#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fie n VAL 3 N 0.00 2.16 -3.26 -1.45 0.24 -1.26 -4.95 118.33 109.81 3fie n VAL 3 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.42 3fie n VAL 3 Cb 0.00 -0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 31.58 3fie n VAL 3 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3fie s VAL 4 N -1.53 5.01 -0.17 3.34 1.01 -1.26 -5.07 120.40 121.73 3fie s VAL 4 Ca 0.66 1.13 -0.06 0.00 0.00 0.00 0.00 61.98 63.71 3fie s VAL 4 Cb -0.53 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3fie s VAL 4 CO 0.56 0.40 0.02 -0.63 0.00 0.00 0.00 175.10 175.45 3fie s ILE 5 N 0.02 4.38 0.04 2.22 -1.09 -1.26 -4.44 121.20 121.06 3fie s ILE 5 Ca 0.29 -0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.39 3fie s ILE 5 Cb -0.17 -2.96 -0.06 0.00 -1.58 0.00 0.00 42.46 37.69 3fie s ILE 5 CO 0.15 0.47 0.44 0.20 -1.23 0.00 0.00 174.94 174.97 3fie s ASN 6 N 0.42 6.82 0.01 3.58 0.01 0.12 -5.03 114.94 120.87 3fie s ASN 6 Ca 0.00 0.99 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 3fie s ASN 6 Cb -0.13 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3fie s ASN 6 CO 0.01 0.27 0.07 -0.44 -1.51 0.00 0.00 177.10 175.51 3fie s SER 7 N -1.25 5.57 0.07 -1.22 0.01 -1.26 -4.80 113.70 110.82 3fie s SER 7 Ca 0.27 0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 3fie s SER 7 Cb -0.16 -1.57 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 3fie s SER 7 CO 0.15 0.26 0.08 -0.36 0.41 0.00 0.00 173.24 173.79 3fie s PHE 8 N -1.20 0.36 -0.05 2.43 0.08 -1.26 -5.13 117.98 113.21 3fie s PHE 8 Ca 0.23 -0.84 0.06 0.00 0.12 0.00 0.00 56.93 56.49 3fie s PHE 8 Cb -0.12 -0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 42.08 3fie s PHE 8 CO 0.14 -0.47 -0.22 -0.80 -0.10 0.00 0.00 175.22 173.77 3fie s ASN 9 N -2.90 3.35 0.62 1.36 -0.87 -1.26 -4.73 114.94 110.51 3fie s ASN 9 Ca 0.07 -0.42 0.30 0.00 -1.57 0.00 0.00 52.86 51.24 3fie s ASN 9 Cb 0.06 -0.78 1.66 0.00 -0.02 0.00 0.00 41.25 42.17 3fie s ASN 9 CO -0.10 0.28 2.01 0.22 -2.57 0.00 0.00 177.10 176.94 3fie h TYR 10 N 5.82 0.00 0.00 2.20 3.20 -1.90 -0.51 116.97 125.79 3fie h TYR 10 Ca -0.37 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.38 3fie h TYR 10 Cb 1.16 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 3fie h TYR 10 CO 0.44 0.00 -0.55 -0.91 -1.64 0.00 0.00 178.16 175.50 3fie h ASN 11 N 0.00 0.00 -1.23 -2.11 2.35 -1.95 -3.47 115.58 109.18 3fie h ASN 11 Ca 0.09 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 55.11 3fie h ASN 11 Cb 0.70 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.13 3fie h ASN 11 CO -0.00 0.55 0.02 0.47 -1.65 0.00 0.00 177.43 176.81 3fie n ASP 12 N -3.71 0.14 -4.75 5.81 8.00 -0.20 -4.86 116.55 116.98 3fie n ASP 12 Ca -0.01 1.15 -0.36 0.00 0.71 0.00 0.00 54.79 56.28 3fie n ASP 12 Cb 0.59 -1.00 0.05 0.00 -0.02 0.00 0.00 41.12 40.73 3fie n ASP 12 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3fie s PRO 13 N -0.22 2.76 0.48 -0.24 0.04 -1.26 -4.95 135.00 131.61 3fie s PRO 13 Ca 0.82 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 63.45 3fie s PRO 13 Cb -1.10 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 31.47 3fie s PRO 13 CO 0.55 -1.37 1.33 0.14 0.04 0.00 0.00 177.00 177.69 3fie s VAL 14 N -1.66 2.37 0.00 -0.36 -7.23 -1.26 -4.85 120.40 107.41 3fie s VAL 14 Ca 0.77 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 3fie s VAL 14 Cb -0.31 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3fie s VAL 14 CO 0.36 0.02 0.50 -0.46 -0.31 0.00 0.00 175.10 175.21 3fie n ASN 15 N -0.49 0.46 -0.21 4.85 0.23 -0.45 -5.00 115.26 114.64 3fie n ASN 15 Ca 0.07 -1.19 -0.03 0.00 -0.53 0.00 0.00 54.58 52.90 3fie n ASN 15 Cb 0.44 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.13 3fie n ASN 15 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3fie n ASP 16 N -0.10 -5.72 0.03 0.53 8.00 -0.99 -4.68 116.55 113.62 3fie n ASP 16 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3fie n ASP 16 Cb 0.37 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 3fie n ASP 16 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3fie n ASP 17 N -0.92 0.55 0.00 -2.24 2.03 -1.26 -4.91 116.55 109.80 3fie n ASP 17 Ca -0.03 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3fie n ASP 17 Cb 0.51 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 3fie n ASP 17 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3fie n THR 18 N -3.25 0.00 -3.87 5.18 -2.24 -1.26 -4.92 114.28 103.92 3fie n THR 18 Ca 0.00 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 3fie n THR 18 Cb 0.22 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 3fie n THR 18 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3fie s ILE 19 N -1.36 1.04 0.30 2.28 1.01 -1.26 -0.66 121.20 122.55 3fie s ILE 19 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3fie s ILE 19 Cb 0.00 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3fie s ILE 19 CO 0.00 0.08 0.32 -0.76 0.00 0.00 0.00 174.94 174.58 3fie s LEU 20 N 1.66 1.31 -0.22 2.97 1.43 -0.74 -1.35 118.68 123.74 3fie s LEU 20 Ca 0.00 -1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 51.48 3fie s LEU 20 Cb -0.16 0.87 -0.04 0.00 0.03 0.00 0.00 46.19 46.90 3fie s LEU 20 CO -0.07 -1.09 0.07 -0.31 0.23 0.00 0.00 176.35 175.18 3fie s TYR 21 N -3.52 3.17 0.10 0.29 2.02 -1.25 0.13 117.35 118.29 3fie s TYR 21 Ca 0.36 -0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.99 3fie s TYR 21 Cb 0.02 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 3fie s TYR 21 CO 0.21 -0.09 -0.17 1.41 -1.57 0.00 0.00 175.55 175.33 3fie s MET 22 N 1.02 1.00 0.10 -0.62 -2.45 0.14 -1.73 119.30 116.76 3fie s MET 22 Ca 0.04 -1.10 -0.09 0.00 -1.25 0.00 0.00 55.69 53.29 3fie s MET 22 Cb -0.14 -1.10 -0.06 0.00 1.25 0.00 0.00 34.83 34.78 3fie s MET 22 CO 0.03 0.24 0.41 -0.65 1.05 0.00 0.00 175.02 176.10 3fie s GLN 23 N -1.99 3.74 0.25 4.11 -0.21 -0.49 0.09 119.66 125.16 3fie s GLN 23 Ca 0.04 0.15 -0.30 0.00 0.02 0.00 0.00 55.36 55.27 3fie s GLN 23 Cb -0.09 -2.95 -0.09 0.00 1.00 0.00 0.00 33.01 30.88 3fie s GLN 23 CO 0.03 0.53 0.98 0.42 -2.12 0.00 0.00 175.29 175.13 3fie s ILE 24 N -1.46 3.93 0.31 1.08 1.01 -1.26 -4.56 121.20 120.24 3fie s ILE 24 Ca 0.35 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.65 3fie s ILE 24 Cb -0.13 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 37.99 3fie s ILE 24 CO 0.19 0.46 1.59 -2.65 0.00 0.00 0.00 174.94 174.53 3fie n PRO 25 N 1.39 2.74 -0.25 2.79 -0.02 -1.26 -1.72 135.00 138.67 3fie n PRO 25 Ca -0.02 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3fie n PRO 25 Cb 0.47 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 3fie n PRO 25 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fie n TYR 26 N 1.86 0.00 -2.13 6.00 4.01 -1.26 -4.86 117.16 120.78 3fie n TYR 26 Ca 0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.61 3fie n TYR 26 Cb 0.37 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.43 3fie n TYR 26 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3fie n GLU 27 N -2.00 3.32 0.03 -0.72 1.02 -0.70 -4.75 120.64 116.84 3fie n GLU 27 Ca 0.00 -4.06 -0.19 0.00 -0.02 0.00 0.00 57.16 52.89 3fie n GLU 27 Cb 0.00 -2.17 -0.09 0.00 -0.02 0.00 0.00 31.44 29.16 3fie n GLU 27 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3fie h GLU 28 N 2.22 0.69 -0.85 3.49 3.07 -1.90 -3.32 114.58 117.99 3fie h GLU 28 Ca 0.29 -0.70 0.21 0.00 -0.50 0.00 0.00 59.36 58.67 3fie h GLU 28 Cb 1.50 0.19 -0.13 0.00 -0.84 0.00 0.00 28.75 29.47 3fie h GLU 28 CO 0.67 1.29 0.28 1.57 -1.40 0.00 0.00 179.01 181.41 3fie h LYS 29 N 0.41 0.29 0.00 2.33 2.10 -1.94 0.42 116.57 120.17 3fie h LYS 29 Ca -0.11 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3fie h LYS 29 Cb 1.62 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 3fie h LYS 29 CO 0.19 0.19 0.00 -1.13 -2.00 0.00 0.00 179.45 176.70 3fie n SER 30 N -5.14 0.00 -1.49 7.07 3.41 -1.25 -4.81 113.62 111.41 3fie n SER 30 Ca 0.20 0.23 -0.16 0.00 -0.26 0.00 0.00 58.87 58.88 3fie n SER 30 Cb 0.62 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 3fie n SER 30 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fie n LYS 31 N -1.32 -1.37 -3.24 4.33 5.02 0.14 -4.93 118.16 116.79 3fie n LYS 31 Ca 0.03 0.93 -0.39 0.00 -2.02 0.00 0.00 58.31 56.87 3fie n LYS 31 Cb 0.06 -5.23 -0.06 0.00 -0.02 0.00 0.00 35.03 29.78 3fie n LYS 31 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3fie s LYS 32 N -3.40 4.32 0.24 1.97 2.20 -1.26 -5.08 119.74 118.73 3fie s LYS 32 Ca 0.00 0.63 0.10 0.00 -0.36 0.00 0.00 55.97 56.34 3fie s LYS 32 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 3fie s LYS 32 CO 0.00 0.26 -0.06 0.71 -0.36 0.00 0.00 175.35 175.90 3fie s TYR 33 N 0.23 2.63 0.03 4.03 2.02 -1.26 -4.45 117.35 120.58 3fie s TYR 33 Ca 0.30 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 3fie s TYR 33 Cb -0.17 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3fie s TYR 33 CO 0.14 0.59 -0.05 0.71 -1.57 0.00 0.00 175.55 175.38 3fie s TYR 34 N -2.11 0.45 0.05 2.71 2.02 0.11 -4.86 117.35 115.72 3fie s TYR 34 Ca 0.29 -0.61 -0.31 0.00 -0.37 0.00 0.00 57.07 56.07 3fie s TYR 34 Cb -0.07 -0.30 -0.07 0.00 -0.40 0.00 0.00 41.96 41.12 3fie s TYR 34 CO 0.18 -0.18 1.46 0.21 -1.57 0.00 0.00 175.55 175.65 3fie s LYS 35 N -1.95 4.27 0.16 -0.62 2.20 -1.26 0.25 119.74 122.79 3fie s LYS 35 Ca -0.10 2.09 0.10 0.00 -0.36 0.00 0.00 55.97 57.71 3fie s LYS 35 Cb -0.07 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3fie s LYS 35 CO -0.02 -0.58 -0.23 0.00 -0.36 0.00 0.00 175.35 174.16 3fie s ALA 36 N 2.10 2.24 -0.01 3.13 0.00 0.36 -4.39 121.76 125.19 3fie s ALA 36 Ca 0.67 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3fie s ALA 36 Cb -0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3fie s ALA 36 CO 0.29 0.39 -0.09 -0.06 0.00 0.00 0.00 175.76 176.29 3fie s PHE 37 N -1.54 0.82 -0.44 0.00 0.08 -0.27 -1.78 117.98 114.85 3fie s PHE 37 Ca 0.15 -0.16 -0.20 0.00 0.12 0.00 0.00 56.93 56.84 3fie s PHE 37 Cb -0.08 -0.53 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 3fie s PHE 37 CO 0.07 -0.02 0.63 -2.00 -0.10 0.00 0.00 175.22 173.80 3fie s GLU 38 N -0.19 3.27 0.10 0.44 2.12 0.16 -0.12 118.70 124.47 3fie s GLU 38 Ca 0.03 -0.40 -0.16 0.00 0.36 0.00 0.00 54.97 54.80 3fie s GLU 38 Cb -0.04 -3.95 -0.08 0.00 0.26 0.00 0.00 34.13 30.32 3fie s GLU 38 CO -0.00 -1.00 1.46 0.82 -0.54 0.00 0.00 175.26 175.99 3fie h ILE 39 N 5.87 1.30 -3.06 -3.70 1.08 -1.16 -3.40 117.51 114.43 3fie h ILE 39 Ca -0.25 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 62.93 3fie h ILE 39 Cb 1.10 1.49 -0.11 0.00 -3.07 0.00 0.00 36.82 36.23 3fie h ILE 39 CO 0.89 0.41 0.17 0.00 -0.69 0.00 0.00 178.15 178.93 3fie s MET 40 N -4.56 1.36 -0.19 2.37 0.23 -1.18 -0.71 119.30 116.62 3fie s MET 40 Ca -0.13 -0.62 -0.40 0.00 -1.03 0.00 0.00 55.69 53.51 3fie s MET 40 Cb 0.08 0.58 -0.17 0.00 -1.53 0.00 0.00 34.83 33.79 3fie s MET 40 CO 0.80 -0.60 1.59 -2.13 -2.03 0.00 0.00 175.02 172.65 3fie n ARG 41 N -0.38 0.96 -0.94 3.16 0.63 -1.26 -0.29 116.66 118.53 3fie n ARG 41 Ca -0.14 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 3fie n ARG 41 Cb 0.64 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.55 3fie n ARG 41 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3fie n ASN 42 N 4.26 -1.71 -3.97 6.15 5.03 -1.26 -4.60 115.26 119.16 3fie n ASN 42 Ca 0.25 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.39 3fie n ASN 42 Cb 0.12 -0.82 -0.15 0.00 -1.02 0.00 0.00 39.78 37.91 3fie n ASN 42 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3fie s VAL 43 N -2.62 1.75 0.28 2.41 1.01 0.60 -1.05 120.40 122.78 3fie s VAL 43 Ca 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 61.98 60.56 3fie s VAL 43 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3fie s VAL 43 CO 0.00 -0.20 0.06 0.26 0.00 0.00 0.00 175.10 175.21 3fie s TRP 44 N 1.26 2.74 -0.02 5.22 0.52 -0.56 -0.59 118.94 127.53 3fie s TRP 44 Ca -0.03 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 55.85 3fie s TRP 44 Cb -0.19 -1.33 0.01 0.00 -1.15 0.00 0.00 33.47 30.80 3fie s TRP 44 CO -0.08 0.54 -0.05 -1.50 0.02 0.00 0.00 176.95 175.88 3fie s ILE 45 N -2.33 0.44 -0.34 2.03 2.07 0.83 -0.74 121.20 123.16 3fie s ILE 45 Ca 0.33 -0.18 0.03 0.00 -1.41 0.00 0.00 60.65 59.42 3fie s ILE 45 Cb -0.05 -0.41 0.10 0.00 0.13 0.00 0.00 42.46 42.22 3fie s ILE 45 CO 0.21 0.15 0.06 -0.63 -1.91 0.00 0.00 174.94 172.83 3fie s ILE 46 N 0.25 2.46 -0.74 2.00 1.01 -0.42 -1.11 121.20 124.64 3fie s ILE 46 Ca -0.03 -2.22 -0.05 0.00 0.00 0.00 0.00 60.65 58.35 3fie s ILE 46 Cb -0.07 -2.75 -0.08 0.00 0.01 0.00 0.00 42.46 39.57 3fie s ILE 46 CO -0.00 -0.56 2.24 -0.81 0.00 0.00 0.00 174.94 175.82 3fie n PRO 47 N 4.33 1.99 -4.29 2.79 -0.04 -1.26 -3.76 135.00 134.76 3fie n PRO 47 Ca 0.01 -1.30 -0.16 0.00 -0.04 0.00 0.00 63.50 62.01 3fie n PRO 47 Cb 0.42 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.46 3fie n PRO 47 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fie s GLU 48 N 2.91 1.18 0.34 0.54 0.41 -1.26 -4.76 118.70 118.06 3fie s GLU 48 Ca 0.42 -1.51 -0.29 0.00 -0.41 0.00 0.00 54.97 53.18 3fie s GLU 48 Cb 0.13 -0.83 -0.11 0.00 -1.78 0.00 0.00 34.13 31.54 3fie s GLU 48 CO -0.03 0.12 1.44 1.03 -0.49 0.00 0.00 175.26 177.33 3fie s ARG 49 N -3.71 4.20 -0.82 1.61 1.81 -1.26 -0.63 118.95 120.15 3fie s ARG 49 Ca 0.19 2.44 -0.25 0.00 -1.72 0.00 0.00 55.73 56.39 3fie s ARG 49 Cb 0.01 -3.02 0.01 0.00 -0.45 0.00 0.00 34.95 31.51 3fie s ARG 49 CO 0.03 -0.43 1.57 1.21 -0.68 0.00 0.00 175.30 177.00 3fie s ASN 50 N -0.12 5.89 0.00 0.23 3.84 -0.90 -4.79 114.94 119.08 3fie s ASN 50 Ca 0.53 -0.60 0.28 0.00 0.21 0.00 0.00 52.86 53.29 3fie s ASN 50 Cb -0.44 -2.56 1.05 0.00 -0.55 0.00 0.00 41.25 38.76 3fie s ASN 50 CO 0.57 -2.02 1.75 0.35 -2.79 0.00 0.00 177.10 174.95 3fie n THR 51 N 6.96 0.00 -1.68 -5.21 -2.24 -1.26 -4.38 114.28 106.46 3fie n THR 51 Ca 0.21 -0.23 -0.54 0.00 -2.27 0.00 0.00 64.05 61.22 3fie n THR 51 Cb 0.50 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 3fie n THR 51 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3fie n ILE 52 N 0.05 0.39 -2.84 2.28 5.41 -1.26 -1.52 119.36 121.87 3fie n ILE 52 Ca 0.18 -0.09 -0.14 0.00 1.00 0.00 0.00 62.75 63.71 3fie n ILE 52 Cb 0.35 -1.47 0.03 0.00 -0.71 0.00 0.00 39.64 37.84 3fie n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fie n GLY 53 N 4.46 -0.06 3.47 7.39 0.00 -1.26 -5.03 105.19 114.17 3fie n GLY 53 Ca 0.26 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3fie n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fie s THR 54 N -3.00 1.06 0.02 2.61 -4.23 -0.58 -5.14 115.64 106.38 3fie s THR 54 Ca 0.23 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 3fie s THR 54 Cb -0.10 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 3fie s THR 54 CO 0.29 0.00 -0.20 -1.81 -0.54 0.00 0.00 174.62 172.36 3fie s ASP 55 N -3.52 2.32 0.32 3.99 1.01 -1.26 -5.05 116.67 114.47 3fie s ASP 55 Ca 0.33 -0.45 0.09 0.00 0.71 0.00 0.00 52.55 53.23 3fie s ASP 55 Cb 0.07 -0.21 0.93 0.00 1.01 0.00 0.00 42.92 44.72 3fie s ASP 55 CO 0.15 0.18 1.64 -0.65 0.21 0.00 0.00 175.17 176.69 3fie h PRO 56 N 5.16 0.20 -0.13 8.23 0.11 -2.01 -0.33 132.00 143.24 3fie h PRO 56 Ca -0.40 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.73 3fie h PRO 56 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3fie h PRO 56 CO 0.45 0.13 0.13 0.66 -0.21 0.00 0.00 178.00 179.16 3fie h SER 57 N 0.21 0.00 -0.18 -2.05 4.64 -1.98 -2.26 113.55 111.93 3fie h SER 57 Ca 0.66 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 62.03 3fie h SER 57 Cb 1.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 3fie h SER 57 CO -0.68 0.00 0.25 0.44 -0.87 0.00 0.00 176.83 175.97 3fie h ASP 58 N 0.00 0.00 0.84 4.97 3.32 -1.47 0.13 116.42 124.21 3fie h ASP 58 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3fie h ASP 58 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3fie h ASP 58 CO -0.00 0.00 -0.20 0.49 -1.72 0.00 0.00 179.24 177.81 3fie n PHE 59 N -3.60 0.07 -2.70 4.55 3.72 -0.85 -4.75 117.46 113.89 3fie n PHE 59 Ca 0.02 0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 3fie n PHE 59 Cb 0.37 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 3fie n PHE 59 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3fie s ASP 60 N -3.12 7.58 0.03 4.37 1.01 0.45 -3.44 116.67 123.55 3fie s ASP 60 Ca 0.12 2.00 -0.30 0.00 0.71 0.00 0.00 52.55 55.08 3fie s ASP 60 Cb 0.18 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3fie s ASP 60 CO 0.60 0.10 1.96 -0.81 0.21 0.00 0.00 175.17 177.23 3fie n PRO 61 N 1.49 2.82 -1.90 8.23 -0.04 -1.26 -4.86 135.00 139.48 3fie n PRO 61 Ca -0.02 1.03 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 3fie n PRO 61 Cb 0.47 -2.98 -0.03 0.00 -0.04 0.00 0.00 33.50 30.92 3fie n PRO 61 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3fie s PRO 62 N 4.36 3.67 -0.85 0.54 0.04 -1.26 -4.83 135.00 136.67 3fie s PRO 62 Ca 0.89 1.91 -0.22 0.00 0.04 0.00 0.00 61.00 63.62 3fie s PRO 62 Cb -0.46 -4.15 -0.15 0.00 0.04 0.00 0.00 34.50 29.79 3fie s PRO 62 CO 0.43 -1.46 1.92 0.00 0.04 0.00 0.00 177.00 177.92 3fie n ALA 63 N 9.17 2.89 -1.52 8.56 0.00 -1.26 -2.21 120.51 136.14 3fie n ALA 63 Ca 0.22 -3.23 -0.00 0.00 0.00 0.00 0.00 53.44 50.42 3fie n ALA 63 Cb 0.44 -3.60 -0.00 0.00 0.00 0.00 0.00 19.45 16.29 3fie n ALA 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fie n SER 64 N 9.20 -0.01 0.00 0.00 3.41 -1.26 -5.09 113.62 119.86 3fie n SER 64 Ca 0.48 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3fie n SER 64 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3fie n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fie n LEU 65 N 0.00 0.00 -4.72 1.04 -0.00 -0.94 -5.16 117.00 107.23 3fie n LEU 65 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.65 3fie n LEU 65 Cb 0.26 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.78 3fie n LEU 65 CO -0.00 0.00 0.84 -1.83 -0.00 0.00 0.00 177.39 176.40 3fie s GLU 66 N -0.03 2.14 -0.28 1.47 -1.05 -1.26 -4.66 118.70 115.03 3fie s GLU 66 Ca 0.00 1.91 -0.26 0.00 -0.15 0.00 0.00 54.97 56.48 3fie s GLU 66 Cb 0.00 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 3fie s GLU 66 CO 0.00 -1.87 0.90 1.21 0.95 0.00 0.00 175.26 176.45 3fie s ASN 67 N -1.76 6.84 0.00 0.83 2.47 -1.26 -3.70 114.94 118.36 3fie s ASN 67 Ca 0.78 0.97 0.00 0.00 0.42 0.00 0.00 52.86 55.03 3fie s ASN 67 Cb -0.33 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.00 3fie s ASN 67 CO 0.45 -0.65 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 3fie n GLY 68 N 3.86 2.13 0.00 1.21 0.00 -0.68 -5.01 105.19 106.70 3fie n GLY 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3fie n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fie n SER 69 N 0.00 0.00 -0.53 1.61 3.41 -1.24 -4.53 113.62 112.34 3fie n SER 69 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 3fie n SER 69 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3fie n SER 69 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fie n SER 70 N 0.00 2.05 -3.74 4.04 3.41 -1.26 -4.71 113.62 113.40 3fie n SER 70 Ca 0.00 -1.52 -0.12 0.00 -0.26 0.00 0.00 58.87 56.97 3fie n SER 70 Cb 0.00 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 3fie n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fie s ALA 71 N -2.07 -0.74 -0.04 7.33 0.00 -1.26 -4.98 121.76 120.00 3fie s ALA 71 Ca 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3fie s ALA 71 Cb 0.16 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.60 3fie s ALA 71 CO 0.43 -0.40 0.02 -0.47 0.00 0.00 0.00 175.76 175.35 3fie s TYR 72 N -2.37 0.26 0.01 0.00 5.04 -1.26 -1.69 117.35 117.33 3fie s TYR 72 Ca -0.06 0.07 0.06 0.00 -2.44 0.00 0.00 57.07 54.70 3fie s TYR 72 Cb -0.01 -0.47 -0.03 0.00 0.35 0.00 0.00 41.96 41.79 3fie s TYR 72 CO -0.02 -0.18 -0.19 0.71 -1.34 0.00 0.00 175.55 174.54 3fie s TYR 73 N 1.54 2.55 -0.36 4.97 2.02 -1.26 -1.28 117.35 125.53 3fie s TYR 73 Ca -0.03 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3fie s TYR 73 Cb -0.13 -1.51 0.19 0.00 -0.40 0.00 0.00 41.96 40.11 3fie s TYR 73 CO -0.03 0.19 0.77 0.34 -1.57 0.00 0.00 175.55 175.25 3fie s ASP 74 N -1.14 -1.14 0.00 2.29 -1.08 -1.22 -4.67 116.67 109.71 3fie s ASP 74 Ca 0.13 -0.43 0.05 0.00 -0.52 0.00 0.00 52.55 51.78 3fie s ASP 74 Cb -0.10 1.50 0.22 0.00 -1.46 0.00 0.00 42.92 43.08 3fie s ASP 74 CO 0.03 -0.14 1.10 -0.81 0.52 0.00 0.00 175.17 175.87 3fie n PRO 75 N 4.40 0.02 0.05 4.34 -0.04 -1.23 -1.76 135.00 140.78 3fie n PRO 75 Ca 0.09 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.02 3fie n PRO 75 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 3fie n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fie n ASN 76 N -1.43 0.62 -4.74 3.54 3.02 -1.26 -4.88 115.26 110.12 3fie n ASN 76 Ca 0.02 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 3fie n ASN 76 Cb 0.05 0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 39.95 3fie n ASN 76 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3fie s TYR 77 N -3.28 2.87 -1.00 3.10 5.04 -0.73 -2.95 117.35 120.41 3fie s TYR 77 Ca 0.02 0.80 -0.05 0.00 -2.44 0.00 0.00 57.07 55.39 3fie s TYR 77 Cb 0.13 -3.99 0.01 0.00 0.35 0.00 0.00 41.96 38.45 3fie s TYR 77 CO 0.80 -3.37 0.64 -0.11 -1.34 0.00 0.00 175.55 172.16 3fie n LEU 78 N 2.56 -2.68 -0.00 6.97 7.94 -1.26 -4.86 117.00 125.67 3fie n LEU 78 Ca 0.09 -0.29 0.07 0.00 -1.11 0.00 0.00 56.01 54.77 3fie n LEU 78 Cb 0.38 -2.23 -0.10 0.00 0.53 0.00 0.00 43.42 42.01 3fie n LEU 78 CO 0.63 0.32 -0.38 0.35 -1.11 0.00 0.00 177.39 177.20 3fie n THR 79 N -4.18 0.00 -4.22 1.96 -2.24 -1.15 -4.50 114.28 99.95 3fie n THR 79 Ca -0.03 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 3fie n THR 79 Cb 0.56 0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 69.25 3fie n THR 79 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3fie s THR 80 N -2.67 3.51 0.45 4.28 -4.23 -1.26 -5.01 115.64 110.71 3fie s THR 80 Ca -0.00 -1.36 0.20 0.00 -1.18 0.00 0.00 61.69 59.35 3fie s THR 80 Cb 0.10 -2.71 0.40 0.00 1.34 0.00 0.00 72.50 71.63 3fie s THR 80 CO 0.58 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.98 3fie h ASP 81 N 3.17 0.30 -0.31 3.99 5.19 -1.98 -0.28 116.42 126.50 3fie h ASP 81 Ca -0.48 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 3fie h ASP 81 Cb 1.18 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 3fie h ASP 81 CO 0.55 0.12 0.11 0.00 -3.12 0.00 0.00 179.24 176.90 3fie h ALA 82 N 1.61 0.41 -0.16 3.45 0.00 -1.99 -0.18 119.26 122.40 3fie h ALA 82 Ca 0.44 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3fie h ALA 82 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3fie h ALA 82 CO -0.13 0.03 -0.48 0.93 0.00 0.00 0.00 179.25 179.60 3fie h GLU 83 N 0.35 0.42 -0.12 0.00 5.08 -1.50 -2.38 114.58 116.43 3fie h GLU 83 Ca 0.10 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3fie h GLU 83 Cb 0.23 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3fie h GLU 83 CO -0.00 0.82 -0.38 0.87 -1.00 0.00 0.00 179.01 179.31 3fie h LYS 84 N 0.34 0.25 -0.37 2.33 1.57 -1.07 -0.89 116.57 118.74 3fie h LYS 84 Ca 0.02 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 3fie h LYS 84 Cb 0.97 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3fie h LYS 84 CO 0.08 0.60 -0.30 0.22 -0.57 0.00 0.00 179.45 179.49 3fie h ASP 85 N 0.21 0.90 0.05 0.86 3.58 -0.73 -0.83 116.42 120.47 3fie h ASP 85 Ca 0.02 -0.45 -0.00 0.00 0.42 0.00 0.00 57.03 57.02 3fie h ASP 85 Cb 0.77 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3fie h ASP 85 CO 0.06 1.16 -0.02 0.03 -2.88 0.00 0.00 179.24 177.58 3fie h ARG 86 N 0.65 -0.07 -0.79 0.28 3.08 -1.19 -1.67 114.38 114.68 3fie h ARG 86 Ca 0.07 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.17 3fie h ARG 86 Cb 0.88 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 3fie h ARG 86 CO 0.08 0.16 0.49 -0.92 -1.07 0.00 0.00 179.97 178.70 3fie h TYR 87 N -0.28 0.91 -0.05 3.04 3.20 -1.15 0.15 116.97 122.79 3fie h TYR 87 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3fie h TYR 87 Cb 0.25 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3fie h TYR 87 CO -0.00 0.49 0.02 1.25 -1.64 0.00 0.00 178.16 178.28 3fie h LEU 88 N 0.93 0.06 -1.41 2.82 5.85 -1.07 -1.92 115.31 120.58 3fie h LEU 88 Ca 0.33 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3fie h LEU 88 Cb 0.09 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3fie h LEU 88 CO -0.14 0.21 -0.23 0.11 -0.34 0.00 0.00 178.44 178.05 3fie h LYS 89 N -0.09 0.00 0.01 1.25 1.57 -0.89 -1.82 116.57 116.60 3fie h LYS 89 Ca 0.02 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 3fie h LYS 89 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.50 3fie h LYS 89 CO -0.00 0.23 -1.05 1.15 -0.57 0.00 0.00 179.45 179.21 3fie h THR 90 N 0.00 1.29 -0.35 -0.16 2.02 -0.59 -2.46 112.91 112.66 3fie h THR 90 Ca -0.00 -2.28 -0.14 0.00 0.77 0.00 0.00 66.41 64.76 3fie h THR 90 Cb 0.60 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3fie h THR 90 CO 0.03 0.70 -0.32 0.74 0.37 0.00 0.00 175.52 177.04 3fie h THR 91 N 0.37 1.28 -0.22 3.16 2.02 -1.14 -2.16 112.91 116.22 3fie h THR 91 Ca -0.13 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.58 3fie h THR 91 Cb 1.70 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 3fie h THR 91 CO 0.20 0.49 0.14 0.40 0.37 0.00 0.00 175.52 177.12 3fie h ILE 92 N 0.65 1.08 -0.92 3.11 1.08 -1.36 -1.12 117.51 120.04 3fie h ILE 92 Ca 0.07 -0.17 0.03 0.00 -0.39 0.00 0.00 64.86 64.40 3fie h ILE 92 Cb 0.86 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 3fie h ILE 92 CO 0.08 0.07 0.60 0.50 -0.69 0.00 0.00 178.15 178.71 3fie h LYS 93 N 0.28 1.13 -0.19 2.37 3.64 -1.32 -0.39 116.57 122.09 3fie h LYS 93 Ca 0.08 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3fie h LYS 93 Cb 0.00 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3fie h LYS 93 CO -0.02 0.75 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.46 3fie h LEU 94 N 1.16 0.43 -0.64 5.20 3.38 -1.03 -0.59 115.31 123.22 3fie h LEU 94 Ca 0.36 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3fie h LEU 94 Cb -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3fie h LEU 94 CO -0.12 0.77 -0.07 -0.26 0.09 0.00 0.00 178.44 178.85 3fie h PHE 95 N 0.35 1.10 -0.47 1.13 0.04 -0.34 -0.86 116.94 117.89 3fie h PHE 95 Ca 0.04 -0.21 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 3fie h PHE 95 Cb 0.82 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 3fie h PHE 95 CO 0.02 1.01 -0.07 0.87 -0.60 0.00 0.00 178.31 179.54 3fie h LYS 96 N 0.90 0.82 -0.45 1.51 1.57 -0.76 -0.16 116.57 119.99 3fie h LYS 96 Ca 0.15 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3fie h LYS 96 Cb 0.62 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3fie h LYS 96 CO 0.04 0.87 0.20 -0.09 -0.57 0.00 0.00 179.45 179.90 3fie h ARG 97 N 0.75 0.66 -0.78 3.15 2.43 -0.74 0.16 114.38 120.01 3fie h ARG 97 Ca 0.13 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3fie h ARG 97 Cb 0.55 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 3fie h ARG 97 CO 0.03 0.58 0.39 0.82 -1.51 0.00 0.00 179.97 180.29 3fie h ILE 98 N 0.59 1.24 0.00 1.20 2.04 -0.80 -1.75 117.51 120.03 3fie h ILE 98 Ca 0.15 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3fie h ILE 98 Cb 0.15 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3fie h ILE 98 CO -0.02 0.28 0.00 -3.20 0.00 0.00 0.00 178.15 175.21 3fie n ASN 99 N -4.33 0.64 0.09 1.72 5.15 -0.10 -3.29 115.26 115.14 3fie n ASN 99 Ca 0.08 0.63 0.13 0.00 -0.60 0.00 0.00 54.58 54.81 3fie n ASN 99 Cb 0.12 -0.77 0.45 0.00 -0.53 0.00 0.00 39.78 39.05 3fie n ASN 99 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3fie n SER 100 N -2.18 0.62 -4.37 1.20 3.41 0.49 -4.48 113.62 108.32 3fie n SER 100 Ca 0.03 0.58 -0.32 0.00 -0.26 0.00 0.00 58.87 58.90 3fie n SER 100 Cb 0.28 -0.74 -0.15 0.00 -0.26 0.00 0.00 64.21 63.35 3fie n SER 100 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3fie s ASN 101 N -4.17 3.64 0.44 4.04 3.84 -1.21 -5.02 114.94 116.50 3fie s ASN 101 Ca 0.10 -0.35 0.21 0.00 0.21 0.00 0.00 52.86 53.03 3fie s ASN 101 Cb 0.13 -0.97 1.18 0.00 -0.55 0.00 0.00 41.25 41.04 3fie s ASN 101 CO 0.53 0.27 1.83 -0.65 -2.79 0.00 0.00 177.10 176.29 3fie h PRO 102 N 5.88 0.30 -0.47 0.43 0.11 -1.87 0.20 132.00 136.58 3fie h PRO 102 Ca -0.37 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 3fie h PRO 102 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fie h PRO 102 CO 0.50 0.20 -0.19 0.00 -0.21 0.00 0.00 178.00 178.30 3fie h ALA 103 N 1.59 0.76 -0.01 -0.75 0.00 -1.95 -2.70 119.26 116.19 3fie h ALA 103 Ca 0.52 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 3fie h ALA 103 Cb 1.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3fie h ALA 103 CO -0.18 0.66 -0.83 0.78 0.00 0.00 0.00 179.25 179.68 3fie h GLY 104 N 0.91 0.21 0.86 0.00 0.00 -0.99 -3.09 103.07 100.98 3fie h GLY 104 Ca 0.11 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.12 3fie h GLY 104 CO 0.06 0.31 0.31 0.83 0.00 0.00 0.00 176.54 178.05 3fie h GLU 105 N 0.11 0.60 -0.32 4.80 5.08 -0.58 -1.95 114.58 122.32 3fie h GLU 105 Ca -0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3fie h GLU 105 Cb 1.44 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 3fie h GLU 105 CO 0.13 0.40 0.02 0.28 -1.00 0.00 0.00 179.01 178.83 3fie h VAL 106 N 0.62 1.18 -0.38 3.13 2.07 -1.48 -1.30 116.25 120.09 3fie h VAL 106 Ca 0.21 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 3fie h VAL 106 Cb 0.03 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3fie h VAL 106 CO -0.10 0.23 -0.17 0.25 0.02 0.00 0.00 177.57 177.80 3fie h LEU 107 N 0.46 0.80 -0.57 2.57 5.85 -1.32 -2.00 115.31 121.11 3fie h LEU 107 Ca 0.10 -0.40 -0.14 0.00 0.84 0.00 0.00 57.88 58.28 3fie h LEU 107 Cb 0.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3fie h LEU 107 CO 0.01 1.02 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.69 3fie h LEU 108 N 0.58 0.78 -0.03 2.25 3.38 -1.08 -1.12 115.31 120.07 3fie h LEU 108 Ca 0.09 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3fie h LEU 108 Cb 0.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3fie h LEU 108 CO 0.05 1.07 -0.03 1.56 0.09 0.00 0.00 178.44 181.18 3fie h GLN 109 N 0.61 -0.04 -0.74 1.13 4.20 -1.18 -0.63 115.11 118.45 3fie h GLN 109 Ca 0.06 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.79 3fie h GLN 109 Cb 0.91 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 3fie h GLN 109 CO 0.08 -0.03 0.48 0.93 -0.67 0.00 0.00 178.83 179.63 3fie h GLU 110 N -0.04 0.94 -0.87 1.46 4.39 -1.20 -0.44 114.58 118.83 3fie h GLU 110 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3fie h GLU 110 Cb 0.08 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 3fie h GLU 110 CO -0.05 0.62 0.52 0.82 -1.16 0.00 0.00 179.01 179.76 3fie h ILE 111 N 0.97 1.24 0.00 3.13 1.08 -0.91 -0.86 117.51 122.15 3fie h ILE 111 Ca 0.28 -0.52 -0.10 0.00 -0.39 0.00 0.00 64.86 64.13 3fie h ILE 111 Cb -0.06 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.70 3fie h ILE 111 CO -0.08 0.25 -0.49 -1.28 -0.69 0.00 0.00 178.15 175.86 3fie h SER 112 N 1.19 0.00 0.66 1.72 0.87 -0.21 -3.11 113.55 114.67 3fie h SER 112 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3fie h SER 112 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3fie h SER 112 CO -0.06 0.49 -0.72 -1.22 -0.53 0.00 0.00 176.83 174.80 3fie n TYR 113 N -3.95 0.35 -1.01 2.24 4.01 -0.26 -4.64 117.16 113.91 3fie n TYR 113 Ca -0.02 0.10 -0.29 0.00 -0.16 0.00 0.00 57.90 57.54 3fie n TYR 113 Cb 0.51 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 3fie n TYR 113 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fie n ALA 114 N -1.76 6.08 -2.16 -0.72 0.00 -0.36 -4.95 120.51 116.65 3fie n ALA 114 Ca 0.03 -2.64 -0.42 0.00 0.00 0.00 0.00 53.44 50.42 3fie n ALA 114 Cb 0.42 -3.10 -0.03 0.00 0.00 0.00 0.00 19.45 16.73 3fie n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fie s LYS 115 N 2.64 4.37 0.53 0.00 1.02 -1.26 -4.84 119.74 122.20 3fie s LYS 115 Ca 0.55 2.00 -0.21 0.00 0.02 0.00 0.00 55.97 58.33 3fie s LYS 115 Cb 0.15 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 3fie s LYS 115 CO -0.04 -0.33 1.23 -2.14 -0.92 0.00 0.00 175.35 173.15 3fie s PRO 116 N 0.65 3.31 0.55 -1.68 0.02 -1.26 -4.94 135.00 131.65 3fie s PRO 116 Ca 0.60 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 63.33 3fie s PRO 116 Cb -0.35 -2.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 3fie s PRO 116 CO 0.33 -0.96 1.36 0.98 -0.33 0.00 0.00 177.00 178.37 3fie n TYR 117 N -1.03 2.30 -2.18 6.54 9.36 -0.16 -4.85 117.16 127.14 3fie n TYR 117 Ca 0.10 0.43 -0.42 0.00 3.32 0.00 0.00 57.90 61.33 3fie n TYR 117 Cb 0.48 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.83 3fie n TYR 117 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3fie n LEU 118 N -1.00 6.71 0.00 2.98 4.77 -1.26 -4.80 117.00 124.40 3fie n LEU 118 Ca 0.10 -4.51 0.00 0.00 -0.03 0.00 0.00 56.01 51.57 3fie n LEU 118 Cb 0.45 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3fie n LEU 118 CO 0.53 1.31 0.00 0.61 -1.33 0.00 0.00 177.39 178.51 3fie n GLY 119 N 3.14 -0.99 0.00 -0.72 0.00 -1.26 -0.53 105.19 104.84 3fie n GLY 119 Ca 0.43 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3fie n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fie n ASN 120 N 3.00 0.00 0.18 1.61 0.23 -1.26 -4.94 115.26 114.08 3fie n ASN 120 Ca 0.00 -0.45 0.06 0.00 -0.53 0.00 0.00 54.58 53.66 3fie n ASN 120 Cb 0.00 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.26 3fie n ASN 120 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3fie h GLU 121 N 0.00 0.15 -0.63 -3.83 4.57 -1.98 -2.85 114.58 110.01 3fie h GLU 121 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3fie h GLU 121 Cb 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3fie h GLU 121 CO 0.00 0.13 0.00 0.72 -1.18 0.00 0.00 179.01 178.68 3fie n HIS 122 N -4.49 1.70 -4.37 0.92 8.25 -1.26 -4.93 115.22 111.04 3fie n HIS 122 Ca -0.01 -0.63 -0.27 0.00 -0.26 0.00 0.00 57.72 56.56 3fie n HIS 122 Cb 0.11 -0.36 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 3fie n HIS 122 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3fie s THR 123 N -2.23 2.70 -0.21 1.59 -4.23 -1.08 -5.07 115.64 107.12 3fie s THR 123 Ca 0.50 -1.92 -0.39 0.00 -1.18 0.00 0.00 61.69 58.71 3fie s THR 123 Cb 0.35 -2.33 -0.15 0.00 1.34 0.00 0.00 72.50 71.71 3fie s THR 123 CO 0.20 -0.14 1.70 -2.65 -0.54 0.00 0.00 174.62 173.19 3fie n PRO 124 N 0.09 1.26 -0.30 3.99 -0.02 -1.26 -4.73 135.00 134.02 3fie n PRO 124 Ca -0.11 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3fie n PRO 124 Cb 0.56 -2.15 0.33 0.00 -0.02 0.00 0.00 33.50 32.22 3fie n PRO 124 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3fie h ILE 125 N 4.98 0.86 -0.06 4.25 2.10 -1.94 -2.00 117.51 125.70 3fie h ILE 125 Ca -0.47 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.20 3fie h ILE 125 Cb 1.32 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 3fie h ILE 125 CO 0.94 0.15 0.00 -0.46 -1.08 0.00 0.00 178.15 177.69 3fie n ASN 126 N -4.59 0.99 -4.01 2.19 6.94 -1.26 -4.15 115.26 111.36 3fie n ASN 126 Ca 0.18 -2.05 -0.10 0.00 -0.02 0.00 0.00 54.58 52.60 3fie n ASN 126 Cb 0.43 -0.32 -0.08 0.00 -2.36 0.00 0.00 39.78 37.45 3fie n ASN 126 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 3fie s GLU 127 N -1.47 1.08 -0.31 -3.83 -1.05 -0.75 -0.94 118.70 111.42 3fie s GLU 127 Ca 0.05 -1.25 -0.11 0.00 -0.15 0.00 0.00 54.97 53.51 3fie s GLU 127 Cb 0.03 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 34.04 3fie s GLU 127 CO 0.02 -0.37 0.19 -0.06 0.95 0.00 0.00 175.26 175.99 3fie s PHE 128 N -3.99 3.20 -0.74 4.83 0.08 -0.50 -4.84 117.98 116.01 3fie s PHE 128 Ca 0.19 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.95 3fie s PHE 128 Cb 0.05 -2.40 0.22 0.00 -0.57 0.00 0.00 43.02 40.32 3fie s PHE 128 CO 0.00 -0.37 0.74 1.58 -0.10 0.00 0.00 175.22 177.07 3fie n HIS 129 N 5.04 3.52 -0.04 0.36 -0.00 0.31 -4.25 115.22 120.15 3fie n HIS 129 Ca -0.13 -4.07 -0.08 0.00 0.46 0.00 0.00 57.72 53.89 3fie n HIS 129 Cb 0.50 -0.74 0.08 0.00 -0.12 0.00 0.00 29.99 29.72 3fie n HIS 129 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3fie h PRO 130 N 4.96 0.66 -5.98 1.57 0.13 -1.96 -3.37 132.00 128.02 3fie h PRO 130 Ca 0.18 -0.32 -0.46 0.00 -0.87 0.00 0.00 66.00 64.52 3fie h PRO 130 Cb 0.71 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.77 3fie h PRO 130 CO 0.85 0.92 1.13 0.08 -0.23 0.00 0.00 178.00 180.75 3fie s VAL 131 N -4.34 3.61 -0.21 1.56 1.01 -1.26 -3.72 120.40 117.04 3fie s VAL 131 Ca -0.08 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 3fie s VAL 131 Cb 0.12 -4.44 0.16 0.00 0.00 0.00 0.00 36.38 32.22 3fie s VAL 131 CO 0.83 -1.37 1.18 0.28 0.00 0.00 0.00 175.10 176.03 3fie s THR 132 N 7.73 0.00 0.56 3.92 -1.32 -1.26 -5.03 115.64 120.23 3fie s THR 132 Ca 0.57 0.00 0.31 0.00 -1.21 0.00 0.00 61.69 61.36 3fie s THR 132 Cb -0.06 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.38 3fie s THR 132 CO 0.03 0.00 1.87 -0.09 -2.21 0.00 0.00 174.62 174.23 3fie h ARG 133 N 2.22 0.00 0.00 7.08 2.43 -1.87 -1.38 114.38 122.86 3fie h ARG 133 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3fie h ARG 133 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3fie h ARG 133 CO 0.26 0.00 0.00 1.79 -1.51 0.00 0.00 179.97 180.51 3fie h THR 134 N 0.00 0.00 0.00 0.20 1.35 -1.89 -3.38 112.91 109.19 3fie h THR 134 Ca 0.36 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3fie h THR 134 Cb 1.58 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3fie h THR 134 CO -0.00 0.00 -0.23 0.35 -0.25 0.00 0.00 175.52 175.38 3fie n THR 135 N -2.51 0.00 -4.14 6.82 -2.24 -0.76 -0.39 114.28 111.05 3fie n THR 135 Ca 0.05 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 3fie n THR 135 Cb 0.43 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 3fie n THR 135 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fie s SER 136 N -0.77 0.89 0.23 3.42 1.04 -0.59 -3.45 113.70 114.46 3fie s SER 136 Ca 0.00 -1.00 0.11 0.00 0.48 0.00 0.00 55.95 55.54 3fie s SER 136 Cb 0.00 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 3fie s SER 136 CO 0.00 -0.51 -0.20 0.68 0.98 0.00 0.00 173.24 174.18 3fie s VAL 137 N -3.72 2.26 0.06 5.02 -7.23 -0.44 -4.45 120.40 111.91 3fie s VAL 137 Ca 0.10 -2.21 -0.17 0.00 -1.81 0.00 0.00 61.98 57.88 3fie s VAL 137 Cb 0.06 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 3fie s VAL 137 CO -0.07 -0.33 0.52 0.20 -0.31 0.00 0.00 175.10 175.11 3fie s ASN 138 N -3.13 6.96 0.14 4.85 0.01 -1.26 -1.94 114.94 120.57 3fie s ASN 138 Ca 0.24 1.15 0.02 0.00 -0.71 0.00 0.00 52.86 53.57 3fie s ASN 138 Cb -0.05 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 3fie s ASN 138 CO 0.11 0.26 -0.04 0.27 -1.51 0.00 0.00 177.10 176.20 3fie s ILE 139 N -1.16 0.75 -0.09 0.60 -4.36 -0.04 -1.39 121.20 115.51 3fie s ILE 139 Ca 0.29 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 3fie s ILE 139 Cb -0.18 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.63 3fie s ILE 139 CO 0.18 -0.65 -0.02 -0.75 0.24 0.00 0.00 174.94 173.93 3fie s LYS 140 N -3.86 0.85 0.88 0.37 2.20 -0.70 -1.60 119.74 117.88 3fie s LYS 140 Ca 0.19 -0.02 -0.13 0.00 -0.36 0.00 0.00 55.97 55.65 3fie s LYS 140 Cb 0.05 -1.20 0.13 0.00 -1.51 0.00 0.00 37.83 35.30 3fie s LYS 140 CO 0.00 -0.31 1.19 -1.54 -0.36 0.00 0.00 175.35 174.34 3fie s SER 141 N 1.90 3.81 0.57 1.43 1.04 -0.65 -3.82 113.70 117.97 3fie s SER 141 Ca 0.05 0.72 0.29 0.00 0.48 0.00 0.00 55.95 57.48 3fie s SER 141 Cb -0.13 -1.13 1.69 0.00 0.10 0.00 0.00 66.02 66.55 3fie s SER 141 CO -0.06 -2.34 2.19 0.77 0.98 0.00 0.00 173.24 174.78 3fie h SER 142 N -1.36 0.00 -0.48 7.02 4.64 -1.95 0.16 113.55 121.59 3fie h SER 142 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fie h SER 142 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3fie h SER 142 CO 0.58 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.94 3fie n THR 143 N -3.77 2.06 -3.08 2.95 -2.24 -1.26 -4.92 114.28 104.03 3fie n THR 143 Ca -0.03 -1.09 -0.22 0.00 -2.27 0.00 0.00 64.05 60.45 3fie n THR 143 Cb 0.14 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.14 3fie n THR 143 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fie n ASN 144 N 0.59 -5.19 -4.62 3.42 4.13 0.55 -4.98 115.26 109.15 3fie n ASN 144 Ca 0.22 -0.28 -0.39 0.00 1.68 0.00 0.00 54.58 55.81 3fie n ASN 144 Cb 0.96 -4.23 -0.08 0.00 -1.54 0.00 0.00 39.78 34.88 3fie n ASN 144 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3fie s VAL 145 N -3.06 5.12 0.13 2.41 1.01 -1.26 -4.81 120.40 119.95 3fie s VAL 145 Ca 0.31 0.76 -0.24 0.00 0.00 0.00 0.00 61.98 62.81 3fie s VAL 145 Cb -0.15 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3fie s VAL 145 CO 0.38 0.14 0.73 -0.54 0.00 0.00 0.00 175.10 175.81 3fie s LYS 146 N 2.04 4.48 0.00 2.72 3.01 -1.26 -1.63 119.74 129.09 3fie s LYS 146 Ca 0.19 1.05 0.00 0.00 -1.01 0.00 0.00 55.97 56.20 3fie s LYS 146 Cb -0.16 -3.27 0.00 0.00 -1.01 0.00 0.00 37.83 33.39 3fie s LYS 146 CO 0.09 0.55 0.00 -1.13 0.51 0.00 0.00 175.35 175.37 3fie n SER 147 N 1.79 0.00 -3.90 2.83 3.41 -0.63 -5.01 113.62 112.11 3fie n SER 147 Ca -0.06 -0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 57.97 3fie n SER 147 Cb 0.49 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 3fie n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fie s SER 148 N 0.51 0.16 0.05 4.04 1.04 -1.26 -0.86 113.70 117.38 3fie s SER 148 Ca 0.00 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.83 3fie s SER 148 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 3fie s SER 148 CO 0.00 -0.62 -0.03 0.27 0.98 0.00 0.00 173.24 173.84 3fie s ILE 149 N -3.23 0.24 0.22 -1.02 -4.36 -0.82 -4.95 121.20 107.28 3fie s ILE 149 Ca 0.00 -1.59 -0.00 0.00 -0.26 0.00 0.00 60.65 58.80 3fie s ILE 149 Cb 0.02 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 3fie s ILE 149 CO -0.07 -0.86 0.41 0.27 0.24 0.00 0.00 174.94 174.93 3fie s ILE 150 N -3.25 5.19 0.35 8.37 -4.36 -1.26 -1.33 121.20 124.91 3fie s ILE 150 Ca 0.01 -0.41 -0.16 0.00 -0.26 0.00 0.00 60.65 59.83 3fie s ILE 150 Cb 0.03 -3.76 0.04 0.00 1.25 0.00 0.00 42.46 40.03 3fie s ILE 150 CO -0.07 -0.23 0.74 -1.48 0.24 0.00 0.00 174.94 174.14 3fie s LEU 151 N -3.48 0.01 -0.18 0.37 0.05 -1.22 -4.95 118.68 109.27 3fie s LEU 151 Ca 0.38 -1.01 -0.11 0.00 0.05 0.00 0.00 54.13 53.44 3fie s LEU 151 Cb -0.11 2.69 -0.08 0.00 -2.05 0.00 0.00 46.19 46.64 3fie s LEU 151 CO 0.30 -1.55 -0.26 0.59 -0.55 0.00 0.00 176.35 174.87 3fie n ASN 152 N -1.11 1.49 -3.99 1.48 3.02 -0.22 -4.66 115.26 111.27 3fie n ASN 152 Ca -0.06 0.25 -0.19 0.00 -0.03 0.00 0.00 54.58 54.55 3fie n ASN 152 Cb 0.60 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 39.01 3fie n ASN 152 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3fie s LEU 153 N -7.23 1.84 -0.12 3.41 2.96 -0.77 -1.24 118.68 117.54 3fie s LEU 153 Ca -0.27 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3fie s LEU 153 Cb 0.09 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.32 3fie s LEU 153 CO 0.35 0.07 -0.22 -0.22 -1.32 0.00 0.00 176.35 175.01 3fie s LEU 154 N 0.10 2.18 -0.20 -0.68 2.96 -0.74 -1.49 118.68 120.81 3fie s LEU 154 Ca -0.01 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 3fie s LEU 154 Cb -0.07 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 3fie s LEU 154 CO 0.00 0.13 0.06 -0.69 -1.32 0.00 0.00 176.35 174.53 3fie s VAL 155 N 0.53 4.59 0.23 1.68 1.01 0.08 -1.49 120.40 127.03 3fie s VAL 155 Ca -0.13 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 61.86 3fie s VAL 155 Cb -0.17 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3fie s VAL 155 CO 0.05 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 174.60 3fie s LEU 156 N 0.78 2.56 1.12 3.92 1.43 -0.31 -1.30 118.68 126.88 3fie s LEU 156 Ca 0.03 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.05 3fie s LEU 156 Cb -0.14 -1.19 0.25 0.00 0.03 0.00 0.00 46.19 45.14 3fie s LEU 156 CO 0.02 0.08 1.12 -0.83 0.23 0.00 0.00 176.35 176.98 3fie s GLY 157 N -3.06 1.59 0.32 -3.19 0.00 0.19 -1.59 107.32 101.59 3fie s GLY 157 Ca 0.25 -0.80 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 3fie s GLY 157 CO 0.13 -0.01 0.92 0.00 0.00 0.00 0.00 173.10 174.14 3fie n ALA 158 N -4.49 -0.51 -1.02 3.20 0.00 -1.25 -2.12 120.51 114.32 3fie n ALA 158 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3fie n ALA 158 Cb 0.59 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3fie n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fie n GLY 159 N 1.33 0.35 0.27 0.00 0.00 -1.26 -2.15 105.19 103.73 3fie n GLY 159 Ca 0.10 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.54 3fie n GLY 159 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fie h PRO 160 N 0.00 0.83 -5.55 1.61 0.13 -1.86 -3.37 132.00 123.80 3fie h PRO 160 Ca 0.00 -0.05 -0.63 0.00 -0.87 0.00 0.00 66.00 64.45 3fie h PRO 160 Cb 0.00 -0.19 -0.14 0.00 0.13 0.00 0.00 31.00 30.80 3fie h PRO 160 CO 0.00 0.55 0.52 0.34 -0.23 0.00 0.00 178.00 179.18 3fie s ASP 161 N -5.75 6.23 0.61 1.44 2.15 -1.26 -4.47 116.67 115.62 3fie s ASP 161 Ca -0.13 -0.78 0.31 0.00 0.43 0.00 0.00 52.55 52.38 3fie s ASP 161 Cb 0.15 -2.42 1.74 0.00 -0.30 0.00 0.00 42.92 42.09 3fie s ASP 161 CO 0.77 -1.35 2.09 0.40 -0.17 0.00 0.00 175.17 176.91 3fie h ILE 162 N 5.98 0.33 0.00 4.11 1.08 -1.35 -1.33 117.51 126.33 3fie h ILE 162 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3fie h ILE 162 Cb 1.07 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 3fie h ILE 162 CO 1.14 0.00 0.00 -0.26 -0.69 0.00 0.00 178.15 178.34 3fie h PHE 163 N 0.00 0.00 -3.60 1.37 0.04 -1.91 -3.44 116.94 109.40 3fie h PHE 163 Ca 0.07 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.22 3fie h PHE 163 Cb 0.50 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.52 3fie h PHE 163 CO 0.00 0.00 -0.03 -2.00 -0.60 0.00 0.00 178.31 175.68 3fie s GLU 164 N -3.32 4.05 -0.05 1.51 2.12 -0.50 -5.02 118.70 117.49 3fie s GLU 164 Ca 0.06 0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.65 3fie s GLU 164 Cb 0.08 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 3fie s GLU 164 CO 0.58 -0.36 0.13 -0.80 -0.54 0.00 0.00 175.26 174.27 3fie s ASN 165 N 1.56 6.11 0.26 -1.70 0.01 -1.26 -4.64 114.94 115.27 3fie s ASN 165 Ca 0.21 0.32 -0.18 0.00 -0.71 0.00 0.00 52.86 52.50 3fie s ASN 165 Cb -0.16 -1.89 0.01 0.00 0.41 0.00 0.00 41.25 39.63 3fie s ASN 165 CO 0.09 0.32 0.62 -0.94 -1.51 0.00 0.00 177.10 175.68 3fie s SER 166 N -1.52 -0.22 -0.10 -1.22 1.04 -0.43 -4.98 113.70 106.28 3fie s SER 166 Ca 0.21 -0.68 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 3fie s SER 166 Cb -0.12 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.71 3fie s SER 166 CO 0.12 -1.24 0.22 -0.55 0.98 0.00 0.00 173.24 172.77 3fie s SER 167 N -2.94 -0.00 -0.10 7.02 0.15 -1.26 -0.70 113.70 115.87 3fie s SER 167 Ca 0.14 0.47 -0.17 0.00 0.70 0.00 0.00 55.95 57.10 3fie s SER 167 Cb -0.04 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.72 3fie s SER 167 CO 0.06 -0.19 0.42 -0.72 1.20 0.00 0.00 173.24 174.01 3fie s TYR 168 N 1.59 -0.40 0.71 3.44 -0.85 -0.41 -4.96 117.35 116.47 3fie s TYR 168 Ca -0.06 0.86 -0.11 0.00 -0.52 0.00 0.00 57.07 57.24 3fie s TYR 168 Cb -0.11 0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.41 3fie s TYR 168 CO -0.08 -0.33 1.07 -1.25 -1.52 0.00 0.00 175.55 173.45 3fie s PRO 169 N -0.46 2.85 0.26 -3.49 0.04 -1.26 -0.46 135.00 132.47 3fie s PRO 169 Ca -0.06 0.68 -0.22 0.00 0.04 0.00 0.00 61.00 61.44 3fie s PRO 169 Cb -0.03 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 3fie s PRO 169 CO 0.03 -1.09 0.81 0.08 0.04 0.00 0.00 177.00 176.86 3fie s VAL 170 N -3.20 4.43 0.37 -0.36 1.01 0.34 -4.80 120.40 118.18 3fie s VAL 170 Ca 0.58 1.50 0.08 0.00 0.00 0.00 0.00 61.98 64.14 3fie s VAL 170 Cb -0.13 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 3fie s VAL 170 CO 0.54 0.20 -0.03 -0.13 0.00 0.00 0.00 175.10 175.68 3fie s ARG 171 N -1.96 1.86 -0.35 2.72 0.52 -1.26 -4.63 118.95 115.85 3fie s ARG 171 Ca 0.45 -2.01 -0.16 0.00 -0.52 0.00 0.00 55.73 53.49 3fie s ARG 171 Cb -0.18 -1.56 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 3fie s ARG 171 CO 0.22 0.01 0.40 0.21 0.02 0.00 0.00 175.30 176.16 3fie s LYS 172 N -3.69 3.56 -0.16 3.54 2.20 -0.20 -4.75 119.74 120.24 3fie s LYS 172 Ca 0.34 -0.37 -0.27 0.00 -0.36 0.00 0.00 55.97 55.31 3fie s LYS 172 Cb 0.07 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3fie s LYS 172 CO 0.17 -0.56 0.90 -0.51 -0.36 0.00 0.00 175.35 174.98 3fie s LEU 173 N 2.11 4.18 0.73 5.43 1.43 -1.26 -0.97 118.68 130.33 3fie s LEU 173 Ca 0.13 1.28 -0.00 0.00 -1.03 0.00 0.00 54.13 54.51 3fie s LEU 173 Cb -0.16 -3.34 0.13 0.00 0.03 0.00 0.00 46.19 42.85 3fie s LEU 173 CO 0.12 -0.44 1.00 -0.04 0.23 0.00 0.00 176.35 177.22 3fie s MET 174 N 2.24 1.64 0.20 1.70 -1.94 0.30 -4.98 119.30 118.46 3fie s MET 174 Ca 0.41 -1.16 0.25 0.00 -1.71 0.00 0.00 55.69 53.48 3fie s MET 174 Cb -0.17 -2.33 0.60 0.00 2.01 0.00 0.00 34.83 34.94 3fie s MET 174 CO 0.13 -1.47 1.60 -0.44 -0.01 0.00 0.00 175.02 174.82 3fie h ASP 175 N -0.54 0.00 -0.38 3.03 3.32 -1.97 -3.30 116.42 116.58 3fie h ASP 175 Ca -0.36 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3fie h ASP 175 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3fie h ASP 175 CO 0.39 0.03 0.00 -0.24 -1.72 0.00 0.00 179.24 177.71 3fie n SER 176 N -2.29 3.28 0.00 6.45 2.88 -1.26 -4.80 113.62 117.89 3fie n SER 176 Ca 0.05 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 3fie n SER 176 Cb 0.44 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 3fie n SER 176 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fie n GLY 177 N 0.69 0.80 3.88 0.46 0.00 -1.24 -4.97 105.19 104.81 3fie n GLY 177 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3fie n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fie s GLY 178 N -2.00 1.67 -0.06 -0.02 0.00 -1.26 -4.91 107.32 100.75 3fie s GLY 178 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.49 3fie s GLY 178 CO 0.00 -0.02 -0.08 0.14 0.00 0.00 0.00 173.10 173.14 3fie s VAL 179 N -2.84 0.81 -0.19 1.40 1.01 -1.26 -0.54 120.40 118.79 3fie s VAL 179 Ca 0.52 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 3fie s VAL 179 Cb -0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3fie s VAL 179 CO 0.45 0.29 0.10 -0.47 0.00 0.00 0.00 175.10 175.47 3fie s TYR 180 N 0.95 3.35 -0.40 5.22 5.04 -0.14 -4.96 117.35 126.41 3fie s TYR 180 Ca -0.10 0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.66 3fie s TYR 180 Cb -0.15 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.11 3fie s TYR 180 CO 0.00 0.26 0.23 0.34 -1.34 0.00 0.00 175.55 175.04 3fie s ASP 181 N 0.28 5.66 0.53 4.32 -1.08 -1.26 -1.04 116.67 124.08 3fie s ASP 181 Ca 0.06 -1.28 0.35 0.00 -0.52 0.00 0.00 52.55 51.16 3fie s ASP 181 Cb -0.12 -2.00 1.84 0.00 -1.46 0.00 0.00 42.92 41.18 3fie s ASP 181 CO -0.01 -0.47 2.08 -0.65 0.52 0.00 0.00 175.17 176.64 3fie h PRO 182 N 8.42 0.00 -0.00 4.34 0.11 -1.86 -1.49 132.00 141.51 3fie h PRO 182 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3fie h PRO 182 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fie h PRO 182 CO 0.72 0.00 -0.12 0.43 -0.21 0.00 0.00 178.00 178.81 3fie n SER 183 N -2.79 0.30 0.00 -2.05 7.64 -1.26 -0.10 113.62 115.36 3fie n SER 183 Ca -0.02 -0.22 0.11 0.00 1.01 0.00 0.00 58.87 59.75 3fie n SER 183 Cb 0.10 -0.15 0.12 0.00 -1.01 0.00 0.00 64.21 63.27 3fie n SER 183 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3fie n ASN 184 N -1.20 0.67 -1.75 6.43 5.03 -0.56 -1.12 115.26 122.75 3fie n ASN 184 Ca 0.11 -0.49 -0.01 0.00 0.87 0.00 0.00 54.58 55.07 3fie n ASN 184 Cb 0.29 0.51 0.07 0.00 -1.02 0.00 0.00 39.78 39.63 3fie n ASN 184 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3fie n ASP 185 N -1.52 1.90 0.00 6.41 5.75 -1.22 -3.63 116.55 124.24 3fie n ASP 185 Ca 0.05 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 3fie n ASP 185 Cb 0.34 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3fie n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fie n GLY 186 N -0.32 2.82 0.22 6.12 0.00 0.19 -4.79 105.19 109.43 3fie n GLY 186 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3fie n GLY 186 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fie h PHE 187 N 0.00 0.74 -0.15 1.61 0.04 -1.79 -3.33 116.94 114.06 3fie h PHE 187 Ca 0.00 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.70 3fie h PHE 187 Cb 0.00 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 3fie h PHE 187 CO 0.00 0.67 -0.04 0.41 -0.60 0.00 0.00 178.31 178.75 3fie n GLY 188 N -0.63 -2.07 3.78 -1.45 0.00 0.86 -0.99 105.19 104.69 3fie n GLY 188 Ca 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.51 3fie n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fie s SER 189 N -4.96 -0.17 0.15 1.61 1.04 -1.26 -4.40 113.70 105.71 3fie s SER 189 Ca 0.00 -0.46 -0.34 0.00 0.48 0.00 0.00 55.95 55.63 3fie s SER 189 Cb 0.00 0.53 -0.14 0.00 0.10 0.00 0.00 66.02 66.51 3fie s SER 189 CO 0.00 -0.98 1.57 -0.38 0.98 0.00 0.00 173.24 174.43 3fie n ILE 190 N -0.49 0.01 -4.19 -1.02 5.41 0.47 -4.58 119.36 114.98 3fie n ILE 190 Ca -0.06 -0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.35 3fie n ILE 190 Cb 0.60 -1.51 -0.12 0.00 -0.71 0.00 0.00 39.64 37.90 3fie n ILE 190 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3fie s ASN 191 N 0.97 5.01 -0.20 4.38 3.84 -0.37 -0.51 114.94 128.06 3fie s ASN 191 Ca 0.79 -0.11 -0.16 0.00 0.21 0.00 0.00 52.86 53.60 3fie s ASN 191 Cb -0.69 -1.84 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 3fie s ASN 191 CO 0.39 0.13 0.39 -0.63 -2.79 0.00 0.00 177.10 174.58 3fie s ILE 192 N 0.61 5.21 -0.19 -5.21 -1.09 0.40 -1.79 121.20 119.13 3fie s ILE 192 Ca -0.00 0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 59.10 3fie s ILE 192 Cb -0.14 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3fie s ILE 192 CO 0.02 0.26 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.15 3fie s VAL 193 N 1.25 2.49 -0.38 2.92 1.01 -0.56 -1.29 120.40 125.84 3fie s VAL 193 Ca 0.19 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 3fie s VAL 193 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3fie s VAL 193 CO 0.08 0.50 0.43 -0.89 0.00 0.00 0.00 175.10 175.22 3fie s THR 194 N 1.35 5.10 -0.15 3.92 2.01 0.12 -1.16 115.64 126.84 3fie s THR 194 Ca 0.05 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.97 3fie s THR 194 Cb -0.13 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.42 3fie s THR 194 CO -0.10 -0.29 -0.20 0.12 -0.69 0.00 0.00 174.62 173.46 3fie s PHE 195 N 2.16 2.70 -0.42 4.92 5.36 -0.62 -1.31 117.98 130.77 3fie s PHE 195 Ca 0.13 -1.30 0.02 0.00 -0.96 0.00 0.00 56.93 54.82 3fie s PHE 195 Cb -0.17 -1.84 0.12 0.00 -0.34 0.00 0.00 43.02 40.80 3fie s PHE 195 CO 0.13 -0.60 0.18 0.45 -1.46 0.00 0.00 175.22 173.93 3fie s SER 196 N 0.85 4.06 0.00 6.13 0.15 -1.26 -3.88 113.70 119.75 3fie s SER 196 Ca -0.06 -2.44 0.24 0.00 0.70 0.00 0.00 55.95 54.39 3fie s SER 196 Cb -0.15 -1.24 1.34 0.00 -1.71 0.00 0.00 66.02 64.26 3fie s SER 196 CO -0.02 -0.31 1.87 -0.81 1.20 0.00 0.00 173.24 175.17 3fie n PRO 197 N 3.82 1.10 -0.05 5.44 -0.04 -1.26 -4.20 135.00 139.80 3fie n PRO 197 Ca 0.05 -0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 3fie n PRO 197 Cb 0.37 -1.38 0.31 0.00 -0.04 0.00 0.00 33.50 32.75 3fie n PRO 197 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3fie h GLU 198 N 0.33 0.64 -5.61 0.54 4.39 -1.94 -3.44 114.58 109.49 3fie h GLU 198 Ca 0.00 -0.09 -0.47 0.00 0.34 0.00 0.00 59.36 59.14 3fie h GLU 198 Cb 0.07 -0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 28.46 3fie h GLU 198 CO 0.00 0.55 -0.73 0.71 -1.16 0.00 0.00 179.01 178.38 3fie s TYR 199 N -5.27 1.79 0.03 4.33 2.02 -1.26 -1.33 117.35 117.66 3fie s TYR 199 Ca -0.09 -0.57 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 3fie s TYR 199 Cb 0.16 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 3fie s TYR 199 CO 0.76 0.38 0.09 -2.00 -1.57 0.00 0.00 175.55 173.21 3fie s GLU 200 N -3.65 0.54 0.48 -0.62 2.56 -0.80 -4.84 118.70 112.37 3fie s GLU 200 Ca 0.24 -0.68 -0.19 0.00 0.00 0.00 0.00 54.97 54.34 3fie s GLU 200 Cb -0.00 0.21 -0.09 0.00 2.00 0.00 0.00 34.13 36.25 3fie s GLU 200 CO 0.08 -0.13 0.99 1.52 -0.56 0.00 0.00 175.26 177.16 3fie s TYR 201 N -2.28 3.27 0.15 5.30 -0.85 -1.26 -1.84 117.35 119.84 3fie s TYR 201 Ca -0.08 1.55 0.08 0.00 -0.52 0.00 0.00 57.07 58.10 3fie s TYR 201 Cb -0.03 -2.89 -0.04 0.00 0.38 0.00 0.00 41.96 39.38 3fie s TYR 201 CO -0.03 -0.41 -0.07 0.95 -1.52 0.00 0.00 175.55 174.47 3fie s THR 202 N -2.31 3.41 0.03 -3.49 -4.23 0.18 -1.03 115.64 108.20 3fie s THR 202 Ca 0.62 -1.46 -0.16 0.00 -1.18 0.00 0.00 61.69 59.51 3fie s THR 202 Cb -0.11 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.09 3fie s THR 202 CO 0.22 -0.04 0.36 0.72 -0.54 0.00 0.00 174.62 175.35 3fie s PHE 203 N -1.55 -0.20 0.11 3.99 -0.12 -0.16 -3.60 117.98 116.45 3fie s PHE 203 Ca 0.25 0.15 0.02 0.00 -0.05 0.00 0.00 56.93 57.29 3fie s PHE 203 Cb -0.10 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 3fie s PHE 203 CO 0.16 -0.52 0.22 -0.80 -0.05 0.00 0.00 175.22 174.22 3fie s ASN 204 N -1.93 6.16 -0.06 1.98 0.01 -1.26 -0.59 114.94 119.25 3fie s ASN 204 Ca -0.06 0.15 -0.05 0.00 -0.71 0.00 0.00 52.86 52.18 3fie s ASN 204 Cb -0.01 -1.83 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 3fie s ASN 204 CO -0.02 0.11 -0.10 -0.67 -1.51 0.00 0.00 177.10 174.91 3fie n ASP 205 N -0.14 0.72 -0.08 -1.22 4.64 -1.26 -4.94 116.55 114.28 3fie n ASP 205 Ca -0.07 0.27 -0.12 0.00 -1.38 0.00 0.00 54.79 53.49 3fie n ASP 205 Cb 0.53 -0.62 -0.07 0.00 -1.04 0.00 0.00 41.12 39.91 3fie n ASP 205 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 3fie h GLU 215 N -0.39 0.00 -5.74 -0.67 4.11 -1.96 -3.53 114.58 106.40 3fie h GLU 215 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 3fie h GLU 215 Cb 0.29 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.26 3fie h GLU 215 CO 0.00 0.57 -0.81 0.45 0.07 0.00 0.00 179.01 179.29 3fie s SER 216 N -6.22 3.64 0.06 3.06 0.15 -1.26 -4.98 113.70 108.15 3fie s SER 216 Ca -0.18 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.13 3fie s SER 216 Cb 0.02 -1.20 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 3fie s SER 216 CO 0.42 0.23 -0.12 -0.36 1.20 0.00 0.00 173.24 174.60 3fie s PHE 217 N -0.04 1.06 0.08 3.44 0.08 0.24 -1.80 117.98 121.05 3fie s PHE 217 Ca -0.05 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.52 3fie s PHE 217 Cb -0.14 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 3fie s PHE 217 CO 0.04 0.02 0.30 -1.50 -0.10 0.00 0.00 175.22 173.98 3fie s ILE 218 N -1.20 5.27 0.72 0.64 2.07 -0.49 -0.98 121.20 127.23 3fie s ILE 218 Ca -0.03 -0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.04 3fie s ILE 218 Cb -0.09 -3.61 0.02 0.00 0.13 0.00 0.00 42.46 38.91 3fie s ILE 218 CO 0.02 0.16 1.09 0.00 -1.91 0.00 0.00 174.94 174.29 3fie s ALA 219 N -1.52 2.77 -0.34 1.50 0.00 -0.20 -4.85 121.76 119.12 3fie s ALA 219 Ca 0.36 -0.28 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 3fie s ALA 219 Cb -0.13 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 3fie s ALA 219 CO 0.23 -1.23 0.56 0.34 0.00 0.00 0.00 175.76 175.66 3fie s ASP 220 N -4.23 6.37 0.61 0.00 -1.08 -1.26 -4.86 116.67 112.22 3fie s ASP 220 Ca 0.58 0.10 0.29 0.00 -0.52 0.00 0.00 52.55 53.01 3fie s ASP 220 Cb -0.12 -2.29 1.58 0.00 -1.46 0.00 0.00 42.92 40.63 3fie s ASP 220 CO 0.53 -0.50 1.97 -0.65 0.52 0.00 0.00 175.17 177.03 3fie h PRO 221 N 8.41 0.00 -0.12 4.34 0.11 -1.96 -0.80 132.00 141.98 3fie h PRO 221 Ca -0.27 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 3fie h PRO 221 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fie h PRO 221 CO 0.79 0.00 -0.59 0.00 -0.21 0.00 0.00 178.00 177.99 3fie h ALA 222 N 1.52 0.78 -0.14 -0.75 0.00 -1.92 -1.09 119.26 117.65 3fie h ALA 222 Ca 0.12 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 3fie h ALA 222 Cb 0.84 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3fie h ALA 222 CO -0.00 0.71 -0.69 0.82 0.00 0.00 0.00 179.25 180.09 3fie h ILE 223 N 0.28 1.33 -0.69 0.00 1.08 -1.56 -0.24 117.51 117.71 3fie h ILE 223 Ca -0.00 -1.98 -0.03 0.00 -0.39 0.00 0.00 64.86 62.46 3fie h ILE 223 Cb 1.11 1.95 -0.03 0.00 -3.07 0.00 0.00 36.82 36.78 3fie h ILE 223 CO 0.10 0.61 0.30 0.28 -0.69 0.00 0.00 178.15 178.75 3fie h SER 224 N 0.42 0.92 -0.53 1.72 0.02 -1.27 -1.05 113.55 113.79 3fie h SER 224 Ca -0.02 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 3fie h SER 224 Cb 1.28 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3fie h SER 224 CO 0.13 0.81 0.07 0.25 -1.14 0.00 0.00 176.83 176.95 3fie h LEU 225 N 1.00 0.85 -0.94 5.07 5.85 -0.80 -2.74 115.31 123.59 3fie h LEU 225 Ca 0.24 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3fie h LEU 225 Cb 0.16 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3fie h LEU 225 CO -0.02 0.91 0.19 0.00 -0.34 0.00 0.00 178.44 179.17 3fie h ALA 226 N 0.98 1.15 -0.79 1.25 0.00 -0.63 -1.92 119.26 119.30 3fie h ALA 226 Ca 0.16 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3fie h ALA 226 Cb 0.43 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3fie h ALA 226 CO 0.01 0.59 0.50 1.25 0.00 0.00 0.00 179.25 181.60 3fie h HIS 227 N 0.92 0.93 -0.33 0.00 -0.00 -0.93 0.14 115.15 115.88 3fie h HIS 227 Ca 0.20 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.45 3fie h HIS 227 Cb 0.28 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 3fie h HIS 227 CO 0.02 0.52 -0.40 0.93 -0.00 0.00 0.00 177.93 178.99 3fie h GLU 228 N 0.95 0.81 -0.33 5.26 4.39 -1.19 -2.98 114.58 121.49 3fie h GLU 228 Ca 0.32 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3fie h GLU 228 Cb 0.05 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3fie h GLU 228 CO -0.13 1.06 0.01 -0.07 -1.16 0.00 0.00 179.01 178.73 3fie h LEU 229 N 0.66 0.47 -0.41 1.33 3.38 -0.51 -0.82 115.31 119.40 3fie h LEU 229 Ca 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fie h LEU 229 Cb 0.97 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3fie h LEU 229 CO 0.09 0.53 0.16 0.40 0.09 0.00 0.00 178.44 179.71 3fie h ILE 230 N 0.49 1.20 -0.51 1.22 2.04 -0.62 0.68 117.51 122.01 3fie h ILE 230 Ca 0.11 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.36 3fie h ILE 230 Cb 0.30 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3fie h ILE 230 CO 0.01 0.23 0.32 0.45 0.00 0.00 0.00 178.15 179.16 3fie h HIS 231 N 0.52 0.60 -0.78 1.37 3.86 -1.27 -1.76 115.15 117.70 3fie h HIS 231 Ca 0.14 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 3fie h HIS 231 Cb 0.20 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 3fie h HIS 231 CO 0.00 0.36 0.50 0.00 0.86 0.00 0.00 177.93 179.65 3fie h ALA 232 N 1.21 1.02 -0.70 2.45 0.00 -0.68 -0.84 119.26 121.71 3fie h ALA 232 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fie h ALA 232 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3fie h ALA 232 CO -0.07 0.31 0.27 1.25 0.00 0.00 0.00 179.25 181.01 3fie h LEU 233 N 0.97 0.95 -0.63 0.00 5.85 -0.35 0.17 115.31 122.28 3fie h LEU 233 Ca 0.31 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3fie h LEU 233 Cb -0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3fie h LEU 233 CO -0.11 0.86 0.23 0.45 -0.34 0.00 0.00 178.44 179.53 3fie h HIS 234 N 1.01 0.98 -0.32 1.25 3.86 -0.75 -2.56 115.15 118.63 3fie h HIS 234 Ca 0.23 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3fie h HIS 234 Cb 0.21 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3fie h HIS 234 CO 0.02 0.79 0.10 0.78 0.86 0.00 0.00 177.93 180.48 3fie h GLY 235 N 0.89 0.53 1.59 2.45 0.00 -0.42 -1.09 103.07 107.02 3fie h GLY 235 Ca 0.21 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.28 3fie h GLY 235 CO -0.01 0.29 0.16 1.41 0.00 0.00 0.00 176.54 178.39 3fie h LEU 236 N 0.36 0.08 -2.25 3.11 3.38 -0.50 0.33 115.31 119.82 3fie h LEU 236 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fie h LEU 236 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fie h LEU 236 CO -0.00 0.05 0.00 -1.22 0.09 0.00 0.00 178.44 177.36 3fie n TYR 237 N -4.48 0.94 -3.78 1.13 4.02 -0.98 -4.19 117.16 109.81 3fie n TYR 237 Ca 0.02 -0.41 -0.29 0.00 -0.01 0.00 0.00 57.90 57.21 3fie n TYR 237 Cb 0.25 -0.10 0.02 0.00 -0.02 0.00 0.00 39.34 39.49 3fie n TYR 237 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fie n GLY 238 N 1.17 -0.50 1.67 2.72 0.00 0.12 -4.28 105.19 106.09 3fie n GLY 238 Ca 0.19 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 3fie n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fie n ALA 239 N -4.43 4.96 0.66 4.61 0.00 -0.44 0.53 120.51 126.39 3fie n ALA 239 Ca 0.03 -3.07 0.12 0.00 0.00 0.00 0.00 53.44 50.52 3fie n ALA 239 Cb 0.53 -1.07 0.15 0.00 0.00 0.00 0.00 19.45 19.06 3fie n ALA 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fie n ARG 240 N -1.13 2.34 0.07 0.00 1.74 -0.28 -4.55 116.66 114.85 3fie n ARG 240 Ca 0.46 -2.06 0.04 0.00 -0.77 0.00 0.00 57.85 55.52 3fie n ARG 240 Cb 1.31 -1.47 0.43 0.00 -1.02 0.00 0.00 32.46 31.71 3fie n ARG 240 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3fie h GLY 241 N 4.47 0.42 0.00 -0.13 0.00 -1.66 -2.88 103.07 103.29 3fie h GLY 241 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 47.33 46.85 3fie h GLY 241 CO 0.00 0.18 -2.00 -0.62 0.00 0.00 0.00 176.54 174.10 3fie n VAL 242 N -4.42 0.98 -0.12 4.60 0.31 -1.26 -4.42 118.33 114.00 3fie n VAL 242 Ca 0.01 -0.28 0.13 0.00 -0.01 0.00 0.00 64.34 64.19 3fie n VAL 242 Cb 0.13 -1.59 0.49 0.00 -0.91 0.00 0.00 33.84 31.96 3fie n VAL 242 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3fie h THR 243 N -0.49 0.87 0.14 2.52 1.35 -1.80 -1.50 112.91 113.99 3fie h THR 243 Ca -0.44 -0.15 -0.27 0.00 -0.55 0.00 0.00 66.41 65.00 3fie h THR 243 Cb 1.44 0.39 0.03 0.00 -1.73 0.00 0.00 68.15 68.28 3fie h THR 243 CO -0.22 0.08 -1.14 0.22 -0.25 0.00 0.00 175.52 174.21 3fie h TYR 244 N 0.44 0.88 -0.40 4.73 3.20 -1.77 0.13 116.97 124.18 3fie h TYR 244 Ca 0.32 -0.58 -0.12 0.00 3.14 0.00 0.00 58.73 61.48 3fie h TYR 244 Cb 0.64 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3fie h TYR 244 CO -0.00 1.43 -0.24 0.87 -1.64 0.00 0.00 178.16 178.58 3fie h LYS 245 N 0.09 0.82 -6.74 1.82 1.57 -1.66 -3.44 116.57 109.02 3fie h LYS 245 Ca -0.18 -0.35 -0.49 0.00 -1.87 0.00 0.00 60.65 57.76 3fie h LYS 245 Cb 1.85 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.12 3fie h LYS 245 CO 0.22 0.98 0.37 -1.21 -0.57 0.00 0.00 179.45 179.23 3fie s GLU 246 N -4.59 4.81 0.10 3.15 0.41 -0.60 -5.00 118.70 116.99 3fie s GLU 246 Ca -0.10 1.54 0.03 0.00 -0.41 0.00 0.00 54.97 56.03 3fie s GLU 246 Cb 0.13 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.16 3fie s GLU 246 CO 0.85 0.45 -0.08 0.95 -0.49 0.00 0.00 175.26 176.93 3fie s THR 247 N -1.09 0.82 -0.05 3.63 -4.23 -1.26 -1.27 115.64 112.20 3fie s THR 247 Ca 0.42 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3fie s THR 247 Cb -0.27 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.03 3fie s THR 247 CO 0.33 -0.75 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.02 3fie s ILE 248 N -3.16 0.37 -0.02 2.99 -1.09 -0.37 -4.89 121.20 115.04 3fie s ILE 248 Ca 0.10 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.25 3fie s ILE 248 Cb 0.02 -0.47 -0.05 0.00 -1.58 0.00 0.00 42.46 40.38 3fie s ILE 248 CO -0.02 0.22 1.35 -0.54 -1.23 0.00 0.00 174.94 174.71 3fie s LYS 249 N 1.38 4.30 0.04 2.79 1.02 -1.26 -1.40 119.74 126.60 3fie s LYS 249 Ca -0.04 1.88 0.01 0.00 0.02 0.00 0.00 55.97 57.83 3fie s LYS 249 Cb -0.13 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 3fie s LYS 249 CO -0.02 -0.55 -0.05 0.14 -0.92 0.00 0.00 175.35 173.94 3fie s VAL 250 N 2.42 0.34 0.34 3.17 -7.23 -0.75 -4.95 120.40 113.73 3fie s VAL 250 Ca 0.61 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.43 3fie s VAL 250 Cb -0.29 -0.68 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 3fie s VAL 250 CO 0.25 -0.56 0.78 -0.54 -0.31 0.00 0.00 175.10 174.73 3fie s LYS 251 N -2.04 4.08 -0.16 4.82 1.02 -1.26 -1.89 119.74 124.30 3fie s LYS 251 Ca -0.08 0.79 -0.29 0.00 0.02 0.00 0.00 55.97 56.40 3fie s LYS 251 Cb -0.06 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3fie s LYS 251 CO -0.02 0.13 1.62 -1.14 -0.92 0.00 0.00 175.35 175.03 3fie s GLN 252 N -2.95 3.93 0.01 1.68 0.74 0.79 -4.87 119.66 119.00 3fie s GLN 252 Ca 0.55 1.85 -0.02 0.00 0.05 0.00 0.00 55.36 57.79 3fie s GLN 252 Cb -0.10 -4.01 -0.00 0.00 1.10 0.00 0.00 33.01 29.99 3fie s GLN 252 CO 0.17 -1.13 0.10 0.00 -0.55 0.00 0.00 175.29 173.88 3fie n ALA 253 N 7.99 -0.04 -1.00 1.58 0.00 0.23 -0.85 120.51 128.42 3fie n ALA 253 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3fie n ALA 253 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3fie n ALA 253 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fie n PRO 254 N -3.84 0.00 -0.01 0.00 -0.02 -1.26 -4.29 135.00 125.58 3fie n PRO 254 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 3fie n PRO 254 Cb 0.02 -0.66 0.43 0.00 -0.02 0.00 0.00 33.50 33.27 3fie n PRO 254 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fie h LEU 255 N 0.00 0.46 2.01 2.45 -0.00 -1.99 -3.47 115.31 114.77 3fie h LEU 255 Ca 0.00 -0.01 -0.31 0.00 -0.00 0.00 0.00 57.88 57.56 3fie h LEU 255 Cb 0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.52 3fie h LEU 255 CO 0.00 0.33 -0.38 0.23 -0.00 0.00 0.00 178.44 178.62 3fie n MET 256 N -4.48 -1.20 -0.03 1.13 2.81 -0.03 -4.88 117.12 110.44 3fie n MET 256 Ca 0.04 0.77 0.01 0.00 -1.81 0.00 0.00 57.70 56.70 3fie n MET 256 Cb 0.08 -5.10 -0.09 0.00 -0.71 0.00 0.00 33.22 27.41 3fie n MET 256 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3fie n ILE 257 N -3.85 0.36 -3.59 2.02 -5.35 -1.26 -4.81 119.36 102.89 3fie n ILE 257 Ca -0.18 -0.36 -0.34 0.00 -0.27 0.00 0.00 62.75 61.60 3fie n ILE 257 Cb 0.62 -0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.25 3fie n ILE 257 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fie s ALA 258 N -2.55 3.73 0.11 -1.28 0.00 -1.26 -4.97 121.76 115.54 3fie s ALA 258 Ca -0.05 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3fie s ALA 258 Cb 0.05 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3fie s ALA 258 CO 0.47 0.59 -0.09 -2.00 0.00 0.00 0.00 175.76 174.73 3fie s GLU 259 N -2.18 0.90 -0.23 0.00 2.12 -1.26 -0.15 118.70 117.90 3fie s GLU 259 Ca 0.36 -1.29 -0.27 0.00 0.36 0.00 0.00 54.97 54.14 3fie s GLU 259 Cb -0.13 -0.45 0.11 0.00 0.26 0.00 0.00 34.13 33.91 3fie s GLU 259 CO 0.20 0.05 0.92 0.21 -0.54 0.00 0.00 175.26 176.09 3fie s LYS 260 N -3.36 0.66 -0.09 4.30 2.20 -0.79 -4.96 119.74 117.69 3fie s LYS 260 Ca 0.10 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 55.98 3fie s LYS 260 Cb 0.01 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 3fie s LYS 260 CO -0.01 -0.12 1.05 -1.25 -0.36 0.00 0.00 175.35 174.66 3fie s PRO 261 N -0.14 4.41 -0.15 4.03 0.04 -1.26 -1.82 135.00 140.12 3fie s PRO 261 Ca -0.00 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 3fie s PRO 261 Cb -0.04 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 3fie s PRO 261 CO -0.01 -0.33 -0.05 0.42 0.04 0.00 0.00 177.00 177.06 3fie s ILE 262 N 1.99 3.75 0.47 0.56 -1.09 -0.49 -4.84 121.20 121.55 3fie s ILE 262 Ca 0.50 -0.41 -0.23 0.00 -2.23 0.00 0.00 60.65 58.28 3fie s ILE 262 Cb -0.20 -2.63 -0.07 0.00 -1.58 0.00 0.00 42.46 37.98 3fie s ILE 262 CO 0.19 0.51 1.21 -0.13 -1.23 0.00 0.00 174.94 175.49 3fie s ARG 263 N 0.28 3.67 0.38 2.79 0.52 -1.26 -1.24 118.95 124.10 3fie s ARG 263 Ca -0.04 1.90 0.10 0.00 -0.52 0.00 0.00 55.73 57.16 3fie s ARG 263 Cb -0.14 -2.42 0.87 0.00 0.52 0.00 0.00 34.95 33.78 3fie s ARG 263 CO 0.03 -0.66 1.93 -0.07 0.02 0.00 0.00 175.30 176.55 3fie h LEU 264 N 2.01 0.56 -0.87 2.53 -0.00 -0.74 -0.80 115.31 118.00 3fie h LEU 264 Ca -0.50 0.02 0.12 0.00 -0.00 0.00 0.00 57.88 57.53 3fie h LEU 264 Cb 1.26 -0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 41.73 3fie h LEU 264 CO 0.60 0.32 0.49 -0.08 -0.00 0.00 0.00 178.44 179.77 3fie h GLU 265 N 0.61 0.73 -0.38 1.13 4.57 -1.02 0.36 114.58 120.58 3fie h GLU 265 Ca 0.35 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.38 3fie h GLU 265 Cb 0.54 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3fie h GLU 265 CO -0.13 0.48 -0.17 0.93 -1.18 0.00 0.00 179.01 178.95 3fie h GLU 266 N 0.75 0.79 -0.51 1.92 4.39 -1.43 -1.93 114.58 118.56 3fie h GLU 266 Ca 0.45 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3fie h GLU 266 Cb 0.53 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3fie h GLU 266 CO -0.30 0.96 0.22 0.74 -1.16 0.00 0.00 179.01 179.47 3fie h PHE 267 N 0.59 0.75 0.00 4.33 0.04 -1.17 0.56 116.94 122.05 3fie h PHE 267 Ca 0.09 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 3fie h PHE 267 Cb 0.72 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3fie h PHE 267 CO 0.06 0.61 -0.32 -0.07 -0.60 0.00 0.00 178.31 177.99 3fie h LEU 268 N 0.68 0.00 0.11 1.54 3.38 -0.94 -0.47 115.31 119.60 3fie h LEU 268 Ca 0.17 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.84 3fie h LEU 268 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fie h LEU 268 CO -0.02 0.32 -1.55 0.74 0.09 0.00 0.00 178.44 178.02 3fie h THR 269 N 0.00 1.12 0.10 0.22 2.02 -1.05 -3.36 112.91 111.96 3fie h THR 269 Ca -0.00 -2.78 -0.27 0.00 0.77 0.00 0.00 66.41 64.12 3fie h THR 269 Cb 0.70 2.72 0.01 0.00 -1.74 0.00 0.00 68.15 69.85 3fie h THR 269 CO 0.04 0.80 -1.17 0.15 0.37 0.00 0.00 175.52 175.71 3fie h PHE 270 N 0.06 0.72 -0.20 3.16 3.57 -0.82 -0.71 116.94 122.72 3fie h PHE 270 Ca -0.25 -0.46 0.00 0.00 3.53 0.00 0.00 57.97 60.79 3fie h PHE 270 Cb 2.01 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.69 3fie h PHE 270 CO 0.06 1.32 0.00 0.41 -2.23 0.00 0.00 178.31 177.87 3fie n GLY 271 N 1.33 0.07 6.90 2.40 0.00 -0.19 -1.47 105.19 114.23 3fie n GLY 271 Ca -0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3fie n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fie n GLY 272 N 0.00 -0.33 0.09 -0.02 0.00 -1.26 -3.87 105.19 99.79 3fie n GLY 272 Ca 0.00 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.04 3fie n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fie n GLN 273 N 1.25 0.22 0.00 1.61 10.64 -1.26 -2.77 117.38 127.07 3fie n GLN 273 Ca 0.00 0.20 0.08 0.00 -1.83 0.00 0.00 57.00 55.45 3fie n GLN 273 Cb 0.00 -1.77 0.36 0.00 -0.86 0.00 0.00 30.24 27.97 3fie n GLN 273 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3fie n ASP 274 N -2.15 0.00 0.28 2.61 8.00 -1.25 -1.74 116.55 122.30 3fie n ASP 274 Ca 0.05 0.39 0.16 0.00 0.71 0.00 0.00 54.79 56.10 3fie n ASP 274 Cb 0.40 -0.45 0.78 0.00 -0.02 0.00 0.00 41.12 41.83 3fie n ASP 274 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fie h LEU 275 N 0.00 0.00 0.00 0.64 3.38 -1.71 -1.92 115.31 115.70 3fie h LEU 275 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fie h LEU 275 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fie h LEU 275 CO 0.00 0.06 0.00 -0.46 0.09 0.00 0.00 178.44 178.13 3fie n ASN 276 N -3.26 0.00 -0.26 -0.43 0.23 -0.71 -1.69 115.26 109.14 3fie n ASN 276 Ca -0.01 0.15 0.13 0.00 -0.53 0.00 0.00 54.58 54.32 3fie n ASN 276 Cb 0.26 -0.31 0.30 0.00 -2.08 0.00 0.00 39.78 37.94 3fie n ASN 276 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 3fie n ILE 277 N -1.31 0.00 -2.83 1.53 -5.35 -0.72 -4.74 119.36 105.93 3fie n ILE 277 Ca 0.06 -0.14 -0.43 0.00 -0.27 0.00 0.00 62.75 61.97 3fie n ILE 277 Cb 0.11 0.53 -0.04 0.00 -1.74 0.00 0.00 39.64 38.50 3fie n ILE 277 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3fie s ILE 278 N -2.54 4.35 0.96 7.28 -1.09 -0.68 -5.03 121.20 124.45 3fie s ILE 278 Ca 0.22 0.15 -0.12 0.00 -2.23 0.00 0.00 60.65 58.67 3fie s ILE 278 Cb 0.19 -4.58 0.17 0.00 -1.58 0.00 0.00 42.46 36.66 3fie s ILE 278 CO 0.55 -1.21 1.09 0.42 -1.23 0.00 0.00 174.94 174.56 3fie s THR 279 N 4.03 2.31 0.20 2.92 -4.23 -1.26 -4.83 115.64 114.78 3fie s THR 279 Ca 0.29 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 3fie s THR 279 Cb -0.13 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.21 3fie s THR 279 CO 0.17 -0.13 1.65 0.28 -0.54 0.00 0.00 174.62 176.06 3fie h SER 280 N -1.79 0.92 -0.40 3.99 0.02 -1.98 -1.21 113.55 113.09 3fie h SER 280 Ca -0.53 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.07 3fie h SER 280 Cb 1.31 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3fie h SER 280 CO 0.56 1.03 -0.00 0.00 -1.14 0.00 0.00 176.83 177.27 3fie h ALA 281 N 1.06 1.09 -0.39 3.77 0.00 -1.98 0.33 119.26 123.14 3fie h ALA 281 Ca 0.14 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3fie h ALA 281 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fie h ALA 281 CO 0.04 0.57 -0.18 1.98 0.00 0.00 0.00 179.25 181.67 3fie h MET 282 N 0.74 0.81 -0.37 0.00 -1.53 -1.85 -0.39 114.93 112.34 3fie h MET 282 Ca 0.14 -0.35 -0.11 0.00 -3.44 0.00 0.00 59.70 55.94 3fie h MET 282 Cb 0.46 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.47 3fie h MET 282 CO 0.02 0.98 -0.23 0.87 0.14 0.00 0.00 176.91 178.68 3fie h LYS 283 N 0.62 0.74 -0.49 0.39 1.57 -0.91 -1.79 116.57 116.69 3fie h LYS 283 Ca 0.09 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3fie h LYS 283 Cb 0.73 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 3fie h LYS 283 CO 0.05 0.91 0.27 0.93 -0.57 0.00 0.00 179.45 181.04 3fie h GLU 284 N 0.65 0.53 -0.42 3.15 5.08 -0.03 -1.50 114.58 122.02 3fie h GLU 284 Ca 0.09 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3fie h GLU 284 Cb 0.74 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3fie h GLU 284 CO 0.06 0.35 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.18 3fie h LYS 285 N 0.54 0.75 0.12 2.33 3.64 -0.77 -1.61 116.57 121.57 3fie h LYS 285 Ca 0.21 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3fie h LYS 285 Cb 0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3fie h LYS 285 CO -0.12 0.84 -0.06 0.82 -2.27 0.00 0.00 179.45 178.66 3fie h ILE 286 N 0.59 0.94 0.48 2.00 2.04 -1.12 -2.11 117.51 120.32 3fie h ILE 286 Ca 0.12 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3fie h ILE 286 Cb 0.51 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3fie h ILE 286 CO 0.02 0.05 -0.42 0.22 0.00 0.00 0.00 178.15 178.02 3fie h TYR 287 N -0.26 -1.17 -0.89 1.37 3.20 -1.27 -1.58 116.97 116.38 3fie h TYR 287 Ca -0.02 0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.99 3fie h TYR 287 Cb 0.21 0.45 -0.09 0.00 1.54 0.00 0.00 36.73 38.84 3fie h TYR 287 CO -0.04 -0.58 0.50 -0.91 -1.64 0.00 0.00 178.16 175.50 3fie h ASN 288 N -0.89 0.68 -0.45 -2.11 2.35 -1.34 0.25 115.58 114.07 3fie h ASN 288 Ca -0.06 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3fie h ASN 288 Cb 0.75 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 3fie h ASN 288 CO -0.02 0.33 0.01 0.78 -1.65 0.00 0.00 177.43 176.88 3fie h ASN 289 N 0.76 0.78 -0.14 5.81 2.35 -1.30 0.22 115.58 124.07 3fie h ASN 289 Ca 0.46 -0.30 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 3fie h ASN 289 Cb 0.55 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3fie h ASN 289 CO -0.31 0.89 -0.54 0.25 -1.65 0.00 0.00 177.43 176.07 3fie h LEU 290 N 0.65 0.81 -0.81 1.61 5.85 -0.61 -1.53 115.31 121.27 3fie h LEU 290 Ca 0.13 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 3fie h LEU 290 Cb 0.49 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3fie h LEU 290 CO 0.02 1.19 0.33 0.25 -0.34 0.00 0.00 178.44 179.90 3fie h LEU 291 N 0.56 1.10 -0.58 2.25 5.85 -0.32 -0.77 115.31 123.39 3fie h LEU 291 Ca 0.01 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3fie h LEU 291 Cb 1.12 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3fie h LEU 291 CO 0.11 0.97 0.20 0.00 -0.34 0.00 0.00 178.44 179.39 3fie h ALA 292 N 1.18 0.76 -0.72 1.25 0.00 -0.39 -0.83 119.26 120.51 3fie h ALA 292 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fie h ALA 292 Cb 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3fie h ALA 292 CO -0.02 0.41 0.46 -0.91 0.00 0.00 0.00 179.25 179.19 3fie h ASN 293 N 0.82 0.78 0.64 0.00 -0.26 -0.73 -1.09 115.58 115.74 3fie h ASN 293 Ca 0.19 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.81 3fie h ASN 293 Cb 0.25 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 3fie h ASN 293 CO -0.01 0.55 -0.55 1.88 -1.06 0.00 0.00 177.43 178.25 3fie h TYR 294 N 0.93 0.00 -0.40 1.19 -1.99 -0.83 -1.41 116.97 114.45 3fie h TYR 294 Ca 0.28 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.85 3fie h TYR 294 Cb -0.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 3fie h TYR 294 CO -0.03 0.55 -0.36 0.93 -0.00 0.00 0.00 178.16 179.25 3fie h GLU 295 N 0.00 0.95 -0.62 4.88 5.08 -0.70 0.01 114.58 124.18 3fie h GLU 295 Ca -0.01 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3fie h GLU 295 Cb 1.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3fie h GLU 295 CO 0.07 1.15 0.40 -0.22 -1.00 0.00 0.00 179.01 179.41 3fie h LYS 296 N 0.78 0.79 -0.21 2.33 1.63 -0.93 -1.90 116.57 119.06 3fie h LYS 296 Ca 0.07 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 3fie h LYS 296 Cb 0.96 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3fie h LYS 296 CO 0.09 0.52 -0.24 0.82 -3.45 0.00 0.00 179.45 177.20 3fie h ILE 297 N 0.81 1.25 -0.87 2.00 2.04 -0.93 -1.78 117.51 120.03 3fie h ILE 297 Ca 0.24 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3fie h ILE 297 Cb -0.06 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3fie h ILE 297 CO -0.07 0.37 0.45 0.00 0.00 0.00 0.00 178.15 178.90 3fie h ALA 298 N 1.41 1.12 -0.35 1.87 0.00 -0.31 0.28 119.26 123.29 3fie h ALA 298 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3fie h ALA 298 Cb 0.61 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fie h ALA 298 CO 0.04 0.66 0.06 1.15 0.00 0.00 0.00 179.25 181.16 3fie h THR 299 N 1.24 1.24 -0.33 0.00 2.02 -0.92 -2.78 112.91 113.38 3fie h THR 299 Ca 0.30 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 3fie h THR 299 Cb 0.08 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3fie h THR 299 CO -0.04 0.28 0.02 -0.09 0.37 0.00 0.00 175.52 176.05 3fie h ARG 300 N 0.41 0.57 -0.28 6.66 2.43 -0.97 -2.99 114.38 120.20 3fie h ARG 300 Ca 0.11 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3fie h ARG 300 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3fie h ARG 300 CO 0.01 0.68 0.19 1.25 -1.51 0.00 0.00 179.97 180.59 3fie h LEU 301 N 0.38 0.18 -1.63 3.80 5.85 -0.39 -0.84 115.31 122.64 3fie h LEU 301 Ca 0.09 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3fie h LEU 301 Cb 0.41 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3fie h LEU 301 CO 0.01 0.12 -0.07 0.28 -0.34 0.00 0.00 178.44 178.45 3fie h SER 302 N 0.21 0.14 1.15 1.25 0.02 -1.33 -2.93 113.55 112.05 3fie h SER 302 Ca 0.12 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3fie h SER 302 Cb 0.23 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3fie h SER 302 CO -0.02 0.23 -0.21 0.54 -1.14 0.00 0.00 176.83 176.22 3fie n ARG 303 N -4.38 0.21 -1.79 3.45 5.12 -0.33 -4.88 116.66 114.06 3fie n ARG 303 Ca -0.01 0.13 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 3fie n ARG 303 Cb 0.19 -1.70 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 3fie n ARG 303 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3fie s VAL 304 N -3.09 3.09 0.00 1.55 1.01 -1.11 -4.32 120.40 117.52 3fie s VAL 304 Ca 0.10 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3fie s VAL 304 Cb 0.14 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3fie s VAL 304 CO 0.63 -0.02 0.53 -0.46 0.00 0.00 0.00 175.10 175.79 3fie n ASN 305 N 6.90 0.00 -3.71 3.32 0.23 -0.11 -4.96 115.26 116.94 3fie n ASN 305 Ca 0.18 -1.25 -0.14 0.00 -0.53 0.00 0.00 54.58 52.84 3fie n ASN 305 Cb 0.41 -0.05 -0.09 0.00 -2.08 0.00 0.00 39.78 37.97 3fie n ASN 305 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3fie s SER 306 N -0.25 -0.48 0.17 0.53 0.15 -1.02 -5.04 113.70 107.76 3fie s SER 306 Ca 0.00 0.88 -0.24 0.00 0.70 0.00 0.00 55.95 57.29 3fie s SER 306 Cb 0.00 0.90 0.06 0.00 -1.71 0.00 0.00 66.02 65.27 3fie s SER 306 CO 0.00 -0.21 0.85 0.00 1.20 0.00 0.00 173.24 175.08 3fie s ALA 307 N 0.06 -1.54 0.62 5.45 0.00 -1.26 -1.42 121.76 123.68 3fie s ALA 307 Ca -0.02 0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.90 3fie s ALA 307 Cb -0.03 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3fie s ALA 307 CO 0.01 -0.98 1.10 -2.30 0.00 0.00 0.00 175.76 173.60 3fie n PRO 308 N -0.43 0.99 -0.34 0.00 -0.02 -1.26 -4.84 135.00 129.10 3fie n PRO 308 Ca -0.07 0.39 0.27 0.00 -2.02 0.00 0.00 63.50 62.07 3fie n PRO 308 Cb 0.61 -2.32 0.58 0.00 -0.02 0.00 0.00 33.50 32.34 3fie n PRO 308 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3fie h PRO 309 N 0.50 0.26 0.00 0.52 0.13 -2.01 0.93 132.00 132.34 3fie h PRO 309 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3fie h PRO 309 Cb 1.35 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3fie h PRO 309 CO 0.52 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 3fie n GLU 310 N -4.54 0.81 -4.28 0.86 4.71 -1.26 -4.80 120.64 112.14 3fie n GLU 310 Ca 0.27 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 57.08 3fie n GLU 310 Cb 1.02 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 29.84 3fie n GLU 310 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3fie s TYR 311 N -2.01 3.10 -0.53 -0.32 2.02 0.32 -5.06 117.35 114.88 3fie s TYR 311 Ca 0.39 -0.15 -0.22 0.00 -0.37 0.00 0.00 57.07 56.71 3fie s TYR 311 Cb 0.18 -1.98 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3fie s TYR 311 CO 0.31 0.05 0.83 0.34 -1.57 0.00 0.00 175.55 175.51 3fie s ASP 312 N 0.29 6.31 0.13 2.29 -1.08 -1.26 -4.84 116.67 118.50 3fie s ASP 312 Ca -0.01 -0.50 -0.19 0.00 -0.52 0.00 0.00 52.55 51.32 3fie s ASP 312 Cb -0.13 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 3fie s ASP 312 CO 0.02 -1.09 1.72 0.40 0.52 0.00 0.00 175.17 176.74 3fie h ILE 313 N 5.97 0.87 -0.89 4.11 2.04 -1.97 -2.34 117.51 125.30 3fie h ILE 313 Ca -0.26 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3fie h ILE 313 Cb 1.08 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3fie h ILE 313 CO 1.04 0.01 0.59 0.78 0.00 0.00 0.00 178.15 180.57 3fie h ASN 314 N 0.08 1.02 0.25 1.72 -0.26 -1.97 0.13 115.58 116.55 3fie h ASN 314 Ca 0.10 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 3fie h ASN 314 Cb 0.11 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 3fie h ASN 314 CO -0.15 0.74 -0.16 -0.33 -1.06 0.00 0.00 177.43 176.46 3fie h GLU 315 N 1.21 -0.39 0.00 0.81 5.08 -1.92 0.83 114.58 120.21 3fie h GLU 315 Ca 0.33 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 3fie h GLU 315 Cb -0.13 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3fie h GLU 315 CO -0.07 -0.26 -0.39 1.88 -1.00 0.00 0.00 179.01 179.17 3fie h TYR 316 N -0.40 0.00 -0.25 4.33 0.05 -1.24 0.04 116.97 119.49 3fie h TYR 316 Ca -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 3fie h TYR 316 Cb 0.34 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3fie h TYR 316 CO -0.10 0.39 -0.03 0.87 -1.05 0.00 0.00 178.16 178.24 3fie h LYS 317 N 0.00 0.47 -0.87 4.88 1.57 -0.31 -1.25 116.57 121.06 3fie h LYS 317 Ca -0.00 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3fie h LYS 317 Cb 0.78 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 3fie h LYS 317 CO 0.05 0.67 0.54 -0.44 -0.57 0.00 0.00 179.45 179.70 3fie h ASP 318 N 0.23 1.03 0.00 0.86 3.32 -0.45 -0.02 116.42 121.39 3fie h ASP 318 Ca 0.07 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3fie h ASP 318 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3fie h ASP 318 CO 0.02 0.78 -0.05 0.22 -1.72 0.00 0.00 179.24 178.49 3fie h TYR 319 N 1.19 -0.12 0.00 4.55 5.03 -0.65 -1.66 116.97 125.31 3fie h TYR 319 Ca 0.31 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.63 3fie h TYR 319 Cb -0.08 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.26 3fie h TYR 319 CO -0.00 -0.08 0.00 0.74 -1.32 0.00 0.00 178.16 177.50 3fie h PHE 320 N -0.08 0.00 -0.54 -3.82 0.04 -1.01 -0.68 116.94 110.85 3fie h PHE 320 Ca 0.02 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 3fie h PHE 320 Cb 0.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3fie h PHE 320 CO -0.12 0.00 -0.11 0.37 -0.60 0.00 0.00 178.31 177.85 3fie h GLN 321 N 0.00 1.03 0.64 1.51 4.15 -0.39 -2.31 115.11 119.73 3fie h GLN 321 Ca 0.00 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 3fie h GLN 321 Cb 0.61 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.24 3fie h GLN 321 CO 0.00 1.07 -0.31 2.35 -1.93 0.00 0.00 178.83 180.02 3fie h TRP 322 N 0.90 -0.79 -0.90 3.99 7.01 -0.56 -0.41 115.95 125.18 3fie h TRP 322 Ca 0.14 -0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.37 3fie h TRP 322 Cb 0.68 0.26 -0.15 0.00 -2.10 0.00 0.00 29.16 27.85 3fie h TRP 322 CO 0.05 -0.49 0.24 -0.22 -2.79 0.00 0.00 178.44 175.22 3fie h LYS 323 N -1.22 0.17 -0.65 2.65 3.64 -1.13 0.15 116.57 120.17 3fie h LYS 323 Ca -0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3fie h LYS 323 Cb 0.66 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3fie h LYS 323 CO 0.14 0.11 0.00 0.66 -2.27 0.00 0.00 179.45 178.09 3fie n TYR 324 N -5.26 1.19 -3.74 1.91 4.02 -0.87 -4.97 117.16 109.45 3fie n TYR 324 Ca 0.23 -0.50 -0.25 0.00 -0.01 0.00 0.00 57.90 57.36 3fie n TYR 324 Cb 0.74 -0.15 0.02 0.00 -0.02 0.00 0.00 39.34 39.93 3fie n TYR 324 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fie n GLY 325 N 1.23 -0.55 3.74 2.72 0.00 0.04 -4.77 105.19 107.60 3fie n GLY 325 Ca 0.23 0.26 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 3fie n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fie s LEU 326 N -6.61 3.62 -0.11 0.99 1.43 -0.18 -1.14 118.68 116.67 3fie s LEU 326 Ca 0.18 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3fie s LEU 326 Cb -0.06 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 3fie s LEU 326 CO 0.84 0.12 0.08 -1.81 0.23 0.00 0.00 176.35 175.81 3fie s ASP 327 N -2.76 5.90 -0.26 2.29 1.01 0.84 -4.73 116.67 118.96 3fie s ASP 327 Ca 0.29 0.33 -0.15 0.00 0.71 0.00 0.00 52.55 53.72 3fie s ASP 327 Cb -0.11 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 3fie s ASP 327 CO 0.21 0.39 0.39 -0.75 0.21 0.00 0.00 175.17 175.61 3fie s LYS 328 N -0.92 4.04 0.95 8.23 2.20 -1.26 -1.39 119.74 131.58 3fie s LYS 328 Ca 0.14 0.08 -0.12 0.00 -0.36 0.00 0.00 55.97 55.71 3fie s LYS 328 Cb -0.12 -3.64 0.16 0.00 -1.51 0.00 0.00 37.83 32.72 3fie s LYS 328 CO 0.03 -0.25 1.12 -0.80 -0.36 0.00 0.00 175.35 175.09 3fie s ASN 329 N 1.56 3.15 0.24 1.43 0.02 0.11 -4.90 114.94 116.55 3fie s ASN 329 Ca 0.16 1.04 -0.06 0.00 -1.02 0.00 0.00 52.86 52.98 3fie s ASN 329 Cb -0.16 -1.65 0.31 0.00 0.02 0.00 0.00 41.25 39.77 3fie s ASN 329 CO 0.10 -2.78 1.87 0.00 0.02 0.00 0.00 177.10 176.30 3fie h ALA 330 N -1.66 1.19 0.00 0.60 0.00 -1.98 -0.40 119.26 117.03 3fie h ALA 330 Ca -0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3fie h ALA 330 Cb 1.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fie h ALA 330 CO 0.60 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.82 3fie n ASP 331 N -4.56 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 111.56 3fie n ASP 331 Ca 0.12 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 3fie n ASP 331 Cb 0.13 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3fie n ASP 331 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fie n GLY 332 N 0.26 0.74 3.91 6.12 0.00 -0.16 -5.06 105.19 111.00 3fie n GLY 332 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3fie n GLY 332 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fie s SER 333 N -2.99 5.30 0.04 1.61 1.04 -1.26 -4.75 113.70 112.70 3fie s SER 333 Ca 0.00 0.73 0.07 0.00 0.48 0.00 0.00 55.95 57.23 3fie s SER 333 Cb 0.00 -1.56 -0.03 0.00 0.10 0.00 0.00 66.02 64.52 3fie s SER 333 CO 0.00 -1.30 -0.18 -0.31 0.98 0.00 0.00 173.24 172.42 3fie s TYR 334 N -3.16 2.55 -0.02 5.02 1.51 -1.26 0.06 117.35 122.05 3fie s TYR 334 Ca 0.57 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 3fie s TYR 334 Cb -0.11 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3fie s TYR 334 CO 0.46 0.24 -0.08 0.95 -1.11 0.00 0.00 175.55 176.02 3fie s THR 335 N -0.91 0.70 0.23 -0.71 -4.23 -0.49 -4.47 115.64 105.76 3fie s THR 335 Ca 0.14 -0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 60.04 3fie s THR 335 Cb -0.10 -0.63 -0.10 0.00 1.34 0.00 0.00 72.50 73.01 3fie s THR 335 CO 0.05 0.22 1.47 0.68 -0.54 0.00 0.00 174.62 176.51 3fie s VAL 336 N 0.22 2.62 -0.25 2.29 -7.23 -1.26 -0.12 120.40 116.67 3fie s VAL 336 Ca -0.03 0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 60.47 3fie s VAL 336 Cb -0.08 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 3fie s VAL 336 CO 0.00 0.07 0.47 0.21 -0.31 0.00 0.00 175.10 175.54 3fie s ASN 337 N 0.53 6.41 0.18 4.85 3.84 -0.29 -4.81 114.94 125.64 3fie s ASN 337 Ca 0.62 0.49 -0.14 0.00 0.21 0.00 0.00 52.86 54.04 3fie s ASN 337 Cb -0.43 -2.26 0.18 0.00 -0.55 0.00 0.00 41.25 38.19 3fie s ASN 337 CO 0.41 -0.22 1.69 -0.33 -2.79 0.00 0.00 177.10 175.87 3fie h GLU 338 N 7.88 0.14 -0.28 0.43 4.39 -1.93 -0.01 114.58 125.19 3fie h GLU 338 Ca -0.31 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.32 3fie h GLU 338 Cb 1.15 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 3fie h GLU 338 CO 0.70 0.09 -0.04 -0.91 -1.16 0.00 0.00 179.01 177.69 3fie h ASN 339 N 0.14 0.52 -0.65 1.42 4.21 -1.94 -0.91 115.58 118.36 3fie h ASN 339 Ca 0.24 -0.35 0.03 0.00 1.21 0.00 0.00 56.30 57.44 3fie h ASN 339 Cb 0.35 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.37 3fie h ASN 339 CO -0.38 0.74 0.40 0.11 -1.29 0.00 0.00 177.43 177.01 3fie h LYS 340 N 0.28 0.75 -0.40 0.81 1.57 -1.78 -1.47 116.57 116.34 3fie h LYS 340 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3fie h LYS 340 Cb 0.50 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3fie h LYS 340 CO 0.02 0.50 0.20 0.35 -0.57 0.00 0.00 179.45 179.95 3fie h PHE 341 N 0.78 0.57 -0.65 -1.35 3.57 -0.83 -1.43 116.94 117.59 3fie h PHE 341 Ca 0.27 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3fie h PHE 341 Cb 0.04 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3fie h PHE 341 CO -0.05 0.47 0.43 -0.91 -2.23 0.00 0.00 178.31 176.02 3fie h ASN 342 N 0.51 0.65 0.86 0.41 2.35 -0.71 -0.06 115.58 119.58 3fie h ASN 342 Ca 0.14 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3fie h ASN 342 Cb 0.11 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3fie h ASN 342 CO -0.02 0.44 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.57 3fie h GLU 343 N 0.75 0.00 0.03 0.81 4.39 -0.60 -0.61 114.58 119.35 3fie h GLU 343 Ca 0.26 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 3fie h GLU 343 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3fie h GLU 343 CO -0.08 0.30 -0.27 0.82 -1.16 0.00 0.00 179.01 178.62 3fie h ILE 344 N 0.00 1.63 -0.71 3.13 2.04 -0.15 -2.24 117.51 121.22 3fie h ILE 344 Ca -0.00 -2.20 0.09 0.00 1.00 0.00 0.00 64.86 63.74 3fie h ILE 344 Cb 0.81 3.08 -0.07 0.00 -0.74 0.00 0.00 36.82 39.91 3fie h ILE 344 CO 0.04 0.60 0.36 0.22 0.00 0.00 0.00 178.15 179.37 3fie h TYR 345 N -0.66 0.65 0.13 1.37 3.20 -0.98 0.13 116.97 120.81 3fie h TYR 345 Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3fie h TYR 345 Cb 1.13 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3fie h TYR 345 CO 0.22 0.25 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.71 3fie h LYS 346 N 0.63 -0.17 -0.80 1.82 3.64 -1.18 -2.99 116.57 117.52 3fie h LYS 346 Ca 0.34 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 3fie h LYS 346 Cb 0.33 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 3fie h LYS 346 CO -0.25 0.00 0.51 -0.22 -2.27 0.00 0.00 179.45 177.22 3fie h LYS 347 N -0.30 0.96 -0.92 1.90 3.64 -0.79 -0.96 116.57 120.10 3fie h LYS 347 Ca -0.02 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3fie h LYS 347 Cb 0.24 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3fie h LYS 347 CO 0.03 0.63 0.58 -0.07 -2.27 0.00 0.00 179.45 178.35 3fie h LEU 348 N 0.99 0.93 -2.76 5.20 3.38 -0.64 -2.65 115.31 119.77 3fie h LEU 348 Ca 0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3fie h LEU 348 Cb 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3fie h LEU 348 CO -0.12 0.61 0.00 -1.22 0.09 0.00 0.00 178.44 177.80 3fie n TYR 349 N -4.56 0.75 0.45 1.13 4.01 -1.10 -4.27 117.16 113.56 3fie n TYR 349 Ca 0.13 -0.48 0.13 0.00 -0.16 0.00 0.00 57.90 57.52 3fie n TYR 349 Cb 0.16 -0.01 0.44 0.00 -0.31 0.00 0.00 39.34 39.62 3fie n TYR 349 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fie h SER 350 N 3.42 0.00 -3.85 7.72 4.64 -0.79 -3.42 113.55 121.26 3fie h SER 350 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3fie h SER 350 Cb 0.89 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.81 3fie h SER 350 CO 0.00 0.00 -0.50 -0.36 -0.87 0.00 0.00 176.83 175.10 3fie s PHE 351 N -3.26 3.23 0.04 4.77 0.08 -1.26 -5.00 117.98 116.58 3fie s PHE 351 Ca 0.07 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.27 3fie s PHE 351 Cb 0.10 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 3fie s PHE 351 CO 0.53 -0.14 -0.04 0.95 -0.10 0.00 0.00 175.22 176.43 3fie s THR 352 N 1.69 0.23 0.15 0.64 -4.23 -1.26 -4.75 115.64 108.11 3fie s THR 352 Ca 0.07 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.14 3fie s THR 352 Cb -0.16 -0.78 -0.00 0.00 1.34 0.00 0.00 72.50 72.90 3fie s THR 352 CO 0.10 -0.67 1.80 -0.08 -0.54 0.00 0.00 174.62 175.24 3fie h GLU 353 N 4.06 0.49 0.05 3.99 4.81 -0.92 -2.04 114.58 125.01 3fie h GLU 353 Ca -0.33 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3fie h GLU 353 Cb 1.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3fie h GLU 353 CO 0.50 0.33 -0.09 0.82 -0.73 0.00 0.00 179.01 179.85 3fie h ILE 354 N 0.50 0.79 0.00 2.32 1.08 -1.54 -0.91 117.51 119.76 3fie h ILE 354 Ca 0.13 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.61 3fie h ILE 354 Cb -0.05 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 3fie h ILE 354 CO -0.03 0.00 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.60 3fie h ASP 355 N -0.17 -0.16 -0.99 1.72 3.58 -1.79 -0.30 116.42 118.30 3fie h ASP 355 Ca 0.02 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.50 3fie h ASP 355 Cb 0.19 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 3fie h ASP 355 CO -0.05 -0.08 0.64 -0.07 -2.88 0.00 0.00 179.24 176.79 3fie h LEU 356 N -0.10 1.14 -0.86 2.28 3.38 -1.33 -0.23 115.31 119.60 3fie h LEU 356 Ca 0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3fie h LEU 356 Cb 0.13 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3fie h LEU 356 CO -0.06 0.84 0.35 0.00 0.09 0.00 0.00 178.44 179.66 3fie h ALA 357 N 1.37 1.10 0.09 1.53 0.00 -0.75 0.45 119.26 123.05 3fie h ALA 357 Ca 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3fie h ALA 357 Cb -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.34 3fie h ALA 357 CO -0.08 0.66 -0.04 -0.91 0.00 0.00 0.00 179.25 178.88 3fie h ASN 358 N 1.16 -0.10 0.18 0.00 -0.26 -0.39 0.35 115.58 116.52 3fie h ASN 358 Ca 0.27 -0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 3fie h ASN 358 Cb 0.17 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 3fie h ASN 358 CO -0.03 0.12 -0.18 0.11 -1.06 0.00 0.00 177.43 176.39 3fie h LYS 359 N -0.32 0.00 -0.05 0.81 1.57 -0.76 -1.41 116.57 116.41 3fie h LYS 359 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3fie h LYS 359 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3fie h LYS 359 CO 0.02 0.18 0.00 1.19 -0.57 0.00 0.00 179.45 180.27 3fie n PHE 360 N -4.33 0.05 -3.78 -1.35 3.72 0.16 -4.91 117.46 107.02 3fie n PHE 360 Ca -0.02 -0.03 -0.26 0.00 -0.05 0.00 0.00 57.45 57.09 3fie n PHE 360 Cb 0.24 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.82 3fie n PHE 360 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3fie n LYS 361 N 0.10 -6.03 -4.48 -1.08 5.02 -0.53 -4.97 118.16 106.18 3fie n LYS 361 Ca 0.19 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 56.81 3fie n LYS 361 Cb 0.32 -5.54 -0.13 0.00 -0.02 0.00 0.00 35.03 29.67 3fie n LYS 361 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fie s VAL 362 N -3.38 3.68 0.26 -0.18 1.01 0.12 -4.99 120.40 116.91 3fie s VAL 362 Ca 0.49 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 3fie s VAL 362 Cb -0.24 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 3fie s VAL 362 CO 0.80 0.50 1.20 -0.75 0.00 0.00 0.00 175.10 176.85 3fie s LYS 363 N 0.38 4.50 0.03 2.72 2.47 -1.26 -4.34 119.74 124.24 3fie s LYS 363 Ca -0.06 1.96 -0.04 0.00 -1.56 0.00 0.00 55.97 56.27 3fie s LYS 363 Cb -0.15 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.04 3fie s LYS 363 CO 0.04 -0.02 0.05 0.00 0.16 0.00 0.00 175.35 175.58 3fie n ARG 365 N 0.96 -0.85 0.01 0.00 1.85 -1.26 -4.95 116.66 112.41 3fie n ARG 365 Ca -0.20 -0.20 -0.09 0.00 -1.00 0.00 0.00 57.85 56.36 3fie n ARG 365 Cb 0.58 -2.22 -0.14 0.00 -1.05 0.00 0.00 32.46 29.63 3fie n ARG 365 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 3fie h ASN 366 N -2.00 0.04 -3.76 2.89 -0.73 -2.01 -3.48 115.58 106.54 3fie h ASN 366 Ca -0.47 -0.07 -0.41 0.00 1.87 0.00 0.00 56.30 57.22 3fie h ASN 366 Cb 1.29 -0.01 -0.16 0.00 0.27 0.00 0.00 38.32 39.70 3fie h ASN 366 CO 0.41 1.06 -0.74 0.42 -0.37 0.00 0.00 177.43 178.21 3fie s THR 367 N -2.63 1.44 0.07 -3.57 -4.23 -1.26 -4.73 115.64 100.73 3fie s THR 367 Ca -0.04 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.23 3fie s THR 367 Cb 0.08 -1.77 -0.17 0.00 1.34 0.00 0.00 72.50 71.98 3fie s THR 367 CO 0.82 -0.54 1.65 0.22 -0.54 0.00 0.00 174.62 176.24 3fie h TYR 368 N 3.05 -0.47 -2.71 3.99 3.20 -1.92 -3.40 116.97 118.71 3fie h TYR 368 Ca -0.39 -0.01 -0.64 0.00 3.14 0.00 0.00 58.73 60.83 3fie h TYR 368 Cb 1.20 0.15 -0.16 0.00 1.54 0.00 0.00 36.73 39.47 3fie h TYR 368 CO 0.67 -0.28 0.46 0.12 -1.64 0.00 0.00 178.16 177.49 3fie s PHE 369 N -6.03 2.74 0.19 -3.82 5.36 -1.26 -5.01 117.98 110.15 3fie s PHE 369 Ca -0.16 -0.63 0.07 0.00 -0.96 0.00 0.00 56.93 55.25 3fie s PHE 369 Cb 0.04 -4.23 -0.05 0.00 -0.34 0.00 0.00 43.02 38.44 3fie s PHE 369 CO 0.63 -1.58 -0.12 0.96 -1.46 0.00 0.00 175.22 173.65 3fie s ILE 370 N 3.78 1.56 -0.69 3.12 -4.36 -1.26 0.78 121.20 124.12 3fie s ILE 370 Ca 0.20 -2.16 -0.20 0.00 -0.26 0.00 0.00 60.65 58.23 3fie s ILE 370 Cb -0.18 -2.01 0.11 0.00 1.25 0.00 0.00 42.46 41.62 3fie s ILE 370 CO 0.09 -0.62 0.87 -0.75 0.24 0.00 0.00 174.94 174.77 3fie s LYS 371 N -3.68 3.21 0.10 0.37 2.47 -1.26 -4.88 119.74 116.05 3fie s LYS 371 Ca 0.21 -1.34 0.03 0.00 -1.56 0.00 0.00 55.97 53.31 3fie s LYS 371 Cb 0.01 -4.39 -0.04 0.00 -1.46 0.00 0.00 37.83 31.94 3fie s LYS 371 CO 0.05 -1.65 0.10 1.52 0.16 0.00 0.00 175.35 175.53 3fie s TYR 372 N 2.92 3.20 0.51 4.03 -0.85 -1.26 -4.95 117.35 120.96 3fie s TYR 372 Ca 0.19 0.07 0.08 0.00 -0.52 0.00 0.00 57.07 56.89 3fie s TYR 372 Cb -0.17 -1.61 0.04 0.00 0.38 0.00 0.00 41.96 40.60 3fie s TYR 372 CO 0.03 0.52 0.59 0.20 -1.52 0.00 0.00 175.55 175.38 3fie s GLY 373 N -2.55 1.99 0.22 5.49 0.00 -1.24 -4.92 107.32 106.30 3fie s GLY 373 Ca 0.30 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 43.28 3fie s GLY 373 CO 0.23 -1.72 -0.13 -1.36 0.00 0.00 0.00 173.10 170.12 3fie s PHE 374 N -2.60 1.75 -0.12 1.90 0.08 -1.26 -0.64 117.98 117.08 3fie s PHE 374 Ca 0.52 -0.59 -0.11 0.00 0.12 0.00 0.00 56.93 56.86 3fie s PHE 374 Cb -0.05 -0.84 0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3fie s PHE 374 CO 0.32 0.35 0.32 -1.17 -0.10 0.00 0.00 175.22 174.93 3fie s LEU 375 N -3.34 0.78 0.01 -0.37 2.96 -0.77 -4.88 118.68 113.08 3fie s LEU 375 Ca 0.24 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.48 3fie s LEU 375 Cb -0.00 1.10 -0.06 0.00 0.50 0.00 0.00 46.19 47.72 3fie s LEU 375 CO 0.08 -0.11 1.52 -0.75 -1.32 0.00 0.00 176.35 175.76 3fie s LYS 376 N 0.15 4.24 0.37 1.98 2.47 -1.26 -1.90 119.74 125.79 3fie s LYS 376 Ca -0.00 2.11 -0.27 0.00 -1.56 0.00 0.00 55.97 56.25 3fie s LYS 376 Cb -0.02 -3.65 -0.09 0.00 -1.46 0.00 0.00 37.83 32.61 3fie s LYS 376 CO 0.00 -0.67 1.21 0.08 0.16 0.00 0.00 175.35 176.13 3fie s VAL 377 N 2.76 3.01 1.18 4.02 1.01 -0.44 -4.93 120.40 127.00 3fie s VAL 377 Ca 0.68 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 63.37 3fie s VAL 377 Cb -0.34 -3.54 0.28 0.00 0.00 0.00 0.00 36.38 32.79 3fie s VAL 377 CO 0.28 0.14 1.17 -2.16 0.00 0.00 0.00 175.10 174.53 3fie s PRO 378 N -2.08 -1.06 -0.62 2.72 0.04 -1.26 -4.85 135.00 127.89 3fie s PRO 378 Ca 0.54 -0.25 -0.26 0.00 0.04 0.00 0.00 61.00 61.07 3fie s PRO 378 Cb -0.34 -1.63 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 3fie s PRO 378 CO 0.44 -3.57 2.15 1.21 0.04 0.00 0.00 177.00 177.26 3fie s ASN 379 N -4.20 4.77 0.53 6.66 2.47 -1.26 -4.82 114.94 119.09 3fie s ASN 379 Ca 0.73 0.49 0.35 0.00 0.42 0.00 0.00 52.86 54.84 3fie s ASN 379 Cb -0.07 -2.52 1.61 0.00 -1.45 0.00 0.00 41.25 38.82 3fie s ASN 379 CO 0.55 -2.79 2.04 -0.07 -3.72 0.00 0.00 177.10 173.12 3fie h LEU 380 N 18.53 0.00 -0.14 3.21 3.38 -1.92 -1.97 115.31 136.40 3fie h LEU 380 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3fie h LEU 380 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3fie h LEU 380 CO 1.17 0.00 -0.04 0.18 0.09 0.00 0.00 178.44 179.84 3fie n LEU 381 N -2.92 0.27 -4.48 1.67 4.77 -1.26 -4.55 117.00 110.49 3fie n LEU 381 Ca -0.00 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 3fie n LEU 381 Cb 0.21 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 3fie n LEU 381 CO 0.23 0.05 0.08 -0.62 -1.33 0.00 0.00 177.39 175.79 3fie s ASP 382 N -2.38 6.18 0.00 -1.43 -1.08 -0.74 -4.94 116.67 112.28 3fie s ASP 382 Ca 0.33 -0.70 0.05 0.00 -0.52 0.00 0.00 52.55 51.72 3fie s ASP 382 Cb 0.21 -2.21 0.23 0.00 -1.46 0.00 0.00 42.92 39.68 3fie s ASP 382 CO 0.44 -0.55 1.17 0.47 0.52 0.00 0.00 175.17 177.22 3fie n ASP 383 N 5.52 0.00 0.06 -0.34 8.00 -1.25 -0.31 116.55 128.22 3fie n ASP 383 Ca -0.08 0.49 0.13 0.00 0.71 0.00 0.00 54.79 56.04 3fie n ASP 383 Cb 0.47 -0.50 0.39 0.00 -0.02 0.00 0.00 41.12 41.47 3fie n ASP 383 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3fie n ASP 384 N -1.50 0.54 -0.05 -2.24 2.03 -1.26 -4.25 116.55 109.83 3fie n ASP 384 Ca 0.01 0.37 -0.09 0.00 0.52 0.00 0.00 54.79 55.60 3fie n ASP 384 Cb 0.06 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 3fie n ASP 384 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3fie n ILE 385 N -1.95 0.50 -3.85 5.18 5.41 0.57 -5.05 119.36 120.18 3fie n ILE 385 Ca 0.05 -0.14 -0.18 0.00 1.00 0.00 0.00 62.75 63.48 3fie n ILE 385 Cb 0.40 -1.46 -0.17 0.00 -0.71 0.00 0.00 39.64 37.70 3fie n ILE 385 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3fie s TYR 386 N -2.17 0.32 0.31 1.39 5.04 0.18 -4.39 117.35 118.03 3fie s TYR 386 Ca -0.13 0.02 0.11 0.00 -2.44 0.00 0.00 57.07 54.64 3fie s TYR 386 Cb 0.05 -0.48 -0.06 0.00 0.35 0.00 0.00 41.96 41.82 3fie s TYR 386 CO 0.17 -0.17 -0.14 0.95 -1.34 0.00 0.00 175.55 175.02 3fie s THR 387 N 1.39 2.43 0.13 4.34 -4.23 -0.72 -3.91 115.64 115.08 3fie s THR 387 Ca -0.05 -2.28 -0.16 0.00 -1.18 0.00 0.00 61.69 58.02 3fie s THR 387 Cb -0.13 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3fie s THR 387 CO -0.03 -0.31 1.68 0.58 -0.54 0.00 0.00 174.62 176.00 3fie h VAL 388 N 2.13 1.20 -0.11 2.29 2.07 -1.89 0.11 116.25 122.05 3fie h VAL 388 Ca -0.41 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.32 3fie h VAL 388 Cb 1.26 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3fie h VAL 388 CO 0.65 0.22 -0.65 0.77 0.02 0.00 0.00 177.57 178.58 3fie h SER 389 N 0.50 0.49 0.00 0.57 4.64 -1.93 -3.39 113.55 114.43 3fie h SER 389 Ca 0.13 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3fie h SER 389 Cb 0.20 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3fie h SER 389 CO -0.01 1.01 0.00 -0.62 -0.87 0.00 0.00 176.83 176.34 3fie n GLU 390 N -3.89 0.64 0.00 4.77 1.02 -1.23 -5.05 120.64 116.90 3fie n GLU 390 Ca -0.04 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 3fie n GLU 390 Cb 0.66 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 3fie n GLU 390 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fie n GLY 391 N 0.17 2.55 0.16 0.62 0.00 0.40 -2.31 105.19 106.77 3fie n GLY 391 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.67 3fie n GLY 391 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fie h PHE 392 N 0.00 0.00 -0.04 1.61 0.04 -1.86 -1.91 116.94 114.78 3fie h PHE 392 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3fie h PHE 392 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3fie h PHE 392 CO 0.00 0.47 2.91 0.09 -0.60 0.00 0.00 178.31 181.18 3fie n ASN 393 N -3.35 8.01 -4.61 2.17 3.02 -0.98 -4.47 115.26 115.04 3fie n ASN 393 Ca 0.01 -2.57 -0.43 0.00 -0.03 0.00 0.00 54.58 51.56 3fie n ASN 393 Cb 0.65 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.27 3fie n ASN 393 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fie s ILE 394 N 1.79 3.64 0.00 2.41 1.01 -1.26 -3.85 121.20 124.94 3fie s ILE 394 Ca 0.69 0.68 0.00 0.00 0.00 0.00 0.00 60.65 62.02 3fie s ILE 394 Cb 0.21 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.92 3fie s ILE 394 CO -0.05 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.08 3fie n GLY 395 N 5.04 1.25 0.31 6.18 0.00 -1.26 -1.71 105.19 115.00 3fie n GLY 395 Ca 0.20 0.59 0.13 0.00 0.00 0.00 0.00 46.02 46.94 3fie n GLY 395 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fie h ASN 396 N 0.00 0.33 0.00 1.61 -0.00 -2.00 0.77 115.58 116.29 3fie h ASN 396 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 3fie h ASN 396 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 3fie h ASN 396 CO 0.00 -0.00 0.00 0.18 -0.00 0.00 0.00 177.43 177.61 3fie n LEU 397 N -5.04 0.00 0.19 0.34 4.77 -0.69 -2.48 117.00 114.07 3fie n LEU 397 Ca 0.22 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 3fie n LEU 397 Cb 0.65 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.96 3fie n LEU 397 CO 0.13 0.00 0.80 0.00 -1.33 0.00 0.00 177.39 176.99 3fie h ALA 398 N 2.53 0.98 -2.28 -1.18 0.00 -0.94 -0.60 119.26 117.77 3fie h ALA 398 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3fie h ALA 398 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fie h ALA 398 CO 0.00 0.00 0.80 0.08 0.00 0.00 0.00 179.25 180.13 3fie s VAL 399 N -3.19 4.11 -1.76 0.00 1.01 -1.04 -2.39 120.40 117.14 3fie s VAL 399 Ca 0.08 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3fie s VAL 399 Cb 0.07 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3fie s VAL 399 CO 0.66 -0.04 0.00 0.59 0.00 0.00 0.00 175.10 176.31 3fie n ASN 400 N 5.68 -5.54 -4.05 3.32 4.13 -1.26 -1.56 115.26 115.98 3fie n ASN 400 Ca 0.12 0.41 -0.31 0.00 1.68 0.00 0.00 54.58 56.49 3fie n ASN 400 Cb 0.45 -4.54 -0.01 0.00 -1.54 0.00 0.00 39.78 34.14 3fie n ASN 400 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3fie n ASN 401 N -1.27 -2.45 0.29 6.41 3.02 -1.01 -4.80 115.26 115.47 3fie n ASN 401 Ca -0.17 -0.96 0.16 0.00 -0.03 0.00 0.00 54.58 53.59 3fie n ASN 401 Cb 0.64 -3.14 0.90 0.00 -0.61 0.00 0.00 39.78 37.57 3fie n ASN 401 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3fie h ARG 402 N -1.75 0.00 0.00 3.52 2.43 -0.46 -1.96 114.38 116.17 3fie h ARG 402 Ca -0.60 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.56 3fie h ARG 402 Cb 1.38 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3fie h ARG 402 CO 0.70 0.05 -0.05 0.78 -1.51 0.00 0.00 179.97 179.94 3fie h GLY 403 N 0.55 0.00 0.30 2.80 0.00 -1.36 -1.54 103.07 103.83 3fie h GLY 403 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fie h GLY 403 CO 0.01 0.00 -1.10 -1.06 0.00 0.00 0.00 176.54 174.39 3fie n GLN 404 N -4.03 0.19 -1.89 4.80 6.02 -0.74 -4.69 117.38 117.04 3fie n GLN 404 Ca -0.03 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.50 3fie n GLN 404 Cb 0.13 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 3fie n GLN 404 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3fie s ASN 405 N -3.53 5.93 0.62 1.08 3.84 -0.58 -1.39 114.94 120.92 3fie s ASN 405 Ca 0.05 1.65 0.31 0.00 0.21 0.00 0.00 52.86 55.08 3fie s ASN 405 Cb 0.15 -2.52 1.72 0.00 -0.55 0.00 0.00 41.25 40.05 3fie s ASN 405 CO 0.83 -1.62 2.05 0.40 -2.79 0.00 0.00 177.10 175.98 3fie h ILE 406 N 6.65 0.27 0.00 -5.21 2.04 -1.65 -1.73 117.51 117.88 3fie h ILE 406 Ca -0.37 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3fie h ILE 406 Cb 1.19 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3fie h ILE 406 CO 1.00 0.00 -0.54 2.29 0.00 0.00 0.00 178.15 180.89 3fie n LYS 407 N -3.46 3.75 0.00 2.37 2.85 -1.26 -4.55 118.16 117.86 3fie n LYS 407 Ca 0.01 -0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 3fie n LYS 407 Cb 0.36 -0.86 0.07 0.00 -0.65 0.00 0.00 35.03 33.96 3fie n LYS 407 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3fie n LEU 408 N -1.29 2.06 -4.13 -5.58 4.77 -1.06 -4.75 117.00 107.01 3fie n LEU 408 Ca 0.00 -0.73 -0.33 0.00 -0.03 0.00 0.00 56.01 54.92 3fie n LEU 408 Cb 0.10 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 3fie n LEU 408 CO 0.10 0.37 -0.43 0.21 -1.33 0.00 0.00 177.39 176.32 3fie s ASN 409 N -2.39 4.41 0.63 -1.43 3.84 -0.67 -4.96 114.94 114.36 3fie s ASN 409 Ca 0.21 -1.19 0.39 0.00 0.21 0.00 0.00 52.86 52.49 3fie s ASN 409 Cb 0.19 -1.61 2.10 0.00 -0.55 0.00 0.00 41.25 41.38 3fie s ASN 409 CO 0.52 -0.18 2.27 -0.65 -2.79 0.00 0.00 177.10 176.27 3fie h PRO 410 N 7.90 0.00 0.00 0.43 0.11 -1.88 -2.71 132.00 135.85 3fie h PRO 410 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3fie h PRO 410 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fie h PRO 410 CO 0.52 0.01 0.00 0.87 -0.21 0.00 0.00 178.00 179.19 3fie h LYS 411 N 0.00 0.00 -0.03 1.05 1.79 -1.95 -3.53 116.57 113.91 3fie h LYS 411 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3fie h LYS 411 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3fie h LYS 411 CO 0.00 0.00 0.00 -0.89 -1.08 0.00 0.00 179.45 177.48