#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 3.46 -0.21 0.55 1.01 -0.22 -1.69 121.20 124.10 3dfy s ILE 4 Ca 0.00 1.23 0.05 0.00 0.00 0.00 0.00 60.65 61.93 3dfy s ILE 4 Cb 0.00 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 3dfy s ILE 4 CO 0.00 0.20 0.20 1.33 0.00 0.00 0.00 174.94 176.67 3dfy n VAL 5 N 2.46 0.00 -3.59 2.92 0.24 0.12 -0.37 118.33 120.11 3dfy n VAL 5 Ca 0.05 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 3dfy n VAL 5 Cb 0.44 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.57 -0.27 -0.04 -1.34 2.47 -1.12 -4.96 114.94 108.11 3dfy s ASN 6 Ca 0.01 0.24 -0.02 0.00 0.42 0.00 0.00 52.86 53.51 3dfy s ASN 6 Cb 0.04 0.23 0.03 0.00 -1.45 0.00 0.00 41.25 40.10 3dfy s ASN 6 CO 0.20 -0.29 0.08 -0.69 -3.72 0.00 0.00 177.10 172.68 3dfy s VAL 7 N -1.45 -0.11 0.01 -5.21 1.01 -1.26 -0.77 120.40 112.62 3dfy s VAL 7 Ca 0.03 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.36 3dfy s VAL 7 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 3dfy s VAL 7 CO -0.02 0.13 -0.13 -1.59 0.00 0.00 0.00 175.10 173.49 3dfy s LYS 8 N 1.69 0.98 -0.02 2.72 -2.85 -0.51 -4.69 119.74 117.05 3dfy s LYS 8 Ca -0.02 -0.57 0.02 0.00 -1.00 0.00 0.00 55.97 54.40 3dfy s LYS 8 Cb -0.12 -0.96 -0.03 0.00 -2.06 0.00 0.00 37.83 34.65 3dfy s LYS 8 CO -0.04 0.25 -0.06 -0.51 0.10 0.00 0.00 175.35 175.09 3dfy s LEU 9 N -0.64 3.21 -0.10 2.77 1.02 -1.26 -1.28 118.68 122.40 3dfy s LEU 9 Ca 0.03 -0.08 -0.07 0.00 0.02 0.00 0.00 54.13 54.03 3dfy s LEU 9 Cb -0.06 -1.79 0.03 0.00 0.02 0.00 0.00 46.19 44.39 3dfy s LEU 9 CO 0.00 0.31 0.25 -0.94 0.02 0.00 0.00 176.35 175.99 3dfy s SER 10 N -1.20 -0.27 0.25 2.29 1.04 -0.56 -4.97 113.70 110.28 3dfy s SER 10 Ca 0.16 0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.81 3dfy s SER 10 Cb -0.11 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.38 3dfy s SER 10 CO 0.05 -0.12 1.27 -0.22 0.98 0.00 0.00 173.24 175.20 3dfy s LEU 11 N 0.64 4.44 -0.07 2.42 2.96 -1.26 -0.99 118.68 126.83 3dfy s LEU 11 Ca -0.04 2.46 -0.01 0.00 -0.22 0.00 0.00 54.13 56.32 3dfy s LEU 11 Cb -0.06 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.04 3dfy s LEU 11 CO -0.04 -0.46 -0.01 -0.54 -1.32 0.00 0.00 176.35 173.99 3dfy s LYS 12 N -0.84 0.66 -0.13 1.98 -0.14 0.10 -4.90 119.74 116.48 3dfy s LYS 12 Ca 0.52 0.05 -0.06 0.00 -1.36 0.00 0.00 55.97 55.13 3dfy s LYS 12 Cb -0.37 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.80 3dfy s LYS 12 CO 0.43 -0.25 0.08 1.03 -0.76 0.00 0.00 175.35 175.88 3dfy s ARG 13 N 1.72 3.46 -0.07 1.68 0.52 -1.26 -0.92 118.95 124.08 3dfy s ARG 13 Ca 0.01 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 3dfy s ARG 13 Cb -0.13 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.27 3dfy s ARG 13 CO -0.04 0.62 -0.10 0.71 0.02 0.00 0.00 175.30 176.51 3dfy s TYR 14 N -0.61 1.36 -0.06 -0.53 2.02 -0.16 -4.98 117.35 114.39 3dfy s TYR 14 Ca 0.12 -0.54 -0.25 0.00 -0.37 0.00 0.00 57.07 56.03 3dfy s TYR 14 Cb -0.12 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 3dfy s TYR 14 CO 0.02 -0.33 0.76 -2.00 -1.57 0.00 0.00 175.55 172.43 3dfy s GLU 15 N 0.98 4.45 0.84 -0.62 2.12 -1.26 0.32 118.70 125.53 3dfy s GLU 15 Ca -0.09 0.98 -0.12 0.00 0.36 0.00 0.00 54.97 56.11 3dfy s GLU 15 Cb -0.15 -3.46 0.09 0.00 0.26 0.00 0.00 34.13 30.88 3dfy s GLU 15 CO 0.00 0.01 1.12 0.71 -0.54 0.00 0.00 175.26 176.56 3dfy s TYR 16 N 0.95 2.74 -0.17 5.30 1.51 -1.26 -1.83 117.35 124.59 3dfy s TYR 16 Ca 0.40 1.00 -0.21 0.00 -1.01 0.00 0.00 57.07 57.25 3dfy s TYR 16 Cb -0.18 -3.25 -0.22 0.00 -0.11 0.00 0.00 41.96 38.19 3dfy s TYR 16 CO 0.19 -1.98 0.40 1.49 -1.11 0.00 0.00 175.55 174.54 3dfy h GLU 17 N -1.23 0.07 -3.89 -0.62 4.22 -1.77 -3.46 114.58 107.90 3dfy h GLU 17 Ca -0.48 -0.11 -0.17 0.00 0.08 0.00 0.00 59.36 58.68 3dfy h GLU 17 Cb 1.30 0.04 -0.21 0.00 0.50 0.00 0.00 28.75 30.38 3dfy h GLU 17 CO 0.61 1.05 -0.66 0.15 -2.18 0.00 0.00 179.01 177.98 3dfy s LYS 18 N -2.37 0.34 -0.48 1.92 -0.14 -1.26 -5.17 119.74 112.57 3dfy s LYS 18 Ca -0.25 -0.56 -0.33 0.00 -1.36 0.00 0.00 55.97 53.47 3dfy s LYS 18 Cb 0.04 0.12 -0.13 0.00 -1.68 0.00 0.00 37.83 36.19 3dfy s LYS 18 CO 0.66 -0.06 2.31 -2.30 -0.76 0.00 0.00 175.35 175.19 3dfy n PRO 19 N 1.60 0.86 -2.13 -1.68 -0.02 -1.26 -5.14 135.00 127.24 3dfy n PRO 19 Ca -0.24 0.18 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 3dfy n PRO 19 Cb 0.55 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3dfy n PRO 19 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3dfy s GLU 29 N 7.00 4.08 -0.22 -0.52 2.12 -1.26 -5.07 118.70 124.83 3dfy s GLU 29 Ca 1.12 2.09 -0.01 0.00 0.36 0.00 0.00 54.97 58.54 3dfy s GLU 29 Cb -0.83 -2.82 0.02 0.00 0.26 0.00 0.00 34.13 30.77 3dfy s GLU 29 CO 0.46 -0.38 -0.12 0.45 -0.54 0.00 0.00 175.26 175.13 3dfy s SER 30 N -0.77 3.84 -0.44 -1.70 0.15 0.15 -4.91 113.70 110.01 3dfy s SER 30 Ca 0.55 -0.73 -0.13 0.00 0.70 0.00 0.00 55.95 56.34 3dfy s SER 30 Cb -0.37 -1.59 0.07 0.00 -1.71 0.00 0.00 66.02 62.42 3dfy s SER 30 CO 0.47 -0.06 0.33 -0.13 1.20 0.00 0.00 173.24 175.06 3dfy s ARG 31 N 1.32 2.83 0.37 5.44 0.52 -1.26 -0.98 118.95 127.19 3dfy s ARG 31 Ca 0.03 -1.36 0.08 0.00 -0.52 0.00 0.00 55.73 53.95 3dfy s ARG 31 Cb -0.15 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.31 3dfy s ARG 31 CO -0.08 -0.97 0.26 -0.80 0.02 0.00 0.00 175.30 173.73 3dfy s ASN 32 N 2.33 4.90 -0.26 0.23 0.01 -0.09 -4.61 114.94 117.46 3dfy s ASN 32 Ca 0.04 -0.75 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 3dfy s ASN 32 Cb -0.23 -0.70 0.06 0.00 0.41 0.00 0.00 41.25 40.79 3dfy s ASN 32 CO 0.05 -0.46 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.38 3dfy s VAL 33 N -2.44 2.16 0.17 1.60 1.01 0.08 -0.72 120.40 122.25 3dfy s VAL 33 Ca 0.42 -1.62 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 3dfy s VAL 33 Cb -0.02 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 3dfy s VAL 33 CO 0.25 -0.02 0.80 -0.70 0.00 0.00 0.00 175.10 175.43 3dfy s GLU 34 N 1.11 4.60 -0.16 2.72 2.12 -0.16 -0.04 118.70 128.89 3dfy s GLU 34 Ca -0.09 1.19 -0.00 0.00 0.36 0.00 0.00 54.97 56.43 3dfy s GLU 34 Cb -0.20 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 30.92 3dfy s GLU 34 CO -0.05 0.55 -0.14 0.08 -0.54 0.00 0.00 175.26 175.16 3dfy s VAL 35 N -1.07 2.80 -0.16 3.70 1.01 0.36 -1.49 120.40 125.54 3dfy s VAL 35 Ca 0.37 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3dfy s VAL 35 Cb -0.23 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3dfy s VAL 35 CO 0.27 0.51 -0.19 -0.70 0.00 0.00 0.00 175.10 174.98 3dfy s GLU 36 N 0.79 3.06 -0.18 2.72 2.12 -0.41 -1.25 118.70 125.56 3dfy s GLU 36 Ca -0.05 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.41 3dfy s GLU 36 Cb -0.15 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 3dfy s GLU 36 CO 0.00 -0.09 0.01 0.42 -0.54 0.00 0.00 175.26 175.06 3dfy s ILE 37 N 1.03 4.21 -0.18 -3.70 1.01 0.21 -1.43 121.20 122.34 3dfy s ILE 37 Ca -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3dfy s ILE 37 Cb -0.14 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 3dfy s ILE 37 CO -0.06 0.46 -0.01 -0.69 0.00 0.00 0.00 174.94 174.65 3dfy s VAL 38 N 0.55 4.03 0.10 2.92 1.01 0.05 -1.14 120.40 127.92 3dfy s VAL 38 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3dfy s VAL 38 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3dfy s VAL 38 CO 0.02 0.46 0.22 -0.76 0.00 0.00 0.00 175.10 175.04 3dfy s LEU 39 N 0.66 4.26 0.57 3.92 1.02 -0.50 0.11 118.68 128.71 3dfy s LEU 39 Ca -0.01 0.18 0.26 0.00 0.02 0.00 0.00 54.13 54.58 3dfy s LEU 39 Cb -0.14 -2.86 1.59 0.00 0.02 0.00 0.00 46.19 44.80 3dfy s LEU 39 CO 0.02 0.12 2.14 1.05 0.02 0.00 0.00 176.35 179.69 3dfy h GLU 40 N 2.67 0.00 0.00 1.70 4.11 -1.65 0.65 114.58 122.07 3dfy h GLU 40 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3dfy h GLU 40 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dfy h GLU 40 CO 0.71 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.66 3dfy n SER 41 N -4.03 0.68 0.00 3.06 3.41 -1.26 -4.86 113.62 110.61 3dfy n SER 41 Ca 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3dfy n SER 41 Cb 0.25 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.25 0.44 3.77 5.00 0.00 0.22 -5.07 105.19 109.80 3dfy n GLY 42 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.05 2.99 -0.10 1.61 1.01 -1.26 -4.81 120.40 117.80 3dfy s VAL 43 Ca 0.00 0.92 0.02 0.00 0.00 0.00 0.00 61.98 62.93 3dfy s VAL 43 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3dfy s VAL 43 CO 0.00 0.16 -0.16 -0.54 0.00 0.00 0.00 175.10 174.56 3dfy s LYS 44 N -1.98 2.31 -0.05 2.72 1.02 -1.26 -1.41 119.74 121.09 3dfy s LYS 44 Ca 0.52 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.89 3dfy s LYS 44 Cb -0.35 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 3dfy s LYS 44 CO 0.45 -0.01 0.04 0.20 -0.92 0.00 0.00 175.35 175.11 3dfy s GLY 45 N 0.83 1.93 0.05 -3.33 0.00 -0.29 -4.70 107.32 101.82 3dfy s GLY 45 Ca -0.10 -0.83 0.08 0.00 0.00 0.00 0.00 44.72 43.87 3dfy s GLY 45 CO 0.01 -0.64 -0.21 -0.19 0.00 0.00 0.00 173.10 172.07 3dfy s TYR 46 N -1.02 1.86 0.19 1.90 2.02 -1.26 -0.62 117.35 120.41 3dfy s TYR 46 Ca 0.17 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.40 3dfy s TYR 46 Cb -0.12 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 3dfy s TYR 46 CO 0.07 0.12 0.30 0.20 -1.57 0.00 0.00 175.55 174.67 3dfy s GLY 47 N -1.31 0.63 -0.02 0.71 0.00 -0.38 -3.90 107.32 103.04 3dfy s GLY 47 Ca 0.08 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.80 3dfy s GLY 47 CO 0.02 -0.88 -0.01 1.85 0.00 0.00 0.00 173.10 174.09 3dfy s GLU 48 N -4.01 0.25 -0.33 2.90 2.12 -1.26 -0.49 118.70 117.89 3dfy s GLU 48 Ca 0.21 0.03 -0.09 0.00 0.36 0.00 0.00 54.97 55.48 3dfy s GLU 48 Cb 0.03 -0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.05 3dfy s GLU 48 CO 0.04 -0.08 0.15 0.00 -0.54 0.00 0.00 175.26 174.83 3dfy s ALA 49 N 0.70 3.22 -0.67 6.30 0.00 0.94 -4.37 121.76 127.87 3dfy s ALA 49 Ca -0.07 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.27 3dfy s ALA 49 Cb -0.10 -2.41 0.18 0.00 0.00 0.00 0.00 23.12 20.79 3dfy s ALA 49 CO -0.01 -1.11 0.54 0.45 0.00 0.00 0.00 175.76 175.63 3dfy s SER 50 N 1.56 5.84 0.70 0.00 0.15 -1.26 -0.74 113.70 119.94 3dfy s SER 50 Ca 0.03 -2.66 -0.14 0.00 0.70 0.00 0.00 55.95 53.87 3dfy s SER 50 Cb -0.18 -2.00 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 3dfy s SER 50 CO 0.05 -0.49 1.13 -2.16 1.20 0.00 0.00 173.24 172.98 3dfy s PRO 51 N 0.22 2.50 -0.12 5.44 0.04 -1.26 -4.64 135.00 137.18 3dfy s PRO 51 Ca 0.16 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 3dfy s PRO 51 Cb -0.18 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3dfy s PRO 51 CO -0.05 -1.50 0.02 0.45 0.04 0.00 0.00 177.00 175.96 3dfy s SER 52 N -2.52 2.09 0.03 6.66 0.15 -1.26 -4.89 113.70 113.96 3dfy s SER 52 Ca 0.68 -0.37 -0.20 0.00 0.70 0.00 0.00 55.95 56.76 3dfy s SER 52 Cb -0.22 -0.49 -0.15 0.00 -1.71 0.00 0.00 66.02 63.45 3dfy s SER 52 CO 0.44 -0.24 1.30 0.15 1.20 0.00 0.00 173.24 176.10 3dfy h PHE 53 N 8.30 0.45 -0.15 3.44 3.57 -1.85 -0.83 116.94 129.87 3dfy h PHE 53 Ca -0.18 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 3dfy h PHE 53 Cb 1.12 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3dfy h PHE 53 CO 0.39 0.81 0.07 -0.09 -2.23 0.00 0.00 178.31 177.26 3dfy h ARG 54 N -0.04 0.23 0.00 1.11 2.43 -1.94 0.85 114.38 117.03 3dfy h ARG 54 Ca 0.01 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3dfy h ARG 54 Cb 0.76 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3dfy h ARG 54 CO 0.05 0.29 -0.38 0.28 -1.51 0.00 0.00 179.97 178.69 3dfy h VAL 55 N 0.11 1.10 -0.01 0.20 2.07 -1.98 -3.40 116.25 114.34 3dfy h VAL 55 Ca 0.05 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.62 3dfy h VAL 55 Cb 0.14 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3dfy h VAL 55 CO -0.01 0.37 -0.69 0.59 0.02 0.00 0.00 177.57 177.86 3dfy n ASN 56 N -4.59 1.37 -0.14 0.57 3.02 -0.42 -4.96 115.26 110.10 3dfy n ASN 56 Ca -0.14 -1.13 -0.02 0.00 -0.03 0.00 0.00 54.58 53.26 3dfy n ASN 56 Cb 0.43 0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 40.25 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 1.46 0.49 3.89 7.41 0.00 0.29 -4.94 105.19 113.78 3dfy n GLY 57 Ca 0.07 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.18 3.60 -0.05 1.61 2.02 -0.84 -4.85 118.70 119.02 3dfy s GLU 58 Ca 0.00 0.48 -0.01 0.00 0.02 0.00 0.00 54.97 55.46 3dfy s GLU 58 Cb 0.00 -2.25 0.03 0.00 0.10 0.00 0.00 34.13 32.01 3dfy s GLU 58 CO 0.00 -0.34 0.02 1.03 0.02 0.00 0.00 175.26 175.99 3dfy s ARG 59 N -4.81 0.31 0.47 1.61 0.52 -1.26 -2.87 118.95 112.91 3dfy s ARG 59 Ca 0.51 0.18 0.30 0.00 -0.52 0.00 0.00 55.73 56.20 3dfy s ARG 59 Cb -0.11 -0.68 1.38 0.00 0.52 0.00 0.00 34.95 36.06 3dfy s ARG 59 CO 0.47 -0.26 1.74 -0.24 0.02 0.00 0.00 175.30 177.03 3dfy h VAL 60 N 6.33 0.37 -0.14 3.52 3.04 -1.93 0.38 116.25 127.81 3dfy h VAL 60 Ca -0.24 -0.06 -0.11 0.00 -1.01 0.00 0.00 66.70 65.28 3dfy h VAL 60 Cb 1.13 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3dfy h VAL 60 CO 0.29 0.03 -0.40 -0.33 -1.01 0.00 0.00 177.57 176.15 3dfy h GLU 61 N 0.16 0.32 -0.25 4.17 3.07 -1.98 -2.79 114.58 117.28 3dfy h GLU 61 Ca 0.65 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.36 59.21 3dfy h GLU 61 Cb 2.15 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.05 3dfy h GLU 61 CO -0.19 0.67 -0.47 0.00 -1.40 0.00 0.00 179.01 177.62 3dfy h ALA 62 N 1.32 0.71 -0.16 3.43 0.00 -0.68 -2.57 119.26 121.31 3dfy h ALA 62 Ca 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dfy h ALA 62 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3dfy h ALA 62 CO 0.07 0.67 0.09 -0.07 0.00 0.00 0.00 179.25 180.01 3dfy h LEU 63 N 0.52 0.20 -1.10 0.00 4.07 -1.26 -2.89 115.31 114.85 3dfy h LEU 63 Ca 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 3dfy h LEU 63 Cb 1.01 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.66 3dfy h LEU 63 CO 0.09 0.22 0.46 -0.07 -1.08 0.00 0.00 178.44 178.07 3dfy h LEU 64 N 0.17 0.96 -2.70 1.67 3.38 -1.47 -2.76 115.31 114.55 3dfy h LEU 64 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dfy h LEU 64 Cb 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3dfy h LEU 64 CO -0.01 0.75 -0.01 0.00 0.09 0.00 0.00 178.44 179.26 3dfy h ALA 65 N 1.41 1.14 -0.53 1.53 0.00 -1.23 -2.70 119.26 118.87 3dfy h ALA 65 Ca 0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3dfy h ALA 65 Cb -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3dfy h ALA 65 CO -0.05 0.01 0.10 0.44 0.00 0.00 0.00 179.25 179.75 3dfy n ILE 66 N -3.29 2.69 -0.08 0.00 -5.35 -1.04 -4.65 119.36 107.63 3dfy n ILE 66 Ca -0.03 -1.75 -0.06 0.00 -0.27 0.00 0.00 62.75 60.64 3dfy n ILE 66 Cb 0.10 -0.31 -0.00 0.00 -1.74 0.00 0.00 39.64 37.69 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 2.61 -0.08 -0.68 6.28 4.81 -1.61 -1.39 114.58 124.51 3dfy h GLU 67 Ca 0.12 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3dfy h GLU 67 Cb 1.94 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.31 3dfy h GLU 67 CO 0.50 -0.06 0.45 -0.97 -0.73 0.00 0.00 179.01 178.21 3dfy h ASN 68 N -0.09 0.78 -0.46 1.04 -0.73 -1.87 -0.65 115.58 113.60 3dfy h ASN 68 Ca 0.16 -0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.24 3dfy h ASN 68 Cb 0.34 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 3dfy h ASN 68 CO -0.38 0.56 -0.00 0.00 -0.37 0.00 0.00 177.43 177.24 3dfy h ALA 69 N 1.58 0.62 -0.36 1.57 0.00 -1.70 -1.33 119.26 119.64 3dfy h ALA 69 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 69 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3dfy h ALA 69 CO -0.06 0.41 0.20 0.28 0.00 0.00 0.00 179.25 180.08 3dfy h VAL 70 N 0.66 1.14 -0.42 0.00 2.07 -0.50 -1.78 116.25 117.41 3dfy h VAL 70 Ca 0.13 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3dfy h VAL 70 Cb 0.50 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3dfy h VAL 70 CO 0.02 0.14 0.25 -0.09 0.02 0.00 0.00 177.57 177.92 3dfy h ARG 71 N 0.45 0.58 0.00 1.57 2.43 -1.01 -2.42 114.38 115.98 3dfy h ARG 71 Ca 0.13 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3dfy h ARG 71 Cb 0.06 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3dfy h ARG 71 CO -0.02 0.44 -0.20 1.49 -1.51 0.00 0.00 179.97 180.17 3dfy h GLU 72 N 0.56 0.00 -0.33 0.20 4.22 -1.07 -0.49 114.58 117.68 3dfy h GLU 72 Ca 0.15 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.48 3dfy h GLU 72 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3dfy h GLU 72 CO -0.03 0.20 -0.27 0.52 -2.18 0.00 0.00 179.01 177.24 3dfy h MET 73 N 0.00 0.67 0.00 1.92 2.86 -0.81 -3.37 114.93 116.20 3dfy h MET 73 Ca -0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3dfy h MET 73 Cb 0.43 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3dfy h MET 73 CO 0.03 0.87 0.00 0.44 1.06 0.00 0.00 176.91 179.31 3dfy n ILE 74 N -4.09 0.00 -1.83 -1.22 -5.35 -1.13 -5.02 119.36 100.72 3dfy n ILE 74 Ca -0.00 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 3dfy n ILE 74 Cb 0.45 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.46 3dfy n ILE 74 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3dfy s THR 75 N -0.19 2.20 0.00 7.28 2.01 -0.20 -2.12 115.64 124.63 3dfy s THR 75 Ca 0.00 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3dfy s THR 75 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3dfy s THR 75 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 3dfy n GLY 76 N 2.42 1.46 3.80 4.40 0.00 0.50 -4.96 105.19 112.81 3dfy n GLY 76 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3dfy n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 77 N -2.35 4.57 0.05 -0.61 1.01 -0.90 -4.63 121.20 118.35 3dfy s ILE 77 Ca 0.00 1.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 3dfy s ILE 77 Cb 0.00 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 3dfy s ILE 77 CO 0.00 0.49 0.86 -0.62 0.00 0.00 0.00 174.94 175.66 3dfy s ASP 78 N -1.22 7.32 0.45 3.58 -1.08 -1.26 -1.05 116.67 123.41 3dfy s ASP 78 Ca 0.34 1.58 0.31 0.00 -0.52 0.00 0.00 52.55 54.26 3dfy s ASP 78 Cb -0.20 -2.52 1.57 0.00 -1.46 0.00 0.00 42.92 40.31 3dfy s ASP 78 CO 0.22 -0.06 1.94 -0.37 0.52 0.00 0.00 175.17 177.43 3dfy h VAL 79 N 4.22 0.00 0.00 1.11 -1.51 -1.93 0.35 116.25 118.49 3dfy h VAL 79 Ca -0.43 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 3dfy h VAL 79 Cb 1.21 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3dfy h VAL 79 CO 0.72 0.00 0.00 0.08 -1.23 0.00 0.00 177.57 177.14 3dfy h ARG 80 N 0.00 0.00 -1.38 5.19 0.11 -1.95 -1.41 114.38 114.95 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 0.13 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 30.90 3dfy h ARG 80 CO 0.00 0.00 0.54 0.09 0.10 0.00 0.00 179.97 180.70 3dfy n ASN 81 N -2.45 6.96 0.16 0.08 3.02 0.11 -4.79 115.26 118.35 3dfy n ASN 81 Ca 0.02 -3.79 0.17 0.00 -0.03 0.00 0.00 54.58 50.94 3dfy n ASN 81 Cb 0.24 -0.87 0.77 0.00 -0.61 0.00 0.00 39.78 39.31 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 2.44 0.00 -0.05 3.10 -0.00 -1.39 -0.50 116.97 120.56 3dfy h TYR 82 Ca 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.22 3dfy h TYR 82 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.36 3dfy h TYR 82 CO 1.20 0.00 -0.16 0.00 -0.00 0.00 0.00 178.16 179.20 3dfy h ALA 83 N 1.79 1.63 -0.41 0.10 0.00 -1.87 0.48 119.26 120.97 3dfy h ALA 83 Ca 0.12 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3dfy h ALA 83 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dfy h ALA 83 CO -0.00 0.27 -0.15 0.00 0.00 0.00 0.00 179.25 179.37 3dfy h ARG 84 N 0.08 0.83 -0.39 0.00 3.08 -1.48 -1.31 114.38 115.19 3dfy h ARG 84 Ca 0.02 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 3dfy h ARG 84 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3dfy h ARG 84 CO 0.02 0.97 -0.08 0.82 -1.07 0.00 0.00 179.97 180.64 3dfy h ILE 85 N 0.65 1.24 -0.33 2.04 2.04 -1.31 -2.08 117.51 119.76 3dfy h ILE 85 Ca 0.10 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3dfy h ILE 85 Cb 0.70 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3dfy h ILE 85 CO 0.05 0.35 0.01 -0.26 0.00 0.00 0.00 178.15 178.30 3dfy h PHE 86 N 0.61 0.62 -0.11 1.37 -1.00 -0.68 -1.21 116.94 116.54 3dfy h PHE 86 Ca 0.11 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 3dfy h PHE 86 Cb 0.50 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 3dfy h PHE 86 CO 0.02 0.68 0.07 1.49 -1.61 0.00 0.00 178.31 178.96 3dfy h GLU 87 N 0.38 0.15 -0.22 1.51 4.81 -1.04 -1.66 114.58 118.50 3dfy h GLU 87 Ca 0.09 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3dfy h GLU 87 Cb 0.43 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3dfy h GLU 87 CO 0.02 0.14 0.13 0.82 -0.73 0.00 0.00 179.01 179.38 3dfy h ILE 88 N 0.12 1.03 0.00 2.32 2.04 -1.34 -2.48 117.51 119.20 3dfy h ILE 88 Ca 0.04 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3dfy h ILE 88 Cb 0.03 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3dfy h ILE 88 CO -0.01 0.05 0.00 0.35 0.00 0.00 0.00 178.15 178.54 3dfy n THR 89 N -4.96 0.88 0.31 -0.27 -2.24 -0.46 -1.74 114.28 105.79 3dfy n THR 89 Ca -0.03 0.31 0.17 0.00 -2.27 0.00 0.00 64.05 62.23 3dfy n THR 89 Cb 0.04 -1.24 0.73 0.00 -2.10 0.00 0.00 70.33 67.75 3dfy n THR 89 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dfy h ASP 90 N 0.00 0.00 0.76 3.42 3.32 -0.81 -1.46 116.42 121.66 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 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3dfy h ASP 90 CO 0.00 0.00 0.00 0.03 -1.72 0.00 0.00 179.24 177.55 3dfy h ARG 91 N 0.00 0.00 -1.80 3.56 3.08 -1.45 -3.05 114.38 114.72 3dfy h ARG 91 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3dfy h ARG 91 Cb 0.36 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.30 3dfy h ARG 91 CO 0.00 0.00 0.22 1.28 -1.07 0.00 0.00 179.97 180.40 3dfy n LEU 92 N -2.46 6.09 0.20 3.04 4.77 -0.55 -4.48 117.00 123.61 3dfy n LEU 92 Ca 0.01 -3.33 0.14 0.00 -0.03 0.00 0.00 56.01 52.81 3dfy n LEU 92 Cb 0.24 -1.17 0.63 0.00 -2.33 0.00 0.00 43.42 40.79 3dfy n LEU 92 CO 0.21 1.39 0.92 2.19 -1.33 0.00 0.00 177.39 180.78 3dfy h PHE 93 N 2.02 0.00 -0.01 -1.77 -5.15 -1.77 0.33 116.94 110.59 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 0.97 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.14 3dfy h PHE 93 CO 1.03 0.00 -0.09 0.41 -2.00 0.00 0.00 178.31 177.65 3dfy n GLY 94 N -0.31 -0.56 2.38 6.09 0.00 -1.26 -3.97 105.19 107.56 3dfy n GLY 94 Ca 0.01 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 3dfy n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dfy n PHE 95 N -0.51 0.79 -0.33 1.61 3.72 0.10 -4.79 117.46 118.04 3dfy n PHE 95 Ca 0.17 -3.51 0.13 0.00 -0.05 0.00 0.00 57.45 54.19 3dfy n PHE 95 Cb 0.30 -0.40 0.31 0.00 -0.94 0.00 0.00 39.48 38.75 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 2.99 0.62 -0.93 -1.08 0.13 -1.67 -0.76 132.00 131.30 3dfy h PRO 96 Ca 0.05 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 3dfy h PRO 96 Cb 1.00 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 3dfy h PRO 96 CO 0.53 0.41 0.55 0.66 -0.23 0.00 0.00 178.00 179.92 3dfy h SER 97 N 0.64 1.13 -0.30 1.44 4.64 -1.82 0.39 113.55 119.67 3dfy h SER 97 Ca 0.57 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.63 3dfy h SER 97 Cb 0.95 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3dfy h SER 97 CO -0.42 0.88 -0.53 0.25 -0.87 0.00 0.00 176.83 176.14 3dfy h LEU 98 N 1.29 0.99 -0.49 5.97 5.85 -1.60 -1.66 115.31 125.66 3dfy h LEU 98 Ca 0.33 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3dfy h LEU 98 Cb -0.03 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 3dfy h LEU 98 CO -0.06 1.32 0.13 0.50 -0.34 0.00 0.00 178.44 179.99 3dfy h LYS 99 N 0.69 0.27 0.04 1.25 3.64 -0.56 0.72 116.57 122.61 3dfy h LYS 99 Ca 0.02 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dfy h LYS 99 Cb 1.14 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3dfy h LYS 99 CO 0.12 0.18 -0.03 0.00 -2.27 0.00 0.00 179.45 177.45 3dfy h ALA 100 N 1.36 -0.06 -0.85 5.00 0.00 -0.71 -1.50 119.26 122.51 3dfy h ALA 100 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dfy h ALA 100 Cb 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3dfy h ALA 100 CO -0.29 -0.53 0.47 0.00 0.00 0.00 0.00 179.25 178.90 3dfy h ALA 101 N 0.90 1.08 -0.31 0.00 0.00 -0.71 -0.11 119.26 120.12 3dfy h ALA 101 Ca -0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3dfy h ALA 101 Cb 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3dfy h ALA 101 CO 0.00 0.58 -0.46 0.28 0.00 0.00 0.00 179.25 179.65 3dfy h VAL 102 N 1.17 1.28 -0.45 0.00 2.07 -0.80 -1.08 116.25 118.44 3dfy h VAL 102 Ca 0.30 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 3dfy h VAL 102 Cb 0.01 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3dfy h VAL 102 CO -0.05 0.54 -0.02 1.56 0.02 0.00 0.00 177.57 179.62 3dfy h GLN 103 N 0.64 0.81 -0.23 1.57 4.20 -1.05 -2.12 115.11 118.92 3dfy h GLN 103 Ca 0.03 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 3dfy h GLN 103 Cb 1.06 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3dfy h GLN 103 CO 0.11 0.88 -0.14 0.35 -0.67 0.00 0.00 178.83 179.35 3dfy h PHE 104 N 0.66 0.58 -0.64 2.96 3.57 -1.01 -2.71 116.94 120.36 3dfy h PHE 104 Ca 0.13 -0.15 0.11 0.00 3.53 0.00 0.00 57.97 61.59 3dfy h PHE 104 Cb 0.52 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 3dfy h PHE 104 CO 0.04 0.79 0.43 0.00 -2.23 0.00 0.00 178.31 177.34 3dfy h ALA 105 N 0.70 2.07 -0.35 2.41 0.00 -1.13 0.24 119.26 123.20 3dfy h ALA 105 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dfy h ALA 105 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3dfy h ALA 105 CO 0.04 -0.22 0.09 1.15 0.00 0.00 0.00 179.25 180.31 3dfy h THR 106 N 0.39 1.22 0.00 0.00 2.02 -1.15 -1.47 112.91 113.92 3dfy h THR 106 Ca 0.30 -0.74 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 3dfy h THR 106 Cb 0.65 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3dfy h THR 106 CO -0.08 0.25 -0.49 -0.07 0.37 0.00 0.00 175.52 175.50 3dfy h LEU 107 N 0.41 0.00 -0.61 2.58 3.38 -0.71 -0.95 115.31 119.40 3dfy h LEU 107 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3dfy h LEU 107 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3dfy h LEU 107 CO 0.00 0.49 0.05 -0.78 0.09 0.00 0.00 178.44 178.29 3dfy h ASP 108 N 0.00 1.02 -0.17 -0.43 3.58 -0.27 -0.37 116.42 119.78 3dfy h ASP 108 Ca -0.00 -0.28 -0.19 0.00 0.42 0.00 0.00 57.03 56.97 3dfy h ASP 108 Cb 0.90 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.68 3dfy h ASP 108 CO 0.06 1.05 -0.66 0.00 -2.88 0.00 0.00 179.24 176.81 3dfy h ALA 109 N 1.01 0.30 0.12 -0.78 0.00 -1.01 -3.02 119.26 115.87 3dfy h ALA 109 Ca 0.18 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3dfy h ALA 109 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 109 CO 0.02 0.59 -0.06 1.25 0.00 0.00 0.00 179.25 181.06 3dfy h LEU 110 N 0.45 -0.13 -1.92 0.00 5.85 -1.02 -2.11 115.31 116.42 3dfy h LEU 110 Ca -0.04 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3dfy h LEU 110 Cb 1.29 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3dfy h LEU 110 CO 0.14 -0.05 0.23 0.77 -0.34 0.00 0.00 178.44 179.19 3dfy h SER 111 N -0.20 0.09 -0.19 1.25 4.64 -1.14 -0.10 113.55 117.90 3dfy h SER 111 Ca -0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 3dfy h SER 111 Cb 0.16 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3dfy h SER 111 CO 0.03 0.05 -0.20 1.56 -0.87 0.00 0.00 176.83 177.40 3dfy h GLN 112 N 0.10 0.47 0.00 4.77 4.20 -1.33 0.40 115.11 123.72 3dfy h GLN 112 Ca 0.15 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3dfy h GLN 112 Cb 0.47 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3dfy h GLN 112 CO -0.02 0.83 -0.30 0.93 -0.67 0.00 0.00 178.83 179.61 3dfy h GLU 113 N 0.14 0.00 -0.17 1.46 5.08 -0.54 -1.81 114.58 118.74 3dfy h GLU 113 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3dfy h GLU 113 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3dfy h GLU 113 CO 0.05 0.30 0.00 1.28 -1.00 0.00 0.00 179.01 179.64 3dfy n LEU 114 N -4.07 1.53 -2.91 1.33 4.77 -0.18 -4.94 117.00 112.53 3dfy n LEU 114 Ca -0.02 -0.66 -0.21 0.00 -0.03 0.00 0.00 56.01 55.10 3dfy n LEU 114 Cb 0.36 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3dfy n LEU 114 CO 0.37 0.33 0.06 0.61 -1.33 0.00 0.00 177.39 177.43 3dfy n GLY 115 N 1.08 -0.42 0.00 -0.72 0.00 -0.65 -4.98 105.19 99.50 3dfy n GLY 115 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.51 0.00 -4.41 2.61 5.66 0.13 -5.02 114.28 108.74 3dfy n THR 116 Ca -0.08 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.69 3dfy n THR 116 Cb 0.60 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.04 1.49 0.18 1.09 -0.21 -1.26 -4.11 119.66 116.89 3dfy s GLN 117 Ca 0.00 -1.61 -0.13 0.00 0.02 0.00 0.00 55.36 53.65 3dfy s GLN 117 Cb 0.00 -1.56 0.17 0.00 1.00 0.00 0.00 33.01 32.62 3dfy s GLN 117 CO 0.00 0.30 1.75 0.28 -2.12 0.00 0.00 175.29 175.51 3dfy h VAL 118 N 2.72 0.84 -0.82 1.09 2.07 -1.92 -1.80 116.25 118.43 3dfy h VAL 118 Ca -0.41 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.10 3dfy h VAL 118 Cb 1.23 0.43 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 3dfy h VAL 118 CO 0.56 0.07 0.43 0.00 0.02 0.00 0.00 177.57 178.65 3dfy h TYR 120 N 0.65 0.61 0.00 0.00 0.05 -1.71 0.57 116.97 117.14 3dfy h TYR 120 Ca 0.43 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 59.03 3dfy h TYR 120 Cb 0.55 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3dfy h TYR 120 CO -0.09 0.76 -0.18 1.25 -1.05 0.00 0.00 178.16 178.85 3dfy h LEU 121 N 0.47 0.00 -2.41 3.88 5.85 -0.27 -1.91 115.31 120.92 3dfy h LEU 121 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3dfy h LEU 121 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3dfy h LEU 121 CO 0.06 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.51 3dfy n LEU 122 N -3.74 3.60 0.00 2.25 4.77 -0.40 -4.91 117.00 118.57 3dfy n LEU 122 Ca -0.02 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 3dfy n LEU 122 Cb 0.29 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3dfy n LEU 122 CO 0.32 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3dfy n GLY 123 N 1.20 1.55 4.04 -0.72 0.00 -0.72 -3.66 105.19 106.88 3dfy n GLY 123 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.06 -0.46 0.26 -0.02 0.00 0.13 -4.87 105.19 100.16 3dfy n GLY 124 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.84 0.88 -5.78 1.61 1.63 -0.98 -3.45 116.57 108.65 3dfy h LYS 125 Ca -0.59 -0.15 -0.49 0.00 -0.85 0.00 0.00 60.65 58.58 3dfy h LYS 125 Cb 1.38 -0.15 -0.20 0.00 -0.60 0.00 0.00 32.23 32.66 3dfy h LYS 125 CO 0.71 0.73 -0.79 1.03 -3.45 0.00 0.00 179.45 177.69 3dfy s ARG 126 N -5.63 1.10 0.00 1.90 0.52 -0.33 -4.97 118.95 111.55 3dfy s ARG 126 Ca -0.13 -1.23 0.22 0.00 -0.52 0.00 0.00 55.73 54.07 3dfy s ARG 126 Cb 0.13 -1.16 -0.16 0.00 0.52 0.00 0.00 34.95 34.28 3dfy s ARG 126 CO 0.79 0.25 0.88 -0.25 0.02 0.00 0.00 175.30 176.98 3dfy n ASP 127 N 0.73 0.72 -3.69 0.23 8.00 -1.26 -4.62 116.55 116.66 3dfy n ASP 127 Ca -0.17 -0.64 -0.14 0.00 0.71 0.00 0.00 54.79 54.55 3dfy n ASP 127 Cb 0.56 1.10 -0.08 0.00 -0.02 0.00 0.00 41.12 42.68 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 0.71 0.13 -1.24 2.12 -1.26 -3.95 118.70 112.08 3dfy s GLU 128 Ca 0.05 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.69 3dfy s GLU 128 Cb 0.15 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.83 3dfy s GLU 128 CO 0.86 -0.16 -0.06 0.96 -0.54 0.00 0.00 175.26 176.31 3dfy s ILE 129 N -0.59 0.83 -0.06 -3.70 -4.36 -0.50 -4.99 121.20 107.83 3dfy s ILE 129 Ca -0.07 -1.98 0.04 0.00 -0.26 0.00 0.00 60.65 58.37 3dfy s ILE 129 Cb -0.03 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.85 3dfy s ILE 129 CO 0.04 -0.75 -0.17 -0.70 0.24 0.00 0.00 174.94 173.60 3dfy s GLU 130 N -3.83 1.99 0.22 0.37 2.12 -1.26 -0.92 118.70 117.40 3dfy s GLU 130 Ca 0.16 -0.59 0.06 0.00 0.36 0.00 0.00 54.97 54.96 3dfy s GLU 130 Cb 0.05 -1.64 -0.04 0.00 0.26 0.00 0.00 34.13 32.76 3dfy s GLU 130 CO -0.01 0.15 0.17 -0.08 -0.54 0.00 0.00 175.26 174.95 3dfy s THR 131 N 0.32 4.45 0.46 -1.70 -1.32 0.06 -3.83 115.64 114.08 3dfy s THR 131 Ca -0.11 -1.28 0.03 0.00 -1.21 0.00 0.00 61.69 59.12 3dfy s THR 131 Cb -0.14 -3.35 0.09 0.00 -1.51 0.00 0.00 72.50 67.58 3dfy s THR 131 CO 0.04 -0.25 0.63 -0.90 -2.21 0.00 0.00 174.62 171.93 3dfy n ASP 132 N -0.84 1.16 -3.97 8.08 5.68 -0.50 -4.74 116.55 121.43 3dfy n ASP 132 Ca -0.08 -1.91 -0.13 0.00 -0.50 0.00 0.00 54.79 52.17 3dfy n ASP 132 Cb 0.57 -0.38 -0.13 0.00 -1.14 0.00 0.00 41.12 40.04 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 -4.07 0.35 0.01 0.11 2.20 -1.10 -4.49 119.74 112.74 3dfy s LYS 133 Ca 0.44 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.52 3dfy s LYS 133 Cb -0.03 -0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 36.03 3dfy s LYS 133 CO 0.29 0.04 0.41 0.99 -0.36 0.00 0.00 175.35 176.72 3dfy s THR 134 N -0.70 5.04 -0.39 3.43 2.01 -1.26 -1.58 115.64 122.19 3dfy s THR 134 Ca -0.05 0.78 -0.08 0.00 0.31 0.00 0.00 61.69 62.65 3dfy s THR 134 Cb -0.05 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.82 3dfy s THR 134 CO -0.00 0.53 0.21 -0.69 -0.69 0.00 0.00 174.62 173.98 3dfy s VAL 135 N -1.13 4.07 1.10 3.82 1.01 0.40 -4.96 120.40 124.72 3dfy s VAL 135 Ca 0.25 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 3dfy s VAL 135 Cb -0.16 -3.45 0.24 0.00 0.00 0.00 0.00 36.38 33.01 3dfy s VAL 135 CO 0.14 -0.42 1.10 -0.83 0.00 0.00 0.00 175.10 175.10 3dfy s GLY 136 N 1.87 1.57 0.05 4.51 0.00 -1.26 -1.98 107.32 112.08 3dfy s GLY 136 Ca 0.02 -0.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.78 3dfy s GLY 136 CO 0.02 0.09 1.08 -0.42 0.00 0.00 0.00 173.10 173.87 3dfy s ILE 137 N -2.99 4.42 0.00 0.90 1.01 -1.26 -4.76 121.20 118.53 3dfy s ILE 137 Ca 0.68 1.78 0.00 0.00 0.00 0.00 0.00 60.65 63.11 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 0.57 0.16 0.00 -0.67 0.00 0.00 0.00 174.94 175.00 3dfy n ASP 138 N 3.72 0.00 -4.76 3.58 -0.08 -1.26 -5.08 116.55 112.67 3dfy n ASP 138 Ca 0.07 -0.60 -0.36 0.00 -1.51 0.00 0.00 54.79 52.38 3dfy n ASP 138 Cb 0.49 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.96 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 -2.73 2.89 0.57 5.18 -4.23 -1.26 -4.74 115.64 111.32 3dfy s THR 139 Ca 0.00 0.57 0.28 0.00 -1.18 0.00 0.00 61.69 61.36 3dfy s THR 139 Cb 0.00 -3.24 0.38 0.00 1.34 0.00 0.00 72.50 70.98 3dfy s THR 139 CO 0.00 -0.10 1.98 0.58 -0.54 0.00 0.00 174.62 176.54 3dfy h VAL 140 N 1.17 0.51 -0.13 2.29 2.07 -1.98 0.36 116.25 120.54 3dfy h VAL 140 Ca -0.50 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3dfy h VAL 140 Cb 1.28 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3dfy h VAL 140 CO 0.57 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.82 3dfy h GLU 141 N 0.00 0.40 0.00 1.57 4.81 -2.00 -1.93 114.58 117.43 3dfy h GLU 141 Ca 0.20 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3dfy h GLU 141 Cb 0.97 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3dfy h GLU 141 CO -0.00 0.86 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.72 3dfy h ASN 142 N -0.01 0.00 0.86 1.04 2.35 -1.43 -2.27 115.58 116.12 3dfy h ASN 142 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3dfy h ASN 142 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3dfy h ASN 142 CO 0.06 0.51 -0.49 -0.09 -1.65 0.00 0.00 177.43 175.77 3dfy h ARG 143 N 0.00 -1.21 0.00 0.81 9.65 -0.30 0.83 114.38 124.16 3dfy h ARG 143 Ca -0.01 0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3dfy h ARG 143 Cb 1.13 0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 29.98 3dfy h ARG 143 CO 0.07 -0.80 -0.02 0.28 2.80 0.00 0.00 179.97 182.29 3dfy h VAL 144 N -1.25 0.85 0.32 0.20 2.07 -1.36 -1.71 116.25 115.37 3dfy h VAL 144 Ca -0.12 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3dfy h VAL 144 Cb 0.99 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3dfy h VAL 144 CO 0.14 0.02 -0.15 0.50 0.02 0.00 0.00 177.57 178.10 3dfy h LYS 145 N 0.00 -0.41 0.11 1.57 1.63 -0.77 -1.92 116.57 116.77 3dfy h LYS 145 Ca -0.00 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3dfy h LYS 145 Cb 0.04 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3dfy h LYS 145 CO 0.00 -0.12 -0.13 0.93 -3.45 0.00 0.00 179.45 176.68 3dfy h GLU 146 N -0.69 -0.27 -0.43 1.90 5.08 -0.38 -2.35 114.58 117.46 3dfy h GLU 146 Ca -0.04 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3dfy h GLU 146 Cb 0.48 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 3dfy h GLU 146 CO 0.07 -0.18 -0.13 0.00 -1.00 0.00 0.00 179.01 177.77 3dfy h ALA 147 N 0.59 0.24 -0.80 3.43 0.00 -1.36 0.26 119.26 121.61 3dfy h ALA 147 Ca 0.01 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3dfy h ALA 147 Cb 0.28 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3dfy h ALA 147 CO -0.05 -0.48 0.50 -0.22 0.00 0.00 0.00 179.25 179.00 3dfy h LYS 148 N -0.03 0.93 -0.12 0.00 3.64 -1.21 0.19 116.57 119.97 3dfy h LYS 148 Ca 0.21 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3dfy h LYS 148 Cb 0.35 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3dfy h LYS 148 CO -0.46 0.61 0.02 -0.22 -2.27 0.00 0.00 179.45 177.13 3dfy h LYS 149 N 0.96 0.19 -0.53 1.90 3.64 -0.67 -1.01 116.57 121.04 3dfy h LYS 149 Ca 0.33 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 3dfy h LYS 149 Cb 0.07 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3dfy h LYS 149 CO -0.14 0.39 0.27 0.82 -2.27 0.00 0.00 179.45 178.52 3dfy h ILE 150 N -0.03 0.95 -0.70 2.00 2.04 -0.03 -1.54 117.51 120.20 3dfy h ILE 150 Ca 0.04 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3dfy h ILE 150 Cb 0.29 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3dfy h ILE 150 CO 0.00 0.09 0.33 0.15 0.00 0.00 0.00 178.15 178.73 3dfy h PHE 151 N 0.52 0.99 -0.13 1.37 3.57 -0.51 -2.28 116.94 120.48 3dfy h PHE 151 Ca 0.24 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3dfy h PHE 151 Cb 0.15 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3dfy h PHE 151 CO -0.10 0.72 -0.24 1.49 -2.23 0.00 0.00 178.31 177.95 3dfy h GLU 152 N 0.99 0.22 0.00 1.11 4.81 -0.24 -2.11 114.58 119.36 3dfy h GLU 152 Ca 0.24 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3dfy h GLU 152 Cb 0.10 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3dfy h GLU 152 CO -0.03 0.45 0.00 0.39 -0.73 0.00 0.00 179.01 179.09 3dfy n GLU 153 N -4.18 0.53 0.00 1.92 1.02 -0.71 -4.86 120.64 114.36 3dfy n GLU 153 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3dfy n GLU 153 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.40 0.26 3.69 0.62 0.00 -0.79 -4.76 105.19 104.61 3dfy n GLY 154 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.02 2.38 -0.96 1.61 0.08 -1.17 -4.89 117.98 113.02 3dfy s PHE 155 Ca 0.00 0.27 0.11 0.00 0.12 0.00 0.00 56.93 57.42 3dfy s PHE 155 Cb 0.00 -4.00 0.31 0.00 -0.57 0.00 0.00 43.02 38.76 3dfy s PHE 155 CO 0.00 -4.03 1.25 0.54 -0.10 0.00 0.00 175.22 172.88 3dfy n ARG 156 N 5.58 2.82 -3.81 0.44 5.12 -1.26 -4.44 116.66 121.12 3dfy n ARG 156 Ca 0.16 -2.04 -0.25 0.00 -1.93 0.00 0.00 57.85 53.79 3dfy n ARG 156 Cb 0.40 -1.27 -0.17 0.00 -1.16 0.00 0.00 32.46 30.26 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 -1.00 0.63 -0.15 1.55 1.01 -1.26 -0.83 120.40 120.34 3dfy s VAL 157 Ca 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3dfy s VAL 157 Cb 0.12 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.69 3dfy s VAL 157 CO 0.16 0.18 -0.20 -0.63 0.00 0.00 0.00 175.10 174.60 3dfy s ILE 158 N 1.86 1.98 -0.18 2.22 1.01 -0.18 -2.71 121.20 125.19 3dfy s ILE 158 Ca 0.03 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 3dfy s ILE 158 Cb -0.14 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3dfy s ILE 158 CO -0.07 0.53 0.52 -0.75 0.00 0.00 0.00 174.94 175.18 3dfy s LYS 159 N 1.00 4.23 -0.23 2.79 2.20 -0.61 -1.78 119.74 127.34 3dfy s LYS 159 Ca -0.03 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 3dfy s LYS 159 Cb -0.15 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 3dfy s LYS 159 CO -0.05 -0.08 -0.03 0.42 -0.36 0.00 0.00 175.35 175.25 3dfy s ILE 160 N 1.40 3.46 0.16 5.43 1.01 0.17 -0.46 121.20 132.37 3dfy s ILE 160 Ca 0.25 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 3dfy s ILE 160 Cb -0.15 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.64 3dfy s ILE 160 CO 0.10 0.37 0.93 -0.54 0.00 0.00 0.00 174.94 175.80 3dfy s LYS 161 N 1.48 4.74 0.12 2.79 -0.14 -0.84 -1.83 119.74 126.06 3dfy s LYS 161 Ca 0.05 1.42 -0.01 0.00 -1.36 0.00 0.00 55.97 56.07 3dfy s LYS 161 Cb -0.15 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.68 3dfy s LYS 161 CO -0.02 0.37 0.18 1.33 -0.76 0.00 0.00 175.35 176.45 3dfy n VAL 162 N 2.16 0.00 0.00 3.17 0.24 -0.63 -4.55 118.33 118.72 3dfy n VAL 162 Ca -0.00 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3dfy n VAL 162 Cb 0.48 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.19 1.99 0.06 7.63 0.00 -1.26 -4.14 105.19 109.28 3dfy n GLY 163 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.02 0.65 -3.33 1.61 1.02 -1.26 -4.30 120.64 115.01 3dfy n GLU 164 Ca 0.00 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 3dfy n GLU 164 Cb 0.00 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 29.72 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 -5.02 0.68 0.15 1.62 3.84 -1.26 -5.06 114.94 109.89 3dfy s ASN 165 Ca -0.06 -0.87 -0.30 0.00 0.21 0.00 0.00 52.86 51.84 3dfy s ASN 165 Cb 0.11 0.91 -0.05 0.00 -0.55 0.00 0.00 41.25 41.67 3dfy s ASN 165 CO 0.86 -0.31 1.55 0.25 -2.79 0.00 0.00 177.10 176.66 3dfy h LEU 166 N 7.72 -1.82 -0.37 3.21 5.85 -1.98 0.33 115.31 128.24 3dfy h LEU 166 Ca -0.04 0.27 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3dfy h LEU 166 Cb 1.10 0.79 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 3dfy h LEU 166 CO 0.24 -0.34 0.05 0.50 -0.34 0.00 0.00 178.44 178.55 3dfy h LYS 167 N -0.25 0.16 0.00 1.25 3.64 -2.00 -0.52 116.57 118.86 3dfy h LYS 167 Ca 0.13 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3dfy h LYS 167 Cb 0.55 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3dfy h LYS 167 CO -0.72 0.10 -0.41 0.93 -2.27 0.00 0.00 179.45 177.08 3dfy h GLU 168 N 0.16 0.00 -0.29 1.90 5.08 -1.85 -2.34 114.58 117.24 3dfy h GLU 168 Ca 0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3dfy h GLU 168 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3dfy h GLU 168 CO -0.26 0.41 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.47 3dfy h ASP 169 N 0.00 0.74 -0.67 1.42 3.32 0.43 0.25 116.42 121.91 3dfy h ASP 169 Ca -0.00 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 3dfy h ASP 169 Cb 0.91 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3dfy h ASP 169 CO 0.05 1.04 0.25 0.40 -1.72 0.00 0.00 179.24 179.27 3dfy h ILE 170 N 0.44 1.24 -0.12 0.35 2.04 -1.00 -1.71 117.51 118.76 3dfy h ILE 170 Ca 0.05 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3dfy h ILE 170 Cb 0.82 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3dfy h ILE 170 CO 0.07 0.31 0.00 -0.08 0.00 0.00 0.00 178.15 178.45 3dfy h GLU 171 N 1.01 0.22 -0.72 2.37 4.81 -1.22 -2.35 114.58 118.68 3dfy h GLU 171 Ca 0.23 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 3dfy h GLU 171 Cb 0.23 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 3dfy h GLU 171 CO -0.02 0.45 0.40 0.00 -0.73 0.00 0.00 179.01 179.11 3dfy h ALA 172 N 0.76 0.99 -0.47 2.92 0.00 -0.19 -1.71 119.26 121.56 3dfy h ALA 172 Ca 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3dfy h ALA 172 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3dfy h ALA 172 CO 0.01 0.04 0.01 0.28 0.00 0.00 0.00 179.25 179.59 3dfy h VAL 173 N 0.70 1.26 -0.75 0.00 2.07 -1.24 -1.02 116.25 117.27 3dfy h VAL 173 Ca 0.34 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3dfy h VAL 173 Cb 0.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3dfy h VAL 173 CO -0.22 0.37 0.29 -0.08 0.02 0.00 0.00 177.57 177.94 3dfy h GLU 174 N 0.69 1.13 -0.29 1.57 4.81 -0.97 -0.02 114.58 121.50 3dfy h GLU 174 Ca 0.14 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 3dfy h GLU 174 Cb 0.50 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3dfy h GLU 174 CO 0.02 0.93 -0.43 0.93 -0.73 0.00 0.00 179.01 179.74 3dfy h GLU 175 N 1.09 0.73 -0.47 1.92 4.39 -1.22 -2.51 114.58 118.52 3dfy h GLU 175 Ca 0.25 -0.40 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 3dfy h GLU 175 Cb 0.23 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3dfy h GLU 175 CO -0.02 1.02 -0.22 0.82 -1.16 0.00 0.00 179.01 179.45 3dfy h ILE 176 N 0.59 1.27 -0.79 3.13 2.04 -0.96 -3.00 117.51 119.79 3dfy h ILE 176 Ca 0.04 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3dfy h ILE 176 Cb 0.98 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3dfy h ILE 176 CO 0.09 0.47 0.50 0.00 0.00 0.00 0.00 178.15 179.21 3dfy h ALA 177 N 0.85 1.40 -0.17 1.87 0.00 -0.87 -2.56 119.26 119.78 3dfy h ALA 177 Ca 0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3dfy h ALA 177 Cb 0.80 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 177 CO 0.07 0.54 -0.28 0.87 0.00 0.00 0.00 179.25 180.45 3dfy h LYS 178 N 1.07 0.32 -0.65 0.00 1.57 -1.32 -3.04 116.57 114.53 3dfy h LYS 178 Ca 0.29 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3dfy h LYS 178 Cb -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3dfy h LYS 178 CO -0.06 0.58 0.00 1.33 -0.57 0.00 0.00 179.45 180.73 3dfy n VAL 179 N -4.13 1.88 -2.55 0.50 0.24 -1.02 -4.33 118.33 108.92 3dfy n VAL 179 Ca -0.01 -1.21 0.02 0.00 -2.04 0.00 0.00 64.34 61.10 3dfy n VAL 179 Cb 0.39 0.11 0.02 0.00 -1.47 0.00 0.00 33.84 32.90 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 1.11 0.32 -1.59 3.34 -2.24 -1.00 -4.67 114.28 109.55 3dfy n THR 180 Ca 0.26 -1.41 -0.50 0.00 -2.27 0.00 0.00 64.05 60.12 3dfy n THR 180 Cb 0.91 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 70.13 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 0.13 1.24 0.00 -0.78 1.74 -1.19 -1.68 116.66 116.12 3dfy n ARG 181 Ca 0.03 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3dfy n ARG 181 Cb 1.02 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 2.39 2.25 3.91 -0.13 0.00 -1.26 -5.08 105.19 107.28 3dfy n GLY 182 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.49 3.66 0.18 4.61 0.00 -0.67 -4.99 121.76 122.06 3dfy s ALA 183 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3dfy s ALA 183 Cb 0.00 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 3dfy s ALA 183 CO 0.00 0.28 0.35 0.15 0.00 0.00 0.00 175.76 176.54 3dfy s LYS 184 N -3.51 3.49 0.01 0.00 1.02 -0.01 -4.97 119.74 115.77 3dfy s LYS 184 Ca 0.43 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 56.04 3dfy s LYS 184 Cb -0.11 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 3dfy s LYS 184 CO 0.30 0.45 -0.21 0.71 -0.92 0.00 0.00 175.35 175.68 3dfy s TYR 185 N -1.81 1.89 -0.13 3.18 2.02 -1.26 -1.02 117.35 120.22 3dfy s TYR 185 Ca 0.37 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 3dfy s TYR 185 Cb -0.11 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 3dfy s TYR 185 CO 0.29 0.02 -0.18 0.42 -1.57 0.00 0.00 175.55 174.53 3dfy s ILE 186 N -0.63 1.78 -0.17 2.71 1.01 -0.73 -0.40 121.20 124.77 3dfy s ILE 186 Ca 0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3dfy s ILE 186 Cb -0.08 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 3dfy s ILE 186 CO 0.00 0.50 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 3dfy s VAL 187 N 0.97 3.03 -0.30 2.92 1.01 0.00 0.44 120.40 128.48 3dfy s VAL 187 Ca -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3dfy s VAL 187 Cb -0.15 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3dfy s VAL 187 CO -0.03 0.49 0.01 -0.62 0.00 0.00 0.00 175.10 174.95 3dfy s ASP 188 N 0.95 4.88 0.00 3.32 -1.08 -0.76 -0.01 116.67 123.97 3dfy s ASP 188 Ca -0.02 -1.12 0.29 0.00 -0.52 0.00 0.00 52.55 51.18 3dfy s ASP 188 Cb -0.15 -1.75 1.27 0.00 -1.46 0.00 0.00 42.92 40.83 3dfy s ASP 188 CO -0.01 -0.24 1.87 0.00 0.52 0.00 0.00 175.17 177.31 3dfy n ALA 189 N 4.69 2.68 -4.32 3.66 0.00 -0.98 -1.60 120.51 124.65 3dfy n ALA 189 Ca -0.14 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.64 3dfy n ALA 189 Cb 0.45 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.40 0.57 -0.61 0.00 4.13 -1.20 -0.89 115.26 116.86 3dfy n ASN 190 Ca 0.19 -1.26 -0.08 0.00 1.68 0.00 0.00 54.58 55.11 3dfy n ASN 190 Cb 0.28 -1.69 -0.03 0.00 -1.54 0.00 0.00 39.78 36.79 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 -4.52 -1.30 0.17 3.52 2.81 0.26 -4.90 117.12 113.16 3dfy n MET 191 Ca -0.28 0.72 0.13 0.00 -1.81 0.00 0.00 57.70 56.46 3dfy n MET 191 Cb 0.67 -4.87 0.31 0.00 -0.71 0.00 0.00 33.22 28.62 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 -3.60 3.03 0.00 -1.00 -3.36 103.07 98.14 3dfy h GLY 192 Ca -0.16 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.66 3dfy h GLY 192 CO 0.24 0.00 -0.46 -0.19 0.00 0.00 0.00 176.54 176.13 3dfy s TYR 193 N -3.19 3.43 0.58 5.60 2.02 -0.50 -4.84 117.35 120.45 3dfy s TYR 193 Ca 0.08 0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.77 3dfy s TYR 193 Cb 0.09 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 40.06 3dfy s TYR 193 CO 0.62 0.48 0.87 0.95 -1.57 0.00 0.00 175.55 176.90 3dfy s THR 194 N -1.87 3.56 0.16 -0.71 -4.23 -1.26 -4.18 115.64 107.11 3dfy s THR 194 Ca 0.34 -0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.55 3dfy s THR 194 Cb -0.10 -3.40 0.08 0.00 1.34 0.00 0.00 72.50 70.42 3dfy s THR 194 CO 0.28 -0.39 1.67 1.56 -0.54 0.00 0.00 174.62 177.21 3dfy h GLN 195 N -0.11 0.01 -0.51 3.99 4.20 -1.93 0.25 115.11 121.02 3dfy h GLN 195 Ca -0.45 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 3dfy h GLN 195 Cb 1.26 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3dfy h GLN 195 CO 0.60 0.01 0.30 0.87 -0.67 0.00 0.00 178.83 179.94 3dfy h LYS 196 N 0.01 0.69 -0.63 1.46 6.56 -1.99 -1.54 116.57 121.13 3dfy h LYS 196 Ca 0.19 -0.06 -0.08 0.00 -1.06 0.00 0.00 60.65 59.63 3dfy h LYS 196 Cb 0.28 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 3dfy h LYS 196 CO -0.39 0.50 0.06 0.93 -2.06 0.00 0.00 179.45 178.49 3dfy h GLU 197 N 0.68 1.06 -0.76 3.15 5.08 -1.81 -1.62 114.58 120.35 3dfy h GLU 197 Ca 0.18 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3dfy h GLU 197 Cb -0.01 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3dfy h GLU 197 CO -0.03 0.99 0.36 0.00 -1.00 0.00 0.00 179.01 179.33 3dfy h ALA 198 N 1.07 1.19 -0.13 3.43 0.00 -0.17 -1.04 119.26 123.62 3dfy h ALA 198 Ca 0.19 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3dfy h ALA 198 Cb 0.48 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dfy h ALA 198 CO 0.02 0.61 -0.76 0.28 0.00 0.00 0.00 179.25 179.40 3dfy h VAL 199 N 1.09 1.31 -0.64 0.00 2.07 -1.08 -3.10 116.25 115.90 3dfy h VAL 199 Ca 0.26 -2.02 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 3dfy h VAL 199 Cb 0.13 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3dfy h VAL 199 CO -0.03 0.63 0.21 -0.08 0.02 0.00 0.00 177.57 178.32 3dfy h GLU 200 N 0.46 0.96 0.14 1.57 4.57 -0.96 -1.56 114.58 119.77 3dfy h GLU 200 Ca -0.05 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3dfy h GLU 200 Cb 1.38 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 3dfy h GLU 200 CO 0.15 0.82 -0.10 0.35 -1.18 0.00 0.00 179.01 179.04 3dfy h PHE 201 N 0.93 -0.27 -0.48 0.92 3.57 -1.19 0.16 116.94 120.59 3dfy h PHE 201 Ca 0.21 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3dfy h PHE 201 Cb 0.25 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3dfy h PHE 201 CO 0.02 -0.16 0.31 0.00 -2.23 0.00 0.00 178.31 176.24 3dfy h ALA 202 N 0.59 0.61 -0.33 2.41 0.00 -1.43 -1.77 119.26 119.33 3dfy h ALA 202 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dfy h ALA 202 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dfy h ALA 202 CO -0.00 0.04 0.17 0.00 0.00 0.00 0.00 179.25 179.45 3dfy h ARG 203 N 0.63 0.48 0.05 0.00 3.08 -1.09 -0.20 114.38 117.33 3dfy h ARG 203 Ca 0.18 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3dfy h ARG 203 Cb -0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3dfy h ARG 203 CO -0.05 0.43 -0.12 0.00 -1.07 0.00 0.00 179.97 179.16 3dfy h ALA 204 N 1.02 -0.18 -0.76 0.04 0.00 -0.76 0.12 119.26 118.73 3dfy h ALA 204 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dfy h ALA 204 Cb 0.11 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3dfy h ALA 204 CO -0.02 -0.63 0.51 0.28 0.00 0.00 0.00 179.25 179.39 3dfy h VAL 205 N -0.23 1.20 -0.74 0.00 2.07 -1.25 -2.33 116.25 114.97 3dfy h VAL 205 Ca 0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3dfy h VAL 205 Cb 0.26 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3dfy h VAL 205 CO -0.08 0.19 0.47 0.22 0.02 0.00 0.00 177.57 178.39 3dfy h TYR 206 N 1.03 0.94 0.00 1.57 3.20 -0.56 -1.87 116.97 121.29 3dfy h TYR 206 Ca 0.28 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3dfy h TYR 206 Cb -0.12 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.83 3dfy h TYR 206 CO -0.02 0.61 -0.03 1.96 -1.64 0.00 0.00 178.16 179.04 3dfy h GLN 207 N 1.00 0.00 -0.47 1.82 1.08 -0.25 -0.78 115.11 117.52 3dfy h GLN 207 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3dfy h GLN 207 Cb -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3dfy h GLN 207 CO -0.06 0.03 0.00 1.63 -0.95 0.00 0.00 178.83 179.49 3dfy n LYS 208 N -3.25 2.11 -1.44 1.46 5.02 -0.73 -4.89 118.16 116.43 3dfy n LYS 208 Ca -0.01 -1.40 -0.12 0.00 -2.02 0.00 0.00 58.31 54.75 3dfy n LYS 208 Cb 0.20 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 0.92 1.19 3.89 0.72 0.00 -0.30 -5.01 105.19 106.60 3dfy n GLY 209 Ca 0.13 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3dfy n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 210 N -2.47 5.49 -0.11 -0.61 1.01 -1.04 -5.04 121.20 118.42 3dfy s ILE 210 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 3dfy s ILE 210 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 3dfy s ILE 210 CO 0.00 0.54 -0.03 -0.62 0.00 0.00 0.00 174.94 174.83 3dfy s ASP 211 N -1.27 4.92 -0.23 3.58 2.15 -1.26 -4.15 116.67 120.42 3dfy s ASP 211 Ca 0.18 -0.01 -0.03 0.00 0.43 0.00 0.00 52.55 53.13 3dfy s ASP 211 Cb -0.12 -1.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.99 3dfy s ASP 211 CO 0.08 0.29 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.68 3dfy s ILE 212 N -0.36 3.09 0.13 4.11 1.01 -1.26 -4.33 121.20 123.58 3dfy s ILE 212 Ca 0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 3dfy s ILE 212 Cb -0.12 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3dfy s ILE 212 CO 0.02 0.34 1.55 0.00 0.00 0.00 0.00 174.94 176.85 3dfy h ALA 213 N 8.07 0.57 -3.19 9.38 0.00 -1.11 -3.39 119.26 129.58 3dfy h ALA 213 Ca -0.38 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 53.91 3dfy h ALA 213 Cb 1.14 -0.15 -0.36 0.00 0.00 0.00 0.00 17.79 18.42 3dfy h ALA 213 CO 0.60 0.42 -0.67 0.08 0.00 0.00 0.00 179.25 179.68 3dfy s VAL 214 N -4.86 -0.18 -0.56 0.00 1.01 -1.21 -4.32 120.40 110.28 3dfy s VAL 214 Ca -0.13 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 3dfy s VAL 214 Cb 0.10 -0.24 0.14 0.00 0.00 0.00 0.00 36.38 36.39 3dfy s VAL 214 CO 0.82 0.14 0.46 -0.47 0.00 0.00 0.00 175.10 176.05 3dfy s TYR 215 N 2.05 3.44 0.04 5.22 5.04 -0.03 -0.82 117.35 132.29 3dfy s TYR 215 Ca 0.01 -1.84 -0.27 0.00 -2.44 0.00 0.00 57.07 52.54 3dfy s TYR 215 Cb -0.12 -3.60 -0.05 0.00 0.35 0.00 0.00 41.96 38.54 3dfy s TYR 215 CO -0.05 -0.99 0.83 -2.00 -1.34 0.00 0.00 175.55 172.01 3dfy s GLU 216 N 1.07 4.54 -0.04 4.97 2.12 0.98 -0.96 118.70 131.38 3dfy s GLU 216 Ca 0.08 1.18 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 3dfy s GLU 216 Cb -0.24 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3dfy s GLU 216 CO -0.01 0.19 0.04 0.94 -0.54 0.00 0.00 175.26 175.87 3dfy n GLN 217 N 3.10 -0.10 0.08 4.30 -0.06 0.25 -2.31 117.38 122.64 3dfy n GLN 217 Ca 0.00 0.06 -0.03 0.00 -2.00 0.00 0.00 57.00 55.03 3dfy n GLN 217 Cb 0.50 -0.12 0.19 0.00 -4.06 0.00 0.00 30.24 26.75 3dfy n GLN 217 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3dfy h PRO 218 N 0.66 0.26 -5.76 3.69 0.11 -1.84 0.78 132.00 129.92 3dfy h PRO 218 Ca -0.04 -0.14 -0.60 0.00 0.11 0.00 0.00 66.00 65.34 3dfy h PRO 218 Cb 0.08 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.12 3dfy h PRO 218 CO 0.02 0.67 -0.42 0.14 -0.21 0.00 0.00 178.00 178.19 3dfy s VAL 219 N -4.07 1.79 0.61 3.15 -7.23 -1.26 -1.41 120.40 111.97 3dfy s VAL 219 Ca -0.05 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.27 3dfy s VAL 219 Cb 0.13 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 3dfy s VAL 219 CO 0.78 0.00 0.89 0.54 -0.31 0.00 0.00 175.10 177.00 3dfy n ARG 220 N -1.46 0.80 -0.18 4.82 1.74 -1.26 -4.21 116.66 116.90 3dfy n ARG 220 Ca -0.05 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 3dfy n ARG 220 Cb 0.65 -2.10 0.36 0.00 -1.02 0.00 0.00 32.46 30.35 3dfy n ARG 220 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3dfy h ARG 221 N 0.37 0.72 -0.01 5.56 0.11 -1.93 -2.25 114.38 116.95 3dfy h ARG 221 Ca -0.48 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3dfy h ARG 221 Cb 1.37 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3dfy h ARG 221 CO 0.50 0.48 -0.09 -0.85 0.10 0.00 0.00 179.97 180.11 3dfy n GLU 222 N -4.48 1.35 -2.31 0.08 0.00 -1.26 -4.46 120.64 109.55 3dfy n GLU 222 Ca 0.11 -0.77 -0.43 0.00 0.00 0.00 0.00 57.16 56.07 3dfy n GLU 222 Cb 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.19 3dfy n GLU 222 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3dfy n ASP 223 N -0.15 4.97 -0.24 -1.84 2.03 -0.85 -4.73 116.55 115.74 3dfy n ASP 223 Ca 0.17 -3.07 -0.05 0.00 0.52 0.00 0.00 54.79 52.35 3dfy n ASP 223 Cb 0.35 -1.50 0.10 0.00 -0.72 0.00 0.00 41.12 39.34 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 3.83 1.25 -0.62 5.18 1.08 -1.83 -1.44 117.51 124.97 3dfy h ILE 224 Ca 0.41 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3dfy h ILE 224 Cb 0.65 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3dfy h ILE 224 CO 1.63 0.34 0.30 -0.33 -0.69 0.00 0.00 178.15 179.40 3dfy h GLU 225 N 1.04 0.88 -0.30 2.37 5.08 -1.98 -1.48 114.58 120.20 3dfy h GLU 225 Ca 0.23 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3dfy h GLU 225 Cb 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3dfy h GLU 225 CO -0.01 0.68 0.09 0.78 -1.00 0.00 0.00 179.01 179.55 3dfy h GLY 226 N 0.96 0.50 0.61 -3.84 0.00 -1.68 -0.09 103.07 99.53 3dfy h GLY 226 Ca 0.22 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.31 3dfy h GLY 226 CO -0.03 0.28 0.25 1.41 0.00 0.00 0.00 176.54 178.44 3dfy h LEU 227 N 0.32 0.32 -0.94 3.11 3.38 -0.90 -0.36 115.31 120.23 3dfy h LEU 227 Ca 0.10 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3dfy h LEU 227 Cb 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3dfy h LEU 227 CO -0.00 0.21 0.11 0.50 0.09 0.00 0.00 178.44 179.35 3dfy h LYS 228 N 0.47 0.88 -0.39 1.13 3.64 -0.95 -0.40 116.57 120.94 3dfy h LYS 228 Ca 0.25 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3dfy h LYS 228 Cb 0.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3dfy h LYS 228 CO -0.21 0.81 0.01 0.35 -2.27 0.00 0.00 179.45 178.14 3dfy h PHE 229 N 0.84 0.74 -0.55 1.91 3.57 -0.18 -1.95 116.94 121.32 3dfy h PHE 229 Ca 0.18 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 3dfy h PHE 229 Cb 0.35 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3dfy h PHE 229 CO 0.02 0.76 0.00 0.28 -2.23 0.00 0.00 178.31 177.14 3dfy h VAL 230 N 0.51 1.26 -0.64 1.41 2.07 -0.85 -2.76 116.25 117.25 3dfy h VAL 230 Ca 0.11 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3dfy h VAL 230 Cb 0.46 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3dfy h VAL 230 CO 0.02 0.39 0.36 -0.09 0.02 0.00 0.00 177.57 178.27 3dfy h ARG 231 N 0.87 0.65 -0.66 1.57 2.43 -0.83 0.26 114.38 118.67 3dfy h ARG 231 Ca 0.16 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3dfy h ARG 231 Cb 0.51 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3dfy h ARG 231 CO 0.03 0.43 0.24 0.35 -1.51 0.00 0.00 179.97 179.50 3dfy h PHE 232 N 0.67 1.03 0.00 2.20 3.57 -1.09 -3.28 116.94 120.05 3dfy h PHE 232 Ca 0.28 -0.09 -0.15 0.00 3.53 0.00 0.00 57.97 61.54 3dfy h PHE 232 Cb 0.14 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3dfy h PHE 232 CO -0.08 0.82 -1.39 0.72 -2.23 0.00 0.00 178.31 176.15 3dfy n HIS 233 N -4.38 0.94 -2.44 0.41 8.25 -1.05 -4.91 115.22 112.05 3dfy n HIS 233 Ca 0.05 0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 57.39 3dfy n HIS 233 Cb 0.19 -1.06 -0.03 0.00 1.12 0.00 0.00 29.99 30.22 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 -5.69 7.09 0.00 0.41 0.15 0.88 -4.90 113.70 111.64 3dfy s SER 234 Ca -0.03 1.98 0.26 0.00 0.70 0.00 0.00 55.95 58.87 3dfy s SER 234 Cb 0.09 -2.58 1.18 0.00 -1.71 0.00 0.00 66.02 63.00 3dfy s SER 234 CO 0.81 -0.47 1.86 -0.81 1.20 0.00 0.00 173.24 175.83 3dfy n PRO 235 N 4.02 0.11 -4.08 5.44 -0.04 -1.26 -4.77 135.00 134.43 3dfy n PRO 235 Ca 0.09 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 3dfy n PRO 235 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.88 3.14 0.25 0.54 0.08 -1.26 -5.05 117.98 112.80 3dfy s PHE 236 Ca 0.16 0.06 -0.31 0.00 0.12 0.00 0.00 56.93 56.96 3dfy s PHE 236 Cb 0.17 -1.61 -0.11 0.00 -0.57 0.00 0.00 43.02 40.91 3dfy s PHE 236 CO 0.45 0.51 1.61 -2.14 -0.10 0.00 0.00 175.22 175.56 3dfy s PRO 237 N -2.32 4.15 -0.15 0.24 0.02 -1.26 -4.84 135.00 130.84 3dfy s PRO 237 Ca 0.28 2.53 -0.08 0.00 0.02 0.00 0.00 61.00 63.75 3dfy s PRO 237 Cb -0.12 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3dfy s PRO 237 CO 0.20 -0.64 0.13 0.08 -0.33 0.00 0.00 177.00 176.44 3dfy s VAL 238 N 0.48 5.38 0.13 3.83 1.01 -1.26 -0.85 120.40 129.11 3dfy s VAL 238 Ca 0.67 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.91 3dfy s VAL 238 Cb -0.47 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3dfy s VAL 238 CO 0.41 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.88 3dfy s ALA 239 N -0.43 2.70 -0.15 5.51 0.00 -0.14 -0.64 121.76 128.61 3dfy s ALA 239 Ca 0.12 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 3dfy s ALA 239 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3dfy s ALA 239 CO 0.01 0.57 0.04 0.00 0.00 0.00 0.00 175.76 176.39 3dfy s ALA 240 N -1.23 3.35 0.00 0.00 0.00 -0.31 -0.58 121.76 122.98 3dfy s ALA 240 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3dfy s ALA 240 Cb -0.10 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3dfy s ALA 240 CO 0.11 0.30 0.00 -3.47 0.00 0.00 0.00 175.76 172.70 3dfy n ASP 241 N 3.13 0.00 0.13 0.00 -0.08 -1.26 -0.22 116.55 118.25 3dfy n ASP 241 Ca -0.17 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.29 3dfy n ASP 241 Cb 0.53 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.76 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 0.00 -0.00 -0.67 3.07 -1.94 0.12 114.58 115.16 3dfy h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dfy h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3dfy h GLU 242 CO 0.00 0.00 -0.09 0.43 -1.40 0.00 0.00 179.01 177.95 3dfy n SER 243 N -3.93 0.23 -3.86 1.42 7.64 -1.26 -4.45 113.62 109.41 3dfy n SER 243 Ca 0.05 -0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.41 3dfy n SER 243 Cb 0.46 -0.19 -0.13 0.00 -1.01 0.00 0.00 64.21 63.34 3dfy n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dfy s ALA 244 N -2.64 3.17 -0.19 -0.43 0.00 0.43 -4.73 121.76 117.38 3dfy s ALA 244 Ca 0.25 -3.31 -0.02 0.00 0.00 0.00 0.00 51.96 48.88 3dfy s ALA 244 Cb 0.20 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.12 3dfy s ALA 244 CO 0.50 -2.05 -0.19 0.54 0.00 0.00 0.00 175.76 174.55 3dfy n ARG 245 N 2.76 0.46 -4.26 0.00 1.74 -1.26 -4.83 116.66 111.26 3dfy n ARG 245 Ca 0.12 0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 57.09 3dfy n ARG 245 Cb 0.34 -1.33 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 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 -2.37 2.51 0.41 0.55 -4.23 -1.26 -3.30 115.64 107.95 3dfy s THR 246 Ca -0.26 -1.85 0.20 0.00 -1.18 0.00 0.00 61.69 58.60 3dfy s THR 246 Cb 0.08 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 71.22 3dfy s THR 246 CO 0.41 -0.11 1.99 0.07 -0.54 0.00 0.00 174.62 176.43 3dfy h LYS 247 N 1.64 0.00 -0.23 3.99 2.10 -1.95 -1.08 116.57 121.04 3dfy h LYS 247 Ca -0.43 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.06 3dfy h LYS 247 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3dfy h LYS 247 CO 0.69 0.20 -0.52 0.74 -2.00 0.00 0.00 179.45 178.56 3dfy h PHE 248 N 0.00 0.82 -0.60 0.07 0.04 -1.97 -1.76 116.94 113.54 3dfy h PHE 248 Ca -0.00 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.49 3dfy h PHE 248 Cb 0.40 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3dfy h PHE 248 CO 0.00 1.03 0.38 -0.44 -0.60 0.00 0.00 178.31 178.69 3dfy h ASP 249 N 0.51 0.70 -0.50 2.17 3.32 -1.54 -2.12 116.42 118.96 3dfy h ASP 249 Ca 0.02 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3dfy h ASP 249 Cb 1.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3dfy h ASP 249 CO 0.10 0.53 -0.02 0.58 -1.72 0.00 0.00 179.24 178.71 3dfy h VAL 250 N 0.81 1.26 -0.96 -1.35 2.07 -1.30 -0.88 116.25 115.91 3dfy h VAL 250 Ca 0.22 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.66 3dfy h VAL 250 Cb -0.07 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3dfy h VAL 250 CO -0.04 0.39 0.63 -0.03 0.02 0.00 0.00 177.57 178.54 3dfy h MET 251 N 0.76 1.20 -0.46 1.57 1.85 -1.12 0.17 114.93 118.89 3dfy h MET 251 Ca 0.14 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 59.11 3dfy h MET 251 Cb 0.54 -0.27 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 3dfy h MET 251 CO 0.03 0.79 0.12 -0.09 -0.40 0.00 0.00 176.91 177.36 3dfy h ARG 252 N 1.23 0.74 -0.92 0.39 2.43 -1.01 0.11 114.38 117.35 3dfy h ARG 252 Ca 0.38 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3dfy h ARG 252 Cb -0.02 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3dfy h ARG 252 CO -0.11 0.73 0.52 -0.07 -1.51 0.00 0.00 179.97 179.53 3dfy h LEU 253 N 0.62 1.13 -0.14 3.80 3.38 0.02 0.22 115.31 124.33 3dfy h LEU 253 Ca 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dfy h LEU 253 Cb 0.32 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dfy h LEU 253 CO 0.00 0.89 0.00 0.58 0.09 0.00 0.00 178.44 180.00 3dfy h VAL 254 N 1.27 1.25 -0.39 1.22 2.07 -0.44 -0.25 116.25 120.97 3dfy h VAL 254 Ca 0.32 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3dfy h VAL 254 Cb -0.00 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3dfy h VAL 254 CO -0.06 0.24 0.13 0.11 0.02 0.00 0.00 177.57 178.01 3dfy h LYS 255 N -0.01 0.56 -0.01 1.57 1.57 -0.50 -1.89 116.57 117.87 3dfy h LYS 255 Ca 0.04 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3dfy h LYS 255 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dfy h LYS 255 CO 0.01 0.49 -0.17 0.39 -0.57 0.00 0.00 179.45 179.59 3dfy n GLU 256 N -4.36 0.73 -3.82 3.15 -0.58 0.04 -4.93 120.64 110.87 3dfy n GLU 256 Ca 0.02 -0.34 -0.25 0.00 -0.42 0.00 0.00 57.16 56.17 3dfy n GLU 256 Cb 0.16 -1.49 0.02 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 -0.84 -4.97 0.06 3.49 1.02 -0.20 -4.92 120.64 114.28 3dfy n GLU 257 Ca 0.13 0.59 -0.04 0.00 -0.02 0.00 0.00 57.16 57.82 3dfy n GLU 257 Cb 0.31 -5.24 -0.09 0.00 -0.02 0.00 0.00 31.44 26.41 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 0.90 0.57 -2.51 0.62 0.00 -1.59 -3.46 119.26 113.79 3dfy h ALA 258 Ca -0.60 -0.92 -0.14 0.00 0.00 0.00 0.00 54.91 53.24 3dfy h ALA 258 Cb 1.37 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 3dfy h ALA 258 CO 0.62 1.13 -0.50 0.14 0.00 0.00 0.00 179.25 180.64 3dfy s VAL 259 N -2.78 0.09 -0.09 0.00 -7.23 -1.26 -3.04 120.40 106.10 3dfy s VAL 259 Ca -0.00 -1.66 0.15 0.00 -1.81 0.00 0.00 61.98 58.66 3dfy s VAL 259 Cb 0.09 -1.91 -0.22 0.00 0.56 0.00 0.00 36.38 34.90 3dfy s VAL 259 CO 0.80 -0.43 0.56 0.47 -0.31 0.00 0.00 175.10 176.20 3dfy n ASP 260 N -0.13 0.67 -4.21 4.85 8.00 0.18 -4.97 116.55 120.95 3dfy n ASP 260 Ca -0.07 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 3dfy n ASP 260 Cb 0.63 0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.65 1.08 -0.04 1.24 1.51 -0.13 -1.64 117.35 116.71 3dfy s TYR 261 Ca -0.06 -0.81 0.03 0.00 -1.01 0.00 0.00 57.07 55.23 3dfy s TYR 261 Cb 0.08 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.35 3dfy s TYR 261 CO 0.83 -0.03 -0.14 0.08 -1.11 0.00 0.00 175.55 175.18 3dfy s VAL 262 N -3.34 1.17 -0.49 0.71 1.01 -0.88 -1.17 120.40 117.41 3dfy s VAL 262 Ca 0.13 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3dfy s VAL 262 Cb 0.03 -1.02 0.11 0.00 0.00 0.00 0.00 36.38 35.49 3dfy s VAL 262 CO -0.02 0.35 0.41 0.21 0.00 0.00 0.00 175.10 176.05 3dfy s ASN 263 N 0.21 6.01 0.17 3.32 2.47 0.70 -2.16 114.94 125.65 3dfy s ASN 263 Ca -0.06 -1.67 -0.30 0.00 0.42 0.00 0.00 52.86 51.25 3dfy s ASN 263 Cb -0.11 -2.13 -0.07 0.00 -1.45 0.00 0.00 41.25 37.48 3dfy s ASN 263 CO 0.02 -0.73 1.02 -0.63 -3.72 0.00 0.00 177.10 173.06 3dfy s ILE 264 N 1.54 4.12 -0.06 -5.21 1.01 -0.23 -4.68 121.20 117.69 3dfy s ILE 264 Ca 0.04 1.86 -0.00 0.00 0.00 0.00 0.00 60.65 62.55 3dfy s ILE 264 Cb -0.27 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.04 3dfy s ILE 264 CO 0.03 0.33 -0.03 -0.54 0.00 0.00 0.00 174.94 174.73 3dfy s LYS 265 N -0.41 0.84 0.51 2.79 1.02 -1.26 -0.41 119.74 122.82 3dfy s LYS 265 Ca 0.47 -0.04 0.18 0.00 0.02 0.00 0.00 55.97 56.60 3dfy s LYS 265 Cb -0.27 -0.99 1.26 0.00 -0.52 0.00 0.00 37.83 37.31 3dfy s LYS 265 CO 0.33 -0.19 2.07 -0.07 -0.92 0.00 0.00 175.35 176.57 3dfy h LEU 266 N 7.75 0.08 -0.90 3.17 3.38 -1.87 -0.27 115.31 126.64 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 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3dfy h LEU 266 CO 0.38 0.05 0.00 0.24 0.09 0.00 0.00 178.44 179.20 3dfy h MET 267 N 0.09 0.00 0.01 1.13 2.86 -1.91 0.30 114.93 117.40 3dfy h MET 267 Ca 0.13 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.38 3dfy h MET 267 Cb 0.39 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 3dfy h MET 267 CO -0.01 0.00 -2.45 1.63 1.06 0.00 0.00 176.91 177.13 3dfy n LYS 268 N -2.32 0.66 -0.03 1.72 5.02 -0.19 -2.82 118.16 120.19 3dfy n LYS 268 Ca 0.01 0.15 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 3dfy n LYS 268 Cb 0.20 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.27 1.23 -0.01 4.39 7.64 -0.75 -4.68 113.62 118.16 3dfy n SER 269 Ca -0.45 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.43 3dfy n SER 269 Cb 0.99 1.41 -0.00 0.00 -1.01 0.00 0.00 64.21 65.60 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 1.76 -1.68 0.25 0.23 0.00 0.10 -3.21 105.19 102.64 3dfy n GLY 270 Ca -0.12 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.01 1.27 0.00 -0.61 1.08 -1.83 -2.73 117.51 114.68 3dfy h ILE 271 Ca -0.00 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 3dfy h ILE 271 Cb 0.01 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 3dfy h ILE 271 CO 0.00 0.41 0.00 -0.24 -0.69 0.00 0.00 178.15 177.63 3dfy n SER 272 N -4.27 0.00 0.20 1.72 2.88 -1.26 -1.24 113.62 111.64 3dfy n SER 272 Ca -0.00 0.95 0.04 0.00 -1.33 0.00 0.00 58.87 58.53 3dfy n SER 272 Cb 0.37 -0.45 0.42 0.00 -0.75 0.00 0.00 64.21 63.80 3dfy n SER 272 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3dfy h ASP 273 N 0.00 0.02 -0.42 -3.46 5.19 -1.66 -2.91 116.42 113.17 3dfy h ASP 273 Ca 0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3dfy h ASP 273 Cb 0.00 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 3dfy h ASP 273 CO 0.00 0.29 0.26 0.00 -3.12 0.00 0.00 179.24 176.68 3dfy h ALA 274 N 1.71 0.54 -0.51 3.45 0.00 -1.12 0.17 119.26 123.49 3dfy h ALA 274 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dfy h ALA 274 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3dfy h ALA 274 CO 0.04 0.02 0.19 -0.07 0.00 0.00 0.00 179.25 179.43 3dfy h LEU 275 N 0.56 0.68 -0.21 0.00 3.38 -0.98 -1.66 115.31 117.08 3dfy h LEU 275 Ca 0.15 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3dfy h LEU 275 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3dfy h LEU 275 CO -0.03 0.62 -0.05 0.00 0.09 0.00 0.00 178.44 179.07 3dfy h ALA 276 N 1.48 0.29 -0.87 1.53 0.00 -1.25 -2.61 119.26 117.83 3dfy h ALA 276 Ca 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dfy h ALA 276 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3dfy h ALA 276 CO -0.02 0.07 0.57 0.82 0.00 0.00 0.00 179.25 180.70 3dfy h ILE 277 N 0.13 1.22 -0.08 0.00 2.04 -0.31 0.11 117.51 120.63 3dfy h ILE 277 Ca 0.05 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3dfy h ILE 277 Cb 0.50 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3dfy h ILE 277 CO 0.02 0.22 0.03 0.58 0.00 0.00 0.00 178.15 179.00 3dfy h VAL 278 N 1.18 0.99 -0.62 1.67 2.07 -1.20 0.13 116.25 120.47 3dfy h VAL 278 Ca 0.32 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.73 3dfy h VAL 278 Cb -0.13 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3dfy h VAL 278 CO -0.07 0.01 0.09 -0.33 0.02 0.00 0.00 177.57 177.29 3dfy h GLU 279 N 0.08 1.03 -0.42 1.57 4.39 -1.01 -1.34 114.58 118.87 3dfy h GLU 279 Ca 0.03 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 3dfy h GLU 279 Cb 0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3dfy h GLU 279 CO -0.03 0.95 0.19 0.82 -1.16 0.00 0.00 179.01 179.78 3dfy h ILE 280 N 0.96 1.19 -0.00 3.13 2.04 -0.51 -2.32 117.51 122.00 3dfy h ILE 280 Ca 0.19 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3dfy h ILE 280 Cb 0.44 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3dfy h ILE 280 CO 0.01 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.38 3dfy h ALA 281 N 1.03 0.00 0.00 1.87 0.00 -0.48 -2.50 119.26 119.19 3dfy h ALA 281 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dfy h ALA 281 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dfy h ALA 281 CO -0.01 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.17 3dfy n GLU 282 N -5.05 0.04 -0.21 0.00 1.02 -0.53 -1.47 120.64 114.45 3dfy n GLU 282 Ca -0.07 0.34 0.10 0.00 -0.02 0.00 0.00 57.16 57.50 3dfy n GLU 282 Cb 0.07 -1.58 0.21 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 -1.64 3.30 -0.27 1.62 7.64 -0.88 -4.54 113.62 118.85 3dfy n SER 283 Ca 0.02 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.96 3dfy n SER 283 Cb 0.14 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 1.22 0.00 -0.63 6.43 3.41 -0.54 -5.02 113.62 118.49 3dfy n SER 284 Ca 0.17 -1.47 -0.08 0.00 -0.26 0.00 0.00 58.87 57.23 3dfy n SER 284 Cb 0.54 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.01 3.75 5.00 0.00 -1.03 -4.99 105.19 108.91 3dfy n GLY 285 Ca 0.00 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3dfy n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dfy s LEU 286 N -1.88 4.32 0.36 0.99 2.96 -0.95 -5.01 118.68 119.47 3dfy s LEU 286 Ca 0.00 0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 3dfy s LEU 286 Cb 0.00 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 3dfy s LEU 286 CO 0.00 0.08 0.59 -0.54 -1.32 0.00 0.00 176.35 175.16 3dfy s LYS 287 N 0.20 3.53 0.10 1.98 1.02 -0.65 -4.43 119.74 121.49 3dfy s LYS 287 Ca 0.25 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.13 3dfy s LYS 287 Cb -0.15 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 3dfy s LYS 287 CO 0.11 0.10 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.01 3dfy s LEU 288 N -4.21 2.38 0.06 3.17 1.43 -1.26 -2.07 118.68 118.18 3dfy s LEU 288 Ca 0.42 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3dfy s LEU 288 Cb -0.10 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 3dfy s LEU 288 CO 0.36 -0.18 -0.05 0.00 0.23 0.00 0.00 176.35 176.71 3dfy s MET 289 N -2.51 0.61 -0.05 1.70 0.23 -0.92 -1.05 119.30 117.31 3dfy s MET 289 Ca 0.05 -1.09 0.05 0.00 -1.03 0.00 0.00 55.69 53.67 3dfy s MET 289 Cb -0.05 0.01 -0.00 0.00 -1.53 0.00 0.00 34.83 33.25 3dfy s MET 289 CO 0.02 -0.05 -0.20 -1.50 -2.03 0.00 0.00 175.02 171.25 3dfy s ILE 290 N -3.09 1.70 0.00 3.16 2.07 -0.98 -1.07 121.20 122.99 3dfy s ILE 290 Ca 0.02 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.40 3dfy s ILE 290 Cb 0.02 -1.45 0.00 0.00 0.13 0.00 0.00 42.46 41.16 3dfy s ILE 290 CO -0.06 0.48 0.00 0.61 -1.91 0.00 0.00 174.94 174.06 3dfy n GLY 291 N 3.13 6.12 3.65 1.50 0.00 0.46 -0.15 105.19 119.90 3dfy n GLY 291 Ca -0.18 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.46 0.00 -1.28 0.00 2.81 -1.26 -4.98 117.12 111.95 3dfy n MET 293 Ca -0.03 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.87 3dfy n MET 293 Cb 0.61 0.00 0.11 0.00 -0.71 0.00 0.00 33.22 33.23 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 4.42 3.70 3.74 3.03 0.00 -1.26 -4.77 105.19 114.05 3dfy n GLY 294 Ca 0.00 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.51 2.12 -1.55 1.61 4.71 -1.26 -4.91 120.64 120.86 3dfy n GLU 295 Ca 0.17 0.76 -0.17 0.00 -0.01 0.00 0.00 57.16 57.91 3dfy n GLU 295 Cb 0.88 -2.53 0.11 0.00 -1.01 0.00 0.00 31.44 28.89 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 -0.02 0.46 -0.34 1.62 3.41 -1.26 -2.80 113.62 114.68 3dfy n SER 296 Ca 0.06 -1.52 0.07 0.00 -0.26 0.00 0.00 58.87 57.22 3dfy n SER 296 Cb 0.41 -0.54 0.25 0.00 -0.26 0.00 0.00 64.21 64.07 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 -0.77 0.90 0.11 4.04 4.64 -1.92 -0.15 113.55 120.39 3dfy h SER 297 Ca -0.25 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3dfy h SER 297 Cb 0.78 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3dfy h SER 297 CO 0.21 0.50 -0.23 0.25 -0.87 0.00 0.00 176.83 176.69 3dfy h LEU 298 N 0.98 0.22 0.09 5.97 6.46 -1.93 -2.36 115.31 124.73 3dfy h LEU 298 Ca 0.48 -0.06 -0.28 0.00 -0.12 0.00 0.00 57.88 57.90 3dfy h LEU 298 Cb 0.46 -0.06 0.03 0.00 -0.73 0.00 0.00 40.66 40.36 3dfy h LEU 298 CO -0.24 0.47 -1.13 1.23 -0.62 0.00 0.00 178.44 178.15 3dfy h GLY 299 N 0.92 0.69 2.00 3.75 0.00 -1.46 -3.22 103.07 105.75 3dfy h GLY 299 Ca 0.04 -1.38 -0.04 0.00 0.00 0.00 0.00 47.33 45.95 3dfy h GLY 299 CO 0.04 1.22 -0.17 1.19 0.00 0.00 0.00 176.54 178.81 3dfy h ILE 300 N 0.24 0.70 -0.95 2.60 6.09 -1.00 -1.70 117.51 123.48 3dfy h ILE 300 Ca -0.17 -0.71 0.13 0.00 -1.37 0.00 0.00 64.86 62.75 3dfy h ILE 300 Cb 1.81 1.44 -0.08 0.00 0.47 0.00 0.00 36.82 40.47 3dfy h ILE 300 CO 0.22 0.17 0.61 -1.13 -3.07 0.00 0.00 178.15 174.94 3dfy h ASN 301 N 0.00 0.80 -0.15 2.19 -1.24 -1.43 -0.07 115.58 115.68 3dfy h ASN 301 Ca -0.00 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.08 3dfy h ASN 301 Cb 0.43 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 3dfy h ASN 301 CO 0.02 0.41 0.01 1.56 -1.29 0.00 0.00 177.43 178.15 3dfy h GLN 302 N 0.85 0.07 0.00 6.67 4.20 -1.42 -1.78 115.11 123.70 3dfy h GLN 302 Ca 0.48 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.06 3dfy h GLN 302 Cb 0.60 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3dfy h GLN 302 CO -0.24 0.05 -0.60 0.77 -0.67 0.00 0.00 178.83 178.13 3dfy h SER 303 N 0.07 0.00 -0.16 1.46 0.02 -1.39 -2.55 113.55 111.00 3dfy h SER 303 Ca 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3dfy h SER 303 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3dfy h SER 303 CO -0.10 0.60 0.02 0.58 -1.14 0.00 0.00 176.83 176.79 3dfy h VAL 304 N 0.00 1.23 -0.73 2.27 2.07 -0.74 0.44 116.25 120.78 3dfy h VAL 304 Ca -0.01 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3dfy h VAL 304 Cb 1.10 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3dfy h VAL 304 CO 0.08 0.22 0.31 0.45 0.02 0.00 0.00 177.57 178.65 3dfy h HIS 305 N 0.05 1.09 -0.36 1.57 -0.00 -1.31 0.99 115.15 117.18 3dfy h HIS 305 Ca 0.05 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 3dfy h HIS 305 Cb 0.31 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 3dfy h HIS 305 CO 0.02 0.82 0.15 0.35 -0.00 0.00 0.00 177.93 179.27 3dfy h PHE 306 N 1.06 0.54 -0.42 2.45 3.57 -1.25 0.24 116.94 123.12 3dfy h PHE 306 Ca 0.25 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 3dfy h PHE 306 Cb 0.17 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3dfy h PHE 306 CO 0.02 0.48 -0.14 0.00 -2.23 0.00 0.00 178.31 176.44 3dfy h ALA 307 N 1.00 0.58 -0.01 2.41 0.00 -0.57 -0.89 119.26 121.78 3dfy h ALA 307 Ca 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dfy h ALA 307 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dfy h ALA 307 CO -0.01 0.50 -0.00 -0.07 0.00 0.00 0.00 179.25 179.66 3dfy h LEU 308 N 0.65 0.01 0.22 0.00 3.38 -0.66 0.26 115.31 119.17 3dfy h LEU 308 Ca 0.10 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3dfy h LEU 308 Cb 0.69 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dfy h LEU 308 CO 0.05 0.35 -0.11 1.23 0.09 0.00 0.00 178.44 180.06 3dfy h GLY 309 N -0.33 -0.31 1.79 0.83 0.00 -0.52 -0.82 103.07 103.70 3dfy h GLY 309 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.24 3dfy h GLY 309 CO 0.00 -0.11 -0.93 -0.91 0.00 0.00 0.00 176.54 174.59 3dfy h THR 310 N -0.36 1.52 -3.39 4.70 1.35 -1.23 -0.64 112.91 114.86 3dfy h THR 310 Ca -0.03 -2.75 -0.34 0.00 -0.55 0.00 0.00 66.41 62.74 3dfy h THR 310 Cb 0.28 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 3dfy h THR 310 CO 0.05 0.80 -0.44 0.61 -0.25 0.00 0.00 175.52 176.29 3dfy n GLY 311 N 0.99 -0.50 0.35 5.82 0.00 0.90 -4.77 105.19 107.98 3dfy n GLY 311 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3dfy n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n ALA 312 N -2.13 2.84 -2.83 4.61 0.00 -1.26 -4.94 120.51 116.80 3dfy n ALA 312 Ca -0.20 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 3dfy n ALA 312 Cb 0.65 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.27 3.14 0.12 0.00 0.08 -1.26 -4.43 117.98 113.36 3dfy s PHE 313 Ca 0.31 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.23 3dfy s PHE 313 Cb 0.20 -1.94 -0.12 0.00 -0.57 0.00 0.00 43.02 40.60 3dfy s PHE 313 CO 0.43 0.19 1.34 0.93 -0.10 0.00 0.00 175.22 178.02 3dfy h GLU 314 N 6.17 0.78 -5.14 0.44 4.39 -1.45 -3.46 114.58 116.31 3dfy h GLU 314 Ca -0.39 -0.60 -0.37 0.00 0.34 0.00 0.00 59.36 58.33 3dfy h GLU 314 Cb 1.18 0.12 -0.21 0.00 -0.10 0.00 0.00 28.75 29.74 3dfy h GLU 314 CO 0.62 1.22 -0.77 -0.06 -1.16 0.00 0.00 179.01 178.86 3dfy s PHE 315 N -3.81 1.08 -0.11 4.33 0.08 -1.25 -5.06 117.98 113.23 3dfy s PHE 315 Ca -0.10 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.48 3dfy s PHE 315 Cb 0.09 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.95 3dfy s PHE 315 CO 0.90 0.02 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.90 3dfy s HIS 316 N -1.36 1.83 -0.79 0.36 3.76 -1.25 -2.32 115.29 115.52 3dfy s HIS 316 Ca -0.04 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.00 3dfy s HIS 316 Cb -0.10 -1.37 0.26 0.00 1.11 0.00 0.00 32.58 32.49 3dfy s HIS 316 CO 0.02 -0.51 0.96 -3.47 -0.85 0.00 0.00 174.74 170.90 3dfy n ASP 317 N 4.47 4.57 -3.58 1.40 2.03 0.79 -1.40 116.55 124.84 3dfy n ASP 317 Ca -0.17 -3.42 -0.28 0.00 0.52 0.00 0.00 54.79 51.44 3dfy n ASP 317 Cb 0.51 -0.87 -0.09 0.00 -0.72 0.00 0.00 41.12 39.95 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 1.09 3.70 -0.05 -2.67 4.77 -1.26 -3.23 117.00 119.35 3dfy n LEU 318 Ca 0.28 -5.38 0.01 0.00 -0.03 0.00 0.00 56.01 50.89 3dfy n LEU 318 Cb 0.38 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3dfy n LEU 318 CO 0.50 1.96 0.24 -0.90 -1.33 0.00 0.00 177.39 177.86 3dfy n ASP 319 N 1.16 1.00 -0.29 -1.43 5.75 -1.26 -4.76 116.55 116.72 3dfy n ASP 319 Ca 0.27 -1.00 0.19 0.00 -0.01 0.00 0.00 54.79 54.25 3dfy n ASP 319 Cb 0.39 0.11 0.47 0.00 -1.03 0.00 0.00 41.12 41.06 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 0.23 0.50 1.43 -1.12 4.64 -1.86 0.33 113.55 117.70 3dfy h SER 320 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3dfy h SER 320 Cb 0.05 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3dfy h SER 320 CO 0.00 0.16 0.00 1.12 -0.87 0.00 0.00 176.83 177.24 3dfy h HIS 321 N 0.48 0.00 0.00 4.77 2.07 -1.80 -2.68 115.15 117.98 3dfy h HIS 321 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 3dfy h HIS 321 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3dfy h HIS 321 CO -0.00 0.00 -0.27 -0.07 -3.07 0.00 0.00 177.93 174.52 3dfy h LEU 322 N 0.00 0.00 0.00 6.12 3.38 -0.68 -3.21 115.31 120.92 3dfy h LEU 322 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dfy h LEU 322 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3dfy h LEU 322 CO 0.00 0.04 -0.80 0.23 0.09 0.00 0.00 178.44 178.00 3dfy n MET 323 N -2.30 0.25 -2.92 1.13 2.81 -1.00 -4.94 117.12 110.15 3dfy n MET 323 Ca 0.04 0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.76 3dfy n MET 323 Cb 0.45 -1.62 0.07 0.00 -0.71 0.00 0.00 33.22 31.41 3dfy n MET 323 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3dfy s LEU 324 N -3.92 3.10 -0.28 4.03 1.43 -1.17 -2.26 118.68 119.62 3dfy s LEU 324 Ca 0.06 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 3dfy s LEU 324 Cb 0.14 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.66 3dfy s LEU 324 CO 0.76 -1.44 -0.07 -0.54 0.23 0.00 0.00 176.35 175.29 3dfy s LYS 325 N -4.77 2.11 -0.11 1.70 1.02 -0.76 -4.83 119.74 114.11 3dfy s LYS 325 Ca 0.63 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 55.17 3dfy s LYS 325 Cb -0.06 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 3dfy s LYS 325 CO 0.40 -0.65 -0.09 -1.21 -0.92 0.00 0.00 175.35 172.87 3dfy s GLU 326 N 1.08 1.65 0.17 1.68 2.02 -1.26 -4.59 118.70 119.45 3dfy s GLU 326 Ca -0.05 -0.33 -0.10 0.00 0.02 0.00 0.00 54.97 54.52 3dfy s GLU 326 Cb -0.20 -1.60 0.05 0.00 0.10 0.00 0.00 34.13 32.48 3dfy s GLU 326 CO -0.05 -0.19 1.62 1.05 0.02 0.00 0.00 175.26 177.71 3dfy h GLU 327 N 7.86 1.03 -5.08 1.61 9.09 -2.04 -3.41 114.58 123.64 3dfy h GLU 327 Ca -0.31 -0.34 -0.67 0.00 0.05 0.00 0.00 59.36 58.10 3dfy h GLU 327 Cb 1.15 -0.09 -0.32 0.00 -1.65 0.00 0.00 28.75 27.83 3dfy h GLU 327 CO 0.44 1.02 -0.82 0.54 0.05 0.00 0.00 179.01 180.24 3dfy s VAL 328 N -4.99 2.48 0.28 -1.06 0.11 -1.26 -5.10 120.40 110.87 3dfy s VAL 328 Ca -0.12 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 57.83 3dfy s VAL 328 Cb 0.13 -2.07 -0.11 0.00 -1.53 0.00 0.00 36.38 32.80 3dfy s VAL 328 CO 0.85 0.51 1.55 0.12 -3.33 0.00 0.00 175.10 174.80 3dfy s PHE 329 N 1.21 2.82 -0.12 1.54 5.36 -1.26 -4.92 117.98 122.61 3dfy s PHE 329 Ca 0.02 0.84 0.15 0.00 -0.96 0.00 0.00 56.93 56.98 3dfy s PHE 329 Cb -0.14 -4.00 0.28 0.00 -0.34 0.00 0.00 43.02 38.82 3dfy s PHE 329 CO -0.07 -3.35 1.14 0.54 -1.46 0.00 0.00 175.22 172.01 3dfy n ARG 330 N 2.23 1.07 -3.88 10.12 1.74 -1.26 -5.05 116.66 121.62 3dfy n ARG 330 Ca 0.08 -2.45 -0.34 0.00 -0.77 0.00 0.00 57.85 54.37 3dfy n ARG 330 Cb 0.38 -1.28 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.61 2.19 -0.85 -0.13 0.00 -1.26 -3.90 107.32 100.76 3dfy s GLY 331 Ca 0.28 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 3dfy s GLY 331 CO -0.01 -0.60 2.57 0.28 0.00 0.00 0.00 173.10 175.34 3dfy n LYS 332 N 1.00 3.44 -3.88 2.90 5.02 -1.26 -4.85 118.16 120.54 3dfy n LYS 332 Ca -0.11 -2.91 -0.09 0.00 -2.02 0.00 0.00 58.31 53.18 3dfy n LYS 332 Cb 0.53 -2.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.17 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 -1.58 0.16 -0.25 2.13 -0.12 -1.26 -4.84 117.98 112.22 3dfy s PHE 333 Ca 0.56 -0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 56.70 3dfy s PHE 333 Cb 0.29 0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 43.29 3dfy s PHE 333 CO -0.17 -1.35 0.03 0.42 -0.05 0.00 0.00 175.22 174.10 3dfy s ILE 334 N -3.10 3.87 -0.50 -4.49 1.01 0.27 -4.97 121.20 113.30 3dfy s ILE 334 Ca 0.17 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 3dfy s ILE 334 Cb -0.04 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 39.64 3dfy s ILE 334 CO 0.11 0.30 0.58 -1.58 0.00 0.00 0.00 174.94 174.34 3dfy s GLN 335 N 1.53 3.09 -0.63 2.79 2.00 -1.26 -1.38 119.66 125.80 3dfy s GLN 335 Ca 0.05 -1.01 -0.00 0.00 -2.00 0.00 0.00 55.36 52.39 3dfy s GLN 335 Cb -0.15 -4.11 0.16 0.00 0.80 0.00 0.00 33.01 29.70 3dfy s GLN 335 CO 0.01 -1.19 0.43 0.34 -0.50 0.00 0.00 175.29 174.37 3dfy s ASP 336 N 2.71 5.00 1.71 6.67 2.15 0.98 -5.01 116.67 130.89 3dfy s ASP 336 Ca 0.12 -3.06 0.00 0.00 0.43 0.00 0.00 52.55 50.04 3dfy s ASP 336 Cb -0.21 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 3dfy s ASP 336 CO 0.10 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 3dfy n GLY 337 N 3.15 2.85 0.19 2.66 0.00 -1.26 -1.45 105.19 111.32 3dfy n GLY 337 Ca 0.09 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 13.42 1.19 -4.14 1.61 -0.04 -1.26 -4.87 135.00 140.90 3dfy n PRO 338 Ca 0.00 -0.38 -0.31 0.00 -0.04 0.00 0.00 63.50 62.77 3dfy n PRO 338 Cb 0.00 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.07 2.75 -0.07 0.54 0.52 -0.53 -0.76 118.95 119.33 3dfy s ARG 339 Ca 0.41 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 3dfy s ARG 339 Cb 0.21 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 33.04 3dfy s ARG 339 CO 0.37 0.58 -0.14 -1.64 0.02 0.00 0.00 175.30 174.49 3dfy s MET 340 N -2.09 1.85 0.28 3.54 -1.94 -0.09 -0.02 119.30 120.83 3dfy s MET 340 Ca 0.25 -0.48 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 3dfy s MET 340 Cb -0.12 -1.51 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 3dfy s MET 340 CO 0.17 0.07 0.12 1.03 -0.01 0.00 0.00 175.02 176.40 3dfy s ARG 341 N 0.56 1.50 0.24 2.03 0.52 -0.48 -1.41 118.95 121.91 3dfy s ARG 341 Ca -0.14 -1.84 0.10 0.00 -0.52 0.00 0.00 55.73 53.34 3dfy s ARG 341 Cb -0.15 -0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 3dfy s ARG 341 CO 0.04 -0.37 -0.13 0.54 0.02 0.00 0.00 175.30 175.41 3dfy s VAL 342 N -3.68 2.90 -2.83 3.52 0.11 -1.25 0.96 120.40 120.12 3dfy s VAL 342 Ca 0.36 -2.02 0.25 0.00 -2.93 0.00 0.00 61.98 57.64 3dfy s VAL 342 Cb 0.06 -2.49 0.31 0.00 -1.53 0.00 0.00 36.38 32.73 3dfy s VAL 342 CO 0.15 -0.27 1.42 1.17 -3.33 0.00 0.00 175.10 174.24