#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 3.88 -0.04 0.55 1.01 -0.72 -0.61 121.20 125.29 3dfy s ILE 4 Ca 0.00 1.48 0.08 0.00 0.00 0.00 0.00 60.65 62.21 3dfy s ILE 4 Cb 0.00 -3.95 -0.12 0.00 0.01 0.00 0.00 42.46 38.41 3dfy s ILE 4 CO 0.00 0.19 0.12 1.33 0.00 0.00 0.00 174.94 176.58 3dfy n VAL 5 N 3.12 0.20 -3.71 2.92 0.24 0.25 -0.91 118.33 120.45 3dfy n VAL 5 Ca 0.06 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 3dfy n VAL 5 Cb 0.46 -0.11 -0.08 0.00 -1.47 0.00 0.00 33.84 32.63 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 -3.34 -0.33 -0.03 -1.34 2.47 -1.08 -4.93 114.94 106.37 3dfy s ASN 6 Ca -0.03 0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.59 3dfy s ASN 6 Cb 0.04 0.45 0.03 0.00 -1.45 0.00 0.00 41.25 40.32 3dfy s ASN 6 CO 0.33 -0.43 0.02 -0.69 -3.72 0.00 0.00 177.10 172.61 3dfy s VAL 7 N -1.05 0.05 0.00 -5.21 1.01 -1.26 -0.84 120.40 113.10 3dfy s VAL 7 Ca -0.11 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3dfy s VAL 7 Cb -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 3dfy s VAL 7 CO 0.05 0.12 -0.01 -1.59 0.00 0.00 0.00 175.10 173.67 3dfy s LYS 8 N 1.13 0.07 -0.09 2.72 -2.85 -0.62 -4.78 119.74 115.32 3dfy s LYS 8 Ca -0.08 -0.14 -0.01 0.00 -1.00 0.00 0.00 55.97 54.74 3dfy s LYS 8 Cb -0.13 0.03 -0.03 0.00 -2.06 0.00 0.00 37.83 35.63 3dfy s LYS 8 CO -0.02 -0.01 -0.04 -0.51 0.10 0.00 0.00 175.35 174.86 3dfy s LEU 9 N -0.34 3.31 -0.02 2.77 1.02 -1.26 -0.68 118.68 123.49 3dfy s LEU 9 Ca -0.04 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.14 3dfy s LEU 9 Cb -0.02 -1.75 0.01 0.00 0.02 0.00 0.00 46.19 44.45 3dfy s LEU 9 CO -0.00 0.33 -0.05 -0.44 0.02 0.00 0.00 176.35 176.21 3dfy s SER 10 N -0.62 0.77 0.16 2.29 0.01 0.61 -4.93 113.70 111.99 3dfy s SER 10 Ca 0.10 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 3dfy s SER 10 Cb -0.12 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 65.80 3dfy s SER 10 CO 0.02 0.01 1.19 -0.22 0.41 0.00 0.00 173.24 174.65 3dfy s LEU 11 N 0.36 4.44 -0.05 2.44 2.96 -1.26 -0.00 118.68 127.57 3dfy s LEU 11 Ca -0.04 2.18 -0.01 0.00 -0.22 0.00 0.00 54.13 56.04 3dfy s LEU 11 Cb -0.08 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.04 3dfy s LEU 11 CO -0.00 -0.38 0.02 -0.54 -1.32 0.00 0.00 176.35 174.13 3dfy s LYS 12 N 0.01 0.31 -0.02 1.98 -0.14 0.12 -4.91 119.74 117.08 3dfy s LYS 12 Ca 0.54 0.16 -0.02 0.00 -1.36 0.00 0.00 55.97 55.29 3dfy s LYS 12 Cb -0.32 -0.65 -0.04 0.00 -1.68 0.00 0.00 37.83 35.14 3dfy s LYS 12 CO 0.35 -0.24 0.13 1.03 -0.76 0.00 0.00 175.35 175.86 3dfy s ARG 13 N 1.62 3.27 -0.06 1.68 0.52 -1.26 -0.62 118.95 124.10 3dfy s ARG 13 Ca -0.01 -0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 3dfy s ARG 13 Cb -0.13 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.37 3dfy s ARG 13 CO -0.03 0.68 0.02 0.71 0.02 0.00 0.00 175.30 176.69 3dfy s TYR 14 N -1.23 0.49 -0.00 -0.53 2.02 -0.22 -4.97 117.35 112.93 3dfy s TYR 14 Ca 0.24 -0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 3dfy s TYR 14 Cb -0.12 -0.69 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 3dfy s TYR 14 CO 0.15 -0.28 1.22 -2.00 -1.57 0.00 0.00 175.55 173.07 3dfy s GLU 15 N 1.94 4.38 0.49 -0.62 2.12 -1.26 0.03 118.70 125.78 3dfy s GLU 15 Ca 0.04 1.74 -0.21 0.00 0.36 0.00 0.00 54.97 56.91 3dfy s GLU 15 Cb -0.12 -3.47 -0.08 0.00 0.26 0.00 0.00 34.13 30.72 3dfy s GLU 15 CO -0.04 -0.38 1.07 0.71 -0.54 0.00 0.00 175.26 176.08 3dfy s TYR 16 N 1.76 2.94 0.21 5.30 2.02 -1.26 -1.52 117.35 126.79 3dfy s TYR 16 Ca 0.58 1.57 0.03 0.00 -0.37 0.00 0.00 57.07 58.89 3dfy s TYR 16 Cb -0.27 -3.15 0.16 0.00 -0.40 0.00 0.00 41.96 38.29 3dfy s TYR 16 CO 0.25 -1.04 1.50 1.49 -1.57 0.00 0.00 175.55 176.18 3dfy h GLU 17 N 1.62 0.24 -3.42 -0.62 4.57 -1.58 -3.45 114.58 111.93 3dfy h GLU 17 Ca -0.49 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 57.44 3dfy h GLU 17 Cb 1.23 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 29.73 3dfy h GLU 17 CO 0.59 0.84 -0.08 0.15 -1.18 0.00 0.00 179.01 179.33 3dfy s LYS 18 N -3.58 1.10 -0.81 1.92 -0.14 -1.26 -5.13 119.74 111.83 3dfy s LYS 18 Ca -0.04 -0.75 -0.29 0.00 -1.36 0.00 0.00 55.97 53.54 3dfy s LYS 18 Cb 0.11 0.47 -0.17 0.00 -1.68 0.00 0.00 37.83 36.56 3dfy s LYS 18 CO 0.81 -0.43 2.58 -2.30 -0.76 0.00 0.00 175.35 175.25 3dfy n PRO 19 N -0.23 0.38 -1.41 -1.68 -0.02 -1.26 -5.10 135.00 125.67 3dfy n PRO 19 Ca -0.15 -0.02 -0.39 0.00 -2.02 0.00 0.00 63.50 60.92 3dfy n PRO 19 Cb 0.64 -2.23 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 3dfy n PRO 19 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3dfy n GLU 29 N 8.61 0.40 -3.94 -0.52 2.13 -1.26 -5.03 120.64 121.03 3dfy n GLU 29 Ca 0.55 0.15 -0.28 0.00 0.66 0.00 0.00 57.16 58.25 3dfy n GLU 29 Cb 0.23 -1.49 -0.17 0.00 0.27 0.00 0.00 31.44 30.28 3dfy n GLU 29 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3dfy s SER 30 N -1.08 2.41 -0.32 4.31 0.15 0.10 -4.83 113.70 114.45 3dfy s SER 30 Ca 0.65 -0.40 -0.10 0.00 0.70 0.00 0.00 55.95 56.79 3dfy s SER 30 Cb -0.49 -0.95 -0.00 0.00 -1.71 0.00 0.00 66.02 62.86 3dfy s SER 30 CO 0.58 -0.11 0.17 -0.13 1.20 0.00 0.00 173.24 174.95 3dfy s ARG 31 N 1.63 3.28 0.43 5.44 0.52 -1.26 -1.05 118.95 127.94 3dfy s ARG 31 Ca 0.04 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.56 3dfy s ARG 31 Cb -0.13 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 3dfy s ARG 31 CO -0.09 -0.46 0.18 -0.80 0.02 0.00 0.00 175.30 174.15 3dfy s ASN 32 N 1.62 4.39 -0.27 0.23 0.01 0.21 -4.63 114.94 116.49 3dfy s ASN 32 Ca 0.04 -1.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.06 3dfy s ASN 32 Cb -0.17 -0.33 0.07 0.00 0.41 0.00 0.00 41.25 41.23 3dfy s ASN 32 CO 0.07 -0.61 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.34 3dfy s VAL 33 N -2.64 1.78 0.28 1.60 1.01 -0.28 -0.70 120.40 121.46 3dfy s VAL 33 Ca 0.38 -1.60 -0.28 0.00 0.00 0.00 0.00 61.98 60.48 3dfy s VAL 33 Cb 0.04 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 3dfy s VAL 33 CO 0.21 -0.27 0.94 -0.70 0.00 0.00 0.00 175.10 175.29 3dfy s GLU 34 N 1.24 4.71 -0.10 2.72 2.12 1.00 -1.09 118.70 129.30 3dfy s GLU 34 Ca -0.01 1.41 0.02 0.00 0.36 0.00 0.00 54.97 56.75 3dfy s GLU 34 Cb -0.19 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 3dfy s GLU 34 CO -0.08 0.39 -0.16 0.08 -0.54 0.00 0.00 175.26 174.95 3dfy s VAL 35 N -1.40 2.83 -0.17 3.70 1.01 0.37 -0.28 120.40 126.45 3dfy s VAL 35 Ca 0.46 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3dfy s VAL 35 Cb -0.22 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3dfy s VAL 35 CO 0.28 0.55 -0.17 -0.70 0.00 0.00 0.00 175.10 175.05 3dfy s GLU 36 N 0.09 2.67 -0.16 2.72 2.12 0.15 -2.10 118.70 124.19 3dfy s GLU 36 Ca -0.07 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 54.44 3dfy s GLU 36 Cb -0.15 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 3dfy s GLU 36 CO 0.05 -0.25 0.02 0.42 -0.54 0.00 0.00 175.26 174.96 3dfy s ILE 37 N 1.35 4.41 -0.13 -3.70 1.01 -0.32 -1.59 121.20 122.23 3dfy s ILE 37 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3dfy s ILE 37 Cb -0.13 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3dfy s ILE 37 CO -0.12 0.49 -0.21 -0.69 0.00 0.00 0.00 174.94 174.41 3dfy s VAL 38 N 0.26 2.17 0.29 2.92 1.01 -0.02 -0.77 120.40 126.26 3dfy s VAL 38 Ca 0.01 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 3dfy s VAL 38 Cb -0.13 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3dfy s VAL 38 CO 0.01 0.55 0.49 -0.76 0.00 0.00 0.00 175.10 175.39 3dfy s LEU 39 N 0.68 4.11 0.65 3.92 1.02 -0.13 0.88 118.68 129.80 3dfy s LEU 39 Ca -0.10 0.45 0.42 0.00 0.02 0.00 0.00 54.13 54.92 3dfy s LEU 39 Cb -0.16 -3.27 2.29 0.00 0.02 0.00 0.00 46.19 45.07 3dfy s LEU 39 CO 0.01 -0.19 2.33 1.05 0.02 0.00 0.00 176.35 179.58 3dfy h GLU 40 N 1.30 0.00 0.00 1.70 4.11 -1.18 0.12 114.58 120.63 3dfy h GLU 40 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3dfy h GLU 40 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dfy h GLU 40 CO 0.64 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.59 3dfy n SER 41 N -3.18 0.00 0.00 3.06 3.41 -1.26 -4.87 113.62 110.78 3dfy n SER 41 Ca -0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3dfy n SER 41 Cb 0.09 -0.25 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 1.05 1.07 3.77 5.00 0.00 0.43 -5.04 105.19 111.46 3dfy n GLY 42 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.34 3.15 -0.09 1.61 1.01 -1.26 -4.79 120.40 117.69 3dfy s VAL 43 Ca 0.00 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.93 3dfy s VAL 43 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3dfy s VAL 43 CO 0.00 0.06 -0.15 -0.54 0.00 0.00 0.00 175.10 174.47 3dfy s LYS 44 N -2.42 2.12 -0.03 2.72 1.02 -1.26 -0.96 119.74 120.93 3dfy s LYS 44 Ca 0.59 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3dfy s LYS 44 Cb -0.30 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3dfy s LYS 44 CO 0.37 -0.01 0.00 0.20 -0.92 0.00 0.00 175.35 175.00 3dfy s GLY 45 N 0.81 1.87 -0.03 -3.33 0.00 0.05 -4.69 107.32 102.00 3dfy s GLY 45 Ca -0.11 -0.90 0.06 0.00 0.00 0.00 0.00 44.72 43.77 3dfy s GLY 45 CO 0.02 -0.74 -0.21 -0.19 0.00 0.00 0.00 173.10 171.98 3dfy s TYR 46 N -1.02 1.94 0.11 1.90 2.02 -1.26 -1.17 117.35 119.86 3dfy s TYR 46 Ca 0.18 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3dfy s TYR 46 Cb -0.11 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 3dfy s TYR 46 CO 0.08 -0.10 0.02 0.20 -1.57 0.00 0.00 175.55 174.18 3dfy s GLY 47 N -0.29 0.84 -0.04 0.71 0.00 -0.89 -4.14 107.32 103.51 3dfy s GLY 47 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3dfy s GLY 47 CO 0.01 -1.36 -0.02 1.85 0.00 0.00 0.00 173.10 173.57 3dfy s GLU 48 N -4.00 0.63 -0.31 2.90 2.12 -1.26 -0.48 118.70 118.31 3dfy s GLU 48 Ca 0.19 -0.01 -0.11 0.00 0.36 0.00 0.00 54.97 55.39 3dfy s GLU 48 Cb 0.08 -0.75 -0.03 0.00 0.26 0.00 0.00 34.13 33.69 3dfy s GLU 48 CO -0.02 -0.13 0.20 0.00 -0.54 0.00 0.00 175.26 174.76 3dfy s ALA 49 N 1.12 3.46 -0.64 6.30 0.00 -0.25 -4.50 121.76 127.25 3dfy s ALA 49 Ca -0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 3dfy s ALA 49 Cb -0.14 -2.51 0.16 0.00 0.00 0.00 0.00 23.12 20.64 3dfy s ALA 49 CO -0.01 -0.76 0.45 0.45 0.00 0.00 0.00 175.76 175.89 3dfy s SER 50 N 1.71 5.14 0.77 0.00 0.15 -1.26 -1.12 113.70 119.10 3dfy s SER 50 Ca 0.06 -3.01 -0.14 0.00 0.70 0.00 0.00 55.95 53.57 3dfy s SER 50 Cb -0.17 -1.82 0.06 0.00 -1.71 0.00 0.00 66.02 62.39 3dfy s SER 50 CO 0.10 -0.32 1.20 -2.16 1.20 0.00 0.00 173.24 173.26 3dfy s PRO 51 N -0.28 1.88 -0.12 5.44 0.04 -1.26 -4.61 135.00 136.08 3dfy s PRO 51 Ca 0.18 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 3dfy s PRO 51 Cb -0.19 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.58 3dfy s PRO 51 CO -0.04 -2.03 0.03 0.45 0.04 0.00 0.00 177.00 175.46 3dfy s SER 52 N -2.18 2.09 0.10 6.66 0.15 -1.26 -4.90 113.70 114.36 3dfy s SER 52 Ca 0.73 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 56.84 3dfy s SER 52 Cb -0.28 -0.42 -0.08 0.00 -1.71 0.00 0.00 66.02 63.53 3dfy s SER 52 CO 0.48 -0.26 1.44 0.15 1.20 0.00 0.00 173.24 176.25 3dfy h PHE 53 N 8.33 0.83 -0.26 3.44 3.57 -1.80 -0.50 116.94 130.55 3dfy h PHE 53 Ca -0.17 -0.24 -0.08 0.00 3.53 0.00 0.00 57.97 61.01 3dfy h PHE 53 Cb 1.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3dfy h PHE 53 CO 0.36 0.97 -0.15 -0.09 -2.23 0.00 0.00 178.31 177.17 3dfy h ARG 54 N 0.45 0.57 0.06 1.11 2.43 -1.93 -0.34 114.38 116.73 3dfy h ARG 54 Ca 0.05 -0.26 -0.19 0.00 -0.81 0.00 0.00 59.98 58.78 3dfy h ARG 54 Cb 0.81 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3dfy h ARG 54 CO 0.06 0.82 -0.98 0.28 -1.51 0.00 0.00 179.97 178.65 3dfy h VAL 55 N 0.30 1.22 -0.01 0.20 2.07 -1.97 -3.40 116.25 114.65 3dfy h VAL 55 Ca 0.06 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3dfy h VAL 55 Cb 0.67 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3dfy h VAL 55 CO 0.04 0.57 -0.33 0.59 0.02 0.00 0.00 177.57 178.46 3dfy n ASN 56 N -4.25 1.56 -0.34 0.57 3.02 -0.31 -4.98 115.26 110.53 3dfy n ASN 56 Ca -0.23 -1.28 -0.04 0.00 -0.03 0.00 0.00 54.58 53.00 3dfy n ASN 56 Cb 0.73 0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 40.36 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 1.13 0.70 3.90 7.41 0.00 -0.14 -4.94 105.19 113.25 3dfy n GLY 57 Ca 0.06 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.85 3.60 -0.04 1.61 2.02 -0.82 -4.83 118.70 118.37 3dfy s GLU 58 Ca 0.00 0.19 -0.00 0.00 0.02 0.00 0.00 54.97 55.18 3dfy s GLU 58 Cb 0.00 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.83 3dfy s GLU 58 CO 0.00 -0.10 0.00 1.03 0.02 0.00 0.00 175.26 176.21 3dfy s ARG 59 N -4.39 0.40 0.34 1.61 0.52 -1.26 -2.45 118.95 113.71 3dfy s ARG 59 Ca 0.47 0.09 0.14 0.00 -0.52 0.00 0.00 55.73 55.92 3dfy s ARG 59 Cb -0.10 -0.64 1.08 0.00 0.52 0.00 0.00 34.95 35.82 3dfy s ARG 59 CO 0.40 -0.18 1.67 -0.24 0.02 0.00 0.00 175.30 176.96 3dfy h VAL 60 N 6.27 0.31 0.00 3.52 3.04 -1.94 0.44 116.25 127.89 3dfy h VAL 60 Ca -0.34 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 3dfy h VAL 60 Cb 1.13 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 3dfy h VAL 60 CO 0.39 0.06 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.48 3dfy h GLU 61 N 0.33 0.00 -0.21 4.17 3.07 -1.99 -2.03 114.58 117.93 3dfy h GLU 61 Ca 0.73 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.38 3dfy h GLU 61 Cb 1.66 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.58 3dfy h GLU 61 CO -0.60 0.20 -0.70 0.00 -1.40 0.00 0.00 179.01 176.52 3dfy h ALA 62 N 1.80 0.36 0.38 3.43 0.00 -0.55 -2.39 119.26 122.29 3dfy h ALA 62 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3dfy h ALA 62 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dfy h ALA 62 CO 0.03 0.68 -0.18 -0.07 0.00 0.00 0.00 179.25 179.71 3dfy h LEU 63 N 0.60 -0.43 -1.08 0.00 4.07 -1.13 -2.95 115.31 114.38 3dfy h LEU 63 Ca -0.03 -0.03 0.15 0.00 0.08 0.00 0.00 57.88 58.05 3dfy h LEU 63 Cb 1.32 0.11 -0.09 0.00 1.08 0.00 0.00 40.66 43.08 3dfy h LEU 63 CO 0.15 -0.25 0.62 -0.07 -1.08 0.00 0.00 178.44 177.81 3dfy h LEU 64 N -0.59 0.82 -1.42 1.67 3.38 -1.42 -1.66 115.31 116.09 3dfy h LEU 64 Ca -0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dfy h LEU 64 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3dfy h LEU 64 CO 0.09 0.39 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3dfy h ALA 65 N 1.58 1.00 -0.44 1.53 0.00 -1.25 -2.88 119.26 118.81 3dfy h ALA 65 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3dfy h ALA 65 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dfy h ALA 65 CO -0.28 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.41 3dfy n ILE 66 N -2.55 2.50 -0.14 0.00 -5.35 -0.62 -4.65 119.36 108.54 3dfy n ILE 66 Ca 0.00 -1.60 -0.03 0.00 -0.27 0.00 0.00 62.75 60.85 3dfy n ILE 66 Cb 0.17 -0.24 0.04 0.00 -1.74 0.00 0.00 39.64 37.87 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 3.04 0.04 -0.69 6.28 4.81 -1.61 -1.81 114.58 124.63 3dfy h GLU 67 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dfy h GLU 67 Cb 1.71 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.05 3dfy h GLU 67 CO 0.36 0.03 0.44 -0.91 -0.73 0.00 0.00 179.01 178.20 3dfy h ASN 68 N 0.04 0.81 -0.51 1.04 2.35 -1.87 -1.84 115.58 115.60 3dfy h ASN 68 Ca 0.23 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3dfy h ASN 68 Cb 0.34 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3dfy h ASN 68 CO -0.44 0.61 0.31 0.00 -1.65 0.00 0.00 177.43 176.26 3dfy h ALA 69 N 1.24 0.65 -0.36 -0.83 0.00 -1.72 -0.91 119.26 117.33 3dfy h ALA 69 Ca 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3dfy h ALA 69 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3dfy h ALA 69 CO -0.05 0.03 0.23 0.28 0.00 0.00 0.00 179.25 179.73 3dfy h VAL 70 N 0.62 1.07 -0.72 0.00 2.07 -0.96 -0.42 116.25 117.91 3dfy h VAL 70 Ca 0.20 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3dfy h VAL 70 Cb -0.00 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3dfy h VAL 70 CO -0.08 0.08 0.37 -0.09 0.02 0.00 0.00 177.57 177.88 3dfy h ARG 71 N 0.46 1.01 0.00 1.57 2.43 -1.01 -1.71 114.38 117.13 3dfy h ARG 71 Ca 0.14 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3dfy h ARG 71 Cb -0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3dfy h ARG 71 CO -0.05 0.77 -0.25 1.49 -1.51 0.00 0.00 179.97 180.42 3dfy h GLU 72 N 0.99 0.00 -0.14 0.20 4.22 -0.82 0.10 114.58 119.14 3dfy h GLU 72 Ca 0.25 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.53 3dfy h GLU 72 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dfy h GLU 72 CO -0.04 0.25 -0.60 0.52 -2.18 0.00 0.00 179.01 176.97 3dfy h MET 73 N 0.00 0.46 0.00 1.92 2.86 -0.16 -3.38 114.93 116.63 3dfy h MET 73 Ca -0.00 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3dfy h MET 73 Cb 0.56 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3dfy h MET 73 CO 0.03 0.92 0.00 0.44 1.06 0.00 0.00 176.91 179.36 3dfy n ILE 74 N -3.92 0.05 -2.07 -1.22 -5.35 -1.03 -5.01 119.36 100.81 3dfy n ILE 74 Ca -0.03 -0.43 -0.41 0.00 -0.27 0.00 0.00 62.75 61.61 3dfy n ILE 74 Cb 0.63 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.66 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 -0.05 2.72 0.00 7.28 2.01 0.01 -2.72 115.64 124.89 3dfy s THR 75 Ca 0.00 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.65 3dfy s THR 75 Cb 0.00 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.10 3dfy s THR 75 CO 0.00 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 3dfy n GLY 76 N 1.65 0.88 3.77 4.40 0.00 -0.09 -4.97 105.19 110.84 3dfy n GLY 76 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3dfy n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 77 N -2.64 5.28 0.23 -0.61 1.01 -1.10 -4.72 121.20 118.64 3dfy s ILE 77 Ca 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 3dfy s ILE 77 Cb 0.00 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 3dfy s ILE 77 CO 0.00 0.46 1.15 -0.62 0.00 0.00 0.00 174.94 175.93 3dfy s ASP 78 N -0.08 7.17 0.28 3.58 -1.08 -1.26 -1.75 116.67 123.53 3dfy s ASP 78 Ca 0.18 2.25 0.24 0.00 -0.52 0.00 0.00 52.55 54.69 3dfy s ASP 78 Cb -0.14 -2.62 1.04 0.00 -1.46 0.00 0.00 42.92 39.74 3dfy s ASP 78 CO 0.06 -0.27 1.71 1.33 0.52 0.00 0.00 175.17 178.53 3dfy n VAL 79 N 1.89 0.86 0.29 1.11 0.24 -1.26 -1.63 118.33 119.83 3dfy n VAL 79 Ca 0.02 0.33 0.18 0.00 -2.04 0.00 0.00 64.34 62.82 3dfy n VAL 79 Cb 0.45 -1.28 0.74 0.00 -1.47 0.00 0.00 33.84 32.28 3dfy n VAL 79 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3dfy h ARG 80 N 0.00 0.00 -1.68 7.34 0.11 -1.96 -1.67 114.38 116.52 3dfy h ARG 80 Ca 0.00 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.36 3dfy h ARG 80 Cb 0.30 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 31.08 3dfy h ARG 80 CO 0.00 0.00 0.79 0.09 0.10 0.00 0.00 179.97 180.95 3dfy n ASN 81 N -3.05 7.21 0.27 0.08 3.02 -0.65 -4.77 115.26 117.38 3dfy n ASN 81 Ca 0.00 -3.81 0.15 0.00 -0.03 0.00 0.00 54.58 50.88 3dfy n ASN 81 Cb 0.27 -0.96 0.86 0.00 -0.61 0.00 0.00 39.78 39.34 3dfy n ASN 81 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3dfy h TYR 82 N 2.70 0.00 0.00 3.10 -0.00 -1.46 -1.33 116.97 119.99 3dfy h TYR 82 Ca 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.25 3dfy h TYR 82 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.07 3dfy h TYR 82 CO 1.19 0.00 -0.13 0.00 -0.00 0.00 0.00 178.16 179.23 3dfy h ALA 83 N 1.95 1.63 -0.12 0.10 0.00 -1.87 0.84 119.26 121.79 3dfy h ALA 83 Ca 0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 3dfy h ALA 83 Cb 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dfy h ALA 83 CO -0.00 0.16 -0.80 0.00 0.00 0.00 0.00 179.25 178.61 3dfy h ARG 84 N 0.00 0.75 -0.60 0.00 3.08 -1.64 -1.47 114.38 114.50 3dfy h ARG 84 Ca -0.00 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.39 3dfy h ARG 84 Cb 0.25 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3dfy h ARG 84 CO 0.02 1.25 0.35 0.82 -1.07 0.00 0.00 179.97 181.33 3dfy h ILE 85 N 0.46 1.19 -0.20 2.04 2.04 -1.33 -1.59 117.51 120.12 3dfy h ILE 85 Ca -0.07 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3dfy h ILE 85 Cb 1.44 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3dfy h ILE 85 CO 0.16 0.20 0.10 -0.26 0.00 0.00 0.00 178.15 178.35 3dfy h PHE 86 N 0.82 0.18 -0.02 1.37 -1.00 -0.77 -0.17 116.94 117.36 3dfy h PHE 86 Ca 0.21 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3dfy h PHE 86 Cb 0.02 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 3dfy h PHE 86 CO -0.01 0.10 0.00 1.49 -1.61 0.00 0.00 178.31 178.28 3dfy h GLU 87 N 0.21 0.01 -0.51 1.51 4.81 -0.97 -1.24 114.58 118.40 3dfy h GLU 87 Ca 0.08 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3dfy h GLU 87 Cb 0.02 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3dfy h GLU 87 CO -0.06 0.00 0.28 0.82 -0.73 0.00 0.00 179.01 179.33 3dfy h ILE 88 N 0.01 1.01 0.00 2.32 2.04 -1.15 -2.02 117.51 119.72 3dfy h ILE 88 Ca 0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3dfy h ILE 88 Cb 0.01 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3dfy h ILE 88 CO -0.01 0.10 0.00 0.35 0.00 0.00 0.00 178.15 178.59 3dfy n THR 89 N -4.83 0.76 0.30 -0.27 -2.24 -0.09 -2.14 114.28 105.78 3dfy n THR 89 Ca 0.04 0.14 0.17 0.00 -2.27 0.00 0.00 64.05 62.13 3dfy n THR 89 Cb 0.10 -0.95 0.78 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.45 -1.29 116.42 122.19 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 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 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 -2.86 0.17 -0.79 3.56 1.74 -0.91 -2.87 116.66 114.70 3dfy n ARG 91 Ca -0.00 0.38 -0.14 0.00 -0.77 0.00 0.00 57.85 57.32 3dfy n ARG 91 Cb 0.21 -1.82 0.04 0.00 -1.02 0.00 0.00 32.46 29.87 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 -2.14 6.05 0.30 0.55 4.77 -0.49 -4.50 117.00 121.53 3dfy n LEU 92 Ca 0.03 -3.06 0.20 0.00 -0.03 0.00 0.00 56.01 53.14 3dfy n LEU 92 Cb 0.24 -0.99 1.01 0.00 -2.33 0.00 0.00 43.42 41.35 3dfy n LEU 92 CO 0.20 1.12 1.09 2.19 -1.33 0.00 0.00 177.39 180.66 3dfy h PHE 93 N 1.25 0.00 -0.00 -1.77 -5.15 -1.75 0.16 116.94 109.67 3dfy h PHE 93 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 3dfy h PHE 93 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.24 3dfy h PHE 93 CO 0.73 0.00 -0.26 0.41 -2.00 0.00 0.00 178.31 177.19 3dfy n GLY 94 N -0.86 -1.27 2.51 6.09 0.00 -1.26 -3.94 105.19 106.46 3dfy n GLY 94 Ca -0.02 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.40 1.73 -0.33 1.61 3.72 0.53 -4.77 117.46 118.56 3dfy n PHE 95 Ca 0.07 -3.60 0.22 0.00 -0.05 0.00 0.00 57.45 54.09 3dfy n PHE 95 Cb 0.33 -0.39 0.49 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.40 -0.28 -1.08 0.13 -1.65 -0.94 132.00 131.54 3dfy h PRO 96 Ca 0.09 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.08 3dfy h PRO 96 Cb 0.88 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3dfy h PRO 96 CO 0.62 0.27 -0.33 0.66 -0.23 0.00 0.00 178.00 178.99 3dfy h SER 97 N 0.42 0.63 0.20 1.44 4.64 -1.83 -1.39 113.55 117.65 3dfy h SER 97 Ca 0.60 -0.25 -0.20 0.00 -0.47 0.00 0.00 61.79 61.47 3dfy h SER 97 Cb 1.47 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3dfy h SER 97 CO -0.31 0.91 -0.77 0.25 -0.87 0.00 0.00 176.83 176.04 3dfy h LEU 98 N 0.51 0.56 -0.74 5.97 5.85 -1.57 -2.29 115.31 123.60 3dfy h LEU 98 Ca 0.06 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.42 3dfy h LEU 98 Cb 0.82 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3dfy h LEU 98 CO 0.07 1.14 0.47 0.50 -0.34 0.00 0.00 178.44 180.28 3dfy h LYS 99 N 0.31 0.91 -0.02 1.25 3.64 -0.92 -0.65 116.57 121.10 3dfy h LYS 99 Ca -0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3dfy h LYS 99 Cb 1.36 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3dfy h LYS 99 CO 0.14 0.60 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 3dfy h ALA 100 N 1.31 0.02 -0.12 5.00 0.00 -1.11 -1.91 119.26 122.45 3dfy h ALA 100 Ca 0.29 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3dfy h ALA 100 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dfy h ALA 100 CO -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 179.25 178.76 3dfy h ALA 101 N 0.79 0.09 -0.78 0.00 0.00 -1.03 0.21 119.26 118.54 3dfy h ALA 101 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dfy h ALA 101 Cb 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3dfy h ALA 101 CO -0.00 -0.48 0.37 0.28 0.00 0.00 0.00 179.25 179.42 3dfy h VAL 102 N 0.01 1.24 -0.37 0.00 2.07 -1.15 0.17 116.25 118.23 3dfy h VAL 102 Ca 0.06 -0.69 -0.15 0.00 0.82 0.00 0.00 66.70 66.74 3dfy h VAL 102 Cb 0.08 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3dfy h VAL 102 CO -0.11 0.29 -0.34 1.56 0.02 0.00 0.00 177.57 178.99 3dfy h GLN 103 N 1.11 0.89 -0.05 1.57 4.20 -0.85 -2.13 115.11 119.83 3dfy h GLN 103 Ca 0.27 -0.46 -0.22 0.00 0.06 0.00 0.00 58.65 58.30 3dfy h GLN 103 Cb 0.12 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3dfy h GLN 103 CO -0.03 1.11 -0.86 0.35 -0.67 0.00 0.00 178.83 178.73 3dfy h PHE 104 N 0.69 0.72 -0.85 2.96 3.57 -0.34 -2.84 116.94 120.85 3dfy h PHE 104 Ca 0.06 -0.35 0.03 0.00 3.53 0.00 0.00 57.97 61.23 3dfy h PHE 104 Cb 0.93 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 3dfy h PHE 104 CO 0.06 1.16 0.56 0.00 -2.23 0.00 0.00 178.31 177.86 3dfy h ALA 105 N 0.73 1.45 -0.34 2.41 0.00 -0.64 0.22 119.26 123.09 3dfy h ALA 105 Ca -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dfy h ALA 105 Cb 1.47 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3dfy h ALA 105 CO 0.16 0.48 0.20 1.15 0.00 0.00 0.00 179.25 181.23 3dfy h THR 106 N 1.09 1.04 -0.20 0.00 2.02 -1.24 -0.63 112.91 114.99 3dfy h THR 106 Ca 0.33 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 3dfy h THR 106 Cb -0.02 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3dfy h THR 106 CO -0.09 0.08 -0.53 -0.07 0.37 0.00 0.00 175.52 175.28 3dfy h LEU 107 N 0.41 0.63 -0.64 2.58 3.38 -1.05 -1.13 115.31 119.49 3dfy h LEU 107 Ca 0.13 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3dfy h LEU 107 Cb -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3dfy h LEU 107 CO -0.06 1.03 0.42 -0.78 0.09 0.00 0.00 178.44 179.15 3dfy h ASP 108 N 0.44 0.75 -0.38 -0.43 3.58 -0.33 0.32 116.42 120.36 3dfy h ASP 108 Ca 0.01 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 3dfy h ASP 108 Cb 1.06 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 3dfy h ASP 108 CO 0.10 0.55 -0.02 0.00 -2.88 0.00 0.00 179.24 176.99 3dfy h ALA 109 N 1.23 0.52 0.07 -0.78 0.00 -0.94 -2.84 119.26 116.51 3dfy h ALA 109 Ca 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 109 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3dfy h ALA 109 CO -0.05 0.31 -0.03 1.25 0.00 0.00 0.00 179.25 180.73 3dfy h LEU 110 N 0.51 -0.08 -1.18 0.00 5.85 -0.80 -2.00 115.31 117.61 3dfy h LEU 110 Ca 0.11 -0.19 0.25 0.00 0.84 0.00 0.00 57.88 58.89 3dfy h LEU 110 Cb 0.50 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 3dfy h LEU 110 CO 0.02 0.14 0.63 0.77 -0.34 0.00 0.00 178.44 179.67 3dfy h SER 111 N -0.30 0.58 -0.11 1.25 4.64 -0.38 0.15 113.55 119.38 3dfy h SER 111 Ca -0.01 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3dfy h SER 111 Cb 0.26 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3dfy h SER 111 CO 0.02 0.12 -0.02 1.56 -0.87 0.00 0.00 176.83 177.63 3dfy h GLN 112 N 0.52 0.21 0.00 4.77 4.20 -1.22 0.24 115.11 123.83 3dfy h GLN 112 Ca 0.61 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.24 3dfy h GLN 112 Cb 1.31 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.08 3dfy h GLN 112 CO -0.37 0.51 0.00 0.93 -0.67 0.00 0.00 178.83 179.23 3dfy h GLU 113 N -0.10 0.00 -0.13 1.46 5.08 -0.06 -1.02 114.58 119.82 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 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3dfy h GLU 113 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 3dfy n LEU 114 N -2.56 2.86 -2.30 1.33 4.77 -0.07 -4.98 117.00 116.05 3dfy n LEU 114 Ca -0.01 -1.16 -0.16 0.00 -0.03 0.00 0.00 56.01 54.65 3dfy n LEU 114 Cb 0.13 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3dfy n LEU 114 CO 0.17 0.54 0.02 0.61 -1.33 0.00 0.00 177.39 177.40 3dfy n GLY 115 N 1.18 -0.18 0.00 -0.72 0.00 -0.39 -5.00 105.19 100.08 3dfy n GLY 115 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.19 0.00 -4.46 2.61 5.66 0.75 -5.02 114.28 109.63 3dfy n THR 116 Ca -0.07 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.63 3dfy n THR 116 Cb 0.58 0.00 -0.13 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 -1.44 1.59 0.25 1.09 -0.21 -1.26 -3.99 119.66 115.68 3dfy s GLN 117 Ca 0.00 -1.25 -0.07 0.00 0.02 0.00 0.00 55.36 54.05 3dfy s GLN 117 Cb 0.00 -1.98 0.43 0.00 1.00 0.00 0.00 33.01 32.46 3dfy s GLN 117 CO 0.00 0.47 1.63 0.28 -2.12 0.00 0.00 175.29 175.55 3dfy h VAL 118 N 3.86 0.31 -0.85 1.09 2.07 -1.92 0.94 116.25 121.74 3dfy h VAL 118 Ca -0.50 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.14 3dfy h VAL 118 Cb 1.16 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3dfy h VAL 118 CO 0.42 0.01 0.55 0.00 0.02 0.00 0.00 177.57 178.58 3dfy h TYR 120 N 0.60 0.47 -0.33 0.00 0.05 -1.19 0.23 116.97 116.80 3dfy h TYR 120 Ca 0.43 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 3dfy h TYR 120 Cb 0.78 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 3dfy h TYR 120 CO -0.00 1.12 0.13 1.25 -1.05 0.00 0.00 178.16 179.61 3dfy h LEU 121 N 0.15 0.42 -0.58 3.88 5.85 -0.11 -1.18 115.31 123.74 3dfy h LEU 121 Ca -0.08 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3dfy h LEU 121 Cb 1.64 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3dfy h LEU 121 CO 0.16 0.38 0.00 0.18 -0.34 0.00 0.00 178.44 178.83 3dfy n LEU 122 N -4.40 0.89 0.00 2.25 4.77 -0.03 -4.88 117.00 115.59 3dfy n LEU 122 Ca 0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3dfy n LEU 122 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3dfy n LEU 122 CO 0.36 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3dfy n GLY 123 N 1.06 1.48 4.09 -0.72 0.00 -0.45 -3.97 105.19 106.69 3dfy n GLY 123 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3dfy n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfy n GLY 124 N 0.00 -0.42 0.11 -0.02 0.00 0.79 -4.88 105.19 100.77 3dfy n GLY 124 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.72 0.28 -5.95 1.61 1.63 -0.76 -3.46 116.57 108.20 3dfy h LYS 125 Ca -0.59 -0.03 -0.53 0.00 -0.85 0.00 0.00 60.65 58.65 3dfy h LYS 125 Cb 1.38 -0.05 -0.17 0.00 -0.60 0.00 0.00 32.23 32.79 3dfy h LYS 125 CO 0.72 0.26 -0.77 1.03 -3.45 0.00 0.00 179.45 177.24 3dfy s ARG 126 N -5.87 1.34 -0.03 1.90 0.52 0.19 -4.96 118.95 112.04 3dfy s ARG 126 Ca -0.13 -1.48 0.22 0.00 -0.52 0.00 0.00 55.73 53.81 3dfy s ARG 126 Cb 0.08 -1.37 -0.32 0.00 0.52 0.00 0.00 34.95 33.86 3dfy s ARG 126 CO 0.70 0.27 0.53 -0.25 0.02 0.00 0.00 175.30 176.57 3dfy n ASP 127 N 0.10 0.20 -3.78 0.23 8.00 -1.26 -4.59 116.55 115.43 3dfy n ASP 127 Ca -0.11 -0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.12 3dfy n ASP 127 Cb 0.58 1.85 -0.10 0.00 -0.02 0.00 0.00 41.12 43.42 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 -3.42 0.46 0.12 -1.24 2.12 -1.26 -4.06 118.70 111.41 3dfy s GLU 128 Ca -0.06 0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.42 3dfy s GLU 128 Cb 0.14 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 3dfy s GLU 128 CO 0.89 -0.09 -0.10 0.96 -0.54 0.00 0.00 175.26 176.38 3dfy s ILE 129 N -0.51 1.03 -0.07 -3.70 -4.36 -0.62 -4.99 121.20 107.99 3dfy s ILE 129 Ca -0.06 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 3dfy s ILE 129 Cb -0.04 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3dfy s ILE 129 CO 0.02 -0.71 -0.19 -0.70 0.24 0.00 0.00 174.94 173.59 3dfy s GLU 130 N -3.48 2.24 0.24 0.37 2.12 -1.26 -0.42 118.70 118.51 3dfy s GLU 130 Ca 0.13 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 54.83 3dfy s GLU 130 Cb 0.01 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 3dfy s GLU 130 CO -0.01 0.20 0.27 -0.08 -0.54 0.00 0.00 175.26 175.10 3dfy s THR 131 N 0.24 4.85 0.46 -1.70 -1.32 0.13 -3.93 115.64 114.36 3dfy s THR 131 Ca -0.11 -1.18 0.02 0.00 -1.21 0.00 0.00 61.69 59.21 3dfy s THR 131 Cb -0.15 -3.62 0.09 0.00 -1.51 0.00 0.00 72.50 67.31 3dfy s THR 131 CO 0.05 -0.33 0.63 -0.90 -2.21 0.00 0.00 174.62 171.86 3dfy n ASP 132 N -1.25 1.05 -4.00 8.08 5.68 -0.22 -4.75 116.55 121.14 3dfy n ASP 132 Ca -0.08 -1.84 -0.12 0.00 -0.50 0.00 0.00 54.79 52.25 3dfy n ASP 132 Cb 0.57 -0.39 -0.12 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 0.39 -0.04 0.11 2.20 -1.12 -4.41 119.74 112.80 3dfy s LYS 133 Ca 0.43 -0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 55.39 3dfy s LYS 133 Cb -0.03 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.10 3dfy s LYS 133 CO 0.28 0.02 0.27 0.99 -0.36 0.00 0.00 175.35 176.55 3dfy s THR 134 N -1.09 5.29 -0.43 3.43 2.01 -1.26 -1.22 115.64 122.36 3dfy s THR 134 Ca -0.09 0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 3dfy s THR 134 Cb -0.08 -3.55 0.10 0.00 0.01 0.00 0.00 72.50 68.98 3dfy s THR 134 CO -0.00 0.52 0.26 -0.69 -0.69 0.00 0.00 174.62 174.02 3dfy s VAL 135 N -1.14 3.91 1.23 3.82 1.01 0.70 -4.95 120.40 124.99 3dfy s VAL 135 Ca 0.22 -1.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.28 3dfy s VAL 135 Cb -0.14 -3.53 0.31 0.00 0.00 0.00 0.00 36.38 33.02 3dfy s VAL 135 CO 0.11 -0.63 1.05 0.61 0.00 0.00 0.00 175.10 176.23 3dfy n GLY 136 N 4.81 -2.89 3.73 4.51 0.00 -1.26 -2.19 105.19 111.90 3dfy n GLY 136 Ca -0.07 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3dfy n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 137 N -2.85 4.41 0.01 -0.61 1.01 -1.26 -4.74 121.20 117.16 3dfy s ILE 137 Ca 0.69 1.94 -0.02 0.00 0.00 0.00 0.00 60.65 63.26 3dfy s ILE 137 Cb -0.07 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.16 3dfy s ILE 137 CO 0.53 0.27 0.09 -0.67 0.00 0.00 0.00 174.94 175.17 3dfy n ASP 138 N 2.96 -0.14 -4.74 3.58 -0.08 -1.26 -5.06 116.55 111.82 3dfy n ASP 138 Ca 0.03 -1.06 -0.35 0.00 -1.51 0.00 0.00 54.79 51.91 3dfy n ASP 138 Cb 0.49 0.22 0.07 0.00 2.34 0.00 0.00 41.12 44.23 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 -2.43 2.54 0.41 5.18 -4.23 -1.26 -4.75 115.64 111.09 3dfy s THR 139 Ca 0.02 0.28 0.14 0.00 -1.18 0.00 0.00 61.69 60.96 3dfy s THR 139 Cb -0.00 -2.91 0.35 0.00 1.34 0.00 0.00 72.50 71.28 3dfy s THR 139 CO 0.00 -0.13 1.90 0.58 -0.54 0.00 0.00 174.62 176.43 3dfy h VAL 140 N 0.10 0.78 -0.14 2.29 2.07 -1.99 -1.06 116.25 118.29 3dfy h VAL 140 Ca -0.48 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3dfy h VAL 140 Cb 1.29 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3dfy h VAL 140 CO 0.52 0.09 -0.01 -0.33 0.02 0.00 0.00 177.57 177.86 3dfy h GLU 141 N 0.48 0.25 -0.24 1.57 5.08 -2.00 -2.43 114.58 117.31 3dfy h GLU 141 Ca 0.41 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 3dfy h GLU 141 Cb 0.87 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3dfy h GLU 141 CO -0.15 0.50 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.25 3dfy h ASN 142 N -0.01 0.41 -0.26 1.42 -0.26 -1.67 -2.19 115.58 113.02 3dfy h ASN 142 Ca 0.04 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 3dfy h ASN 142 Cb 0.39 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 3dfy h ASN 142 CO 0.01 0.63 0.12 0.03 -1.06 0.00 0.00 177.43 177.15 3dfy h ARG 143 N 0.38 0.37 -0.08 0.81 3.08 -1.17 -0.53 114.38 117.25 3dfy h ARG 143 Ca 0.06 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3dfy h ARG 143 Cb 0.57 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3dfy h ARG 143 CO 0.04 0.38 0.04 0.28 -1.07 0.00 0.00 179.97 179.64 3dfy h VAL 144 N 0.28 1.03 0.05 2.04 2.07 -1.20 -0.33 116.25 120.18 3dfy h VAL 144 Ca 0.09 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3dfy h VAL 144 Cb 0.13 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3dfy h VAL 144 CO -0.01 0.03 -0.02 0.50 0.02 0.00 0.00 177.57 178.09 3dfy h LYS 145 N 0.11 -0.06 -0.51 1.57 1.63 -0.68 -1.98 116.57 116.66 3dfy h LYS 145 Ca 0.03 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3dfy h LYS 145 Cb 0.01 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 3dfy h LYS 145 CO -0.00 0.39 0.30 0.93 -3.45 0.00 0.00 179.45 177.61 3dfy h GLU 146 N -0.53 0.58 -0.08 1.90 5.08 -0.64 -2.15 114.58 118.75 3dfy h GLU 146 Ca -0.01 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3dfy h GLU 146 Cb 0.47 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3dfy h GLU 146 CO 0.01 0.38 -0.29 0.00 -1.00 0.00 0.00 179.01 178.11 3dfy h ALA 147 N 1.23 -0.36 -0.03 3.43 0.00 -1.06 0.17 119.26 122.64 3dfy h ALA 147 Ca 0.20 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3dfy h ALA 147 Cb 0.02 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3dfy h ALA 147 CO -0.09 -0.78 -0.15 0.87 0.00 0.00 0.00 179.25 179.10 3dfy h LYS 148 N -0.39 -0.22 -0.01 0.00 1.57 -1.12 0.21 116.57 116.59 3dfy h LYS 148 Ca 0.08 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3dfy h LYS 148 Cb 0.52 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 3dfy h LYS 148 CO -0.31 -0.15 -0.29 -0.22 -0.57 0.00 0.00 179.45 177.92 3dfy h LYS 149 N -0.23 -0.41 -0.35 3.15 3.64 -1.04 0.35 116.57 121.69 3dfy h LYS 149 Ca 0.06 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3dfy h LYS 149 Cb 0.31 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 3dfy h LYS 149 CO -0.16 -0.27 -0.01 0.82 -2.27 0.00 0.00 179.45 177.55 3dfy h ILE 150 N -0.43 0.73 -0.50 2.00 2.04 -0.31 0.44 117.51 121.48 3dfy h ILE 150 Ca 0.07 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3dfy h ILE 150 Cb 0.52 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3dfy h ILE 150 CO -0.25 0.02 0.15 0.15 0.00 0.00 0.00 178.15 178.21 3dfy h PHE 151 N 0.08 0.76 0.00 1.37 3.57 -0.13 -1.50 116.94 121.09 3dfy h PHE 151 Ca 0.17 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3dfy h PHE 151 Cb 0.23 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3dfy h PHE 151 CO -0.25 0.63 -0.29 1.49 -2.23 0.00 0.00 178.31 177.66 3dfy h GLU 152 N 0.73 0.00 0.00 1.11 4.81 0.80 -2.33 114.58 119.70 3dfy h GLU 152 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3dfy h GLU 152 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3dfy h GLU 152 CO -0.01 0.29 0.00 0.39 -0.73 0.00 0.00 179.01 178.95 3dfy n GLU 153 N -3.75 0.50 0.00 1.92 1.02 0.04 -4.88 120.64 115.48 3dfy n GLU 153 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3dfy n GLU 153 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.83 1.59 3.71 0.62 0.00 -0.88 -4.77 105.19 106.30 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 -2.29 2.85 -0.89 1.61 0.08 -1.16 -4.85 117.98 113.32 3dfy s PHE 155 Ca 0.00 0.40 0.09 0.00 0.12 0.00 0.00 56.93 57.54 3dfy s PHE 155 Cb 0.00 -4.05 0.17 0.00 -0.57 0.00 0.00 43.02 38.56 3dfy s PHE 155 CO 0.00 -4.02 1.02 0.54 -0.10 0.00 0.00 175.22 172.66 3dfy n ARG 156 N 4.28 1.75 -3.79 0.44 5.12 -1.26 -4.45 116.66 118.75 3dfy n ARG 156 Ca 0.15 -1.55 -0.25 0.00 -1.93 0.00 0.00 57.85 54.28 3dfy n ARG 156 Cb 0.37 -1.19 -0.17 0.00 -1.16 0.00 0.00 32.46 30.30 3dfy n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dfy s VAL 157 N -0.89 0.53 -0.13 1.55 1.01 -1.26 0.30 120.40 121.52 3dfy s VAL 157 Ca 0.15 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3dfy s VAL 157 Cb 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3dfy s VAL 157 CO 0.12 0.15 -0.20 -0.63 0.00 0.00 0.00 175.10 174.54 3dfy s ILE 158 N 1.89 2.34 -0.20 2.22 1.01 -0.10 -2.78 121.20 125.58 3dfy s ILE 158 Ca 0.03 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 3dfy s ILE 158 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3dfy s ILE 158 CO -0.06 0.54 0.44 -0.75 0.00 0.00 0.00 174.94 175.10 3dfy s LYS 159 N 0.61 4.19 -0.27 2.79 2.20 -0.36 -1.74 119.74 127.16 3dfy s LYS 159 Ca -0.11 0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.73 3dfy s LYS 159 Cb -0.16 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3dfy s LYS 159 CO 0.03 -0.06 0.02 0.42 -0.36 0.00 0.00 175.35 175.40 3dfy s ILE 160 N 1.36 3.58 0.05 5.43 1.01 0.21 -0.22 121.20 132.62 3dfy s ILE 160 Ca 0.21 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 3dfy s ILE 160 Cb -0.15 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 3dfy s ILE 160 CO 0.09 0.17 0.92 -0.54 0.00 0.00 0.00 174.94 175.57 3dfy s LYS 161 N 1.45 4.60 0.00 2.79 1.02 -0.93 -1.52 119.74 127.15 3dfy s LYS 161 Ca 0.02 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.35 3dfy s LYS 161 Cb -0.17 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 3dfy s LYS 161 CO -0.00 0.12 0.00 1.33 -0.92 0.00 0.00 175.35 175.88 3dfy n VAL 162 N 3.26 0.00 0.00 3.17 0.24 -0.27 -4.48 118.33 120.25 3dfy n VAL 162 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 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 1.33 0.24 7.63 0.00 -1.26 -4.10 105.19 109.03 3dfy n GLY 163 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3dfy n GLY 163 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dfy n GLU 164 N 0.00 1.69 -3.18 1.61 0.28 -1.26 -4.13 120.64 115.65 3dfy n GLU 164 Ca 0.00 -0.53 -0.10 0.00 -0.16 0.00 0.00 57.16 56.38 3dfy n GLU 164 Cb 0.00 -1.28 -0.04 0.00 1.43 0.00 0.00 31.44 31.55 3dfy n GLU 164 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3dfy s ASN 165 N -2.15 -0.24 0.26 -1.84 3.84 -1.26 -5.05 114.94 108.50 3dfy s ASN 165 Ca 0.11 -1.54 -0.10 0.00 0.21 0.00 0.00 52.86 51.54 3dfy s ASN 165 Cb 0.13 1.19 0.40 0.00 -0.55 0.00 0.00 41.25 42.42 3dfy s ASN 165 CO 0.50 -0.17 1.56 0.25 -2.79 0.00 0.00 177.10 176.46 3dfy h LEU 166 N 6.41 -0.99 -0.22 3.21 5.85 -1.98 0.45 115.31 128.04 3dfy h LEU 166 Ca 0.08 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 3dfy h LEU 166 Cb 1.09 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 3dfy h LEU 166 CO 0.14 -0.31 0.05 0.11 -0.34 0.00 0.00 178.44 178.09 3dfy h LYS 167 N -0.00 0.35 -0.33 1.25 1.57 -2.00 -1.68 116.57 115.73 3dfy h LYS 167 Ca 0.44 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3dfy h LYS 167 Cb 0.68 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3dfy h LYS 167 CO -0.99 0.47 -0.22 0.93 -0.57 0.00 0.00 179.45 179.07 3dfy h GLU 168 N 0.16 0.63 -0.37 3.15 5.08 -1.64 -1.92 114.58 119.67 3dfy h GLU 168 Ca 0.07 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3dfy h GLU 168 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3dfy h GLU 168 CO 0.00 0.80 0.16 -0.44 -1.00 0.00 0.00 179.01 178.53 3dfy h ASP 169 N 0.55 0.50 -0.33 1.42 3.32 -0.07 0.38 116.42 122.20 3dfy h ASP 169 Ca 0.08 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3dfy h ASP 169 Cb 0.68 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3dfy h ASP 169 CO 0.05 0.52 0.21 0.40 -1.72 0.00 0.00 179.24 178.70 3dfy h ILE 170 N 0.45 1.06 -0.39 0.35 2.04 -1.12 -1.05 117.51 118.85 3dfy h ILE 170 Ca 0.12 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3dfy h ILE 170 Cb 0.17 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3dfy h ILE 170 CO -0.01 0.08 0.19 -0.08 0.00 0.00 0.00 178.15 178.33 3dfy h GLU 171 N 0.42 0.56 -0.46 2.37 4.81 -1.04 -2.20 114.58 119.04 3dfy h GLU 171 Ca 0.13 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3dfy h GLU 171 Cb -0.02 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 3dfy h GLU 171 CO -0.04 0.49 0.17 0.00 -0.73 0.00 0.00 179.01 178.90 3dfy h ALA 172 N 1.04 0.55 -0.70 2.92 0.00 0.14 -1.05 119.26 122.16 3dfy h ALA 172 Ca 0.14 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3dfy h ALA 172 Cb 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3dfy h ALA 172 CO -0.02 -0.22 0.19 0.28 0.00 0.00 0.00 179.25 179.49 3dfy h VAL 173 N 0.35 1.26 -0.41 0.00 2.07 -1.04 0.03 116.25 118.50 3dfy h VAL 173 Ca 0.21 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 3dfy h VAL 173 Cb 0.20 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3dfy h VAL 173 CO -0.21 0.36 -0.10 -0.08 0.02 0.00 0.00 177.57 177.56 3dfy h GLU 174 N 1.05 0.73 -0.01 1.57 4.81 -0.86 -1.47 114.58 120.39 3dfy h GLU 174 Ca 0.22 -0.23 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 3dfy h GLU 174 Cb 0.33 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.66 3dfy h GLU 174 CO -0.00 0.81 -0.97 0.93 -0.73 0.00 0.00 179.01 179.05 3dfy h GLU 175 N 0.66 0.55 -0.38 1.92 4.39 -0.95 -2.77 114.58 118.00 3dfy h GLU 175 Ca 0.12 -0.58 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 3dfy h GLU 175 Cb 0.56 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 3dfy h GLU 175 CO 0.03 1.20 0.03 0.82 -1.16 0.00 0.00 179.01 179.93 3dfy h ILE 176 N 0.32 1.20 -0.41 3.13 2.04 -0.84 -2.71 117.51 120.24 3dfy h ILE 176 Ca -0.10 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 3dfy h ILE 176 Cb 1.61 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3dfy h ILE 176 CO 0.18 0.28 -0.01 0.00 0.00 0.00 0.00 178.15 178.60 3dfy h ALA 177 N 1.47 0.55 -0.87 1.87 0.00 -1.22 -2.90 119.26 118.15 3dfy h ALA 177 Ca 0.12 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 177 Cb 0.32 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3dfy h ALA 177 CO 0.01 0.33 0.56 0.87 0.00 0.00 0.00 179.25 181.03 3dfy h LYS 178 N 0.55 0.72 -0.53 0.00 1.57 -1.19 -2.32 116.57 115.38 3dfy h LYS 178 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3dfy h LYS 178 Cb 0.49 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3dfy h LYS 178 CO 0.02 0.48 0.00 1.33 -0.57 0.00 0.00 179.45 180.71 3dfy n VAL 179 N -4.55 2.46 -2.48 0.50 0.24 -1.16 -4.44 118.33 108.89 3dfy n VAL 179 Ca 0.16 -1.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 3dfy n VAL 179 Cb 0.41 -0.17 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.51 0.26 -1.65 3.34 -2.24 -0.88 -4.68 114.28 108.94 3dfy n THR 180 Ca 0.26 -1.20 -0.47 0.00 -2.27 0.00 0.00 64.05 60.37 3dfy n THR 180 Cb 1.06 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 70.22 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 0.00 1.88 0.00 -0.78 1.74 -1.18 -1.58 116.66 116.74 3dfy n ARG 181 Ca -0.03 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3dfy n ARG 181 Cb 0.97 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 2.98 2.31 3.91 -0.13 0.00 -1.26 -5.09 105.19 107.91 3dfy n GLY 182 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.37 3.67 0.13 4.61 0.00 -0.62 -4.97 121.76 122.22 3dfy s ALA 183 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3dfy s ALA 183 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3dfy s ALA 183 CO 0.00 0.30 0.26 0.15 0.00 0.00 0.00 175.76 176.48 3dfy s LYS 184 N -3.46 3.41 -0.04 0.00 1.02 0.15 -4.96 119.74 115.86 3dfy s LYS 184 Ca 0.43 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.89 3dfy s LYS 184 Cb -0.11 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3dfy s LYS 184 CO 0.29 0.53 -0.22 0.71 -0.92 0.00 0.00 175.35 175.74 3dfy s TYR 185 N -1.70 2.11 -0.16 3.18 2.02 -1.26 -0.93 117.35 120.62 3dfy s TYR 185 Ca 0.34 -0.55 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 3dfy s TYR 185 Cb -0.11 -1.38 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 3dfy s TYR 185 CO 0.28 -0.14 -0.20 0.42 -1.57 0.00 0.00 175.55 174.34 3dfy s ILE 186 N -0.24 2.01 -0.18 2.71 1.01 -0.71 -0.45 121.20 125.34 3dfy s ILE 186 Ca 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 3dfy s ILE 186 Cb -0.11 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3dfy s ILE 186 CO 0.02 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 3dfy s VAL 187 N 1.07 3.63 -0.27 2.92 1.01 -0.18 0.64 120.40 129.21 3dfy s VAL 187 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3dfy s VAL 187 Cb -0.14 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.67 3dfy s VAL 187 CO -0.07 0.46 -0.05 -0.62 0.00 0.00 0.00 175.10 174.82 3dfy s ASP 188 N 0.85 4.60 0.00 3.32 -1.08 -0.58 -0.02 116.67 123.76 3dfy s ASP 188 Ca -0.01 -1.19 0.27 0.00 -0.52 0.00 0.00 52.55 51.10 3dfy s ASP 188 Cb -0.15 -1.65 0.90 0.00 -1.46 0.00 0.00 42.92 40.56 3dfy s ASP 188 CO 0.01 -0.20 1.66 0.00 0.52 0.00 0.00 175.17 177.16 3dfy n ALA 189 N 4.59 2.70 -4.22 3.66 0.00 -1.05 -1.11 120.51 125.08 3dfy n ALA 189 Ca -0.14 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 3dfy n ALA 189 Cb 0.44 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.92 -1.07 0.00 4.13 -1.21 -1.06 115.26 115.20 3dfy n ASN 190 Ca 0.17 -1.28 -0.14 0.00 1.68 0.00 0.00 54.58 55.01 3dfy n ASN 190 Cb 0.37 -1.56 -0.06 0.00 -1.54 0.00 0.00 39.78 36.99 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 -4.73 -1.64 0.21 3.52 2.81 -0.05 -4.88 117.12 112.35 3dfy n MET 191 Ca -0.24 0.99 0.13 0.00 -1.81 0.00 0.00 57.70 56.76 3dfy n MET 191 Cb 0.64 -5.41 0.25 0.00 -0.71 0.00 0.00 33.22 27.99 3dfy n MET 191 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3dfy h GLY 192 N 0.00 0.00 -4.03 3.03 0.00 -1.13 -3.36 103.07 97.59 3dfy h GLY 192 Ca -0.28 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.50 3dfy h GLY 192 CO 0.42 0.00 -0.49 -0.19 0.00 0.00 0.00 176.54 176.28 3dfy s TYR 193 N -3.23 3.42 0.80 5.60 2.02 -0.70 -4.80 117.35 120.45 3dfy s TYR 193 Ca 0.07 0.09 -0.09 0.00 -0.37 0.00 0.00 57.07 56.77 3dfy s TYR 193 Cb 0.06 -1.64 0.11 0.00 -0.40 0.00 0.00 41.96 40.10 3dfy s TYR 193 CO 0.65 0.52 1.13 0.95 -1.57 0.00 0.00 175.55 177.22 3dfy s THR 194 N -1.74 2.13 0.21 -0.71 -4.23 -1.26 -4.18 115.64 105.86 3dfy s THR 194 Ca 0.34 -0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.56 3dfy s THR 194 Cb -0.11 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 70.95 3dfy s THR 194 CO 0.27 0.00 1.86 1.56 -0.54 0.00 0.00 174.62 177.77 3dfy h GLN 195 N -0.96 0.88 -0.49 3.99 4.20 -1.93 -0.24 115.11 120.56 3dfy h GLN 195 Ca -0.44 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.11 3dfy h GLN 195 Cb 1.29 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3dfy h GLN 195 CO 0.52 0.58 -0.12 0.87 -0.67 0.00 0.00 178.83 180.01 3dfy h LYS 196 N 0.91 0.94 -0.48 1.46 6.56 -1.99 -2.22 116.57 121.75 3dfy h LYS 196 Ca 0.29 -0.36 -0.12 0.00 -1.06 0.00 0.00 60.65 59.39 3dfy h LYS 196 Cb -0.00 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 3dfy h LYS 196 CO -0.10 1.03 -0.17 0.93 -2.06 0.00 0.00 179.45 179.08 3dfy h GLU 197 N 0.80 0.94 -0.76 3.15 5.08 -1.88 -1.02 114.58 120.89 3dfy h GLU 197 Ca 0.12 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3dfy h GLU 197 Cb 0.68 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3dfy h GLU 197 CO 0.05 1.03 0.41 0.00 -1.00 0.00 0.00 179.01 179.51 3dfy h ALA 198 N 0.97 0.97 -0.27 3.43 0.00 -0.90 0.34 119.26 123.79 3dfy h ALA 198 Ca 0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3dfy h ALA 198 Cb 0.72 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3dfy h ALA 198 CO 0.06 0.49 -0.22 0.28 0.00 0.00 0.00 179.25 179.85 3dfy h VAL 199 N 1.05 1.31 -0.86 0.00 2.07 -1.26 -2.89 116.25 115.67 3dfy h VAL 199 Ca 0.27 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 3dfy h VAL 199 Cb 0.04 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3dfy h VAL 199 CO -0.04 0.43 0.51 -0.08 0.02 0.00 0.00 177.57 178.42 3dfy h GLU 200 N 0.37 1.17 -0.14 1.57 4.57 -0.87 -1.04 114.58 120.20 3dfy h GLU 200 Ca 0.05 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3dfy h GLU 200 Cb 0.78 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 3dfy h GLU 200 CO 0.06 0.82 0.01 0.35 -1.18 0.00 0.00 179.01 179.07 3dfy h PHE 201 N 1.19 0.02 -0.70 0.92 3.57 -0.85 0.80 116.94 121.88 3dfy h PHE 201 Ca 0.31 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 3dfy h PHE 201 Cb -0.04 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3dfy h PHE 201 CO 0.01 -0.00 0.32 0.00 -2.23 0.00 0.00 178.31 176.40 3dfy h ALA 202 N 1.11 0.90 -0.33 2.41 0.00 -1.24 -2.01 119.26 120.11 3dfy h ALA 202 Ca 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3dfy h ALA 202 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dfy h ALA 202 CO -0.10 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.60 3dfy h ARG 203 N 0.98 0.60 0.10 0.00 3.08 -0.93 -1.15 114.38 117.07 3dfy h ARG 203 Ca 0.24 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3dfy h ARG 203 Cb 0.15 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3dfy h ARG 203 CO -0.03 0.75 -0.17 0.00 -1.07 0.00 0.00 179.97 179.46 3dfy h ALA 204 N 0.83 -0.28 -0.82 0.04 0.00 -0.70 0.36 119.26 118.69 3dfy h ALA 204 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dfy h ALA 204 Cb 0.50 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3dfy h ALA 204 CO 0.02 -0.69 0.43 0.28 0.00 0.00 0.00 179.25 179.29 3dfy h VAL 205 N -0.33 1.24 -0.69 0.00 2.07 -1.36 -2.43 116.25 114.77 3dfy h VAL 205 Ca 0.02 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3dfy h VAL 205 Cb 0.34 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3dfy h VAL 205 CO -0.09 0.28 0.23 0.22 0.02 0.00 0.00 177.57 178.24 3dfy h TYR 206 N 1.15 1.06 0.00 1.57 3.20 -0.78 -2.24 116.97 120.93 3dfy h TYR 206 Ca 0.29 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3dfy h TYR 206 Cb 0.06 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 3dfy h TYR 206 CO 0.01 0.83 -0.08 1.96 -1.64 0.00 0.00 178.16 179.24 3dfy h GLN 207 N 1.01 0.00 -0.68 1.82 1.08 -0.44 -1.30 115.11 116.60 3dfy h GLN 207 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3dfy h GLN 207 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3dfy h GLN 207 CO -0.01 0.08 0.00 1.63 -0.95 0.00 0.00 178.83 179.58 3dfy n LYS 208 N -3.66 2.65 -1.18 1.46 5.02 -0.87 -4.88 118.16 116.71 3dfy n LYS 208 Ca -0.02 -1.50 -0.06 0.00 -2.02 0.00 0.00 58.31 54.71 3dfy n LYS 208 Cb 0.19 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 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 0.52 0.65 3.85 0.72 0.00 -0.49 -4.97 105.19 105.48 3dfy n GLY 209 Ca 0.13 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.68 4.91 -0.07 -0.61 1.01 -1.04 -5.04 121.20 118.67 3dfy s ILE 210 Ca 0.00 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.39 3dfy s ILE 210 Cb 0.00 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3dfy s ILE 210 CO 0.00 0.20 -0.15 -0.62 0.00 0.00 0.00 174.94 174.37 3dfy s ASP 211 N -1.82 3.90 -0.25 3.58 2.15 -1.26 -4.17 116.67 118.80 3dfy s ASP 211 Ca 0.38 -0.26 -0.00 0.00 0.43 0.00 0.00 52.55 53.10 3dfy s ASP 211 Cb -0.14 -0.99 0.04 0.00 -0.30 0.00 0.00 42.92 41.53 3dfy s ASP 211 CO 0.19 0.30 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.79 3dfy s ILE 212 N -0.45 2.67 0.17 4.11 1.01 -1.26 -4.39 121.20 123.05 3dfy s ILE 212 Ca 0.05 -1.21 -0.13 0.00 0.00 0.00 0.00 60.65 59.37 3dfy s ILE 212 Cb -0.12 -2.41 0.07 0.00 0.01 0.00 0.00 42.46 40.01 3dfy s ILE 212 CO 0.02 0.13 1.75 0.00 0.00 0.00 0.00 174.94 176.83 3dfy h ALA 213 N 7.95 0.73 -3.27 9.38 0.00 -1.15 -3.39 119.26 129.52 3dfy h ALA 213 Ca -0.29 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.16 3dfy h ALA 213 Cb 1.09 -0.22 -0.37 0.00 0.00 0.00 0.00 17.79 18.29 3dfy h ALA 213 CO 0.55 0.31 -0.69 0.08 0.00 0.00 0.00 179.25 179.50 3dfy s VAL 214 N -5.67 -0.14 -0.65 0.00 1.01 -1.20 -4.32 120.40 109.43 3dfy s VAL 214 Ca -0.13 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 3dfy s VAL 214 Cb 0.12 -0.19 0.17 0.00 0.00 0.00 0.00 36.38 36.48 3dfy s VAL 214 CO 0.78 0.15 0.57 -0.47 0.00 0.00 0.00 175.10 176.13 3dfy s TYR 215 N 1.95 3.51 0.06 5.22 5.04 0.33 -1.01 117.35 132.45 3dfy s TYR 215 Ca 0.01 -1.84 -0.30 0.00 -2.44 0.00 0.00 57.07 52.50 3dfy s TYR 215 Cb -0.12 -3.69 -0.05 0.00 0.35 0.00 0.00 41.96 38.45 3dfy s TYR 215 CO -0.04 -0.98 1.02 -2.00 -1.34 0.00 0.00 175.55 172.20 3dfy s GLU 216 N 0.79 4.59 0.00 4.97 2.12 0.97 -1.33 118.70 130.81 3dfy s GLU 216 Ca 0.11 1.51 0.00 0.00 0.36 0.00 0.00 54.97 56.95 3dfy s GLU 216 Cb -0.20 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.79 3dfy s GLU 216 CO -0.03 0.02 0.00 0.94 -0.54 0.00 0.00 175.26 175.65 3dfy n GLN 217 N 3.38 0.00 0.19 4.30 -0.06 0.83 -2.54 117.38 123.49 3dfy n GLN 217 Ca 0.05 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.10 3dfy n GLN 217 Cb 0.49 0.00 0.37 0.00 -4.06 0.00 0.00 30.24 27.04 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 0.76 0.00 -5.69 3.69 0.13 -1.83 -0.10 132.00 128.96 3dfy h PRO 218 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 3dfy h PRO 218 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 3dfy h PRO 218 CO 0.00 0.37 -0.46 0.14 -0.23 0.00 0.00 178.00 177.82 3dfy s VAL 219 N -3.75 1.77 0.56 1.56 -7.23 -1.26 -1.72 120.40 110.33 3dfy s VAL 219 Ca -0.01 -1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 58.21 3dfy s VAL 219 Cb 0.12 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 3dfy s VAL 219 CO 0.69 0.00 1.14 0.54 -0.31 0.00 0.00 175.10 177.15 3dfy n ARG 220 N -1.37 1.26 0.13 4.82 1.74 -1.26 -4.10 116.66 117.89 3dfy n ARG 220 Ca -0.07 0.47 0.14 0.00 -0.77 0.00 0.00 57.85 57.63 3dfy n ARG 220 Cb 0.65 -2.32 0.67 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.98 0.00 0.00 5.56 0.11 -1.93 -1.76 114.38 117.34 3dfy h ARG 221 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3dfy h ARG 221 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 3dfy h ARG 221 CO 0.54 0.00 -0.33 0.39 0.10 0.00 0.00 179.97 180.67 3dfy n GLU 222 N -4.45 0.17 -2.51 0.08 -0.58 -1.26 -4.51 120.64 107.58 3dfy n GLU 222 Ca 0.03 0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 3dfy n GLU 222 Cb 0.34 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.91 5.00 0.01 1.62 2.03 -0.66 -4.73 116.55 117.92 3dfy n ASP 223 Ca 0.05 -3.02 -0.07 0.00 0.52 0.00 0.00 54.79 52.26 3dfy n ASP 223 Cb 0.40 -1.55 0.10 0.00 -0.72 0.00 0.00 41.12 39.35 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 4.23 1.31 -0.60 5.18 1.08 -1.82 -2.19 117.51 124.70 3dfy h ILE 224 Ca 0.39 -1.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.17 3dfy h ILE 224 Cb 0.73 1.67 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 3dfy h ILE 224 CO 1.51 0.52 0.27 -0.33 -0.69 0.00 0.00 178.15 179.42 3dfy h GLU 225 N 0.40 0.85 -0.50 2.37 5.08 -1.98 -1.82 114.58 118.99 3dfy h GLU 225 Ca 0.02 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 3dfy h GLU 225 Cb 0.97 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3dfy h GLU 225 CO 0.09 0.68 0.02 0.78 -1.00 0.00 0.00 179.01 179.57 3dfy h GLY 226 N 0.95 0.93 0.84 -3.84 0.00 -1.82 0.77 103.07 100.91 3dfy h GLY 226 Ca 0.21 -0.67 0.03 0.00 0.00 0.00 0.00 47.33 46.89 3dfy h GLY 226 CO -0.02 0.62 0.32 1.41 0.00 0.00 0.00 176.54 178.87 3dfy h LEU 227 N 0.73 0.51 -0.49 3.11 3.38 -0.99 0.15 115.31 121.71 3dfy h LEU 227 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3dfy h LEU 227 Cb 0.49 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3dfy h LEU 227 CO 0.02 0.36 0.22 0.50 0.09 0.00 0.00 178.44 179.63 3dfy h LYS 228 N 0.63 0.72 -0.14 1.13 3.64 -1.02 0.20 116.57 121.72 3dfy h LYS 228 Ca 0.22 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3dfy h LYS 228 Cb 0.05 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3dfy h LYS 228 CO -0.11 0.62 0.06 0.35 -2.27 0.00 0.00 179.45 178.10 3dfy h PHE 229 N 0.65 0.12 -0.79 1.91 3.57 -0.13 -0.31 116.94 121.95 3dfy h PHE 229 Ca 0.17 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3dfy h PHE 229 Cb 0.15 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3dfy h PHE 229 CO -0.00 0.07 0.31 0.28 -2.23 0.00 0.00 178.31 176.73 3dfy h VAL 230 N 0.14 1.26 -0.88 1.41 2.07 -0.47 -2.42 116.25 117.36 3dfy h VAL 230 Ca 0.06 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3dfy h VAL 230 Cb 0.02 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 3dfy h VAL 230 CO -0.05 0.34 0.58 -0.09 0.02 0.00 0.00 177.57 178.38 3dfy h ARG 231 N 1.16 1.11 -0.39 1.57 2.43 -0.17 0.32 114.38 120.42 3dfy h ARG 231 Ca 0.26 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3dfy h ARG 231 Cb 0.23 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3dfy h ARG 231 CO -0.02 0.74 0.00 0.35 -1.51 0.00 0.00 179.97 179.53 3dfy h PHE 232 N 1.15 0.75 0.00 2.20 3.57 -0.59 -3.30 116.94 120.72 3dfy h PHE 232 Ca 0.34 -0.13 -0.15 0.00 3.53 0.00 0.00 57.97 61.56 3dfy h PHE 232 Cb -0.06 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3dfy h PHE 232 CO -0.00 0.77 -1.27 0.45 -2.23 0.00 0.00 178.31 176.03 3dfy h HIS 233 N 0.51 0.00 -3.10 0.41 3.86 -1.26 -3.47 115.15 112.11 3dfy h HIS 233 Ca 0.11 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.79 3dfy h HIS 233 Cb 0.47 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.94 3dfy h HIS 233 CO 0.04 0.55 0.65 0.45 0.86 0.00 0.00 177.93 180.47 3dfy s SER 234 N -5.86 6.98 0.00 2.45 0.15 0.11 -4.89 113.70 112.63 3dfy s SER 234 Ca -0.02 2.11 0.28 0.00 0.70 0.00 0.00 55.95 59.02 3dfy s SER 234 Cb 0.09 -2.58 1.24 0.00 -1.71 0.00 0.00 66.02 63.06 3dfy s SER 234 CO 0.80 -0.56 1.91 -0.81 1.20 0.00 0.00 173.24 175.78 3dfy n PRO 235 N 4.16 0.09 -4.07 5.44 -0.04 -1.26 -4.75 135.00 134.57 3dfy n PRO 235 Ca 0.10 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 3dfy n PRO 235 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 3dfy n PRO 235 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dfy s PHE 236 N -2.91 3.25 0.27 0.54 0.08 -1.26 -5.04 117.98 112.91 3dfy s PHE 236 Ca 0.16 0.14 -0.30 0.00 0.12 0.00 0.00 56.93 57.05 3dfy s PHE 236 Cb 0.18 -1.68 -0.11 0.00 -0.57 0.00 0.00 43.02 40.84 3dfy s PHE 236 CO 0.49 0.54 1.62 -2.14 -0.10 0.00 0.00 175.22 175.63 3dfy s PRO 237 N -2.11 4.13 -0.16 0.24 0.02 -1.26 -4.81 135.00 131.04 3dfy s PRO 237 Ca 0.27 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 63.79 3dfy s PRO 237 Cb -0.12 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3dfy s PRO 237 CO 0.19 -0.65 0.10 0.08 -0.33 0.00 0.00 177.00 176.38 3dfy s VAL 238 N 0.28 5.11 0.04 3.83 1.01 -1.26 -0.51 120.40 128.89 3dfy s VAL 238 Ca 0.66 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.78 3dfy s VAL 238 Cb -0.48 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3dfy s VAL 238 CO 0.44 0.50 -0.19 0.00 0.00 0.00 0.00 175.10 175.85 3dfy s ALA 239 N -0.07 2.56 -0.10 5.51 0.00 -0.44 -0.90 121.76 128.31 3dfy s ALA 239 Ca 0.08 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 3dfy s ALA 239 Cb -0.12 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 3dfy s ALA 239 CO 0.00 0.57 0.26 0.00 0.00 0.00 0.00 175.76 176.59 3dfy s ALA 240 N -0.90 3.73 0.00 0.00 0.00 -0.13 -0.12 121.76 124.35 3dfy s ALA 240 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3dfy s ALA 240 Cb -0.10 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3dfy s ALA 240 CO 0.05 0.41 0.00 -3.47 0.00 0.00 0.00 175.76 172.74 3dfy n ASP 241 N 2.45 0.00 0.07 0.00 -0.08 -1.26 -0.08 116.55 117.66 3dfy n ASP 241 Ca -0.16 0.00 0.20 0.00 -1.51 0.00 0.00 54.79 53.32 3dfy n ASP 241 Cb 0.53 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.73 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 -1.93 0.29 114.58 115.34 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 -0.01 0.43 -1.40 0.00 0.00 179.01 178.03 3dfy n SER 243 N -4.04 0.05 -3.79 1.42 7.64 -1.26 -4.44 113.62 109.20 3dfy n SER 243 Ca 0.07 -0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.45 3dfy n SER 243 Cb 0.55 -0.25 -0.13 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.55 2.81 -0.24 -0.43 0.00 0.10 -4.75 121.76 116.72 3dfy s ALA 244 Ca 0.29 -3.09 -0.01 0.00 0.00 0.00 0.00 51.96 49.15 3dfy s ALA 244 Cb 0.20 -2.00 -0.14 0.00 0.00 0.00 0.00 23.12 21.18 3dfy s ALA 244 CO 0.46 -2.05 -0.22 0.54 0.00 0.00 0.00 175.76 174.48 3dfy n ARG 245 N 2.92 0.57 -4.31 0.00 1.74 -1.26 -4.85 116.66 111.47 3dfy n ARG 245 Ca 0.13 0.15 -0.26 0.00 -0.77 0.00 0.00 57.85 57.11 3dfy n ARG 245 Cb 0.36 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.46 2.31 0.44 0.55 -4.23 -1.26 -3.14 115.64 107.84 3dfy s THR 246 Ca -0.32 -1.85 0.22 0.00 -1.18 0.00 0.00 61.69 58.57 3dfy s THR 246 Cb 0.09 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.23 3dfy s THR 246 CO 0.52 -0.05 2.05 0.07 -0.54 0.00 0.00 174.62 176.67 3dfy h LYS 247 N 1.61 0.00 -0.19 3.99 2.10 -1.94 -1.56 116.57 120.58 3dfy h LYS 247 Ca -0.43 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.04 3dfy h LYS 247 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3dfy h LYS 247 CO 0.72 0.14 -0.59 0.74 -2.00 0.00 0.00 179.45 178.47 3dfy h PHE 248 N 0.00 0.80 -0.66 0.07 0.04 -1.96 -1.68 116.94 113.54 3dfy h PHE 248 Ca -0.00 -0.30 -0.02 0.00 2.80 0.00 0.00 57.97 60.45 3dfy h PHE 248 Cb 0.32 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3dfy h PHE 248 CO 0.00 1.06 0.35 -0.44 -0.60 0.00 0.00 178.31 178.68 3dfy h ASP 249 N 0.48 0.84 -0.32 2.17 3.32 -1.63 -2.34 116.42 118.94 3dfy h ASP 249 Ca 0.00 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 3dfy h ASP 249 Cb 1.16 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3dfy h ASP 249 CO 0.11 0.71 -0.26 0.58 -1.72 0.00 0.00 179.24 178.66 3dfy h VAL 250 N 0.91 1.27 -0.13 -1.35 2.07 -1.34 -0.84 116.25 116.85 3dfy h VAL 250 Ca 0.23 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 3dfy h VAL 250 Cb 0.06 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3dfy h VAL 250 CO -0.03 0.47 -0.12 -0.03 0.02 0.00 0.00 177.57 177.88 3dfy h MET 251 N 0.71 0.20 -0.10 1.57 1.85 -1.08 -0.19 114.93 117.89 3dfy h MET 251 Ca 0.09 -0.04 -0.14 0.00 -0.61 0.00 0.00 59.70 59.00 3dfy h MET 251 Cb 0.80 -0.03 0.01 0.00 0.43 0.00 0.00 31.60 32.80 3dfy h MET 251 CO 0.07 0.33 -0.48 -0.09 -0.40 0.00 0.00 176.91 176.33 3dfy h ARG 252 N 0.19 0.50 -0.98 0.39 2.43 -1.03 -1.23 114.38 114.66 3dfy h ARG 252 Ca 0.04 -0.41 0.03 0.00 -0.81 0.00 0.00 59.98 58.84 3dfy h ARG 252 Cb 0.33 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 3dfy h ARG 252 CO 0.02 1.04 0.64 -0.07 -1.51 0.00 0.00 179.97 180.09 3dfy h LEU 253 N 0.09 1.07 -0.11 3.80 3.38 -0.60 0.38 115.31 123.32 3dfy h LEU 253 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3dfy h LEU 253 Cb 1.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3dfy h LEU 253 CO 0.10 0.74 -0.02 0.58 0.09 0.00 0.00 178.44 179.92 3dfy h VAL 254 N 1.24 1.29 -0.58 1.22 2.07 -1.02 0.00 116.25 120.47 3dfy h VAL 254 Ca 0.39 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3dfy h VAL 254 Cb -0.01 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3dfy h VAL 254 CO -0.12 0.27 0.38 0.11 0.02 0.00 0.00 177.57 178.23 3dfy h LYS 255 N -0.11 0.64 -0.01 1.57 1.57 -0.76 -0.51 116.57 118.96 3dfy h LYS 255 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dfy h LYS 255 Cb 0.43 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3dfy h LYS 255 CO 0.01 0.42 -0.15 0.39 -0.57 0.00 0.00 179.45 179.55 3dfy n GLU 256 N -4.47 0.96 -3.85 3.15 -0.58 0.08 -4.93 120.64 111.01 3dfy n GLU 256 Ca 0.07 -0.49 -0.24 0.00 -0.42 0.00 0.00 57.16 56.08 3dfy n GLU 256 Cb 0.15 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 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 -0.59 -4.04 0.03 3.49 1.02 -0.20 -4.90 120.64 115.45 3dfy n GLU 257 Ca 0.15 0.50 -0.05 0.00 -0.02 0.00 0.00 57.16 57.73 3dfy n GLU 257 Cb 0.32 -4.84 -0.10 0.00 -0.02 0.00 0.00 31.44 26.79 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 0.85 0.61 -2.45 0.62 0.00 -1.33 -3.46 119.26 114.10 3dfy h ALA 258 Ca -0.62 -1.06 -0.17 0.00 0.00 0.00 0.00 54.91 53.06 3dfy h ALA 258 Cb 1.37 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 19.19 3dfy h ALA 258 CO 0.60 1.25 -0.59 0.14 0.00 0.00 0.00 179.25 180.65 3dfy s VAL 259 N -2.73 0.10 -0.08 0.00 -7.23 -1.26 -3.11 120.40 106.09 3dfy s VAL 259 Ca -0.02 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.42 3dfy s VAL 259 Cb 0.09 -1.97 -0.24 0.00 0.56 0.00 0.00 36.38 34.82 3dfy s VAL 259 CO 0.81 -0.47 0.52 0.47 -0.31 0.00 0.00 175.10 176.12 3dfy n ASP 260 N -0.10 1.16 -4.24 4.85 8.00 -0.08 -4.95 116.55 121.19 3dfy n ASP 260 Ca -0.06 0.32 -0.16 0.00 0.71 0.00 0.00 54.79 55.59 3dfy n ASP 260 Cb 0.63 -0.20 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.58 1.33 -0.05 1.24 1.51 -0.11 -1.24 117.35 117.45 3dfy s TYR 261 Ca -0.10 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.34 3dfy s TYR 261 Cb 0.07 -0.68 0.01 0.00 -0.11 0.00 0.00 41.96 41.25 3dfy s TYR 261 CO 0.81 0.12 -0.13 0.08 -1.11 0.00 0.00 175.55 175.31 3dfy s VAL 262 N -2.70 1.16 -0.48 0.71 1.01 -0.97 -0.96 120.40 118.17 3dfy s VAL 262 Ca 0.13 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 3dfy s VAL 262 Cb -0.01 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.42 3dfy s VAL 262 CO 0.02 0.35 0.42 0.21 0.00 0.00 0.00 175.10 176.10 3dfy s ASN 263 N 0.34 6.16 0.13 3.32 2.47 0.89 -2.35 114.94 125.89 3dfy s ASN 263 Ca -0.08 -1.40 -0.29 0.00 0.42 0.00 0.00 52.86 51.51 3dfy s ASN 263 Cb -0.13 -2.19 -0.06 0.00 -1.45 0.00 0.00 41.25 37.42 3dfy s ASN 263 CO 0.02 -0.68 0.93 -0.63 -3.72 0.00 0.00 177.10 173.02 3dfy s ILE 264 N 1.65 4.43 -0.07 -5.21 1.01 -0.04 -4.69 121.20 118.28 3dfy s ILE 264 Ca 0.04 2.01 -0.00 0.00 0.00 0.00 0.00 60.65 62.70 3dfy s ILE 264 Cb -0.25 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 37.95 3dfy s ILE 264 CO 0.06 0.37 -0.03 -0.54 0.00 0.00 0.00 174.94 174.80 3dfy s LYS 265 N -0.30 0.87 0.48 2.79 1.02 -1.26 -0.68 119.74 122.67 3dfy s LYS 265 Ca 0.44 -0.05 0.15 0.00 0.02 0.00 0.00 55.97 56.53 3dfy s LYS 265 Cb -0.24 -1.02 1.16 0.00 -0.52 0.00 0.00 37.83 37.21 3dfy s LYS 265 CO 0.29 -0.19 2.08 -0.07 -0.92 0.00 0.00 175.35 176.54 3dfy h LEU 266 N 7.79 0.16 -1.91 3.17 3.38 -1.86 0.21 115.31 126.25 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 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3dfy h LEU 266 CO 0.38 0.11 0.00 0.24 0.09 0.00 0.00 178.44 179.26 3dfy h MET 267 N 0.19 0.00 0.03 1.13 2.86 -1.91 0.25 114.93 117.47 3dfy h MET 267 Ca 0.11 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.37 3dfy h MET 267 Cb 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3dfy h MET 267 CO -0.02 0.00 -2.18 1.63 1.06 0.00 0.00 176.91 177.40 3dfy n LYS 268 N -2.89 0.64 -0.03 1.72 5.02 -0.01 -2.94 118.16 119.67 3dfy n LYS 268 Ca -0.01 0.29 0.05 0.00 -2.02 0.00 0.00 58.31 56.62 3dfy n LYS 268 Cb 0.18 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.44 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 -3.83 0.06 -0.02 4.39 7.64 -0.76 -4.72 113.62 116.39 3dfy n SER 269 Ca -0.43 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.47 3dfy n SER 269 Cb 0.91 1.62 -0.00 0.00 -1.01 0.00 0.00 64.21 65.73 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 1.39 -2.26 0.14 0.23 0.00 0.88 -3.31 105.19 102.26 3dfy n GLY 270 Ca -0.12 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 3dfy n GLY 270 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dfy h ILE 271 N -0.02 1.41 0.12 -0.61 1.08 -1.83 -2.78 117.51 114.89 3dfy h ILE 271 Ca 0.00 -1.80 0.02 0.00 -0.39 0.00 0.00 64.86 62.69 3dfy h ILE 271 Cb 0.02 2.34 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 3dfy h ILE 271 CO 0.00 0.52 -0.28 0.77 -0.69 0.00 0.00 178.15 178.48 3dfy h SER 272 N -0.09 -0.79 0.01 1.72 4.64 -1.95 -0.63 113.55 116.47 3dfy h SER 272 Ca -0.03 0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3dfy h SER 272 Cb 1.06 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3dfy h SER 272 CO 0.08 -0.37 -0.31 0.44 -0.87 0.00 0.00 176.83 175.81 3dfy h ASP 273 N -0.49 0.45 -0.80 4.97 5.19 -1.68 -2.47 116.42 121.59 3dfy h ASP 273 Ca 0.03 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.27 3dfy h ASP 273 Cb 0.52 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 3dfy h ASP 273 CO -0.16 0.74 0.46 0.00 -3.12 0.00 0.00 179.24 177.16 3dfy h ALA 274 N 1.30 1.02 -0.50 3.45 0.00 -1.18 0.11 119.26 123.46 3dfy h ALA 274 Ca 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3dfy h ALA 274 Cb 0.73 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3dfy h ALA 274 CO 0.06 0.51 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 3dfy h LEU 275 N 1.10 0.84 -0.37 0.00 3.38 -0.89 -1.85 115.31 117.53 3dfy h LEU 275 Ca 0.28 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3dfy h LEU 275 Cb -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dfy h LEU 275 CO -0.05 0.92 -0.04 0.00 0.09 0.00 0.00 178.44 179.36 3dfy h ALA 276 N 1.17 0.51 -0.75 1.53 0.00 -0.94 -2.82 119.26 117.95 3dfy h ALA 276 Ca 0.15 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dfy h ALA 276 Cb 0.51 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3dfy h ALA 276 CO 0.03 0.32 0.50 0.82 0.00 0.00 0.00 179.25 180.91 3dfy h ILE 277 N 0.49 1.20 -0.52 0.00 2.04 -0.60 -0.42 117.51 119.69 3dfy h ILE 277 Ca 0.10 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3dfy h ILE 277 Cb 0.53 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3dfy h ILE 277 CO 0.03 0.19 0.27 0.58 0.00 0.00 0.00 178.15 179.21 3dfy h VAL 278 N 1.02 0.97 -0.44 1.67 2.07 -1.24 0.34 116.25 120.63 3dfy h VAL 278 Ca 0.27 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 3dfy h VAL 278 Cb -0.11 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3dfy h VAL 278 CO -0.06 0.10 -0.21 -0.33 0.02 0.00 0.00 177.57 177.08 3dfy h GLU 279 N 0.52 0.90 -0.36 1.57 4.39 -1.16 -1.96 114.58 118.47 3dfy h GLU 279 Ca 0.23 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 3dfy h GLU 279 Cb 0.13 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3dfy h GLU 279 CO -0.15 1.02 0.15 0.82 -1.16 0.00 0.00 179.01 179.69 3dfy h ILE 280 N 0.78 1.19 0.35 3.13 2.04 -0.66 -2.13 117.51 122.21 3dfy h ILE 280 Ca 0.10 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3dfy h ILE 280 Cb 0.76 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3dfy h ILE 280 CO 0.06 0.20 -0.23 0.00 0.00 0.00 0.00 178.15 178.19 3dfy h ALA 281 N 0.99 -0.55 0.00 1.87 0.00 -0.79 -2.03 119.26 118.76 3dfy h ALA 281 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dfy h ALA 281 Cb 0.18 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dfy h ALA 281 CO -0.01 -0.82 0.00 0.39 0.00 0.00 0.00 179.25 178.81 3dfy n GLU 282 N -5.35 0.12 -0.02 0.00 1.02 -0.75 -1.02 120.64 114.65 3dfy n GLU 282 Ca -0.10 0.46 0.12 0.00 -0.02 0.00 0.00 57.16 57.62 3dfy n GLU 282 Cb 0.26 -1.78 0.15 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.02 2.87 -0.38 1.62 7.64 -0.80 -4.49 113.62 118.06 3dfy n SER 283 Ca 0.01 -1.95 0.01 0.00 1.01 0.00 0.00 58.87 57.95 3dfy n SER 283 Cb 0.14 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.23 0.19 -0.31 6.43 3.41 -0.18 -5.01 113.62 119.37 3dfy n SER 284 Ca 0.15 -1.90 -0.04 0.00 -0.26 0.00 0.00 58.87 56.82 3dfy n SER 284 Cb 0.57 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.10 0.65 3.78 5.00 0.00 -0.94 -5.00 105.19 108.58 3dfy n GLY 285 Ca 0.01 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.93 4.48 0.41 0.99 2.96 -0.88 -5.02 118.68 120.71 3dfy s LEU 286 Ca 0.00 1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 3dfy s LEU 286 Cb 0.00 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 3dfy s LEU 286 CO 0.00 0.17 0.65 -0.54 -1.32 0.00 0.00 176.35 175.31 3dfy s LYS 287 N -0.63 3.38 0.07 1.98 -0.14 -0.37 -4.38 119.74 119.65 3dfy s LYS 287 Ca 0.32 -0.22 0.03 0.00 -1.36 0.00 0.00 55.97 54.74 3dfy s LYS 287 Cb -0.20 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 3dfy s LYS 287 CO 0.20 -0.07 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.12 3dfy s LEU 288 N -4.51 2.33 0.05 3.17 1.43 -1.26 -2.30 118.68 117.59 3dfy s LEU 288 Ca 0.44 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3dfy s LEU 288 Cb -0.10 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 3dfy s LEU 288 CO 0.39 -0.23 -0.03 0.00 0.23 0.00 0.00 176.35 176.71 3dfy s MET 289 N -2.20 0.57 -0.04 1.70 0.23 -0.99 -0.93 119.30 117.65 3dfy s MET 289 Ca -0.02 -1.13 0.05 0.00 -1.03 0.00 0.00 55.69 53.55 3dfy s MET 289 Cb -0.06 0.20 -0.01 0.00 -1.53 0.00 0.00 34.83 33.43 3dfy s MET 289 CO -0.00 -0.10 -0.19 -1.50 -2.03 0.00 0.00 175.02 171.20 3dfy s ILE 290 N -3.58 1.52 0.00 3.16 2.07 -0.99 -0.87 121.20 122.52 3dfy s ILE 290 Ca 0.04 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 3dfy s ILE 290 Cb 0.05 -1.30 0.00 0.00 0.13 0.00 0.00 42.46 41.35 3dfy s ILE 290 CO -0.09 0.43 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 3dfy n GLY 291 N 2.98 6.63 3.79 1.50 0.00 0.14 -0.28 105.19 119.96 3dfy n GLY 291 Ca -0.17 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.49 0.00 -1.97 0.00 2.81 -1.26 -4.99 117.12 111.22 3dfy n MET 293 Ca -0.05 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.75 3dfy n MET 293 Cb 0.60 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.17 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 4.54 4.17 3.75 3.03 0.00 -1.26 -4.81 105.19 114.61 3dfy n GLY 294 Ca 0.00 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.18 3.23 0.00 1.61 8.01 -1.26 -4.91 118.70 122.21 3dfy s GLU 295 Ca 0.40 2.17 0.00 0.00 0.01 0.00 0.00 54.97 57.55 3dfy s GLU 295 Cb 0.37 -2.28 0.00 0.00 -4.31 0.00 0.00 34.13 27.91 3dfy s GLU 295 CO -0.03 -1.10 0.00 -1.13 0.01 0.00 0.00 175.26 173.02 3dfy n SER 296 N -0.94 0.00 -0.23 -0.19 3.41 -1.26 -2.80 113.62 111.61 3dfy n SER 296 Ca 0.10 -0.36 -0.08 0.00 -0.26 0.00 0.00 58.87 58.27 3dfy n SER 296 Cb 0.45 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 0.98 -0.57 4.04 4.64 -1.92 -0.69 113.55 120.04 3dfy h SER 297 Ca 0.00 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 3dfy h SER 297 Cb 0.00 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 3dfy h SER 297 CO 0.00 0.97 0.30 0.25 -0.87 0.00 0.00 176.83 177.48 3dfy h LEU 298 N 0.96 0.73 -0.35 5.97 6.46 -1.94 -2.00 115.31 125.14 3dfy h LEU 298 Ca 0.20 -0.11 -0.12 0.00 -0.12 0.00 0.00 57.88 57.73 3dfy h LEU 298 Cb 0.38 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 3dfy h LEU 298 CO 0.00 0.63 -0.26 1.23 -0.62 0.00 0.00 178.44 179.42 3dfy h GLY 299 N 0.77 0.86 2.00 3.75 0.00 -1.83 -2.95 103.07 105.67 3dfy h GLY 299 Ca 0.20 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3dfy h GLY 299 CO -0.03 0.76 -0.18 1.19 0.00 0.00 0.00 176.54 178.28 3dfy h ILE 300 N 0.57 0.61 -0.98 2.60 6.09 -1.04 -1.69 117.51 123.67 3dfy h ILE 300 Ca 0.06 -0.79 0.12 0.00 -1.37 0.00 0.00 64.86 62.88 3dfy h ILE 300 Cb 0.83 1.51 -0.08 0.00 0.47 0.00 0.00 36.82 39.55 3dfy h ILE 300 CO 0.07 0.17 0.62 -1.13 -3.07 0.00 0.00 178.15 174.81 3dfy h ASN 301 N 0.00 0.89 -0.56 2.19 -1.24 -1.18 -0.38 115.58 115.31 3dfy h ASN 301 Ca -0.00 0.04 0.08 0.00 0.71 0.00 0.00 56.30 57.13 3dfy h ASN 301 Cb 0.50 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.35 3dfy h ASN 301 CO 0.02 0.48 0.22 1.56 -1.29 0.00 0.00 177.43 178.42 3dfy h GLN 302 N 0.96 0.40 0.00 6.67 4.20 -1.37 -1.73 115.11 124.23 3dfy h GLN 302 Ca 0.48 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.99 3dfy h GLN 302 Cb 0.50 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3dfy h GLN 302 CO -0.25 0.26 -0.82 0.77 -0.67 0.00 0.00 178.83 178.13 3dfy h SER 303 N 0.41 0.05 0.12 1.46 0.02 -1.30 -2.71 113.55 111.60 3dfy h SER 303 Ca 0.27 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3dfy h SER 303 Cb 0.30 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3dfy h SER 303 CO -0.26 0.84 -0.06 0.58 -1.14 0.00 0.00 176.83 176.80 3dfy h VAL 304 N 0.02 0.96 -0.94 2.27 2.07 -0.56 0.12 116.25 120.19 3dfy h VAL 304 Ca -0.02 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3dfy h VAL 304 Cb 1.44 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 3dfy h VAL 304 CO 0.11 0.07 0.57 0.45 0.02 0.00 0.00 177.57 178.79 3dfy h HIS 305 N -0.29 1.23 -0.25 1.57 -0.00 -1.40 0.90 115.15 116.91 3dfy h HIS 305 Ca -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3dfy h HIS 305 Cb 0.24 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3dfy h HIS 305 CO -0.03 0.81 0.13 0.35 -0.00 0.00 0.00 177.93 179.20 3dfy h PHE 306 N 1.29 0.34 -0.53 2.45 3.57 -1.21 -0.52 116.94 122.33 3dfy h PHE 306 Ca 0.34 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.72 3dfy h PHE 306 Cb -0.06 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3dfy h PHE 306 CO 0.00 0.30 -0.10 0.00 -2.23 0.00 0.00 178.31 176.29 3dfy h ALA 307 N 1.01 0.82 -0.05 2.41 0.00 -0.36 -2.13 119.26 120.96 3dfy h ALA 307 Ca 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3dfy h ALA 307 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dfy h ALA 307 CO -0.01 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.81 3dfy h LEU 308 N 0.88 0.10 -0.13 0.00 3.38 -0.69 0.15 115.31 119.01 3dfy h LEU 308 Ca 0.14 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3dfy h LEU 308 Cb 0.65 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3dfy h LEU 308 CO 0.05 0.46 0.02 1.23 0.09 0.00 0.00 178.44 180.28 3dfy h GLY 309 N -0.25 0.24 1.92 0.83 0.00 -1.10 0.60 103.07 105.29 3dfy h GLY 309 Ca 0.01 -0.16 -0.22 0.00 0.00 0.00 0.00 47.33 46.96 3dfy h GLY 309 CO 0.01 0.15 -1.01 -0.91 0.00 0.00 0.00 176.54 174.77 3dfy h THR 310 N -0.02 1.65 -3.71 4.70 1.35 -1.50 0.54 112.91 115.93 3dfy h THR 310 Ca 0.04 -3.23 -0.30 0.00 -0.55 0.00 0.00 66.41 62.37 3dfy h THR 310 Cb 0.31 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 3dfy h THR 310 CO 0.00 0.93 -0.39 0.61 -0.25 0.00 0.00 175.52 176.42 3dfy n GLY 311 N 1.29 -0.50 0.02 5.82 0.00 0.52 -4.77 105.19 107.56 3dfy n GLY 311 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.26 3.00 -2.73 4.61 0.00 -1.26 -4.93 120.51 116.95 3dfy n ALA 312 Ca -0.17 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.67 3dfy n ALA 312 Cb 0.63 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 3dfy n ALA 312 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dfy s PHE 313 N -3.03 3.57 0.12 0.00 0.08 -1.26 -4.47 117.98 112.98 3dfy s PHE 313 Ca 0.11 0.64 -0.01 0.00 0.12 0.00 0.00 56.93 57.78 3dfy s PHE 313 Cb 0.17 -2.17 -0.15 0.00 -0.57 0.00 0.00 43.02 40.30 3dfy s PHE 313 CO 0.65 0.52 1.26 0.93 -0.10 0.00 0.00 175.22 178.47 3dfy h GLU 314 N 5.61 0.25 -4.57 0.44 4.39 -1.39 -3.46 114.58 115.85 3dfy h GLU 314 Ca -0.48 -0.34 -0.27 0.00 0.34 0.00 0.00 59.36 58.60 3dfy h GLU 314 Cb 1.20 0.11 -0.21 0.00 -0.10 0.00 0.00 28.75 29.75 3dfy h GLU 314 CO 0.66 1.09 -0.73 -0.06 -1.16 0.00 0.00 179.01 178.81 3dfy s PHE 315 N -2.95 0.67 -0.10 4.33 0.08 -1.25 -5.07 117.98 113.70 3dfy s PHE 315 Ca -0.03 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.52 3dfy s PHE 315 Cb 0.09 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.15 3dfy s PHE 315 CO 0.86 -0.09 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.76 3dfy s HIS 316 N -1.42 1.70 -0.71 0.36 3.76 -1.25 -2.34 115.29 115.39 3dfy s HIS 316 Ca -0.10 -0.79 0.04 0.00 -0.15 0.00 0.00 55.06 54.07 3dfy s HIS 316 Cb -0.10 -1.28 0.25 0.00 1.11 0.00 0.00 32.58 32.56 3dfy s HIS 316 CO 0.00 -0.45 0.81 -3.47 -0.85 0.00 0.00 174.74 170.78 3dfy n ASP 317 N 4.36 4.03 -3.43 1.40 2.03 0.62 -1.06 116.55 124.50 3dfy n ASP 317 Ca -0.18 -3.41 -0.27 0.00 0.52 0.00 0.00 54.79 51.45 3dfy n ASP 317 Cb 0.51 -0.77 -0.08 0.00 -0.72 0.00 0.00 41.12 40.06 3dfy n ASP 317 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dfy n LEU 318 N 1.08 3.83 -0.36 -2.67 4.77 -1.26 -3.29 117.00 119.10 3dfy n LEU 318 Ca 0.28 -5.45 0.03 0.00 -0.03 0.00 0.00 56.01 50.85 3dfy n LEU 318 Cb 0.39 -0.68 0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3dfy n LEU 318 CO 0.43 2.05 0.50 -0.90 -1.33 0.00 0.00 177.39 178.15 3dfy n ASP 319 N 0.85 2.23 -0.05 -1.43 5.75 -1.26 -4.74 116.55 117.89 3dfy n ASP 319 Ca 0.30 -1.75 -0.09 0.00 -0.01 0.00 0.00 54.79 53.24 3dfy n ASP 319 Cb 0.41 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.38 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 1.30 0.11 -0.00 -1.12 4.64 -1.87 -1.40 113.55 115.22 3dfy h SER 320 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3dfy h SER 320 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3dfy h SER 320 CO 0.00 0.10 0.01 1.12 -0.87 0.00 0.00 176.83 177.18 3dfy h HIS 321 N 0.21 0.00 0.00 4.77 2.07 -1.76 0.12 115.15 120.55 3dfy h HIS 321 Ca 0.10 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.61 3dfy h HIS 321 Cb 0.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.03 3dfy h HIS 321 CO -0.11 0.00 -0.49 -0.07 -3.07 0.00 0.00 177.93 174.19 3dfy h LEU 322 N 0.00 0.00 -0.00 6.12 3.38 -1.60 -3.30 115.31 119.90 3dfy h LEU 322 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dfy h LEU 322 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dfy h LEU 322 CO -0.00 0.04 0.00 0.24 0.09 0.00 0.00 178.44 178.81 3dfy h MET 323 N 0.00 0.00 0.00 1.13 2.86 -0.31 -3.47 114.93 115.14 3dfy h MET 323 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.33 3dfy h MET 323 Cb 1.03 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 3dfy h MET 323 CO 0.00 0.00 -0.17 1.47 1.06 0.00 0.00 176.91 179.27 3dfy n LEU 324 N -3.02 0.00 -4.33 1.22 -0.00 -1.17 -1.50 117.00 108.20 3dfy n LEU 324 Ca 0.04 -1.49 -0.33 0.00 -0.00 0.00 0.00 56.01 54.24 3dfy n LEU 324 Cb 0.52 0.05 -0.15 0.00 -0.00 0.00 0.00 43.42 43.84 3dfy n LEU 324 CO 0.34 -0.35 -0.49 -0.54 -0.00 0.00 0.00 177.39 176.35 3dfy s LYS 325 N -3.04 3.16 -0.01 1.47 1.02 -0.58 -4.82 119.74 116.93 3dfy s LYS 325 Ca 0.10 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.34 3dfy s LYS 325 Cb -0.01 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 3dfy s LYS 325 CO 0.06 0.25 -0.06 -1.21 -0.92 0.00 0.00 175.35 173.47 3dfy s GLU 326 N 0.22 0.55 0.04 1.68 2.02 -1.26 -4.42 118.70 117.53 3dfy s GLU 326 Ca -0.11 -0.21 -0.33 0.00 0.02 0.00 0.00 54.97 54.35 3dfy s GLU 326 Cb -0.16 -0.54 -0.18 0.00 0.10 0.00 0.00 34.13 33.35 3dfy s GLU 326 CO 0.06 0.11 1.36 0.93 0.02 0.00 0.00 175.26 177.74 3dfy h GLU 327 N 6.16 -1.11 -5.50 1.61 5.08 -2.02 -3.43 114.58 115.36 3dfy h GLU 327 Ca -0.30 0.08 -0.64 0.00 -1.00 0.00 0.00 59.36 57.49 3dfy h GLU 327 Cb 1.18 0.25 -0.32 0.00 0.50 0.00 0.00 28.75 30.36 3dfy h GLU 327 CO 0.50 -0.74 -0.87 0.54 -1.00 0.00 0.00 179.01 177.44 3dfy s VAL 328 N -5.39 1.81 0.21 3.13 0.11 -1.26 -5.10 120.40 113.92 3dfy s VAL 328 Ca -0.17 -0.91 -0.32 0.00 -2.93 0.00 0.00 61.98 57.65 3dfy s VAL 328 Cb 0.02 -1.56 -0.12 0.00 -1.53 0.00 0.00 36.38 33.19 3dfy s VAL 328 CO 0.52 0.51 1.68 0.33 -3.33 0.00 0.00 175.10 174.81 3dfy n PHE 329 N 3.25 2.69 -1.26 1.54 7.35 -1.26 -4.90 117.46 124.86 3dfy n PHE 329 Ca -0.19 0.10 0.09 0.00 -0.76 0.00 0.00 57.45 56.69 3dfy n PHE 329 Cb 0.52 -2.64 0.15 0.00 0.35 0.00 0.00 39.48 37.86 3dfy n PHE 329 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3dfy n ARG 330 N 3.64 1.27 -3.71 -4.13 1.74 -1.26 -5.04 116.66 109.18 3dfy n ARG 330 Ca 0.15 -2.67 -0.32 0.00 -0.77 0.00 0.00 57.85 54.25 3dfy n ARG 330 Cb 0.34 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.86 2.24 -0.87 -0.13 0.00 -1.26 -3.93 107.32 100.51 3dfy s GLY 331 Ca 0.32 -0.58 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 3dfy s GLY 331 CO 0.00 -0.49 2.28 0.28 0.00 0.00 0.00 173.10 175.18 3dfy n LYS 332 N 0.31 3.64 -3.89 2.90 5.02 -1.26 -4.88 118.16 120.00 3dfy n LYS 332 Ca -0.04 -3.41 -0.09 0.00 -2.02 0.00 0.00 58.31 52.75 3dfy n LYS 332 Cb 0.52 -2.35 -0.01 0.00 -0.02 0.00 0.00 35.03 33.16 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 -2.80 0.12 -0.20 2.13 -0.12 -1.26 -4.80 117.98 111.05 3dfy s PHE 333 Ca 0.52 -0.61 -0.06 0.00 -0.05 0.00 0.00 56.93 56.72 3dfy s PHE 333 Cb 0.31 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 43.26 3dfy s PHE 333 CO -0.23 -1.29 0.03 0.42 -0.05 0.00 0.00 175.22 174.10 3dfy s ILE 334 N -3.35 4.28 -0.41 -4.49 1.01 0.46 -4.96 121.20 113.74 3dfy s ILE 334 Ca 0.16 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 3dfy s ILE 334 Cb -0.04 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.53 3dfy s ILE 334 CO 0.10 0.43 0.27 -1.58 0.00 0.00 0.00 174.94 174.16 3dfy s GLN 335 N 0.85 2.87 -0.53 2.79 2.00 -1.26 -1.34 119.66 125.04 3dfy s GLN 335 Ca 0.02 -1.15 0.04 0.00 -2.00 0.00 0.00 55.36 52.27 3dfy s GLN 335 Cb -0.14 -3.89 0.13 0.00 0.80 0.00 0.00 33.01 29.92 3dfy s GLN 335 CO 0.02 -0.80 0.28 0.34 -0.50 0.00 0.00 175.29 174.63 3dfy s ASP 336 N 1.82 4.27 1.29 6.67 2.15 0.12 -5.02 116.67 127.97 3dfy s ASP 336 Ca 0.03 -3.04 0.00 0.00 0.43 0.00 0.00 52.55 49.97 3dfy s ASP 336 Cb -0.20 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 3dfy s ASP 336 CO 0.07 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 3dfy n GLY 337 N 3.06 2.57 0.00 2.66 0.00 -1.26 -1.70 105.19 110.52 3dfy n GLY 337 Ca 0.07 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.85 3dfy n GLY 337 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dfy n PRO 338 N 13.49 0.90 -4.12 1.61 -0.04 -1.26 -4.83 135.00 140.75 3dfy n PRO 338 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3dfy n PRO 338 Cb 0.00 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 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 2.65 -0.02 0.54 0.52 -0.69 0.20 118.95 120.16 3dfy s ARG 339 Ca 0.40 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.79 3dfy s ARG 339 Cb 0.18 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 3dfy s ARG 339 CO 0.31 0.52 -0.12 -1.64 0.02 0.00 0.00 175.30 174.39 3dfy s MET 340 N -2.56 1.07 0.19 3.54 -1.94 0.44 -0.70 119.30 119.34 3dfy s MET 340 Ca 0.28 -0.43 -0.07 0.00 -1.71 0.00 0.00 55.69 53.76 3dfy s MET 340 Cb -0.11 -1.01 -0.02 0.00 2.01 0.00 0.00 34.83 35.70 3dfy s MET 340 CO 0.20 0.23 0.27 1.03 -0.01 0.00 0.00 175.02 176.73 3dfy s ARG 341 N -0.14 1.25 0.26 2.03 0.52 -0.45 -1.58 118.95 120.83 3dfy s ARG 341 Ca 0.02 -1.36 0.10 0.00 -0.52 0.00 0.00 55.73 53.97 3dfy s ARG 341 Cb -0.06 0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 3dfy s ARG 341 CO -0.00 -0.46 -0.10 0.54 0.02 0.00 0.00 175.30 175.31 3dfy s VAL 342 N -4.05 3.02 -1.34 3.52 0.11 -1.26 0.18 120.40 120.58 3dfy s VAL 342 Ca 0.26 -2.06 0.11 0.00 -2.93 0.00 0.00 61.98 57.36 3dfy s VAL 342 Cb 0.04 -2.58 0.08 0.00 -1.53 0.00 0.00 36.38 32.39 3dfy s VAL 342 CO 0.06 -0.34 0.84 1.17 -3.33 0.00 0.00 175.10 173.51