#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 4.07 -0.08 0.55 1.01 -0.75 -1.06 121.20 124.94 3dfy s ILE 4 Ca 0.00 1.51 0.09 0.00 0.00 0.00 0.00 60.65 62.25 3dfy s ILE 4 Cb 0.00 -3.97 -0.13 0.00 0.01 0.00 0.00 42.46 38.37 3dfy s ILE 4 CO 0.00 0.13 0.23 1.33 0.00 0.00 0.00 174.94 176.63 3dfy n VAL 5 N 3.77 0.00 -3.51 2.92 0.24 0.30 -1.11 118.33 120.93 3dfy n VAL 5 Ca 0.08 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.34 61.99 3dfy n VAL 5 Cb 0.47 0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 33.20 3dfy n VAL 5 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dfy s ASN 6 N -2.82 -0.63 -0.03 -1.34 2.47 -1.04 -4.94 114.94 106.61 3dfy s ASN 6 Ca -0.02 0.62 0.00 0.00 0.42 0.00 0.00 52.86 53.88 3dfy s ASN 6 Cb 0.06 0.53 0.03 0.00 -1.45 0.00 0.00 41.25 40.41 3dfy s ASN 6 CO 0.37 -0.63 0.01 -0.69 -3.72 0.00 0.00 177.10 172.43 3dfy s VAL 7 N -1.47 0.13 -0.03 -5.21 1.01 -1.26 -0.53 120.40 113.04 3dfy s VAL 7 Ca -0.09 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3dfy s VAL 7 Cb -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 3dfy s VAL 7 CO 0.07 0.13 -0.13 -0.54 0.00 0.00 0.00 175.10 174.63 3dfy s LYS 8 N 0.98 1.26 -0.14 2.72 1.02 0.76 -4.82 119.74 121.52 3dfy s LYS 8 Ca -0.09 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 3dfy s LYS 8 Cb -0.13 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.01 3dfy s LYS 8 CO -0.02 0.19 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.06 3dfy s LEU 9 N 0.04 3.30 -0.04 3.17 1.02 -1.25 0.27 118.68 125.18 3dfy s LEU 9 Ca -0.02 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.07 3dfy s LEU 9 Cb -0.09 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.36 3dfy s LEU 9 CO 0.01 0.22 -0.06 -0.44 0.02 0.00 0.00 176.35 176.10 3dfy s SER 10 N 0.06 1.01 0.17 2.29 0.01 0.15 -4.90 113.70 112.49 3dfy s SER 10 Ca 0.00 -0.15 -0.31 0.00 1.31 0.00 0.00 55.95 56.81 3dfy s SER 10 Cb -0.13 -0.46 -0.09 0.00 0.21 0.00 0.00 66.02 65.55 3dfy s SER 10 CO 0.03 -0.03 1.36 -0.22 0.41 0.00 0.00 173.24 174.78 3dfy s LEU 11 N 0.77 4.39 -0.05 2.44 2.96 -1.26 0.39 118.68 128.32 3dfy s LEU 11 Ca -0.11 2.40 -0.00 0.00 -0.22 0.00 0.00 54.13 56.20 3dfy s LEU 11 Cb -0.14 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.98 3dfy s LEU 11 CO 0.01 -0.60 -0.01 -0.54 -1.32 0.00 0.00 176.35 173.89 3dfy s LYS 12 N 0.38 0.54 -0.12 1.98 -0.14 0.12 -4.90 119.74 117.59 3dfy s LYS 12 Ca 0.60 0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 55.22 3dfy s LYS 12 Cb -0.37 -0.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 3dfy s LYS 12 CO 0.35 -0.21 0.10 1.03 -0.76 0.00 0.00 175.35 175.86 3dfy s ARG 13 N 1.49 3.39 -0.12 1.68 3.00 -1.26 -0.55 118.95 126.59 3dfy s ARG 13 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 55.73 55.47 3dfy s ARG 13 Cb -0.13 -3.10 0.03 0.00 0.00 0.00 0.00 34.95 31.75 3dfy s ARG 13 CO -0.03 0.70 -0.03 0.71 0.00 0.00 0.00 175.30 176.65 3dfy s TYR 14 N -0.83 1.17 0.10 -0.53 2.02 0.29 -4.99 117.35 114.59 3dfy s TYR 14 Ca 0.13 -0.60 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 3dfy s TYR 14 Cb -0.12 -1.07 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 3dfy s TYR 14 CO 0.03 -0.47 1.04 -2.00 -1.57 0.00 0.00 175.55 172.57 3dfy s GLU 15 N 1.81 4.60 0.00 -0.62 2.12 -1.26 -0.37 118.70 124.98 3dfy s GLU 15 Ca 0.04 1.56 0.00 0.00 0.36 0.00 0.00 54.97 56.93 3dfy s GLU 15 Cb -0.13 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.89 3dfy s GLU 15 CO -0.07 0.06 0.00 0.66 -0.54 0.00 0.00 175.26 175.37 3dfy n TYR 16 N 3.06 -0.04 -1.43 5.30 4.01 -1.07 -2.07 117.16 124.91 3dfy n TYR 16 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3dfy n TYR 16 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 3dfy n TYR 16 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dfy n GLU 17 N 0.00 0.00 0.00 -0.72 1.02 -1.24 -4.77 120.64 114.93 3dfy n GLU 17 Ca 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3dfy n GLU 17 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 3dfy n GLU 17 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dfy n LYS 18 N 0.00 4.01 0.00 3.49 4.76 -1.26 -5.19 118.16 123.97 3dfy n LYS 18 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3dfy n LYS 18 Cb 0.45 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 3dfy n LYS 18 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3dfy n SER 28 N -0.08 0.44 -3.55 4.39 3.41 -1.26 -5.21 113.62 111.75 3dfy n SER 28 Ca 0.00 -0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 3dfy n SER 28 Cb 0.00 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 3dfy n SER 28 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dfy s GLU 29 N -0.24 0.83 -0.18 4.33 2.12 -1.26 -2.58 118.70 121.71 3dfy s GLU 29 Ca 0.00 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.55 3dfy s GLU 29 Cb 0.00 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.80 3dfy s GLU 29 CO 0.00 -0.26 -0.18 0.45 -0.54 0.00 0.00 175.26 174.73 3dfy s SER 30 N -1.12 3.14 -0.41 -1.70 0.15 0.50 -4.92 113.70 109.32 3dfy s SER 30 Ca -0.06 -0.67 -0.12 0.00 0.70 0.00 0.00 55.95 55.80 3dfy s SER 30 Cb -0.00 -1.42 0.06 0.00 -1.71 0.00 0.00 66.02 62.94 3dfy s SER 30 CO 0.06 -0.03 0.27 -0.13 1.20 0.00 0.00 173.24 174.61 3dfy s ARG 31 N 1.32 2.79 0.32 5.44 0.52 -1.26 -0.55 118.95 127.52 3dfy s ARG 31 Ca 0.04 -1.27 0.09 0.00 -0.52 0.00 0.00 55.73 54.06 3dfy s ARG 31 Cb -0.13 -3.85 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 3dfy s ARG 31 CO -0.12 -0.87 0.09 -0.80 0.02 0.00 0.00 175.30 173.62 3dfy s ASN 32 N 1.99 4.61 -0.26 0.23 0.01 0.29 -4.63 114.94 117.17 3dfy s ASN 32 Ca 0.03 -0.75 -0.02 0.00 -0.71 0.00 0.00 52.86 51.41 3dfy s ASN 32 Cb -0.22 -0.76 0.03 0.00 0.41 0.00 0.00 41.25 40.72 3dfy s ASN 32 CO 0.05 -0.21 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.71 3dfy s VAL 33 N -2.40 2.96 0.10 1.60 1.01 -0.30 0.10 120.40 123.47 3dfy s VAL 33 Ca 0.36 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3dfy s VAL 33 Cb -0.03 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 3dfy s VAL 33 CO 0.22 0.12 0.63 -0.70 0.00 0.00 0.00 175.10 175.37 3dfy s GLU 34 N 1.32 4.32 -0.13 2.72 2.12 0.16 -0.50 118.70 128.70 3dfy s GLU 34 Ca -0.01 0.87 -0.00 0.00 0.36 0.00 0.00 54.97 56.19 3dfy s GLU 34 Cb -0.17 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3dfy s GLU 34 CO -0.03 0.62 -0.13 0.08 -0.54 0.00 0.00 175.26 175.26 3dfy s VAL 35 N -1.11 3.07 -0.14 3.70 1.01 0.12 0.34 120.40 127.39 3dfy s VAL 35 Ca 0.31 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3dfy s VAL 35 Cb -0.21 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3dfy s VAL 35 CO 0.21 0.52 -0.20 -0.70 0.00 0.00 0.00 175.10 174.93 3dfy s GLU 36 N 0.38 2.82 -0.17 2.72 2.12 0.14 -1.76 118.70 124.95 3dfy s GLU 36 Ca -0.10 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.42 3dfy s GLU 36 Cb -0.16 -2.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.88 3dfy s GLU 36 CO 0.05 -0.07 -0.05 0.42 -0.54 0.00 0.00 175.26 175.07 3dfy s ILE 37 N 0.97 3.62 -0.14 -3.70 1.01 -0.21 -0.17 121.20 122.57 3dfy s ILE 37 Ca -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 3dfy s ILE 37 Cb -0.15 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 3dfy s ILE 37 CO -0.04 0.47 -0.12 -0.69 0.00 0.00 0.00 174.94 174.56 3dfy s VAL 38 N 0.71 3.05 0.27 2.92 1.01 0.31 -0.84 120.40 127.82 3dfy s VAL 38 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3dfy s VAL 38 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3dfy s VAL 38 CO 0.02 0.51 0.44 -0.76 0.00 0.00 0.00 175.10 175.31 3dfy s LEU 39 N 0.51 4.18 0.54 3.92 1.02 -0.42 0.11 118.68 128.55 3dfy s LEU 39 Ca -0.08 0.28 0.25 0.00 0.02 0.00 0.00 54.13 54.60 3dfy s LEU 39 Cb -0.16 -3.10 1.53 0.00 0.02 0.00 0.00 46.19 44.49 3dfy s LEU 39 CO 0.04 -0.15 2.16 1.05 0.02 0.00 0.00 176.35 179.47 3dfy h GLU 40 N 1.20 0.00 0.00 1.70 4.11 -1.42 0.22 114.58 120.39 3dfy h GLU 40 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3dfy h GLU 40 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dfy h GLU 40 CO 0.63 0.06 0.00 -1.13 0.07 0.00 0.00 179.01 178.63 3dfy n SER 41 N -3.97 0.06 0.00 3.06 3.41 -1.26 -4.85 113.62 110.07 3dfy n SER 41 Ca -0.03 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3dfy n SER 41 Cb 0.14 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3dfy n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 42 N 0.06 0.33 3.77 5.00 0.00 0.07 -5.06 105.19 109.36 3dfy n GLY 42 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.11 3.03 -0.08 1.61 1.01 -1.26 -4.80 120.40 117.81 3dfy s VAL 43 Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3dfy s VAL 43 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3dfy s VAL 43 CO 0.00 0.00 -0.10 -0.54 0.00 0.00 0.00 175.10 174.46 3dfy s LYS 44 N -2.66 1.63 -0.03 2.72 1.02 -1.26 -1.30 119.74 119.86 3dfy s LYS 44 Ca 0.63 -0.35 -0.00 0.00 0.02 0.00 0.00 55.97 56.26 3dfy s LYS 44 Cb -0.30 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 3dfy s LYS 44 CO 0.36 -0.08 0.03 0.20 -0.92 0.00 0.00 175.35 174.95 3dfy s GLY 45 N 1.03 1.93 -0.03 -3.33 0.00 -0.02 -4.67 107.32 102.22 3dfy s GLY 45 Ca -0.08 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.83 3dfy s GLY 45 CO -0.01 -0.71 -0.21 -0.19 0.00 0.00 0.00 173.10 171.98 3dfy s TYR 46 N -1.06 1.93 0.05 1.90 2.02 -1.26 -1.05 117.35 119.88 3dfy s TYR 46 Ca 0.19 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.40 3dfy s TYR 46 Cb -0.12 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3dfy s TYR 46 CO 0.09 -0.10 0.05 0.20 -1.57 0.00 0.00 175.55 174.23 3dfy s GLY 47 N -0.30 0.29 -0.04 0.71 0.00 -0.72 -4.02 107.32 103.24 3dfy s GLY 47 Ca 0.03 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.92 3dfy s GLY 47 CO 0.01 -0.99 -0.12 1.85 0.00 0.00 0.00 173.10 173.84 3dfy s GLU 48 N -3.40 1.32 -0.26 2.90 2.12 -1.26 0.12 118.70 120.24 3dfy s GLU 48 Ca 0.02 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 54.87 3dfy s GLU 48 Cb 0.04 -1.18 -0.01 0.00 0.26 0.00 0.00 34.13 33.24 3dfy s GLU 48 CO -0.08 0.14 0.05 0.00 -0.54 0.00 0.00 175.26 174.83 3dfy s ALA 49 N 0.22 3.07 -0.62 6.30 0.00 0.35 -4.36 121.76 126.72 3dfy s ALA 49 Ca -0.05 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 3dfy s ALA 49 Cb -0.11 -2.03 0.16 0.00 0.00 0.00 0.00 23.12 21.14 3dfy s ALA 49 CO 0.01 -0.60 0.44 0.45 0.00 0.00 0.00 175.76 176.06 3dfy s SER 50 N 1.56 5.21 0.74 0.00 0.15 -1.26 -1.15 113.70 118.95 3dfy s SER 50 Ca 0.05 -2.86 -0.14 0.00 0.70 0.00 0.00 55.95 53.70 3dfy s SER 50 Cb -0.15 -1.85 0.05 0.00 -1.71 0.00 0.00 66.02 62.35 3dfy s SER 50 CO 0.02 -0.36 1.18 -2.16 1.20 0.00 0.00 173.24 173.12 3dfy s PRO 51 N -0.08 2.10 -0.12 5.44 0.04 -1.26 -4.64 135.00 136.47 3dfy s PRO 51 Ca 0.17 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 3dfy s PRO 51 Cb -0.20 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.54 3dfy s PRO 51 CO -0.03 -1.85 0.05 0.45 0.04 0.00 0.00 177.00 175.66 3dfy s SER 52 N -2.24 2.03 0.07 6.66 0.15 -1.26 -4.91 113.70 114.21 3dfy s SER 52 Ca 0.72 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.81 3dfy s SER 52 Cb -0.27 -0.35 -0.12 0.00 -1.71 0.00 0.00 66.02 63.57 3dfy s SER 52 CO 0.47 -0.28 1.39 0.15 1.20 0.00 0.00 173.24 176.17 3dfy h PHE 53 N 8.36 0.59 -0.32 3.44 3.57 -1.80 -0.50 116.94 130.27 3dfy h PHE 53 Ca -0.16 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.11 3dfy h PHE 53 Cb 1.13 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3dfy h PHE 53 CO 0.33 0.83 -0.02 -0.09 -2.23 0.00 0.00 178.31 177.13 3dfy h ARG 54 N 0.18 0.58 0.03 1.11 2.43 -1.93 0.76 114.38 117.54 3dfy h ARG 54 Ca 0.04 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 58.84 3dfy h ARG 54 Cb 0.72 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3dfy h ARG 54 CO 0.05 0.73 -0.89 0.28 -1.51 0.00 0.00 179.97 178.63 3dfy h VAL 55 N 0.38 1.23 -0.01 0.20 2.07 -1.98 -3.40 116.25 114.74 3dfy h VAL 55 Ca 0.09 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3dfy h VAL 55 Cb 0.48 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3dfy h VAL 55 CO 0.02 0.50 -0.52 0.59 0.02 0.00 0.00 177.57 178.18 3dfy n ASN 56 N -4.37 1.39 -0.25 0.57 3.02 -0.41 -4.98 115.26 110.23 3dfy n ASN 56 Ca -0.23 -1.19 -0.03 0.00 -0.03 0.00 0.00 54.58 53.09 3dfy n ASN 56 Cb 0.67 0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 40.49 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 1.28 0.62 3.91 7.41 0.00 0.26 -4.94 105.19 113.73 3dfy n GLY 57 Ca 0.06 -0.43 -0.27 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 -1.63 3.55 -0.04 1.61 2.02 -0.76 -4.83 118.70 118.62 3dfy s GLU 58 Ca 0.00 0.21 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 3dfy s GLU 58 Cb 0.00 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.89 3dfy s GLU 58 CO 0.00 -0.21 0.03 1.03 0.02 0.00 0.00 175.26 176.13 3dfy s ARG 59 N -4.74 0.19 0.37 1.61 0.52 -1.26 -2.47 118.95 113.17 3dfy s ARG 59 Ca 0.47 0.21 0.19 0.00 -0.52 0.00 0.00 55.73 56.08 3dfy s ARG 59 Cb -0.10 -0.57 1.19 0.00 0.52 0.00 0.00 34.95 35.99 3dfy s ARG 59 CO 0.45 -0.25 1.65 -0.24 0.02 0.00 0.00 175.30 176.93 3dfy h VAL 60 N 6.34 0.24 -0.10 3.52 3.04 -1.93 0.50 116.25 127.85 3dfy h VAL 60 Ca -0.27 -0.08 -0.06 0.00 -1.01 0.00 0.00 66.70 65.28 3dfy h VAL 60 Cb 1.13 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 3dfy h VAL 60 CO 0.31 0.04 -0.22 -0.33 -1.01 0.00 0.00 177.57 176.37 3dfy h GLU 61 N 0.24 0.17 -0.32 4.17 3.07 -1.97 -2.22 114.58 117.72 3dfy h GLU 61 Ca 0.76 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.44 3dfy h GLU 61 Cb 1.92 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.81 3dfy h GLU 61 CO -0.57 0.39 -0.30 0.00 -1.40 0.00 0.00 179.01 177.13 3dfy h ALA 62 N 1.62 0.46 0.28 3.43 0.00 -0.43 -2.30 119.26 122.32 3dfy h ALA 62 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3dfy h ALA 62 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dfy h ALA 62 CO 0.03 0.49 -0.14 -0.07 0.00 0.00 0.00 179.25 179.57 3dfy h LEU 63 N 0.53 -0.32 -1.27 0.00 4.07 -1.13 -2.77 115.31 114.41 3dfy h LEU 63 Ca 0.05 -0.02 0.14 0.00 0.08 0.00 0.00 57.88 58.13 3dfy h LEU 63 Cb 0.87 0.08 -0.07 0.00 1.08 0.00 0.00 40.66 42.63 3dfy h LEU 63 CO 0.08 -0.19 0.57 -0.07 -1.08 0.00 0.00 178.44 177.74 3dfy h LEU 64 N -0.42 0.67 -1.58 1.67 3.38 -1.42 -1.73 115.31 115.88 3dfy h LEU 64 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dfy h LEU 64 Cb 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dfy h LEU 64 CO 0.06 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3dfy h ALA 65 N 1.59 1.00 -0.51 1.53 0.00 -1.12 -2.98 119.26 118.78 3dfy h ALA 65 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 3dfy h ALA 65 Cb 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3dfy h ALA 65 CO -0.20 0.00 0.06 0.44 0.00 0.00 0.00 179.25 179.55 3dfy n ILE 66 N -2.69 2.66 -0.07 0.00 -5.35 -0.65 -4.66 119.36 108.61 3dfy n ILE 66 Ca -0.00 -1.69 -0.07 0.00 -0.27 0.00 0.00 62.75 60.72 3dfy n ILE 66 Cb 0.18 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 37.77 3dfy n ILE 66 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3dfy h GLU 67 N 2.82 -0.05 -0.70 6.28 4.81 -1.65 -1.52 114.58 124.56 3dfy h GLU 67 Ca 0.08 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3dfy h GLU 67 Cb 1.89 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.23 3dfy h GLU 67 CO 0.47 -0.04 0.40 -0.91 -0.73 0.00 0.00 179.01 178.21 3dfy h ASN 68 N -0.06 0.62 -0.31 1.04 2.35 -1.88 -1.02 115.58 116.32 3dfy h ASN 68 Ca 0.14 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3dfy h ASN 68 Cb 0.27 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3dfy h ASN 68 CO -0.31 0.40 0.18 0.00 -1.65 0.00 0.00 177.43 176.05 3dfy h ALA 69 N 1.35 0.40 -0.64 -0.83 0.00 -1.77 -0.30 119.26 117.46 3dfy h ALA 69 Ca 0.31 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3dfy h ALA 69 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3dfy h ALA 69 CO -0.17 -0.09 0.41 0.28 0.00 0.00 0.00 179.25 179.68 3dfy h VAL 70 N 0.39 1.12 -0.71 0.00 2.07 -0.76 -0.88 116.25 117.48 3dfy h VAL 70 Ca 0.11 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3dfy h VAL 70 Cb 0.04 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3dfy h VAL 70 CO -0.02 0.15 0.18 -0.09 0.02 0.00 0.00 177.57 177.81 3dfy h ARG 71 N 0.82 1.13 0.00 1.57 2.43 -0.92 -2.54 114.38 116.86 3dfy h ARG 71 Ca 0.25 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3dfy h ARG 71 Cb -0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3dfy h ARG 71 CO -0.08 0.99 -0.32 1.49 -1.51 0.00 0.00 179.97 180.54 3dfy h GLU 72 N 1.07 0.00 -0.04 0.20 4.22 -0.60 -1.33 114.58 118.09 3dfy h GLU 72 Ca 0.22 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.50 3dfy h GLU 72 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3dfy h GLU 72 CO 0.00 0.32 -0.68 0.52 -2.18 0.00 0.00 179.01 176.99 3dfy h MET 73 N 0.00 0.19 0.00 1.92 2.86 -0.74 -3.37 114.93 115.79 3dfy h MET 73 Ca -0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3dfy h MET 73 Cb 0.68 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3dfy h MET 73 CO 0.04 0.80 0.00 0.44 1.06 0.00 0.00 176.91 179.25 3dfy n ILE 74 N -3.80 0.00 -2.05 -1.22 -5.35 -1.15 -5.01 119.36 100.78 3dfy n ILE 74 Ca -0.02 -0.46 -0.41 0.00 -0.27 0.00 0.00 62.75 61.58 3dfy n ILE 74 Cb 0.67 1.07 -0.02 0.00 -1.74 0.00 0.00 39.64 39.62 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 -0.16 2.72 0.00 7.28 2.01 -0.51 -2.63 115.64 124.35 3dfy s THR 75 Ca 0.00 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.63 3dfy s THR 75 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3dfy s THR 75 CO 0.00 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 3dfy n GLY 76 N 1.87 0.78 3.80 4.40 0.00 -0.27 -4.98 105.19 110.79 3dfy n GLY 76 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.34 5.16 0.22 -0.61 1.01 -1.08 -4.71 121.20 118.85 3dfy s ILE 77 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 3dfy s ILE 77 Cb 0.00 -3.68 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3dfy s ILE 77 CO 0.00 0.50 1.09 -0.62 0.00 0.00 0.00 174.94 175.91 3dfy s ASP 78 N -0.46 7.29 0.34 3.58 -1.08 -1.26 -1.81 116.67 123.28 3dfy s ASP 78 Ca 0.22 2.15 0.26 0.00 -0.52 0.00 0.00 52.55 54.65 3dfy s ASP 78 Cb -0.15 -2.61 1.17 0.00 -1.46 0.00 0.00 42.92 39.87 3dfy s ASP 78 CO 0.10 -0.16 1.78 -0.37 0.52 0.00 0.00 175.17 177.03 3dfy h VAL 79 N 3.44 0.00 0.00 1.11 -1.51 -1.94 -1.62 116.25 115.74 3dfy h VAL 79 Ca -0.45 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3dfy h VAL 79 Cb 1.21 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3dfy h VAL 79 CO 0.70 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.93 3dfy n ARG 80 N -2.42 0.02 -1.97 5.19 1.85 -1.26 -1.65 116.66 116.42 3dfy n ARG 80 Ca 0.01 0.23 -0.31 0.00 -1.00 0.00 0.00 57.85 56.78 3dfy n ARG 80 Cb 0.19 -1.53 0.03 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.57 6.14 0.27 2.89 3.02 -0.61 -4.81 115.26 120.58 3dfy n ASN 81 Ca 0.04 -3.77 0.18 0.00 -0.03 0.00 0.00 54.58 50.99 3dfy n ASN 81 Cb 0.20 -0.70 0.93 0.00 -0.61 0.00 0.00 39.78 39.60 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 2.45 0.00 0.00 3.10 -0.00 -1.47 -0.57 116.97 120.48 3dfy h TYR 82 Ca 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.14 3dfy h TYR 82 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.55 3dfy h TYR 82 CO 1.05 0.00 -0.19 0.00 -0.00 0.00 0.00 178.16 179.03 3dfy h ALA 83 N 1.79 1.58 -0.01 0.10 0.00 -1.88 0.18 119.26 121.04 3dfy h ALA 83 Ca 0.04 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 3dfy h ALA 83 Cb 0.33 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3dfy h ALA 83 CO -0.00 0.23 -1.04 0.00 0.00 0.00 0.00 179.25 178.45 3dfy h ARG 84 N 0.00 0.71 -0.61 0.00 3.08 -1.49 -1.91 114.38 114.16 3dfy h ARG 84 Ca -0.00 -0.76 -0.02 0.00 0.07 0.00 0.00 59.98 59.28 3dfy h ARG 84 Cb 0.35 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3dfy h ARG 84 CO 0.02 1.33 0.32 0.82 -1.07 0.00 0.00 179.97 181.39 3dfy h ILE 85 N 0.41 1.20 -0.48 2.04 2.04 -1.36 -1.23 117.51 120.12 3dfy h ILE 85 Ca -0.13 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3dfy h ILE 85 Cb 1.69 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3dfy h ILE 85 CO 0.20 0.22 0.31 -0.26 0.00 0.00 0.00 178.15 178.62 3dfy h PHE 86 N 0.82 0.61 -0.31 1.37 -1.00 -0.62 -0.52 116.94 117.30 3dfy h PHE 86 Ca 0.21 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 3dfy h PHE 86 Cb 0.07 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 3dfy h PHE 86 CO -0.01 0.40 0.16 1.49 -1.61 0.00 0.00 178.31 178.74 3dfy h GLU 87 N 0.64 0.43 -0.36 1.51 4.81 -1.03 -1.46 114.58 119.13 3dfy h GLU 87 Ca 0.17 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3dfy h GLU 87 Cb -0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3dfy h GLU 87 CO -0.04 0.39 0.20 0.82 -0.73 0.00 0.00 179.01 179.65 3dfy h ILE 88 N 0.37 1.14 0.00 2.32 2.04 -1.02 -2.69 117.51 119.67 3dfy h ILE 88 Ca 0.11 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3dfy h ILE 88 Cb 0.10 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3dfy h ILE 88 CO -0.01 0.15 0.00 0.71 0.00 0.00 0.00 178.15 178.99 3dfy h THR 89 N 0.46 0.00 0.00 -0.27 1.35 -0.94 -2.27 112.91 111.24 3dfy h THR 89 Ca 0.13 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3dfy h THR 89 Cb 0.06 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3dfy h THR 89 CO -0.02 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.69 3dfy h ASP 90 N 0.00 0.00 0.66 5.36 3.32 -0.91 0.38 116.42 125.23 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 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 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 -2.33 0.13 -0.95 3.56 1.74 -0.85 -3.08 116.66 114.88 3dfy n ARG 91 Ca 0.00 0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 56.97 3dfy n ARG 91 Cb 0.15 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.42 6.45 0.25 0.55 4.77 0.12 -4.56 117.00 123.16 3dfy n LEU 92 Ca 0.08 -3.38 0.17 0.00 -0.03 0.00 0.00 56.01 52.84 3dfy n LEU 92 Cb 0.24 -0.96 0.86 0.00 -2.33 0.00 0.00 43.42 41.23 3dfy n LEU 92 CO 0.20 1.18 1.00 2.19 -1.33 0.00 0.00 177.39 180.64 3dfy h PHE 93 N 1.38 0.00 -0.00 -1.77 -5.15 -1.76 0.11 116.94 109.75 3dfy h PHE 93 Ca 0.38 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.15 3dfy h PHE 93 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 3dfy h PHE 93 CO 0.98 0.00 -0.25 0.41 -2.00 0.00 0.00 178.31 177.45 3dfy n GLY 94 N -0.94 -0.91 2.51 6.09 0.00 -1.26 -3.97 105.19 106.71 3dfy n GLY 94 Ca -0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 3dfy n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dfy n PHE 95 N -0.98 1.55 -0.34 1.61 3.72 0.37 -4.76 117.46 118.63 3dfy n PHE 95 Ca 0.11 -3.38 0.24 0.00 -0.05 0.00 0.00 57.45 54.37 3dfy n PHE 95 Cb 0.32 -0.37 0.52 0.00 -0.94 0.00 0.00 39.48 39.02 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 2.94 0.35 -0.33 -1.08 0.13 -1.66 -0.79 132.00 131.56 3dfy h PRO 96 Ca 0.06 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.03 3dfy h PRO 96 Cb 0.97 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3dfy h PRO 96 CO 0.60 0.23 -0.35 0.66 -0.23 0.00 0.00 178.00 178.90 3dfy h SER 97 N 0.36 0.78 -0.21 1.44 4.64 -1.83 -1.16 113.55 117.57 3dfy h SER 97 Ca 0.63 -0.33 -0.11 0.00 -0.47 0.00 0.00 61.79 61.50 3dfy h SER 97 Cb 1.63 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3dfy h SER 97 CO -0.33 1.05 -0.31 0.25 -0.87 0.00 0.00 176.83 176.63 3dfy h LEU 98 N 0.62 0.64 -0.87 5.97 5.85 -1.55 -1.92 115.31 124.05 3dfy h LEU 98 Ca 0.06 -0.52 0.15 0.00 0.84 0.00 0.00 57.88 58.41 3dfy h LEU 98 Cb 0.89 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 3dfy h LEU 98 CO 0.08 1.03 0.46 0.50 -0.34 0.00 0.00 178.44 180.17 3dfy h LYS 99 N 0.26 0.64 0.05 1.25 3.64 -1.00 0.69 116.57 122.11 3dfy h LYS 99 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3dfy h LYS 99 Cb 0.89 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3dfy h LYS 99 CO 0.07 0.42 -0.02 0.00 -2.27 0.00 0.00 179.45 177.65 3dfy h ALA 100 N 1.56 -0.06 -0.09 5.00 0.00 -1.03 -1.84 119.26 122.80 3dfy h ALA 100 Ca 0.47 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3dfy h ALA 100 Cb 0.66 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3dfy h ALA 100 CO -0.36 -0.41 -0.12 0.00 0.00 0.00 0.00 179.25 178.37 3dfy h ALA 101 N 0.63 -0.05 -0.75 0.00 0.00 -0.44 0.11 119.26 118.76 3dfy h ALA 101 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dfy h ALA 101 Cb 0.28 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3dfy h ALA 101 CO 0.01 -0.58 0.48 0.28 0.00 0.00 0.00 179.25 179.44 3dfy h VAL 102 N -0.15 1.20 -0.50 0.00 2.07 -0.94 0.09 116.25 118.01 3dfy h VAL 102 Ca 0.07 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3dfy h VAL 102 Cb 0.26 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3dfy h VAL 102 CO -0.18 0.20 -0.12 1.56 0.02 0.00 0.00 177.57 179.04 3dfy h GLN 103 N 1.02 0.94 -0.08 1.57 4.20 -0.75 -1.91 115.11 120.11 3dfy h GLN 103 Ca 0.27 -0.34 -0.25 0.00 0.06 0.00 0.00 58.65 58.39 3dfy h GLN 103 Cb -0.10 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 27.64 3dfy h GLN 103 CO -0.06 1.00 -0.91 0.35 -0.67 0.00 0.00 178.83 178.54 3dfy h PHE 104 N 0.84 1.07 -0.62 2.96 3.57 -0.58 -2.91 116.94 121.26 3dfy h PHE 104 Ca 0.13 -0.53 0.09 0.00 3.53 0.00 0.00 57.97 61.20 3dfy h PHE 104 Cb 0.66 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3dfy h PHE 104 CO 0.04 1.36 0.42 0.00 -2.23 0.00 0.00 178.31 177.90 3dfy h ALA 105 N 0.47 1.94 -0.39 2.41 0.00 -0.90 0.31 119.26 123.10 3dfy h ALA 105 Ca -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3dfy h ALA 105 Cb 1.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3dfy h ALA 105 CO 0.18 -0.07 0.07 1.15 0.00 0.00 0.00 179.25 180.58 3dfy h THR 106 N 0.48 1.24 -0.01 0.00 2.02 -1.23 -1.67 112.91 113.73 3dfy h THR 106 Ca 0.28 -0.84 -0.14 0.00 0.77 0.00 0.00 66.41 66.49 3dfy h THR 106 Cb 0.48 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3dfy h THR 106 CO -0.08 0.29 -0.64 -0.07 0.37 0.00 0.00 175.52 175.39 3dfy h LEU 107 N 0.49 0.07 -0.40 2.58 3.38 -0.87 -1.48 115.31 119.07 3dfy h LEU 107 Ca 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dfy h LEU 107 Cb 0.35 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dfy h LEU 107 CO 0.01 0.69 0.18 -0.78 0.09 0.00 0.00 178.44 178.62 3dfy h ASP 108 N 0.04 0.54 -0.27 -0.43 3.58 -0.27 0.65 116.42 120.26 3dfy h ASP 108 Ca -0.01 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.22 3dfy h ASP 108 Cb 1.13 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 3dfy h ASP 108 CO 0.09 0.54 -0.12 0.00 -2.88 0.00 0.00 179.24 176.87 3dfy h ALA 109 N 1.02 0.37 -0.26 -0.78 0.00 -1.19 -2.72 119.26 115.71 3dfy h ALA 109 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3dfy h ALA 109 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dfy h ALA 109 CO -0.01 0.23 0.13 1.25 0.00 0.00 0.00 179.25 180.85 3dfy h LEU 110 N 0.28 0.34 -0.90 0.00 5.85 -1.16 -1.67 115.31 118.05 3dfy h LEU 110 Ca 0.06 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.74 3dfy h LEU 110 Cb 0.62 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3dfy h LEU 110 CO 0.04 0.36 0.56 0.77 -0.34 0.00 0.00 178.44 179.83 3dfy h SER 111 N 0.29 0.85 -0.10 1.25 4.64 -0.89 0.15 113.55 119.74 3dfy h SER 111 Ca 0.09 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3dfy h SER 111 Cb 0.11 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3dfy h SER 111 CO -0.01 0.52 0.05 1.56 -0.87 0.00 0.00 176.83 178.07 3dfy h GLN 112 N 0.97 0.15 0.00 4.77 4.20 -1.17 0.11 115.11 124.14 3dfy h GLN 112 Ca 0.41 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 3dfy h GLN 112 Cb 0.27 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3dfy h GLN 112 CO -0.21 0.22 -0.06 0.93 -0.67 0.00 0.00 178.83 179.04 3dfy h GLU 113 N 0.04 0.00 -0.22 1.46 5.08 -0.31 -0.40 114.58 120.23 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 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dfy h GLU 113 CO -0.00 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 3dfy n LEU 114 N -3.80 2.35 -1.78 1.33 4.77 0.41 -4.95 117.00 115.34 3dfy n LEU 114 Ca -0.02 -0.97 -0.15 0.00 -0.03 0.00 0.00 56.01 54.84 3dfy n LEU 114 Cb 0.15 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3dfy n LEU 114 CO 0.29 0.49 -0.14 0.61 -1.33 0.00 0.00 177.39 177.31 3dfy n GLY 115 N 1.27 -0.21 0.00 -0.72 0.00 -0.16 -4.99 105.19 100.38 3dfy n GLY 115 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.04 0.00 -4.41 2.61 5.66 0.26 -5.02 114.28 109.34 3dfy n THR 116 Ca -0.15 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.56 3dfy n THR 116 Cb 0.62 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.96 1.63 0.28 1.09 -0.21 -1.26 -3.94 119.66 116.28 3dfy s GLN 117 Ca 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.15 3dfy s GLN 117 Cb 0.00 -2.01 0.65 0.00 1.00 0.00 0.00 33.01 32.65 3dfy s GLN 117 CO 0.00 0.47 1.66 0.28 -2.12 0.00 0.00 175.29 175.59 3dfy h VAL 118 N 3.77 0.38 -0.67 1.09 2.07 -1.92 -0.01 116.25 120.96 3dfy h VAL 118 Ca -0.50 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3dfy h VAL 118 Cb 1.17 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3dfy h VAL 118 CO 0.43 0.05 0.44 0.00 0.02 0.00 0.00 177.57 178.51 3dfy h TYR 120 N 0.69 0.56 -0.20 0.00 0.05 -1.37 0.15 116.97 116.84 3dfy h TYR 120 Ca 0.29 -0.31 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3dfy h TYR 120 Cb 0.26 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3dfy h TYR 120 CO -0.00 1.13 0.10 1.25 -1.05 0.00 0.00 178.16 179.58 3dfy h LEU 121 N 0.21 0.24 -0.56 3.88 5.85 -0.46 -0.95 115.31 123.51 3dfy h LEU 121 Ca -0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3dfy h LEU 121 Cb 1.58 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3dfy h LEU 121 CO 0.16 0.21 -0.03 0.18 -0.34 0.00 0.00 178.44 178.62 3dfy n LEU 122 N -4.47 0.91 0.00 2.25 4.77 -0.19 -4.89 117.00 115.37 3dfy n LEU 122 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3dfy n LEU 122 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3dfy n LEU 122 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3dfy n GLY 123 N 1.15 1.34 4.02 -0.72 0.00 -0.36 -4.02 105.19 106.60 3dfy n GLY 123 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3dfy n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfy n GLY 124 N 0.00 -0.43 0.17 -0.02 0.00 0.50 -4.89 105.19 100.52 3dfy n GLY 124 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3dfy n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dfy h LYS 125 N -1.83 0.52 -5.83 1.61 1.63 -0.99 -3.46 116.57 108.22 3dfy h LYS 125 Ca -0.59 -0.12 -0.51 0.00 -0.85 0.00 0.00 60.65 58.58 3dfy h LYS 125 Cb 1.38 -0.07 -0.15 0.00 -0.60 0.00 0.00 32.23 32.78 3dfy h LYS 125 CO 0.70 0.56 -0.76 1.03 -3.45 0.00 0.00 179.45 177.54 3dfy s ARG 126 N -5.37 1.39 -0.06 1.90 0.52 -0.22 -4.96 118.95 112.16 3dfy s ARG 126 Ca -0.13 -1.58 0.18 0.00 -0.52 0.00 0.00 55.73 53.68 3dfy s ARG 126 Cb 0.09 -1.34 -0.28 0.00 0.52 0.00 0.00 34.95 33.95 3dfy s ARG 126 CO 0.75 0.25 0.33 -0.25 0.02 0.00 0.00 175.30 176.39 3dfy n ASP 127 N -0.23 0.66 -3.87 0.23 8.00 -1.26 -4.61 116.55 115.48 3dfy n ASP 127 Ca -0.09 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 3dfy n ASP 127 Cb 0.59 1.64 -0.11 0.00 -0.02 0.00 0.00 41.12 43.22 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 -3.10 0.38 0.10 -1.24 2.12 -1.26 -3.81 118.70 111.88 3dfy s GLU 128 Ca -0.07 -0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.01 3dfy s GLU 128 Cb 0.10 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 3dfy s GLU 128 CO 0.77 -0.08 -0.06 0.96 -0.54 0.00 0.00 175.26 176.31 3dfy s ILE 129 N -0.99 0.65 -0.07 -3.70 -4.36 -0.74 -4.99 121.20 106.99 3dfy s ILE 129 Ca -0.11 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 58.39 3dfy s ILE 129 Cb -0.06 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.97 3dfy s ILE 129 CO 0.01 -0.87 -0.17 -0.70 0.24 0.00 0.00 174.94 173.44 3dfy s GLU 130 N -3.84 2.19 0.26 0.37 2.12 -1.26 -0.86 118.70 117.66 3dfy s GLU 130 Ca 0.12 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.88 3dfy s GLU 130 Cb 0.06 -1.75 -0.03 0.00 0.26 0.00 0.00 34.13 32.66 3dfy s GLU 130 CO -0.05 0.13 0.33 -0.08 -0.54 0.00 0.00 175.26 175.06 3dfy s THR 131 N 0.40 4.89 0.42 -1.70 -1.32 0.73 -3.86 115.64 115.19 3dfy s THR 131 Ca -0.14 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.26 3dfy s THR 131 Cb -0.16 -3.69 0.08 0.00 -1.51 0.00 0.00 72.50 67.23 3dfy s THR 131 CO 0.05 -0.31 0.57 -0.90 -2.21 0.00 0.00 174.62 171.82 3dfy n ASP 132 N -1.38 0.88 -4.04 8.08 5.68 -0.25 -4.77 116.55 120.75 3dfy n ASP 132 Ca -0.08 -1.72 -0.14 0.00 -0.50 0.00 0.00 54.79 52.36 3dfy n ASP 132 Cb 0.57 -0.36 -0.12 0.00 -1.14 0.00 0.00 41.12 40.07 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 -3.91 0.53 -0.12 0.11 2.47 -1.13 -4.41 119.74 113.28 3dfy s LYS 133 Ca 0.39 -0.59 -0.08 0.00 -1.56 0.00 0.00 55.97 54.12 3dfy s LYS 133 Cb -0.02 -0.38 -0.04 0.00 -1.46 0.00 0.00 37.83 35.93 3dfy s LYS 133 CO 0.25 0.08 0.17 0.99 0.16 0.00 0.00 175.35 177.01 3dfy s THR 134 N -0.97 5.44 -0.42 3.43 2.01 -1.26 -1.39 115.64 122.46 3dfy s THR 134 Ca -0.06 0.29 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 3dfy s THR 134 Cb -0.07 -3.45 0.09 0.00 0.01 0.00 0.00 72.50 69.07 3dfy s THR 134 CO 0.00 0.59 0.26 -0.69 -0.69 0.00 0.00 174.62 174.09 3dfy s VAL 135 N -0.82 4.11 1.15 3.82 1.01 0.70 -4.95 120.40 125.43 3dfy s VAL 135 Ca 0.15 -1.53 -0.19 0.00 0.00 0.00 0.00 61.98 60.42 3dfy s VAL 135 Cb -0.12 -3.57 0.27 0.00 0.00 0.00 0.00 36.38 32.95 3dfy s VAL 135 CO 0.04 -0.56 1.18 -0.83 0.00 0.00 0.00 175.10 174.93 3dfy s GLY 136 N 2.18 1.65 0.10 4.51 0.00 -1.26 -1.93 107.32 112.57 3dfy s GLY 136 Ca 0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.38 3dfy s GLY 136 CO 0.01 -0.20 1.16 -0.42 0.00 0.00 0.00 173.10 173.65 3dfy s ILE 137 N -3.27 4.00 0.00 0.90 1.01 -1.26 -4.74 121.20 117.83 3dfy s ILE 137 Ca 0.72 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.90 3dfy s ILE 137 Cb -0.07 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3dfy s ILE 137 CO 0.55 0.17 0.00 -0.67 0.00 0.00 0.00 174.94 174.99 3dfy n ASP 138 N 3.37 0.00 -4.77 3.58 -0.08 -1.26 -5.07 116.55 112.32 3dfy n ASP 138 Ca 0.07 -0.71 -0.37 0.00 -1.51 0.00 0.00 54.79 52.27 3dfy n ASP 138 Cb 0.46 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.92 3dfy n ASP 138 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dfy s THR 139 N -2.51 3.09 0.58 5.18 -4.23 -1.26 -4.78 115.64 111.71 3dfy s THR 139 Ca 0.00 0.78 0.29 0.00 -1.18 0.00 0.00 61.69 61.58 3dfy s THR 139 Cb 0.00 -3.37 0.40 0.00 1.34 0.00 0.00 72.50 70.87 3dfy s THR 139 CO 0.00 -0.05 1.85 0.58 -0.54 0.00 0.00 174.62 176.46 3dfy h VAL 140 N 1.67 0.35 -0.01 2.29 2.07 -1.99 0.46 116.25 121.10 3dfy h VAL 140 Ca -0.50 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3dfy h VAL 140 Cb 1.25 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3dfy h VAL 140 CO 0.59 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 177.77 3dfy h GLU 141 N 0.00 0.06 -0.23 1.57 5.08 -2.00 -2.92 114.58 116.14 3dfy h GLU 141 Ca 0.27 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3dfy h GLU 141 Cb 1.41 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 3dfy h GLU 141 CO -0.00 0.78 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.81 3dfy h ASN 142 N -0.63 0.34 0.09 1.42 -0.26 -1.34 -1.96 115.58 113.24 3dfy h ASN 142 Ca -0.01 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 3dfy h ASN 142 Cb 0.81 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 3dfy h ASN 142 CO 0.02 0.46 -0.05 0.03 -1.06 0.00 0.00 177.43 176.83 3dfy h ARG 143 N 0.35 -0.12 -0.55 0.81 3.08 -1.12 0.11 114.38 116.94 3dfy h ARG 143 Ca 0.07 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3dfy h ARG 143 Cb 0.35 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3dfy h ARG 143 CO 0.02 0.05 0.36 0.28 -1.07 0.00 0.00 179.97 179.61 3dfy h VAL 144 N -0.28 1.10 -0.07 2.04 2.07 -1.34 0.14 116.25 119.91 3dfy h VAL 144 Ca -0.01 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3dfy h VAL 144 Cb 0.23 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3dfy h VAL 144 CO 0.02 0.12 0.02 0.50 0.02 0.00 0.00 177.57 178.26 3dfy h LYS 145 N 0.68 0.11 0.34 1.57 1.63 -0.83 0.86 116.57 120.93 3dfy h LYS 145 Ca 0.21 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 3dfy h LYS 145 Cb 0.01 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3dfy h LYS 145 CO -0.05 0.27 -0.16 0.93 -3.45 0.00 0.00 179.45 176.99 3dfy h GLU 146 N -0.07 -0.43 -0.34 1.90 5.08 0.09 -2.18 114.58 118.62 3dfy h GLU 146 Ca 0.02 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3dfy h GLU 146 Cb 0.21 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3dfy h GLU 146 CO -0.00 -0.28 -0.08 0.00 -1.00 0.00 0.00 179.01 177.65 3dfy h ALA 147 N 0.21 0.23 -0.52 3.43 0.00 -0.72 0.31 119.26 122.20 3dfy h ALA 147 Ca -0.05 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3dfy h ALA 147 Cb 0.35 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3dfy h ALA 147 CO 0.08 -0.46 0.18 -0.22 0.00 0.00 0.00 179.25 178.83 3dfy h LYS 148 N 0.01 0.35 -0.45 0.00 3.64 -0.73 0.26 116.57 119.64 3dfy h LYS 148 Ca 0.17 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3dfy h LYS 148 Cb 0.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3dfy h LYS 148 CO -0.35 0.23 0.13 -0.22 -2.27 0.00 0.00 179.45 176.97 3dfy h LYS 149 N 0.36 0.72 -0.34 1.90 3.64 -0.70 -1.74 116.57 120.39 3dfy h LYS 149 Ca 0.26 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3dfy h LYS 149 Cb 0.29 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3dfy h LYS 149 CO -0.26 0.70 0.18 0.82 -2.27 0.00 0.00 179.45 178.61 3dfy h ILE 150 N 0.60 1.15 -0.13 2.00 2.04 -0.41 -1.49 117.51 121.27 3dfy h ILE 150 Ca 0.14 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3dfy h ILE 150 Cb 0.29 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3dfy h ILE 150 CO -0.00 0.15 -0.03 0.15 0.00 0.00 0.00 178.15 178.42 3dfy h PHE 151 N 0.42 0.19 0.00 1.37 3.57 -0.87 -1.40 116.94 120.22 3dfy h PHE 151 Ca 0.12 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3dfy h PHE 151 Cb 0.09 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3dfy h PHE 151 CO -0.02 0.23 -0.49 1.49 -2.23 0.00 0.00 178.31 177.29 3dfy h GLU 152 N 0.18 0.00 -0.00 1.11 4.81 -0.59 -2.73 114.58 117.36 3dfy h GLU 152 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3dfy h GLU 152 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3dfy h GLU 152 CO 0.01 0.49 -0.00 0.39 -0.73 0.00 0.00 179.01 179.17 3dfy n GLU 153 N -3.88 0.92 0.00 1.92 1.02 -0.54 -4.89 120.64 115.20 3dfy n GLU 153 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3dfy n GLU 153 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 1.05 0.47 3.72 0.62 0.00 -1.03 -4.73 105.19 105.29 3dfy n GLY 154 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3dfy n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfy s PHE 155 N -2.02 3.08 -0.64 1.61 0.08 -1.15 -4.83 117.98 114.11 3dfy s PHE 155 Ca 0.00 0.68 0.06 0.00 0.12 0.00 0.00 56.93 57.79 3dfy s PHE 155 Cb 0.00 -3.90 0.14 0.00 -0.57 0.00 0.00 43.02 38.69 3dfy s PHE 155 CO 0.00 -3.28 1.01 0.54 -0.10 0.00 0.00 175.22 173.39 3dfy n ARG 156 N 3.90 1.96 -3.75 0.44 5.12 -1.26 -4.43 116.66 118.64 3dfy n ARG 156 Ca 0.13 -1.53 -0.25 0.00 -1.93 0.00 0.00 57.85 54.27 3dfy n ARG 156 Cb 0.39 -1.15 -0.17 0.00 -1.16 0.00 0.00 32.46 30.37 3dfy n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dfy s VAL 157 N -0.86 0.42 -0.14 1.55 1.01 -1.26 0.82 120.40 121.94 3dfy s VAL 157 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3dfy s VAL 157 Cb 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3dfy s VAL 157 CO 0.09 0.04 -0.19 -0.63 0.00 0.00 0.00 175.10 174.40 3dfy s ILE 158 N 1.93 2.33 -0.21 2.22 1.01 -0.14 -2.85 121.20 125.49 3dfy s ILE 158 Ca 0.02 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.60 3dfy s ILE 158 Cb -0.14 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3dfy s ILE 158 CO -0.07 0.54 0.49 -0.75 0.00 0.00 0.00 174.94 175.15 3dfy s LYS 159 N 0.73 4.17 -0.21 2.79 2.20 -0.49 -1.76 119.74 127.17 3dfy s LYS 159 Ca -0.08 0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.83 3dfy s LYS 159 Cb -0.16 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3dfy s LYS 159 CO 0.01 -0.14 -0.00 0.42 -0.36 0.00 0.00 175.35 175.27 3dfy s ILE 160 N 1.62 3.80 -0.02 5.43 1.01 0.29 -0.21 121.20 133.12 3dfy s ILE 160 Ca 0.22 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 3dfy s ILE 160 Cb -0.15 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 3dfy s ILE 160 CO 0.09 0.41 0.66 -0.54 0.00 0.00 0.00 174.94 175.56 3dfy s LYS 161 N 1.25 4.39 0.01 2.79 1.02 -0.81 -1.17 119.74 127.22 3dfy s LYS 161 Ca 0.03 0.83 0.00 0.00 0.02 0.00 0.00 55.97 56.86 3dfy s LYS 161 Cb -0.15 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3dfy s LYS 161 CO 0.01 0.25 0.01 1.33 -0.92 0.00 0.00 175.35 176.02 3dfy n VAL 162 N 3.11 0.00 0.00 3.17 0.24 -0.47 -4.46 118.33 119.92 3dfy n VAL 162 Ca -0.04 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3dfy n VAL 162 Cb 0.51 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.02 1.82 0.05 7.63 0.00 -1.26 -4.07 105.19 109.34 3dfy n GLY 163 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.66 -3.33 1.61 1.02 -1.26 -4.27 120.64 115.07 3dfy n GLU 164 Ca 0.00 -0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 3dfy n GLU 164 Cb 0.00 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.79 3dfy n GLU 164 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dfy s ASN 165 N -5.02 0.68 0.18 1.62 3.84 -1.26 -5.06 114.94 109.92 3dfy s ASN 165 Ca -0.08 -0.96 -0.25 0.00 0.21 0.00 0.00 52.86 51.79 3dfy s ASN 165 Cb 0.11 0.90 0.06 0.00 -0.55 0.00 0.00 41.25 41.76 3dfy s ASN 165 CO 0.87 -0.30 1.56 0.25 -2.79 0.00 0.00 177.10 176.69 3dfy h LEU 166 N 7.61 -1.55 -0.50 3.21 5.85 -1.98 0.54 115.31 128.50 3dfy h LEU 166 Ca -0.02 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3dfy h LEU 166 Cb 1.09 0.72 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 3dfy h LEU 166 CO 0.23 -0.31 0.33 0.50 -0.34 0.00 0.00 178.44 178.85 3dfy h LYS 167 N -0.16 0.65 -0.18 1.25 3.64 -2.00 -1.43 116.57 118.34 3dfy h LYS 167 Ca 0.21 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 3dfy h LYS 167 Cb 0.55 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3dfy h LYS 167 CO -0.77 0.43 -0.41 0.93 -2.27 0.00 0.00 179.45 177.36 3dfy h GLU 168 N 0.67 0.43 -0.67 1.90 5.08 -1.77 -2.38 114.58 117.84 3dfy h GLU 168 Ca 0.18 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3dfy h GLU 168 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3dfy h GLU 168 CO -0.04 0.77 0.14 -0.44 -1.00 0.00 0.00 179.01 178.45 3dfy h ASP 169 N 0.36 1.04 -0.48 1.42 3.32 0.41 0.16 116.42 122.65 3dfy h ASP 169 Ca 0.03 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3dfy h ASP 169 Cb 0.88 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3dfy h ASP 169 CO 0.07 1.02 0.18 0.40 -1.72 0.00 0.00 179.24 179.19 3dfy h ILE 170 N 1.02 1.22 -0.41 0.35 2.04 -1.14 -1.60 117.51 118.99 3dfy h ILE 170 Ca 0.21 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3dfy h ILE 170 Cb 0.40 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3dfy h ILE 170 CO 0.01 0.25 0.20 -0.08 0.00 0.00 0.00 178.15 178.54 3dfy h GLU 171 N 0.63 0.58 -0.37 2.37 4.81 -1.13 -2.17 114.58 119.30 3dfy h GLU 171 Ca 0.16 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3dfy h GLU 171 Cb 0.22 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 3dfy h GLU 171 CO -0.01 0.50 0.10 0.00 -0.73 0.00 0.00 179.01 178.86 3dfy h ALA 172 N 1.05 0.41 -0.63 2.92 0.00 -0.42 -1.27 119.26 121.34 3dfy h ALA 172 Ca 0.14 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dfy h ALA 172 Cb 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3dfy h ALA 172 CO -0.02 -0.30 0.23 0.28 0.00 0.00 0.00 179.25 179.44 3dfy h VAL 173 N 0.23 1.24 -0.24 0.00 2.07 -1.12 -0.62 116.25 117.82 3dfy h VAL 173 Ca 0.17 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3dfy h VAL 173 Cb 0.18 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3dfy h VAL 173 CO -0.21 0.30 -0.18 -0.08 0.02 0.00 0.00 177.57 177.42 3dfy h GLU 174 N 0.88 0.42 -0.04 1.57 4.81 -1.03 -1.09 114.58 120.10 3dfy h GLU 174 Ca 0.21 -0.13 -0.24 0.00 -0.13 0.00 0.00 59.36 59.07 3dfy h GLU 174 Cb 0.23 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3dfy h GLU 174 CO -0.01 0.59 -0.93 0.93 -0.73 0.00 0.00 179.01 178.86 3dfy h GLU 175 N 0.38 0.61 -0.49 1.92 4.39 -0.95 -2.70 114.58 117.75 3dfy h GLU 175 Ca 0.07 -0.60 -0.10 0.00 0.34 0.00 0.00 59.36 59.06 3dfy h GLU 175 Cb 0.54 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3dfy h GLU 175 CO 0.04 1.21 -0.11 0.82 -1.16 0.00 0.00 179.01 179.81 3dfy h ILE 176 N 0.37 1.26 -0.67 3.13 2.04 -0.95 -2.71 117.51 119.98 3dfy h ILE 176 Ca -0.09 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 3dfy h ILE 176 Cb 1.56 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3dfy h ILE 176 CO 0.18 0.42 0.26 0.00 0.00 0.00 0.00 178.15 179.01 3dfy h ALA 177 N 1.07 1.20 -0.69 1.87 0.00 -1.19 -2.70 119.26 118.81 3dfy h ALA 177 Ca 0.13 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3dfy h ALA 177 Cb 0.63 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3dfy h ALA 177 CO 0.04 0.58 0.36 0.87 0.00 0.00 0.00 179.25 181.10 3dfy h LYS 178 N 0.97 0.61 -0.84 0.00 1.79 -1.15 -2.80 116.57 115.15 3dfy h LYS 178 Ca 0.23 -0.04 -0.39 0.00 -2.18 0.00 0.00 60.65 58.26 3dfy h LYS 178 Cb 0.20 -0.14 -0.23 0.00 -1.58 0.00 0.00 32.23 30.47 3dfy h LYS 178 CO -0.02 0.40 0.46 1.33 -1.08 0.00 0.00 179.45 180.54 3dfy n VAL 179 N -4.84 3.04 -2.40 0.50 0.24 -1.04 -4.40 118.33 109.43 3dfy n VAL 179 Ca 0.10 -1.97 -0.02 0.00 -2.04 0.00 0.00 64.34 60.41 3dfy n VAL 179 Cb 0.24 -0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.20 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 -0.90 0.19 -1.67 3.34 -2.24 -1.06 -4.63 114.28 107.32 3dfy n THR 180 Ca 0.51 -0.92 -0.46 0.00 -2.27 0.00 0.00 64.05 60.91 3dfy n THR 180 Cb 1.51 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 70.56 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 -0.30 2.19 0.00 -0.78 1.74 -1.22 -1.61 116.66 116.69 3dfy n ARG 181 Ca -0.12 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 3dfy n ARG 181 Cb 0.87 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 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 3.59 0.62 3.91 -0.13 0.00 -1.26 -5.09 105.19 106.84 3dfy n GLY 182 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.91 0.16 4.61 0.00 -0.63 -4.95 121.76 122.86 3dfy s ALA 183 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.95 3dfy s ALA 183 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 3dfy s ALA 183 CO 0.00 0.60 0.32 0.15 0.00 0.00 0.00 175.76 176.83 3dfy s LYS 184 N -3.04 3.47 -0.06 0.00 1.02 0.24 -4.96 119.74 116.41 3dfy s LYS 184 Ca 0.34 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.90 3dfy s LYS 184 Cb -0.11 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 3dfy s LYS 184 CO 0.27 0.48 -0.22 0.71 -0.92 0.00 0.00 175.35 175.67 3dfy s TYR 185 N -1.77 2.23 -0.16 3.18 2.02 -1.26 -0.97 117.35 120.63 3dfy s TYR 185 Ca 0.36 -0.70 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 3dfy s TYR 185 Cb -0.11 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 3dfy s TYR 185 CO 0.29 -0.23 -0.20 0.42 -1.57 0.00 0.00 175.55 174.25 3dfy s ILE 186 N -0.02 2.13 -0.17 2.71 1.01 -0.72 -0.07 121.20 126.07 3dfy s ILE 186 Ca -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3dfy s ILE 186 Cb -0.14 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3dfy s ILE 186 CO 0.04 0.54 -0.07 -0.69 0.00 0.00 0.00 174.94 174.76 3dfy s VAL 187 N 1.00 3.42 -0.28 2.92 1.01 -0.39 0.11 120.40 128.18 3dfy s VAL 187 Ca -0.02 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3dfy s VAL 187 Cb -0.15 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.80 3dfy s VAL 187 CO -0.06 0.48 -0.06 -0.62 0.00 0.00 0.00 175.10 174.84 3dfy s ASP 188 N 0.72 4.61 0.00 3.32 -1.08 -0.32 0.00 116.67 123.92 3dfy s ASP 188 Ca -0.03 -1.41 0.28 0.00 -0.52 0.00 0.00 52.55 50.87 3dfy s ASP 188 Cb -0.15 -1.61 1.10 0.00 -1.46 0.00 0.00 42.92 40.81 3dfy s ASP 188 CO 0.02 -0.23 1.79 0.00 0.52 0.00 0.00 175.17 177.27 3dfy n ALA 189 N 4.48 2.83 -4.11 3.66 0.00 -1.04 -1.37 120.51 124.96 3dfy n ALA 189 Ca -0.13 -0.26 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 3dfy n ALA 189 Cb 0.42 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.07 -0.02 -0.53 0.00 4.13 -1.20 -1.56 115.26 115.00 3dfy n ASN 190 Ca 0.12 -1.11 -0.07 0.00 1.68 0.00 0.00 54.58 55.20 3dfy n ASN 190 Cb 0.30 -2.47 -0.03 0.00 -1.54 0.00 0.00 39.78 36.04 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 -4.46 -1.55 0.08 3.52 2.81 0.08 -4.88 117.12 112.73 3dfy n MET 191 Ca -0.29 0.70 0.13 0.00 -1.81 0.00 0.00 57.70 56.43 3dfy n MET 191 Cb 0.68 -4.99 0.45 0.00 -0.71 0.00 0.00 33.22 28.65 3dfy n MET 191 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dfy n GLY 192 N -0.01 -1.66 3.88 3.03 0.00 -0.60 -4.01 105.19 105.81 3dfy n GLY 192 Ca -0.07 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3dfy n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dfy s TYR 193 N -3.08 3.37 0.76 1.61 2.02 -0.39 -4.82 117.35 116.82 3dfy s TYR 193 Ca 0.11 0.10 -0.09 0.00 -0.37 0.00 0.00 57.07 56.82 3dfy s TYR 193 Cb 0.14 -1.63 0.08 0.00 -0.40 0.00 0.00 41.96 40.14 3dfy s TYR 193 CO 0.58 0.53 1.10 0.95 -1.57 0.00 0.00 175.55 177.14 3dfy s THR 194 N -1.67 2.14 0.20 -0.71 -4.23 -1.26 -4.12 115.64 105.99 3dfy s THR 194 Ca 0.33 -0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.59 3dfy s THR 194 Cb -0.11 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 70.86 3dfy s THR 194 CO 0.26 0.00 1.83 1.56 -0.54 0.00 0.00 174.62 177.74 3dfy h GLN 195 N -0.84 0.75 -0.48 3.99 4.20 -1.94 -0.61 115.11 120.19 3dfy h GLN 195 Ca -0.45 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.09 3dfy h GLN 195 Cb 1.32 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3dfy h GLN 195 CO 0.62 0.50 -0.21 0.87 -0.67 0.00 0.00 178.83 179.94 3dfy h LYS 196 N 0.78 0.97 -0.53 1.46 1.79 -1.99 -2.29 116.57 116.75 3dfy h LYS 196 Ca 0.27 -0.41 -0.06 0.00 -2.18 0.00 0.00 60.65 58.27 3dfy h LYS 196 Cb 0.06 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3dfy h LYS 196 CO -0.12 1.08 0.10 0.93 -1.08 0.00 0.00 179.45 180.35 3dfy h GLU 197 N 0.84 0.87 -0.89 3.15 5.08 -1.88 -0.61 114.58 121.15 3dfy h GLU 197 Ca 0.11 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3dfy h GLU 197 Cb 0.78 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 3dfy h GLU 197 CO 0.06 0.84 0.54 0.00 -1.00 0.00 0.00 179.01 179.46 3dfy h ALA 198 N 0.99 1.28 -0.10 3.43 0.00 -0.97 0.11 119.26 124.00 3dfy h ALA 198 Ca 0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dfy h ALA 198 Cb 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dfy h ALA 198 CO 0.01 0.62 -0.19 0.28 0.00 0.00 0.00 179.25 179.97 3dfy h VAL 199 N 1.22 1.39 -0.90 0.00 2.07 -1.25 -2.88 116.25 115.91 3dfy h VAL 199 Ca 0.32 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.41 3dfy h VAL 199 Cb -0.06 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 3dfy h VAL 199 CO -0.06 0.42 0.57 -0.08 0.02 0.00 0.00 177.57 178.44 3dfy h GLU 200 N -0.13 1.05 0.08 1.57 4.57 -0.72 -0.32 114.58 120.68 3dfy h GLU 200 Ca 0.00 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3dfy h GLU 200 Cb 0.78 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 3dfy h GLU 200 CO 0.04 0.70 -0.18 0.35 -1.18 0.00 0.00 179.01 178.74 3dfy h PHE 201 N 1.08 -0.46 -0.93 0.92 3.57 -0.76 0.74 116.94 121.11 3dfy h PHE 201 Ca 0.37 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.89 3dfy h PHE 201 Cb 0.07 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3dfy h PHE 201 CO -0.02 -0.26 0.62 0.00 -2.23 0.00 0.00 178.31 176.42 3dfy h ALA 202 N 0.53 1.34 -0.34 2.41 0.00 -1.21 -2.00 119.26 119.99 3dfy h ALA 202 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3dfy h ALA 202 Cb 0.36 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dfy h ALA 202 CO -0.11 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 3dfy h ARG 203 N 1.26 0.64 0.03 0.00 3.08 -0.67 -1.76 114.38 116.96 3dfy h ARG 203 Ca 0.34 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3dfy h ARG 203 Cb -0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3dfy h ARG 203 CO -0.08 0.81 -0.05 0.00 -1.07 0.00 0.00 179.97 179.58 3dfy h ALA 204 N 0.81 -0.08 -0.80 0.04 0.00 -0.52 0.63 119.26 119.34 3dfy h ALA 204 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3dfy h ALA 204 Cb 0.57 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3dfy h ALA 204 CO 0.03 -0.56 0.34 0.28 0.00 0.00 0.00 179.25 179.34 3dfy h VAL 205 N -0.11 1.26 -0.80 0.00 2.07 -1.40 -2.04 116.25 115.23 3dfy h VAL 205 Ca 0.01 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3dfy h VAL 205 Cb 0.12 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 3dfy h VAL 205 CO -0.03 0.33 0.36 0.22 0.02 0.00 0.00 177.57 178.47 3dfy h TYR 206 N 1.16 1.18 -0.25 1.57 3.20 -1.05 -1.97 116.97 120.80 3dfy h TYR 206 Ca 0.27 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3dfy h TYR 206 Cb 0.19 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3dfy h TYR 206 CO 0.02 0.87 0.17 1.96 -1.64 0.00 0.00 178.16 179.54 3dfy h GLN 207 N 1.15 0.33 -0.63 1.82 1.08 -0.19 -1.39 115.11 117.27 3dfy h GLN 207 Ca 0.27 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 3dfy h GLN 207 Cb 0.16 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3dfy h GLN 207 CO -0.03 0.22 0.00 1.63 -0.95 0.00 0.00 178.83 179.70 3dfy n LYS 208 N -4.50 1.58 -1.07 1.46 5.02 -0.78 -4.85 118.16 115.03 3dfy n LYS 208 Ca 0.01 -0.56 -0.02 0.00 -2.02 0.00 0.00 58.31 55.72 3dfy n LYS 208 Cb 0.08 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.34 0.34 3.86 0.72 0.00 -0.52 -4.98 105.19 104.96 3dfy n GLY 209 Ca 0.05 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.46 4.88 -0.06 -0.61 1.01 -1.00 -5.04 121.20 118.93 3dfy s ILE 210 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 60.65 61.32 3dfy s ILE 210 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3dfy s ILE 210 CO 0.00 0.01 -0.20 -0.62 0.00 0.00 0.00 174.94 174.13 3dfy s ASP 211 N -2.16 3.51 -0.25 3.58 2.15 -1.26 -4.21 116.67 118.03 3dfy s ASP 211 Ca 0.45 -0.38 -0.01 0.00 0.43 0.00 0.00 52.55 53.04 3dfy s ASP 211 Cb -0.12 -0.91 0.03 0.00 -0.30 0.00 0.00 42.92 41.62 3dfy s ASP 211 CO 0.20 0.27 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.78 3dfy s ILE 212 N -0.31 2.82 0.11 4.11 1.01 -1.26 -4.29 121.20 123.39 3dfy s ILE 212 Ca 0.01 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.36 3dfy s ILE 212 Cb -0.13 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 3dfy s ILE 212 CO 0.02 0.16 1.70 0.00 0.00 0.00 0.00 174.94 176.82 3dfy h ALA 213 N 7.99 0.28 -3.35 9.38 0.00 -0.87 -3.39 119.26 129.30 3dfy h ALA 213 Ca -0.31 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.16 3dfy h ALA 213 Cb 1.10 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 18.42 3dfy h ALA 213 CO 0.56 -0.18 -0.75 0.08 0.00 0.00 0.00 179.25 178.97 3dfy s VAL 214 N -5.82 0.03 -0.66 0.00 1.01 -1.21 -4.31 120.40 109.44 3dfy s VAL 214 Ca -0.13 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 3dfy s VAL 214 Cb 0.08 -0.23 0.17 0.00 0.00 0.00 0.00 36.38 36.40 3dfy s VAL 214 CO 0.70 0.18 0.58 -0.47 0.00 0.00 0.00 175.10 176.10 3dfy s TYR 215 N 1.86 3.52 0.02 5.22 5.04 0.47 -1.27 117.35 132.22 3dfy s TYR 215 Ca 0.02 -1.86 -0.30 0.00 -2.44 0.00 0.00 57.07 52.48 3dfy s TYR 215 Cb -0.12 -3.69 -0.04 0.00 0.35 0.00 0.00 41.96 38.46 3dfy s TYR 215 CO -0.03 -0.98 1.01 -2.00 -1.34 0.00 0.00 175.55 172.20 3dfy s GLU 216 N 0.74 4.56 -0.09 4.97 2.12 0.10 -1.34 118.70 129.75 3dfy s GLU 216 Ca 0.12 1.47 -0.01 0.00 0.36 0.00 0.00 54.97 56.91 3dfy s GLU 216 Cb -0.20 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3dfy s GLU 216 CO -0.04 -0.05 0.08 0.94 -0.54 0.00 0.00 175.26 175.65 3dfy n GLN 217 N 3.78 -0.20 0.13 4.30 -0.06 0.74 -2.49 117.38 123.58 3dfy n GLN 217 Ca 0.06 0.11 -0.02 0.00 -2.00 0.00 0.00 57.00 55.15 3dfy n GLN 217 Cb 0.50 -0.27 0.16 0.00 -4.06 0.00 0.00 30.24 26.58 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 0.71 0.02 -6.05 3.69 0.13 -1.83 0.28 132.00 128.95 3dfy h PRO 218 Ca -0.08 -0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.51 3dfy h PRO 218 Cb 0.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.26 3dfy h PRO 218 CO 0.04 0.64 -0.38 0.14 -0.23 0.00 0.00 178.00 178.21 3dfy s VAL 219 N -3.60 2.28 0.71 1.56 -7.23 -1.26 -1.26 120.40 111.61 3dfy s VAL 219 Ca -0.01 -1.46 -0.16 0.00 -1.81 0.00 0.00 61.98 58.53 3dfy s VAL 219 Cb 0.13 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3dfy s VAL 219 CO 0.77 0.00 0.96 0.54 -0.31 0.00 0.00 175.10 177.06 3dfy n ARG 220 N -1.55 0.54 0.08 4.82 1.74 -1.26 -4.17 116.66 116.87 3dfy n ARG 220 Ca 0.01 0.24 0.05 0.00 -0.77 0.00 0.00 57.85 57.38 3dfy n ARG 220 Cb 0.63 -2.22 0.48 0.00 -1.02 0.00 0.00 32.46 30.33 3dfy n ARG 220 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3dfy h ARG 221 N -0.19 0.36 0.00 5.56 0.11 -1.92 -2.35 114.38 115.94 3dfy h ARG 221 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3dfy h ARG 221 Cb 1.34 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3dfy h ARG 221 CO 0.47 0.27 -0.19 0.39 0.10 0.00 0.00 179.97 181.01 3dfy n GLU 222 N -4.46 0.17 -2.30 0.08 -0.58 -1.26 -4.50 120.64 107.78 3dfy n GLU 222 Ca 0.01 0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 3dfy n GLU 222 Cb 0.10 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 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 -1.95 4.84 -0.01 1.62 2.03 -0.89 -4.70 116.55 117.49 3dfy n ASP 223 Ca 0.05 -3.02 -0.03 0.00 0.52 0.00 0.00 54.79 52.31 3dfy n ASP 223 Cb 0.40 -1.54 0.20 0.00 -0.72 0.00 0.00 41.12 39.46 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 4.02 1.25 -0.30 5.18 1.08 -1.83 -1.46 117.51 125.45 3dfy h ILE 224 Ca 0.43 -1.18 -0.08 0.00 -0.39 0.00 0.00 64.86 63.64 3dfy h ILE 224 Cb 0.68 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 3dfy h ILE 224 CO 1.62 0.38 -0.16 -0.08 -0.69 0.00 0.00 178.15 179.22 3dfy h GLU 225 N 0.49 0.54 -0.37 2.37 4.57 -1.98 -1.51 114.58 118.68 3dfy h GLU 225 Ca 0.08 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 3dfy h GLU 225 Cb 0.60 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3dfy h GLU 225 CO 0.04 0.68 -0.12 0.78 -1.18 0.00 0.00 179.01 179.22 3dfy h GLY 226 N 0.96 0.80 0.52 1.92 0.00 -1.76 -0.21 103.07 105.30 3dfy h GLY 226 Ca 0.08 -0.68 0.06 0.00 0.00 0.00 0.00 47.33 46.80 3dfy h GLY 226 CO 0.04 0.62 0.12 1.41 0.00 0.00 0.00 176.54 178.72 3dfy h LEU 227 N 0.53 0.07 -0.57 3.11 3.38 -0.93 0.16 115.31 121.06 3dfy h LEU 227 Ca 0.09 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3dfy h LEU 227 Cb 0.64 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3dfy h LEU 227 CO 0.04 0.07 0.37 0.50 0.09 0.00 0.00 178.44 179.51 3dfy h LYS 228 N 0.26 0.73 -0.35 1.13 3.64 -1.02 0.19 116.57 121.14 3dfy h LYS 228 Ca 0.21 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3dfy h LYS 228 Cb 0.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3dfy h LYS 228 CO -0.25 0.48 0.21 0.35 -2.27 0.00 0.00 179.45 177.97 3dfy h PHE 229 N 0.75 0.47 -0.55 1.91 3.57 -0.01 -0.85 116.94 122.22 3dfy h PHE 229 Ca 0.22 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 3dfy h PHE 229 Cb -0.06 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3dfy h PHE 229 CO -0.04 0.34 -0.02 0.28 -2.23 0.00 0.00 178.31 176.64 3dfy h VAL 230 N 0.45 1.26 -0.82 1.41 2.07 -0.38 -2.64 116.25 117.61 3dfy h VAL 230 Ca 0.13 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.58 3dfy h VAL 230 Cb 0.01 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3dfy h VAL 230 CO -0.02 0.40 0.51 -0.09 0.02 0.00 0.00 177.57 178.38 3dfy h ARG 231 N 0.87 0.92 -0.45 1.57 2.43 -0.16 0.18 114.38 119.74 3dfy h ARG 231 Ca 0.16 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3dfy h ARG 231 Cb 0.54 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3dfy h ARG 231 CO 0.03 0.61 0.10 0.35 -1.51 0.00 0.00 179.97 179.54 3dfy h PHE 232 N 0.94 0.78 0.00 2.20 3.57 -0.82 -3.29 116.94 120.33 3dfy h PHE 232 Ca 0.35 -0.10 -0.17 0.00 3.53 0.00 0.00 57.97 61.58 3dfy h PHE 232 Cb 0.12 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3dfy h PHE 232 CO -0.04 0.72 -1.24 0.45 -2.23 0.00 0.00 178.31 175.97 3dfy h HIS 233 N 0.61 0.00 -3.04 0.41 3.86 -1.31 -3.46 115.15 112.22 3dfy h HIS 233 Ca 0.14 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.81 3dfy h HIS 233 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 3dfy h HIS 233 CO 0.02 0.63 0.71 0.45 0.86 0.00 0.00 177.93 180.60 3dfy s SER 234 N -6.00 6.94 0.11 2.45 0.15 0.63 -4.89 113.70 113.09 3dfy s SER 234 Ca -0.02 2.09 0.25 0.00 0.70 0.00 0.00 55.95 58.98 3dfy s SER 234 Cb 0.08 -2.57 0.96 0.00 -1.71 0.00 0.00 66.02 62.79 3dfy s SER 234 CO 0.80 -0.61 1.78 -0.81 1.20 0.00 0.00 173.24 175.60 3dfy n PRO 235 N 4.60 0.12 -4.03 5.44 -0.04 -1.26 -4.76 135.00 135.07 3dfy n PRO 235 Ca 0.11 0.17 -0.31 0.00 -0.04 0.00 0.00 63.50 63.43 3dfy n PRO 235 Cb 0.44 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 -3.08 3.31 0.24 0.54 0.08 -1.26 -5.06 117.98 112.74 3dfy s PHE 236 Ca 0.10 0.17 -0.31 0.00 0.12 0.00 0.00 56.93 57.01 3dfy s PHE 236 Cb 0.14 -1.70 -0.12 0.00 -0.57 0.00 0.00 43.02 40.77 3dfy s PHE 236 CO 0.50 0.55 1.69 -2.14 -0.10 0.00 0.00 175.22 175.72 3dfy s PRO 237 N -2.19 4.12 -0.13 0.24 0.02 -1.26 -4.81 135.00 130.99 3dfy s PRO 237 Ca 0.28 2.61 -0.09 0.00 0.02 0.00 0.00 61.00 63.82 3dfy s PRO 237 Cb -0.12 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 3dfy s PRO 237 CO 0.21 -0.72 0.18 0.08 -0.33 0.00 0.00 177.00 176.42 3dfy s VAL 238 N 0.82 5.41 0.04 3.83 1.01 -1.26 -0.39 120.40 129.86 3dfy s VAL 238 Ca 0.71 0.31 0.09 0.00 0.00 0.00 0.00 61.98 63.09 3dfy s VAL 238 Cb -0.49 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3dfy s VAL 238 CO 0.37 0.55 -0.24 0.00 0.00 0.00 0.00 175.10 175.77 3dfy s ALA 239 N -0.52 2.34 -0.14 5.51 0.00 -0.45 -1.05 121.76 127.44 3dfy s ALA 239 Ca 0.14 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 3dfy s ALA 239 Cb -0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3dfy s ALA 239 CO 0.03 0.54 0.24 0.00 0.00 0.00 0.00 175.76 176.58 3dfy s ALA 240 N -0.83 3.68 0.00 0.00 0.00 -0.05 -0.19 121.76 124.38 3dfy s ALA 240 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3dfy s ALA 240 Cb -0.10 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.76 3dfy s ALA 240 CO 0.03 0.26 0.00 -3.47 0.00 0.00 0.00 175.76 172.57 3dfy n ASP 241 N 3.03 0.00 -0.04 0.00 -0.08 -1.26 -0.42 116.55 117.78 3dfy n ASP 241 Ca -0.15 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.32 3dfy n ASP 241 Cb 0.53 0.00 0.64 0.00 2.34 0.00 0.00 41.12 44.63 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 0.11 0.00 -0.67 3.07 -1.93 0.24 114.58 115.39 3dfy h GLU 242 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dfy h GLU 242 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3dfy h GLU 242 CO 0.00 0.07 0.00 0.43 -1.40 0.00 0.00 179.01 178.11 3dfy n SER 243 N -4.40 0.00 -3.85 1.42 7.64 -1.26 -4.41 113.62 108.75 3dfy n SER 243 Ca 0.11 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.86 3dfy n SER 243 Cb 0.59 -0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 63.28 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 -2.76 3.11 -0.20 -0.43 0.00 0.85 -4.75 121.76 117.58 3dfy s ALA 244 Ca 0.20 -3.26 -0.02 0.00 0.00 0.00 0.00 51.96 48.88 3dfy s ALA 244 Cb 0.18 -2.07 -0.12 0.00 0.00 0.00 0.00 23.12 21.11 3dfy s ALA 244 CO 0.44 -2.05 -0.20 0.54 0.00 0.00 0.00 175.76 174.49 3dfy n ARG 245 N 2.82 0.47 -4.07 0.00 1.74 -1.26 -4.83 116.66 111.53 3dfy n ARG 245 Ca 0.12 0.13 -0.24 0.00 -0.77 0.00 0.00 57.85 57.10 3dfy n ARG 245 Cb 0.34 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.38 2.56 0.42 0.55 -4.23 -1.26 -3.15 115.64 108.15 3dfy s THR 246 Ca -0.27 -1.67 0.19 0.00 -1.18 0.00 0.00 61.69 58.76 3dfy s THR 246 Cb 0.08 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 71.15 3dfy s THR 246 CO 0.42 -0.06 1.99 0.07 -0.54 0.00 0.00 174.62 176.50 3dfy h LYS 247 N 1.44 0.00 -0.20 3.99 2.10 -1.94 -1.83 116.57 120.13 3dfy h LYS 247 Ca -0.43 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.05 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 0.66 0.19 -0.57 0.74 -2.00 0.00 0.00 179.45 178.47 3dfy h PHE 248 N 0.00 0.81 -0.56 0.07 0.04 -1.96 -1.48 116.94 113.85 3dfy h PHE 248 Ca -0.00 -0.29 -0.02 0.00 2.80 0.00 0.00 57.97 60.46 3dfy h PHE 248 Cb 0.38 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3dfy h PHE 248 CO 0.00 1.06 0.29 -0.44 -0.60 0.00 0.00 178.31 178.62 3dfy h ASP 249 N 0.48 0.72 -0.54 2.17 3.32 -1.69 -2.30 116.42 118.59 3dfy h ASP 249 Ca 0.00 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 3dfy h ASP 249 Cb 1.14 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3dfy h ASP 249 CO 0.11 0.63 -0.03 0.58 -1.72 0.00 0.00 179.24 178.81 3dfy h VAL 250 N 0.76 1.26 0.00 -1.35 2.07 -1.29 -0.58 116.25 117.12 3dfy h VAL 250 Ca 0.20 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3dfy h VAL 250 Cb 0.08 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3dfy h VAL 250 CO -0.03 0.42 -0.15 -0.03 0.02 0.00 0.00 177.57 177.80 3dfy h MET 251 N 0.91 0.00 -0.05 1.57 1.85 -1.05 0.51 114.93 118.67 3dfy h MET 251 Ca 0.16 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.16 3dfy h MET 251 Cb 0.57 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.60 3dfy h MET 251 CO 0.03 0.15 -0.32 -0.09 -0.40 0.00 0.00 176.91 176.28 3dfy h ARG 252 N 0.00 0.30 -0.79 0.39 2.43 -0.81 -1.28 114.38 114.63 3dfy h ARG 252 Ca -0.00 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3dfy h ARG 252 Cb 0.26 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 3dfy h ARG 252 CO 0.02 0.92 0.48 -0.07 -1.51 0.00 0.00 179.97 179.80 3dfy h LEU 253 N -0.23 0.74 -0.07 3.80 3.38 -0.50 0.90 115.31 123.33 3dfy h LEU 253 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dfy h LEU 253 Cb 0.99 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3dfy h LEU 253 CO 0.07 0.47 0.02 0.58 0.09 0.00 0.00 178.44 179.67 3dfy h VAL 254 N 0.87 1.16 -0.93 1.22 2.07 -0.89 -0.21 116.25 119.54 3dfy h VAL 254 Ca 0.35 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3dfy h VAL 254 Cb 0.18 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3dfy h VAL 254 CO -0.18 0.14 0.61 0.11 0.02 0.00 0.00 177.57 178.28 3dfy h LYS 255 N -0.07 1.13 -0.00 1.57 1.57 -0.71 -0.80 116.57 119.25 3dfy h LYS 255 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dfy h LYS 255 Cb 0.20 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3dfy h LYS 255 CO -0.00 0.74 -0.01 0.39 -0.57 0.00 0.00 179.45 180.01 3dfy n GLU 256 N -4.45 0.35 -3.82 3.15 -0.58 0.26 -4.90 120.64 110.65 3dfy n GLU 256 Ca 0.13 -0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.62 3dfy n GLU 256 Cb 0.12 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.50 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 -1.32 -4.35 0.03 3.49 1.02 -0.18 -4.90 120.64 114.43 3dfy n GLU 257 Ca 0.13 0.54 -0.14 0.00 -0.02 0.00 0.00 57.16 57.67 3dfy n GLU 257 Cb 0.26 -4.98 -0.14 0.00 -0.02 0.00 0.00 31.44 26.57 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 0.87 0.46 -2.31 0.62 0.00 -1.57 -3.46 119.26 113.86 3dfy h ALA 258 Ca -0.61 -1.23 -0.23 0.00 0.00 0.00 0.00 54.91 52.84 3dfy h ALA 258 Cb 1.37 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 19.35 3dfy h ALA 258 CO 0.60 1.31 -0.67 0.14 0.00 0.00 0.00 179.25 180.64 3dfy s VAL 259 N -2.62 0.47 -0.09 0.00 -7.23 -1.26 -3.31 120.40 106.37 3dfy s VAL 259 Ca -0.08 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 3dfy s VAL 259 Cb 0.08 -1.96 -0.24 0.00 0.56 0.00 0.00 36.38 34.81 3dfy s VAL 259 CO 0.83 -0.60 0.48 0.47 -0.31 0.00 0.00 175.10 175.97 3dfy n ASP 260 N -0.13 1.46 -4.29 4.85 8.00 -0.35 -4.95 116.55 121.14 3dfy n ASP 260 Ca -0.08 0.29 -0.19 0.00 0.71 0.00 0.00 54.79 55.52 3dfy n ASP 260 Cb 0.63 -0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 41.21 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 -2.57 1.57 -0.05 1.24 1.51 -0.21 -1.14 117.35 117.69 3dfy s TYR 261 Ca -0.14 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.39 3dfy s TYR 261 Cb 0.07 -0.78 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 3dfy s TYR 261 CO 0.79 0.24 -0.13 0.08 -1.11 0.00 0.00 175.55 175.42 3dfy s VAL 262 N -2.44 1.17 -0.47 0.71 1.01 -0.96 -0.87 120.40 118.54 3dfy s VAL 262 Ca 0.15 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 3dfy s VAL 262 Cb -0.03 -1.04 0.09 0.00 0.00 0.00 0.00 36.38 35.39 3dfy s VAL 262 CO 0.05 0.35 0.38 0.21 0.00 0.00 0.00 175.10 176.08 3dfy s ASN 263 N 0.39 6.00 0.19 3.32 2.47 0.44 -2.32 114.94 125.44 3dfy s ASN 263 Ca -0.09 -1.48 -0.30 0.00 0.42 0.00 0.00 52.86 51.41 3dfy s ASN 263 Cb -0.13 -2.13 -0.08 0.00 -1.45 0.00 0.00 41.25 37.46 3dfy s ASN 263 CO 0.03 -0.66 0.93 -0.63 -3.72 0.00 0.00 177.10 173.06 3dfy s ILE 264 N 1.57 4.23 -0.06 -5.21 1.01 -0.46 -4.68 121.20 117.59 3dfy s ILE 264 Ca 0.04 2.05 -0.00 0.00 0.00 0.00 0.00 60.65 62.74 3dfy s ILE 264 Cb -0.25 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 37.93 3dfy s ILE 264 CO 0.05 0.44 -0.02 -0.54 0.00 0.00 0.00 174.94 174.87 3dfy s LYS 265 N -0.80 0.75 0.47 2.79 1.02 -1.26 -0.56 119.74 122.15 3dfy s LYS 265 Ca 0.42 -0.00 0.14 0.00 0.02 0.00 0.00 55.97 56.55 3dfy s LYS 265 Cb -0.25 -0.94 1.12 0.00 -0.52 0.00 0.00 37.83 37.24 3dfy s LYS 265 CO 0.31 -0.21 2.07 -0.07 -0.92 0.00 0.00 175.35 176.53 3dfy h LEU 266 N 7.82 0.21 -2.32 3.17 3.38 -1.86 0.11 115.31 125.82 3dfy h LEU 266 Ca -0.28 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3dfy h LEU 266 Cb 1.14 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dfy h LEU 266 CO 0.36 0.14 -0.03 0.24 0.09 0.00 0.00 178.44 179.24 3dfy h MET 267 N 0.25 0.00 0.03 1.13 2.86 -1.91 0.36 114.93 117.65 3dfy h MET 267 Ca 0.14 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.42 3dfy h MET 267 Cb 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3dfy h MET 267 CO -0.03 0.03 -2.01 1.63 1.06 0.00 0.00 176.91 177.60 3dfy n LYS 268 N -3.32 0.64 -0.02 1.72 5.02 0.28 -2.92 118.16 119.56 3dfy n LYS 268 Ca -0.02 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.69 3dfy n LYS 268 Cb 0.17 -1.63 -0.16 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.92 0.04 -0.09 4.39 7.64 -0.66 -4.71 113.62 116.30 3dfy n SER 269 Ca -0.40 0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.51 3dfy n SER 269 Cb 0.89 1.79 -0.00 0.00 -1.01 0.00 0.00 64.21 65.87 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 1.32 -1.44 0.15 0.23 0.00 0.13 -3.30 105.19 102.28 3dfy n GLY 270 Ca -0.08 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.08 1.38 0.21 -0.61 1.08 -1.84 -2.80 117.51 114.84 3dfy h ILE 271 Ca 0.00 -1.59 0.01 0.00 -0.39 0.00 0.00 64.86 62.89 3dfy h ILE 271 Cb 0.08 2.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.88 3dfy h ILE 271 CO 0.00 0.47 -0.41 0.77 -0.69 0.00 0.00 178.15 178.29 3dfy h SER 272 N -0.00 -1.18 -0.13 1.72 4.64 -1.94 -0.87 113.55 115.78 3dfy h SER 272 Ca -0.00 0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3dfy h SER 272 Cb 0.90 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3dfy h SER 272 CO 0.06 -0.51 -0.14 0.44 -0.87 0.00 0.00 176.83 175.82 3dfy h ASP 273 N -0.70 0.48 -0.54 4.97 5.19 -1.68 -2.58 116.42 121.56 3dfy h ASP 273 Ca 0.00 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3dfy h ASP 273 Cb 0.69 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 3dfy h ASP 273 CO -0.19 0.65 0.32 0.00 -3.12 0.00 0.00 179.24 176.91 3dfy h ALA 274 N 1.40 0.69 -0.73 3.45 0.00 -1.19 0.13 119.26 123.00 3dfy h ALA 274 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 274 Cb 0.51 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3dfy h ALA 274 CO 0.03 0.18 0.33 -0.07 0.00 0.00 0.00 179.25 179.72 3dfy h LEU 275 N 0.73 0.96 -0.37 0.00 3.38 -0.92 -1.24 115.31 117.84 3dfy h LEU 275 Ca 0.19 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3dfy h LEU 275 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3dfy h LEU 275 CO -0.04 0.82 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 3dfy h ALA 276 N 1.32 0.50 -0.74 1.53 0.00 -1.02 -2.61 119.26 118.24 3dfy h ALA 276 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 276 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dfy h ALA 276 CO -0.03 0.29 0.44 0.82 0.00 0.00 0.00 179.25 180.77 3dfy h ILE 277 N 0.48 1.21 -0.23 0.00 2.04 -0.34 0.50 117.51 121.16 3dfy h ILE 277 Ca 0.10 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3dfy h ILE 277 Cb 0.49 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3dfy h ILE 277 CO 0.02 0.22 0.13 0.58 0.00 0.00 0.00 178.15 179.10 3dfy h VAL 278 N 1.03 1.11 -0.56 1.67 2.07 -1.05 0.67 116.25 121.19 3dfy h VAL 278 Ca 0.27 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3dfy h VAL 278 Cb -0.03 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3dfy h VAL 278 CO -0.05 0.11 0.12 -0.33 0.02 0.00 0.00 177.57 177.44 3dfy h GLU 279 N 0.27 0.90 0.00 1.57 4.39 -1.03 -1.61 114.58 119.06 3dfy h GLU 279 Ca 0.08 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.56 3dfy h GLU 279 Cb 0.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3dfy h GLU 279 CO -0.01 0.85 -0.03 0.82 -1.16 0.00 0.00 179.01 179.47 3dfy h ILE 280 N 0.80 0.91 0.06 3.13 2.04 -0.68 -2.02 117.51 121.75 3dfy h ILE 280 Ca 0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.06 3dfy h ILE 280 Cb 0.36 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3dfy h ILE 280 CO 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.88 3dfy h ALA 281 N 0.93 -0.41 0.00 1.87 0.00 -0.70 -1.78 119.26 119.17 3dfy h ALA 281 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dfy h ALA 281 Cb 0.08 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dfy h ALA 281 CO -0.03 -0.79 0.00 0.39 0.00 0.00 0.00 179.25 178.82 3dfy n GLU 282 N -5.38 0.16 -0.15 0.00 1.02 -0.62 -1.46 120.64 114.19 3dfy n GLU 282 Ca -0.06 0.53 0.11 0.00 -0.02 0.00 0.00 57.16 57.73 3dfy n GLU 282 Cb 0.30 -1.90 0.19 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.21 3.32 -0.41 1.62 7.64 -0.71 -4.52 113.62 118.36 3dfy n SER 283 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 3dfy n SER 283 Cb 0.12 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.40 0.00 -0.30 6.43 3.41 -0.54 -5.01 113.62 119.02 3dfy n SER 284 Ca 0.18 -1.78 -0.04 0.00 -0.26 0.00 0.00 58.87 56.97 3dfy n SER 284 Cb 0.59 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 3dfy n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 285 N 0.00 0.64 3.80 5.00 0.00 -1.07 -5.00 105.19 108.55 3dfy n GLY 285 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.88 4.52 0.36 0.99 2.96 -0.92 -5.02 118.68 120.69 3dfy s LEU 286 Ca 0.00 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 3dfy s LEU 286 Cb 0.00 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 3dfy s LEU 286 CO 0.00 0.24 0.55 -0.54 -1.32 0.00 0.00 176.35 175.28 3dfy s LYS 287 N -0.96 3.39 0.05 1.98 -0.14 -0.29 -4.40 119.74 119.38 3dfy s LYS 287 Ca 0.30 -0.42 0.02 0.00 -1.36 0.00 0.00 55.97 54.51 3dfy s LYS 287 Cb -0.20 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 3dfy s LYS 287 CO 0.20 0.09 -0.07 -0.51 -0.76 0.00 0.00 175.35 174.30 3dfy s LEU 288 N -4.33 2.30 0.10 3.17 1.43 -1.26 -2.28 118.68 117.81 3dfy s LEU 288 Ca 0.41 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3dfy s LEU 288 Cb -0.10 -0.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 3dfy s LEU 288 CO 0.36 -0.26 -0.04 0.00 0.23 0.00 0.00 176.35 176.64 3dfy s MET 289 N -2.00 0.84 -0.05 1.70 0.23 -0.98 -1.06 119.30 117.97 3dfy s MET 289 Ca -0.06 -1.35 0.03 0.00 -1.03 0.00 0.00 55.69 53.28 3dfy s MET 289 Cb -0.07 -0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.13 3dfy s MET 289 CO -0.01 -0.07 -0.15 -1.50 -2.03 0.00 0.00 175.02 171.26 3dfy s ILE 290 N -3.72 1.29 0.00 3.16 2.07 -1.00 -1.36 121.20 121.64 3dfy s ILE 290 Ca 0.13 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 3dfy s ILE 290 Cb 0.06 -1.14 0.00 0.00 0.13 0.00 0.00 42.46 41.52 3dfy s ILE 290 CO -0.04 0.38 0.00 0.61 -1.91 0.00 0.00 174.94 173.98 3dfy n GLY 291 N 3.41 7.10 3.82 1.50 0.00 0.28 0.36 105.19 121.65 3dfy n GLY 291 Ca -0.20 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 3dfy n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n MET 293 N -0.55 0.00 -2.06 0.00 2.81 -1.26 -5.00 117.12 111.07 3dfy n MET 293 Ca -0.07 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.68 3dfy n MET 293 Cb 0.60 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.15 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 4.78 4.87 3.75 3.03 0.00 -1.26 -4.77 105.19 115.60 3dfy n GLY 294 Ca 0.00 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.46 3.23 0.00 1.61 8.01 -1.26 -4.91 118.70 121.92 3dfy s GLU 295 Ca 0.43 2.01 0.00 0.00 0.01 0.00 0.00 54.97 57.42 3dfy s GLU 295 Cb 0.38 -2.20 0.00 0.00 -4.31 0.00 0.00 34.13 28.01 3dfy s GLU 295 CO -0.00 -1.05 0.00 -1.13 0.01 0.00 0.00 175.26 173.09 3dfy n SER 296 N -1.07 0.00 -0.14 -0.19 3.41 -1.26 -2.78 113.62 111.59 3dfy n SER 296 Ca 0.11 -0.51 -0.07 0.00 -0.26 0.00 0.00 58.87 58.14 3dfy n SER 296 Cb 0.47 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.88 -0.57 4.04 4.64 -1.92 0.30 113.55 120.91 3dfy h SER 297 Ca 0.00 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 3dfy h SER 297 Cb 0.00 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 3dfy h SER 297 CO 0.00 0.97 0.09 0.25 -0.87 0.00 0.00 176.83 177.26 3dfy h LEU 298 N 0.82 0.94 -0.18 5.97 6.46 -1.94 -1.47 115.31 125.91 3dfy h LEU 298 Ca 0.15 -0.22 -0.17 0.00 -0.12 0.00 0.00 57.88 57.52 3dfy h LEU 298 Cb 0.55 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 3dfy h LEU 298 CO 0.03 0.95 -0.55 1.23 -0.62 0.00 0.00 178.44 179.48 3dfy h GLY 299 N 1.03 0.77 2.00 3.75 0.00 -1.82 -3.01 103.07 105.79 3dfy h GLY 299 Ca 0.19 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 3dfy h GLY 299 CO 0.01 0.89 -0.14 1.19 0.00 0.00 0.00 176.54 178.48 3dfy h ILE 300 N 0.40 0.53 -0.79 2.60 6.09 -0.84 -1.33 117.51 124.17 3dfy h ILE 300 Ca -0.02 -0.69 0.12 0.00 -1.37 0.00 0.00 64.86 62.90 3dfy h ILE 300 Cb 1.18 1.46 -0.06 0.00 0.47 0.00 0.00 36.82 39.87 3dfy h ILE 300 CO 0.12 0.14 0.52 -1.13 -3.07 0.00 0.00 178.15 174.73 3dfy h ASN 301 N 0.00 0.58 -0.25 2.19 -1.24 -1.12 -0.21 115.58 115.53 3dfy h ASN 301 Ca -0.00 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.06 3dfy h ASN 301 Cb 0.45 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 3dfy h ASN 301 CO 0.02 0.33 0.09 1.56 -1.29 0.00 0.00 177.43 178.13 3dfy h GLN 302 N 0.63 0.19 0.00 6.67 4.20 -1.31 -2.12 115.11 123.38 3dfy h GLN 302 Ca 0.37 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.95 3dfy h GLN 302 Cb 0.58 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3dfy h GLN 302 CO -0.14 0.13 -0.57 0.77 -0.67 0.00 0.00 178.83 178.34 3dfy h SER 303 N 0.20 0.00 -0.01 1.46 0.02 -1.39 -2.56 113.55 111.27 3dfy h SER 303 Ca 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3dfy h SER 303 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 3dfy h SER 303 CO -0.11 0.57 0.00 0.58 -1.14 0.00 0.00 176.83 176.73 3dfy h VAL 304 N 0.00 1.22 -0.75 2.27 2.07 -0.76 0.17 116.25 120.47 3dfy h VAL 304 Ca -0.01 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3dfy h VAL 304 Cb 1.24 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3dfy h VAL 304 CO 0.07 0.17 0.30 0.45 0.02 0.00 0.00 177.57 178.58 3dfy h HIS 305 N -0.25 1.14 -0.36 1.57 -0.00 -1.45 0.02 115.15 115.82 3dfy h HIS 305 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 3dfy h HIS 305 Cb 0.28 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 3dfy h HIS 305 CO 0.02 0.87 0.24 0.35 -0.00 0.00 0.00 177.93 179.41 3dfy h PHE 306 N 1.08 0.45 -0.32 2.45 3.57 -1.32 0.18 116.94 123.03 3dfy h PHE 306 Ca 0.25 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 3dfy h PHE 306 Cb 0.21 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3dfy h PHE 306 CO 0.02 0.28 -0.04 0.00 -2.23 0.00 0.00 178.31 176.35 3dfy h ALA 307 N 1.13 0.43 -0.16 2.41 0.00 -0.64 -2.19 119.26 120.25 3dfy h ALA 307 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dfy h ALA 307 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dfy h ALA 307 CO -0.03 0.23 0.06 -0.07 0.00 0.00 0.00 179.25 179.43 3dfy h LEU 308 N 0.37 0.23 -0.21 0.00 3.38 -0.86 0.38 115.31 118.61 3dfy h LEU 308 Ca 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3dfy h LEU 308 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dfy h LEU 308 CO 0.02 0.35 0.10 1.23 0.09 0.00 0.00 178.44 180.23 3dfy h GLY 309 N 0.10 0.32 1.61 0.83 0.00 -0.96 -0.54 103.07 104.43 3dfy h GLY 309 Ca 0.05 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 3dfy h GLY 309 CO -0.00 0.15 -1.27 -0.91 0.00 0.00 0.00 176.54 174.51 3dfy h THR 310 N 0.20 1.39 -3.86 4.70 1.35 -1.45 -0.58 112.91 114.67 3dfy h THR 310 Ca 0.07 -3.15 -0.35 0.00 -0.55 0.00 0.00 66.41 62.43 3dfy h THR 310 Cb 0.13 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 3dfy h THR 310 CO -0.01 0.80 -0.48 0.61 -0.25 0.00 0.00 175.52 176.19 3dfy n GLY 311 N 1.44 -0.50 0.02 5.82 0.00 0.13 -4.77 105.19 107.33 3dfy n GLY 311 Ca -0.07 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3dfy n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n ALA 312 N -2.57 3.08 -2.86 4.61 0.00 -1.26 -4.93 120.51 116.59 3dfy n ALA 312 Ca -0.16 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 52.66 3dfy n ALA 312 Cb 0.63 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.04 3.57 0.10 0.00 0.08 -1.26 -4.48 117.98 112.95 3dfy s PHE 313 Ca 0.11 0.50 -0.01 0.00 0.12 0.00 0.00 56.93 57.64 3dfy s PHE 313 Cb 0.17 -1.97 -0.21 0.00 -0.57 0.00 0.00 43.02 40.43 3dfy s PHE 313 CO 0.66 0.67 1.22 0.93 -0.10 0.00 0.00 175.22 178.60 3dfy h GLU 314 N 5.25 0.22 -4.19 0.44 4.39 -1.46 -3.46 114.58 115.77 3dfy h GLU 314 Ca -0.53 -0.34 -0.22 0.00 0.34 0.00 0.00 59.36 58.60 3dfy h GLU 314 Cb 1.22 0.12 -0.22 0.00 -0.10 0.00 0.00 28.75 29.77 3dfy h GLU 314 CO 0.61 1.13 -0.72 -0.06 -1.16 0.00 0.00 179.01 178.81 3dfy s PHE 315 N -2.80 0.40 -0.09 4.33 0.08 -1.25 -5.07 117.98 113.57 3dfy s PHE 315 Ca -0.03 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 56.61 3dfy s PHE 315 Cb 0.08 -0.25 0.01 0.00 -0.57 0.00 0.00 43.02 42.29 3dfy s PHE 315 CO 0.86 -0.12 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.69 3dfy s HIS 316 N -1.19 1.97 -0.72 0.36 3.76 -1.25 -2.37 115.29 115.85 3dfy s HIS 316 Ca -0.11 -0.84 0.04 0.00 -0.15 0.00 0.00 55.06 54.00 3dfy s HIS 316 Cb -0.08 -1.39 0.25 0.00 1.11 0.00 0.00 32.58 32.47 3dfy s HIS 316 CO -0.00 -0.40 0.85 -3.47 -0.85 0.00 0.00 174.74 170.86 3dfy n ASP 317 N 3.90 4.16 -3.34 1.40 2.03 0.16 -1.10 116.55 123.76 3dfy n ASP 317 Ca -0.20 -3.42 -0.28 0.00 0.52 0.00 0.00 54.79 51.41 3dfy n ASP 317 Cb 0.52 -0.79 -0.07 0.00 -0.72 0.00 0.00 41.12 40.07 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 1.05 4.07 -0.45 -2.67 4.77 -1.26 -3.19 117.00 119.32 3dfy n LEU 318 Ca 0.28 -5.49 0.05 0.00 -0.03 0.00 0.00 56.01 50.82 3dfy n LEU 318 Cb 0.39 -0.67 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 3dfy n LEU 318 CO 0.45 2.11 0.49 -0.90 -1.33 0.00 0.00 177.39 178.21 3dfy n ASP 319 N 0.61 2.22 -0.09 -1.43 5.75 -1.26 -4.72 116.55 117.63 3dfy n ASP 319 Ca 0.30 -1.65 -0.07 0.00 -0.01 0.00 0.00 54.79 53.36 3dfy n ASP 319 Cb 0.40 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 1.82 0.04 0.22 -1.12 4.64 -1.86 -1.18 113.55 116.10 3dfy h SER 320 Ca 0.00 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3dfy h SER 320 Cb 0.52 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3dfy h SER 320 CO 0.00 0.06 -0.01 1.12 -0.87 0.00 0.00 176.83 177.13 3dfy h HIS 321 N 0.19 0.00 0.00 4.77 2.07 -1.76 -0.07 115.15 120.35 3dfy h HIS 321 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 3dfy h HIS 321 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 3dfy h HIS 321 CO -0.16 0.01 -0.22 1.28 -3.07 0.00 0.00 177.93 175.77 3dfy n LEU 322 N -3.21 0.74 0.03 6.12 4.77 -0.47 -3.41 117.00 121.57 3dfy n LEU 322 Ca -0.02 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.52 3dfy n LEU 322 Cb 0.13 -0.28 0.09 0.00 -2.33 0.00 0.00 43.42 41.03 3dfy n LEU 322 CO 0.23 -0.12 0.15 0.23 -1.33 0.00 0.00 177.39 176.55 3dfy n MET 323 N -2.16 0.24 -2.22 3.23 2.81 -0.05 -4.94 117.12 114.03 3dfy n MET 323 Ca 0.05 0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.84 3dfy n MET 323 Cb 0.43 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.37 3dfy n MET 323 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dfy n LEU 324 N -1.91 0.00 -3.91 4.03 4.77 -1.15 -3.70 117.00 115.13 3dfy n LEU 324 Ca 0.03 -1.45 -0.26 0.00 -0.03 0.00 0.00 56.01 54.30 3dfy n LEU 324 Cb 0.42 -0.21 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 3dfy n LEU 324 CO 0.39 -0.60 -0.44 -0.54 -1.33 0.00 0.00 177.39 174.87 3dfy s LYS 325 N -3.47 1.43 -0.02 3.23 1.02 -0.88 -4.97 119.74 116.09 3dfy s LYS 325 Ca 0.32 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.09 3dfy s LYS 325 Cb -0.03 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.83 3dfy s LYS 325 CO 0.21 -0.21 -0.08 -1.21 -0.92 0.00 0.00 175.35 173.14 3dfy s GLU 326 N 1.49 0.76 0.18 1.68 2.02 -1.26 -4.51 118.70 119.06 3dfy s GLU 326 Ca 0.00 -0.27 -0.08 0.00 0.02 0.00 0.00 54.97 54.65 3dfy s GLU 326 Cb -0.13 -0.73 0.08 0.00 0.10 0.00 0.00 34.13 33.44 3dfy s GLU 326 CO -0.05 0.12 1.59 1.05 0.02 0.00 0.00 175.26 177.99 3dfy h GLU 327 N 6.24 0.95 -4.38 1.61 4.11 -2.04 -3.43 114.58 117.64 3dfy h GLU 327 Ca -0.32 -0.38 -0.45 0.00 0.07 0.00 0.00 59.36 58.28 3dfy h GLU 327 Cb 1.17 -0.05 -0.33 0.00 0.50 0.00 0.00 28.75 30.05 3dfy h GLU 327 CO 0.49 1.04 -0.79 0.54 0.07 0.00 0.00 179.01 180.36 3dfy s VAL 328 N -4.71 0.82 0.32 -1.06 0.11 -1.26 -5.12 120.40 109.50 3dfy s VAL 328 Ca -0.11 -0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 3dfy s VAL 328 Cb 0.13 -0.77 -0.11 0.00 -1.53 0.00 0.00 36.38 34.10 3dfy s VAL 328 CO 0.86 0.28 1.56 0.12 -3.33 0.00 0.00 175.10 174.59 3dfy s PHE 329 N 0.60 2.69 -0.09 1.54 5.36 -1.26 -4.92 117.98 121.90 3dfy s PHE 329 Ca -0.10 0.90 0.13 0.00 -0.96 0.00 0.00 56.93 56.89 3dfy s PHE 329 Cb -0.13 -4.06 0.19 0.00 -0.34 0.00 0.00 43.02 38.68 3dfy s PHE 329 CO 0.02 -3.43 1.09 0.54 -1.46 0.00 0.00 175.22 171.97 3dfy n ARG 330 N 1.61 0.99 -3.57 10.12 1.74 -1.26 -5.05 116.66 121.23 3dfy n ARG 330 Ca 0.06 -2.07 -0.27 0.00 -0.77 0.00 0.00 57.85 54.80 3dfy n ARG 330 Cb 0.38 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 3dfy n ARG 330 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dfy s GLY 331 N -2.23 1.72 -0.94 -0.13 0.00 -1.26 -3.98 107.32 100.50 3dfy s GLY 331 Ca 0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 3dfy s GLY 331 CO 0.02 -0.73 1.87 0.28 0.00 0.00 0.00 173.10 174.54 3dfy n LYS 332 N -0.93 4.35 -3.87 2.90 5.02 -1.26 -4.91 118.16 119.46 3dfy n LYS 332 Ca -0.04 -4.23 -0.09 0.00 -2.02 0.00 0.00 58.31 51.93 3dfy n LYS 332 Cb 0.54 -2.39 -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 -4.21 0.11 -0.21 2.13 -0.12 -1.26 -4.81 117.98 109.61 3dfy s PHE 333 Ca 0.44 -0.64 -0.05 0.00 -0.05 0.00 0.00 56.93 56.63 3dfy s PHE 333 Cb 0.29 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.31 3dfy s PHE 333 CO -0.24 -1.36 0.00 0.42 -0.05 0.00 0.00 175.22 173.99 3dfy s ILE 334 N -3.13 3.94 -0.39 -4.49 1.01 0.29 -4.96 121.20 113.47 3dfy s ILE 334 Ca 0.16 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 3dfy s ILE 334 Cb -0.05 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.64 3dfy s ILE 334 CO 0.10 0.42 0.33 -1.58 0.00 0.00 0.00 174.94 174.22 3dfy s GLN 335 N 1.09 3.15 -0.45 2.79 2.00 -1.26 -1.33 119.66 125.65 3dfy s GLN 335 Ca 0.02 -0.82 0.03 0.00 -2.00 0.00 0.00 55.36 52.59 3dfy s GLN 335 Cb -0.14 -3.93 0.13 0.00 0.80 0.00 0.00 33.01 29.86 3dfy s GLN 335 CO 0.02 -0.70 0.22 0.34 -0.50 0.00 0.00 175.29 174.66 3dfy s ASP 336 N 1.73 4.02 1.15 6.67 2.15 0.06 -5.03 116.67 127.42 3dfy s ASP 336 Ca 0.08 -2.66 0.00 0.00 0.43 0.00 0.00 52.55 50.40 3dfy s ASP 336 Cb -0.18 -1.30 0.00 0.00 -0.30 0.00 0.00 42.92 41.14 3dfy s ASP 336 CO 0.11 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 3dfy n GLY 337 N 3.54 2.85 0.00 2.66 0.00 -1.26 -1.58 105.19 111.40 3dfy n GLY 337 Ca 0.06 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 13.77 0.72 -4.24 1.61 -0.04 -1.26 -4.82 135.00 140.74 3dfy n PRO 338 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 3dfy n PRO 338 Cb 0.00 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 31.95 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 2.34 -0.03 0.54 0.52 -0.61 -0.20 118.95 119.52 3dfy s ARG 339 Ca 0.30 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 3dfy s ARG 339 Cb 0.14 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3dfy s ARG 339 CO 0.23 0.42 -0.09 -1.64 0.02 0.00 0.00 175.30 174.24 3dfy s MET 340 N -3.17 1.03 0.16 3.54 -1.94 -0.04 -0.76 119.30 118.11 3dfy s MET 340 Ca 0.28 -0.32 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 3dfy s MET 340 Cb -0.08 -0.95 -0.04 0.00 2.01 0.00 0.00 34.83 35.76 3dfy s MET 340 CO 0.19 0.11 0.03 1.03 -0.01 0.00 0.00 175.02 176.37 3dfy s ARG 341 N 0.23 1.05 0.17 2.03 0.52 -0.44 -1.78 118.95 120.72 3dfy s ARG 341 Ca -0.04 -1.51 0.07 0.00 -0.52 0.00 0.00 55.73 53.73 3dfy s ARG 341 Cb -0.09 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 3dfy s ARG 341 CO 0.01 -0.20 0.01 0.54 0.02 0.00 0.00 175.30 175.68 3dfy s VAL 342 N -3.84 3.82 -2.28 3.52 0.11 -1.25 0.10 120.40 120.59 3dfy s VAL 342 Ca 0.25 -1.35 0.18 0.00 -2.93 0.00 0.00 61.98 58.13 3dfy s VAL 342 Cb 0.07 -2.91 0.14 0.00 -1.53 0.00 0.00 36.38 32.15 3dfy s VAL 342 CO 0.04 -0.09 1.08 1.17 -3.33 0.00 0.00 175.10 173.96