#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 4.41 -0.16 0.55 1.01 -0.65 -0.94 121.20 125.42 3dfy s ILE 4 Ca 0.00 1.73 0.15 0.00 0.00 0.00 0.00 60.65 62.53 3dfy s ILE 4 Cb 0.00 -4.11 -0.22 0.00 0.01 0.00 0.00 42.46 38.14 3dfy s ILE 4 CO 0.00 0.07 0.39 1.33 0.00 0.00 0.00 174.94 176.74 3dfy n VAL 5 N 4.22 0.00 -3.57 2.92 0.24 0.13 -0.13 118.33 122.14 3dfy n VAL 5 Ca 0.09 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 3dfy n VAL 5 Cb 0.48 0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 33.12 3dfy n VAL 5 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dfy s ASN 6 N -3.47 -0.53 -0.04 -1.34 2.47 -1.10 -4.93 114.94 106.01 3dfy s ASN 6 Ca -0.03 0.67 0.03 0.00 0.42 0.00 0.00 52.86 53.95 3dfy s ASN 6 Cb 0.10 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.47 3dfy s ASN 6 CO 0.63 -0.42 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.78 3dfy s VAL 7 N -0.86 1.01 -0.03 -5.21 1.01 -1.26 -1.14 120.40 113.91 3dfy s VAL 7 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3dfy s VAL 7 Cb -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3dfy s VAL 7 CO 0.04 0.31 -0.03 -0.75 0.00 0.00 0.00 175.10 174.67 3dfy s LYS 8 N 0.28 0.52 -0.13 2.72 2.20 -0.11 -4.84 119.74 120.39 3dfy s LYS 8 Ca -0.06 -0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 3dfy s LYS 8 Cb -0.11 -0.58 -0.03 0.00 -1.51 0.00 0.00 37.83 35.59 3dfy s LYS 8 CO 0.02 -0.05 0.01 -0.51 -0.36 0.00 0.00 175.35 174.46 3dfy s LEU 9 N 0.68 3.60 -0.02 5.43 1.02 -1.26 -0.91 118.68 127.22 3dfy s LEU 9 Ca -0.08 0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.17 3dfy s LEU 9 Cb -0.11 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.26 3dfy s LEU 9 CO -0.01 0.29 -0.02 -0.44 0.02 0.00 0.00 176.35 176.18 3dfy s SER 10 N -0.32 0.54 -0.06 2.29 0.01 -0.14 -4.95 113.70 111.07 3dfy s SER 10 Ca 0.07 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 3dfy s SER 10 Cb -0.12 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 3dfy s SER 10 CO 0.02 -0.03 1.18 -0.22 0.41 0.00 0.00 173.24 174.60 3dfy s LEU 11 N 0.55 4.28 -0.12 2.44 2.96 -1.26 -0.38 118.68 127.14 3dfy s LEU 11 Ca -0.06 1.79 0.01 0.00 -0.22 0.00 0.00 54.13 55.65 3dfy s LEU 11 Cb -0.09 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3dfy s LEU 11 CO -0.01 -0.56 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.79 3dfy s LYS 12 N 2.14 2.04 -0.13 1.98 -0.14 0.38 -4.94 119.74 121.07 3dfy s LYS 12 Ca 0.55 -0.47 -0.06 0.00 -1.36 0.00 0.00 55.97 54.63 3dfy s LYS 12 Cb -0.24 -1.88 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 3dfy s LYS 12 CO 0.22 -0.18 0.09 1.03 -0.76 0.00 0.00 175.35 175.74 3dfy s ARG 13 N 1.37 3.51 -0.10 1.68 0.52 -1.26 -0.54 118.95 124.13 3dfy s ARG 13 Ca 0.01 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 3dfy s ARG 13 Cb -0.13 -3.12 0.01 0.00 0.52 0.00 0.00 34.95 32.23 3dfy s ARG 13 CO -0.07 0.61 -0.14 0.71 0.02 0.00 0.00 175.30 176.43 3dfy s TYR 14 N -0.57 1.79 -0.02 -0.53 2.02 0.20 -4.98 117.35 115.28 3dfy s TYR 14 Ca 0.11 -0.79 -0.26 0.00 -0.37 0.00 0.00 57.07 55.76 3dfy s TYR 14 Cb -0.12 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3dfy s TYR 14 CO 0.02 -0.42 0.80 -2.00 -1.57 0.00 0.00 175.55 172.39 3dfy s GLU 15 N 0.93 4.49 0.73 -0.62 2.12 -1.26 -0.59 118.70 124.51 3dfy s GLU 15 Ca -0.08 1.09 -0.11 0.00 0.36 0.00 0.00 54.97 56.23 3dfy s GLU 15 Cb -0.15 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.84 3dfy s GLU 15 CO -0.00 0.08 1.07 0.71 -0.54 0.00 0.00 175.26 176.58 3dfy s TYR 16 N 0.65 3.01 -2.00 5.30 2.02 -1.26 -1.59 117.35 123.48 3dfy s TYR 16 Ca 0.42 1.34 0.13 0.00 -0.37 0.00 0.00 57.07 58.59 3dfy s TYR 16 Cb -0.19 -2.96 0.80 0.00 -0.40 0.00 0.00 41.96 39.20 3dfy s TYR 16 CO 0.22 -1.42 1.38 -1.91 -1.57 0.00 0.00 175.55 172.26 3dfy n GLU 17 N -3.24 0.83 -0.07 -0.62 4.07 -0.76 -4.83 120.64 116.02 3dfy n GLU 17 Ca 0.07 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.09 3dfy n GLU 17 Cb 0.54 -1.25 -0.15 0.00 -0.06 0.00 0.00 31.44 30.52 3dfy n GLU 17 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3dfy n SER 28 N -0.75 0.33 -3.51 4.31 3.41 -1.26 -5.10 113.62 111.05 3dfy n SER 28 Ca 0.10 0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.71 3dfy n SER 28 Cb 0.05 0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 64.57 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 -2.56 1.04 -0.21 4.33 2.12 -1.26 -4.78 118.70 117.37 3dfy s GLU 29 Ca -0.08 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.38 3dfy s GLU 29 Cb 0.07 0.49 0.05 0.00 0.26 0.00 0.00 34.13 35.00 3dfy s GLU 29 CO 0.83 -0.35 -0.07 0.45 -0.54 0.00 0.00 175.26 175.58 3dfy s SER 30 N -1.44 3.43 -0.42 -1.70 0.15 0.24 -4.94 113.70 109.02 3dfy s SER 30 Ca -0.08 -0.95 -0.13 0.00 0.70 0.00 0.00 55.95 55.49 3dfy s SER 30 Cb -0.00 -1.12 0.05 0.00 -1.71 0.00 0.00 66.02 63.24 3dfy s SER 30 CO 0.05 -0.20 0.30 -0.13 1.20 0.00 0.00 173.24 174.47 3dfy s ARG 31 N 1.47 2.89 0.40 5.44 0.52 -1.26 -0.62 118.95 127.78 3dfy s ARG 31 Ca -0.03 -1.20 0.08 0.00 -0.52 0.00 0.00 55.73 54.05 3dfy s ARG 31 Cb -0.17 -3.95 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 3dfy s ARG 31 CO -0.07 -0.86 0.21 -0.80 0.02 0.00 0.00 175.30 173.80 3dfy s ASN 32 N 2.01 4.58 -0.22 0.23 0.01 0.30 -4.68 114.94 117.17 3dfy s ASN 32 Ca 0.04 -0.97 0.02 0.00 -0.71 0.00 0.00 52.86 51.23 3dfy s ASN 32 Cb -0.21 -0.53 0.04 0.00 0.41 0.00 0.00 41.25 40.96 3dfy s ASN 32 CO 0.07 -0.53 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.29 3dfy s VAL 33 N -2.55 2.05 0.02 1.60 1.01 -0.23 -0.47 120.40 121.83 3dfy s VAL 33 Ca 0.42 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3dfy s VAL 33 Cb 0.02 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 3dfy s VAL 33 CO 0.24 0.22 0.59 -0.70 0.00 0.00 0.00 175.10 175.45 3dfy s GLU 34 N 1.22 4.29 -0.16 2.72 2.12 0.49 -0.30 118.70 129.07 3dfy s GLU 34 Ca -0.02 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 56.01 3dfy s GLU 34 Cb -0.17 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 3dfy s GLU 34 CO -0.09 0.44 -0.05 0.08 -0.54 0.00 0.00 175.26 175.10 3dfy s VAL 35 N -0.42 3.70 -0.14 3.70 1.01 0.48 -0.97 120.40 127.76 3dfy s VAL 35 Ca 0.31 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3dfy s VAL 35 Cb -0.19 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3dfy s VAL 35 CO 0.18 0.48 -0.21 -0.70 0.00 0.00 0.00 175.10 174.85 3dfy s GLU 36 N 0.56 3.04 -0.11 2.72 2.12 -0.09 -1.10 118.70 125.84 3dfy s GLU 36 Ca -0.04 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.46 3dfy s GLU 36 Cb -0.15 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.77 3dfy s GLU 36 CO 0.03 -0.01 -0.12 0.42 -0.54 0.00 0.00 175.26 175.03 3dfy s ILE 37 N 0.82 3.17 -0.13 -3.70 1.01 0.56 -0.94 121.20 121.99 3dfy s ILE 37 Ca -0.07 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.96 3dfy s ILE 37 Cb -0.15 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 3dfy s ILE 37 CO -0.02 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 3dfy s VAL 38 N 0.02 2.48 0.24 2.92 1.01 -0.29 -0.46 120.40 126.32 3dfy s VAL 38 Ca -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 3dfy s VAL 38 Cb -0.14 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3dfy s VAL 38 CO 0.04 0.54 0.45 -0.76 0.00 0.00 0.00 175.10 175.37 3dfy s LEU 39 N 0.57 4.16 0.62 3.92 1.02 0.19 0.19 118.68 129.36 3dfy s LEU 39 Ca -0.11 0.50 0.34 0.00 0.02 0.00 0.00 54.13 54.88 3dfy s LEU 39 Cb -0.16 -3.29 1.94 0.00 0.02 0.00 0.00 46.19 44.69 3dfy s LEU 39 CO 0.04 -0.11 2.20 1.05 0.02 0.00 0.00 176.35 179.55 3dfy h GLU 40 N 1.82 0.00 0.00 1.70 4.11 -1.36 0.25 114.58 121.09 3dfy h GLU 40 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3dfy h GLU 40 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3dfy h GLU 40 CO 0.67 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.62 3dfy n SER 41 N -3.48 0.00 0.00 3.06 3.41 -1.26 -4.88 113.62 110.47 3dfy n SER 41 Ca -0.01 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3dfy n SER 41 Cb 0.20 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 1.29 0.24 3.77 5.00 0.00 0.86 -5.05 105.19 111.30 3dfy n GLY 42 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.08 3.09 -0.04 1.61 1.01 -1.25 -4.77 120.40 117.96 3dfy s VAL 43 Ca 0.00 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.06 3dfy s VAL 43 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3dfy s VAL 43 CO 0.00 0.18 -0.22 -0.54 0.00 0.00 0.00 175.10 174.52 3dfy s LYS 44 N -1.93 2.07 0.01 2.72 1.02 -1.26 -0.64 119.74 121.74 3dfy s LYS 44 Ca 0.51 -0.79 0.08 0.00 0.02 0.00 0.00 55.97 55.79 3dfy s LYS 44 Cb -0.34 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.09 3dfy s LYS 44 CO 0.44 0.39 -0.23 0.20 -0.92 0.00 0.00 175.35 175.23 3dfy s GLY 45 N -0.26 1.41 0.02 -3.33 0.00 0.39 -4.60 107.32 100.96 3dfy s GLY 45 Ca 0.01 -1.16 0.06 0.00 0.00 0.00 0.00 44.72 43.63 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 -0.76 1.66 0.19 1.90 2.02 -1.26 -0.32 117.35 120.78 3dfy s TYR 46 Ca 0.12 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 3dfy s TYR 46 Cb -0.10 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 3dfy s TYR 46 CO 0.01 0.03 0.16 0.20 -1.57 0.00 0.00 175.55 174.39 3dfy s GLY 47 N -0.85 1.15 -0.03 0.71 0.00 -0.26 -4.08 107.32 103.96 3dfy s GLY 47 Ca 0.07 -1.48 -0.01 0.00 0.00 0.00 0.00 44.72 43.30 3dfy s GLY 47 CO 0.01 -1.26 0.05 1.85 0.00 0.00 0.00 173.10 173.75 3dfy s GLU 48 N -4.10 -0.01 -0.23 2.90 2.12 -1.26 -0.39 118.70 117.73 3dfy s GLU 48 Ca 0.32 0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.77 3dfy s GLU 48 Cb 0.06 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 3dfy s GLU 48 CO 0.08 -0.15 0.09 0.00 -0.54 0.00 0.00 175.26 174.74 3dfy s ALA 49 N 0.98 3.31 -0.60 6.30 0.00 0.58 -4.42 121.76 127.92 3dfy s ALA 49 Ca -0.08 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3dfy s ALA 49 Cb -0.11 -2.11 0.15 0.00 0.00 0.00 0.00 23.12 21.05 3dfy s ALA 49 CO -0.03 -0.29 0.38 0.45 0.00 0.00 0.00 175.76 176.27 3dfy s SER 50 N 1.25 4.81 0.95 0.00 0.15 -1.26 -1.06 113.70 118.53 3dfy s SER 50 Ca 0.05 -3.08 -0.11 0.00 0.70 0.00 0.00 55.95 53.52 3dfy s SER 50 Cb -0.14 -1.74 0.16 0.00 -1.71 0.00 0.00 66.02 62.59 3dfy s SER 50 CO 0.04 -0.27 1.11 -2.16 1.20 0.00 0.00 173.24 173.17 3dfy s PRO 51 N -0.38 0.76 -0.09 5.44 0.04 -1.26 -4.56 135.00 134.95 3dfy s PRO 51 Ca 0.18 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 3dfy s PRO 51 Cb -0.21 -1.71 0.05 0.00 0.04 0.00 0.00 34.50 32.67 3dfy s PRO 51 CO -0.03 -2.74 0.17 0.45 0.04 0.00 0.00 177.00 174.89 3dfy s SER 52 N -2.75 0.57 -0.03 6.66 0.15 -1.26 -4.86 113.70 112.18 3dfy s SER 52 Ca 0.66 0.37 -0.25 0.00 0.70 0.00 0.00 55.95 57.43 3dfy s SER 52 Cb -0.22 0.32 -0.21 0.00 -1.71 0.00 0.00 66.02 64.20 3dfy s SER 52 CO 0.59 -0.23 1.15 0.15 1.20 0.00 0.00 173.24 176.09 3dfy h PHE 53 N 8.19 0.17 -0.71 3.44 3.57 -1.85 -0.89 116.94 128.86 3dfy h PHE 53 Ca -0.17 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 3dfy h PHE 53 Cb 1.12 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 3dfy h PHE 53 CO 0.42 0.75 0.41 -0.09 -2.23 0.00 0.00 178.31 177.56 3dfy h ARG 54 N -0.46 0.98 0.04 1.11 2.43 -1.93 0.13 114.38 116.68 3dfy h ARG 54 Ca -0.01 -0.10 -0.30 0.00 -0.81 0.00 0.00 59.98 58.76 3dfy h ARG 54 Cb 0.76 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3dfy h ARG 54 CO 0.02 0.72 -1.64 0.28 -1.51 0.00 0.00 179.97 177.85 3dfy n VAL 55 N -4.51 1.62 0.71 0.20 0.31 -1.25 -4.59 118.33 110.82 3dfy n VAL 55 Ca 0.06 -0.27 0.07 0.00 -0.01 0.00 0.00 64.34 64.19 3dfy n VAL 55 Cb 0.08 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 3dfy n VAL 55 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dfy n ASN 56 N -4.08 0.96 -0.03 4.52 3.02 -0.50 -4.98 115.26 114.17 3dfy n ASN 56 Ca -0.34 -0.98 -0.00 0.00 -0.03 0.00 0.00 54.58 53.23 3dfy n ASN 56 Cb 0.83 0.85 -0.00 0.00 -0.61 0.00 0.00 39.78 40.85 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 1.30 0.44 3.85 7.41 0.00 0.47 -4.94 105.19 113.71 3dfy n GLY 57 Ca 0.04 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.55 3.91 -0.06 1.61 2.02 -0.68 -4.83 118.70 120.12 3dfy s GLU 58 Ca 0.00 0.92 0.02 0.00 0.02 0.00 0.00 54.97 55.94 3dfy s GLU 58 Cb 0.00 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 32.11 3dfy s GLU 58 CO 0.00 -0.30 -0.12 1.03 0.02 0.00 0.00 175.26 175.89 3dfy s ARG 59 N -4.18 1.57 0.44 1.61 1.81 -1.26 -2.98 118.95 115.95 3dfy s ARG 59 Ca 0.58 -0.40 0.11 0.00 -1.72 0.00 0.00 55.73 54.31 3dfy s ARG 59 Cb -0.10 -1.32 1.00 0.00 -0.45 0.00 0.00 34.95 34.07 3dfy s ARG 59 CO 0.34 0.05 2.05 -0.24 -0.68 0.00 0.00 175.30 176.81 3dfy h VAL 60 N 5.86 1.01 0.00 3.52 3.04 -1.95 -0.78 116.25 126.94 3dfy h VAL 60 Ca -0.32 -0.14 -0.09 0.00 -1.01 0.00 0.00 66.70 65.14 3dfy h VAL 60 Cb 1.18 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 3dfy h VAL 60 CO 0.48 0.07 -0.43 -0.33 -1.01 0.00 0.00 177.57 176.35 3dfy h GLU 61 N 0.40 0.00 -0.26 4.17 3.07 -1.98 -2.76 114.58 117.22 3dfy h GLU 61 Ca 0.17 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.91 3dfy h GLU 61 Cb 0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3dfy h GLU 61 CO -0.04 0.43 -0.30 0.00 -1.40 0.00 0.00 179.01 177.70 3dfy h ALA 62 N 1.57 0.39 -0.40 3.43 0.00 -1.57 -1.99 119.26 120.68 3dfy h ALA 62 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3dfy h ALA 62 Cb 0.80 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3dfy h ALA 62 CO 0.06 0.42 0.23 -0.07 0.00 0.00 0.00 179.25 179.89 3dfy h LEU 63 N 0.40 0.38 -0.93 0.00 4.07 -1.30 -2.63 115.31 115.29 3dfy h LEU 63 Ca 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 3dfy h LEU 63 Cb 0.88 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.50 3dfy h LEU 63 CO 0.07 0.27 0.40 -0.07 -1.08 0.00 0.00 178.44 178.03 3dfy h LEU 64 N 0.47 1.05 -2.03 1.67 3.38 -1.47 -2.76 115.31 115.63 3dfy h LEU 64 Ca 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dfy h LEU 64 Cb 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3dfy h LEU 64 CO -0.07 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.33 3dfy h ALA 65 N 1.28 1.00 -0.57 1.53 0.00 -0.97 -2.60 119.26 118.93 3dfy h ALA 65 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dfy h ALA 65 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dfy h ALA 65 CO -0.04 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.65 3dfy n ILE 66 N -2.77 1.35 -0.27 0.00 -5.35 -1.04 -4.65 119.36 106.63 3dfy n ILE 66 Ca -0.01 -1.13 0.02 0.00 -0.27 0.00 0.00 62.75 61.36 3dfy n ILE 66 Cb 0.13 0.33 0.09 0.00 -1.74 0.00 0.00 39.64 38.45 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 3.46 -0.00 -0.58 6.28 4.81 -1.56 -0.72 114.58 126.28 3dfy h GLU 67 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3dfy h GLU 67 Cb 1.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3dfy h GLU 67 CO 0.09 -0.00 0.35 -0.97 -0.73 0.00 0.00 179.01 177.75 3dfy h ASN 68 N -0.00 0.58 -0.72 1.04 -0.73 -1.86 -1.84 115.58 112.05 3dfy h ASN 68 Ca 0.37 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.55 3dfy h ASN 68 Cb 0.56 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.99 3dfy h ASN 68 CO -0.79 0.41 0.47 0.00 -0.37 0.00 0.00 177.43 177.14 3dfy h ALA 69 N 1.25 0.92 -0.73 1.57 0.00 -1.50 -1.56 119.26 119.21 3dfy h ALA 69 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3dfy h ALA 69 Cb 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3dfy h ALA 69 CO -0.09 0.29 0.34 0.28 0.00 0.00 0.00 179.25 180.07 3dfy h VAL 70 N 0.94 1.24 -0.59 0.00 2.07 -0.93 -1.46 116.25 117.52 3dfy h VAL 70 Ca 0.27 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3dfy h VAL 70 Cb -0.06 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3dfy h VAL 70 CO -0.08 0.29 0.10 -0.09 0.02 0.00 0.00 177.57 177.81 3dfy h ARG 71 N 1.03 0.98 0.00 1.57 2.43 -0.94 -2.51 114.38 116.94 3dfy h ARG 71 Ca 0.25 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3dfy h ARG 71 Cb 0.14 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3dfy h ARG 71 CO -0.03 0.92 -0.28 1.49 -1.51 0.00 0.00 179.97 180.57 3dfy h GLU 72 N 0.88 0.00 -0.34 0.20 4.22 -1.03 -1.44 114.58 117.08 3dfy h GLU 72 Ca 0.18 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.48 3dfy h GLU 72 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3dfy h GLU 72 CO 0.01 0.28 -0.34 0.52 -2.18 0.00 0.00 179.01 177.30 3dfy h MET 73 N 0.00 0.75 0.00 1.92 2.86 -0.82 -3.38 114.93 116.26 3dfy h MET 73 Ca -0.00 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3dfy h MET 73 Cb 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3dfy h MET 73 CO 0.04 0.97 0.00 0.44 1.06 0.00 0.00 176.91 179.42 3dfy n ILE 74 N -4.07 0.00 -1.96 -1.22 -5.35 -1.15 -5.01 119.36 100.60 3dfy n ILE 74 Ca -0.01 -0.43 -0.41 0.00 -0.27 0.00 0.00 62.75 61.62 3dfy n ILE 74 Cb 0.50 1.08 -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 -0.35 2.52 0.00 7.28 2.01 -0.55 -2.44 115.64 124.11 3dfy s THR 75 Ca 0.00 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.44 3dfy s THR 75 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3dfy s THR 75 CO 0.00 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 3dfy n GLY 76 N 2.23 0.64 3.78 4.40 0.00 0.82 -4.95 105.19 112.11 3dfy n GLY 76 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.23 4.99 0.16 -0.61 1.01 -1.02 -4.63 121.20 118.86 3dfy s ILE 77 Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 3dfy s ILE 77 Cb 0.00 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 3dfy s ILE 77 CO 0.00 0.45 1.15 -0.62 0.00 0.00 0.00 174.94 175.93 3dfy s ASP 78 N -0.31 7.16 0.19 3.58 -1.08 -1.26 -1.64 116.67 123.32 3dfy s ASP 78 Ca 0.27 2.13 0.20 0.00 -0.52 0.00 0.00 52.55 54.63 3dfy s ASP 78 Cb -0.17 -2.60 0.86 0.00 -1.46 0.00 0.00 42.92 39.55 3dfy s ASP 78 CO 0.14 -0.33 1.61 1.33 0.52 0.00 0.00 175.17 178.44 3dfy n VAL 79 N 2.72 0.96 0.55 1.11 0.24 -1.26 -1.31 118.33 121.34 3dfy n VAL 79 Ca 0.04 0.31 0.12 0.00 -2.04 0.00 0.00 64.34 62.78 3dfy n VAL 79 Cb 0.46 -1.22 0.45 0.00 -1.47 0.00 0.00 33.84 32.06 3dfy n VAL 79 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3dfy n ARG 80 N -2.02 0.16 -1.77 7.34 1.85 -1.26 -1.82 116.66 119.14 3dfy n ARG 80 Ca 0.02 0.29 -0.34 0.00 -1.00 0.00 0.00 57.85 56.82 3dfy n ARG 80 Cb 0.18 -1.75 0.05 0.00 -1.05 0.00 0.00 32.46 29.88 3dfy n ARG 80 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dfy n ASN 81 N -2.05 6.82 0.26 2.89 3.02 -0.43 -4.79 115.26 120.98 3dfy n ASN 81 Ca 0.04 -3.79 0.17 0.00 -0.03 0.00 0.00 54.58 50.97 3dfy n ASN 81 Cb 0.29 -0.83 0.90 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.41 0.00 0.00 3.10 -0.00 -1.51 -0.21 116.97 120.76 3dfy h TYR 82 Ca 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.20 3dfy h TYR 82 Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.43 3dfy h TYR 82 CO 1.18 0.00 -0.23 0.00 -0.00 0.00 0.00 178.16 179.12 3dfy h ALA 83 N 1.83 1.37 -0.26 0.10 0.00 -1.88 -0.23 119.26 120.18 3dfy h ALA 83 Ca 0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3dfy h ALA 83 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dfy h ALA 83 CO -0.00 0.29 -0.40 0.00 0.00 0.00 0.00 179.25 179.14 3dfy h ARG 84 N 0.00 0.72 -0.65 0.00 3.08 -1.42 -1.68 114.38 114.44 3dfy h ARG 84 Ca -0.00 -0.43 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 3dfy h ARG 84 Cb 0.48 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3dfy h ARG 84 CO 0.03 1.06 0.09 0.82 -1.07 0.00 0.00 179.97 180.89 3dfy h ILE 85 N 0.45 1.26 -0.29 2.04 2.04 -1.42 -1.66 117.51 119.94 3dfy h ILE 85 Ca 0.02 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.84 3dfy h ILE 85 Cb 0.99 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3dfy h ILE 85 CO 0.09 0.39 0.18 -0.26 0.00 0.00 0.00 178.15 178.56 3dfy h PHE 86 N 1.00 0.35 -0.71 1.37 -1.00 -0.96 0.73 116.94 117.71 3dfy h PHE 86 Ca 0.20 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.93 3dfy h PHE 86 Cb 0.45 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 3dfy h PHE 86 CO 0.03 0.22 0.23 1.49 -1.61 0.00 0.00 178.31 178.67 3dfy h GLU 87 N 0.38 1.10 -0.24 1.51 4.81 -1.08 -1.84 114.58 119.21 3dfy h GLU 87 Ca 0.11 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3dfy h GLU 87 Cb -0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3dfy h GLU 87 CO -0.03 0.94 0.06 0.82 -0.73 0.00 0.00 179.01 180.07 3dfy h ILE 88 N 1.05 1.21 0.00 2.32 2.04 -0.99 -2.89 117.51 120.25 3dfy h ILE 88 Ca 0.23 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3dfy h ILE 88 Cb 0.29 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3dfy h ILE 88 CO -0.01 0.22 0.00 0.35 0.00 0.00 0.00 178.15 178.71 3dfy n THR 89 N -4.72 0.82 0.34 -0.27 -2.24 0.22 -2.07 114.28 106.35 3dfy n THR 89 Ca -0.03 0.18 0.15 0.00 -2.27 0.00 0.00 64.05 62.08 3dfy n THR 89 Cb 0.18 -0.99 0.61 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.77 3.42 3.32 -1.11 -1.32 116.42 121.51 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 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 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 -2.63 0.19 -0.89 3.56 1.74 -0.88 -3.04 116.66 114.71 3dfy n ARG 91 Ca 0.01 0.40 -0.16 0.00 -0.77 0.00 0.00 57.85 57.33 3dfy n ARG 91 Cb 0.25 -1.85 0.02 0.00 -1.02 0.00 0.00 32.46 29.86 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 -2.20 6.34 0.11 0.55 4.77 -0.50 -4.51 117.00 121.56 3dfy n LEU 92 Ca 0.02 -3.26 0.10 0.00 -0.03 0.00 0.00 56.01 52.84 3dfy n LEU 92 Cb 0.24 -1.08 0.45 0.00 -2.33 0.00 0.00 43.42 40.70 3dfy n LEU 92 CO 0.20 1.25 0.79 2.22 -1.33 0.00 0.00 177.39 180.52 3dfy n PHE 93 N 0.54 0.60 1.12 -1.77 1.16 -1.17 -0.57 117.46 117.36 3dfy n PHE 93 Ca 0.28 0.27 0.12 0.00 -1.87 0.00 0.00 57.45 56.26 3dfy n PHE 93 Cb 0.57 -0.93 0.31 0.00 -1.61 0.00 0.00 39.48 37.82 3dfy n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dfy n GLY 94 N -0.63 -0.96 2.48 4.97 0.00 -1.26 -4.09 105.19 105.70 3dfy n GLY 94 Ca 0.01 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.11 1.45 -0.33 1.61 3.72 0.26 -4.76 117.46 118.31 3dfy n PHE 95 Ca 0.09 -3.46 0.17 0.00 -0.05 0.00 0.00 57.45 54.20 3dfy n PHE 95 Cb 0.34 -0.38 0.40 0.00 -0.94 0.00 0.00 39.48 38.90 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 2.95 0.58 -0.32 -1.08 0.13 -1.68 -0.99 132.00 131.60 3dfy h PRO 96 Ca 0.07 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 3dfy h PRO 96 Cb 0.95 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3dfy h PRO 96 CO 0.59 0.39 -0.08 0.66 -0.23 0.00 0.00 178.00 179.33 3dfy h SER 97 N 0.60 0.51 0.53 1.44 4.64 -1.83 0.39 113.55 119.83 3dfy h SER 97 Ca 0.58 -0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 61.59 3dfy h SER 97 Cb 1.13 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3dfy h SER 97 CO -0.36 0.63 -0.85 0.25 -0.87 0.00 0.00 176.83 175.63 3dfy h LEU 98 N 0.50 0.29 -0.36 5.97 5.85 -1.59 -1.93 115.31 124.04 3dfy h LEU 98 Ca 0.10 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3dfy h LEU 98 Cb 0.44 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3dfy h LEU 98 CO 0.02 1.01 0.23 0.50 -0.34 0.00 0.00 178.44 179.86 3dfy h LYS 99 N 0.13 0.49 0.07 1.25 3.64 -0.46 -0.90 116.57 120.79 3dfy h LYS 99 Ca -0.04 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3dfy h LYS 99 Cb 1.47 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3dfy h LYS 99 CO 0.13 0.35 -0.05 0.00 -2.27 0.00 0.00 179.45 177.62 3dfy h ALA 100 N 1.11 -0.11 -0.20 5.00 0.00 -0.80 -1.79 119.26 122.47 3dfy h ALA 100 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dfy h ALA 100 Cb -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dfy h ALA 100 CO -0.03 -0.56 0.01 0.00 0.00 0.00 0.00 179.25 178.67 3dfy h ALA 101 N 0.81 0.18 -0.52 0.00 0.00 -1.11 -0.17 119.26 118.46 3dfy h ALA 101 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dfy h ALA 101 Cb 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dfy h ALA 101 CO 0.00 -0.42 0.19 0.28 0.00 0.00 0.00 179.25 179.30 3dfy h VAL 102 N 0.08 1.22 -0.66 0.00 2.07 -1.12 0.68 116.25 118.52 3dfy h VAL 102 Ca 0.09 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3dfy h VAL 102 Cb 0.11 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3dfy h VAL 102 CO -0.15 0.27 0.14 1.56 0.02 0.00 0.00 177.57 179.41 3dfy h GLN 103 N 0.70 1.07 -0.24 1.57 4.20 -1.11 -0.48 115.11 120.82 3dfy h GLN 103 Ca 0.17 -0.27 -0.17 0.00 0.06 0.00 0.00 58.65 58.45 3dfy h GLN 103 Cb 0.23 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3dfy h GLN 103 CO -0.01 0.96 -0.50 0.35 -0.67 0.00 0.00 178.83 178.96 3dfy h PHE 104 N 0.99 0.97 -0.73 2.96 3.57 -0.89 -2.21 116.94 121.60 3dfy h PHE 104 Ca 0.20 -0.36 0.05 0.00 3.53 0.00 0.00 57.97 61.40 3dfy h PHE 104 Cb 0.39 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3dfy h PHE 104 CO 0.03 1.16 0.48 0.00 -2.23 0.00 0.00 178.31 177.75 3dfy h ALA 105 N 0.64 1.64 -0.58 2.41 0.00 -0.69 0.48 119.26 123.17 3dfy h ALA 105 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3dfy h ALA 105 Cb 1.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3dfy h ALA 105 CO 0.11 0.26 0.22 1.15 0.00 0.00 0.00 179.25 180.99 3dfy h THR 106 N 0.82 1.23 -0.07 0.00 2.02 -0.81 -0.55 112.91 115.55 3dfy h THR 106 Ca 0.31 -0.73 -0.16 0.00 0.77 0.00 0.00 66.41 66.59 3dfy h THR 106 Cb 0.18 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3dfy h THR 106 CO -0.10 0.28 -0.67 -0.07 0.37 0.00 0.00 175.52 175.33 3dfy h LEU 107 N 0.81 0.34 -0.36 2.58 3.38 -0.45 -1.21 115.31 120.40 3dfy h LEU 107 Ca 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dfy h LEU 107 Cb 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dfy h LEU 107 CO -0.01 0.91 0.21 -0.78 0.09 0.00 0.00 178.44 178.86 3dfy h ASP 108 N 0.21 0.44 -0.40 -0.43 3.58 0.22 0.60 116.42 120.63 3dfy h ASP 108 Ca -0.02 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.24 3dfy h ASP 108 Cb 1.21 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 3dfy h ASP 108 CO 0.11 0.37 -0.24 0.00 -2.88 0.00 0.00 179.24 176.60 3dfy h ALA 109 N 1.08 0.57 0.12 -0.78 0.00 -1.04 -3.08 119.26 116.14 3dfy h ALA 109 Ca 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3dfy h ALA 109 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3dfy h ALA 109 CO -0.02 0.57 -0.06 1.25 0.00 0.00 0.00 179.25 180.99 3dfy h LEU 110 N 0.69 -0.13 -1.88 0.00 5.85 -0.92 -2.66 115.31 116.26 3dfy h LEU 110 Ca 0.08 -0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.89 3dfy h LEU 110 Cb 0.81 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3dfy h LEU 110 CO 0.07 -0.03 0.40 0.77 -0.34 0.00 0.00 178.44 179.31 3dfy h SER 111 N -0.23 0.11 -0.15 1.25 4.64 -0.92 -1.13 113.55 117.13 3dfy h SER 111 Ca -0.02 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3dfy h SER 111 Cb 0.18 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3dfy h SER 111 CO 0.03 0.06 -0.18 1.56 -0.87 0.00 0.00 176.83 177.43 3dfy h GLN 112 N 0.12 0.38 0.00 4.77 4.20 -1.39 0.12 115.11 123.32 3dfy h GLN 112 Ca 0.27 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3dfy h GLN 112 Cb 0.91 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3dfy h GLN 112 CO -0.03 0.78 0.00 0.93 -0.67 0.00 0.00 178.83 179.84 3dfy h GLU 113 N 0.01 0.00 -0.01 1.46 5.08 -0.95 -1.17 114.58 119.00 3dfy h GLU 113 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3dfy h GLU 113 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3dfy h GLU 113 CO 0.04 0.00 -0.51 1.28 -1.00 0.00 0.00 179.01 178.82 3dfy n LEU 114 N -2.60 1.55 -0.81 1.33 4.77 -0.62 -4.98 117.00 115.64 3dfy n LEU 114 Ca 0.00 -0.56 -0.06 0.00 -0.03 0.00 0.00 56.01 55.36 3dfy n LEU 114 Cb 0.18 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3dfy n LEU 114 CO 0.20 0.30 -0.06 0.61 -1.33 0.00 0.00 177.39 177.11 3dfy n GLY 115 N 1.42 0.16 0.00 -0.72 0.00 -0.44 -5.02 105.19 100.59 3dfy n GLY 115 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3dfy n GLY 115 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dfy n THR 116 N -3.91 0.00 -4.33 2.61 5.66 0.33 -5.03 114.28 109.61 3dfy n THR 116 Ca -0.06 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.74 3dfy n THR 116 Cb 0.55 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.23 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 0.77 1.29 0.15 1.09 -0.21 -1.26 -4.13 119.66 117.35 3dfy s GLN 117 Ca 0.00 -1.49 -0.18 0.00 0.02 0.00 0.00 55.36 53.71 3dfy s GLN 117 Cb 0.00 -1.20 0.05 0.00 1.00 0.00 0.00 33.01 32.86 3dfy s GLN 117 CO 0.00 0.22 1.68 0.28 -2.12 0.00 0.00 175.29 175.35 3dfy h VAL 118 N 2.91 0.66 -0.97 1.09 2.07 -1.92 -0.77 116.25 119.33 3dfy h VAL 118 Ca -0.40 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.30 3dfy h VAL 118 Cb 1.21 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 3dfy h VAL 118 CO 0.57 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.76 3dfy h TYR 120 N 0.70 0.62 -0.53 0.00 0.05 -1.69 0.73 116.97 116.85 3dfy h TYR 120 Ca 0.52 -0.31 0.04 0.00 0.05 0.00 0.00 58.73 59.03 3dfy h TYR 120 Cb 0.89 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.52 3dfy h TYR 120 CO -0.00 1.11 0.35 1.25 -1.05 0.00 0.00 178.16 179.82 3dfy h LEU 121 N 0.26 0.49 -0.93 3.88 5.85 0.55 -0.85 115.31 124.57 3dfy h LEU 121 Ca -0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3dfy h LEU 121 Cb 1.48 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3dfy h LEU 121 CO 0.15 0.33 0.00 0.18 -0.34 0.00 0.00 178.44 178.76 3dfy n LEU 122 N -4.47 1.41 0.00 2.25 4.77 0.10 -4.90 117.00 116.16 3dfy n LEU 122 Ca 0.06 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3dfy n LEU 122 Cb 0.17 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3dfy n LEU 122 CO 0.35 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3dfy n GLY 123 N 1.09 1.53 4.03 -0.72 0.00 -0.32 -4.01 105.19 106.79 3dfy n GLY 123 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.43 0.25 -0.02 0.00 0.23 -4.88 105.19 100.34 3dfy n GLY 124 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.81 0.82 -5.96 1.61 1.63 -1.16 -3.46 116.57 108.24 3dfy h LYS 125 Ca -0.59 -0.22 -0.52 0.00 -0.85 0.00 0.00 60.65 58.47 3dfy h LYS 125 Cb 1.38 -0.10 -0.20 0.00 -0.60 0.00 0.00 32.23 32.71 3dfy h LYS 125 CO 0.70 0.82 -0.80 1.03 -3.45 0.00 0.00 179.45 177.75 3dfy s ARG 126 N -5.20 1.13 0.00 1.90 0.52 -0.31 -4.96 118.95 112.02 3dfy s ARG 126 Ca -0.13 -1.22 0.22 0.00 -0.52 0.00 0.00 55.73 54.09 3dfy s ARG 126 Cb 0.11 -1.28 -0.28 0.00 0.52 0.00 0.00 34.95 34.03 3dfy s ARG 126 CO 0.80 0.28 0.60 -0.25 0.02 0.00 0.00 175.30 176.76 3dfy n ASP 127 N 0.84 0.21 -3.75 0.23 8.00 -1.26 -4.62 116.55 116.19 3dfy n ASP 127 Ca -0.18 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.12 3dfy n ASP 127 Cb 0.55 1.69 -0.09 0.00 -0.02 0.00 0.00 41.12 43.25 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 -3.44 0.63 0.08 -1.24 2.12 -1.26 -3.79 118.70 111.80 3dfy s GLU 128 Ca -0.05 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.26 3dfy s GLU 128 Cb 0.14 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.77 3dfy s GLU 128 CO 0.89 -0.16 -0.07 0.96 -0.54 0.00 0.00 175.26 176.34 3dfy s ILE 129 N -1.01 0.64 -0.08 -3.70 -4.36 -0.52 -4.98 121.20 107.20 3dfy s ILE 129 Ca -0.11 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.58 3dfy s ILE 129 Cb -0.04 -1.44 -0.00 0.00 1.25 0.00 0.00 42.46 42.22 3dfy s ILE 129 CO 0.04 -0.77 -0.22 -0.70 0.24 0.00 0.00 174.94 173.53 3dfy s GLU 130 N -3.34 2.60 0.20 0.37 2.12 -1.26 -0.65 118.70 118.74 3dfy s GLU 130 Ca 0.07 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 54.67 3dfy s GLU 130 Cb 0.02 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 32.32 3dfy s GLU 130 CO -0.04 0.20 0.18 -0.08 -0.54 0.00 0.00 175.26 174.99 3dfy s THR 131 N 0.26 4.59 0.18 -1.70 -1.32 0.48 -3.81 115.64 114.31 3dfy s THR 131 Ca -0.14 -1.16 -0.00 0.00 -1.21 0.00 0.00 61.69 59.18 3dfy s THR 131 Cb -0.16 -3.40 0.04 0.00 -1.51 0.00 0.00 72.50 67.46 3dfy s THR 131 CO 0.06 -0.21 0.24 -0.90 -2.21 0.00 0.00 174.62 171.61 3dfy n ASP 132 N -0.73 0.30 -3.85 8.08 5.68 -0.16 -4.77 116.55 121.09 3dfy n ASP 132 Ca -0.08 -1.26 -0.12 0.00 -0.50 0.00 0.00 54.79 52.83 3dfy n ASP 132 Cb 0.56 -0.16 -0.12 0.00 -1.14 0.00 0.00 41.12 40.26 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 -3.08 0.24 0.01 0.11 2.20 -1.12 -4.50 119.74 113.59 3dfy s LYS 133 Ca 0.16 -0.03 -0.19 0.00 -0.36 0.00 0.00 55.97 55.55 3dfy s LYS 133 Cb -0.01 0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 36.36 3dfy s LYS 133 CO 0.11 -0.04 0.55 0.99 -0.36 0.00 0.00 175.35 176.59 3dfy s THR 134 N -0.40 4.89 -0.47 3.43 2.01 -1.26 -2.23 115.64 121.60 3dfy s THR 134 Ca -0.05 1.16 -0.11 0.00 0.31 0.00 0.00 61.69 63.00 3dfy s THR 134 Cb -0.03 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.71 3dfy s THR 134 CO 0.00 0.48 0.36 -0.69 -0.69 0.00 0.00 174.62 174.08 3dfy s VAL 135 N -0.56 4.47 1.27 3.82 1.01 0.25 -4.97 120.40 125.69 3dfy s VAL 135 Ca 0.29 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 3dfy s VAL 135 Cb -0.18 -3.86 0.31 0.00 0.00 0.00 0.00 36.38 32.65 3dfy s VAL 135 CO 0.17 -0.72 1.05 -0.83 0.00 0.00 0.00 175.10 174.76 3dfy s GLY 136 N 2.71 1.52 -0.04 4.51 0.00 -1.26 -2.52 107.32 112.24 3dfy s GLY 136 Ca 0.04 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 3dfy s GLY 136 CO 0.01 0.05 0.95 -0.42 0.00 0.00 0.00 173.10 173.70 3dfy s ILE 137 N -2.74 4.86 0.06 0.90 1.01 -1.26 -4.76 121.20 119.28 3dfy s ILE 137 Ca 0.70 1.97 -0.04 0.00 0.00 0.00 0.00 60.65 63.29 3dfy s ILE 137 Cb -0.12 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.09 3dfy s ILE 137 CO 0.57 0.12 0.19 -0.67 0.00 0.00 0.00 174.94 175.15 3dfy n ASP 138 N 4.26 -0.41 -4.73 3.58 -0.08 -1.26 -5.06 116.55 112.85 3dfy n ASP 138 Ca 0.06 -1.25 -0.35 0.00 -1.51 0.00 0.00 54.79 51.74 3dfy n ASP 138 Cb 0.50 0.67 0.08 0.00 2.34 0.00 0.00 41.12 44.72 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 -2.63 2.34 0.25 5.18 -4.23 -1.26 -4.72 115.64 110.57 3dfy s THR 139 Ca 0.04 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 3dfy s THR 139 Cb -0.01 -2.80 0.22 0.00 1.34 0.00 0.00 72.50 71.26 3dfy s THR 139 CO 0.02 -0.08 1.74 0.58 -0.54 0.00 0.00 174.62 176.33 3dfy h VAL 140 N -0.11 0.68 -0.47 2.29 2.07 -2.00 -0.83 116.25 117.88 3dfy h VAL 140 Ca -0.48 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3dfy h VAL 140 Cb 1.30 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3dfy h VAL 140 CO 0.51 0.09 0.01 1.05 0.02 0.00 0.00 177.57 179.24 3dfy h GLU 141 N 0.50 0.77 -0.18 1.57 4.11 -2.00 -2.17 114.58 117.18 3dfy h GLU 141 Ca 0.43 -0.20 -0.14 0.00 0.07 0.00 0.00 59.36 59.51 3dfy h GLU 141 Cb 0.64 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3dfy h GLU 141 CO -0.39 0.78 -0.50 -0.91 0.07 0.00 0.00 179.01 178.06 3dfy h ASN 142 N 0.72 0.53 -0.46 3.06 2.35 -1.59 -2.15 115.58 118.05 3dfy h ASN 142 Ca 0.14 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 3dfy h ASN 142 Cb 0.43 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3dfy h ASN 142 CO 0.02 0.94 0.05 0.03 -1.65 0.00 0.00 177.43 176.81 3dfy h ARG 143 N 0.38 0.84 -0.32 0.81 3.08 -0.89 -1.16 114.38 117.12 3dfy h ARG 143 Ca 0.02 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 3dfy h ARG 143 Cb 1.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3dfy h ARG 143 CO 0.09 0.82 -0.39 0.28 -1.07 0.00 0.00 179.97 179.69 3dfy h VAL 144 N 0.79 1.28 -0.33 2.04 2.07 -1.22 -0.57 116.25 120.31 3dfy h VAL 144 Ca 0.16 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 3dfy h VAL 144 Cb 0.41 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3dfy h VAL 144 CO 0.01 0.51 -0.02 0.50 0.02 0.00 0.00 177.57 178.59 3dfy h LYS 145 N 0.64 0.60 0.08 1.57 3.11 -1.13 -0.60 116.57 120.83 3dfy h LYS 145 Ca 0.05 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 3dfy h LYS 145 Cb 0.95 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 3dfy h LYS 145 CO 0.09 0.74 -0.07 1.49 -2.81 0.00 0.00 179.45 178.89 3dfy h GLU 146 N 0.39 -0.15 -0.56 1.90 4.81 -1.12 -0.17 114.58 119.68 3dfy h GLU 146 Ca 0.09 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3dfy h GLU 146 Cb 0.48 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 3dfy h GLU 146 CO 0.02 -0.10 0.34 0.00 -0.73 0.00 0.00 179.01 178.54 3dfy h ALA 147 N 0.76 0.72 -0.66 2.92 0.00 -1.02 -0.62 119.26 121.37 3dfy h ALA 147 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dfy h ALA 147 Cb 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3dfy h ALA 147 CO -0.01 0.07 0.41 -0.22 0.00 0.00 0.00 179.25 179.49 3dfy h LYS 148 N 0.68 0.78 -0.71 0.00 3.64 -0.77 0.29 116.57 120.47 3dfy h LYS 148 Ca 0.23 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3dfy h LYS 148 Cb 0.02 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3dfy h LYS 148 CO -0.10 0.52 0.22 -0.22 -2.27 0.00 0.00 179.45 177.60 3dfy h LYS 149 N 0.81 1.11 -0.65 1.90 3.64 -0.48 -2.13 116.57 120.76 3dfy h LYS 149 Ca 0.26 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3dfy h LYS 149 Cb 0.01 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3dfy h LYS 149 CO -0.10 0.95 0.22 0.82 -2.27 0.00 0.00 179.45 179.07 3dfy h ILE 150 N 1.05 1.25 -0.62 2.00 2.04 -0.37 -2.42 117.51 120.44 3dfy h ILE 150 Ca 0.23 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3dfy h ILE 150 Cb 0.31 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3dfy h ILE 150 CO -0.01 0.32 0.28 0.15 0.00 0.00 0.00 178.15 178.89 3dfy h PHE 151 N 0.93 0.91 0.00 1.37 3.57 -0.69 -2.40 116.94 120.63 3dfy h PHE 151 Ca 0.21 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3dfy h PHE 151 Cb 0.27 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3dfy h PHE 151 CO 0.02 0.70 0.00 1.05 -2.23 0.00 0.00 178.31 177.85 3dfy h GLU 152 N 0.85 0.00 0.00 1.11 4.11 -1.23 -1.83 114.58 117.60 3dfy h GLU 152 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3dfy h GLU 152 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dfy h GLU 152 CO -0.02 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.45 3dfy n GLU 153 N -3.03 0.72 0.00 1.06 1.02 -0.92 -4.89 120.64 114.60 3dfy n GLU 153 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3dfy n GLU 153 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.11 0.52 3.74 0.62 0.00 -0.69 -4.75 105.19 105.74 3dfy n GLY 154 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3dfy n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfy s PHE 155 N -2.00 3.53 -0.16 1.61 0.08 -1.10 -4.75 117.98 115.18 3dfy s PHE 155 Ca 0.00 1.53 0.02 0.00 0.12 0.00 0.00 56.93 58.60 3dfy s PHE 155 Cb 0.00 -3.34 0.06 0.00 -0.57 0.00 0.00 43.02 39.18 3dfy s PHE 155 CO 0.00 -0.84 1.05 0.54 -0.10 0.00 0.00 175.22 175.87 3dfy n ARG 156 N 2.48 2.94 -3.77 0.44 5.12 -1.26 -4.48 116.66 118.12 3dfy n ARG 156 Ca 0.03 -1.63 -0.24 0.00 -1.93 0.00 0.00 57.85 54.09 3dfy n ARG 156 Cb 0.46 -1.06 -0.17 0.00 -1.16 0.00 0.00 32.46 30.52 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 -1.05 0.42 -0.17 1.55 1.01 -1.26 -0.64 120.40 120.25 3dfy s VAL 157 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3dfy s VAL 157 Cb 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.83 3dfy s VAL 157 CO 0.03 0.21 -0.15 -0.63 0.00 0.00 0.00 175.10 174.56 3dfy s ILE 158 N 1.95 1.78 -0.13 2.22 1.01 -0.29 -2.80 121.20 124.94 3dfy s ILE 158 Ca 0.04 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 3dfy s ILE 158 Cb -0.13 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3dfy s ILE 158 CO -0.06 0.41 0.71 -0.75 0.00 0.00 0.00 174.94 175.25 3dfy s LYS 159 N 1.38 4.33 -0.21 2.79 2.20 -0.95 -2.02 119.74 127.26 3dfy s LYS 159 Ca 0.03 0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 56.44 3dfy s LYS 159 Cb -0.14 -3.52 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3dfy s LYS 159 CO -0.11 -0.12 -0.08 0.42 -0.36 0.00 0.00 175.35 175.10 3dfy s ILE 160 N 1.47 3.09 0.02 5.43 1.01 0.15 -0.59 121.20 131.79 3dfy s ILE 160 Ca 0.35 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 3dfy s ILE 160 Cb -0.17 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 3dfy s ILE 160 CO 0.14 0.45 0.74 -0.54 0.00 0.00 0.00 174.94 175.73 3dfy s LYS 161 N 1.41 4.46 0.00 2.79 1.02 -1.05 -1.50 119.74 126.88 3dfy s LYS 161 Ca 0.05 1.00 0.00 0.00 0.02 0.00 0.00 55.97 57.04 3dfy s LYS 161 Cb -0.14 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 3dfy s LYS 161 CO -0.05 0.26 0.00 1.33 -0.92 0.00 0.00 175.35 175.97 3dfy n VAL 162 N 2.94 0.00 0.00 3.17 0.24 -0.56 -4.49 118.33 119.64 3dfy n VAL 162 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3dfy n VAL 162 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 1.48 0.03 7.63 0.00 -1.26 -4.28 105.19 108.79 3dfy n GLY 163 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.40 0.66 -3.35 1.61 1.02 -1.26 -4.40 120.64 114.52 3dfy n GLU 164 Ca 0.00 -0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 56.84 3dfy n GLU 164 Cb 0.00 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.82 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 -4.72 0.98 0.20 1.62 3.84 -1.26 -5.04 114.94 110.56 3dfy s ASN 165 Ca -0.08 -1.11 -0.21 0.00 0.21 0.00 0.00 52.86 51.67 3dfy s ASN 165 Cb 0.12 0.73 0.15 0.00 -0.55 0.00 0.00 41.25 41.71 3dfy s ASN 165 CO 0.89 -0.30 1.57 0.25 -2.79 0.00 0.00 177.10 176.72 3dfy h LEU 166 N 7.55 -1.32 -0.20 3.21 5.85 -1.98 0.64 115.31 129.05 3dfy h LEU 166 Ca -0.02 0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3dfy h LEU 166 Cb 1.08 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 3dfy h LEU 166 CO 0.24 -0.30 0.12 0.50 -0.34 0.00 0.00 178.44 178.66 3dfy h LYS 167 N -0.11 0.24 -0.27 1.25 3.64 -2.00 -0.85 116.57 118.48 3dfy h LYS 167 Ca 0.26 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3dfy h LYS 167 Cb 0.57 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3dfy h LYS 167 CO -0.79 0.16 -0.30 0.93 -2.27 0.00 0.00 179.45 177.18 3dfy h GLU 168 N 0.25 0.54 -0.98 1.90 5.08 -1.78 -2.62 114.58 116.97 3dfy h GLU 168 Ca 0.08 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3dfy h GLU 168 Cb -0.01 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3dfy h GLU 168 CO -0.03 0.78 0.64 -0.44 -1.00 0.00 0.00 179.01 178.97 3dfy h ASP 169 N 0.47 1.13 -0.33 1.42 3.32 0.72 0.33 116.42 123.49 3dfy h ASP 169 Ca 0.06 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3dfy h ASP 169 Cb 0.75 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3dfy h ASP 169 CO 0.06 0.83 -0.03 0.40 -1.72 0.00 0.00 179.24 178.78 3dfy h ILE 170 N 1.34 1.27 -0.48 0.35 2.04 -0.97 -2.42 117.51 118.64 3dfy h ILE 170 Ca 0.36 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3dfy h ILE 170 Cb -0.14 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3dfy h ILE 170 CO -0.08 0.33 0.22 -0.08 0.00 0.00 0.00 178.15 178.54 3dfy h GLU 171 N 0.39 0.70 -0.50 2.37 4.81 -1.05 -2.41 114.58 118.90 3dfy h GLU 171 Ca 0.09 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3dfy h GLU 171 Cb 0.49 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 3dfy h GLU 171 CO 0.02 0.61 0.16 0.00 -0.73 0.00 0.00 179.01 179.07 3dfy h ALA 172 N 1.06 0.60 -0.44 2.92 0.00 -0.27 -0.97 119.26 122.16 3dfy h ALA 172 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dfy h ALA 172 Cb 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dfy h ALA 172 CO -0.02 -0.24 0.23 0.28 0.00 0.00 0.00 179.25 179.50 3dfy h VAL 173 N 0.32 1.17 -0.27 0.00 2.07 -1.20 -0.30 116.25 118.04 3dfy h VAL 173 Ca 0.25 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3dfy h VAL 173 Cb 0.29 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3dfy h VAL 173 CO -0.27 0.19 0.14 -0.08 0.02 0.00 0.00 177.57 177.57 3dfy h GLU 174 N 0.58 0.38 -0.32 1.57 4.81 -0.97 -0.60 114.58 120.03 3dfy h GLU 174 Ca 0.15 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3dfy h GLU 174 Cb 0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3dfy h GLU 174 CO -0.02 0.34 0.16 0.93 -0.73 0.00 0.00 179.01 179.69 3dfy h GLU 175 N 0.32 0.46 -0.67 1.92 4.39 -1.05 -1.85 114.58 118.10 3dfy h GLU 175 Ca 0.09 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3dfy h GLU 175 Cb 0.08 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3dfy h GLU 175 CO -0.01 0.42 0.33 0.82 -1.16 0.00 0.00 179.01 179.41 3dfy h ILE 176 N 0.38 1.21 -0.22 3.13 2.04 -0.96 -2.80 117.51 120.29 3dfy h ILE 176 Ca 0.11 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3dfy h ILE 176 Cb 0.11 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3dfy h ILE 176 CO -0.01 0.24 0.12 0.00 0.00 0.00 0.00 178.15 178.49 3dfy h ALA 177 N 1.43 0.29 -0.97 1.87 0.00 -0.68 -2.76 119.26 118.44 3dfy h ALA 177 Ca 0.23 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3dfy h ALA 177 Cb 0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 3dfy h ALA 177 CO -0.03 -0.17 0.60 0.87 0.00 0.00 0.00 179.25 180.52 3dfy h LYS 178 N 0.24 0.92 -0.51 0.00 1.57 -1.08 -2.16 116.57 115.55 3dfy h LYS 178 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3dfy h LYS 178 Cb 0.09 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3dfy h LYS 178 CO -0.01 0.61 0.00 1.33 -0.57 0.00 0.00 179.45 180.81 3dfy n VAL 179 N -4.65 0.77 -2.68 0.50 0.24 -1.14 -4.19 118.33 107.17 3dfy n VAL 179 Ca 0.18 -0.67 0.02 0.00 -2.04 0.00 0.00 64.34 61.82 3dfy n VAL 179 Cb 0.35 0.25 0.04 0.00 -1.47 0.00 0.00 33.84 33.00 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 0.86 0.71 -1.66 3.34 -2.24 -0.82 -4.74 114.28 109.72 3dfy n THR 180 Ca 0.16 -2.06 -0.47 0.00 -2.27 0.00 0.00 64.05 59.42 3dfy n THR 180 Cb 0.46 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.10 2.04 0.00 -0.78 1.74 -1.16 -1.70 116.66 116.70 3dfy n ARG 181 Ca 0.07 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3dfy n ARG 181 Cb 0.96 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3dfy n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dfy n GLY 182 N 3.43 1.53 3.92 -0.13 0.00 -1.26 -5.09 105.19 107.59 3dfy n GLY 182 Ca 0.18 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 -2.16 3.85 0.07 4.61 0.00 -0.69 -4.99 121.76 122.46 3dfy s ALA 183 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3dfy s ALA 183 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3dfy s ALA 183 CO 0.00 0.52 0.23 0.15 0.00 0.00 0.00 175.76 176.66 3dfy s LYS 184 N -3.13 3.46 0.01 0.00 1.02 0.18 -4.98 119.74 116.30 3dfy s LYS 184 Ca 0.38 -0.40 0.08 0.00 0.02 0.00 0.00 55.97 56.06 3dfy s LYS 184 Cb -0.11 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3dfy s LYS 184 CO 0.28 0.59 -0.26 0.71 -0.92 0.00 0.00 175.35 175.76 3dfy s TYR 185 N -1.52 2.28 -0.17 3.18 2.02 -1.26 -1.14 117.35 120.74 3dfy s TYR 185 Ca 0.36 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3dfy s TYR 185 Cb -0.13 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3dfy s TYR 185 CO 0.27 0.04 -0.14 0.42 -1.57 0.00 0.00 175.55 174.57 3dfy s ILE 186 N -0.70 1.69 -0.20 2.71 1.01 -0.86 -0.46 121.20 124.39 3dfy s ILE 186 Ca 0.11 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3dfy s ILE 186 Cb -0.10 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 3dfy s ILE 186 CO 0.01 0.39 0.05 -0.69 0.00 0.00 0.00 174.94 174.69 3dfy s VAL 187 N 1.42 4.42 -0.31 2.92 1.01 -0.31 0.35 120.40 129.89 3dfy s VAL 187 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 3dfy s VAL 187 Cb -0.14 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.29 3dfy s VAL 187 CO -0.10 0.42 0.01 -0.62 0.00 0.00 0.00 175.10 174.81 3dfy s ASP 188 N 0.88 4.88 0.00 3.32 -1.08 -0.56 0.48 116.67 124.59 3dfy s ASP 188 Ca 0.03 -1.42 0.19 0.00 -0.52 0.00 0.00 52.55 50.83 3dfy s ASP 188 Cb -0.14 -1.70 0.84 0.00 -1.46 0.00 0.00 42.92 40.46 3dfy s ASP 188 CO 0.02 -0.29 1.58 0.00 0.52 0.00 0.00 175.17 177.00 3dfy n ALA 189 N 4.58 2.55 -3.67 3.66 0.00 -0.76 -1.49 120.51 125.38 3dfy n ALA 189 Ca -0.11 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.74 3dfy n ALA 189 Cb 0.43 -1.15 -0.05 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 -0.06 -0.01 -1.31 0.00 4.13 -1.20 0.09 115.26 116.89 3dfy n ASN 190 Ca 0.15 -0.78 -0.17 0.00 1.68 0.00 0.00 54.58 55.46 3dfy n ASN 190 Cb 0.23 -0.96 -0.07 0.00 -1.54 0.00 0.00 39.78 37.43 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 -3.24 -1.39 0.15 3.52 2.81 0.91 -4.89 117.12 114.99 3dfy n MET 191 Ca -0.17 1.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.94 3dfy n MET 191 Cb 0.41 -5.42 0.29 0.00 -0.71 0.00 0.00 33.22 27.79 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 -3.33 3.03 0.00 -0.30 -3.37 103.07 99.10 3dfy h GLY 192 Ca -0.35 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.46 3dfy h GLY 192 CO 0.51 0.00 -0.51 -0.19 0.00 0.00 0.00 176.54 176.36 3dfy s TYR 193 N -3.15 3.24 0.68 5.60 2.02 -0.09 -4.84 117.35 120.81 3dfy s TYR 193 Ca 0.09 -0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.69 3dfy s TYR 193 Cb 0.10 -1.50 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 3dfy s TYR 193 CO 0.64 0.50 0.99 0.95 -1.57 0.00 0.00 175.55 177.06 3dfy s THR 194 N -1.96 2.40 0.17 -0.71 -4.23 -1.26 -4.07 115.64 105.97 3dfy s THR 194 Ca 0.33 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.41 3dfy s THR 194 Cb -0.09 -3.03 0.06 0.00 1.34 0.00 0.00 72.50 70.78 3dfy s THR 194 CO 0.26 -0.03 1.73 1.56 -0.54 0.00 0.00 174.62 177.60 3dfy h GLN 195 N -0.52 0.24 -0.39 3.99 4.20 -1.92 0.10 115.11 120.81 3dfy h GLN 195 Ca -0.44 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.16 3dfy h GLN 195 Cb 1.31 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3dfy h GLN 195 CO 0.60 0.16 -0.14 0.87 -0.67 0.00 0.00 178.83 179.65 3dfy h LYS 196 N 0.25 0.72 -0.14 1.46 1.79 -1.98 -1.84 116.57 116.83 3dfy h LYS 196 Ca 0.20 -0.24 -0.16 0.00 -2.18 0.00 0.00 60.65 58.27 3dfy h LYS 196 Cb 0.23 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3dfy h LYS 196 CO -0.24 0.82 -0.58 0.93 -1.08 0.00 0.00 179.45 179.30 3dfy h GLU 197 N 0.65 0.44 -0.71 3.15 5.08 -1.85 -1.83 114.58 119.52 3dfy h GLU 197 Ca 0.11 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3dfy h GLU 197 Cb 0.60 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3dfy h GLU 197 CO 0.04 0.89 0.32 0.00 -1.00 0.00 0.00 179.01 179.27 3dfy h ALA 198 N 1.04 0.91 -0.17 3.43 0.00 -0.68 0.08 119.26 123.88 3dfy h ALA 198 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3dfy h ALA 198 Cb 1.11 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3dfy h ALA 198 CO 0.10 0.49 -0.07 0.28 0.00 0.00 0.00 179.25 180.06 3dfy h VAL 199 N 0.99 1.30 -0.72 0.00 2.07 -1.23 -2.89 116.25 115.77 3dfy h VAL 199 Ca 0.24 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.74 3dfy h VAL 199 Cb 0.15 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3dfy h VAL 199 CO -0.03 0.32 0.41 -0.08 0.02 0.00 0.00 177.57 178.21 3dfy h GLU 200 N 0.02 0.72 0.01 1.57 4.57 -1.09 -0.80 114.58 119.58 3dfy h GLU 200 Ca 0.04 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3dfy h GLU 200 Cb 0.53 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 3dfy h GLU 200 CO 0.02 0.48 -0.28 0.35 -1.18 0.00 0.00 179.01 178.39 3dfy h PHE 201 N 0.74 -0.77 -0.71 0.92 3.57 -0.90 -0.11 116.94 119.68 3dfy h PHE 201 Ca 0.33 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.86 3dfy h PHE 201 Cb 0.21 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3dfy h PHE 201 CO -0.07 -0.38 0.46 0.00 -2.23 0.00 0.00 178.31 176.10 3dfy h ALA 202 N 0.33 0.91 -0.30 2.41 0.00 -1.22 -1.93 119.26 119.46 3dfy h ALA 202 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dfy h ALA 202 Cb 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dfy h ALA 202 CO -0.24 0.29 0.11 0.00 0.00 0.00 0.00 179.25 179.42 3dfy h ARG 203 N 0.94 0.46 -0.19 0.00 3.08 -0.81 -0.26 114.38 117.60 3dfy h ARG 203 Ca 0.27 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.24 3dfy h ARG 203 Cb -0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3dfy h ARG 203 CO -0.07 0.49 0.08 0.00 -1.07 0.00 0.00 179.97 179.40 3dfy h ALA 204 N 0.95 0.21 -0.63 0.04 0.00 -0.84 0.16 119.26 119.15 3dfy h ALA 204 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 204 Cb 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3dfy h ALA 204 CO -0.01 -0.35 0.22 0.28 0.00 0.00 0.00 179.25 179.39 3dfy h VAL 205 N 0.17 1.23 -0.65 0.00 2.07 -1.29 -2.44 116.25 115.35 3dfy h VAL 205 Ca 0.08 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3dfy h VAL 205 Cb 0.03 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3dfy h VAL 205 CO -0.07 0.30 0.13 0.22 0.02 0.00 0.00 177.57 178.17 3dfy h TYR 206 N 0.91 1.12 0.00 1.57 3.20 -0.39 -2.53 116.97 120.85 3dfy h TYR 206 Ca 0.21 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3dfy h TYR 206 Cb 0.23 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3dfy h TYR 206 CO 0.02 0.94 0.00 1.96 -1.64 0.00 0.00 178.16 179.44 3dfy h GLN 207 N 0.98 0.00 -0.60 1.82 1.08 -0.23 -1.17 115.11 116.99 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 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3dfy h GLN 207 CO 0.01 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.52 3dfy n LYS 208 N -2.68 2.82 -1.14 1.46 5.02 -0.98 -4.91 118.16 117.75 3dfy n LYS 208 Ca -0.01 -2.14 -0.05 0.00 -2.02 0.00 0.00 58.31 54.10 3dfy n LYS 208 Cb 0.16 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 3dfy n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfy n GLY 209 N 1.11 0.69 3.85 0.72 0.00 -0.44 -5.01 105.19 106.11 3dfy n GLY 209 Ca 0.20 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.94 5.09 -0.12 -0.61 1.01 -1.07 -5.05 121.20 118.51 3dfy s ILE 210 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 3dfy s ILE 210 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3dfy s ILE 210 CO 0.00 0.53 -0.08 -0.62 0.00 0.00 0.00 174.94 174.77 3dfy s ASP 211 N -1.19 4.44 -0.25 3.58 2.15 -1.26 -4.21 116.67 119.93 3dfy s ASP 211 Ca 0.24 -0.18 -0.05 0.00 0.43 0.00 0.00 52.55 53.00 3dfy s ASP 211 Cb -0.16 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 3dfy s ASP 211 CO 0.13 0.22 0.01 -0.63 -0.17 0.00 0.00 175.17 174.73 3dfy s ILE 212 N 0.04 3.61 0.18 4.11 1.01 -1.26 -4.30 121.20 124.60 3dfy s ILE 212 Ca -0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 3dfy s ILE 212 Cb -0.14 -2.76 0.07 0.00 0.01 0.00 0.00 42.46 39.64 3dfy s ILE 212 CO 0.03 0.26 1.64 0.00 0.00 0.00 0.00 174.94 176.88 3dfy h ALA 213 N 8.15 0.83 -3.02 9.38 0.00 -1.15 -3.39 119.26 130.06 3dfy h ALA 213 Ca -0.36 -0.31 -0.25 0.00 0.00 0.00 0.00 54.91 53.99 3dfy h ALA 213 Cb 1.14 -0.23 -0.33 0.00 0.00 0.00 0.00 17.79 18.37 3dfy h ALA 213 CO 0.60 0.67 -0.58 0.08 0.00 0.00 0.00 179.25 180.02 3dfy s VAL 214 N -5.04 -0.26 -0.50 0.00 1.01 -1.20 -4.28 120.40 110.13 3dfy s VAL 214 Ca -0.12 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 3dfy s VAL 214 Cb 0.14 -0.35 0.12 0.00 0.00 0.00 0.00 36.38 36.28 3dfy s VAL 214 CO 0.86 0.12 0.43 -0.47 0.00 0.00 0.00 175.10 176.04 3dfy s TYR 215 N 2.08 3.30 -0.05 5.22 5.04 0.39 -1.17 117.35 132.17 3dfy s TYR 215 Ca -0.01 -1.40 -0.24 0.00 -2.44 0.00 0.00 57.07 52.98 3dfy s TYR 215 Cb -0.12 -3.57 -0.04 0.00 0.35 0.00 0.00 41.96 38.58 3dfy s TYR 215 CO -0.07 -0.97 0.72 -2.00 -1.34 0.00 0.00 175.55 171.89 3dfy s GLU 216 N 1.53 4.45 -0.06 4.97 2.12 0.18 -0.87 118.70 131.01 3dfy s GLU 216 Ca 0.04 0.93 -0.01 0.00 0.36 0.00 0.00 54.97 56.28 3dfy s GLU 216 Cb -0.28 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3dfy s GLU 216 CO 0.03 0.10 0.06 0.94 -0.54 0.00 0.00 175.26 175.84 3dfy n GLN 217 N 3.62 -0.16 0.19 4.30 -0.06 0.41 -1.82 117.38 123.86 3dfy n GLN 217 Ca -0.01 0.09 0.06 0.00 -2.00 0.00 0.00 57.00 55.14 3dfy n GLN 217 Cb 0.51 -0.20 0.31 0.00 -4.06 0.00 0.00 30.24 26.80 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 -5.77 3.69 0.13 -1.85 0.26 132.00 129.08 3dfy h PRO 218 Ca -0.06 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.48 3dfy h PRO 218 Cb 0.13 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.19 3dfy h PRO 218 CO 0.03 0.35 -0.41 0.14 -0.23 0.00 0.00 178.00 177.88 3dfy s VAL 219 N -3.48 1.80 0.53 1.56 -7.23 -1.26 -0.91 120.40 111.41 3dfy s VAL 219 Ca 0.01 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.30 3dfy s VAL 219 Cb 0.10 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 3dfy s VAL 219 CO 0.68 0.00 1.36 -0.13 -0.31 0.00 0.00 175.10 176.70 3dfy s ARG 220 N -4.07 3.21 0.36 4.82 0.52 -1.26 -4.11 118.95 118.42 3dfy s ARG 220 Ca 0.31 2.24 0.11 0.00 -0.52 0.00 0.00 55.73 57.87 3dfy s ARG 220 Cb 0.01 -2.30 0.90 0.00 0.52 0.00 0.00 34.95 34.08 3dfy s ARG 220 CO 0.18 -1.13 1.83 0.07 0.02 0.00 0.00 175.30 176.26 3dfy h ARG 221 N 1.56 0.59 0.00 3.54 0.11 -1.93 -0.98 114.38 117.27 3dfy h ARG 221 Ca -0.51 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.54 3dfy h ARG 221 Cb 1.30 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3dfy h ARG 221 CO 0.58 0.39 0.00 0.39 0.10 0.00 0.00 179.97 181.43 3dfy n GLU 222 N -4.61 0.17 -2.03 0.08 -0.58 -1.26 -4.47 120.64 107.94 3dfy n GLU 222 Ca 0.21 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.67 3dfy n GLU 222 Cb 0.61 -1.70 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 -1.99 5.25 -0.36 1.62 2.03 -0.37 -4.74 116.55 117.98 3dfy n ASP 223 Ca 0.06 -2.99 -0.02 0.00 0.52 0.00 0.00 54.79 52.36 3dfy n ASP 223 Cb 0.39 -1.53 0.12 0.00 -0.72 0.00 0.00 41.12 39.38 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 3.65 1.25 -0.01 5.18 1.08 -1.82 -1.53 117.51 125.32 3dfy h ILE 224 Ca 0.52 -0.50 -0.08 0.00 -0.39 0.00 0.00 64.86 64.41 3dfy h ILE 224 Cb 0.57 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 3dfy h ILE 224 CO 1.71 0.25 -0.36 -0.33 -0.69 0.00 0.00 178.15 178.74 3dfy h GLU 225 N 1.32 0.02 -0.28 2.37 4.39 -1.98 -2.02 114.58 118.40 3dfy h GLU 225 Ca 0.35 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.99 3dfy h GLU 225 Cb -0.11 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3dfy h GLU 225 CO -0.07 0.37 -0.02 0.78 -1.16 0.00 0.00 179.01 178.91 3dfy h GLY 226 N 1.08 0.54 0.75 -3.84 0.00 -1.69 0.13 103.07 100.04 3dfy h GLY 226 Ca -0.00 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 46.96 3dfy h GLY 226 CO 0.05 0.38 0.34 1.41 0.00 0.00 0.00 176.54 178.72 3dfy h LEU 227 N 0.28 0.52 -0.91 3.11 3.38 -1.09 0.14 115.31 120.74 3dfy h LEU 227 Ca 0.08 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3dfy h LEU 227 Cb 0.46 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3dfy h LEU 227 CO 0.02 0.35 -0.06 0.50 0.09 0.00 0.00 178.44 179.34 3dfy h LYS 228 N 0.66 0.73 0.09 1.13 3.64 -1.15 0.23 116.57 121.91 3dfy h LYS 228 Ca 0.26 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dfy h LYS 228 Cb 0.12 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3dfy h LYS 228 CO -0.15 0.79 -0.04 0.35 -2.27 0.00 0.00 179.45 178.12 3dfy h PHE 229 N 0.67 -0.12 -0.80 1.91 3.57 0.23 -1.95 116.94 120.46 3dfy h PHE 229 Ca 0.12 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3dfy h PHE 229 Cb 0.51 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3dfy h PHE 229 CO 0.02 0.13 0.53 0.28 -2.23 0.00 0.00 178.31 177.04 3dfy h VAL 230 N -0.35 1.18 -0.62 1.41 2.07 -0.51 -2.34 116.25 117.09 3dfy h VAL 230 Ca -0.01 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.23 3dfy h VAL 230 Cb 0.30 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 3dfy h VAL 230 CO 0.02 0.19 0.26 -0.09 0.02 0.00 0.00 177.57 177.97 3dfy h ARG 231 N 1.06 0.44 -0.40 1.57 2.43 -0.37 0.30 114.38 119.42 3dfy h ARG 231 Ca 0.30 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3dfy h ARG 231 Cb -0.09 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3dfy h ARG 231 CO -0.08 0.29 -0.04 0.35 -1.51 0.00 0.00 179.97 178.98 3dfy h PHE 232 N 0.46 0.70 0.00 2.20 3.57 -0.82 -3.24 116.94 119.82 3dfy h PHE 232 Ca 0.31 -0.10 -0.22 0.00 3.53 0.00 0.00 57.97 61.50 3dfy h PHE 232 Cb 0.35 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3dfy h PHE 232 CO -0.15 0.69 -1.77 0.72 -2.23 0.00 0.00 178.31 175.58 3dfy n HIS 233 N -4.22 0.63 -2.28 0.41 8.25 -0.98 -4.94 115.22 112.10 3dfy n HIS 233 Ca 0.02 0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 57.27 3dfy n HIS 233 Cb 0.30 -1.01 -0.03 0.00 1.12 0.00 0.00 29.99 30.37 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 -5.60 6.94 0.00 0.41 0.15 0.10 -4.90 113.70 110.80 3dfy s SER 234 Ca -0.05 2.22 0.31 0.00 0.70 0.00 0.00 55.95 59.12 3dfy s SER 234 Cb 0.09 -2.59 1.68 0.00 -1.71 0.00 0.00 66.02 63.49 3dfy s SER 234 CO 0.83 -0.56 2.11 -0.81 1.20 0.00 0.00 173.24 176.01 3dfy n PRO 235 N 3.72 0.94 -4.25 5.44 -0.04 -1.26 -4.78 135.00 134.77 3dfy n PRO 235 Ca 0.10 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 63.13 3dfy n PRO 235 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.15 2.68 0.28 0.54 0.08 -1.26 -5.02 117.98 113.14 3dfy s PHE 236 Ca 0.42 -0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.98 3dfy s PHE 236 Cb 0.21 -1.40 -0.11 0.00 -0.57 0.00 0.00 43.02 41.15 3dfy s PHE 236 CO 0.39 0.42 1.55 -2.14 -0.10 0.00 0.00 175.22 175.35 3dfy s PRO 237 N -2.23 4.16 -0.12 0.24 0.02 -1.26 -4.82 135.00 131.00 3dfy s PRO 237 Ca 0.21 2.50 -0.05 0.00 0.02 0.00 0.00 61.00 63.67 3dfy s PRO 237 Cb -0.11 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3dfy s PRO 237 CO 0.13 -0.57 0.06 0.08 -0.33 0.00 0.00 177.00 176.37 3dfy s VAL 238 N 0.04 4.84 0.13 3.83 1.01 -1.26 -0.46 120.40 128.53 3dfy s VAL 238 Ca 0.62 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.67 3dfy s VAL 238 Cb -0.46 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3dfy s VAL 238 CO 0.46 0.57 -0.26 0.00 0.00 0.00 0.00 175.10 175.87 3dfy s ALA 239 N -0.59 2.43 -0.13 5.51 0.00 -0.05 -0.63 121.76 128.30 3dfy s ALA 239 Ca 0.11 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 3dfy s ALA 239 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3dfy s ALA 239 CO 0.02 0.54 0.11 0.00 0.00 0.00 0.00 175.76 176.43 3dfy s ALA 240 N -1.09 3.71 0.00 0.00 0.00 -0.77 -0.44 121.76 123.16 3dfy s ALA 240 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3dfy s ALA 240 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.11 3dfy s ALA 240 CO 0.07 0.51 0.00 -3.47 0.00 0.00 0.00 175.76 172.87 3dfy n ASP 241 N 2.37 0.00 0.09 0.00 -0.08 -1.26 -0.43 116.55 117.24 3dfy n ASP 241 Ca -0.19 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.27 3dfy n ASP 241 Cb 0.54 0.00 0.71 0.00 2.34 0.00 0.00 41.12 44.71 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 0.20 114.58 115.24 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 0.00 0.43 -1.40 0.00 0.00 179.01 178.04 3dfy n SER 243 N -4.26 0.67 -3.99 1.42 7.64 -1.26 -4.39 113.62 109.46 3dfy n SER 243 Ca 0.06 0.59 -0.32 0.00 1.01 0.00 0.00 58.87 60.21 3dfy n SER 243 Cb 0.46 -0.76 -0.12 0.00 -1.01 0.00 0.00 64.21 62.78 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 -3.14 3.54 -0.21 -0.43 0.00 0.69 -4.74 121.76 117.47 3dfy s ALA 244 Ca 0.09 -3.43 -0.02 0.00 0.00 0.00 0.00 51.96 48.61 3dfy s ALA 244 Cb 0.12 -2.33 -0.13 0.00 0.00 0.00 0.00 23.12 20.78 3dfy s ALA 244 CO 0.53 -2.07 -0.21 0.54 0.00 0.00 0.00 175.76 174.55 3dfy n ARG 245 N 2.92 0.51 -4.35 0.00 1.74 -1.26 -4.82 116.66 111.40 3dfy n ARG 245 Ca 0.10 0.14 -0.25 0.00 -0.77 0.00 0.00 57.85 57.07 3dfy n ARG 245 Cb 0.34 -1.39 -0.09 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.42 2.43 0.47 0.55 -4.23 -1.26 -3.24 115.64 107.95 3dfy s THR 246 Ca -0.29 -1.93 0.18 0.00 -1.18 0.00 0.00 61.69 58.47 3dfy s THR 246 Cb 0.08 -2.86 0.23 0.00 1.34 0.00 0.00 72.50 71.29 3dfy s THR 246 CO 0.46 -0.12 2.05 0.07 -0.54 0.00 0.00 174.62 176.54 3dfy h LYS 247 N 1.73 0.00 -0.12 3.99 2.10 -1.94 -1.28 116.57 121.05 3dfy h LYS 247 Ca -0.43 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.07 3dfy h LYS 247 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3dfy h LYS 247 CO 0.70 0.13 -0.58 0.74 -2.00 0.00 0.00 179.45 178.43 3dfy h PHE 248 N 0.00 0.47 -0.57 0.07 0.04 -1.97 -1.65 116.94 113.34 3dfy h PHE 248 Ca -0.00 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.55 3dfy h PHE 248 Cb 0.24 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3dfy h PHE 248 CO 0.00 0.87 0.20 -0.44 -0.60 0.00 0.00 178.31 178.34 3dfy h ASP 249 N 0.28 0.81 -0.37 2.17 3.32 -1.58 -2.43 116.42 118.63 3dfy h ASP 249 Ca -0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 3dfy h ASP 249 Cb 1.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3dfy h ASP 249 CO 0.10 0.78 -0.20 0.58 -1.72 0.00 0.00 179.24 178.78 3dfy h VAL 250 N 0.79 1.27 -0.63 -1.35 2.07 -1.24 -0.93 116.25 116.23 3dfy h VAL 250 Ca 0.19 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3dfy h VAL 250 Cb 0.24 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3dfy h VAL 250 CO -0.01 0.45 0.29 -0.03 0.02 0.00 0.00 177.57 178.29 3dfy h MET 251 N 0.75 0.89 -0.33 1.57 1.85 -1.17 -0.09 114.93 118.39 3dfy h MET 251 Ca 0.10 -0.12 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 3dfy h MET 251 Cb 0.74 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 3dfy h MET 251 CO 0.06 0.70 -0.02 -0.09 -0.40 0.00 0.00 176.91 177.16 3dfy h ARG 252 N 0.89 0.60 -1.01 0.39 2.43 -1.05 0.05 114.38 116.67 3dfy h ARG 252 Ca 0.22 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3dfy h ARG 252 Cb 0.11 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 3dfy h ARG 252 CO -0.03 0.74 0.66 -0.07 -1.51 0.00 0.00 179.97 179.77 3dfy h LEU 253 N 0.39 1.12 -0.08 3.80 3.38 -0.50 -0.52 115.31 122.90 3dfy h LEU 253 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dfy h LEU 253 Cb 0.48 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dfy h LEU 253 CO 0.02 0.78 -0.03 0.58 0.09 0.00 0.00 178.44 179.89 3dfy h VAL 254 N 1.31 1.31 -0.33 1.22 2.07 -0.76 0.47 116.25 121.55 3dfy h VAL 254 Ca 0.39 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3dfy h VAL 254 Cb -0.06 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3dfy h VAL 254 CO -0.11 0.28 0.22 0.11 0.02 0.00 0.00 177.57 178.09 3dfy h LYS 255 N -0.18 0.33 0.00 1.57 1.57 -0.71 -1.41 116.57 117.73 3dfy h LYS 255 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dfy h LYS 255 Cb 0.46 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3dfy h LYS 255 CO 0.01 0.22 -0.47 0.39 -0.57 0.00 0.00 179.45 179.03 3dfy n GLU 256 N -4.49 0.05 -3.68 3.15 -0.58 -0.23 -4.96 120.64 109.90 3dfy n GLU 256 Ca 0.03 0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.55 3dfy n GLU 256 Cb 0.15 -1.53 0.05 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.59 -5.95 0.07 3.49 1.02 0.09 -4.92 120.64 112.84 3dfy n GLU 257 Ca 0.05 0.70 -0.12 0.00 -0.02 0.00 0.00 57.16 57.77 3dfy n GLU 257 Cb 0.35 -5.52 -0.13 0.00 -0.02 0.00 0.00 31.44 26.12 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 0.93 0.30 -2.49 0.62 0.00 -1.66 -3.46 119.26 113.49 3dfy h ALA 258 Ca -0.59 -1.01 -0.30 0.00 0.00 0.00 0.00 54.91 53.01 3dfy h ALA 258 Cb 1.36 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 3dfy h ALA 258 CO 0.58 1.17 -0.61 0.14 0.00 0.00 0.00 179.25 180.53 3dfy s VAL 259 N -2.66 0.22 -0.14 0.00 -7.23 -1.26 -3.05 120.40 106.28 3dfy s VAL 259 Ca -0.03 -2.00 0.16 0.00 -1.81 0.00 0.00 61.98 58.30 3dfy s VAL 259 Cb 0.08 -2.55 -0.24 0.00 0.56 0.00 0.00 36.38 34.23 3dfy s VAL 259 CO 0.85 0.00 0.31 0.47 -0.31 0.00 0.00 175.10 176.42 3dfy n ASP 260 N -0.42 0.32 -4.25 4.85 8.00 0.19 -4.97 116.55 120.27 3dfy n ASP 260 Ca 0.01 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 3dfy n ASP 260 Cb 0.66 0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 42.32 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 -2.59 1.26 -0.05 1.24 1.51 -0.34 -1.23 117.35 117.15 3dfy s TYR 261 Ca -0.08 -0.88 0.02 0.00 -1.01 0.00 0.00 57.07 55.12 3dfy s TYR 261 Cb 0.07 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3dfy s TYR 261 CO 0.83 -0.05 -0.07 0.08 -1.11 0.00 0.00 175.55 175.23 3dfy s VAL 262 N -3.47 0.73 -0.48 0.71 1.01 -0.79 -1.85 120.40 116.26 3dfy s VAL 262 Ca 0.20 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 3dfy s VAL 262 Cb 0.04 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.79 3dfy s VAL 262 CO 0.02 0.26 0.44 0.21 0.00 0.00 0.00 175.10 176.03 3dfy s ASN 263 N 0.70 6.16 0.12 3.32 2.47 0.43 -2.24 114.94 125.91 3dfy s ASN 263 Ca -0.11 -1.28 -0.27 0.00 0.42 0.00 0.00 52.86 51.61 3dfy s ASN 263 Cb -0.14 -2.20 -0.07 0.00 -1.45 0.00 0.00 41.25 37.39 3dfy s ASN 263 CO 0.01 -0.70 0.86 -0.63 -3.72 0.00 0.00 177.10 172.92 3dfy s ILE 264 N 1.80 4.47 -0.06 -5.21 1.01 -0.24 -4.66 121.20 118.31 3dfy s ILE 264 Ca 0.06 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.57 3dfy s ILE 264 Cb -0.24 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.04 3dfy s ILE 264 CO 0.07 0.41 -0.03 -0.54 0.00 0.00 0.00 174.94 174.85 3dfy s LYS 265 N -0.47 0.85 0.48 2.79 1.02 -1.26 -1.07 119.74 122.08 3dfy s LYS 265 Ca 0.41 -0.05 0.15 0.00 0.02 0.00 0.00 55.97 56.50 3dfy s LYS 265 Cb -0.23 -0.98 1.14 0.00 -0.52 0.00 0.00 37.83 37.23 3dfy s LYS 265 CO 0.27 -0.18 2.06 -0.07 -0.92 0.00 0.00 175.35 176.51 3dfy h LEU 266 N 7.71 0.20 -0.61 3.17 3.38 -1.86 -0.11 115.31 127.19 3dfy h LEU 266 Ca -0.30 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3dfy h LEU 266 Cb 1.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3dfy h LEU 266 CO 0.39 0.13 0.00 0.23 0.09 0.00 0.00 178.44 179.28 3dfy n MET 267 N -4.48 0.12 -0.12 1.13 2.81 -1.26 0.43 117.12 115.75 3dfy n MET 267 Ca 0.04 0.43 -0.20 0.00 -1.81 0.00 0.00 57.70 56.16 3dfy n MET 267 Cb 0.24 -1.77 -0.12 0.00 -0.71 0.00 0.00 33.22 30.86 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 -2.00 0.65 -0.04 0.03 5.02 -0.11 -3.02 118.16 118.68 3dfy n LYS 268 Ca 0.02 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.51 3dfy n LYS 268 Cb 0.16 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 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 -3.44 0.61 -0.12 4.39 7.64 -0.84 -4.69 113.62 117.17 3dfy n SER 269 Ca -0.46 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.43 3dfy n SER 269 Cb 0.97 1.51 -0.00 0.00 -1.01 0.00 0.00 64.21 65.68 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 1.60 -1.67 0.12 0.23 0.00 0.17 -3.46 105.19 102.18 3dfy n GLY 270 Ca -0.13 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.11 1.51 0.59 -0.61 2.04 -1.82 -2.83 117.51 116.27 3dfy h ILE 271 Ca -0.00 -2.53 -0.03 0.00 1.00 0.00 0.00 64.86 63.30 3dfy h ILE 271 Cb 0.11 2.37 0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3dfy h ILE 271 CO 0.00 0.73 -0.28 0.77 0.00 0.00 0.00 178.15 179.37 3dfy h SER 272 N 0.05 -0.67 -0.13 1.72 4.64 -1.95 -1.33 113.55 115.89 3dfy h SER 272 Ca -0.02 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3dfy h SER 272 Cb 1.36 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 3dfy h SER 272 CO 0.11 -0.33 -0.04 0.44 -0.87 0.00 0.00 176.83 176.14 3dfy h ASP 273 N -1.01 0.36 -0.78 4.97 5.19 -1.69 -2.25 116.42 121.21 3dfy h ASP 273 Ca -0.08 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 3dfy h ASP 273 Cb 0.66 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 3dfy h ASP 273 CO 0.13 0.46 0.49 0.00 -3.12 0.00 0.00 179.24 177.20 3dfy h ALA 274 N 1.59 0.99 -0.53 3.45 0.00 -1.39 0.29 119.26 123.66 3dfy h ALA 274 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3dfy h ALA 274 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dfy h ALA 274 CO 0.01 0.43 0.08 -0.07 0.00 0.00 0.00 179.25 179.71 3dfy h LEU 275 N 1.06 0.78 -0.29 0.00 3.38 -0.69 -2.17 115.31 117.38 3dfy h LEU 275 Ca 0.28 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3dfy h LEU 275 Cb -0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3dfy h LEU 275 CO -0.06 0.80 -0.10 0.00 0.09 0.00 0.00 178.44 179.18 3dfy h ALA 276 N 1.30 0.41 -0.78 1.53 0.00 -0.73 -2.80 119.26 118.18 3dfy h ALA 276 Ca 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dfy h ALA 276 Cb 0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3dfy h ALA 276 CO 0.01 0.25 0.44 0.82 0.00 0.00 0.00 179.25 180.77 3dfy h ILE 277 N 0.34 1.23 -0.20 0.00 2.04 -0.24 0.15 117.51 120.83 3dfy h ILE 277 Ca 0.07 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3dfy h ILE 277 Cb 0.59 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3dfy h ILE 277 CO 0.03 0.25 0.13 0.58 0.00 0.00 0.00 178.15 179.14 3dfy h VAL 278 N 1.09 1.06 -0.47 1.67 2.07 -1.31 0.15 116.25 120.50 3dfy h VAL 278 Ca 0.28 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 3dfy h VAL 278 Cb 0.00 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3dfy h VAL 278 CO -0.05 0.05 0.13 -0.33 0.02 0.00 0.00 177.57 177.40 3dfy h GLU 279 N 0.27 0.73 -0.19 1.57 4.39 -1.17 -1.53 114.58 118.65 3dfy h GLU 279 Ca 0.07 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.62 3dfy h GLU 279 Cb -0.02 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3dfy h GLU 279 CO -0.02 0.71 0.09 0.82 -1.16 0.00 0.00 179.01 179.46 3dfy h ILE 280 N 0.62 1.00 -0.37 3.13 2.04 -0.71 -2.07 117.51 121.16 3dfy h ILE 280 Ca 0.15 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.96 3dfy h ILE 280 Cb 0.29 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3dfy h ILE 280 CO -0.00 0.04 0.21 0.00 0.00 0.00 0.00 178.15 178.39 3dfy h ALA 281 N 1.09 0.46 0.00 1.87 0.00 -0.51 -1.65 119.26 120.52 3dfy h ALA 281 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 281 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dfy h ALA 281 CO -0.05 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.45 3dfy n GLU 282 N -4.89 0.05 -0.17 0.00 1.02 -0.59 -1.86 120.64 114.19 3dfy n GLU 282 Ca 0.01 0.28 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 3dfy n GLU 282 Cb 0.06 -1.59 0.19 0.00 -0.02 0.00 0.00 31.44 30.08 3dfy n GLU 282 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dfy n SER 283 N -1.68 3.22 -0.33 1.62 7.64 -0.66 -4.53 113.62 118.90 3dfy n SER 283 Ca 0.03 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.99 3dfy n SER 283 Cb 0.19 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.26 0.00 -0.27 6.43 3.41 -0.78 -5.01 113.62 118.66 3dfy n SER 284 Ca 0.17 -1.64 -0.03 0.00 -0.26 0.00 0.00 58.87 57.10 3dfy n SER 284 Cb 0.54 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 3dfy n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 285 N 0.00 0.64 3.82 5.00 0.00 -1.11 -5.01 105.19 108.52 3dfy n GLY 285 Ca 0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.79 4.45 0.21 0.99 2.96 -0.88 -5.01 118.68 120.61 3dfy s LEU 286 Ca 0.00 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 3dfy s LEU 286 Cb 0.00 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.51 3dfy s LEU 286 CO 0.00 0.18 0.36 -0.54 -1.32 0.00 0.00 176.35 175.03 3dfy s LYS 287 N -1.50 3.46 0.09 1.98 -0.14 -0.36 -4.47 119.74 118.80 3dfy s LYS 287 Ca 0.34 -0.57 0.06 0.00 -1.36 0.00 0.00 55.97 54.44 3dfy s LYS 287 Cb -0.18 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.05 3dfy s LYS 287 CO 0.20 0.43 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.56 3dfy s LEU 288 N -3.59 2.31 0.05 3.17 1.43 -1.26 -1.88 118.68 118.91 3dfy s LEU 288 Ca 0.36 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3dfy s LEU 288 Cb -0.10 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3dfy s LEU 288 CO 0.29 -0.08 -0.03 0.00 0.23 0.00 0.00 176.35 176.76 3dfy s MET 289 N -2.01 0.57 -0.03 1.70 0.23 -0.95 -1.07 119.30 117.73 3dfy s MET 289 Ca 0.02 -1.13 0.05 0.00 -1.03 0.00 0.00 55.69 53.60 3dfy s MET 289 Cb -0.09 0.18 -0.01 0.00 -1.53 0.00 0.00 34.83 33.39 3dfy s MET 289 CO 0.03 -0.10 -0.17 -1.50 -2.03 0.00 0.00 175.02 171.25 3dfy s ILE 290 N -3.51 1.38 0.00 3.16 2.07 -0.95 -1.08 121.20 122.27 3dfy s ILE 290 Ca 0.03 -0.71 0.00 0.00 -1.41 0.00 0.00 60.65 58.57 3dfy s ILE 290 Cb 0.05 -1.17 0.00 0.00 0.13 0.00 0.00 42.46 41.47 3dfy s ILE 290 CO -0.08 0.40 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 3dfy n GLY 291 N 3.00 6.87 2.25 1.50 0.00 -0.23 0.01 105.19 118.58 3dfy n GLY 291 Ca -0.17 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.34 0.00 -1.62 0.00 2.81 -1.26 -5.00 117.12 111.71 3dfy n MET 293 Ca -0.04 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.74 3dfy n MET 293 Cb 0.37 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.96 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 4.93 5.41 3.76 3.03 0.00 -1.26 -4.74 105.19 116.32 3dfy n GLY 294 Ca 0.00 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.35 3.47 0.00 1.61 8.01 -1.26 -4.91 118.70 122.27 3dfy s GLU 295 Ca 0.44 2.33 0.00 0.00 0.01 0.00 0.00 54.97 57.75 3dfy s GLU 295 Cb 0.39 -2.49 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 3dfy s GLU 295 CO -0.01 -0.96 0.00 -1.13 0.01 0.00 0.00 175.26 173.17 3dfy n SER 296 N -0.53 0.00 -0.08 -0.19 3.41 -1.26 -2.76 113.62 112.21 3dfy n SER 296 Ca 0.07 -0.81 -0.07 0.00 -0.26 0.00 0.00 58.87 57.80 3dfy n SER 296 Cb 0.43 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3dfy n SER 296 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3dfy h SER 297 N 0.00 -0.66 0.08 4.04 0.87 -1.93 0.18 113.55 116.14 3dfy h SER 297 Ca 0.00 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3dfy h SER 297 Cb 0.00 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3dfy h SER 297 CO 0.00 -0.23 -0.15 0.25 -0.53 0.00 0.00 176.83 176.16 3dfy h LEU 298 N -0.17 0.15 0.04 2.23 6.46 -1.94 -2.55 115.31 119.53 3dfy h LEU 298 Ca 0.16 -0.03 -0.20 0.00 -0.12 0.00 0.00 57.88 57.70 3dfy h LEU 298 Cb 0.41 -0.04 0.02 0.00 -0.73 0.00 0.00 40.66 40.32 3dfy h LEU 298 CO -0.41 0.32 -0.79 1.23 -0.62 0.00 0.00 178.44 178.17 3dfy h GLY 299 N 0.69 0.52 2.00 3.75 0.00 -1.65 -3.20 103.07 105.18 3dfy h GLY 299 Ca 0.03 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 3dfy h GLY 299 CO 0.02 0.87 -0.10 1.19 0.00 0.00 0.00 176.54 178.53 3dfy h ILE 300 N -0.02 0.85 -0.79 2.60 6.09 -0.91 -1.18 117.51 124.15 3dfy h ILE 300 Ca -0.11 -0.37 0.16 0.00 -1.37 0.00 0.00 64.86 63.17 3dfy h ILE 300 Cb 1.51 1.21 -0.05 0.00 0.47 0.00 0.00 36.82 39.95 3dfy h ILE 300 CO 0.15 0.10 0.53 -1.13 -3.07 0.00 0.00 178.15 174.73 3dfy h ASN 301 N 0.00 0.41 -0.06 2.19 -1.24 -1.45 -0.18 115.58 115.25 3dfy h ASN 301 Ca -0.00 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3dfy h ASN 301 Cb 0.20 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 3dfy h ASN 301 CO 0.01 0.20 0.04 1.56 -1.29 0.00 0.00 177.43 177.95 3dfy h GLN 302 N 0.43 0.08 -0.19 6.67 4.20 -1.32 -2.08 115.11 122.89 3dfy h GLN 302 Ca 0.39 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.96 3dfy h GLN 302 Cb 0.90 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3dfy h GLN 302 CO -0.13 0.08 -0.45 0.77 -0.67 0.00 0.00 178.83 178.43 3dfy h SER 303 N 0.05 0.49 0.16 1.46 0.02 -1.29 -2.44 113.55 112.01 3dfy h SER 303 Ca 0.02 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3dfy h SER 303 Cb 0.02 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 3dfy h SER 303 CO -0.00 0.88 -0.11 0.58 -1.14 0.00 0.00 176.83 177.04 3dfy h VAL 304 N 0.37 0.77 -0.49 2.27 2.07 -0.89 0.20 116.25 120.56 3dfy h VAL 304 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3dfy h VAL 304 Cb 0.94 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3dfy h VAL 304 CO 0.08 0.00 0.11 0.45 0.02 0.00 0.00 177.57 178.23 3dfy h HIS 305 N -0.27 0.77 -0.36 1.57 -0.00 -1.39 0.70 115.15 116.18 3dfy h HIS 305 Ca -0.01 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.25 3dfy h HIS 305 Cb 0.23 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3dfy h HIS 305 CO -0.09 0.66 0.07 0.35 -0.00 0.00 0.00 177.93 178.92 3dfy h PHE 306 N 0.73 0.62 -0.37 2.45 3.57 -1.04 0.53 116.94 123.42 3dfy h PHE 306 Ca 0.16 -0.08 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 3dfy h PHE 306 Cb 0.29 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3dfy h PHE 306 CO 0.01 0.63 -0.38 0.00 -2.23 0.00 0.00 178.31 176.35 3dfy h ALA 307 N 0.92 0.62 -0.10 2.41 0.00 -0.27 -1.77 119.26 121.06 3dfy h ALA 307 Ca 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3dfy h ALA 307 Cb 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dfy h ALA 307 CO 0.00 0.68 -0.11 -0.07 0.00 0.00 0.00 179.25 179.75 3dfy h LEU 308 N 0.73 0.27 0.12 0.00 3.38 -0.82 -0.96 115.31 118.03 3dfy h LEU 308 Ca 0.06 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3dfy h LEU 308 Cb 0.96 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3dfy h LEU 308 CO 0.09 0.71 -0.06 1.23 0.09 0.00 0.00 178.44 180.50 3dfy h GLY 309 N -0.17 -0.17 1.61 0.83 0.00 -0.90 -0.78 103.07 103.49 3dfy h GLY 309 Ca 0.01 0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.19 3dfy h GLY 309 CO 0.03 -0.06 -0.94 -0.91 0.00 0.00 0.00 176.54 174.66 3dfy h THR 310 N -0.29 1.43 -2.19 4.70 1.35 -1.45 -1.26 112.91 115.20 3dfy h THR 310 Ca -0.02 -2.52 -0.40 0.00 -0.55 0.00 0.00 66.41 62.92 3dfy h THR 310 Cb 0.24 2.45 -0.07 0.00 -1.73 0.00 0.00 68.15 69.04 3dfy h THR 310 CO 0.03 0.75 -0.46 0.61 -0.25 0.00 0.00 175.52 176.19 3dfy n GLY 311 N 0.95 0.39 0.11 5.82 0.00 -0.36 -4.76 105.19 107.34 3dfy n GLY 311 Ca -0.06 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.78 2.82 -2.79 4.61 0.00 -1.26 -4.93 120.51 118.18 3dfy n ALA 312 Ca -0.23 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 3dfy n ALA 312 Cb 0.67 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.55 3.22 0.10 0.00 0.08 -1.26 -4.41 117.98 113.16 3dfy s PHE 313 Ca 0.26 0.13 -0.08 0.00 0.12 0.00 0.00 56.93 57.36 3dfy s PHE 313 Cb 0.20 -1.92 -0.19 0.00 -0.57 0.00 0.00 43.02 40.54 3dfy s PHE 313 CO 0.50 0.33 1.22 0.93 -0.10 0.00 0.00 175.22 178.10 3dfy h GLU 314 N 5.84 0.47 -4.83 0.44 4.39 -1.46 -3.46 114.58 115.97 3dfy h GLU 314 Ca -0.44 -0.57 -0.33 0.00 0.34 0.00 0.00 59.36 58.36 3dfy h GLU 314 Cb 1.19 0.18 -0.22 0.00 -0.10 0.00 0.00 28.75 29.80 3dfy h GLU 314 CO 0.61 1.21 -0.75 -0.06 -1.16 0.00 0.00 179.01 178.86 3dfy s PHE 315 N -3.11 0.85 -0.12 4.33 0.08 -1.25 -5.07 117.98 113.70 3dfy s PHE 315 Ca -0.07 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.54 3dfy s PHE 315 Cb 0.08 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 3dfy s PHE 315 CO 0.89 -0.03 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.83 3dfy s HIS 316 N -1.24 1.96 -0.72 0.36 3.76 -1.25 -2.23 115.29 115.94 3dfy s HIS 316 Ca -0.06 -0.98 0.04 0.00 -0.15 0.00 0.00 55.06 53.91 3dfy s HIS 316 Cb -0.09 -1.44 0.23 0.00 1.11 0.00 0.00 32.58 32.38 3dfy s HIS 316 CO 0.01 -0.53 0.75 -3.47 -0.85 0.00 0.00 174.74 170.65 3dfy n ASP 317 N 4.44 3.86 -3.51 1.40 2.03 0.10 -0.99 116.55 123.88 3dfy n ASP 317 Ca -0.18 -3.36 -0.27 0.00 0.52 0.00 0.00 54.79 51.50 3dfy n ASP 317 Cb 0.51 -0.78 -0.09 0.00 -0.72 0.00 0.00 41.12 40.04 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 1.29 3.70 -0.09 -2.67 4.77 -1.26 -3.29 117.00 119.45 3dfy n LEU 318 Ca 0.26 -5.41 0.01 0.00 -0.03 0.00 0.00 56.01 50.85 3dfy n LEU 318 Cb 0.38 -0.70 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3dfy n LEU 318 CO 0.40 2.00 0.29 -0.90 -1.33 0.00 0.00 177.39 177.85 3dfy n ASP 319 N 1.03 1.20 -0.34 -1.43 5.68 -1.26 -4.74 116.55 116.69 3dfy n ASP 319 Ca 0.28 -1.11 0.11 0.00 -0.50 0.00 0.00 54.79 53.58 3dfy n ASP 319 Cb 0.40 -0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.67 3dfy n ASP 319 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dfy h SER 320 N 0.44 0.69 0.71 -1.12 4.64 -1.85 0.42 113.55 117.48 3dfy h SER 320 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3dfy h SER 320 Cb 0.10 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3dfy h SER 320 CO 0.00 0.25 0.00 1.12 -0.87 0.00 0.00 176.83 177.33 3dfy h HIS 321 N 0.71 0.00 -0.00 4.77 2.07 -1.79 -1.20 115.15 119.70 3dfy h HIS 321 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 3dfy h HIS 321 Cb 0.84 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.82 3dfy h HIS 321 CO -0.04 0.00 -0.23 1.28 -3.07 0.00 0.00 177.93 175.87 3dfy n LEU 322 N -2.50 0.42 0.01 6.12 4.77 0.15 -3.46 117.00 122.50 3dfy n LEU 322 Ca 0.01 0.10 0.11 0.00 -0.03 0.00 0.00 56.01 56.20 3dfy n LEU 322 Cb 0.22 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 3dfy n LEU 322 CO 0.21 0.09 -0.33 0.23 -1.33 0.00 0.00 177.39 176.26 3dfy n MET 323 N -1.25 0.37 -2.89 3.23 2.81 -0.46 -4.97 117.12 113.95 3dfy n MET 323 Ca 0.09 -0.08 -0.18 0.00 -1.81 0.00 0.00 57.70 55.72 3dfy n MET 323 Cb 0.32 -1.54 0.02 0.00 -0.71 0.00 0.00 33.22 31.31 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 -3.96 3.52 -0.19 4.03 1.43 -1.18 -1.83 118.68 120.50 3dfy s LEU 324 Ca -0.00 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3dfy s LEU 324 Cb 0.15 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 3dfy s LEU 324 CO 0.87 -0.90 -0.05 -0.54 0.23 0.00 0.00 176.35 175.96 3dfy s LYS 325 N -4.49 3.47 -0.14 1.70 1.02 -0.62 -4.83 119.74 115.84 3dfy s LYS 325 Ca 0.56 -0.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 3dfy s LYS 325 Cb -0.10 -2.96 0.05 0.00 -0.52 0.00 0.00 37.83 34.31 3dfy s LYS 325 CO 0.35 -0.04 0.07 -1.21 -0.92 0.00 0.00 175.35 173.60 3dfy s GLU 326 N 1.07 0.18 0.28 1.68 2.02 -1.26 -4.57 118.70 118.11 3dfy s GLU 326 Ca 0.01 -0.04 0.02 0.00 0.02 0.00 0.00 54.97 54.98 3dfy s GLU 326 Cb -0.15 -1.56 0.62 0.00 0.10 0.00 0.00 34.13 33.14 3dfy s GLU 326 CO 0.00 -0.57 1.79 1.05 0.02 0.00 0.00 175.26 177.55 3dfy h GLU 327 N 8.38 0.75 -5.15 1.61 4.11 -2.03 -3.39 114.58 118.87 3dfy h GLU 327 Ca -0.15 -0.05 -0.60 0.00 0.07 0.00 0.00 59.36 58.63 3dfy h GLU 327 Cb 1.14 -0.17 -0.33 0.00 0.50 0.00 0.00 28.75 29.89 3dfy h GLU 327 CO 0.27 0.50 -0.85 0.54 0.07 0.00 0.00 179.01 179.54 3dfy s VAL 328 N -5.92 1.64 0.15 -1.06 0.11 -1.26 -5.11 120.40 108.94 3dfy s VAL 328 Ca -0.12 -0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 57.84 3dfy s VAL 328 Cb 0.23 -1.43 -0.08 0.00 -1.53 0.00 0.00 36.38 33.58 3dfy s VAL 328 CO 0.80 0.47 1.28 0.12 -3.33 0.00 0.00 175.10 174.43 3dfy s PHE 329 N 0.33 3.33 -0.13 1.54 5.36 -1.26 -4.93 117.98 122.22 3dfy s PHE 329 Ca -0.13 1.22 0.19 0.00 -0.96 0.00 0.00 56.93 57.25 3dfy s PHE 329 Cb -0.16 -3.55 0.28 0.00 -0.34 0.00 0.00 43.02 39.26 3dfy s PHE 329 CO 0.05 -1.72 1.15 0.54 -1.46 0.00 0.00 175.22 173.78 3dfy n ARG 330 N 3.16 1.25 -3.36 10.12 1.74 -1.26 -5.04 116.66 123.27 3dfy n ARG 330 Ca 0.07 -2.55 -0.30 0.00 -0.77 0.00 0.00 57.85 54.31 3dfy n ARG 330 Cb 0.44 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 -2.84 2.00 -0.85 -0.13 0.00 -1.26 -3.90 107.32 100.33 3dfy s GLY 331 Ca 0.31 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 3dfy s GLY 331 CO 0.03 -0.35 1.99 0.28 0.00 0.00 0.00 173.10 175.05 3dfy n LYS 332 N -0.66 2.97 -3.90 2.90 5.02 -1.26 -4.90 118.16 118.32 3dfy n LYS 332 Ca -0.01 -3.63 -0.09 0.00 -2.02 0.00 0.00 58.31 52.56 3dfy n LYS 332 Cb 0.53 -2.28 -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 -4.09 0.17 -0.19 2.13 -0.12 -1.26 -4.80 117.98 109.81 3dfy s PHE 333 Ca 0.51 -0.64 -0.04 0.00 -0.05 0.00 0.00 56.93 56.70 3dfy s PHE 333 Cb 0.42 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 43.33 3dfy s PHE 333 CO -0.39 -1.27 -0.02 0.42 -0.05 0.00 0.00 175.22 173.92 3dfy s ILE 334 N -3.39 3.86 -0.34 -4.49 1.01 0.13 -4.97 121.20 113.01 3dfy s ILE 334 Ca 0.17 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 3dfy s ILE 334 Cb -0.04 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3dfy s ILE 334 CO 0.10 0.44 0.23 -1.58 0.00 0.00 0.00 174.94 174.14 3dfy s GLN 335 N 0.90 3.51 -0.44 2.79 2.00 -1.26 -1.40 119.66 125.77 3dfy s GLN 335 Ca 0.00 -0.63 0.02 0.00 -2.00 0.00 0.00 55.36 52.76 3dfy s GLN 335 Cb -0.14 -3.79 0.13 0.00 0.80 0.00 0.00 33.01 30.00 3dfy s GLN 335 CO 0.02 -0.43 0.22 0.34 -0.50 0.00 0.00 175.29 174.94 3dfy s ASP 336 N 1.72 3.90 0.90 6.67 2.15 0.16 -5.01 116.67 127.17 3dfy s ASP 336 Ca 0.06 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.45 3dfy s ASP 336 Cb -0.17 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 3dfy s ASP 336 CO 0.10 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 3dfy n GLY 337 N 3.62 2.50 0.00 2.66 0.00 -1.26 -1.33 105.19 111.37 3dfy n GLY 337 Ca 0.06 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 0.87 -4.25 1.61 -0.04 -1.26 -4.82 135.00 140.67 3dfy n PRO 338 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 3dfy n PRO 338 Cb 0.00 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.55 -0.05 0.54 0.52 -0.44 -0.39 118.95 119.68 3dfy s ARG 339 Ca 0.17 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 3dfy s ARG 339 Cb 0.08 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 33.02 3dfy s ARG 339 CO 0.13 0.57 -0.16 -1.64 0.02 0.00 0.00 175.30 174.23 3dfy s MET 340 N -1.92 1.75 0.23 3.54 -1.94 0.18 0.38 119.30 121.53 3dfy s MET 340 Ca 0.22 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 3dfy s MET 340 Cb -0.11 -1.50 -0.05 0.00 2.01 0.00 0.00 34.83 35.18 3dfy s MET 340 CO 0.13 0.18 0.11 1.03 -0.01 0.00 0.00 175.02 176.47 3dfy s ARG 341 N 0.20 1.30 0.23 2.03 0.52 -0.49 -1.43 118.95 121.31 3dfy s ARG 341 Ca -0.07 -1.69 0.06 0.00 -0.52 0.00 0.00 55.73 53.51 3dfy s ARG 341 Cb -0.12 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 3dfy s ARG 341 CO 0.03 -0.33 0.20 0.54 0.02 0.00 0.00 175.30 175.76 3dfy s VAL 342 N -3.94 4.53 -2.95 3.52 0.11 -1.25 0.18 120.40 120.60 3dfy s VAL 342 Ca 0.38 -1.31 0.24 0.00 -2.93 0.00 0.00 61.98 58.36 3dfy s VAL 342 Cb 0.07 -3.43 0.22 0.00 -1.53 0.00 0.00 36.38 31.72 3dfy s VAL 342 CO 0.12 -0.30 1.30 0.29 -3.33 0.00 0.00 175.10 173.18