#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 3.49 -0.11 0.55 1.01 -0.57 -1.17 121.20 124.40 3dfy s ILE 4 Ca 0.00 1.10 0.13 0.00 0.00 0.00 0.00 60.65 61.88 3dfy s ILE 4 Cb 0.00 -3.71 -0.18 0.00 0.01 0.00 0.00 42.46 38.58 3dfy s ILE 4 CO 0.00 0.10 0.11 1.33 0.00 0.00 0.00 174.94 176.48 3dfy n VAL 5 N 3.65 0.75 -3.57 2.92 0.24 0.17 -0.44 118.33 122.06 3dfy n VAL 5 Ca 0.10 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 3dfy n VAL 5 Cb 0.44 -0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 32.30 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 -4.50 -0.38 -0.02 -1.34 2.47 -1.06 -4.89 114.94 105.22 3dfy s ASN 6 Ca -0.07 -0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.14 3dfy s ASN 6 Cb 0.05 0.51 0.01 0.00 -1.45 0.00 0.00 41.25 40.37 3dfy s ASN 6 CO 0.58 -0.83 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.42 3dfy s VAL 7 N -3.32 0.24 -0.02 -5.21 1.01 -1.26 -1.28 120.40 110.56 3dfy s VAL 7 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3dfy s VAL 7 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3dfy s VAL 7 CO -0.09 0.12 -0.08 -0.75 0.00 0.00 0.00 175.10 174.31 3dfy s LYS 8 N 0.56 0.79 -0.08 2.72 2.20 0.87 -4.84 119.74 121.97 3dfy s LYS 8 Ca -0.06 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 3dfy s LYS 8 Cb -0.09 -0.76 -0.03 0.00 -1.51 0.00 0.00 37.83 35.45 3dfy s LYS 8 CO -0.01 0.12 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.50 3dfy s LEU 9 N 0.09 3.01 -0.02 5.43 1.02 -1.26 -0.22 118.68 126.73 3dfy s LEU 9 Ca -0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.01 3dfy s LEU 9 Cb -0.07 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.51 3dfy s LEU 9 CO 0.00 0.31 0.04 -0.44 0.02 0.00 0.00 176.35 176.29 3dfy s SER 10 N -0.51 0.00 0.06 2.29 0.01 -0.25 -4.95 113.70 110.36 3dfy s SER 10 Ca 0.07 0.08 -0.31 0.00 1.31 0.00 0.00 55.95 57.11 3dfy s SER 10 Cb -0.12 0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.07 3dfy s SER 10 CO 0.02 -0.08 1.21 -0.22 0.41 0.00 0.00 173.24 174.58 3dfy s LEU 11 N 0.62 4.36 -0.09 2.44 2.96 -1.26 -0.66 118.68 127.06 3dfy s LEU 11 Ca -0.05 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 3dfy s LEU 11 Cb -0.07 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3dfy s LEU 11 CO -0.02 -0.49 -0.06 -0.54 -1.32 0.00 0.00 176.35 173.92 3dfy s LYS 12 N 1.14 1.27 -0.09 1.98 -0.14 -0.21 -4.93 119.74 118.76 3dfy s LYS 12 Ca 0.59 -0.19 -0.02 0.00 -1.36 0.00 0.00 55.97 55.00 3dfy s LYS 12 Cb -0.30 -1.33 -0.03 0.00 -1.68 0.00 0.00 37.83 34.49 3dfy s LYS 12 CO 0.29 -0.20 -0.01 1.03 -0.76 0.00 0.00 175.35 175.70 3dfy s ARG 13 N 1.48 2.97 -0.05 1.68 0.52 -1.26 -0.81 118.95 123.48 3dfy s ARG 13 Ca -0.01 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 3dfy s ARG 13 Cb -0.13 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.58 3dfy s ARG 13 CO -0.04 0.68 -0.12 0.71 0.02 0.00 0.00 175.30 176.54 3dfy s TYR 14 N -0.82 1.39 0.02 -0.53 2.02 -0.22 -4.95 117.35 114.26 3dfy s TYR 14 Ca 0.12 -0.47 -0.18 0.00 -0.37 0.00 0.00 57.07 56.18 3dfy s TYR 14 Cb -0.11 -1.01 -0.06 0.00 -0.40 0.00 0.00 41.96 40.38 3dfy s TYR 14 CO 0.02 -0.22 0.51 -2.00 -1.57 0.00 0.00 175.55 172.29 3dfy s GLU 15 N 0.48 4.15 0.00 -0.62 2.12 -1.26 0.68 118.70 124.24 3dfy s GLU 15 Ca -0.11 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.83 3dfy s GLU 15 Cb -0.14 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3dfy s GLU 15 CO 0.03 0.56 0.00 0.66 -0.54 0.00 0.00 175.26 175.97 3dfy n TYR 16 N 2.12 0.00 -2.05 5.30 4.01 -1.26 -1.44 117.16 123.84 3dfy n TYR 16 Ca -0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.62 3dfy n TYR 16 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.53 3dfy n TYR 16 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3dfy n GLU 17 N 0.00 0.00 -4.23 -0.72 4.07 -1.23 -4.25 120.64 114.28 3dfy n GLU 17 Ca 0.00 -0.66 -0.30 0.00 -0.06 0.00 0.00 57.16 56.13 3dfy n GLU 17 Cb 0.00 0.03 -0.09 0.00 -0.06 0.00 0.00 31.44 31.32 3dfy n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3dfy s GLU 29 N 0.00 2.32 -0.23 5.31 2.12 -1.26 -5.13 118.70 121.83 3dfy s GLU 29 Ca 0.04 -0.92 0.01 0.00 0.36 0.00 0.00 54.97 54.46 3dfy s GLU 29 Cb 0.04 -2.41 0.06 0.00 0.26 0.00 0.00 34.13 32.08 3dfy s GLU 29 CO -0.02 0.53 -0.08 0.45 -0.54 0.00 0.00 175.26 175.60 3dfy s SER 30 N -2.12 3.91 -0.43 -1.70 0.15 0.21 -4.95 113.70 108.77 3dfy s SER 30 Ca 0.22 -1.17 -0.17 0.00 0.70 0.00 0.00 55.95 55.53 3dfy s SER 30 Cb -0.11 -1.30 0.03 0.00 -1.71 0.00 0.00 66.02 62.92 3dfy s SER 30 CO 0.14 -0.20 0.45 -0.13 1.20 0.00 0.00 173.24 174.70 3dfy s ARG 31 N 1.31 3.08 0.41 5.44 0.52 -1.26 -1.05 118.95 127.40 3dfy s ARG 31 Ca -0.06 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.39 3dfy s ARG 31 Cb -0.18 -4.00 -0.05 0.00 0.52 0.00 0.00 34.95 31.24 3dfy s ARG 31 CO -0.06 -0.90 0.20 -0.80 0.02 0.00 0.00 175.30 173.75 3dfy s ASN 32 N 1.96 4.47 -0.17 0.23 0.01 0.01 -4.61 114.94 116.84 3dfy s ASN 32 Ca 0.11 -1.05 0.01 0.00 -0.71 0.00 0.00 52.86 51.22 3dfy s ASN 32 Cb -0.18 -0.49 0.02 0.00 0.41 0.00 0.00 41.25 41.01 3dfy s ASN 32 CO 0.13 -0.55 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.31 3dfy s VAL 33 N -2.59 1.81 0.01 1.60 1.01 0.26 -1.04 120.40 121.45 3dfy s VAL 33 Ca 0.42 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 3dfy s VAL 33 Cb 0.03 -1.67 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 3dfy s VAL 33 CO 0.23 0.48 0.41 -0.70 0.00 0.00 0.00 175.10 175.52 3dfy s GLU 34 N 1.39 3.91 -0.13 2.72 2.12 0.16 0.24 118.70 129.11 3dfy s GLU 34 Ca 0.05 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.77 3dfy s GLU 34 Cb -0.13 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 3dfy s GLU 34 CO -0.12 0.68 -0.11 0.08 -0.54 0.00 0.00 175.26 175.25 3dfy s VAL 35 N -1.11 3.21 -0.11 3.70 1.01 0.57 -1.09 120.40 126.59 3dfy s VAL 35 Ca 0.25 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3dfy s VAL 35 Cb -0.16 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.86 3dfy s VAL 35 CO 0.14 0.52 -0.21 -0.70 0.00 0.00 0.00 175.10 174.85 3dfy s GLU 36 N 0.33 2.80 -0.10 2.72 2.12 0.70 -1.32 118.70 125.94 3dfy s GLU 36 Ca -0.09 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.48 3dfy s GLU 36 Cb -0.16 -2.20 -0.00 0.00 0.26 0.00 0.00 34.13 32.03 3dfy s GLU 36 CO 0.05 0.07 -0.21 0.42 -0.54 0.00 0.00 175.26 175.05 3dfy s ILE 37 N 0.60 2.30 -0.11 -3.70 1.01 -0.43 -0.09 121.20 120.78 3dfy s ILE 37 Ca -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.60 3dfy s ILE 37 Cb -0.17 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3dfy s ILE 37 CO 0.04 0.55 -0.17 -0.69 0.00 0.00 0.00 174.94 174.67 3dfy s VAL 38 N 0.31 2.73 0.30 2.92 1.01 -0.41 -0.62 120.40 126.64 3dfy s VAL 38 Ca -0.16 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3dfy s VAL 38 Cb -0.17 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3dfy s VAL 38 CO 0.08 0.54 0.46 -0.76 0.00 0.00 0.00 175.10 175.42 3dfy s LEU 39 N 0.21 4.12 0.35 3.92 1.02 -0.38 0.43 118.68 128.36 3dfy s LEU 39 Ca -0.11 0.14 0.10 0.00 0.02 0.00 0.00 54.13 54.28 3dfy s LEU 39 Cb -0.16 -2.99 0.84 0.00 0.02 0.00 0.00 46.19 43.90 3dfy s LEU 39 CO 0.06 -0.25 1.85 -0.33 0.02 0.00 0.00 176.35 177.70 3dfy h GLU 40 N 0.94 0.65 0.00 1.70 5.08 -1.47 0.58 114.58 122.06 3dfy h GLU 40 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3dfy h GLU 40 Cb 1.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3dfy h GLU 40 CO 0.59 0.43 0.00 -1.13 -1.00 0.00 0.00 179.01 177.90 3dfy n SER 41 N -4.59 0.00 0.00 1.42 3.41 -1.26 -4.86 113.62 107.74 3dfy n SER 41 Ca 0.19 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3dfy n SER 41 Cb 0.52 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 2.72 3.76 5.00 0.00 0.19 -5.05 105.19 111.88 3dfy n GLY 42 Ca 0.06 0.00 -0.39 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 -2.71 2.21 -0.06 1.61 1.01 -1.26 -4.74 120.40 116.46 3dfy s VAL 43 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3dfy s VAL 43 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3dfy s VAL 43 CO 0.00 0.02 -0.15 -0.54 0.00 0.00 0.00 175.10 174.43 3dfy s LYS 44 N -2.52 1.86 0.10 2.72 1.02 -1.26 -1.24 119.74 120.42 3dfy s LYS 44 Ca 0.63 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 56.15 3dfy s LYS 44 Cb -0.41 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 3dfy s LYS 44 CO 0.52 0.11 -0.04 0.20 -0.92 0.00 0.00 175.35 175.22 3dfy s GLY 45 N 0.44 1.86 0.01 -3.33 0.00 0.21 -4.68 107.32 101.83 3dfy s GLY 45 Ca -0.12 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.45 3dfy s GLY 45 CO 0.04 -1.16 -0.09 -0.19 0.00 0.00 0.00 173.10 171.70 3dfy s TYR 46 N -1.30 0.76 0.19 1.90 2.02 -1.26 -1.31 117.35 118.35 3dfy s TYR 46 Ca 0.24 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.68 3dfy s TYR 46 Cb -0.11 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 3dfy s TYR 46 CO 0.17 -0.02 0.18 0.20 -1.57 0.00 0.00 175.55 174.51 3dfy s GLY 47 N -0.58 1.09 -0.04 0.71 0.00 -0.44 -4.04 107.32 104.03 3dfy s GLY 47 Ca 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 3dfy s GLY 47 CO 0.00 -1.21 0.07 1.85 0.00 0.00 0.00 173.10 173.81 3dfy s GLU 48 N -4.09 -0.02 -0.27 2.90 2.12 -1.26 -0.31 118.70 117.77 3dfy s GLU 48 Ca 0.31 0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.81 3dfy s GLU 48 Cb 0.06 -0.29 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 3dfy s GLU 48 CO 0.08 -0.21 0.20 0.00 -0.54 0.00 0.00 175.26 174.79 3dfy s ALA 49 N 1.39 3.55 -0.58 6.30 0.00 0.14 -4.47 121.76 128.08 3dfy s ALA 49 Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3dfy s ALA 49 Cb -0.12 -2.48 0.15 0.00 0.00 0.00 0.00 23.12 20.67 3dfy s ALA 49 CO -0.04 -0.50 0.36 0.45 0.00 0.00 0.00 175.76 176.03 3dfy s SER 50 N 1.63 4.79 0.94 0.00 0.15 -1.26 -0.58 113.70 119.37 3dfy s SER 50 Ca 0.08 -2.96 -0.11 0.00 0.70 0.00 0.00 55.95 53.66 3dfy s SER 50 Cb -0.16 -1.75 0.16 0.00 -1.71 0.00 0.00 66.02 62.56 3dfy s SER 50 CO 0.10 -0.29 1.11 -2.16 1.20 0.00 0.00 173.24 173.19 3dfy s PRO 51 N -0.22 0.82 -0.08 5.44 0.04 -1.26 -4.56 135.00 135.18 3dfy s PRO 51 Ca 0.17 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 3dfy s PRO 51 Cb -0.23 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3dfy s PRO 51 CO -0.02 -2.68 0.14 0.45 0.04 0.00 0.00 177.00 174.93 3dfy s SER 52 N -2.80 0.73 0.00 6.66 0.15 -1.26 -4.86 113.70 112.32 3dfy s SER 52 Ca 0.66 0.29 -0.20 0.00 0.70 0.00 0.00 55.95 57.40 3dfy s SER 52 Cb -0.22 0.20 -0.23 0.00 -1.71 0.00 0.00 66.02 64.06 3dfy s SER 52 CO 0.59 -0.24 1.10 0.15 1.20 0.00 0.00 173.24 176.04 3dfy h PHE 53 N 8.27 0.59 0.07 3.44 3.57 -1.84 -1.48 116.94 129.57 3dfy h PHE 53 Ca -0.16 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 3dfy h PHE 53 Cb 1.12 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.79 3dfy h PHE 53 CO 0.44 1.14 -0.04 -0.09 -2.23 0.00 0.00 178.31 177.53 3dfy h ARG 54 N -0.12 -0.10 0.06 1.11 2.43 -1.94 0.95 114.38 116.78 3dfy h ARG 54 Ca -0.07 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 3dfy h ARG 54 Cb 1.30 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3dfy h ARG 54 CO 0.12 -0.00 -0.59 0.28 -1.51 0.00 0.00 179.97 178.26 3dfy h VAL 55 N -0.16 1.51 -0.01 0.20 2.07 -1.98 -3.39 116.25 114.49 3dfy h VAL 55 Ca -0.01 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.11 3dfy h VAL 55 Cb 0.14 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3dfy h VAL 55 CO 0.02 0.63 -0.48 0.59 0.02 0.00 0.00 177.57 178.35 3dfy n ASN 56 N -4.34 1.35 -0.18 0.57 3.02 -0.66 -4.98 115.26 110.04 3dfy n ASN 56 Ca -0.16 -1.17 -0.02 0.00 -0.03 0.00 0.00 54.58 53.20 3dfy n ASN 56 Cb 0.67 0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 40.48 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 1.24 0.54 3.87 7.41 0.00 0.33 -4.95 105.19 113.63 3dfy n GLY 57 Ca 0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.32 3.75 -0.04 1.61 2.02 -0.65 -4.83 118.70 119.24 3dfy s GLU 58 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.62 3dfy s GLU 58 Cb 0.00 -2.24 0.03 0.00 0.10 0.00 0.00 34.13 32.01 3dfy s GLU 58 CO 0.00 -0.26 -0.01 1.03 0.02 0.00 0.00 175.26 176.04 3dfy s ARG 59 N -4.37 0.45 0.37 1.61 0.52 -1.26 -2.76 118.95 113.51 3dfy s ARG 59 Ca 0.54 0.05 0.13 0.00 -0.52 0.00 0.00 55.73 55.92 3dfy s ARG 59 Cb -0.10 -0.62 0.94 0.00 0.52 0.00 0.00 34.95 35.68 3dfy s ARG 59 CO 0.39 -0.15 1.82 -0.24 0.02 0.00 0.00 175.30 177.15 3dfy h VAL 60 N 6.23 0.70 -0.19 3.52 3.04 -1.95 0.15 116.25 127.75 3dfy h VAL 60 Ca -0.38 -0.19 -0.06 0.00 -1.01 0.00 0.00 66.70 65.06 3dfy h VAL 60 Cb 1.14 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 3dfy h VAL 60 CO 0.44 0.10 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.62 3dfy h GLU 61 N 0.56 0.31 -0.34 4.17 3.07 -1.98 -2.04 114.58 118.33 3dfy h GLU 61 Ca 0.51 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 59.13 3dfy h GLU 61 Cb 1.06 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3dfy h GLU 61 CO -0.26 0.46 -0.44 0.00 -1.40 0.00 0.00 179.01 177.37 3dfy h ALA 62 N 1.56 0.51 -0.61 3.43 0.00 -1.14 -2.36 119.26 120.65 3dfy h ALA 62 Ca 0.06 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3dfy h ALA 62 Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3dfy h ALA 62 CO 0.03 0.65 0.40 -0.07 0.00 0.00 0.00 179.25 180.26 3dfy h LEU 63 N 0.70 0.68 -1.16 0.00 4.07 -0.97 -2.61 115.31 116.02 3dfy h LEU 63 Ca 0.04 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 3dfy h LEU 63 Cb 1.04 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 3dfy h LEU 63 CO 0.10 0.49 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.76 3dfy h LEU 64 N 0.81 0.42 -1.97 1.67 3.38 -1.29 -2.98 115.31 115.34 3dfy h LEU 64 Ca 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dfy h LEU 64 Cb -0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3dfy h LEU 64 CO -0.06 0.58 -0.03 0.00 0.09 0.00 0.00 178.44 179.02 3dfy h ALA 65 N 1.47 1.04 -0.65 1.53 0.00 -1.02 -3.05 119.26 118.57 3dfy h ALA 65 Ca 0.08 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 3dfy h ALA 65 Cb 0.47 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 3dfy h ALA 65 CO 0.03 0.04 0.24 0.44 0.00 0.00 0.00 179.25 179.99 3dfy n ILE 66 N -3.18 2.84 -0.11 0.00 -5.35 -1.13 -4.63 119.36 107.80 3dfy n ILE 66 Ca -0.01 -1.92 -0.06 0.00 -0.27 0.00 0.00 62.75 60.49 3dfy n ILE 66 Cb 0.23 -0.36 0.02 0.00 -1.74 0.00 0.00 39.64 37.79 3dfy n ILE 66 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3dfy h GLU 67 N 1.97 0.25 -0.72 6.28 4.81 -1.68 -1.55 114.58 123.95 3dfy h GLU 67 Ca 0.29 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3dfy h GLU 67 Cb 2.20 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.49 3dfy h GLU 67 CO 0.67 0.17 0.31 -0.91 -0.73 0.00 0.00 179.01 178.52 3dfy h ASN 68 N 0.26 0.95 -0.44 1.04 -0.26 -1.88 -0.42 115.58 114.83 3dfy h ASN 68 Ca 0.17 -0.12 -0.07 0.00 -0.56 0.00 0.00 56.30 55.72 3dfy h ASN 68 Cb 0.16 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 3dfy h ASN 68 CO -0.19 0.83 0.01 0.00 -1.06 0.00 0.00 177.43 177.02 3dfy h ALA 69 N 1.31 0.59 -0.29 -0.83 0.00 -1.80 -0.82 119.26 117.41 3dfy h ALA 69 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 69 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dfy h ALA 69 CO -0.03 0.37 0.16 0.28 0.00 0.00 0.00 179.25 180.04 3dfy h VAL 70 N 0.61 1.13 -0.16 0.00 2.07 -0.90 -0.56 116.25 118.44 3dfy h VAL 70 Ca 0.13 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.35 3dfy h VAL 70 Cb 0.48 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3dfy h VAL 70 CO 0.02 0.13 -0.14 -0.09 0.02 0.00 0.00 177.57 177.51 3dfy h ARG 71 N 0.36 -0.15 -0.35 1.57 2.43 -0.94 -2.15 114.38 115.15 3dfy h ARG 71 Ca 0.10 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3dfy h ARG 71 Cb 0.06 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3dfy h ARG 71 CO -0.02 -0.10 0.16 1.49 -1.51 0.00 0.00 179.97 179.99 3dfy h GLU 72 N -0.15 0.48 -0.26 0.20 4.22 -0.82 -1.35 114.58 116.90 3dfy h GLU 72 Ca 0.10 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.42 3dfy h GLU 72 Cb 0.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3dfy h GLU 72 CO -0.25 0.38 -0.13 0.52 -2.18 0.00 0.00 179.01 177.35 3dfy h MET 73 N 0.49 0.43 -0.00 1.92 2.86 -0.42 -3.36 114.93 116.85 3dfy h MET 73 Ca 0.12 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dfy h MET 73 Cb 0.07 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3dfy h MET 73 CO -0.02 0.56 -0.01 0.44 1.06 0.00 0.00 176.91 178.95 3dfy n ILE 74 N -4.21 0.00 -1.77 -1.22 -5.35 -1.11 -5.01 119.36 100.68 3dfy n ILE 74 Ca 0.00 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.57 3dfy n ILE 74 Cb 0.31 1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 39.19 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 -0.82 2.09 0.00 7.28 2.01 -0.53 -2.17 115.64 123.51 3dfy s THR 75 Ca 0.00 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.07 3dfy s THR 75 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3dfy s THR 75 CO 0.01 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 3dfy n GLY 76 N 3.04 1.19 3.75 4.40 0.00 0.41 -4.97 105.19 113.02 3dfy n GLY 76 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.29 4.73 0.15 -0.61 1.01 -0.92 -4.64 121.20 118.63 3dfy s ILE 77 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 3dfy s ILE 77 Cb 0.00 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 3dfy s ILE 77 CO 0.00 0.40 1.07 -0.62 0.00 0.00 0.00 174.94 175.79 3dfy s ASP 78 N -0.25 7.32 0.22 3.58 -1.08 -1.26 -1.52 116.67 123.69 3dfy s ASP 78 Ca 0.36 2.00 0.19 0.00 -0.52 0.00 0.00 52.55 54.58 3dfy s ASP 78 Cb -0.20 -2.60 0.90 0.00 -1.46 0.00 0.00 42.92 39.56 3dfy s ASP 78 CO 0.22 -0.19 1.58 1.33 0.52 0.00 0.00 175.17 178.62 3dfy n VAL 79 N 2.61 1.08 0.39 1.11 0.24 -1.26 -1.11 118.33 121.39 3dfy n VAL 79 Ca 0.03 0.47 0.14 0.00 -2.04 0.00 0.00 64.34 62.93 3dfy n VAL 79 Cb 0.47 -1.42 0.48 0.00 -1.47 0.00 0.00 33.84 31.91 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 -1.60 7.34 0.11 -1.96 -2.50 114.38 115.78 3dfy h ARG 80 Ca 0.00 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.39 3dfy h ARG 80 Cb 0.16 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 30.91 3dfy h ARG 80 CO 0.00 0.00 0.38 0.09 0.10 0.00 0.00 179.97 180.54 3dfy n ASN 81 N -2.58 6.56 0.27 0.08 3.02 -0.26 -4.79 115.26 117.55 3dfy n ASN 81 Ca 0.03 -3.79 0.17 0.00 -0.03 0.00 0.00 54.58 50.95 3dfy n ASN 81 Cb 0.33 -0.82 0.91 0.00 -0.61 0.00 0.00 39.78 39.59 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 2.65 0.00 0.00 3.10 -0.00 -1.58 -1.24 116.97 119.90 3dfy h TYR 82 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.19 3dfy h TYR 82 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.25 3dfy h TYR 82 CO 1.09 0.00 -0.12 0.00 -0.00 0.00 0.00 178.16 179.13 3dfy h ALA 83 N 1.90 1.76 -0.18 0.10 0.00 -1.89 0.17 119.26 121.12 3dfy h ALA 83 Ca 0.03 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3dfy h ALA 83 Cb 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dfy h ALA 83 CO -0.00 0.15 -0.70 0.00 0.00 0.00 0.00 179.25 178.70 3dfy h ARG 84 N 0.00 0.80 -0.56 0.00 3.08 -1.61 -1.11 114.38 114.98 3dfy h ARG 84 Ca -0.00 -0.61 -0.06 0.00 0.07 0.00 0.00 59.98 59.37 3dfy h ARG 84 Cb 0.21 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3dfy h ARG 84 CO 0.02 1.23 0.09 0.82 -1.07 0.00 0.00 179.97 181.05 3dfy h ILE 85 N 0.54 1.24 -0.05 2.04 2.04 -1.27 -1.38 117.51 120.68 3dfy h ILE 85 Ca -0.04 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3dfy h ILE 85 Cb 1.33 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3dfy h ILE 85 CO 0.15 0.34 0.01 -0.26 0.00 0.00 0.00 178.15 178.38 3dfy h PHE 86 N 0.84 0.08 -0.07 1.37 -1.00 -0.58 -0.79 116.94 116.78 3dfy h PHE 86 Ca 0.17 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.96 3dfy h PHE 86 Cb 0.37 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3dfy h PHE 86 CO 0.02 0.31 -0.04 1.49 -1.61 0.00 0.00 178.31 178.49 3dfy h GLU 87 N -0.17 -0.03 -0.44 1.51 4.81 -1.02 -1.12 114.58 118.11 3dfy h GLU 87 Ca 0.01 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3dfy h GLU 87 Cb 0.28 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 3dfy h GLU 87 CO 0.00 -0.02 0.16 0.82 -0.73 0.00 0.00 179.01 179.24 3dfy h ILE 88 N -0.03 0.87 0.00 2.32 2.04 -1.20 -1.82 117.51 119.68 3dfy h ILE 88 Ca 0.04 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3dfy h ILE 88 Cb 0.10 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3dfy h ILE 88 CO -0.10 0.06 0.00 0.35 0.00 0.00 0.00 178.15 178.46 3dfy n THR 89 N -5.00 0.79 0.35 -0.27 -2.24 -0.31 -1.91 114.28 105.69 3dfy n THR 89 Ca 0.03 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 3dfy n THR 89 Cb 0.16 -0.99 0.55 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.84 3.42 3.32 -0.30 -1.05 116.42 122.65 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 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3dfy h ASP 90 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3dfy n ARG 91 N -2.37 0.16 -1.10 3.56 1.74 -0.80 -3.14 116.66 114.70 3dfy n ARG 91 Ca 0.01 0.33 -0.20 0.00 -0.77 0.00 0.00 57.85 57.22 3dfy n ARG 91 Cb 0.21 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.06 6.45 0.03 0.55 4.77 -0.40 -4.54 117.00 121.80 3dfy n LEU 92 Ca 0.03 -3.56 0.08 0.00 -0.03 0.00 0.00 56.01 52.53 3dfy n LEU 92 Cb 0.26 -1.13 0.33 0.00 -2.33 0.00 0.00 43.42 40.56 3dfy n LEU 92 CO 0.21 1.41 0.74 2.22 -1.33 0.00 0.00 177.39 180.64 3dfy n PHE 93 N 0.57 0.16 1.09 -1.77 1.16 -1.19 -0.82 117.46 116.66 3dfy n PHE 93 Ca 0.37 0.06 0.12 0.00 -1.87 0.00 0.00 57.45 56.14 3dfy n PHE 93 Cb 0.58 -0.60 0.25 0.00 -1.61 0.00 0.00 39.48 38.09 3dfy n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dfy n GLY 94 N -0.12 -0.91 2.50 4.97 0.00 -1.26 -4.18 105.19 106.19 3dfy n GLY 94 Ca 0.03 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.09 1.66 -0.35 1.61 3.72 -0.00 -4.77 117.46 118.24 3dfy n PHE 95 Ca 0.08 -3.52 0.15 0.00 -0.05 0.00 0.00 57.45 54.11 3dfy n PHE 95 Cb 0.35 -0.38 0.35 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.67 -0.26 -1.08 0.13 -1.70 -0.13 132.00 132.57 3dfy h PRO 96 Ca 0.08 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.09 3dfy h PRO 96 Cb 0.91 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 3dfy h PRO 96 CO 0.61 0.44 -0.18 0.66 -0.23 0.00 0.00 178.00 179.30 3dfy h SER 97 N 0.69 0.46 -0.19 1.44 4.64 -1.79 0.52 113.55 119.33 3dfy h SER 97 Ca 0.60 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.60 3dfy h SER 97 Cb 1.03 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3dfy h SER 97 CO -0.41 0.66 -0.58 0.25 -0.87 0.00 0.00 176.83 175.88 3dfy h LEU 98 N 0.42 0.88 -0.16 5.97 5.85 -1.43 -1.85 115.31 125.00 3dfy h LEU 98 Ca 0.07 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.34 3dfy h LEU 98 Cb 0.56 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3dfy h LEU 98 CO 0.04 1.27 -0.06 0.50 -0.34 0.00 0.00 178.44 179.85 3dfy h LYS 99 N 0.59 -0.03 -0.06 1.25 3.64 -0.51 -0.84 116.57 120.61 3dfy h LYS 99 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3dfy h LYS 99 Cb 1.17 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3dfy h LYS 99 CO 0.12 -0.02 -0.19 0.00 -2.27 0.00 0.00 179.45 177.10 3dfy h ALA 100 N 1.12 -0.18 -0.48 5.00 0.00 -0.76 -1.56 119.26 122.41 3dfy h ALA 100 Ca 0.08 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dfy h ALA 100 Cb 0.15 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 100 CO -0.18 -0.66 0.27 0.00 0.00 0.00 0.00 179.25 178.68 3dfy h ALA 101 N 0.70 0.61 -0.51 0.00 0.00 -0.98 -0.67 119.26 118.41 3dfy h ALA 101 Ca 0.08 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 101 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3dfy h ALA 101 CO -0.22 -0.05 -0.09 0.28 0.00 0.00 0.00 179.25 179.17 3dfy h VAL 102 N 0.54 1.27 -0.50 0.00 2.07 -1.00 -0.77 116.25 117.86 3dfy h VAL 102 Ca 0.20 -1.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3dfy h VAL 102 Cb 0.05 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3dfy h VAL 102 CO -0.10 0.43 -0.02 1.56 0.02 0.00 0.00 177.57 179.46 3dfy h GLN 103 N 0.83 0.89 -0.33 1.57 4.20 -1.08 -1.91 115.11 119.28 3dfy h GLN 103 Ca 0.13 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 3dfy h GLN 103 Cb 0.65 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3dfy h GLN 103 CO 0.04 0.94 -0.17 0.35 -0.67 0.00 0.00 178.83 179.33 3dfy h PHE 104 N 0.76 0.80 -0.39 2.96 3.57 -1.05 -2.59 116.94 120.99 3dfy h PHE 104 Ca 0.14 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.47 3dfy h PHE 104 Cb 0.55 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3dfy h PHE 104 CO 0.04 0.91 0.26 0.00 -2.23 0.00 0.00 178.31 177.29 3dfy h ALA 105 N 0.77 1.87 -0.36 2.41 0.00 -1.06 0.31 119.26 123.20 3dfy h ALA 105 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dfy h ALA 105 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dfy h ALA 105 CO 0.05 0.07 0.09 1.15 0.00 0.00 0.00 179.25 180.62 3dfy h THR 106 N 0.40 1.22 -0.34 0.00 2.02 -1.07 -0.84 112.91 114.31 3dfy h THR 106 Ca 0.16 -0.75 -0.16 0.00 0.77 0.00 0.00 66.41 66.43 3dfy h THR 106 Cb 0.15 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3dfy h THR 106 CO -0.04 0.26 -0.43 -0.07 0.37 0.00 0.00 175.52 175.61 3dfy h LEU 107 N 0.44 0.93 -0.50 2.58 3.38 -0.81 -0.07 115.31 121.26 3dfy h LEU 107 Ca 0.11 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3dfy h LEU 107 Cb 0.30 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3dfy h LEU 107 CO 0.00 1.22 0.27 -0.78 0.09 0.00 0.00 178.44 179.24 3dfy h ASP 108 N 0.70 0.40 -0.31 -0.43 3.58 -0.31 0.32 116.42 120.38 3dfy h ASP 108 Ca 0.05 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 3dfy h ASP 108 Cb 1.01 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 3dfy h ASP 108 CO 0.10 0.28 0.04 0.00 -2.88 0.00 0.00 179.24 176.78 3dfy h ALA 109 N 1.26 0.41 -0.35 -0.78 0.00 -0.99 -2.72 119.26 116.09 3dfy h ALA 109 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dfy h ALA 109 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dfy h ALA 109 CO -0.14 0.11 0.16 1.25 0.00 0.00 0.00 179.25 180.63 3dfy h LEU 110 N 0.34 0.46 -2.06 0.00 5.85 -0.49 -2.22 115.31 117.19 3dfy h LEU 110 Ca 0.09 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3dfy h LEU 110 Cb 0.36 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3dfy h LEU 110 CO 0.01 0.48 -0.06 0.77 -0.34 0.00 0.00 178.44 179.30 3dfy h SER 111 N 0.42 0.00 -0.13 1.25 4.64 -0.33 0.22 113.55 119.61 3dfy h SER 111 Ca 0.12 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 3dfy h SER 111 Cb 0.14 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3dfy h SER 111 CO -0.01 0.06 -0.51 1.56 -0.87 0.00 0.00 176.83 177.05 3dfy h GLN 112 N 0.00 0.58 0.00 4.77 4.20 -1.13 0.12 115.11 123.66 3dfy h GLN 112 Ca -0.00 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 3dfy h GLN 112 Cb 0.11 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3dfy h GLN 112 CO 0.01 1.07 -0.08 0.93 -0.67 0.00 0.00 178.83 180.09 3dfy h GLU 113 N 0.22 0.00 -0.01 1.46 5.08 -0.72 -1.96 114.58 118.65 3dfy h GLU 113 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dfy h GLU 113 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3dfy h GLU 113 CO 0.11 0.08 -0.19 1.28 -1.00 0.00 0.00 179.01 179.29 3dfy n LEU 114 N -3.26 1.56 -1.36 1.33 4.77 -0.03 -4.96 117.00 115.05 3dfy n LEU 114 Ca -0.00 -0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 55.37 3dfy n LEU 114 Cb 0.30 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3dfy n LEU 114 CO 0.28 0.28 -0.08 0.61 -1.33 0.00 0.00 177.39 177.15 3dfy n GLY 115 N 1.30 0.00 0.00 -0.72 0.00 -0.65 -5.01 105.19 100.12 3dfy n GLY 115 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3dfy n GLY 115 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dfy n THR 116 N -3.95 0.00 -4.34 2.61 5.66 0.32 -5.03 114.28 109.54 3dfy n THR 116 Ca -0.09 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.67 3dfy n THR 116 Cb 0.58 0.00 -0.08 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 -0.69 2.08 0.20 1.09 -0.21 -1.26 -4.07 119.66 116.79 3dfy s GLN 117 Ca 0.00 -1.61 -0.11 0.00 0.02 0.00 0.00 55.36 53.66 3dfy s GLN 117 Cb 0.00 -1.99 0.19 0.00 1.00 0.00 0.00 33.01 32.21 3dfy s GLN 117 CO 0.00 0.27 1.81 0.28 -2.12 0.00 0.00 175.29 175.53 3dfy h VAL 118 N 1.94 0.99 -0.88 1.09 2.07 -1.91 -2.03 116.25 117.51 3dfy h VAL 118 Ca -0.43 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 66.97 3dfy h VAL 118 Cb 1.25 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 3dfy h VAL 118 CO 0.62 0.12 0.53 0.00 0.02 0.00 0.00 177.57 178.86 3dfy h TYR 120 N 0.87 0.17 -0.32 0.00 0.05 -1.80 0.85 116.97 116.79 3dfy h TYR 120 Ca 0.43 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 59.10 3dfy h TYR 120 Cb 0.38 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 3dfy h TYR 120 CO -0.04 0.68 0.02 1.25 -1.05 0.00 0.00 178.16 179.01 3dfy h LEU 121 N 0.10 0.45 -0.66 3.88 5.85 -0.40 -1.47 115.31 123.07 3dfy h LEU 121 Ca -0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3dfy h LEU 121 Cb 1.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3dfy h LEU 121 CO 0.08 0.51 0.00 0.18 -0.34 0.00 0.00 178.44 178.87 3dfy n LEU 122 N -4.31 0.99 0.00 2.25 4.77 -0.26 -4.90 117.00 115.55 3dfy n LEU 122 Ca 0.01 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3dfy n LEU 122 Cb 0.22 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3dfy n LEU 122 CO 0.38 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3dfy n GLY 123 N 1.02 1.95 4.12 -0.72 0.00 -0.55 -3.95 105.19 107.06 3dfy n GLY 123 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.26 0.17 -0.02 0.00 0.25 -4.86 105.19 100.46 3dfy n GLY 124 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3dfy n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dfy h LYS 125 N -1.89 0.50 -5.98 1.61 1.63 -1.06 -3.46 116.57 107.92 3dfy h LYS 125 Ca -0.65 -0.23 -0.54 0.00 -0.85 0.00 0.00 60.65 58.38 3dfy h LYS 125 Cb 1.39 -0.01 -0.17 0.00 -0.60 0.00 0.00 32.23 32.84 3dfy h LYS 125 CO 0.65 0.78 -0.77 1.03 -3.45 0.00 0.00 179.45 177.68 3dfy s ARG 126 N -4.56 1.37 -0.01 1.90 0.52 0.29 -4.97 118.95 113.49 3dfy s ARG 126 Ca -0.13 -1.51 0.17 0.00 -0.52 0.00 0.00 55.73 53.73 3dfy s ARG 126 Cb 0.07 -1.41 -0.21 0.00 0.52 0.00 0.00 34.95 33.92 3dfy s ARG 126 CO 0.78 0.28 0.59 -0.25 0.02 0.00 0.00 175.30 176.71 3dfy n ASP 127 N 0.03 0.89 -3.72 0.23 8.00 -1.26 -4.60 116.55 116.12 3dfy n ASP 127 Ca -0.11 -0.59 -0.14 0.00 0.71 0.00 0.00 54.79 54.66 3dfy n ASP 127 Cb 0.58 1.26 -0.09 0.00 -0.02 0.00 0.00 41.12 42.85 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 -2.76 0.65 0.15 -1.24 2.12 -1.26 -3.69 118.70 112.66 3dfy s GLU 128 Ca 0.02 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.47 3dfy s GLU 128 Cb 0.12 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 3dfy s GLU 128 CO 0.69 -0.16 0.03 0.96 -0.54 0.00 0.00 175.26 176.24 3dfy s ILE 129 N -0.78 0.35 -0.07 -3.70 -4.36 -0.73 -5.00 121.20 106.90 3dfy s ILE 129 Ca -0.09 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 3dfy s ILE 129 Cb -0.04 -2.06 0.01 0.00 1.25 0.00 0.00 42.46 41.62 3dfy s ILE 129 CO 0.04 -0.48 -0.14 -0.70 0.24 0.00 0.00 174.94 173.90 3dfy s GLU 130 N -3.99 1.90 0.18 0.37 2.12 -1.26 -1.52 118.70 116.50 3dfy s GLU 130 Ca 0.24 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.13 3dfy s GLU 130 Cb 0.07 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.87 3dfy s GLU 130 CO 0.02 0.03 0.28 -0.08 -0.54 0.00 0.00 175.26 174.98 3dfy s THR 131 N 0.68 5.16 0.62 -1.70 -1.32 0.07 -3.68 115.64 115.48 3dfy s THR 131 Ca -0.14 -0.86 0.03 0.00 -1.21 0.00 0.00 61.69 59.51 3dfy s THR 131 Cb -0.16 -3.71 0.12 0.00 -1.51 0.00 0.00 72.50 67.24 3dfy s THR 131 CO 0.04 -0.18 0.86 -0.90 -2.21 0.00 0.00 174.62 172.23 3dfy n ASP 132 N -0.81 1.49 -4.03 8.08 5.68 -0.29 -4.75 116.55 121.92 3dfy n ASP 132 Ca -0.08 -2.18 -0.15 0.00 -0.50 0.00 0.00 54.79 51.88 3dfy n ASP 132 Cb 0.55 -0.53 -0.13 0.00 -1.14 0.00 0.00 41.12 39.88 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 -4.73 0.54 -0.02 0.11 2.20 -1.16 -4.42 119.74 112.26 3dfy s LYS 133 Ca 0.59 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 55.49 3dfy s LYS 133 Cb -0.04 -0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 35.81 3dfy s LYS 133 CO 0.39 0.09 0.43 0.99 -0.36 0.00 0.00 175.35 176.89 3dfy s THR 134 N -0.86 5.05 -0.44 3.43 2.01 -1.26 -1.87 115.64 121.70 3dfy s THR 134 Ca -0.04 0.88 -0.10 0.00 0.31 0.00 0.00 61.69 62.74 3dfy s THR 134 Cb -0.07 -3.74 0.09 0.00 0.01 0.00 0.00 72.50 68.79 3dfy s THR 134 CO 0.00 0.52 0.30 -0.69 -0.69 0.00 0.00 174.62 174.06 3dfy s VAL 135 N -0.67 4.33 1.10 3.82 1.01 0.84 -4.96 120.40 125.87 3dfy s VAL 135 Ca 0.24 -1.47 -0.18 0.00 0.00 0.00 0.00 61.98 60.57 3dfy s VAL 135 Cb -0.16 -3.70 0.25 0.00 0.00 0.00 0.00 36.38 32.77 3dfy s VAL 135 CO 0.13 -0.59 1.21 -0.83 0.00 0.00 0.00 175.10 175.02 3dfy s GLY 136 N 2.33 1.68 0.01 4.51 0.00 -1.26 -2.18 107.32 112.41 3dfy s GLY 136 Ca 0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 3dfy s GLY 136 CO 0.02 -0.24 1.23 -0.42 0.00 0.00 0.00 173.10 173.68 3dfy s ILE 137 N -3.42 4.06 0.20 0.90 1.01 -1.26 -4.76 121.20 117.93 3dfy s ILE 137 Ca 0.73 1.45 -0.19 0.00 0.00 0.00 0.00 60.65 62.64 3dfy s ILE 137 Cb -0.07 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.54 3dfy s ILE 137 CO 0.55 0.06 0.91 -0.67 0.00 0.00 0.00 174.94 175.78 3dfy n ASP 138 N 4.55 -1.68 -4.74 3.58 -0.08 -1.26 -5.06 116.55 111.86 3dfy n ASP 138 Ca 0.10 -1.94 -0.36 0.00 -1.51 0.00 0.00 54.79 51.08 3dfy n ASP 138 Cb 0.46 2.74 0.06 0.00 2.34 0.00 0.00 41.12 46.73 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 -2.12 2.28 0.41 5.18 -4.23 -1.26 -4.66 115.64 111.24 3dfy s THR 139 Ca 0.20 0.16 0.21 0.00 -1.18 0.00 0.00 61.69 61.08 3dfy s THR 139 Cb -0.03 -2.98 0.41 0.00 1.34 0.00 0.00 72.50 71.25 3dfy s THR 139 CO 0.06 -0.05 1.75 0.58 -0.54 0.00 0.00 174.62 176.43 3dfy h VAL 140 N 0.43 0.46 0.33 2.29 2.07 -1.99 0.56 116.25 120.40 3dfy h VAL 140 Ca -0.50 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3dfy h VAL 140 Cb 1.31 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3dfy h VAL 140 CO 0.53 0.06 -0.16 -0.33 0.02 0.00 0.00 177.57 177.69 3dfy h GLU 141 N 0.33 -0.43 -0.38 1.57 5.08 -2.00 -1.91 114.58 116.84 3dfy h GLU 141 Ca 0.62 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.98 3dfy h GLU 141 Cb 1.69 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 3dfy h GLU 141 CO -0.30 -0.14 0.09 -0.91 -1.00 0.00 0.00 179.01 176.76 3dfy h ASN 142 N -0.71 0.52 0.74 1.42 2.35 -1.60 -1.38 115.58 116.91 3dfy h ASN 142 Ca -0.05 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3dfy h ASN 142 Cb 0.49 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3dfy h ASN 142 CO 0.07 0.52 -0.41 0.03 -1.65 0.00 0.00 177.43 176.00 3dfy h ARG 143 N 0.55 -1.02 -0.89 0.81 3.08 -0.86 -0.06 114.38 115.99 3dfy h ARG 143 Ca 0.13 0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.35 3dfy h ARG 143 Cb 0.21 0.23 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 3dfy h ARG 143 CO -0.00 -0.68 0.57 -0.24 -1.07 0.00 0.00 179.97 178.55 3dfy h VAL 144 N -1.06 0.94 -0.77 2.04 3.04 -1.26 0.85 116.25 120.03 3dfy h VAL 144 Ca -0.10 -0.29 -0.04 0.00 -1.01 0.00 0.00 66.70 65.26 3dfy h VAL 144 Cb 0.83 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.10 3dfy h VAL 144 CO 0.13 0.16 0.34 0.50 -1.01 0.00 0.00 177.57 177.69 3dfy h LYS 145 N 0.85 1.13 -0.32 4.17 3.11 -1.02 -1.08 116.57 123.41 3dfy h LYS 145 Ca 0.42 -0.18 -0.12 0.00 -2.81 0.00 0.00 60.65 57.96 3dfy h LYS 145 Cb 0.46 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 3dfy h LYS 145 CO -0.18 0.89 -0.26 1.49 -2.81 0.00 0.00 179.45 178.58 3dfy h GLU 146 N 1.11 0.75 -0.79 1.90 4.81 0.83 -2.57 114.58 120.63 3dfy h GLU 146 Ca 0.26 -0.37 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3dfy h GLU 146 Cb 0.16 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3dfy h GLU 146 CO -0.03 0.99 0.46 0.00 -0.73 0.00 0.00 179.01 179.71 3dfy h ALA 147 N 0.74 1.10 -0.51 2.92 0.00 -0.39 0.01 119.26 123.13 3dfy h ALA 147 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dfy h ALA 147 Cb 0.83 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3dfy h ALA 147 CO 0.07 0.13 0.22 0.87 0.00 0.00 0.00 179.25 180.54 3dfy h LYS 148 N 0.81 0.75 0.00 0.00 1.57 -1.10 0.82 116.57 119.42 3dfy h LYS 148 Ca 0.36 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3dfy h LYS 148 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3dfy h LYS 148 CO -0.21 0.65 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.08 3dfy h LYS 149 N 0.68 -0.05 -0.07 3.15 3.64 -0.94 0.34 116.57 123.32 3dfy h LYS 149 Ca 0.17 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3dfy h LYS 149 Cb 0.17 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3dfy h LYS 149 CO -0.02 -0.03 -0.02 0.82 -2.27 0.00 0.00 179.45 177.93 3dfy h ILE 150 N -0.05 0.93 -0.88 2.00 2.04 -0.82 -1.32 117.51 119.41 3dfy h ILE 150 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3dfy h ILE 150 Cb 0.06 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3dfy h ILE 150 CO -0.02 0.00 0.57 0.15 0.00 0.00 0.00 178.15 178.85 3dfy h PHE 151 N -0.00 1.03 -0.67 1.37 3.57 -0.65 -1.86 116.94 119.74 3dfy h PHE 151 Ca 0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3dfy h PHE 151 Cb 0.05 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 3dfy h PHE 151 CO -0.13 0.57 0.17 1.49 -2.23 0.00 0.00 178.31 178.18 3dfy h GLU 152 N 1.04 1.06 0.00 1.11 4.81 -0.27 -2.46 114.58 119.88 3dfy h GLU 152 Ca 0.36 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3dfy h GLU 152 Cb 0.11 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3dfy h GLU 152 CO -0.12 0.93 0.00 0.39 -0.73 0.00 0.00 179.01 179.48 3dfy n GLU 153 N -4.24 0.37 0.00 1.92 1.02 -0.56 -4.84 120.64 114.30 3dfy n GLU 153 Ca 0.05 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3dfy n GLU 153 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.09 0.62 3.70 0.62 0.00 -0.92 -4.65 105.19 104.65 3dfy n GLY 154 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3dfy n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfy s PHE 155 N -2.00 3.15 -0.83 1.61 0.08 -1.13 -4.73 117.98 114.12 3dfy s PHE 155 Ca 0.00 1.06 0.08 0.00 0.12 0.00 0.00 56.93 58.20 3dfy s PHE 155 Cb 0.00 -3.54 0.19 0.00 -0.57 0.00 0.00 43.02 39.10 3dfy s PHE 155 CO 0.00 -1.85 1.07 0.54 -0.10 0.00 0.00 175.22 174.88 3dfy n ARG 156 N 4.74 2.09 -3.82 0.44 5.12 -1.26 -4.41 116.66 119.55 3dfy n ARG 156 Ca 0.11 -1.66 -0.26 0.00 -1.93 0.00 0.00 57.85 54.11 3dfy n ARG 156 Cb 0.45 -1.20 -0.17 0.00 -1.16 0.00 0.00 32.46 30.38 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 -0.92 0.75 -0.14 1.55 1.01 -1.26 -0.64 120.40 120.75 3dfy s VAL 157 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3dfy s VAL 157 Cb 0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3dfy s VAL 157 CO 0.12 0.13 -0.14 -0.63 0.00 0.00 0.00 175.10 174.58 3dfy s ILE 158 N 1.79 2.83 -0.19 2.22 1.01 -0.14 -2.96 121.20 125.77 3dfy s ILE 158 Ca 0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 3dfy s ILE 158 Cb -0.14 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3dfy s ILE 158 CO -0.07 0.52 0.40 -0.75 0.00 0.00 0.00 174.94 175.04 3dfy s LYS 159 N 0.63 4.19 -0.21 2.79 2.20 -0.78 -1.49 119.74 127.07 3dfy s LYS 159 Ca -0.08 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.74 3dfy s LYS 159 Cb -0.16 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 3dfy s LYS 159 CO 0.03 -0.01 -0.10 0.42 -0.36 0.00 0.00 175.35 175.33 3dfy s ILE 160 N 1.22 2.86 0.00 5.43 1.01 0.12 -0.11 121.20 131.73 3dfy s ILE 160 Ca 0.20 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 3dfy s ILE 160 Cb -0.15 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 3dfy s ILE 160 CO 0.08 0.43 0.65 -0.54 0.00 0.00 0.00 174.94 175.57 3dfy s LYS 161 N 1.40 4.38 0.00 2.79 1.02 -0.93 -1.67 119.74 126.73 3dfy s LYS 161 Ca 0.05 0.84 0.00 0.00 0.02 0.00 0.00 55.97 56.88 3dfy s LYS 161 Cb -0.14 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 3dfy s LYS 161 CO -0.07 0.31 0.00 1.33 -0.92 0.00 0.00 175.35 176.01 3dfy n VAL 162 N 2.85 0.00 0.00 3.17 0.24 -0.75 -4.49 118.33 119.35 3dfy n VAL 162 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3dfy n VAL 162 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 1.97 0.30 7.63 0.00 -1.26 -4.20 105.19 109.63 3dfy n GLY 163 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3dfy n GLY 163 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dfy n GLU 164 N 0.00 1.85 -3.22 1.61 0.28 -1.26 -4.23 120.64 115.66 3dfy n GLU 164 Ca 0.00 -0.71 -0.07 0.00 -0.16 0.00 0.00 57.16 56.22 3dfy n GLU 164 Cb 0.00 -1.20 -0.03 0.00 1.43 0.00 0.00 31.44 31.64 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 -1.70 -0.50 0.18 -1.84 3.84 -1.26 -5.05 114.94 108.59 3dfy s ASN 165 Ca 0.11 -1.24 -0.26 0.00 0.21 0.00 0.00 52.86 51.68 3dfy s ASN 165 Cb 0.11 1.40 0.03 0.00 -0.55 0.00 0.00 41.25 42.24 3dfy s ASN 165 CO 0.35 -0.19 1.55 0.25 -2.79 0.00 0.00 177.10 176.28 3dfy h LEU 166 N 6.76 -1.76 -0.68 3.21 5.85 -1.98 0.62 115.31 127.34 3dfy h LEU 166 Ca 0.06 0.29 0.02 0.00 0.84 0.00 0.00 57.88 59.09 3dfy h LEU 166 Cb 1.12 0.81 -0.04 0.00 0.37 0.00 0.00 40.66 42.92 3dfy h LEU 166 CO 0.13 -0.29 0.43 0.50 -0.34 0.00 0.00 178.44 178.87 3dfy h LYS 167 N -0.11 0.83 -0.01 1.25 3.64 -2.00 -1.22 116.57 118.95 3dfy h LYS 167 Ca 0.20 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 3dfy h LYS 167 Cb 0.52 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3dfy h LYS 167 CO -0.84 0.55 -0.68 0.93 -2.27 0.00 0.00 179.45 177.15 3dfy h GLU 168 N 0.86 0.07 -0.47 1.90 5.08 -1.67 -2.87 114.58 117.48 3dfy h GLU 168 Ca 0.26 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3dfy h GLU 168 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3dfy h GLU 168 CO -0.09 0.72 0.05 -0.44 -1.00 0.00 0.00 179.01 178.25 3dfy h ASP 169 N 0.05 0.77 -0.52 1.42 3.32 0.72 -0.58 116.42 121.60 3dfy h ASP 169 Ca -0.01 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3dfy h ASP 169 Cb 1.20 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 3dfy h ASP 169 CO 0.09 0.86 0.33 0.40 -1.72 0.00 0.00 179.24 179.20 3dfy h ILE 170 N 0.65 1.15 -0.72 0.35 2.04 -1.20 -1.96 117.51 117.82 3dfy h ILE 170 Ca 0.14 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3dfy h ILE 170 Cb 0.43 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3dfy h ILE 170 CO 0.02 0.15 0.30 -0.08 0.00 0.00 0.00 178.15 178.53 3dfy h GLU 171 N 0.70 1.07 -0.59 2.37 4.81 -1.31 -2.55 114.58 119.08 3dfy h GLU 171 Ca 0.19 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3dfy h GLU 171 Cb -0.05 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3dfy h GLU 171 CO -0.04 0.87 0.24 0.00 -0.73 0.00 0.00 179.01 179.36 3dfy h ALA 172 N 1.15 0.76 -0.63 2.92 0.00 -0.71 -1.36 119.26 121.38 3dfy h ALA 172 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3dfy h ALA 172 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dfy h ALA 172 CO -0.02 0.37 0.09 0.28 0.00 0.00 0.00 179.25 179.96 3dfy h VAL 173 N 0.81 1.26 -0.26 0.00 2.07 -1.25 -0.78 116.25 118.10 3dfy h VAL 173 Ca 0.20 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3dfy h VAL 173 Cb 0.19 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3dfy h VAL 173 CO -0.02 0.39 0.12 -0.08 0.02 0.00 0.00 177.57 178.00 3dfy h GLU 174 N 0.97 0.38 -0.60 1.57 4.81 -1.23 -0.25 114.58 120.23 3dfy h GLU 174 Ca 0.19 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3dfy h GLU 174 Cb 0.45 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3dfy h GLU 174 CO 0.02 0.39 0.19 0.93 -0.73 0.00 0.00 179.01 179.81 3dfy h GLU 175 N 0.28 0.91 -0.33 1.92 4.39 -1.10 -1.84 114.58 118.82 3dfy h GLU 175 Ca 0.09 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 3dfy h GLU 175 Cb 0.14 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3dfy h GLU 175 CO -0.01 0.78 -0.37 0.82 -1.16 0.00 0.00 179.01 179.07 3dfy h ILE 176 N 0.88 1.28 -0.46 3.13 2.04 -0.89 -2.98 117.51 120.50 3dfy h ILE 176 Ca 0.20 -1.54 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 3dfy h ILE 176 Cb 0.25 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3dfy h ILE 176 CO -0.01 0.50 0.04 0.00 0.00 0.00 0.00 178.15 178.68 3dfy h ALA 177 N 0.94 1.20 -0.66 1.87 0.00 -0.66 -2.83 119.26 119.13 3dfy h ALA 177 Ca 0.06 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dfy h ALA 177 Cb 0.92 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3dfy h ALA 177 CO 0.08 0.53 0.40 0.87 0.00 0.00 0.00 179.25 181.13 3dfy h LYS 178 N 0.70 0.74 -0.61 0.00 1.57 -1.19 -2.86 116.57 114.92 3dfy h LYS 178 Ca 0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3dfy h LYS 178 Cb 0.38 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3dfy h LYS 178 CO 0.01 0.49 0.00 1.33 -0.57 0.00 0.00 179.45 180.71 3dfy n VAL 179 N -4.72 1.23 -2.44 0.50 0.24 -1.13 -4.26 118.33 107.75 3dfy n VAL 179 Ca 0.07 -0.88 0.03 0.00 -2.04 0.00 0.00 64.34 61.53 3dfy n VAL 179 Cb 0.11 0.15 0.01 0.00 -1.47 0.00 0.00 33.84 32.64 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 0.95 0.00 -1.63 3.34 -2.24 -1.08 -4.72 114.28 108.90 3dfy n THR 180 Ca 0.20 -0.88 -0.49 0.00 -2.27 0.00 0.00 64.05 60.61 3dfy n THR 180 Cb 0.65 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.44 1.62 0.00 -0.78 1.74 -1.16 -1.76 116.66 116.76 3dfy n ARG 181 Ca 0.04 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 3dfy n ARG 181 Cb 1.09 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.85 3.87 -0.13 0.00 -1.26 -5.09 105.19 106.41 3dfy n GLY 182 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 3.74 0.16 4.61 0.00 -0.72 -4.99 121.76 122.56 3dfy s ALA 183 Ca 0.00 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.57 3dfy s ALA 183 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3dfy s ALA 183 CO 0.00 0.19 0.21 0.15 0.00 0.00 0.00 175.76 176.31 3dfy s LYS 184 N -3.92 3.17 -0.04 0.00 1.02 0.19 -4.98 119.74 115.18 3dfy s LYS 184 Ca 0.35 -0.75 0.06 0.00 0.02 0.00 0.00 55.97 55.65 3dfy s LYS 184 Cb -0.08 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3dfy s LYS 184 CO 0.26 0.50 -0.22 0.71 -0.92 0.00 0.00 175.35 175.68 3dfy s TYR 185 N -1.77 2.09 -0.20 3.18 2.02 -1.26 -0.96 117.35 120.45 3dfy s TYR 185 Ca 0.33 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3dfy s TYR 185 Cb -0.10 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 3dfy s TYR 185 CO 0.26 -0.14 -0.16 0.42 -1.57 0.00 0.00 175.55 174.36 3dfy s ILE 186 N -0.23 2.32 -0.22 2.71 1.01 -0.55 0.02 121.20 126.25 3dfy s ILE 186 Ca 0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 3dfy s ILE 186 Cb -0.11 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3dfy s ILE 186 CO 0.02 0.44 0.01 -0.69 0.00 0.00 0.00 174.94 174.72 3dfy s VAL 187 N 1.30 3.88 -0.34 2.92 1.01 -0.33 0.13 120.40 128.97 3dfy s VAL 187 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3dfy s VAL 187 Cb -0.14 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.50 3dfy s VAL 187 CO -0.10 0.40 0.11 -0.62 0.00 0.00 0.00 175.10 174.88 3dfy s ASP 188 N 1.38 5.28 0.00 3.32 -1.08 -0.67 0.04 116.67 124.93 3dfy s ASP 188 Ca 0.05 -1.23 0.29 0.00 -0.52 0.00 0.00 52.55 51.14 3dfy s ASP 188 Cb -0.15 -1.85 1.33 0.00 -1.46 0.00 0.00 42.92 40.79 3dfy s ASP 188 CO 0.01 -0.34 1.91 0.00 0.52 0.00 0.00 175.17 177.27 3dfy n ALA 189 N 4.78 2.71 -4.22 3.66 0.00 -0.96 -1.80 120.51 124.68 3dfy n ALA 189 Ca -0.12 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 3dfy n ALA 189 Cb 0.44 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.72 0.48 -1.06 0.00 4.13 -1.20 -1.38 115.26 115.51 3dfy n ASN 190 Ca 0.17 -1.20 -0.14 0.00 1.68 0.00 0.00 54.58 55.10 3dfy n ASN 190 Cb 0.26 -2.03 -0.06 0.00 -1.54 0.00 0.00 39.78 36.41 3dfy n ASN 190 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3dfy n MET 191 N -4.52 -1.46 0.07 3.52 2.81 0.21 -4.89 117.12 112.87 3dfy n MET 191 Ca -0.31 0.98 0.13 0.00 -1.81 0.00 0.00 57.70 56.69 3dfy n MET 191 Cb 0.69 -5.30 0.40 0.00 -0.71 0.00 0.00 33.22 28.30 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 -0.29 -1.60 3.81 3.03 0.00 -0.48 -4.23 105.19 105.43 3dfy n GLY 192 Ca -0.14 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.09 3.15 0.76 1.61 2.02 -0.18 -4.79 117.35 116.83 3dfy s TYR 193 Ca 0.11 -0.03 -0.08 0.00 -0.37 0.00 0.00 57.07 56.69 3dfy s TYR 193 Cb 0.14 -1.50 0.09 0.00 -0.40 0.00 0.00 41.96 40.29 3dfy s TYR 193 CO 0.61 0.52 1.08 0.95 -1.57 0.00 0.00 175.55 177.14 3dfy s THR 194 N -1.82 2.18 0.11 -0.71 -4.23 -1.26 -4.14 115.64 105.78 3dfy s THR 194 Ca 0.31 -0.23 -0.25 0.00 -1.18 0.00 0.00 61.69 60.35 3dfy s THR 194 Cb -0.10 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.71 3dfy s THR 194 CO 0.24 0.00 1.66 1.56 -0.54 0.00 0.00 174.62 177.54 3dfy h GLN 195 N -0.81 -0.31 -0.60 3.99 4.20 -1.93 0.35 115.11 120.01 3dfy h GLN 195 Ca -0.44 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 3dfy h GLN 195 Cb 1.30 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 3dfy h GLN 195 CO 0.56 -0.20 0.27 0.87 -0.67 0.00 0.00 178.83 179.65 3dfy h LYS 196 N -0.32 0.85 -0.35 1.46 6.56 -1.98 -1.27 116.57 121.53 3dfy h LYS 196 Ca 0.04 -0.12 -0.14 0.00 -1.06 0.00 0.00 60.65 59.37 3dfy h LYS 196 Cb 0.37 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 3dfy h LYS 196 CO -0.14 0.68 -0.35 0.93 -2.06 0.00 0.00 179.45 178.51 3dfy h GLU 197 N 0.85 0.85 -0.92 3.15 5.08 -1.87 -1.31 114.58 120.40 3dfy h GLU 197 Ca 0.21 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3dfy h GLU 197 Cb 0.12 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3dfy h GLU 197 CO -0.02 1.09 0.55 0.00 -1.00 0.00 0.00 179.01 179.62 3dfy h ALA 198 N 0.74 1.23 -0.29 3.43 0.00 -0.45 0.33 119.26 124.24 3dfy h ALA 198 Ca 0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3dfy h ALA 198 Cb 0.93 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dfy h ALA 198 CO 0.09 0.66 -0.34 0.28 0.00 0.00 0.00 179.25 179.93 3dfy h VAL 199 N 1.28 1.30 -0.89 0.00 2.07 -1.13 -2.88 116.25 115.99 3dfy h VAL 199 Ca 0.33 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3dfy h VAL 199 Cb -0.04 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3dfy h VAL 199 CO -0.06 0.49 0.49 -0.08 0.02 0.00 0.00 177.57 178.43 3dfy h GLU 200 N 0.51 1.24 -0.10 1.57 4.57 -0.79 -1.11 114.58 120.46 3dfy h GLU 200 Ca 0.04 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3dfy h GLU 200 Cb 0.93 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 3dfy h GLU 200 CO 0.08 0.90 0.00 0.35 -1.18 0.00 0.00 179.01 179.17 3dfy h PHE 201 N 1.25 0.00 -0.12 0.92 3.57 -0.89 -0.93 116.94 120.74 3dfy h PHE 201 Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3dfy h PHE 201 Cb 0.02 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3dfy h PHE 201 CO 0.01 -0.01 0.08 0.00 -2.23 0.00 0.00 178.31 176.16 3dfy h ALA 202 N 1.08 0.16 -0.60 2.41 0.00 -1.24 -2.21 119.26 118.85 3dfy h ALA 202 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dfy h ALA 202 Cb 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dfy h ALA 202 CO -0.08 -0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.14 3dfy h ARG 203 N 0.17 0.85 -0.10 0.00 3.08 -1.07 -0.34 114.38 116.97 3dfy h ARG 203 Ca 0.04 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3dfy h ARG 203 Cb -0.02 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 3dfy h ARG 203 CO -0.01 0.66 0.05 0.00 -1.07 0.00 0.00 179.97 179.60 3dfy h ALA 204 N 1.15 0.13 -0.71 0.04 0.00 -1.10 0.23 119.26 119.00 3dfy h ALA 204 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3dfy h ALA 204 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3dfy h ALA 204 CO -0.03 -0.33 0.46 0.28 0.00 0.00 0.00 179.25 179.63 3dfy h VAL 205 N 0.06 1.14 -0.68 0.00 2.07 -1.27 -2.56 116.25 115.01 3dfy h VAL 205 Ca 0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dfy h VAL 205 Cb 0.08 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3dfy h VAL 205 CO -0.01 0.17 0.43 0.22 0.02 0.00 0.00 177.57 178.40 3dfy h TYR 206 N 0.92 0.88 0.00 1.57 3.20 -0.63 -2.09 116.97 120.82 3dfy h TYR 206 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3dfy h TYR 206 Cb -0.05 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.93 3dfy h TYR 206 CO -0.03 0.58 0.00 1.04 -1.64 0.00 0.00 178.16 178.11 3dfy n GLN 207 N -4.58 0.13 -0.42 1.82 1.13 0.03 -1.27 117.38 114.22 3dfy n GLN 207 Ca 0.06 0.48 0.08 0.00 -1.94 0.00 0.00 57.00 55.68 3dfy n GLN 207 Cb 0.04 -1.80 0.28 0.00 0.11 0.00 0.00 30.24 28.86 3dfy n GLN 207 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3dfy n LYS 208 N -2.05 2.86 -1.04 -1.09 5.02 -0.80 -4.91 118.16 116.15 3dfy n LYS 208 Ca 0.01 -2.25 -0.01 0.00 -2.02 0.00 0.00 58.31 54.04 3dfy n LYS 208 Cb 0.13 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.49 3dfy n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfy n GLY 209 N 1.18 0.40 3.82 0.72 0.00 -0.40 -5.00 105.19 105.92 3dfy n GLY 209 Ca 0.21 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.67 4.97 -0.11 -0.61 1.01 -1.12 -5.05 121.20 118.62 3dfy s ILE 210 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3dfy s ILE 210 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3dfy s ILE 210 CO 0.00 0.55 -0.11 -0.62 0.00 0.00 0.00 174.94 174.76 3dfy s ASP 211 N -0.92 4.19 -0.25 3.58 2.15 -1.26 -4.10 116.67 120.06 3dfy s ASP 211 Ca 0.25 -0.24 -0.06 0.00 0.43 0.00 0.00 52.55 52.93 3dfy s ASP 211 Cb -0.17 -1.44 -0.01 0.00 -0.30 0.00 0.00 42.92 40.99 3dfy s ASP 211 CO 0.14 0.22 0.03 -0.63 -0.17 0.00 0.00 175.17 174.76 3dfy s ILE 212 N 0.03 3.84 0.21 4.11 1.01 -1.26 -4.30 121.20 124.83 3dfy s ILE 212 Ca -0.03 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3dfy s ILE 212 Cb -0.14 -2.84 0.16 0.00 0.01 0.00 0.00 42.46 39.65 3dfy s ILE 212 CO 0.04 0.29 1.78 0.00 0.00 0.00 0.00 174.94 177.06 3dfy h ALA 213 N 8.19 1.03 -2.87 9.38 0.00 -0.79 -3.39 119.26 130.81 3dfy h ALA 213 Ca -0.37 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 3dfy h ALA 213 Cb 1.15 -0.31 -0.30 0.00 0.00 0.00 0.00 17.79 18.33 3dfy h ALA 213 CO 0.59 0.64 -0.47 0.08 0.00 0.00 0.00 179.25 180.09 3dfy s VAL 214 N -5.59 -0.25 -0.56 0.00 1.01 -1.21 -4.39 120.40 109.41 3dfy s VAL 214 Ca -0.12 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 3dfy s VAL 214 Cb 0.16 -0.46 0.14 0.00 0.00 0.00 0.00 36.38 36.22 3dfy s VAL 214 CO 0.83 0.08 0.45 -0.47 0.00 0.00 0.00 175.10 176.00 3dfy s TYR 215 N 1.89 3.45 -0.03 5.22 5.04 0.41 -1.18 117.35 132.16 3dfy s TYR 215 Ca -0.04 -1.93 -0.30 0.00 -2.44 0.00 0.00 57.07 52.37 3dfy s TYR 215 Cb -0.11 -3.56 -0.03 0.00 0.35 0.00 0.00 41.96 38.62 3dfy s TYR 215 CO -0.09 -0.98 0.97 -2.00 -1.34 0.00 0.00 175.55 172.11 3dfy s GLU 216 N 1.01 4.52 -0.10 4.97 2.12 0.11 -1.01 118.70 130.32 3dfy s GLU 216 Ca 0.09 1.39 -0.01 0.00 0.36 0.00 0.00 54.97 56.79 3dfy s GLU 216 Cb -0.23 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3dfy s GLU 216 CO -0.02 -0.10 0.08 0.94 -0.54 0.00 0.00 175.26 175.62 3dfy n GLN 217 N 4.14 -0.22 0.20 4.30 -0.06 0.95 -2.26 117.38 124.43 3dfy n GLN 217 Ca 0.06 0.12 0.08 0.00 -2.00 0.00 0.00 57.00 55.26 3dfy n GLN 217 Cb 0.51 -0.29 0.28 0.00 -4.06 0.00 0.00 30.24 26.68 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 0.69 0.00 -5.75 3.69 0.13 -1.84 0.63 132.00 129.56 3dfy h PRO 218 Ca -0.08 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.44 3dfy h PRO 218 Cb 0.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.25 3dfy h PRO 218 CO 0.04 0.28 -0.34 0.14 -0.23 0.00 0.00 178.00 177.89 3dfy s VAL 219 N -3.36 1.47 0.62 1.56 -7.23 -1.26 -1.01 120.40 111.19 3dfy s VAL 219 Ca 0.03 -1.60 -0.18 0.00 -1.81 0.00 0.00 61.98 58.41 3dfy s VAL 219 Cb 0.09 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 3dfy s VAL 219 CO 0.67 0.00 1.15 0.54 -0.31 0.00 0.00 175.10 177.15 3dfy n ARG 220 N -1.68 1.06 0.02 4.82 5.12 -1.26 -4.06 116.66 120.68 3dfy n ARG 220 Ca -0.06 0.41 0.07 0.00 -1.93 0.00 0.00 57.85 56.34 3dfy n ARG 220 Cb 0.65 -2.37 0.49 0.00 -1.16 0.00 0.00 32.46 30.07 3dfy n ARG 220 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 3dfy h ARG 221 N 0.58 0.40 0.00 5.56 0.11 -1.93 -2.04 114.38 117.06 3dfy h ARG 221 Ca -0.50 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3dfy h ARG 221 Cb 1.35 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3dfy h ARG 221 CO 0.52 0.26 -0.48 0.39 0.10 0.00 0.00 179.97 180.77 3dfy n GLU 222 N -4.48 0.13 -1.83 0.08 -0.58 -1.26 -4.43 120.64 108.27 3dfy n GLU 222 Ca 0.04 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 3dfy n GLU 222 Cb 0.16 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 -1.79 4.29 -0.01 1.62 2.03 -0.77 -4.72 116.55 117.21 3dfy n ASP 223 Ca 0.05 -2.88 -0.03 0.00 0.52 0.00 0.00 54.79 52.44 3dfy n ASP 223 Cb 0.38 -1.62 0.22 0.00 -0.72 0.00 0.00 41.12 39.38 3dfy n ASP 223 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dfy h ILE 224 N 3.90 1.24 0.00 5.18 1.08 -1.82 -1.83 117.51 125.27 3dfy h ILE 224 Ca 0.55 -1.10 -0.08 0.00 -0.39 0.00 0.00 64.86 63.84 3dfy h ILE 224 Cb 0.62 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 3dfy h ILE 224 CO 1.84 0.36 -0.39 -0.33 -0.69 0.00 0.00 178.15 178.94 3dfy h GLU 225 N 0.50 0.00 -0.27 2.37 4.39 -1.98 -2.17 114.58 117.41 3dfy h GLU 225 Ca 0.09 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 3dfy h GLU 225 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3dfy h GLU 225 CO 0.03 0.39 -0.32 0.78 -1.16 0.00 0.00 179.01 178.73 3dfy h GLY 226 N 1.82 0.77 0.89 -3.84 0.00 -1.74 -0.52 103.07 100.45 3dfy h GLY 226 Ca -0.00 -0.82 0.02 0.00 0.00 0.00 0.00 47.33 46.53 3dfy h GLY 226 CO 0.05 0.73 0.19 1.41 0.00 0.00 0.00 176.54 178.93 3dfy h LEU 227 N 0.44 0.30 -0.77 3.11 3.38 -1.14 0.24 115.31 120.87 3dfy h LEU 227 Ca 0.04 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3dfy h LEU 227 Cb 0.90 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3dfy h LEU 227 CO 0.08 0.22 0.50 0.50 0.09 0.00 0.00 178.44 179.83 3dfy h LYS 228 N 0.39 0.96 -0.34 1.13 3.64 -1.28 0.25 116.57 121.33 3dfy h LYS 228 Ca 0.14 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3dfy h LYS 228 Cb 0.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3dfy h LYS 228 CO -0.07 0.64 0.18 0.35 -2.27 0.00 0.00 179.45 178.27 3dfy h PHE 229 N 0.99 0.48 -0.56 1.91 3.57 -0.52 -1.03 116.94 121.78 3dfy h PHE 229 Ca 0.30 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 3dfy h PHE 229 Cb -0.04 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3dfy h PHE 229 CO -0.03 0.39 0.01 0.28 -2.23 0.00 0.00 178.31 176.74 3dfy h VAL 230 N 0.42 1.26 -0.98 1.41 2.07 -0.45 -2.69 116.25 117.29 3dfy h VAL 230 Ca 0.12 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3dfy h VAL 230 Cb 0.09 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3dfy h VAL 230 CO -0.02 0.39 0.64 -0.09 0.02 0.00 0.00 177.57 178.52 3dfy h ARG 231 N 0.86 1.17 -0.41 1.57 2.43 -0.22 0.22 114.38 120.00 3dfy h ARG 231 Ca 0.16 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3dfy h ARG 231 Cb 0.52 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3dfy h ARG 231 CO 0.03 0.77 0.03 0.35 -1.51 0.00 0.00 179.97 179.63 3dfy h PHE 232 N 1.20 0.76 0.00 2.20 3.57 -0.90 -3.29 116.94 120.48 3dfy h PHE 232 Ca 0.40 -0.12 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 3dfy h PHE 232 Cb 0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3dfy h PHE 232 CO -0.00 0.76 -1.24 0.45 -2.23 0.00 0.00 178.31 176.05 3dfy h HIS 233 N 0.54 0.00 -3.29 0.41 3.86 -1.23 -3.47 115.15 111.98 3dfy h HIS 233 Ca 0.12 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.80 3dfy h HIS 233 Cb 0.44 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.93 3dfy h HIS 233 CO 0.03 0.48 0.60 0.45 0.86 0.00 0.00 177.93 180.36 3dfy s SER 234 N -5.80 7.00 0.00 2.45 0.15 0.75 -4.91 113.70 113.35 3dfy s SER 234 Ca -0.02 2.21 0.29 0.00 0.70 0.00 0.00 55.95 59.13 3dfy s SER 234 Cb 0.09 -2.59 1.27 0.00 -1.71 0.00 0.00 66.02 63.08 3dfy s SER 234 CO 0.80 -0.48 1.92 -0.81 1.20 0.00 0.00 173.24 175.88 3dfy n PRO 235 N 3.24 0.20 -4.09 5.44 -0.04 -1.26 -4.79 135.00 133.69 3dfy n PRO 235 Ca 0.07 -0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 3dfy n PRO 235 Cb 0.44 -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 -2.81 3.10 0.15 0.54 0.08 -1.26 -5.04 117.98 112.74 3dfy s PHE 236 Ca 0.20 0.01 -0.31 0.00 0.12 0.00 0.00 56.93 56.94 3dfy s PHE 236 Cb 0.19 -1.55 -0.10 0.00 -0.57 0.00 0.00 43.02 40.99 3dfy s PHE 236 CO 0.52 0.51 1.65 -2.14 -0.10 0.00 0.00 175.22 175.65 3dfy s PRO 237 N -2.62 4.18 -0.12 0.24 0.02 -1.26 -4.83 135.00 130.61 3dfy s PRO 237 Ca 0.29 2.43 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 3dfy s PRO 237 Cb -0.11 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.09 3dfy s PRO 237 CO 0.21 -0.69 0.28 0.08 -0.33 0.00 0.00 177.00 176.56 3dfy s VAL 238 N 1.60 5.29 0.11 3.83 1.01 -1.26 -0.44 120.40 130.54 3dfy s VAL 238 Ca 0.73 0.53 0.09 0.00 0.00 0.00 0.00 61.98 63.32 3dfy s VAL 238 Cb -0.45 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3dfy s VAL 238 CO 0.32 0.47 -0.18 0.00 0.00 0.00 0.00 175.10 175.71 3dfy s ALA 239 N -0.13 2.67 -0.16 5.51 0.00 -0.18 -0.58 121.76 128.89 3dfy s ALA 239 Ca 0.17 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 3dfy s ALA 239 Cb -0.13 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3dfy s ALA 239 CO 0.05 0.59 0.05 0.00 0.00 0.00 0.00 175.76 176.46 3dfy s ALA 240 N -1.12 3.40 0.00 0.00 0.00 -0.10 -0.04 121.76 123.90 3dfy s ALA 240 Ca 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3dfy s ALA 240 Cb -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3dfy s ALA 240 CO 0.10 0.29 0.00 -3.47 0.00 0.00 0.00 175.76 172.67 3dfy n ASP 241 N 3.18 0.00 0.30 0.00 -0.08 -1.26 -0.51 116.55 118.18 3dfy n ASP 241 Ca -0.17 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.27 3dfy n ASP 241 Cb 0.53 0.00 0.95 0.00 2.34 0.00 0.00 41.12 44.93 3dfy n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3dfy h GLU 242 N 0.00 0.00 -0.00 -0.67 3.07 -1.94 0.21 114.58 115.25 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 0.02 -0.10 0.43 -1.40 0.00 0.00 179.01 177.96 3dfy n SER 243 N -3.60 0.12 -3.95 1.42 7.64 -1.26 -4.44 113.62 109.54 3dfy n SER 243 Ca -0.03 0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.82 3dfy n SER 243 Cb 0.12 -0.32 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.95 3.69 -0.22 -0.43 0.00 0.06 -4.72 121.76 117.19 3dfy s ALA 244 Ca 0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 51.96 48.44 3dfy s ALA 244 Cb 0.19 -2.27 -0.12 0.00 0.00 0.00 0.00 23.12 20.92 3dfy s ALA 244 CO 0.56 -2.08 -0.24 0.54 0.00 0.00 0.00 175.76 174.54 3dfy n ARG 245 N 2.47 0.51 -4.27 0.00 1.74 -1.26 -4.85 116.66 111.00 3dfy n ARG 245 Ca 0.14 0.17 -0.25 0.00 -0.77 0.00 0.00 57.85 57.14 3dfy n ARG 245 Cb 0.34 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.43 2.49 0.48 0.55 -4.23 -1.26 -3.27 115.64 107.97 3dfy s THR 246 Ca -0.30 -1.85 0.15 0.00 -1.18 0.00 0.00 61.69 58.51 3dfy s THR 246 Cb 0.10 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 71.25 3dfy s THR 246 CO 0.45 -0.11 2.06 0.07 -0.54 0.00 0.00 174.62 176.55 3dfy h LYS 247 N 1.65 0.00 -0.30 3.99 2.10 -1.94 -1.55 116.57 120.51 3dfy h LYS 247 Ca -0.43 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.08 3dfy h LYS 247 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3dfy h LYS 247 CO 0.69 0.11 -0.40 0.74 -2.00 0.00 0.00 179.45 178.59 3dfy h PHE 248 N 0.00 0.86 -0.71 0.07 0.04 -1.97 -1.45 116.94 113.78 3dfy h PHE 248 Ca -0.00 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.48 3dfy h PHE 248 Cb 0.19 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3dfy h PHE 248 CO 0.00 1.00 0.30 -0.44 -0.60 0.00 0.00 178.31 178.57 3dfy h ASP 249 N 0.59 0.97 -0.22 2.17 3.32 -1.62 -2.19 116.42 119.44 3dfy h ASP 249 Ca 0.05 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 3dfy h ASP 249 Cb 0.94 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3dfy h ASP 249 CO 0.09 0.87 -0.31 0.58 -1.72 0.00 0.00 179.24 178.74 3dfy h VAL 250 N 1.01 1.28 -0.52 -1.35 2.07 -1.17 -0.90 116.25 116.67 3dfy h VAL 250 Ca 0.24 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3dfy h VAL 250 Cb 0.19 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3dfy h VAL 250 CO -0.02 0.48 0.08 -0.03 0.02 0.00 0.00 177.57 178.10 3dfy h MET 251 N 0.62 0.82 -0.23 1.57 1.85 -1.11 0.11 114.93 118.56 3dfy h MET 251 Ca 0.07 -0.19 -0.04 0.00 -0.61 0.00 0.00 59.70 58.93 3dfy h MET 251 Cb 0.83 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.74 3dfy h MET 251 CO 0.07 0.77 -0.02 -0.09 -0.40 0.00 0.00 176.91 177.25 3dfy h ARG 252 N 0.78 0.41 -0.82 0.39 2.43 -1.11 0.31 114.38 116.77 3dfy h ARG 252 Ca 0.17 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3dfy h ARG 252 Cb 0.35 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 3dfy h ARG 252 CO 0.01 0.61 0.49 -0.07 -1.51 0.00 0.00 179.97 179.50 3dfy h LEU 253 N 0.16 0.76 -0.46 3.80 3.38 -0.59 -0.02 115.31 122.36 3dfy h LEU 253 Ca 0.06 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3dfy h LEU 253 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dfy h LEU 253 CO 0.01 0.48 -0.15 0.58 0.09 0.00 0.00 178.44 179.45 3dfy h VAL 254 N 0.89 1.27 -0.35 1.22 2.07 -0.60 -1.39 116.25 119.36 3dfy h VAL 254 Ca 0.36 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3dfy h VAL 254 Cb 0.20 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3dfy h VAL 254 CO -0.19 0.44 -0.08 0.11 0.02 0.00 0.00 177.57 177.88 3dfy h LYS 255 N 0.75 0.58 -0.05 1.57 1.57 -0.24 -2.39 116.57 118.35 3dfy h LYS 255 Ca 0.11 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dfy h LYS 255 Cb 0.71 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3dfy h LYS 255 CO 0.05 0.66 0.00 0.39 -0.57 0.00 0.00 179.45 179.99 3dfy n GLU 256 N -4.21 1.56 -3.93 3.15 -0.58 -0.08 -4.93 120.64 111.61 3dfy n GLU 256 Ca 0.01 -0.82 -0.26 0.00 -0.42 0.00 0.00 57.16 55.67 3dfy n GLU 256 Cb 0.31 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.01 -3.14 0.02 3.49 1.02 -0.61 -4.91 120.64 116.52 3dfy n GLU 257 Ca 0.19 0.41 -0.14 0.00 -0.02 0.00 0.00 57.16 57.59 3dfy n GLU 257 Cb 0.30 -4.48 -0.14 0.00 -0.02 0.00 0.00 31.44 27.10 3dfy n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dfy h ALA 258 N 0.85 0.48 -2.32 0.62 0.00 -1.60 -3.45 119.26 113.83 3dfy h ALA 258 Ca -0.63 -1.27 -0.31 0.00 0.00 0.00 0.00 54.91 52.70 3dfy h ALA 258 Cb 1.37 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 19.41 3dfy h ALA 258 CO 0.61 1.34 -0.64 0.14 0.00 0.00 0.00 179.25 180.70 3dfy s VAL 259 N -2.61 0.59 -0.12 0.00 -7.23 -1.26 -3.09 120.40 106.68 3dfy s VAL 259 Ca -0.09 -1.99 0.15 0.00 -1.81 0.00 0.00 61.98 58.24 3dfy s VAL 259 Cb 0.07 -2.37 -0.24 0.00 0.56 0.00 0.00 36.38 34.40 3dfy s VAL 259 CO 0.82 -0.24 0.37 0.47 -0.31 0.00 0.00 175.10 176.22 3dfy n ASP 260 N -0.34 0.50 -4.20 4.85 8.00 0.26 -4.96 116.55 120.64 3dfy n ASP 260 Ca -0.03 0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.54 3dfy n ASP 260 Cb 0.65 0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 42.06 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 -2.55 1.12 -0.07 1.24 1.51 -0.17 -1.40 117.35 117.04 3dfy s TYR 261 Ca -0.08 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 3dfy s TYR 261 Cb 0.07 -0.60 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 3dfy s TYR 261 CO 0.82 0.02 -0.12 0.08 -1.11 0.00 0.00 175.55 175.25 3dfy s VAL 262 N -2.81 1.09 -0.43 0.71 1.01 -0.92 -0.93 120.40 118.13 3dfy s VAL 262 Ca 0.10 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3dfy s VAL 262 Cb -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.39 3dfy s VAL 262 CO -0.00 0.35 0.46 0.21 0.00 0.00 0.00 175.10 176.11 3dfy s ASN 263 N 0.72 6.20 0.12 3.32 2.47 0.33 -2.46 114.94 125.64 3dfy s ASN 263 Ca -0.14 -0.73 -0.24 0.00 0.42 0.00 0.00 52.86 52.17 3dfy s ASN 263 Cb -0.16 -2.23 -0.07 0.00 -1.45 0.00 0.00 41.25 37.34 3dfy s ASN 263 CO 0.03 -0.62 0.74 -0.63 -3.72 0.00 0.00 177.10 172.90 3dfy s ILE 264 N 2.17 4.52 -0.06 -5.21 1.01 0.29 -4.68 121.20 119.24 3dfy s ILE 264 Ca 0.12 1.60 -0.00 0.00 0.00 0.00 0.00 60.65 62.37 3dfy s ILE 264 Cb -0.18 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.23 3dfy s ILE 264 CO 0.13 0.49 -0.02 -0.54 0.00 0.00 0.00 174.94 175.00 3dfy s LYS 265 N -0.87 0.71 0.51 2.79 1.02 -1.26 0.07 119.74 122.71 3dfy s LYS 265 Ca 0.35 0.01 0.16 0.00 0.02 0.00 0.00 55.97 56.51 3dfy s LYS 265 Cb -0.22 -0.92 1.25 0.00 -0.52 0.00 0.00 37.83 37.43 3dfy s LYS 265 CO 0.24 -0.21 2.14 -0.07 -0.92 0.00 0.00 175.35 176.53 3dfy h LEU 266 N 7.84 0.03 -1.91 3.17 3.38 -1.86 -0.51 115.31 125.44 3dfy h LEU 266 Ca -0.28 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3dfy h LEU 266 Cb 1.14 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3dfy h LEU 266 CO 0.36 0.02 -0.09 0.24 0.09 0.00 0.00 178.44 179.05 3dfy h MET 267 N 0.03 0.00 0.08 1.13 2.86 -1.91 0.39 114.93 117.51 3dfy h MET 267 Ca 0.02 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.31 3dfy h MET 267 Cb 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3dfy h MET 267 CO -0.00 0.09 -1.94 1.63 1.06 0.00 0.00 176.91 177.75 3dfy n LYS 268 N -3.44 0.70 -0.03 1.72 5.02 -0.28 -2.56 118.16 119.29 3dfy n LYS 268 Ca -0.01 0.31 0.03 0.00 -2.02 0.00 0.00 58.31 56.62 3dfy n LYS 268 Cb 0.24 -1.68 -0.14 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 -3.69 0.82 -0.05 4.39 7.64 -0.73 -4.71 113.62 117.29 3dfy n SER 269 Ca -0.35 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.53 3dfy n SER 269 Cb 0.96 1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 65.68 3dfy n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dfy n GLY 270 N 1.63 -1.43 0.09 0.23 0.00 0.14 -3.23 105.19 102.62 3dfy n GLY 270 Ca -0.12 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.04 1.45 -0.14 -0.61 1.08 -1.83 -2.35 117.51 115.07 3dfy h ILE 271 Ca 0.00 -1.50 0.03 0.00 -0.39 0.00 0.00 64.86 63.00 3dfy h ILE 271 Cb 0.04 2.34 -0.07 0.00 -3.07 0.00 0.00 36.82 36.07 3dfy h ILE 271 CO 0.00 0.41 -0.52 0.77 -0.69 0.00 0.00 178.15 178.12 3dfy h SER 272 N -0.40 -1.64 0.12 1.72 4.64 -1.95 0.33 113.55 116.37 3dfy h SER 272 Ca -0.00 0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 3dfy h SER 272 Cb 0.72 0.65 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3dfy h SER 272 CO 0.02 -0.47 -0.29 0.44 -0.87 0.00 0.00 176.83 175.66 3dfy h ASP 273 N -0.56 0.28 -0.47 4.97 5.19 -1.67 -2.72 116.42 121.44 3dfy h ASP 273 Ca 0.04 -0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3dfy h ASP 273 Cb 0.67 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 3dfy h ASP 273 CO -0.43 0.58 0.29 0.00 -3.12 0.00 0.00 179.24 176.55 3dfy h ALA 274 N 1.45 0.60 -0.70 3.45 0.00 -0.77 0.55 119.26 123.83 3dfy h ALA 274 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 274 Cb 0.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 274 CO 0.05 -0.00 0.27 -0.07 0.00 0.00 0.00 179.25 179.50 3dfy h LEU 275 N 0.59 0.96 -0.38 0.00 3.38 -0.74 -2.08 115.31 117.04 3dfy h LEU 275 Ca 0.18 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3dfy h LEU 275 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3dfy h LEU 275 CO -0.07 0.86 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 3dfy h ALA 276 N 1.28 0.52 -0.64 1.53 0.00 -1.12 -2.70 119.26 118.13 3dfy h ALA 276 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dfy h ALA 276 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3dfy h ALA 276 CO -0.02 0.32 0.42 0.82 0.00 0.00 0.00 179.25 180.79 3dfy h ILE 277 N 0.51 1.16 0.17 0.00 2.04 -0.61 -0.60 117.51 120.18 3dfy h ILE 277 Ca 0.11 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3dfy h ILE 277 Cb 0.51 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3dfy h ILE 277 CO 0.02 0.16 -0.08 0.58 0.00 0.00 0.00 178.15 178.83 3dfy h VAL 278 N 0.86 0.87 -0.69 1.67 2.07 -1.18 -0.49 116.25 119.36 3dfy h VAL 278 Ca 0.24 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3dfy h VAL 278 Cb -0.09 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3dfy h VAL 278 CO -0.05 0.04 0.45 -0.33 0.02 0.00 0.00 177.57 177.69 3dfy h GLU 279 N -0.30 0.92 -0.34 1.57 4.39 -1.11 -0.93 114.58 118.78 3dfy h GLU 279 Ca -0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3dfy h GLU 279 Cb 0.23 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3dfy h GLU 279 CO 0.04 0.63 0.16 0.82 -1.16 0.00 0.00 179.01 179.49 3dfy h ILE 280 N 0.94 1.17 -0.12 3.13 2.04 -1.04 -2.16 117.51 121.47 3dfy h ILE 280 Ca 0.25 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3dfy h ILE 280 Cb -0.08 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3dfy h ILE 280 CO -0.05 0.18 0.07 0.00 0.00 0.00 0.00 178.15 178.35 3dfy h ALA 281 N 1.01 0.15 0.00 1.87 0.00 -0.71 -1.85 119.26 119.74 3dfy h ALA 281 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dfy h ALA 281 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dfy h ALA 281 CO -0.01 -0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.30 3dfy n GLU 282 N -4.98 0.20 0.00 0.00 1.02 -0.39 -1.77 120.64 114.73 3dfy n GLU 282 Ca -0.05 0.14 0.09 0.00 -0.02 0.00 0.00 57.16 57.33 3dfy n GLU 282 Cb 0.05 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.03 3dfy n GLU 282 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dfy n SER 283 N -1.32 2.36 -0.60 1.62 7.64 -0.75 -4.59 113.62 117.98 3dfy n SER 283 Ca 0.07 -1.68 0.01 0.00 1.01 0.00 0.00 58.87 58.28 3dfy n SER 283 Cb 0.14 0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.46 3dfy n SER 283 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dfy n SER 284 N 0.79 0.28 -0.48 6.43 3.41 -0.73 -5.01 113.62 118.31 3dfy n SER 284 Ca 0.10 -2.08 -0.06 0.00 -0.26 0.00 0.00 58.87 56.57 3dfy n SER 284 Cb 0.44 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.03 0.84 3.82 5.00 0.00 -1.10 -5.01 105.19 108.72 3dfy n GLY 285 Ca 0.02 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 3dfy n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dfy s LEU 286 N -1.43 4.49 0.25 0.99 2.96 -0.83 -5.01 118.68 120.11 3dfy s LEU 286 Ca 0.00 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 3dfy s LEU 286 Cb 0.00 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 3dfy s LEU 286 CO 0.00 0.25 0.44 -0.54 -1.32 0.00 0.00 176.35 175.18 3dfy s LYS 287 N -1.25 3.51 0.06 1.98 -0.14 -0.49 -4.43 119.74 118.98 3dfy s LYS 287 Ca 0.30 -0.37 0.05 0.00 -1.36 0.00 0.00 55.97 54.59 3dfy s LYS 287 Cb -0.19 -2.78 -0.03 0.00 -1.68 0.00 0.00 37.83 33.15 3dfy s LYS 287 CO 0.19 0.32 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.44 3dfy s LEU 288 N -3.70 2.24 0.07 3.17 1.43 -1.26 -2.15 118.68 118.47 3dfy s LEU 288 Ca 0.39 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3dfy s LEU 288 Cb -0.10 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 3dfy s LEU 288 CO 0.31 -0.03 -0.05 0.00 0.23 0.00 0.00 176.35 176.81 3dfy s MET 289 N -1.55 0.67 -0.02 1.70 0.23 -1.03 -0.62 119.30 118.68 3dfy s MET 289 Ca -0.00 -1.15 0.05 0.00 -1.03 0.00 0.00 55.69 53.56 3dfy s MET 289 Cb -0.09 -0.05 -0.01 0.00 -1.53 0.00 0.00 34.83 33.15 3dfy s MET 289 CO 0.02 -0.04 -0.18 -1.50 -2.03 0.00 0.00 175.02 171.29 3dfy s ILE 290 N -3.20 1.44 0.00 3.16 2.07 -0.97 -0.55 121.20 123.15 3dfy s ILE 290 Ca 0.04 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 3dfy s ILE 290 Cb 0.03 -1.21 0.00 0.00 0.13 0.00 0.00 42.46 41.41 3dfy s ILE 290 CO -0.05 0.41 0.00 0.61 -1.91 0.00 0.00 174.94 174.00 3dfy n GLY 291 N 2.77 6.40 3.68 1.50 0.00 0.11 -0.17 105.19 119.48 3dfy n GLY 291 Ca -0.16 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.83 0.00 2.81 -1.26 -4.99 117.12 111.30 3dfy n MET 293 Ca -0.05 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.74 3dfy n MET 293 Cb 0.60 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.18 3dfy n MET 293 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dfy n GLY 294 N 4.76 4.76 3.76 3.03 0.00 -1.26 -4.77 105.19 115.46 3dfy n GLY 294 Ca 0.00 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.25 3.33 0.28 1.61 8.01 -1.26 -4.92 118.70 122.50 3dfy s GLU 295 Ca 0.42 2.17 -0.01 0.00 0.01 0.00 0.00 54.97 57.56 3dfy s GLU 295 Cb 0.38 -2.34 0.06 0.00 -4.31 0.00 0.00 34.13 27.92 3dfy s GLU 295 CO -0.02 -1.01 0.38 -1.13 0.01 0.00 0.00 175.26 173.49 3dfy n SER 296 N -0.80 0.42 -0.29 -0.19 3.41 -1.26 -2.79 113.62 112.12 3dfy n SER 296 Ca 0.09 -1.38 0.03 0.00 -0.26 0.00 0.00 58.87 57.35 3dfy n SER 296 Cb 0.45 -0.25 0.16 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.28 0.68 0.38 4.04 4.64 -1.93 0.11 113.55 121.20 3dfy h SER 297 Ca -0.12 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 3dfy h SER 297 Cb 0.44 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3dfy h SER 297 CO 0.13 0.39 -0.28 0.25 -0.87 0.00 0.00 176.83 176.45 3dfy h LEU 298 N 0.79 0.00 0.22 5.97 6.46 -1.94 -2.04 115.31 124.77 3dfy h LEU 298 Ca 0.39 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.82 3dfy h LEU 298 Cb 0.34 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.30 3dfy h LEU 298 CO -0.24 0.28 -1.55 1.23 -0.62 0.00 0.00 178.44 177.54 3dfy h GLY 299 N 1.04 0.52 2.00 3.75 0.00 -1.51 -3.26 103.07 105.61 3dfy h GLY 299 Ca -0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 47.33 45.95 3dfy h GLY 299 CO 0.04 1.17 -0.15 1.19 0.00 0.00 0.00 176.54 178.79 3dfy h ILE 300 N 0.08 0.76 -0.95 2.60 6.09 -0.73 -1.74 117.51 123.61 3dfy h ILE 300 Ca -0.29 -0.59 0.15 0.00 -1.37 0.00 0.00 64.86 62.76 3dfy h ILE 300 Cb 2.09 1.36 -0.08 0.00 0.47 0.00 0.00 36.82 40.66 3dfy h ILE 300 CO 0.22 0.15 0.60 -1.13 -3.07 0.00 0.00 178.15 174.92 3dfy h ASN 301 N 0.00 0.76 -0.26 2.19 -1.24 -1.41 -0.26 115.58 115.36 3dfy h ASN 301 Ca -0.00 0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.10 3dfy h ASN 301 Cb 0.35 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 3dfy h ASN 301 CO 0.02 0.36 0.04 1.56 -1.29 0.00 0.00 177.43 178.12 3dfy h GLN 302 N 0.79 0.12 -0.13 6.67 4.20 -1.44 -1.72 115.11 123.60 3dfy h GLN 302 Ca 0.49 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 59.05 3dfy h GLN 302 Cb 0.71 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3dfy h GLN 302 CO -0.26 0.08 -0.54 0.77 -0.67 0.00 0.00 178.83 178.21 3dfy h SER 303 N 0.13 0.41 -0.01 1.46 0.02 -1.30 -2.36 113.55 111.90 3dfy h SER 303 Ca 0.12 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3dfy h SER 303 Cb 0.13 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3dfy h SER 303 CO -0.17 0.87 0.01 0.58 -1.14 0.00 0.00 176.83 176.98 3dfy h VAL 304 N 0.29 1.07 -0.55 2.27 2.07 -0.75 0.99 116.25 121.63 3dfy h VAL 304 Ca 0.01 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3dfy h VAL 304 Cb 1.04 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3dfy h VAL 304 CO 0.09 0.05 0.15 0.45 0.02 0.00 0.00 177.57 178.34 3dfy h HIS 305 N -0.07 0.86 -0.25 1.57 -0.00 -1.33 0.08 115.15 116.01 3dfy h HIS 305 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.28 3dfy h HIS 305 Cb 0.08 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3dfy h HIS 305 CO -0.05 0.71 0.06 0.35 -0.00 0.00 0.00 177.93 179.00 3dfy h PHE 306 N 0.81 0.42 -0.16 2.45 3.57 -1.09 -0.74 116.94 122.20 3dfy h PHE 306 Ca 0.18 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3dfy h PHE 306 Cb 0.27 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3dfy h PHE 306 CO 0.02 0.49 -0.42 0.00 -2.23 0.00 0.00 178.31 176.16 3dfy h ALA 307 N 0.88 0.98 -0.07 2.41 0.00 -0.55 -2.15 119.26 120.77 3dfy h ALA 307 Ca 0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3dfy h ALA 307 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dfy h ALA 307 CO 0.00 0.62 -0.30 -0.07 0.00 0.00 0.00 179.25 179.51 3dfy h LEU 308 N 0.30 0.39 -0.23 0.00 3.38 -0.87 -0.43 115.31 117.85 3dfy h LEU 308 Ca 0.02 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 3dfy h LEU 308 Cb 0.88 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3dfy h LEU 308 CO 0.07 0.96 -0.20 1.23 0.09 0.00 0.00 178.44 180.60 3dfy h GLY 309 N -0.15 0.59 1.74 0.83 0.00 -1.16 0.89 103.07 105.81 3dfy h GLY 309 Ca -0.02 -0.58 -0.24 0.00 0.00 0.00 0.00 47.33 46.49 3dfy h GLY 309 CO 0.06 0.53 -1.18 -0.91 0.00 0.00 0.00 176.54 175.04 3dfy h THR 310 N 0.24 1.52 -3.18 4.70 1.35 -1.51 -1.37 112.91 114.67 3dfy h THR 310 Ca 0.04 -3.22 -0.30 0.00 -0.55 0.00 0.00 66.41 62.39 3dfy h THR 310 Cb 0.74 2.80 -0.03 0.00 -1.73 0.00 0.00 68.15 69.92 3dfy h THR 310 CO 0.05 0.89 -0.36 0.61 -0.25 0.00 0.00 175.52 176.46 3dfy n GLY 311 N 1.44 -0.15 0.16 5.82 0.00 -0.17 -4.79 105.19 107.49 3dfy n GLY 311 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.64 2.84 -2.79 4.61 0.00 -1.26 -4.92 120.51 117.34 3dfy n ALA 312 Ca -0.17 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.61 3dfy n ALA 312 Cb 0.61 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 3dfy n ALA 312 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dfy s PHE 313 N -2.46 3.34 0.10 0.00 0.08 -1.26 -4.39 117.98 113.38 3dfy s PHE 313 Ca 0.28 0.26 -0.09 0.00 0.12 0.00 0.00 56.93 57.50 3dfy s PHE 313 Cb 0.20 -1.95 -0.17 0.00 -0.57 0.00 0.00 43.02 40.53 3dfy s PHE 313 CO 0.48 0.44 1.24 0.93 -0.10 0.00 0.00 175.22 178.21 3dfy h GLU 314 N 5.68 0.53 -4.94 0.44 4.39 -1.22 -3.46 114.58 116.00 3dfy h GLU 314 Ca -0.47 -0.60 -0.34 0.00 0.34 0.00 0.00 59.36 58.30 3dfy h GLU 314 Cb 1.19 0.17 -0.21 0.00 -0.10 0.00 0.00 28.75 29.81 3dfy h GLU 314 CO 0.62 1.22 -0.75 -0.06 -1.16 0.00 0.00 179.01 178.87 3dfy s PHE 315 N -3.24 0.95 -0.12 4.33 0.08 -1.25 -5.05 117.98 113.68 3dfy s PHE 315 Ca -0.08 -0.51 -0.00 0.00 0.12 0.00 0.00 56.93 56.46 3dfy s PHE 315 Cb 0.08 -0.54 0.02 0.00 -0.57 0.00 0.00 43.02 42.01 3dfy s PHE 315 CO 0.89 -0.02 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.89 3dfy s HIS 316 N -1.52 1.68 -0.83 0.36 3.76 -1.24 -2.29 115.29 115.22 3dfy s HIS 316 Ca -0.04 -0.87 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 3dfy s HIS 316 Cb -0.09 -1.33 0.24 0.00 1.11 0.00 0.00 32.58 32.52 3dfy s HIS 316 CO 0.01 -0.54 0.89 -3.47 -0.85 0.00 0.00 174.74 170.78 3dfy n ASP 317 N 4.82 4.41 -3.28 1.40 2.03 0.76 -1.13 116.55 125.55 3dfy n ASP 317 Ca -0.14 -3.31 -0.27 0.00 0.52 0.00 0.00 54.79 51.59 3dfy n ASP 317 Cb 0.50 -0.94 -0.07 0.00 -0.72 0.00 0.00 41.12 39.90 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 1.55 3.68 -0.31 -2.67 4.77 -1.26 -3.25 117.00 119.50 3dfy n LEU 318 Ca 0.25 -5.45 0.03 0.00 -0.03 0.00 0.00 56.01 50.81 3dfy n LEU 318 Cb 0.37 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3dfy n LEU 318 CO 0.45 2.14 0.43 -0.90 -1.33 0.00 0.00 177.39 178.18 3dfy n ASP 319 N 0.59 1.89 -0.30 -1.43 5.75 -1.26 -4.72 116.55 117.07 3dfy n ASP 319 Ca 0.30 -1.51 0.08 0.00 -0.01 0.00 0.00 54.79 53.65 3dfy n ASP 319 Cb 0.42 -0.05 0.30 0.00 -1.03 0.00 0.00 41.12 40.76 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 1.31 0.80 0.62 -1.12 4.64 -1.86 -0.09 113.55 117.86 3dfy h SER 320 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3dfy h SER 320 Cb 0.40 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3dfy h SER 320 CO 0.00 0.44 -0.13 1.12 -0.87 0.00 0.00 176.83 177.39 3dfy h HIS 321 N 0.87 0.00 0.00 4.77 2.07 -1.80 -2.01 115.15 119.05 3dfy h HIS 321 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 3dfy h HIS 321 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 3dfy h HIS 321 CO -0.00 0.13 0.00 1.28 -3.07 0.00 0.00 177.93 176.27 3dfy n LEU 322 N -3.43 0.00 -0.88 6.12 4.77 -0.05 -2.71 117.00 120.81 3dfy n LEU 322 Ca -0.01 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 3dfy n LEU 322 Cb 0.30 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3dfy n LEU 322 CO 0.30 -0.04 0.59 0.23 -1.33 0.00 0.00 177.39 177.14 3dfy n MET 323 N -1.48 2.12 -4.32 3.23 2.81 -0.76 -4.96 117.12 113.77 3dfy n MET 323 Ca 0.07 -1.79 -0.27 0.00 -1.81 0.00 0.00 57.70 53.90 3dfy n MET 323 Cb 0.30 -1.44 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 3dfy n MET 323 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3dfy s LEU 324 N -1.98 2.84 -0.26 4.03 1.43 -1.10 -3.48 118.68 120.15 3dfy s LEU 324 Ca 0.26 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 3dfy s LEU 324 Cb 0.19 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3dfy s LEU 324 CO 0.31 0.11 0.34 -0.54 0.23 0.00 0.00 176.35 176.81 3dfy s LYS 325 N -2.76 4.02 -0.09 1.70 1.02 -0.52 -5.00 119.74 118.11 3dfy s LYS 325 Ca 0.24 -0.01 0.01 0.00 0.02 0.00 0.00 55.97 56.22 3dfy s LYS 325 Cb -0.09 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.60 3dfy s LYS 325 CO 0.14 -0.23 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.03 3dfy s GLU 326 N 1.93 1.58 0.22 1.68 2.02 -1.26 -4.57 118.70 120.30 3dfy s GLU 326 Ca 0.14 -0.32 -0.15 0.00 0.02 0.00 0.00 54.97 54.66 3dfy s GLU 326 Cb -0.16 -1.50 0.25 0.00 0.10 0.00 0.00 34.13 32.82 3dfy s GLU 326 CO 0.10 -0.14 1.60 0.93 0.02 0.00 0.00 175.26 177.76 3dfy h GLU 327 N 7.65 -0.05 -4.32 1.61 5.08 -2.03 -3.41 114.58 119.12 3dfy h GLU 327 Ca -0.31 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.81 3dfy h GLU 327 Cb 1.15 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.19 3dfy h GLU 327 CO 0.44 -0.03 -0.73 0.54 -1.00 0.00 0.00 179.01 178.23 3dfy s VAL 328 N -6.16 0.37 0.21 3.13 0.11 -1.26 -5.13 120.40 111.67 3dfy s VAL 328 Ca -0.14 -0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 57.73 3dfy s VAL 328 Cb 0.20 -0.44 -0.10 0.00 -1.53 0.00 0.00 36.38 34.51 3dfy s VAL 328 CO 0.73 -0.34 1.44 0.12 -3.33 0.00 0.00 175.10 173.72 3dfy s PHE 329 N -1.19 3.09 -0.10 1.54 5.36 -1.26 -4.93 117.98 120.50 3dfy s PHE 329 Ca -0.10 0.97 0.14 0.00 -0.96 0.00 0.00 56.93 56.98 3dfy s PHE 329 Cb -0.09 -3.79 0.21 0.00 -0.34 0.00 0.00 43.02 39.02 3dfy s PHE 329 CO -0.00 -2.66 1.10 0.54 -1.46 0.00 0.00 175.22 172.74 3dfy n ARG 330 N 2.91 1.45 -3.66 10.12 1.74 -1.26 -5.04 116.66 122.91 3dfy n ARG 330 Ca 0.09 -2.24 -0.27 0.00 -0.77 0.00 0.00 57.85 54.66 3dfy n ARG 330 Cb 0.41 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.36 1.75 -0.98 -0.13 0.00 -1.26 -3.87 107.32 100.48 3dfy s GLY 331 Ca 0.23 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 3dfy s GLY 331 CO 0.02 -0.78 2.01 0.28 0.00 0.00 0.00 173.10 174.63 3dfy n LYS 332 N -0.77 4.45 -3.85 2.90 5.02 -1.26 -4.91 118.16 119.74 3dfy n LYS 332 Ca -0.05 -4.08 -0.08 0.00 -2.02 0.00 0.00 58.31 52.09 3dfy n LYS 332 Cb 0.54 -2.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.13 3dfy n LYS 332 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3dfy s PHE 333 N -3.73 -0.04 -0.23 2.13 -0.12 -1.26 -4.88 117.98 109.85 3dfy s PHE 333 Ca 0.45 -0.49 -0.06 0.00 -0.05 0.00 0.00 56.93 56.79 3dfy s PHE 333 Cb 0.27 0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 43.35 3dfy s PHE 333 CO -0.21 -1.34 0.03 0.42 -0.05 0.00 0.00 175.22 174.07 3dfy s ILE 334 N -3.36 4.05 -0.29 -4.49 1.01 0.11 -4.97 121.20 113.26 3dfy s ILE 334 Ca 0.13 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 3dfy s ILE 334 Cb -0.05 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3dfy s ILE 334 CO 0.09 0.38 0.30 -1.58 0.00 0.00 0.00 174.94 174.12 3dfy s GLN 335 N 1.42 3.86 -0.36 2.79 2.00 -1.26 -1.43 119.66 126.69 3dfy s GLN 335 Ca 0.05 -0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.19 3dfy s GLN 335 Cb -0.15 -3.70 0.11 0.00 0.80 0.00 0.00 33.01 30.08 3dfy s GLN 335 CO 0.02 -0.31 0.15 0.34 -0.50 0.00 0.00 175.29 174.99 3dfy s ASP 336 N 1.71 3.84 0.87 6.67 2.15 0.11 -5.02 116.67 127.00 3dfy s ASP 336 Ca 0.11 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.06 3dfy s ASP 336 Cb -0.16 -0.90 0.00 0.00 -0.30 0.00 0.00 42.92 41.55 3dfy s ASP 336 CO 0.11 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 3dfy n GLY 337 N 4.33 2.37 0.00 2.66 0.00 -1.26 -1.22 105.19 112.07 3dfy n GLY 337 Ca 0.03 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 11.47 0.78 -4.25 1.61 -0.04 -1.26 -4.82 135.00 138.49 3dfy n PRO 338 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 3dfy n PRO 338 Cb 0.00 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 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 2.57 -0.04 0.54 0.52 -0.36 -0.75 118.95 119.44 3dfy s ARG 339 Ca 0.18 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.65 3dfy s ARG 339 Cb 0.08 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 33.01 3dfy s ARG 339 CO 0.14 0.57 -0.15 -1.64 0.02 0.00 0.00 175.30 174.24 3dfy s MET 340 N -1.92 1.61 0.26 3.54 -1.94 -0.58 0.06 119.30 120.34 3dfy s MET 340 Ca 0.22 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.70 3dfy s MET 340 Cb -0.11 -1.40 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 3dfy s MET 340 CO 0.14 0.18 0.17 1.03 -0.01 0.00 0.00 175.02 176.53 3dfy s ARG 341 N 0.17 1.43 0.33 2.03 0.52 -0.51 -1.77 118.95 121.15 3dfy s ARG 341 Ca -0.06 -1.79 0.08 0.00 -0.52 0.00 0.00 55.73 53.44 3dfy s ARG 341 Cb -0.12 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.51 3dfy s ARG 341 CO 0.02 -0.46 0.22 0.54 0.02 0.00 0.00 175.30 175.63 3dfy s VAL 342 N -3.85 3.32 0.00 3.52 0.11 -1.24 0.07 120.40 122.33 3dfy s VAL 342 Ca 0.39 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 3dfy s VAL 342 Cb 0.05 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 3dfy s VAL 342 CO 0.17 -0.19 0.26 1.17 -3.33 0.00 0.00 175.10 173.19