.73 121.76 116.92 3dfy s ALA 244 Ca 0.08 -3.37 -0.01 0.00 0.00 0.00 0.00 51.96 48.65 3dfy s ALA 244 Cb 0.11 -2.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.83 3dfy s ALA 244 CO 0.43 -2.06 -0.18 0.54 0.00 0.00 0.00 175.76 174.50 3dfy n ARG 245 N 3.01 0.44 -4.25 0.00 1.74 -1.26 -4.82 116.66 111.51 3dfy n ARG 245 Ca 0.08 0.12 -0.27 0.00 -0.77 0.00 0.00 57.85 57.01 3dfy n ARG 245 Cb 0.34 -1.32 -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 1.88 0.23 0.55 -4.23 -1.26 -3.34 115.64 107.11 3dfy s THR 246 Ca -0.25 -1.74 0.23 0.00 -1.18 0.00 0.00 61.69 58.75 3dfy s THR 246 Cb 0.07 -2.62 0.22 0.00 1.34 0.00 0.00 72.50 71.51 3dfy s THR 246 CO 0.40 0.00 1.87 0.07 -0.54 0.00 0.00 174.62 176.42 3dfy h LYS 247 N 1.28 0.00 -0.02 3.99 2.10 -1.94 -2.45 116.57 119.52 3dfy h LYS 247 Ca -0.42 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.02 3dfy h LYS 247 Cb 1.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3dfy h LYS 247 CO 0.69 0.24 -0.88 0.74 -2.00 0.00 0.00 179.45 178.24 3dfy h PHE 248 N 0.00 0.59 -0.37 0.07 0.04 -1.97 -1.85 116.94 113.45 3dfy h PHE 248 Ca -0.00 -0.30 -0.01 0.00 2.80 0.00 0.00 57.97 60.45 3dfy h PHE 248 Cb 0.67 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 3dfy h PHE 248 CO 0.00 1.11 0.19 -0.44 -0.60 0.00 0.00 178.31 178.56 3dfy h ASP 249 N 0.24 0.48 -0.47 2.17 3.32 -1.78 -2.28 116.42 118.10 3dfy h ASP 249 Ca -0.06 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 3dfy h ASP 249 Cb 1.50 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 3dfy h ASP 249 CO 0.15 0.46 -0.01 0.58 -1.72 0.00 0.00 179.24 178.70 3dfy h VAL 250 N 0.46 1.25 -0.53 -1.35 2.07 -1.43 -1.09 116.25 115.64 3dfy h VAL 250 Ca 0.13 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 3dfy h VAL 250 Cb 0.10 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3dfy h VAL 250 CO -0.02 0.38 0.12 -0.03 0.02 0.00 0.00 177.57 178.05 3dfy h MET 251 N 0.83 0.81 -0.37 1.57 1.85 -1.14 -0.39 114.93 118.08 3dfy h MET 251 Ca 0.15 -0.17 -0.08 0.00 -0.61 0.00 0.00 59.70 59.00 3dfy h MET 251 Cb 0.50 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.40 3dfy h MET 251 CO 0.02 0.74 -0.06 -0.09 -0.40 0.00 0.00 176.91 177.12 3dfy h ARG 252 N 0.78 0.70 -1.00 0.39 2.43 -0.98 -0.88 114.38 115.84 3dfy h ARG 252 Ca 0.17 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3dfy h ARG 252 Cb 0.30 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 3dfy h ARG 252 CO -0.00 0.84 0.66 -0.07 -1.51 0.00 0.00 179.97 179.89 3dfy h LEU 253 N 0.51 1.12 -0.19 3.80 3.38 -0.68 -0.08 115.31 123.18 3dfy h LEU 253 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dfy h LEU 253 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dfy h LEU 253 CO 0.03 0.79 0.02 0.58 0.09 0.00 0.00 178.44 179.95 3dfy h VAL 254 N 1.31 1.24 -0.09 1.22 2.07 -0.81 -0.90 116.25 120.29 3dfy h VAL 254 Ca 0.38 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3dfy h VAL 254 Cb -0.09 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3dfy h VAL 254 CO -0.10 0.24 -0.13 0.11 0.02 0.00 0.00 177.57 177.71 3dfy h LYS 255 N 0.09 0.14 -0.00 1.57 1.57 -0.75 -2.12 116.57 117.07 3dfy h LYS 255 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3dfy h LYS 255 Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3dfy h LYS 255 CO 0.01 0.28 -0.23 0.39 -0.57 0.00 0.00 179.45 179.32 3dfy n GLU 256 N -4.31 0.40 -3.77 3.15 -0.58 -0.08 -4.92 120.64 110.52 3dfy n GLU 256 Ca -0.01 -0.17 -0.26 0.00 -0.42 0.00 0.00 57.16 56.29 3dfy n GLU 256 Cb 0.24 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.15 -5.87 0.09 3.49 1.02 -0.43 -4.92 120.64 112.87 3dfy n GLU 257 Ca 0.10 0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 57.77 3dfy n GLU 257 Cb 0.32 -5.50 -0.13 0.00 -0.02 0.00 0.00 31.44 26.10 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 0.94 0.16 -2.39 0.62 0.00 -1.59 -3.45 119.26 113.56 3dfy h ALA 258 Ca -0.59 -0.89 -0.24 0.00 0.00 0.00 0.00 54.91 53.19 3dfy h ALA 258 Cb 1.37 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 3dfy h ALA 258 CO 0.61 1.04 -0.65 0.14 0.00 0.00 0.00 179.25 180.40 3dfy s VAL 259 N -2.67 0.31 -0.13 0.00 -7.23 -1.26 -3.01 120.40 106.40 3dfy s VAL 259 Ca -0.03 -1.95 0.16 0.00 -1.81 0.00 0.00 61.98 58.36 3dfy s VAL 259 Cb 0.08 -2.17 -0.24 0.00 0.56 0.00 0.00 36.38 34.61 3dfy s VAL 259 CO 0.87 -0.38 0.37 0.47 -0.31 0.00 0.00 175.10 176.12 3dfy n ASP 260 N -0.19 0.38 -4.19 4.85 8.00 0.10 -4.95 116.55 120.55 3dfy n ASP 260 Ca -0.04 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 3dfy n ASP 260 Cb 0.64 0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 42.27 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 -2.64 0.99 -0.04 1.24 1.51 -0.23 -1.14 117.35 117.04 3dfy s TYR 261 Ca -0.07 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.17 3dfy s TYR 261 Cb 0.07 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 3dfy s TYR 261 CO 0.83 -0.08 -0.10 0.08 -1.11 0.00 0.00 175.55 175.17 3dfy s VAL 262 N -3.38 0.91 -0.46 0.71 1.01 -1.02 -1.17 120.40 117.01 3dfy s VAL 262 Ca 0.12 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 3dfy s VAL 262 Cb 0.03 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.65 3dfy s VAL 262 CO -0.03 0.29 0.36 0.21 0.00 0.00 0.00 175.10 175.93 3dfy s ASN 263 N 0.43 6.05 0.08 3.32 2.47 0.74 -2.25 114.94 125.78 3dfy s ASN 263 Ca -0.08 -1.31 -0.28 0.00 0.42 0.00 0.00 52.86 51.62 3dfy s ASN 263 Cb -0.12 -2.14 -0.06 0.00 -1.45 0.00 0.00 41.25 37.48 3dfy s ASN 263 CO 0.02 -0.60 0.87 -0.63 -3.72 0.00 0.00 177.10 173.03 3dfy s ILE 264 N 1.61 4.61 -0.09 -5.21 1.01 -0.22 -4.67 121.20 118.23 3dfy s ILE 264 Ca 0.04 1.87 -0.00 0.00 0.00 0.00 0.00 60.65 62.56 3dfy s ILE 264 Cb -0.23 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.03 3dfy s ILE 264 CO 0.06 0.34 -0.06 -0.54 0.00 0.00 0.00 174.94 174.74 3dfy s LYS 265 N -0.01 1.27 0.49 2.79 1.02 -1.26 -0.72 119.74 123.32 3dfy s LYS 265 Ca 0.43 -0.18 0.17 0.00 0.02 0.00 0.00 55.97 56.41 3dfy s LYS 265 Cb -0.22 -1.34 1.20 0.00 -0.52 0.00 0.00 37.83 36.94 3dfy s LYS 265 CO 0.27 -0.21 2.05 -0.07 -0.92 0.00 0.00 175.35 176.46 3dfy h LEU 266 N 7.93 0.15 -0.37 3.17 3.38 -1.86 0.14 115.31 127.85 3dfy h LEU 266 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3dfy h LEU 266 Cb 1.14 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3dfy h LEU 266 CO 0.39 0.10 0.00 0.23 0.09 0.00 0.00 178.44 179.25 3dfy n MET 267 N -4.47 0.08 -0.12 1.13 2.81 -1.26 -0.02 117.12 115.27 3dfy n MET 267 Ca 0.05 0.38 -0.17 0.00 -1.81 0.00 0.00 57.70 56.14 3dfy n MET 267 Cb 0.31 -1.67 -0.10 0.00 -0.71 0.00 0.00 33.22 31.05 3dfy n MET 267 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3dfy n LYS 268 N -1.82 0.57 -0.03 0.03 5.02 0.38 -2.98 118.16 119.33 3dfy n LYS 268 Ca 0.02 0.15 0.04 0.00 -2.02 0.00 0.00 58.31 56.49 3dfy n LYS 268 Cb 0.16 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 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 -3.31 1.19 0.00 4.39 7.64 -0.55 -4.69 113.62 118.29 3dfy n SER 269 Ca -0.42 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.46 3dfy n SER 269 Cb 0.92 1.49 0.00 0.00 -1.01 0.00 0.00 64.21 65.61 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 1.71 -1.47 0.18 0.23 0.00 0.96 -3.42 105.19 103.39 3dfy n GLY 270 Ca -0.10 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 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 1.34 0.35 -0.61 1.08 -1.84 -2.74 117.51 115.09 3dfy h ILE 271 Ca 0.00 -1.69 -0.00 0.00 -0.39 0.00 0.00 64.86 62.78 3dfy h ILE 271 Cb 0.00 2.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3dfy h ILE 271 CO 0.00 0.52 -0.49 0.77 -0.69 0.00 0.00 178.15 178.25 3dfy h SER 272 N 0.21 -1.39 0.00 1.72 4.64 -1.95 0.51 113.55 117.29 3dfy h SER 272 Ca -0.01 0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3dfy h SER 272 Cb 1.04 0.48 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 3dfy h SER 272 CO 0.09 -0.61 -0.19 0.44 -0.87 0.00 0.00 176.83 175.70 3dfy h ASP 273 N -0.88 0.33 -0.81 4.97 5.19 -1.69 -2.42 116.42 121.11 3dfy h ASP 273 Ca -0.03 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 3dfy h ASP 273 Cb 0.81 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 3dfy h ASP 273 CO -0.14 0.53 0.48 0.00 -3.12 0.00 0.00 179.24 176.99 3dfy h ALA 274 N 1.50 1.04 -0.39 3.45 0.00 -1.12 0.14 119.26 123.87 3dfy h ALA 274 Ca 0.06 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3dfy h ALA 274 Cb 0.51 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3dfy h ALA 274 CO 0.03 0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 179.59 3dfy h LEU 275 N 1.12 0.70 -0.40 0.00 3.38 -0.51 -1.64 115.31 117.96 3dfy h LEU 275 Ca 0.29 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3dfy h LEU 275 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3dfy h LEU 275 CO -0.05 0.85 -0.04 0.00 0.09 0.00 0.00 178.44 179.29 3dfy h ALA 276 N 1.21 0.54 -0.86 1.53 0.00 -0.87 -2.72 119.26 118.09 3dfy h ALA 276 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3dfy h ALA 276 Cb 0.59 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3dfy h ALA 276 CO 0.04 0.36 0.53 0.82 0.00 0.00 0.00 179.25 181.00 3dfy h ILE 277 N 0.54 1.23 -0.28 0.00 2.04 -0.50 -0.05 117.51 120.50 3dfy h ILE 277 Ca 0.11 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3dfy h ILE 277 Cb 0.54 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3dfy h ILE 277 CO 0.03 0.24 0.19 0.58 0.00 0.00 0.00 178.15 179.19 3dfy h VAL 278 N 1.18 1.07 -0.62 1.67 2.07 -1.15 -0.49 116.25 119.99 3dfy h VAL 278 Ca 0.31 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.62 3dfy h VAL 278 Cb -0.07 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3dfy h VAL 278 CO -0.06 0.07 0.07 -0.33 0.02 0.00 0.00 177.57 177.34 3dfy h GLU 279 N 0.38 1.02 -0.34 1.57 4.39 -1.07 -1.99 114.58 118.54 3dfy h GLU 279 Ca 0.10 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 3dfy h GLU 279 Cb -0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3dfy h GLU 279 CO -0.02 0.95 0.05 0.82 -1.16 0.00 0.00 179.01 179.65 3dfy h ILE 280 N 0.95 1.24 -0.48 3.13 2.04 -0.77 -2.71 117.51 120.91 3dfy h ILE 280 Ca 0.19 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3dfy h ILE 280 Cb 0.45 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3dfy h ILE 280 CO 0.02 0.28 0.22 0.00 0.00 0.00 0.00 178.15 178.67 3dfy h ALA 281 N 0.89 0.62 0.00 1.87 0.00 -0.94 -2.07 119.26 119.62 3dfy h ALA 281 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 281 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dfy h ALA 281 CO 0.01 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3dfy n GLU 282 N -4.62 0.20 -0.03 0.00 1.02 -0.76 -1.86 120.64 114.58 3dfy n GLU 282 Ca 0.01 0.12 0.07 0.00 -0.02 0.00 0.00 57.16 57.35 3dfy n GLU 282 Cb 0.12 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.35 2.36 -0.11 1.62 7.64 -0.84 -4.58 113.62 118.37 3dfy n SER 283 Ca 0.08 -1.67 0.01 0.00 1.01 0.00 0.00 58.87 58.30 3dfy n SER 283 Cb 0.18 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.82 0.49 -0.03 6.43 3.41 -0.87 -5.01 113.62 118.85 3dfy n SER 284 Ca 0.10 -1.52 -0.00 0.00 -0.26 0.00 0.00 58.87 57.18 3dfy n SER 284 Cb 0.38 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.18 0.45 3.76 5.00 0.00 -1.01 -5.01 105.19 108.20 3dfy n GLY 285 Ca 0.01 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.10 4.53 0.42 0.99 2.96 -0.78 -5.01 118.68 121.69 3dfy s LEU 286 Ca 0.00 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 3dfy s LEU 286 Cb 0.00 -3.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 3dfy s LEU 286 CO 0.00 0.09 0.64 -0.54 -1.32 0.00 0.00 176.35 175.22 3dfy s LYS 287 N -0.55 3.20 0.05 1.98 -0.14 -0.29 -4.44 119.74 119.56 3dfy s LYS 287 Ca 0.39 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.59 3dfy s LYS 287 Cb -0.22 -2.58 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 3dfy s LYS 287 CO 0.26 -0.15 -0.08 -0.51 -0.76 0.00 0.00 175.35 174.11 3dfy s LEU 288 N -4.49 2.31 0.06 3.17 1.43 -1.26 -2.43 118.68 117.48 3dfy s LEU 288 Ca 0.46 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3dfy s LEU 288 Cb -0.10 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 3dfy s LEU 288 CO 0.38 -0.26 -0.05 0.00 0.23 0.00 0.00 176.35 176.64 3dfy s MET 289 N -2.10 0.65 -0.04 1.70 0.23 -0.95 -1.01 119.30 117.77 3dfy s MET 289 Ca -0.05 -1.15 0.04 0.00 -1.03 0.00 0.00 55.69 53.50 3dfy s MET 289 Cb -0.06 0.01 -0.00 0.00 -1.53 0.00 0.00 34.83 33.24 3dfy s MET 289 CO -0.01 -0.06 -0.16 -1.50 -2.03 0.00 0.00 175.02 171.27 3dfy s ILE 290 N -3.30 1.34 0.00 3.16 2.07 -1.03 -1.06 121.20 122.38 3dfy s ILE 290 Ca 0.05 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 3dfy s ILE 290 Cb 0.03 -1.16 0.00 0.00 0.13 0.00 0.00 42.46 41.46 3dfy s ILE 290 CO -0.06 0.39 0.00 0.61 -1.91 0.00 0.00 174.94 173.97 3dfy n GLY 291 N 3.22 6.73 3.66 1.50 0.00 0.10 -0.02 105.19 120.37 3dfy n GLY 291 Ca -0.18 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.15 0.00 2.81 -1.26 -4.99 117.12 112.00 3dfy n MET 293 Ca -0.04 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.82 3dfy n MET 293 Cb 0.61 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.25 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 4.76 5.11 3.75 3.03 0.00 -1.26 -4.79 105.19 115.78 3dfy n GLY 294 Ca 0.00 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3dfy n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfy s GLU 295 N -3.13 3.08 0.13 1.61 8.01 -1.26 -4.90 118.70 122.24 3dfy s GLU 295 Ca 0.41 2.25 -0.01 0.00 0.01 0.00 0.00 54.97 57.64 3dfy s GLU 295 Cb 0.38 -2.23 0.03 0.00 -4.31 0.00 0.00 34.13 28.00 3dfy s GLU 295 CO -0.04 -1.24 0.18 -1.13 0.01 0.00 0.00 175.26 173.03 3dfy n SER 296 N -1.10 0.18 -0.03 -0.19 3.41 -1.26 -2.92 113.62 111.70 3dfy n SER 296 Ca 0.11 -1.16 0.01 0.00 -0.26 0.00 0.00 58.87 57.56 3dfy n SER 296 Cb 0.45 -0.12 0.32 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.15 0.54 -0.03 4.04 4.64 -1.93 0.11 113.55 120.78 3dfy h SER 297 Ca -0.06 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 3dfy h SER 297 Cb 0.20 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3dfy h SER 297 CO 0.06 0.51 -0.32 0.25 -0.87 0.00 0.00 176.83 176.46 3dfy h LEU 298 N 0.58 0.51 -0.12 5.97 6.46 -1.94 -1.95 115.31 124.82 3dfy h LEU 298 Ca 0.14 -0.19 -0.24 0.00 -0.12 0.00 0.00 57.88 57.47 3dfy h LEU 298 Cb 0.17 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3dfy h LEU 298 CO -0.01 0.80 -0.90 1.23 -0.62 0.00 0.00 178.44 178.95 3dfy h GLY 299 N 1.06 0.76 2.00 3.75 0.00 -1.66 -3.11 103.07 105.88 3dfy h GLY 299 Ca 0.05 -1.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.13 3dfy h GLY 299 CO 0.06 1.06 -0.23 1.19 0.00 0.00 0.00 176.54 178.62 3dfy h ILE 300 N 0.43 0.82 -0.66 2.60 6.09 -0.72 -2.07 117.51 123.99 3dfy h ILE 300 Ca -0.08 -0.93 0.12 0.00 -1.37 0.00 0.00 64.86 62.59 3dfy h ILE 300 Cb 1.53 1.56 -0.04 0.00 0.47 0.00 0.00 36.82 40.34 3dfy h ILE 300 CO 0.18 0.23 0.44 -1.13 -3.07 0.00 0.00 178.15 174.80 3dfy h ASN 301 N 0.00 0.39 0.08 2.19 -1.24 -1.27 -0.43 115.58 115.30 3dfy h ASN 301 Ca -0.00 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 3dfy h ASN 301 Cb 0.54 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.52 3dfy h ASN 301 CO 0.03 0.22 -0.05 1.56 -1.29 0.00 0.00 177.43 177.90 3dfy h GLN 302 N 0.43 -0.13 -0.22 6.67 4.20 -1.47 -1.51 115.11 123.08 3dfy h GLN 302 Ca 0.31 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.91 3dfy h GLN 302 Cb 0.65 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3dfy h GLN 302 CO -0.09 -0.09 -0.40 0.77 -0.67 0.00 0.00 178.83 178.35 3dfy h SER 303 N -0.13 0.53 -0.41 1.46 0.02 -1.38 -2.23 113.55 111.41 3dfy h SER 303 Ca -0.01 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 3dfy h SER 303 Cb 0.11 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3dfy h SER 303 CO 0.00 0.88 0.17 0.58 -1.14 0.00 0.00 176.83 177.32 3dfy h VAL 304 N 0.42 1.19 -0.35 2.27 2.07 -0.95 0.22 116.25 121.12 3dfy h VAL 304 Ca 0.04 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 3dfy h VAL 304 Cb 0.88 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3dfy h VAL 304 CO 0.07 0.22 -0.14 0.45 0.02 0.00 0.00 177.57 178.19 3dfy h HIS 305 N 0.51 0.67 -0.29 1.57 -0.00 -1.22 0.21 115.15 116.61 3dfy h HIS 305 Ca 0.14 -0.12 -0.06 0.00 -0.00 0.00 0.00 60.37 60.33 3dfy h HIS 305 Cb 0.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3dfy h HIS 305 CO -0.00 0.72 -0.05 0.35 -0.00 0.00 0.00 177.93 178.95 3dfy h PHE 306 N 0.56 0.61 -0.40 2.45 3.57 -0.95 -0.67 116.94 122.11 3dfy h PHE 306 Ca 0.10 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 3dfy h PHE 306 Cb 0.56 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3dfy h PHE 306 CO 0.02 0.73 -0.21 0.00 -2.23 0.00 0.00 178.31 176.62 3dfy h ALA 307 N 0.80 0.88 -0.07 2.41 0.00 -0.36 -2.04 119.26 120.88 3dfy h ALA 307 Ca 0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3dfy h ALA 307 Cb 0.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dfy h ALA 307 CO 0.02 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.75 3dfy h LEU 308 N 0.68 0.20 -0.02 0.00 3.38 -0.92 -0.35 115.31 118.29 3dfy h LEU 308 Ca 0.10 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3dfy h LEU 308 Cb 0.72 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3dfy h LEU 308 CO 0.06 0.66 0.01 1.23 0.09 0.00 0.00 178.44 180.49 3dfy h GLY 309 N -0.27 0.03 1.89 0.83 0.00 -1.11 -1.27 103.07 103.17 3dfy h GLY 309 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3dfy h GLY 309 CO 0.02 0.02 -1.00 -0.91 0.00 0.00 0.00 176.54 174.66 3dfy h THR 310 N -0.14 1.62 -1.32 4.70 1.35 -1.50 -1.52 112.91 116.11 3dfy h THR 310 Ca 0.01 -3.13 -0.39 0.00 -0.55 0.00 0.00 66.41 62.35 3dfy h THR 310 Cb 0.18 2.76 -0.14 0.00 -1.73 0.00 0.00 68.15 69.22 3dfy h THR 310 CO -0.00 0.90 -0.37 0.61 -0.25 0.00 0.00 175.52 176.41 3dfy n GLY 311 N 1.23 1.57 0.00 5.82 0.00 -0.14 -4.78 105.19 108.89 3dfy n GLY 311 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 0.82 2.38 -2.80 4.61 0.00 -1.26 -4.89 120.51 119.37 3dfy n ALA 312 Ca -0.19 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 3dfy n ALA 312 Cb 0.63 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.78 3.28 0.05 0.00 0.08 -1.26 -4.47 117.98 112.87 3dfy s PHE 313 Ca 0.21 0.17 -0.17 0.00 0.12 0.00 0.00 56.93 57.26 3dfy s PHE 313 Cb 0.19 -1.97 -0.21 0.00 -0.57 0.00 0.00 43.02 40.47 3dfy s PHE 313 CO 0.48 0.33 1.19 0.93 -0.10 0.00 0.00 175.22 178.06 3dfy h GLU 314 N 5.97 0.58 -5.35 0.44 4.39 -1.42 -3.46 114.58 115.73 3dfy h GLU 314 Ca -0.44 -0.55 -0.41 0.00 0.34 0.00 0.00 59.36 58.31 3dfy h GLU 314 Cb 1.19 0.14 -0.19 0.00 -0.10 0.00 0.00 28.75 29.78 3dfy h GLU 314 CO 0.64 1.17 -0.76 -0.06 -1.16 0.00 0.00 179.01 178.83 3dfy s PHE 315 N -3.46 1.31 -0.09 4.33 0.08 -1.24 -5.05 117.98 113.85 3dfy s PHE 315 Ca -0.12 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.41 3dfy s PHE 315 Cb 0.06 -0.70 0.02 0.00 -0.57 0.00 0.00 43.02 41.82 3dfy s PHE 315 CO 0.86 0.10 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.96 3dfy s HIS 316 N -1.89 1.56 -0.69 0.36 3.76 -1.25 -2.46 115.29 114.69 3dfy s HIS 316 Ca 0.05 -0.70 0.05 0.00 -0.15 0.00 0.00 55.06 54.31 3dfy s HIS 316 Cb -0.06 -1.20 0.25 0.00 1.11 0.00 0.00 32.58 32.67 3dfy s HIS 316 CO 0.02 -0.42 0.79 -3.47 -0.85 0.00 0.00 174.74 170.81 3dfy n ASP 317 N 4.37 3.94 -3.40 1.40 2.03 0.97 -1.19 116.55 124.67 3dfy n ASP 317 Ca -0.18 -3.42 -0.27 0.00 0.52 0.00 0.00 54.79 51.44 3dfy n ASP 317 Cb 0.51 -0.74 -0.08 0.00 -0.72 0.00 0.00 41.12 40.09 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 1.03 3.84 -0.26 -2.67 4.77 -1.26 -3.09 117.00 119.37 3dfy n LEU 318 Ca 0.28 -5.46 0.03 0.00 -0.03 0.00 0.00 56.01 50.84 3dfy n LEU 318 Cb 0.40 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.89 3dfy n LEU 318 CO 0.42 2.07 0.56 -0.90 -1.33 0.00 0.00 177.39 178.21 3dfy n ASP 319 N 0.79 2.42 -0.28 -1.43 5.75 -1.26 -4.74 116.55 117.79 3dfy n ASP 319 Ca 0.30 -2.15 -0.04 0.00 -0.01 0.00 0.00 54.79 52.89 3dfy n ASP 319 Cb 0.41 -0.14 0.11 0.00 -1.03 0.00 0.00 41.12 40.47 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 0.74 1.05 1.00 -1.12 4.64 -1.87 -2.30 113.55 115.69 3dfy h SER 320 Ca 0.00 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3dfy h SER 320 Cb 0.67 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3dfy h SER 320 CO 0.01 0.88 -0.12 1.12 -0.87 0.00 0.00 176.83 177.85 3dfy h HIS 321 N 1.15 0.00 0.00 4.77 2.07 -1.80 -2.70 115.15 118.64 3dfy h HIS 321 Ca 0.28 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.72 3dfy h HIS 321 Cb 0.10 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 3dfy h HIS 321 CO 0.01 0.12 -0.38 -0.07 -3.07 0.00 0.00 177.93 174.54 3dfy h LEU 322 N 0.00 0.00 -2.73 6.12 3.38 -1.75 -3.17 115.31 117.15 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 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dfy h LEU 322 CO 0.02 0.38 0.00 0.23 0.09 0.00 0.00 178.44 179.16 3dfy n MET 323 N -3.25 3.64 0.00 1.13 2.81 -1.02 -5.02 117.12 115.42 3dfy n MET 323 Ca 0.02 -2.20 0.00 0.00 -1.81 0.00 0.00 57.70 53.71 3dfy n MET 323 Cb 0.65 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 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 0.49 0.00 -3.97 4.03 4.77 -1.20 -2.62 117.00 118.50 3dfy n LEU 324 Ca 0.19 0.00 -0.56 0.00 -0.03 0.00 0.00 56.01 55.61 3dfy n LEU 324 Cb 0.88 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.89 3dfy n LEU 324 CO 0.22 0.00 0.87 0.55 -1.33 0.00 0.00 177.39 177.71 3dfy n VAL 328 N 0.00 0.00 -1.68 4.08 3.14 -1.26 -4.91 118.33 117.70 3dfy n VAL 328 Ca 0.00 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 60.93 3dfy n VAL 328 Cb 0.00 -0.34 -0.04 0.00 -1.06 0.00 0.00 33.84 32.40 3dfy n VAL 328 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 3dfy n PHE 329 N 2.96 2.44 -0.57 1.45 7.35 -1.26 -4.90 117.46 124.94 3dfy n PHE 329 Ca 0.24 -0.04 0.05 0.00 -0.76 0.00 0.00 57.45 56.93 3dfy n PHE 329 Cb -0.03 -2.68 0.06 0.00 0.35 0.00 0.00 39.48 37.19 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 5.73 2.05 -2.42 -4.13 1.74 -1.26 -5.05 116.66 113.32 3dfy n ARG 330 Ca 0.20 -1.94 -0.27 0.00 -0.77 0.00 0.00 57.85 55.06 3dfy n ARG 330 Cb 0.33 -1.20 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.82 1.59 -0.75 -0.13 0.00 -1.25 -4.18 107.32 100.78 3dfy s GLY 331 Ca 0.14 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.24 3dfy s GLY 331 CO 0.01 -0.38 1.52 0.28 0.00 0.00 0.00 173.10 174.53 3dfy n LYS 332 N -2.53 3.82 -3.88 2.90 5.02 -1.26 -4.96 118.16 117.26 3dfy n LYS 332 Ca 0.04 -4.39 -0.08 0.00 -2.02 0.00 0.00 58.31 51.86 3dfy n LYS 332 Cb 0.57 -2.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.24 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 -3.90 0.01 -0.25 2.13 -0.12 -1.26 -4.76 117.98 109.82 3dfy s PHE 333 Ca 0.47 -0.49 -0.09 0.00 -0.05 0.00 0.00 56.93 56.76 3dfy s PHE 333 Cb 0.32 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 43.28 3dfy s PHE 333 CO -0.22 -1.26 0.14 0.42 -0.05 0.00 0.00 175.22 174.25 3dfy s ILE 334 N -3.60 4.98 -0.40 -4.49 1.01 0.78 -4.94 121.20 114.53 3dfy s ILE 334 Ca 0.15 0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 3dfy s ILE 334 Cb -0.05 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 39.10 3dfy s ILE 334 CO 0.09 0.31 0.33 -1.58 0.00 0.00 0.00 174.94 174.09 3dfy s GLN 335 N 1.46 3.07 -0.52 2.79 2.00 -1.26 -0.95 119.66 126.26 3dfy s GLN 335 Ca 0.06 -0.89 0.04 0.00 -2.00 0.00 0.00 55.36 52.57 3dfy s GLN 335 Cb -0.15 -3.95 0.13 0.00 0.80 0.00 0.00 33.01 29.84 3dfy s GLN 335 CO 0.07 -0.74 0.27 0.34 -0.50 0.00 0.00 175.29 174.73 3dfy s ASP 336 N 1.72 4.21 1.35 6.67 2.15 0.49 -5.01 116.67 128.25 3dfy s ASP 336 Ca 0.07 -3.00 0.00 0.00 0.43 0.00 0.00 52.55 50.05 3dfy s ASP 336 Cb -0.18 -1.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 3dfy s ASP 336 CO 0.11 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 3dfy n GLY 337 N 3.11 2.70 0.00 2.66 0.00 -1.26 -1.27 105.19 111.14 3dfy n GLY 337 Ca 0.07 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 13.57 0.85 -3.99 1.61 -0.04 -1.26 -4.82 135.00 140.91 3dfy n PRO 338 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 3dfy n PRO 338 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.00 3.25 -0.03 0.54 0.52 -0.40 -0.36 118.95 120.48 3dfy s ARG 339 Ca 0.41 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 55.26 3dfy s ARG 339 Cb 0.19 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 3dfy s ARG 339 CO 0.31 0.65 -0.22 -1.64 0.02 0.00 0.00 175.30 174.43 3dfy s MET 340 N -1.92 1.88 0.07 3.54 -1.94 -0.05 -0.38 119.30 120.49 3dfy s MET 340 Ca 0.26 -0.78 -0.03 0.00 -1.71 0.00 0.00 55.69 53.44 3dfy s MET 340 Cb -0.12 -1.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 3dfy s MET 340 CO 0.18 0.43 0.03 0.50 -0.01 0.00 0.00 175.02 176.15 3dfy s ARG 341 N -0.41 0.72 0.38 2.03 3.52 -0.12 -1.55 118.95 123.51 3dfy s ARG 341 Ca 0.06 -1.21 -0.09 0.00 -0.13 0.00 0.00 55.73 54.36 3dfy s ARG 341 Cb -0.09 0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.48 3dfy s ARG 341 CO 0.00 -0.17 0.72 0.54 -0.81 0.00 0.00 175.30 175.58 3dfy s VAL 342 N -3.93 4.84 -2.49 7.11 0.11 -1.12 -0.16 120.40 124.77 3dfy s VAL 342 Ca 0.10 0.49 0.20 0.00 -2.93 0.00 0.00 61.98 59.83 3dfy s VAL 342 Cb 0.07 -3.73 0.16 0.00 -1.53 0.00 0.00 36.38 31.35 3dfy s VAL 342 CO -0.08 -0.47 1.13 1.17 -3.33 0.00 0.00 175.10 173.52