#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fie s VAL 3 N 0.00 2.23 -0.19 0.52 -7.23 -1.26 -4.98 120.40 109.50 3fie s VAL 3 Ca 0.00 0.13 -0.14 0.00 -1.81 0.00 0.00 61.98 60.17 3fie s VAL 3 Cb 0.00 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 3fie s VAL 3 CO 0.00 -0.04 0.29 -0.69 -0.31 0.00 0.00 175.10 174.35 3fie s VAL 4 N -1.64 5.29 -0.18 1.32 1.01 -1.26 -5.07 120.40 119.87 3fie s VAL 4 Ca 0.79 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 3fie s VAL 4 Cb -0.33 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3fie s VAL 4 CO 0.40 0.35 0.11 -0.63 0.00 0.00 0.00 175.10 175.33 3fie s ILE 5 N 0.78 5.23 0.01 2.22 1.01 -1.26 -4.44 121.20 124.75 3fie s ILE 5 Ca 0.15 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.76 3fie s ILE 5 Cb -0.13 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 3fie s ILE 5 CO 0.05 0.48 0.46 0.20 0.00 0.00 0.00 174.94 176.12 3fie s ASN 6 N 0.12 6.86 -0.02 3.58 0.01 -0.13 -5.02 114.94 120.33 3fie s ASN 6 Ca 0.08 1.03 -0.02 0.00 -0.71 0.00 0.00 52.86 53.23 3fie s ASN 6 Cb -0.11 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 3fie s ASN 6 CO -0.00 0.27 0.14 -0.44 -1.51 0.00 0.00 177.10 175.56 3fie s SER 7 N -0.88 6.11 0.10 -1.22 0.01 -1.26 -4.81 113.70 111.76 3fie s SER 7 Ca 0.25 0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.76 3fie s SER 7 Cb -0.17 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 3fie s SER 7 CO 0.14 0.29 0.11 -0.36 0.41 0.00 0.00 173.24 173.83 3fie s PHE 8 N -1.24 0.49 -0.03 2.43 0.08 -1.26 -5.14 117.98 113.32 3fie s PHE 8 Ca 0.24 -0.92 0.06 0.00 0.12 0.00 0.00 56.93 56.43 3fie s PHE 8 Cb -0.12 -0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.05 3fie s PHE 8 CO 0.15 -0.53 -0.21 -0.80 -0.10 0.00 0.00 175.22 173.73 3fie s ASN 9 N -2.95 3.45 0.55 1.36 0.02 -1.26 -4.78 114.94 111.33 3fie s ASN 9 Ca 0.13 -0.36 0.24 0.00 -1.02 0.00 0.00 52.86 51.85 3fie s ASN 9 Cb 0.06 -0.54 1.46 0.00 0.02 0.00 0.00 41.25 42.25 3fie s ASN 9 CO -0.05 0.33 2.06 0.22 0.02 0.00 0.00 177.10 179.68 3fie h TYR 10 N 5.41 0.00 -0.32 2.20 3.20 -1.89 -1.81 116.97 123.76 3fie h TYR 10 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3fie h TYR 10 Cb 1.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3fie h TYR 10 CO 0.44 0.00 0.00 0.27 -1.64 0.00 0.00 178.16 177.23 3fie n ASN 11 N -4.21 2.32 -4.78 -2.11 6.94 -1.26 -4.94 115.26 107.22 3fie n ASN 11 Ca 0.04 -1.87 -0.41 0.00 -0.02 0.00 0.00 54.58 52.32 3fie n ASN 11 Cb 0.39 -0.21 -0.00 0.00 -2.36 0.00 0.00 39.78 37.60 3fie n ASN 11 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3fie s ASP 12 N -1.35 6.33 0.73 0.53 1.01 -0.68 -4.91 116.67 118.33 3fie s ASP 12 Ca 0.33 3.05 -0.16 0.00 0.71 0.00 0.00 52.55 56.49 3fie s ASP 12 Cb 0.18 -2.67 0.04 0.00 1.01 0.00 0.00 42.92 41.48 3fie s ASP 12 CO 0.25 -0.89 1.25 -2.16 0.21 0.00 0.00 175.17 173.84 3fie s PRO 13 N -1.96 2.06 0.49 8.23 0.04 -1.26 -4.96 135.00 137.64 3fie s PRO 13 Ca 0.54 1.92 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 3fie s PRO 13 Cb -0.47 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 3fie s PRO 13 CO 0.62 -1.93 1.25 0.08 0.04 0.00 0.00 177.00 177.06 3fie s VAL 14 N -1.77 2.65 0.00 -0.36 1.01 -1.26 -4.86 120.40 115.81 3fie s VAL 14 Ca 0.78 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3fie s VAL 14 Cb -0.33 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3fie s VAL 14 CO 0.45 0.00 0.47 -0.46 0.00 0.00 0.00 175.10 175.57 3fie n ASN 15 N -0.64 0.00 0.00 3.32 0.23 -0.25 -5.01 115.26 112.91 3fie n ASN 15 Ca 0.08 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.13 3fie n ASN 15 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 0.00 0.00 -0.05 0.53 8.00 -0.75 -4.69 116.55 119.59 3fie n ASP 16 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3fie n ASP 16 Cb 0.49 -1.90 -0.02 0.00 -0.02 0.00 0.00 41.12 39.66 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 0.00 1.69 -0.06 -2.24 2.03 -1.26 -4.84 116.55 111.88 3fie n ASP 17 Ca 0.00 0.27 0.02 0.00 0.52 0.00 0.00 54.79 55.60 3fie n ASP 17 Cb 0.00 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.77 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 -4.17 0.00 -3.70 5.18 -2.24 -1.26 -4.91 114.28 103.18 3fie n THR 18 Ca -0.12 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.01 3fie n THR 18 Cb 0.40 1.03 -0.18 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.94 -0.04 0.27 2.28 1.01 -1.26 -1.09 121.20 121.44 3fie s ILE 19 Ca 0.02 0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.86 3fie s ILE 19 Cb 0.03 -0.19 0.07 0.00 0.01 0.00 0.00 42.46 42.37 3fie s ILE 19 CO 0.10 0.18 0.93 0.00 0.00 0.00 0.00 174.94 176.16 3fie n LEU 20 N 5.16 0.00 -4.73 2.97 -0.00 -0.91 -1.09 117.00 118.40 3fie n LEU 20 Ca -0.06 -1.94 -0.36 0.00 -0.00 0.00 0.00 56.01 53.65 3fie n LEU 20 Cb 0.50 3.25 -0.08 0.00 -0.00 0.00 0.00 43.42 47.10 3fie n LEU 20 CO 0.08 -0.65 -0.10 -0.31 -0.00 0.00 0.00 177.39 176.41 3fie s TYR 21 N -2.13 3.44 0.07 1.47 2.02 -1.21 0.55 117.35 121.56 3fie s TYR 21 Ca 0.20 0.46 0.05 0.00 -0.37 0.00 0.00 57.07 57.41 3fie s TYR 21 Cb -0.04 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.25 3fie s TYR 21 CO 0.08 0.27 -0.14 1.41 -1.57 0.00 0.00 175.55 175.60 3fie s MET 22 N 0.40 0.82 0.05 -0.62 -2.45 0.35 -0.66 119.30 117.19 3fie s MET 22 Ca 0.12 -0.97 -0.11 0.00 -1.25 0.00 0.00 55.69 53.48 3fie s MET 22 Cb -0.12 -0.80 -0.06 0.00 1.25 0.00 0.00 34.83 35.11 3fie s MET 22 CO 0.01 0.17 0.39 -0.65 1.05 0.00 0.00 175.02 175.99 3fie s GLN 23 N -1.82 3.79 0.15 4.11 -0.21 0.24 -0.58 119.66 125.34 3fie s GLN 23 Ca -0.02 0.23 -0.30 0.00 0.02 0.00 0.00 55.36 55.29 3fie s GLN 23 Cb -0.09 -3.07 -0.08 0.00 1.00 0.00 0.00 33.01 30.77 3fie s GLN 23 CO 0.02 0.60 1.23 0.42 -2.12 0.00 0.00 175.29 175.45 3fie s ILE 24 N -1.30 3.60 0.34 1.08 -1.09 -1.26 -4.55 121.20 118.02 3fie s ILE 24 Ca 0.30 1.27 -0.29 0.00 -2.23 0.00 0.00 60.65 59.71 3fie s ILE 24 Cb -0.15 -3.81 -0.12 0.00 -1.58 0.00 0.00 42.46 36.80 3fie s ILE 24 CO 0.16 0.17 1.38 -2.65 -1.23 0.00 0.00 174.94 172.77 3fie n PRO 25 N 2.99 2.31 -0.29 2.79 -0.02 -1.26 -1.45 135.00 140.06 3fie n PRO 25 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3fie n PRO 25 Cb 0.45 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.69 0.00 -2.42 6.00 4.01 -1.26 -4.87 117.16 119.31 3fie n TYR 26 Ca 0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.60 3fie n TYR 26 Cb 0.36 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.41 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 2.86 0.01 -0.72 1.02 -0.53 -4.81 120.64 116.47 3fie n GLU 27 Ca 0.00 -4.05 -0.17 0.00 -0.02 0.00 0.00 57.16 52.91 3fie n GLU 27 Cb 0.00 -2.00 -0.12 0.00 -0.02 0.00 0.00 31.44 29.30 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 2.53 0.33 0.00 3.49 3.07 -1.90 -3.31 114.58 118.80 3fie h GLU 28 Ca 0.19 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3fie h GLU 28 Cb 1.20 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3fie h GLU 28 CO 0.67 1.10 0.14 0.87 -1.40 0.00 0.00 179.01 180.39 3fie h LYS 29 N -0.26 0.00 0.00 2.33 6.56 -1.95 0.11 116.57 123.35 3fie h LYS 29 Ca -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 3fie h LYS 29 Cb 1.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 3fie h LYS 29 CO 0.11 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.16 3fie h SER 30 N 0.00 0.00 0.00 0.86 4.64 -1.95 -3.46 113.55 113.64 3fie h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fie h SER 30 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3fie h SER 30 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3fie n LYS 31 N -2.97 -1.52 -2.98 4.77 5.02 0.37 -4.97 118.16 115.88 3fie n LYS 31 Ca 0.03 0.38 -0.39 0.00 -2.02 0.00 0.00 58.31 56.31 3fie n LYS 31 Cb 0.43 -4.53 -0.06 0.00 -0.02 0.00 0.00 35.03 30.86 3fie n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3fie s LYS 32 N -1.53 4.57 0.25 1.97 1.02 -1.26 -5.08 119.74 119.68 3fie s LYS 32 Ca 0.00 1.16 0.10 0.00 0.02 0.00 0.00 55.97 57.25 3fie s LYS 32 Cb 0.00 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 3fie s LYS 32 CO 0.00 0.56 -0.18 0.71 -0.92 0.00 0.00 175.35 175.52 3fie s TYR 33 N -1.09 2.07 0.09 3.18 2.02 -1.26 -4.55 117.35 117.80 3fie s TYR 33 Ca 0.36 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 3fie s TYR 33 Cb -0.23 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 3fie s TYR 33 CO 0.26 0.57 -0.08 0.71 -1.57 0.00 0.00 175.55 175.45 3fie s TYR 34 N -2.63 0.90 -0.05 2.71 2.02 0.25 -4.87 117.35 115.67 3fie s TYR 34 Ca 0.27 -0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 55.90 3fie s TYR 34 Cb -0.04 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 3fie s TYR 34 CO 0.12 -0.09 1.31 0.21 -1.57 0.00 0.00 175.55 175.52 3fie s LYS 35 N -3.13 4.30 0.11 -0.62 2.20 -1.26 -0.49 119.74 120.84 3fie s LYS 35 Ca 0.06 1.80 0.09 0.00 -0.36 0.00 0.00 55.97 57.56 3fie s LYS 35 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3fie s LYS 35 CO -0.02 -0.56 -0.18 0.00 -0.36 0.00 0.00 175.35 174.22 3fie s ALA 36 N 2.60 2.67 -0.07 3.13 0.00 0.19 -4.44 121.76 125.83 3fie s ALA 36 Ca 0.59 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3fie s ALA 36 Cb -0.27 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3fie s ALA 36 CO 0.23 0.59 -0.11 -0.06 0.00 0.00 0.00 175.76 176.40 3fie s PHE 37 N -1.12 1.44 -0.52 0.00 0.08 -0.67 -2.13 117.98 115.07 3fie s PHE 37 Ca 0.17 -0.56 -0.25 0.00 0.12 0.00 0.00 56.93 56.42 3fie s PHE 37 Cb -0.11 -1.08 0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3fie s PHE 37 CO 0.09 -0.31 0.97 -2.00 -0.10 0.00 0.00 175.22 173.88 3fie s GLU 38 N 0.81 3.44 0.21 0.44 2.12 -0.25 -0.70 118.70 124.77 3fie s GLU 38 Ca -0.12 -0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.14 3fie s GLU 38 Cb -0.15 -3.99 0.16 0.00 0.26 0.00 0.00 34.13 30.40 3fie s GLU 38 CO 0.02 -1.40 1.62 0.82 -0.54 0.00 0.00 175.26 175.78 3fie h ILE 39 N 6.07 1.27 -2.43 -3.70 2.04 -1.22 -3.40 117.51 116.14 3fie h ILE 39 Ca -0.25 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.29 3fie h ILE 39 Cb 1.07 1.17 -0.16 0.00 -0.74 0.00 0.00 36.82 38.16 3fie h ILE 39 CO 1.08 0.45 0.30 0.00 0.00 0.00 0.00 178.15 179.98 3fie s MET 40 N -4.65 1.05 -0.21 2.37 0.23 -1.16 -0.96 119.30 115.97 3fie s MET 40 Ca -0.10 -0.18 -0.41 0.00 -1.03 0.00 0.00 55.69 53.97 3fie s MET 40 Cb 0.13 0.49 -0.18 0.00 -1.53 0.00 0.00 34.83 33.74 3fie s MET 40 CO 0.84 -0.42 1.52 -2.13 -2.03 0.00 0.00 175.02 172.80 3fie n ARG 41 N 0.10 0.67 -0.95 3.16 0.63 -1.26 -0.04 116.66 118.97 3fie n ARG 41 Ca -0.15 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3fie n ARG 41 Cb 0.61 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.68 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 3.81 -1.27 -4.01 6.15 5.03 -1.26 -4.60 115.26 119.10 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 0.09 -0.60 -0.16 0.00 -1.02 0.00 0.00 39.78 38.09 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 -2.91 1.79 0.30 2.41 1.01 0.94 -0.98 120.40 122.96 3fie s VAL 43 Ca 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.86 3fie s VAL 43 Cb 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3fie s VAL 43 CO 0.00 0.09 0.02 0.26 0.00 0.00 0.00 175.10 175.47 3fie s TRP 44 N 1.31 2.63 -0.02 5.22 0.52 0.03 -0.69 118.94 127.95 3fie s TRP 44 Ca -0.04 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 55.76 3fie s TRP 44 Cb -0.18 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 3fie s TRP 44 CO -0.07 0.52 0.01 -1.50 0.02 0.00 0.00 176.95 175.93 3fie s ILE 45 N -2.42 0.06 -0.35 2.03 2.07 0.12 -0.75 121.20 121.97 3fie s ILE 45 Ca 0.34 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.66 3fie s ILE 45 Cb -0.04 -0.14 0.09 0.00 0.13 0.00 0.00 42.46 42.50 3fie s ILE 45 CO 0.20 0.09 0.09 -0.63 -1.91 0.00 0.00 174.94 172.77 3fie s ILE 46 N 0.70 2.89 -1.05 2.00 1.01 -0.50 -1.67 121.20 124.59 3fie s ILE 46 Ca -0.06 -1.90 -0.12 0.00 0.00 0.00 0.00 60.65 58.57 3fie s ILE 46 Cb -0.09 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 3fie s ILE 46 CO -0.02 -0.46 2.20 -0.81 0.00 0.00 0.00 174.94 175.86 3fie n PRO 47 N 4.51 2.26 -4.17 2.79 -0.04 -1.26 -3.68 135.00 135.41 3fie n PRO 47 Ca -0.05 -1.80 -0.13 0.00 -0.04 0.00 0.00 63.50 61.48 3fie n PRO 47 Cb 0.42 -2.72 -0.10 0.00 -0.04 0.00 0.00 33.50 31.06 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 3.62 0.85 0.37 0.54 0.41 -1.26 -4.80 118.70 118.42 3fie s GLU 48 Ca 0.50 -1.23 -0.28 0.00 -0.41 0.00 0.00 54.97 53.55 3fie s GLU 48 Cb 0.13 -0.41 -0.10 0.00 -1.78 0.00 0.00 34.13 31.97 3fie s GLU 48 CO -0.00 0.04 1.38 1.03 -0.49 0.00 0.00 175.26 177.22 3fie s ARG 49 N -3.19 4.16 -0.72 1.61 1.81 -1.26 -0.05 118.95 121.31 3fie s ARG 49 Ca 0.08 2.36 -0.27 0.00 -1.72 0.00 0.00 55.73 56.18 3fie s ARG 49 Cb 0.00 -2.95 0.03 0.00 -0.45 0.00 0.00 34.95 31.58 3fie s ARG 49 CO -0.02 -0.41 1.26 1.21 -0.68 0.00 0.00 175.30 176.66 3fie s ASN 50 N -0.40 6.20 0.00 0.23 3.84 -0.30 -4.80 114.94 119.71 3fie s ASN 50 Ca 0.52 -0.39 0.26 0.00 0.21 0.00 0.00 52.86 53.47 3fie s ASN 50 Cb -0.42 -2.55 0.70 0.00 -0.55 0.00 0.00 41.25 38.42 3fie s ASN 50 CO 0.56 -1.78 1.54 0.35 -2.79 0.00 0.00 177.10 174.99 3fie n THR 51 N 6.41 0.00 -1.68 -5.21 -2.24 -1.26 -4.40 114.28 105.89 3fie n THR 51 Ca 0.04 -0.33 -0.52 0.00 -2.27 0.00 0.00 64.05 60.96 3fie n THR 51 Cb 0.49 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.53 0.31 -1.78 2.28 5.41 -1.26 -1.11 119.36 123.74 3fie n ILE 52 Ca 0.17 -0.06 -0.16 0.00 1.00 0.00 0.00 62.75 63.70 3fie n ILE 52 Cb 0.44 -1.40 -0.04 0.00 -0.71 0.00 0.00 39.64 37.93 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 3.89 0.86 3.74 7.39 0.00 -1.26 -5.00 105.19 114.81 3fie n GLY 53 Ca 0.23 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.66 1.67 -0.01 2.61 -4.23 -0.27 -5.14 115.64 107.62 3fie s THR 54 Ca 0.00 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 3fie s THR 54 Cb 0.00 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 3fie s THR 54 CO 0.00 0.00 -0.17 -1.81 -0.54 0.00 0.00 174.62 172.10 3fie s ASP 55 N -3.89 2.00 0.32 3.99 1.01 -1.26 -5.04 116.67 113.79 3fie s ASP 55 Ca 0.24 -0.33 0.06 0.00 0.71 0.00 0.00 52.55 53.23 3fie s ASP 55 Cb 0.04 -0.21 0.87 0.00 1.01 0.00 0.00 42.92 44.63 3fie s ASP 55 CO 0.13 0.19 1.58 -0.65 0.21 0.00 0.00 175.17 176.63 3fie h PRO 56 N 5.61 0.03 -0.49 8.23 0.11 -2.00 0.17 132.00 143.65 3fie h PRO 56 Ca -0.37 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.88 3fie h PRO 56 Cb 1.15 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3fie h PRO 56 CO 0.48 0.02 0.38 0.66 -0.21 0.00 0.00 178.00 179.32 3fie h SER 57 N 0.03 0.00 0.08 -2.05 4.64 -1.97 -1.79 113.55 112.49 3fie h SER 57 Ca 0.65 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.97 3fie h SER 57 Cb 1.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3fie h SER 57 CO -0.87 0.00 -0.01 0.44 -0.87 0.00 0.00 176.83 175.52 3fie h ASP 58 N 0.00 0.00 0.91 4.97 3.32 -1.07 -1.82 116.42 122.72 3fie h ASP 58 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3fie h ASP 58 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3fie h ASP 58 CO -0.00 0.01 -0.10 0.49 -1.72 0.00 0.00 179.24 177.92 3fie n PHE 59 N -3.40 0.01 -3.21 4.55 3.72 -0.67 -4.76 117.46 113.69 3fie n PHE 59 Ca -0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 3fie n PHE 59 Cb 0.10 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.12 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 -3.02 7.07 0.30 4.37 1.01 -0.69 -3.19 116.67 122.52 3fie s ASP 60 Ca 0.13 1.31 -0.29 0.00 0.71 0.00 0.00 52.55 54.41 3fie s ASP 60 Cb 0.19 -2.38 -0.10 0.00 1.01 0.00 0.00 42.92 41.63 3fie s ASP 60 CO 0.56 0.19 1.43 -2.16 0.21 0.00 0.00 175.17 175.41 3fie s PRO 61 N -1.42 4.24 -0.03 8.23 0.04 -1.26 -4.89 135.00 139.91 3fie s PRO 61 Ca 0.34 2.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 3fie s PRO 61 Cb -0.19 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 3fie s PRO 61 CO 0.20 -0.41 1.80 -1.25 0.04 0.00 0.00 177.00 177.38 3fie s PRO 62 N -1.03 4.12 0.00 0.56 0.04 -1.26 -4.81 135.00 132.62 3fie s PRO 62 Ca 0.56 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.94 3fie s PRO 62 Cb -0.43 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.04 3fie s PRO 62 CO 0.50 -0.95 0.58 0.00 0.04 0.00 0.00 177.00 177.17 3fie n ALA 63 N 7.48 2.13 -1.67 8.56 0.00 -1.26 -2.29 120.51 133.47 3fie n ALA 63 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.68 3fie n ALA 63 Cb 0.42 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 0.52 1.37 -2.05 0.00 3.41 -1.26 -5.06 113.62 110.54 3fie n SER 64 Ca 0.00 -2.80 -0.04 0.00 -0.26 0.00 0.00 58.87 55.77 3fie n SER 64 Cb 0.29 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 63.88 3fie n SER 64 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3fie n LEU 65 N -0.67 0.00 -4.51 1.04 0.00 -0.97 -5.16 117.00 106.73 3fie n LEU 65 Ca 0.11 -1.15 -0.36 0.00 0.00 0.00 0.00 56.01 54.60 3fie n LEU 65 Cb 0.75 1.84 -0.12 0.00 0.00 0.00 0.00 43.42 45.89 3fie n LEU 65 CO -0.01 -0.38 -0.26 -0.70 0.00 0.00 0.00 177.39 176.03 3fie s GLU 66 N -2.04 3.77 -0.30 1.96 2.56 -1.26 -4.92 118.70 118.47 3fie s GLU 66 Ca 0.10 -0.43 -0.28 0.00 0.00 0.00 0.00 54.97 54.36 3fie s GLU 66 Cb -0.02 -3.34 0.01 0.00 2.00 0.00 0.00 34.13 32.78 3fie s GLU 66 CO 0.05 -0.08 1.03 1.21 -0.56 0.00 0.00 175.26 176.92 3fie s ASN 67 N 1.33 6.94 0.00 -1.70 2.47 -1.26 -3.66 114.94 119.06 3fie s ASN 67 Ca 0.05 1.08 0.00 0.00 0.42 0.00 0.00 52.86 54.42 3fie s ASN 67 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3fie s ASN 67 CO 0.04 -0.80 0.00 0.61 -3.72 0.00 0.00 177.10 173.23 3fie n GLY 68 N 3.78 1.18 0.00 1.21 0.00 -0.11 -4.99 105.19 106.26 3fie n GLY 68 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.37 1.61 3.41 -1.24 -4.74 113.62 112.29 3fie n SER 69 Ca 0.00 0.08 0.05 0.00 -0.26 0.00 0.00 58.87 58.74 3fie n SER 69 Cb 0.00 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.99 1.67 -3.57 4.04 3.41 -1.26 -4.53 113.62 112.39 3fie n SER 70 Ca 0.00 -1.33 -0.14 0.00 -0.26 0.00 0.00 58.87 57.13 3fie n SER 70 Cb 0.00 0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.11 -1.36 -0.09 7.33 0.00 -1.26 -5.00 121.76 120.27 3fie s ALA 71 Ca 0.11 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 3fie s ALA 71 Cb 0.09 0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.61 3fie s ALA 71 CO 0.19 -0.49 0.20 -0.47 0.00 0.00 0.00 175.76 175.18 3fie s TYR 72 N -2.33 -0.25 -0.04 0.00 5.04 -1.26 -0.93 117.35 117.57 3fie s TYR 72 Ca -0.06 0.66 0.07 0.00 -2.44 0.00 0.00 57.07 55.30 3fie s TYR 72 Cb -0.01 -0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.23 3fie s TYR 72 CO -0.01 -0.22 -0.24 0.71 -1.34 0.00 0.00 175.55 174.45 3fie s TYR 73 N 1.48 2.42 -0.29 4.97 2.02 -1.26 -1.55 117.35 125.14 3fie s TYR 73 Ca -0.07 -0.53 0.05 0.00 -0.37 0.00 0.00 57.07 56.15 3fie s TYR 73 Cb -0.11 -1.56 0.19 0.00 -0.40 0.00 0.00 41.96 40.08 3fie s TYR 73 CO -0.07 -0.10 0.56 0.34 -1.57 0.00 0.00 175.55 174.72 3fie s ASP 74 N -0.42 -1.34 0.03 2.29 -1.08 -1.23 -4.58 116.67 110.34 3fie s ASP 74 Ca 0.04 0.10 0.10 0.00 -0.52 0.00 0.00 52.55 52.27 3fie s ASP 74 Cb -0.12 1.90 0.42 0.00 -1.46 0.00 0.00 42.92 43.67 3fie s ASP 74 CO 0.01 -0.31 1.31 -0.81 0.52 0.00 0.00 175.17 175.89 3fie n PRO 75 N 5.41 0.02 0.00 4.34 -0.04 -1.19 -2.13 135.00 141.41 3fie n PRO 75 Ca 0.04 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 3fie n PRO 75 Cb 0.53 -1.55 0.15 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.59 0.80 -4.75 3.54 3.02 -1.26 -4.91 115.26 110.11 3fie n ASN 76 Ca 0.02 -0.61 -0.41 0.00 -0.03 0.00 0.00 54.58 53.54 3fie n ASN 76 Cb 0.10 0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 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 -2.90 3.10 -1.21 3.10 5.04 -0.91 -3.33 117.35 120.24 3fie s TYR 77 Ca 0.12 1.18 -0.05 0.00 -2.44 0.00 0.00 57.07 55.88 3fie s TYR 77 Cb 0.17 -3.72 0.01 0.00 0.35 0.00 0.00 41.96 38.77 3fie s TYR 77 CO 0.72 -2.24 1.04 -0.11 -1.34 0.00 0.00 175.55 173.61 3fie n LEU 78 N 2.07 -3.55 -0.00 6.97 7.94 -1.26 -4.84 117.00 124.33 3fie n LEU 78 Ca 0.05 -0.53 0.02 0.00 -1.11 0.00 0.00 56.01 54.44 3fie n LEU 78 Cb 0.41 -2.90 -0.03 0.00 0.53 0.00 0.00 43.42 41.43 3fie n LEU 78 CO 0.59 0.51 -0.17 0.35 -1.11 0.00 0.00 177.39 177.56 3fie n THR 79 N -4.47 0.00 -4.08 1.96 -2.24 -1.21 -4.53 114.28 99.71 3fie n THR 79 Ca -0.10 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 3fie n THR 79 Cb 0.60 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.73 4.42 0.56 4.28 -4.23 -1.26 -4.99 115.64 112.68 3fie s THR 80 Ca 0.01 -0.93 0.26 0.00 -1.18 0.00 0.00 61.69 59.85 3fie s THR 80 Cb 0.04 -3.17 0.37 0.00 1.34 0.00 0.00 72.50 71.08 3fie s THR 80 CO 0.21 0.04 2.03 0.44 -0.54 0.00 0.00 174.62 176.79 3fie h ASP 81 N 2.99 0.00 -0.30 3.99 5.19 -1.99 -1.66 116.42 124.65 3fie h ASP 81 Ca -0.47 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.85 3fie h ASP 81 Cb 1.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3fie h ASP 81 CO 0.64 0.00 -0.16 0.00 -3.12 0.00 0.00 179.24 176.59 3fie h ALA 82 N 1.72 0.42 -0.24 3.45 0.00 -1.99 -0.88 119.26 121.74 3fie h ALA 82 Ca 0.17 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3fie h ALA 82 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3fie h ALA 82 CO -0.00 0.33 -0.36 0.93 0.00 0.00 0.00 179.25 180.16 3fie h GLU 83 N 0.39 0.53 -0.17 0.00 5.08 -1.73 -1.70 114.58 116.99 3fie h GLU 83 Ca 0.06 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 3fie h GLU 83 Cb 0.70 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3fie h GLU 83 CO 0.05 0.81 -0.31 0.87 -1.00 0.00 0.00 179.01 179.44 3fie h LYS 84 N 0.45 0.33 -0.33 2.33 1.57 -1.31 0.31 116.57 119.93 3fie h LYS 84 Ca 0.05 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 3fie h LYS 84 Cb 0.83 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3fie h LYS 84 CO 0.07 0.61 -0.43 0.22 -0.57 0.00 0.00 179.45 179.35 3fie h ASP 85 N 0.29 0.94 -0.45 0.86 3.58 -0.84 -0.41 116.42 120.39 3fie h ASP 85 Ca 0.04 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 56.93 3fie h ASP 85 Cb 0.69 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3fie h ASP 85 CO 0.05 1.25 0.04 -0.09 -2.88 0.00 0.00 179.24 177.62 3fie h ARG 86 N 0.65 0.77 -0.30 0.28 2.43 -0.88 -1.82 114.38 115.52 3fie h ARG 86 Ca 0.04 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 3fie h ARG 86 Cb 1.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3fie h ARG 86 CO 0.10 0.81 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.43 3fie h TYR 87 N 0.63 0.60 -0.49 2.20 3.20 -0.33 -0.33 116.97 122.44 3fie h TYR 87 Ca 0.13 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3fie h TYR 87 Cb 0.43 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3fie h TYR 87 CO 0.03 0.69 0.26 1.25 -1.64 0.00 0.00 178.16 178.76 3fie h LEU 88 N 0.33 0.39 -0.52 2.82 5.85 -1.04 -1.54 115.31 121.61 3fie h LEU 88 Ca 0.08 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3fie h LEU 88 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3fie h LEU 88 CO 0.02 0.27 -0.39 0.11 -0.34 0.00 0.00 178.44 178.12 3fie h LYS 89 N 0.52 0.00 -0.06 1.25 1.57 -1.21 -2.33 116.57 116.31 3fie h LYS 89 Ca 0.21 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 3fie h LYS 89 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.42 3fie h LYS 89 CO -0.14 0.39 -0.61 1.15 -0.57 0.00 0.00 179.45 179.67 3fie h THR 90 N 0.00 1.37 -0.56 -0.16 2.02 -0.77 -2.53 112.91 112.28 3fie h THR 90 Ca -0.00 -1.96 -0.06 0.00 0.77 0.00 0.00 66.41 65.15 3fie h THR 90 Cb 1.09 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 3fie h THR 90 CO 0.05 0.59 0.11 0.74 0.37 0.00 0.00 175.52 177.38 3fie h THR 91 N 0.09 1.25 -0.78 3.16 2.02 -1.30 -1.65 112.91 115.71 3fie h THR 91 Ca -0.06 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3fie h THR 91 Cb 1.27 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3fie h THR 91 CO 0.12 0.34 0.37 0.40 0.37 0.00 0.00 175.52 177.13 3fie h ILE 92 N 0.80 1.25 -0.71 3.11 2.04 -1.46 -0.98 117.51 121.56 3fie h ILE 92 Ca 0.17 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 3fie h ILE 92 Cb 0.38 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3fie h ILE 92 CO 0.01 0.30 0.27 0.50 0.00 0.00 0.00 178.15 179.22 3fie h LYS 93 N 1.11 1.05 0.00 2.37 3.64 -1.17 -0.44 116.57 123.13 3fie h LYS 93 Ca 0.27 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3fie h LYS 93 Cb 0.12 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3fie h LYS 93 CO -0.03 0.87 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.51 3fie h LEU 94 N 1.03 0.00 -0.33 5.20 3.38 -0.66 -0.32 115.31 123.60 3fie h LEU 94 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 3fie h LEU 94 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fie h LEU 94 CO -0.02 0.44 -0.57 -0.26 0.09 0.00 0.00 178.44 178.12 3fie h PHE 95 N 0.00 1.01 -0.52 1.13 0.04 -0.55 -2.14 116.94 115.91 3fie h PHE 95 Ca -0.00 -0.37 -0.05 0.00 2.80 0.00 0.00 57.97 60.34 3fie h PHE 95 Cb 0.79 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 3fie h PHE 95 CO 0.00 1.18 0.10 0.87 -0.60 0.00 0.00 178.31 179.86 3fie h LYS 96 N 0.61 0.81 -0.12 1.51 1.57 -0.60 -0.65 116.57 119.70 3fie h LYS 96 Ca 0.01 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3fie h LYS 96 Cb 1.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3fie h LYS 96 CO 0.12 0.75 0.04 -0.09 -0.57 0.00 0.00 179.45 179.70 3fie h ARG 97 N 0.78 0.18 -0.45 3.15 2.43 -0.96 0.40 114.38 119.91 3fie h ARG 97 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3fie h ARG 97 Cb 0.32 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3fie h ARG 97 CO 0.00 0.31 0.30 0.82 -1.51 0.00 0.00 179.97 179.89 3fie h ILE 98 N 0.02 1.12 0.00 1.20 2.04 -1.00 -1.02 117.51 119.86 3fie h ILE 98 Ca 0.04 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3fie h ILE 98 Cb 0.20 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3fie h ILE 98 CO -0.00 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 175.06 3fie n ASN 99 N -4.47 0.68 0.00 1.72 5.15 -0.29 -2.86 115.26 115.20 3fie n ASN 99 Ca 0.04 0.58 0.12 0.00 -0.60 0.00 0.00 54.58 54.73 3fie n ASN 99 Cb 0.06 -0.76 0.57 0.00 -0.53 0.00 0.00 39.78 39.11 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 -2.16 0.00 -4.21 1.20 3.41 0.08 -4.52 113.62 107.42 3fie n SER 100 Ca 0.05 0.37 -0.30 0.00 -0.26 0.00 0.00 58.87 58.74 3fie n SER 100 Cb 0.37 -0.45 -0.16 0.00 -0.26 0.00 0.00 64.21 63.71 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 -2.91 2.73 0.39 4.04 3.84 -1.23 -5.03 114.94 116.77 3fie s ASN 101 Ca 0.15 -0.46 0.20 0.00 0.21 0.00 0.00 52.86 52.96 3fie s ASN 101 Cb 0.17 -0.80 1.16 0.00 -0.55 0.00 0.00 41.25 41.23 3fie s ASN 101 CO 0.45 0.20 1.71 -0.65 -2.79 0.00 0.00 177.10 176.02 3fie h PRO 102 N 6.19 0.31 -0.21 0.43 0.11 -1.87 0.15 132.00 137.10 3fie h PRO 102 Ca -0.31 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.60 3fie h PRO 102 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fie h PRO 102 CO 0.47 0.20 -0.59 0.00 -0.21 0.00 0.00 178.00 177.88 3fie h ALA 103 N 1.67 0.55 0.00 -0.75 0.00 -1.96 -2.55 119.26 116.22 3fie h ALA 103 Ca 0.68 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3fie h ALA 103 Cb 1.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 3fie h ALA 103 CO -0.40 0.69 -0.72 0.78 0.00 0.00 0.00 179.25 179.60 3fie h GLY 104 N 0.88 0.00 1.43 0.00 0.00 -1.28 -2.99 103.07 101.10 3fie h GLY 104 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3fie h GLY 104 CO 0.12 0.00 0.13 -2.09 0.00 0.00 0.00 176.54 174.70 3fie h GLU 105 N 0.00 0.73 -0.21 4.80 4.81 -0.62 -1.80 114.58 122.29 3fie h GLU 105 Ca -0.01 -0.13 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 3fie h GLU 105 Cb 1.48 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3fie h GLU 105 CO 0.09 0.65 -0.64 0.28 -0.73 0.00 0.00 179.01 178.66 3fie h VAL 106 N 0.71 1.29 -0.51 0.32 2.07 -1.38 -2.48 116.25 116.28 3fie h VAL 106 Ca 0.16 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.84 3fie h VAL 106 Cb 0.24 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3fie h VAL 106 CO -0.01 0.59 0.31 0.25 0.02 0.00 0.00 177.57 178.73 3fie h LEU 107 N 0.55 0.50 -0.87 2.57 5.85 -1.27 -0.94 115.31 121.70 3fie h LEU 107 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3fie h LEU 107 Cb 1.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3fie h LEU 107 CO 0.13 0.35 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.32 3fie h LEU 108 N 0.61 0.61 0.18 2.25 3.38 -1.33 -0.86 115.31 120.15 3fie h LEU 108 Ca 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3fie h LEU 108 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3fie h LEU 108 CO -0.09 0.81 -0.09 1.56 0.09 0.00 0.00 178.44 180.73 3fie h GLN 109 N 0.55 -0.24 -0.65 1.13 4.20 -1.00 -0.55 115.11 118.55 3fie h GLN 109 Ca 0.09 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.88 3fie h GLN 109 Cb 0.64 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 3fie h GLN 109 CO 0.05 -0.09 0.34 0.93 -0.67 0.00 0.00 178.83 179.39 3fie h GLU 110 N -0.32 0.61 -0.84 1.46 4.39 -1.02 -0.10 114.58 118.76 3fie h GLU 110 Ca -0.03 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.64 3fie h GLU 110 Cb 0.25 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3fie h GLU 110 CO 0.04 0.41 0.55 0.82 -1.16 0.00 0.00 179.01 179.66 3fie h ILE 111 N 0.63 1.22 -0.32 3.13 1.08 -0.96 -0.17 117.51 122.12 3fie h ILE 111 Ca 0.30 -0.42 -0.15 0.00 -0.39 0.00 0.00 64.86 64.20 3fie h ILE 111 Cb 0.22 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 3fie h ILE 111 CO -0.20 0.22 -0.39 -1.28 -0.69 0.00 0.00 178.15 175.81 3fie h SER 112 N 1.14 0.80 1.67 1.72 0.87 0.02 -3.18 113.55 116.60 3fie h SER 112 Ca 0.31 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3fie h SER 112 Cb -0.12 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.62 3fie h SER 112 CO -0.06 1.09 -0.16 1.88 -0.53 0.00 0.00 176.83 179.05 3fie h TYR 113 N 0.62 0.00 0.00 2.24 0.05 -0.83 -3.42 116.97 115.63 3fie h TYR 113 Ca 0.05 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.42 3fie h TYR 113 Cb 0.94 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.70 3fie h TYR 113 CO 0.05 0.00 2.48 0.00 -1.05 0.00 0.00 178.16 179.64 3fie n ALA 114 N -2.01 4.28 -2.28 3.88 0.00 -0.10 -4.94 120.51 119.34 3fie n ALA 114 Ca 0.04 -2.14 -0.42 0.00 0.00 0.00 0.00 53.44 50.92 3fie n ALA 114 Cb 0.50 -3.09 -0.03 0.00 0.00 0.00 0.00 19.45 16.83 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 3.77 4.47 0.69 0.00 1.02 -1.26 -4.86 119.74 123.56 3fie s LYS 115 Ca 0.41 1.79 -0.16 0.00 0.02 0.00 0.00 55.97 58.03 3fie s LYS 115 Cb 0.10 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 34.12 3fie s LYS 115 CO -0.00 -0.18 1.18 -2.14 -0.92 0.00 0.00 175.35 173.29 3fie s PRO 116 N 0.57 2.45 0.32 -1.68 0.02 -1.26 -4.94 135.00 130.49 3fie s PRO 116 Ca 0.56 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 3fie s PRO 116 Cb -0.30 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 3fie s PRO 116 CO 0.32 -1.58 1.30 -0.47 -0.33 0.00 0.00 177.00 176.24 3fie s TYR 117 N -2.01 3.09 -1.41 6.54 5.04 -0.57 -4.87 117.35 123.14 3fie s TYR 117 Ca 0.73 1.41 -0.14 0.00 -2.44 0.00 0.00 57.07 56.63 3fie s TYR 117 Cb -0.27 -3.66 0.06 0.00 0.35 0.00 0.00 41.96 38.44 3fie s TYR 117 CO 0.42 -1.81 2.11 1.28 -1.34 0.00 0.00 175.55 176.21 3fie n LEU 118 N 0.93 6.59 0.00 6.97 4.77 -1.26 -4.74 117.00 130.26 3fie n LEU 118 Ca 0.00 -4.19 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 3fie n LEU 118 Cb 0.42 -1.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3fie n LEU 118 CO 0.59 1.03 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 3fie n GLY 119 N 4.07 0.85 0.00 -0.72 0.00 -1.25 -0.19 105.19 107.95 3fie n GLY 119 Ca 0.50 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 0.00 -0.16 1.61 0.23 -1.26 -4.94 115.26 110.73 3fie n ASN 120 Ca 0.00 -0.77 0.15 0.00 -0.53 0.00 0.00 54.58 53.43 3fie n ASN 120 Cb 0.00 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.20 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 0.41 -0.71 -3.83 4.81 -1.98 -2.36 114.58 110.92 3fie h GLU 121 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3fie h GLU 121 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3fie h GLU 121 CO 0.00 0.27 0.00 0.72 -0.73 0.00 0.00 179.01 179.27 3fie n HIS 122 N -4.48 1.22 -4.04 0.92 8.25 -1.26 -4.96 115.22 110.87 3fie n HIS 122 Ca 0.14 -0.55 -0.22 0.00 -0.26 0.00 0.00 57.72 56.84 3fie n HIS 122 Cb 0.51 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.36 4.35 0.10 1.59 -4.23 -0.89 -5.05 115.64 110.15 3fie s THR 123 Ca 0.51 -1.36 -0.36 0.00 -1.18 0.00 0.00 61.69 59.30 3fie s THR 123 Cb 0.29 -3.40 -0.17 0.00 1.34 0.00 0.00 72.50 70.57 3fie s THR 123 CO 0.30 -0.31 1.33 -2.65 -0.54 0.00 0.00 174.62 172.75 3fie n PRO 124 N -1.24 1.18 0.00 3.99 -0.02 -1.26 -4.78 135.00 132.87 3fie n PRO 124 Ca -0.07 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 3fie n PRO 124 Cb 0.58 -2.06 0.14 0.00 -0.02 0.00 0.00 33.50 32.14 3fie n PRO 124 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3fie n ILE 125 N 2.44 1.29 -0.27 4.25 5.41 -1.26 -2.48 119.36 128.74 3fie n ILE 125 Ca 0.18 0.32 0.03 0.00 1.00 0.00 0.00 62.75 64.28 3fie n ILE 125 Cb 0.20 -1.22 0.07 0.00 -0.71 0.00 0.00 39.64 37.98 3fie n ILE 125 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3fie n ASN 126 N -1.40 2.35 -3.92 4.38 6.94 -1.26 -4.40 115.26 117.94 3fie n ASN 126 Ca 0.02 -2.24 -0.12 0.00 -0.02 0.00 0.00 54.58 52.22 3fie n ASN 126 Cb 0.06 -0.15 -0.08 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.42 1.45 -0.33 -3.83 -1.05 -1.04 -1.00 118.70 111.49 3fie s GLU 127 Ca 0.12 -1.60 -0.12 0.00 -0.15 0.00 0.00 54.97 53.23 3fie s GLU 127 Cb 0.09 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 3fie s GLU 127 CO 0.04 -0.54 0.22 -0.06 0.95 0.00 0.00 175.26 175.87 3fie s PHE 128 N -3.89 3.22 -0.83 4.83 0.08 -0.88 -4.82 117.98 115.69 3fie s PHE 128 Ca 0.34 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.18 3fie s PHE 128 Cb 0.04 -2.44 0.23 0.00 -0.57 0.00 0.00 43.02 40.27 3fie s PHE 128 CO 0.14 -0.35 0.80 1.58 -0.10 0.00 0.00 175.22 177.29 3fie n HIS 129 N 5.08 3.71 0.11 0.36 -0.00 0.74 -4.50 115.22 120.71 3fie n HIS 129 Ca -0.13 -4.01 -0.03 0.00 0.46 0.00 0.00 57.72 54.01 3fie n HIS 129 Cb 0.50 -0.92 0.03 0.00 -0.12 0.00 0.00 29.99 29.48 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 5.41 0.00 -5.87 1.57 0.13 -1.95 -3.33 132.00 127.96 3fie h PRO 130 Ca 0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.74 3fie h PRO 130 Cb 0.74 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.80 3fie h PRO 130 CO 0.88 0.75 1.65 0.08 -0.23 0.00 0.00 178.00 181.12 3fie s VAL 131 N -3.09 3.90 -0.02 1.56 1.01 -1.26 -3.42 120.40 119.08 3fie s VAL 131 Ca 0.01 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 3fie s VAL 131 Cb 0.10 -4.93 0.09 0.00 0.00 0.00 0.00 36.38 31.64 3fie s VAL 131 CO 0.78 -1.73 0.75 0.28 0.00 0.00 0.00 175.10 175.18 3fie s THR 132 N 6.09 0.00 0.57 3.92 -1.32 -1.26 -5.01 115.64 118.62 3fie s THR 132 Ca 0.55 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.34 3fie s THR 132 Cb 0.01 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.43 3fie s THR 132 CO 0.02 0.00 1.84 -0.09 -2.21 0.00 0.00 174.62 174.18 3fie h ARG 133 N 2.54 0.00 0.00 7.08 2.43 -1.88 -1.09 114.38 123.46 3fie h ARG 133 Ca -0.26 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3fie h ARG 133 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3fie h ARG 133 CO 0.36 0.00 -0.02 1.79 -1.51 0.00 0.00 179.97 180.59 3fie h THR 134 N 0.00 0.04 0.00 0.20 1.35 -1.88 -3.39 112.91 109.24 3fie h THR 134 Ca 0.34 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3fie h THR 134 Cb 1.61 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 3fie h THR 134 CO -0.00 0.02 -0.91 0.35 -0.25 0.00 0.00 175.52 174.73 3fie n THR 135 N -3.11 0.00 -4.26 6.82 -2.24 -0.64 -0.46 114.28 110.39 3fie n THR 135 Ca 0.04 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 3fie n THR 135 Cb 0.53 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.90 1.43 0.12 3.42 1.04 -0.51 -3.52 113.70 113.78 3fie s SER 136 Ca 0.00 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.33 3fie s SER 136 Cb 0.00 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3fie s SER 136 CO 0.00 -0.53 -0.16 0.68 0.98 0.00 0.00 173.24 174.21 3fie s VAL 137 N -3.56 1.48 0.17 5.02 -7.23 -0.62 -4.40 120.40 111.26 3fie s VAL 137 Ca 0.24 -1.65 -0.28 0.00 -1.81 0.00 0.00 61.98 58.49 3fie s VAL 137 Cb 0.06 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.40 3fie s VAL 137 CO 0.05 -0.29 0.86 0.20 -0.31 0.00 0.00 175.10 175.61 3fie s ASN 138 N -2.26 7.47 0.24 4.85 0.01 -1.26 -2.45 114.94 121.54 3fie s ASN 138 Ca 0.08 1.75 0.02 0.00 -0.71 0.00 0.00 52.86 54.00 3fie s ASN 138 Cb -0.07 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 3fie s ASN 138 CO 0.04 0.12 0.04 0.27 -1.51 0.00 0.00 177.10 176.06 3fie s ILE 139 N -0.83 0.78 -0.06 0.60 -4.36 -0.48 -0.59 121.20 116.26 3fie s ILE 139 Ca 0.40 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.78 3fie s ILE 139 Cb -0.24 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.05 3fie s ILE 139 CO 0.28 -0.20 -0.01 -0.75 0.24 0.00 0.00 174.94 174.50 3fie s LYS 140 N -3.95 0.60 0.77 0.37 2.20 0.17 -2.26 119.74 117.64 3fie s LYS 140 Ca 0.32 0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 55.89 3fie s LYS 140 Cb 0.07 -0.84 0.10 0.00 -1.51 0.00 0.00 37.83 35.64 3fie s LYS 140 CO 0.10 -0.21 1.10 -1.54 -0.36 0.00 0.00 175.35 174.44 3fie s SER 141 N 1.52 4.41 0.50 1.43 1.04 -0.64 -3.30 113.70 118.66 3fie s SER 141 Ca -0.02 0.41 0.15 0.00 0.48 0.00 0.00 55.95 56.98 3fie s SER 141 Cb -0.13 -0.90 1.19 0.00 0.10 0.00 0.00 66.02 66.28 3fie s SER 141 CO -0.03 -1.89 2.11 0.77 0.98 0.00 0.00 173.24 175.18 3fie h SER 142 N -0.87 0.01 -0.79 7.02 4.64 -1.95 -1.04 113.55 120.56 3fie h SER 142 Ca -0.44 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.36 3fie h SER 142 Cb 1.30 -0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.15 3fie h SER 142 CO 0.56 0.06 0.67 0.35 -0.87 0.00 0.00 176.83 177.59 3fie n THR 143 N -4.48 3.20 -4.06 2.95 -2.24 -1.26 -4.88 114.28 103.51 3fie n THR 143 Ca -0.03 -2.26 -0.36 0.00 -2.27 0.00 0.00 64.05 59.14 3fie n THR 143 Cb 0.13 -1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 67.18 3fie n THR 143 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fie n ASN 144 N -0.49 -1.48 -4.68 3.42 5.15 -0.39 -4.92 115.26 111.87 3fie n ASN 144 Ca 0.50 -1.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.05 3fie n ASN 144 Cb 0.78 -1.34 -0.08 0.00 -0.53 0.00 0.00 39.78 38.61 3fie n ASN 144 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3fie s VAL 145 N -2.92 5.24 0.05 3.44 1.01 -1.25 -4.83 120.40 121.13 3fie s VAL 145 Ca 0.69 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3fie s VAL 145 Cb -0.40 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 3fie s VAL 145 CO 0.86 0.29 0.67 -0.54 0.00 0.00 0.00 175.10 176.38 3fie s LYS 146 N 1.10 4.39 0.00 2.72 1.02 -1.26 -1.62 119.74 126.09 3fie s LYS 146 Ca 0.17 0.90 0.00 0.00 0.02 0.00 0.00 55.97 57.07 3fie s LYS 146 Cb -0.14 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3fie s LYS 146 CO 0.07 0.43 0.00 -1.13 -0.92 0.00 0.00 175.35 173.80 3fie n SER 147 N 2.35 0.00 -3.89 2.83 3.41 -0.96 -5.02 113.62 112.34 3fie n SER 147 Ca -0.06 -0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 57.83 3fie n SER 147 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3fie n SER 147 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3fie s SER 148 N 0.07 0.09 0.13 4.04 0.15 -1.26 -1.38 113.70 115.54 3fie s SER 148 Ca 0.00 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.32 3fie s SER 148 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 3fie s SER 148 CO 0.00 -0.44 -0.05 0.27 1.20 0.00 0.00 173.24 174.23 3fie s ILE 149 N -1.94 0.75 0.19 6.45 -4.36 -1.03 -4.97 121.20 116.29 3fie s ILE 149 Ca -0.10 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.37 3fie s ILE 149 Cb -0.05 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 3fie s ILE 149 CO -0.01 -0.73 0.19 0.27 0.24 0.00 0.00 174.94 174.90 3fie s ILE 150 N -3.60 4.66 0.33 8.37 -4.36 -1.26 -1.58 121.20 123.76 3fie s ILE 150 Ca 0.16 -1.08 -0.18 0.00 -0.26 0.00 0.00 60.65 59.29 3fie s ILE 150 Cb 0.05 -3.43 0.03 0.00 1.25 0.00 0.00 42.46 40.37 3fie s ILE 150 CO -0.01 -0.17 0.74 -1.48 0.24 0.00 0.00 174.94 174.26 3fie s LEU 151 N -3.34 -0.12 -0.20 0.37 0.05 -1.23 -4.96 118.68 109.24 3fie s LEU 151 Ca 0.32 -0.85 -0.07 0.00 0.05 0.00 0.00 54.13 53.58 3fie s LEU 151 Cb -0.10 2.75 -0.10 0.00 -2.05 0.00 0.00 46.19 46.70 3fie s LEU 151 CO 0.25 -1.49 -0.24 0.59 -0.55 0.00 0.00 176.35 174.91 3fie n ASN 152 N -0.87 1.75 -3.98 1.48 3.02 -0.23 -4.68 115.26 111.75 3fie n ASN 152 Ca -0.06 0.15 -0.20 0.00 -0.03 0.00 0.00 54.58 54.44 3fie n ASN 152 Cb 0.59 -0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 39.10 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 -6.82 1.77 -0.13 3.41 2.96 -0.16 -1.64 118.68 118.07 3fie s LEU 153 Ca -0.28 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3fie s LEU 153 Cb 0.10 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.30 3fie s LEU 153 CO 0.38 0.05 -0.19 -0.22 -1.32 0.00 0.00 176.35 175.06 3fie s LEU 154 N 0.23 1.95 -0.16 -0.68 2.96 -0.66 -0.79 118.68 121.52 3fie s LEU 154 Ca -0.03 -0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 3fie s LEU 154 Cb -0.08 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.25 3fie s LEU 154 CO 0.00 0.05 0.14 -0.69 -1.32 0.00 0.00 176.35 174.53 3fie s VAL 155 N 0.93 5.45 0.18 1.68 1.01 0.07 -1.15 120.40 128.58 3fie s VAL 155 Ca -0.06 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.21 3fie s VAL 155 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3fie s VAL 155 CO -0.03 0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 174.66 3fie s LEU 156 N -0.27 2.46 1.07 3.92 1.43 -0.05 -1.41 118.68 125.83 3fie s LEU 156 Ca 0.11 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 3fie s LEU 156 Cb -0.11 -0.82 0.23 0.00 0.03 0.00 0.00 46.19 45.52 3fie s LEU 156 CO 0.01 -0.05 1.20 -0.83 0.23 0.00 0.00 176.35 176.91 3fie s GLY 157 N -2.81 1.66 0.39 -3.19 0.00 0.93 -1.60 107.32 102.71 3fie s GLY 157 Ca 0.17 -1.00 -0.23 0.00 0.00 0.00 0.00 44.72 43.66 3fie s GLY 157 CO 0.07 -0.20 0.56 0.00 0.00 0.00 0.00 173.10 173.53 3fie n ALA 158 N -4.23 -1.59 -1.41 3.20 0.00 -1.25 -2.12 120.51 113.13 3fie n ALA 158 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3fie n ALA 158 Cb 0.59 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.78 0.84 0.11 0.00 0.00 -1.26 -1.15 105.19 105.50 3fie n GLY 159 Ca 0.12 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 3fie n GLY 159 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fie h PRO 160 N 0.00 0.10 -5.48 1.61 0.11 -1.86 -3.35 132.00 123.13 3fie h PRO 160 Ca 0.00 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 3fie h PRO 160 Cb 0.00 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 30.95 3fie h PRO 160 CO 0.00 0.06 0.58 0.34 -0.21 0.00 0.00 178.00 178.77 3fie s ASP 161 N -5.26 6.19 0.58 -2.05 2.15 -1.26 -4.42 116.67 112.59 3fie s ASP 161 Ca -0.13 -1.00 0.27 0.00 0.43 0.00 0.00 52.55 52.12 3fie s ASP 161 Cb 0.10 -2.43 1.61 0.00 -0.30 0.00 0.00 42.92 41.90 3fie s ASP 161 CO 0.69 -1.45 2.10 0.40 -0.17 0.00 0.00 175.17 176.74 3fie h ILE 162 N 5.98 0.55 0.00 4.11 2.04 -1.43 -1.36 117.51 127.40 3fie h ILE 162 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3fie h ILE 162 Cb 1.07 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3fie h ILE 162 CO 1.19 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 179.08 3fie h PHE 163 N 0.00 0.00 -3.75 1.37 0.04 -1.91 -3.44 116.94 109.26 3fie h PHE 163 Ca 0.09 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.23 3fie h PHE 163 Cb 0.47 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.47 3fie h PHE 163 CO 0.00 0.00 -0.29 -2.00 -0.60 0.00 0.00 178.31 175.42 3fie s GLU 164 N -3.32 3.93 0.14 1.51 2.12 -0.51 -4.98 118.70 117.59 3fie s GLU 164 Ca 0.05 -0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 3fie s GLU 164 Cb 0.10 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 3fie s GLU 164 CO 0.47 -0.30 0.31 -0.80 -0.54 0.00 0.00 175.26 174.40 3fie s ASN 165 N 1.68 6.38 0.33 -1.70 0.01 -1.26 -4.69 114.94 115.68 3fie s ASN 165 Ca 0.13 0.32 -0.18 0.00 -0.71 0.00 0.00 52.86 52.42 3fie s ASN 165 Cb -0.16 -1.98 0.05 0.00 0.41 0.00 0.00 41.25 39.58 3fie s ASN 165 CO 0.10 0.06 0.83 -0.94 -1.51 0.00 0.00 177.10 175.64 3fie s SER 166 N -2.91 -0.05 -0.24 -1.22 1.04 0.18 -4.97 113.70 105.54 3fie s SER 166 Ca 0.37 -0.95 -0.09 0.00 0.48 0.00 0.00 55.95 55.75 3fie s SER 166 Cb -0.12 0.76 0.10 0.00 0.10 0.00 0.00 66.02 66.86 3fie s SER 166 CO 0.28 -1.49 0.53 -0.55 0.98 0.00 0.00 173.24 172.99 3fie s SER 167 N -3.09 -0.68 -0.06 7.02 0.15 -1.26 -1.46 113.70 114.32 3fie s SER 167 Ca 0.16 1.24 -0.15 0.00 0.70 0.00 0.00 55.95 57.90 3fie s SER 167 Cb -0.05 1.60 0.03 0.00 -1.71 0.00 0.00 66.02 65.89 3fie s SER 167 CO 0.09 -0.22 0.34 -0.72 1.20 0.00 0.00 173.24 173.93 3fie s TYR 168 N 2.42 -0.28 0.75 3.44 1.13 -0.82 -4.95 117.35 119.03 3fie s TYR 168 Ca -0.05 0.56 -0.11 0.00 -1.41 0.00 0.00 57.07 56.05 3fie s TYR 168 Cb -0.11 0.12 0.04 0.00 -1.10 0.00 0.00 41.96 40.91 3fie s TYR 168 CO -0.16 -0.32 1.09 -1.25 -2.51 0.00 0.00 175.55 172.40 3fie s PRO 169 N -0.76 2.52 0.07 -3.49 0.04 -1.26 -0.22 135.00 131.89 3fie s PRO 169 Ca -0.08 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 61.38 3fie s PRO 169 Cb -0.04 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3fie s PRO 169 CO 0.03 -1.32 0.64 0.08 0.04 0.00 0.00 177.00 176.48 3fie s VAL 170 N -3.20 4.70 0.44 -0.36 1.01 0.32 -4.80 120.40 118.51 3fie s VAL 170 Ca 0.59 1.38 0.06 0.00 0.00 0.00 0.00 61.98 64.02 3fie s VAL 170 Cb -0.13 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3fie s VAL 170 CO 0.54 0.49 0.19 -0.13 0.00 0.00 0.00 175.10 176.19 3fie s ARG 171 N -0.76 2.22 -0.40 2.72 0.52 -1.26 -4.66 118.95 117.33 3fie s ARG 171 Ca 0.32 -1.93 -0.15 0.00 -0.52 0.00 0.00 55.73 53.45 3fie s ARG 171 Cb -0.20 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.33 3fie s ARG 171 CO 0.21 -0.21 0.34 0.21 0.02 0.00 0.00 175.30 175.87 3fie s LYS 172 N -3.95 3.14 -0.10 3.54 2.20 0.55 -4.71 119.74 120.42 3fie s LYS 172 Ca 0.37 -0.82 -0.26 0.00 -0.36 0.00 0.00 55.97 54.89 3fie s LYS 172 Cb 0.03 -3.93 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 3fie s LYS 172 CO 0.20 -0.72 0.85 -0.51 -0.36 0.00 0.00 175.35 174.81 3fie s LEU 173 N 1.87 4.26 0.49 5.43 1.43 -1.26 -1.06 118.68 129.83 3fie s LEU 173 Ca 0.08 1.32 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 3fie s LEU 173 Cb -0.18 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3fie s LEU 173 CO 0.11 -0.30 0.11 -0.04 0.23 0.00 0.00 176.35 176.46 3fie s MET 174 N 1.55 2.18 0.00 1.70 -1.94 0.11 -4.99 119.30 117.92 3fie s MET 174 Ca 0.42 -2.21 0.00 0.00 -1.71 0.00 0.00 55.69 52.20 3fie s MET 174 Cb -0.18 -1.73 0.00 0.00 2.01 0.00 0.00 34.83 34.93 3fie s MET 174 CO 0.18 -0.34 0.33 -3.47 -0.01 0.00 0.00 175.02 171.70 3fie n ASP 175 N -1.33 0.00 -3.45 3.03 -0.08 -1.26 -3.24 116.55 110.21 3fie n ASP 175 Ca -0.11 0.33 -0.41 0.00 -1.51 0.00 0.00 54.79 53.09 3fie n ASP 175 Cb 0.66 -0.10 0.02 0.00 2.34 0.00 0.00 41.12 44.04 3fie n ASP 175 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3fie n SER 176 N -1.53 7.42 0.00 1.67 2.88 -1.26 -4.69 113.62 118.12 3fie n SER 176 Ca 0.00 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.84 3fie n SER 176 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 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 -0.11 0.65 3.77 0.46 0.00 -1.20 -4.99 105.19 103.76 3fie n GLY 177 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 2.78 -0.17 -0.02 0.00 -1.23 -4.89 107.32 101.79 3fie s GLY 178 Ca 0.00 0.93 -0.04 0.00 0.00 0.00 0.00 44.72 45.60 3fie s GLY 178 CO 0.00 1.39 0.08 0.14 0.00 0.00 0.00 173.10 174.70 3fie s VAL 179 N -1.54 0.05 -0.20 1.40 1.01 -1.26 -0.71 120.40 119.15 3fie s VAL 179 Ca 0.63 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 3fie s VAL 179 Cb -0.28 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3fie s VAL 179 CO 0.35 -0.26 0.34 -0.47 0.00 0.00 0.00 175.10 175.05 3fie s TYR 180 N 2.08 3.38 -0.39 5.22 5.04 -0.23 -4.94 117.35 127.50 3fie s TYR 180 Ca 0.01 0.54 -0.12 0.00 -2.44 0.00 0.00 57.07 55.06 3fie s TYR 180 Cb -0.16 -2.45 0.03 0.00 0.35 0.00 0.00 41.96 39.73 3fie s TYR 180 CO -0.09 0.05 0.25 0.34 -1.34 0.00 0.00 175.55 174.76 3fie s ASP 181 N 0.95 5.86 0.62 4.32 -1.08 -1.26 -0.33 116.67 125.74 3fie s ASP 181 Ca 0.17 -1.03 0.40 0.00 -0.52 0.00 0.00 52.55 51.56 3fie s ASP 181 Cb -0.14 -2.07 1.98 0.00 -1.46 0.00 0.00 42.92 41.23 3fie s ASP 181 CO 0.07 -0.43 2.21 -0.65 0.52 0.00 0.00 175.17 176.88 3fie h PRO 182 N 8.51 0.00 0.00 4.34 0.11 -1.86 -2.26 132.00 140.84 3fie h PRO 182 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3fie h PRO 182 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fie h PRO 182 CO 0.70 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.93 3fie n SER 183 N -3.11 0.00 -0.35 -2.05 7.64 -1.26 -0.15 113.62 114.34 3fie n SER 183 Ca -0.02 -0.03 0.12 0.00 1.01 0.00 0.00 58.87 59.95 3fie n SER 183 Cb 0.17 -0.32 0.20 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.32 1.46 -2.71 6.43 5.03 -0.85 -1.77 115.26 121.53 3fie n ASN 184 Ca 0.13 -1.16 -0.06 0.00 0.87 0.00 0.00 54.58 54.36 3fie n ASN 184 Cb 0.25 0.31 0.04 0.00 -1.02 0.00 0.00 39.78 39.36 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 -0.41 1.69 0.00 6.41 5.68 -1.23 -3.93 116.55 124.76 3fie n ASP 185 Ca 0.11 -2.48 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 3fie n ASP 185 Cb 0.40 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 3fie n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fie n GLY 186 N -0.32 2.15 0.16 6.12 0.00 0.93 -4.83 105.19 109.40 3fie n GLY 186 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.30 0.00 1.61 0.04 -1.79 -3.31 116.94 113.19 3fie h PHE 187 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fie h PHE 187 Cb 0.00 0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.26 3fie h PHE 187 CO 0.00 -0.18 0.00 0.41 -0.60 0.00 0.00 178.31 177.94 3fie n GLY 188 N -1.23 -1.72 3.81 -1.45 0.00 0.78 -1.52 105.19 103.87 3fie n GLY 188 Ca -0.08 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.21 -0.12 0.11 1.61 1.04 -1.26 -4.34 113.70 106.54 3fie s SER 189 Ca 0.00 -0.62 -0.34 0.00 0.48 0.00 0.00 55.95 55.47 3fie s SER 189 Cb 0.00 0.59 -0.14 0.00 0.10 0.00 0.00 66.02 66.57 3fie s SER 189 CO 0.00 -1.12 1.60 -0.38 0.98 0.00 0.00 173.24 174.32 3fie n ILE 190 N -0.53 0.09 -4.15 -1.02 2.08 0.40 -4.56 119.36 111.67 3fie n ILE 190 Ca -0.05 -0.02 -0.35 0.00 0.56 0.00 0.00 62.75 62.89 3fie n ILE 190 Cb 0.60 -1.50 -0.09 0.00 -0.75 0.00 0.00 39.64 37.90 3fie n ILE 190 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3fie s ASN 191 N 1.36 5.51 -0.30 4.38 3.84 -0.65 -0.52 114.94 128.57 3fie s ASN 191 Ca 0.82 0.13 -0.11 0.00 0.21 0.00 0.00 52.86 53.91 3fie s ASN 191 Cb -0.72 -1.81 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 3fie s ASN 191 CO 0.41 0.27 0.19 -0.63 -2.79 0.00 0.00 177.10 174.55 3fie s ILE 192 N -0.21 5.11 -0.24 -5.21 -1.09 0.69 -1.66 121.20 118.59 3fie s ILE 192 Ca 0.07 -0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.39 3fie s ILE 192 Cb -0.12 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 3fie s ILE 192 CO 0.02 0.17 0.01 -0.69 -1.23 0.00 0.00 174.94 173.22 3fie s VAL 193 N 1.72 3.79 -0.41 2.92 1.01 -0.30 -1.95 120.40 127.18 3fie s VAL 193 Ca 0.06 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 3fie s VAL 193 Cb -0.16 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3fie s VAL 193 CO 0.09 0.36 0.40 -0.89 0.00 0.00 0.00 175.10 175.07 3fie s THR 194 N 1.54 5.13 -0.10 3.92 2.01 -0.53 -0.88 115.64 126.73 3fie s THR 194 Ca 0.06 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3fie s THR 194 Cb -0.15 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 3fie s THR 194 CO -0.00 -0.35 -0.22 0.12 -0.69 0.00 0.00 174.62 173.47 3fie s PHE 195 N 2.03 2.59 -0.38 4.92 5.36 -0.63 -0.65 117.98 131.23 3fie s PHE 195 Ca 0.11 -0.96 0.01 0.00 -0.96 0.00 0.00 56.93 55.12 3fie s PHE 195 Cb -0.17 -1.72 0.13 0.00 -0.34 0.00 0.00 43.02 40.91 3fie s PHE 195 CO 0.13 -0.37 0.20 0.45 -1.46 0.00 0.00 175.22 174.16 3fie s SER 196 N 0.30 3.56 0.00 6.13 0.15 -1.26 -3.86 113.70 118.72 3fie s SER 196 Ca -0.17 -2.25 0.31 0.00 0.70 0.00 0.00 55.95 54.54 3fie s SER 196 Cb -0.17 -0.81 1.84 0.00 -1.71 0.00 0.00 66.02 65.17 3fie s SER 196 CO 0.08 -0.32 2.17 -0.81 1.20 0.00 0.00 173.24 175.56 3fie n PRO 197 N 4.02 0.97 0.07 5.44 -0.04 -1.26 -3.97 135.00 140.22 3fie n PRO 197 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 3fie n PRO 197 Cb 0.37 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.00 0.39 -5.53 0.54 4.39 -1.95 -3.43 114.58 108.99 3fie h GLU 198 Ca 0.00 -0.03 -0.44 0.00 0.34 0.00 0.00 59.36 59.23 3fie h GLU 198 Cb 0.00 -0.08 -0.16 0.00 -0.10 0.00 0.00 28.75 28.41 3fie h GLU 198 CO 0.00 0.30 -0.75 0.71 -1.16 0.00 0.00 179.01 178.11 3fie s TYR 199 N -5.27 1.60 0.01 4.33 2.02 -1.25 -1.15 117.35 117.62 3fie s TYR 199 Ca -0.07 -0.57 -0.08 0.00 -0.37 0.00 0.00 57.07 55.97 3fie s TYR 199 Cb 0.17 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 3fie s TYR 199 CO 0.72 0.27 0.15 -2.00 -1.57 0.00 0.00 175.55 173.12 3fie s GLU 200 N -3.27 0.52 0.67 -0.62 2.56 -0.89 -4.85 118.70 112.81 3fie s GLU 200 Ca 0.17 -0.41 -0.13 0.00 0.00 0.00 0.00 54.97 54.60 3fie s GLU 200 Cb -0.02 0.22 0.00 0.00 2.00 0.00 0.00 34.13 36.32 3fie s GLU 200 CO 0.05 -0.13 1.08 1.52 -0.56 0.00 0.00 175.26 177.22 3fie s TYR 201 N -1.50 2.84 0.28 5.30 -0.85 -1.26 -1.89 117.35 120.28 3fie s TYR 201 Ca -0.14 1.51 0.11 0.00 -0.52 0.00 0.00 57.07 58.03 3fie s TYR 201 Cb -0.07 -3.03 -0.05 0.00 0.38 0.00 0.00 41.96 39.19 3fie s TYR 201 CO 0.01 -1.42 -0.10 0.95 -1.52 0.00 0.00 175.55 173.48 3fie s THR 202 N -2.64 2.87 0.11 -3.49 -4.23 -0.62 -1.50 115.64 106.14 3fie s THR 202 Ca 0.63 -2.16 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 3fie s THR 202 Cb -0.17 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.15 3fie s THR 202 CO 0.46 -0.36 0.57 0.72 -0.54 0.00 0.00 174.62 175.47 3fie s PHE 203 N -2.44 -0.49 0.41 3.99 -0.12 -0.49 -4.09 117.98 114.75 3fie s PHE 203 Ca 0.31 0.38 0.08 0.00 -0.05 0.00 0.00 56.93 57.65 3fie s PHE 203 Cb -0.05 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 3fie s PHE 203 CO 0.17 -0.77 0.37 -0.80 -0.05 0.00 0.00 175.22 174.15 3fie s ASN 204 N -2.46 5.11 0.00 1.98 0.01 -1.26 -0.38 114.94 117.94 3fie s ASN 204 Ca -0.01 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 51.44 3fie s ASN 204 Cb -0.00 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 41.03 3fie s ASN 204 CO -0.08 -0.62 0.00 -0.67 -1.51 0.00 0.00 177.10 174.22 3fie n ASP 205 N -1.54 0.00 0.00 -1.22 4.64 -1.26 -4.95 116.55 112.22 3fie n ASP 205 Ca 0.03 -0.93 0.00 0.00 -1.38 0.00 0.00 54.79 52.51 3fie n ASP 205 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.69 3fie n ASP 205 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3fie n THR 214 N 0.00 0.00 -5.16 5.18 5.66 -1.26 -5.09 114.28 113.61 3fie n THR 214 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 3fie n THR 214 Cb 0.23 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.84 3fie n THR 214 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3fie s GLU 215 N 0.00 2.89 -0.04 1.09 2.02 -1.26 -5.13 118.70 118.27 3fie s GLU 215 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.16 3fie s GLU 215 Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 3fie s GLU 215 CO 0.00 0.18 -0.04 0.45 0.02 0.00 0.00 175.26 175.86 3fie s SER 216 N 0.34 4.83 0.13 -0.19 0.15 -1.26 -4.25 113.70 113.45 3fie s SER 216 Ca -0.18 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.51 3fie s SER 216 Cb -0.18 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.86 3fie s SER 216 CO 0.08 0.34 -0.13 -0.36 1.20 0.00 0.00 173.24 174.37 3fie s PHE 217 N -0.91 1.36 -0.08 3.44 0.08 0.49 -1.97 117.98 120.39 3fie s PHE 217 Ca 0.15 -0.60 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 3fie s PHE 217 Cb -0.11 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 3fie s PHE 217 CO 0.04 0.13 0.04 -1.50 -0.10 0.00 0.00 175.22 173.84 3fie s ILE 218 N -2.43 4.60 0.88 0.64 2.07 -0.42 -1.39 121.20 125.14 3fie s ILE 218 Ca 0.11 -0.20 -0.12 0.00 -1.41 0.00 0.00 60.65 59.03 3fie s ILE 218 Cb -0.03 -2.98 0.12 0.00 0.13 0.00 0.00 42.46 39.70 3fie s ILE 218 CO 0.03 0.56 1.10 0.00 -1.91 0.00 0.00 174.94 174.72 3fie s ALA 219 N -0.96 1.74 -0.33 1.50 0.00 -0.56 -4.82 121.76 118.32 3fie s ALA 219 Ca 0.15 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 3fie s ALA 219 Cb -0.12 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 3fie s ALA 219 CO 0.05 -2.20 0.32 0.34 0.00 0.00 0.00 175.76 174.27 3fie s ASP 220 N -3.69 6.15 0.62 0.00 -1.08 -1.26 -4.88 116.67 112.52 3fie s ASP 220 Ca 0.63 -0.18 0.29 0.00 -0.52 0.00 0.00 52.55 52.76 3fie s ASP 220 Cb -0.16 -2.18 1.55 0.00 -1.46 0.00 0.00 42.92 40.67 3fie s ASP 220 CO 0.55 -0.27 1.92 -0.65 0.52 0.00 0.00 175.17 177.25 3fie h PRO 221 N 8.42 0.00 -0.27 4.34 0.11 -1.96 0.28 132.00 142.92 3fie h PRO 221 Ca -0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 3fie h PRO 221 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fie h PRO 221 CO 0.66 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 178.08 3fie h ALA 222 N 1.42 0.41 -0.24 -0.75 0.00 -1.93 -1.45 119.26 116.73 3fie h ALA 222 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3fie h ALA 222 Cb 0.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3fie h ALA 222 CO -0.00 0.50 0.01 0.82 0.00 0.00 0.00 179.25 180.57 3fie h ILE 223 N 0.48 1.25 -0.86 0.00 1.08 -1.35 0.12 117.51 118.24 3fie h ILE 223 Ca 0.03 -0.88 0.07 0.00 -0.39 0.00 0.00 64.86 63.69 3fie h ILE 223 Cb 0.96 1.35 -0.06 0.00 -3.07 0.00 0.00 36.82 36.01 3fie h ILE 223 CO 0.09 0.28 0.56 0.28 -0.69 0.00 0.00 178.15 178.66 3fie h SER 224 N 0.20 0.84 -0.23 1.72 0.02 -1.42 0.30 113.55 114.99 3fie h SER 224 Ca 0.07 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3fie h SER 224 Cb 0.40 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3fie h SER 224 CO 0.01 0.54 -0.01 0.25 -1.14 0.00 0.00 176.83 176.48 3fie h LEU 225 N 0.95 0.40 -1.05 5.07 5.85 -0.83 -2.51 115.31 123.19 3fie h LEU 225 Ca 0.37 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3fie h LEU 225 Cb 0.22 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3fie h LEU 225 CO -0.13 0.63 0.64 0.00 -0.34 0.00 0.00 178.44 179.23 3fie h ALA 226 N 0.79 1.40 -0.40 1.25 0.00 0.46 -1.37 119.26 121.39 3fie h ALA 226 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3fie h ALA 226 Cb 0.43 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3fie h ALA 226 CO 0.01 0.48 0.11 1.25 0.00 0.00 0.00 179.25 181.10 3fie h HIS 227 N 1.18 0.19 -0.43 0.00 -0.00 -0.16 -0.95 115.15 114.99 3fie h HIS 227 Ca 0.40 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.70 3fie h HIS 227 Cb 0.09 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 3fie h HIS 227 CO -0.00 0.06 -0.12 0.93 -0.00 0.00 0.00 177.93 178.80 3fie h GLU 228 N 0.26 0.77 -0.48 5.26 4.39 -0.93 -2.81 114.58 121.03 3fie h GLU 228 Ca 0.19 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3fie h GLU 228 Cb 0.20 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3fie h GLU 228 CO -0.22 0.86 0.21 -0.07 -1.16 0.00 0.00 179.01 178.64 3fie h LEU 229 N 0.70 0.61 -0.50 1.33 3.38 -0.34 -1.73 115.31 118.76 3fie h LEU 229 Ca 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3fie h LEU 229 Cb 0.60 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3fie h LEU 229 CO 0.04 0.54 0.27 0.40 0.09 0.00 0.00 178.44 179.78 3fie h ILE 230 N 0.68 1.17 -0.60 1.22 2.04 -0.95 0.21 117.51 121.28 3fie h ILE 230 Ca 0.17 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3fie h ILE 230 Cb 0.11 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3fie h ILE 230 CO -0.02 0.18 0.34 0.45 0.00 0.00 0.00 178.15 179.11 3fie h HIS 231 N 0.66 0.81 -0.24 1.37 3.86 -1.38 -1.33 115.15 118.90 3fie h HIS 231 Ca 0.18 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 3fie h HIS 231 Cb 0.05 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3fie h HIS 231 CO -0.02 0.57 0.06 0.00 0.86 0.00 0.00 177.93 179.40 3fie h ALA 232 N 1.17 0.25 -0.78 2.45 0.00 -0.68 0.53 119.26 122.20 3fie h ALA 232 Ca 0.21 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.23 3fie h ALA 232 Cb 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3fie h ALA 232 CO -0.04 -0.36 0.47 1.25 0.00 0.00 0.00 179.25 180.57 3fie h LEU 233 N 0.16 0.71 -0.39 0.00 5.85 -0.22 0.29 115.31 121.70 3fie h LEU 233 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3fie h LEU 233 Cb 0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3fie h LEU 233 CO -0.13 0.45 0.22 0.45 -0.34 0.00 0.00 178.44 179.09 3fie h HIS 234 N 0.84 0.54 -0.40 1.25 3.86 -0.48 -2.33 115.15 118.44 3fie h HIS 234 Ca 0.35 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 3fie h HIS 234 Cb 0.20 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3fie h HIS 234 CO -0.05 0.41 0.22 0.78 0.86 0.00 0.00 177.93 180.15 3fie h GLY 235 N 0.51 0.60 1.74 2.45 0.00 0.32 -1.68 103.07 107.01 3fie h GLY 235 Ca 0.14 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3fie h GLY 235 CO -0.02 0.26 0.10 1.41 0.00 0.00 0.00 176.54 178.29 3fie h LEU 236 N 0.52 0.00 -1.86 3.11 3.38 -0.25 0.14 115.31 120.35 3fie h LEU 236 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3fie h LEU 236 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fie h LEU 236 CO -0.02 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.29 3fie n TYR 237 N -4.15 0.57 -2.91 1.13 4.02 -0.90 -4.29 117.16 110.63 3fie n TYR 237 Ca -0.00 -0.29 -0.22 0.00 -0.01 0.00 0.00 57.90 57.38 3fie n TYR 237 Cb 0.21 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.56 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 1.33 -0.49 1.42 2.72 0.00 0.49 -4.33 105.19 106.33 3fie n GLY 238 Ca 0.18 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.31 3.89 0.37 4.61 0.00 -0.66 -0.05 120.51 125.36 3fie n ALA 239 Ca -0.13 -2.46 0.12 0.00 0.00 0.00 0.00 53.44 50.96 3fie n ALA 239 Cb 0.63 -0.94 0.25 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.44 2.42 -0.00 0.00 1.74 -0.73 -4.55 116.66 115.11 3fie n ARG 240 Ca 0.31 -2.16 -0.12 0.00 -0.77 0.00 0.00 57.85 55.12 3fie n ARG 240 Cb 1.13 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 31.01 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 4.61 -0.61 0.38 -0.13 0.00 -1.68 -2.84 103.07 102.79 3fie h GLY 241 Ca 0.00 0.48 -0.36 0.00 0.00 0.00 0.00 47.33 47.45 3fie h GLY 241 CO 0.00 -0.22 -2.17 -0.62 0.00 0.00 0.00 176.54 173.53 3fie n VAL 242 N -5.43 1.60 -0.33 4.60 0.31 -1.26 -4.23 118.33 113.59 3fie n VAL 242 Ca -0.04 -0.68 0.04 0.00 -0.01 0.00 0.00 64.34 63.65 3fie n VAL 242 Cb 0.35 -1.32 0.22 0.00 -0.91 0.00 0.00 33.84 32.17 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 0.03 1.07 -0.09 2.52 1.35 -1.80 -1.45 112.91 114.53 3fie h THR 243 Ca -0.47 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 64.90 3fie h THR 243 Cb 2.02 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3fie h THR 243 CO 0.02 0.20 -0.39 0.22 -0.25 0.00 0.00 175.52 175.32 3fie h TYR 244 N 1.09 0.57 -0.79 4.73 3.20 -1.72 -1.27 116.97 122.77 3fie h TYR 244 Ca 0.41 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 3fie h TYR 244 Cb 0.19 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3fie h TYR 244 CO -0.00 0.99 0.38 0.87 -1.64 0.00 0.00 178.16 178.76 3fie h LYS 245 N -0.02 1.14 -6.60 1.82 1.57 -1.66 -3.44 116.57 109.38 3fie h LYS 245 Ca -0.02 -0.17 -0.52 0.00 -1.87 0.00 0.00 60.65 58.07 3fie h LYS 245 Cb 1.03 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3fie h LYS 245 CO 0.08 0.88 0.47 -1.21 -0.57 0.00 0.00 179.45 179.10 3fie s GLU 246 N -5.70 4.58 0.10 3.15 0.41 -0.58 -5.00 118.70 115.67 3fie s GLU 246 Ca -0.13 1.67 0.02 0.00 -0.41 0.00 0.00 54.97 56.13 3fie s GLU 246 Cb 0.15 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 3fie s GLU 246 CO 0.82 0.04 -0.07 0.95 -0.49 0.00 0.00 175.26 176.51 3fie s THR 247 N 0.06 0.73 -0.02 3.63 -4.23 -1.26 -1.09 115.64 113.46 3fie s THR 247 Ca 0.51 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 59.16 3fie s THR 247 Cb -0.28 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.00 3fie s THR 247 CO 0.33 -0.80 0.03 -0.63 -0.54 0.00 0.00 174.62 173.00 3fie s ILE 248 N -3.34 -0.03 -0.00 2.99 1.01 -0.18 -4.87 121.20 116.79 3fie s ILE 248 Ca 0.10 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 3fie s ILE 248 Cb 0.03 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.34 3fie s ILE 248 CO -0.04 0.10 1.34 -0.54 0.00 0.00 0.00 174.94 175.81 3fie s LYS 249 N 1.12 4.31 0.00 2.79 1.02 -1.26 -0.98 119.74 126.75 3fie s LYS 249 Ca -0.08 1.89 0.01 0.00 0.02 0.00 0.00 55.97 57.80 3fie s LYS 249 Cb -0.13 -3.54 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 3fie s LYS 249 CO -0.03 -0.52 -0.03 0.14 -0.92 0.00 0.00 175.35 173.99 3fie s VAL 250 N 2.20 0.25 0.48 3.17 -7.23 -1.13 -4.96 120.40 113.17 3fie s VAL 250 Ca 0.62 -0.25 -0.20 0.00 -1.81 0.00 0.00 61.98 60.33 3fie s VAL 250 Cb -0.30 -0.24 -0.09 0.00 0.56 0.00 0.00 36.38 36.31 3fie s VAL 250 CO 0.26 -0.01 1.03 -0.54 -0.31 0.00 0.00 175.10 175.53 3fie s LYS 251 N -0.28 3.87 0.16 4.82 1.02 -1.26 -3.09 119.74 124.99 3fie s LYS 251 Ca -0.01 1.33 -0.31 0.00 0.02 0.00 0.00 55.97 57.00 3fie s LYS 251 Cb -0.02 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.08 3fie s LYS 251 CO -0.00 -0.37 1.50 1.14 -0.92 0.00 0.00 175.35 176.70 3fie s GLN 252 N -3.21 4.25 0.21 1.68 -2.07 0.09 -4.80 119.66 115.82 3fie s GLN 252 Ca 0.66 2.27 -0.10 0.00 -1.82 0.00 0.00 55.36 56.38 3fie s GLN 252 Cb -0.15 -3.17 0.29 0.00 -1.09 0.00 0.00 33.01 28.88 3fie s GLN 252 CO 0.19 -0.53 1.72 0.00 -1.32 0.00 0.00 175.29 175.35 3fie h ALA 253 N 6.53 0.74 -1.01 2.60 0.00 -1.07 0.80 119.26 127.86 3fie h ALA 253 Ca -0.43 0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.06 3fie h ALA 253 Cb 1.21 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 3fie h ALA 253 CO 0.88 -0.26 1.32 -1.25 0.00 0.00 0.00 179.25 179.94 3fie s PRO 254 N -6.10 3.34 0.00 0.00 0.04 -1.26 -3.61 135.00 127.41 3fie s PRO 254 Ca -0.13 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 59.98 3fie s PRO 254 Cb 0.17 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.42 3fie s PRO 254 CO 0.74 -2.49 0.00 1.28 0.04 0.00 0.00 177.00 176.57 3fie n LEU 255 N 10.12 0.00 -3.67 -3.56 4.77 -1.24 -4.78 117.00 118.64 3fie n LEU 255 Ca 0.35 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.08 3fie n LEU 255 Cb 0.50 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 3fie n LEU 255 CO 0.65 0.00 0.20 0.23 -1.33 0.00 0.00 177.39 177.13 3fie n MET 256 N 0.00 -7.20 -0.04 3.23 2.81 0.28 -4.89 117.12 111.32 3fie n MET 256 Ca 0.00 0.77 -0.04 0.00 -1.81 0.00 0.00 57.70 56.62 3fie n MET 256 Cb 0.00 -5.77 -0.05 0.00 -0.71 0.00 0.00 33.22 26.69 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 -4.86 0.48 -3.61 2.02 -0.00 -1.26 -4.83 119.36 107.31 3fie n ILE 257 Ca -0.01 -0.28 -0.30 0.00 -0.00 0.00 0.00 62.75 62.17 3fie n ILE 257 Cb 0.56 -0.82 -0.04 0.00 -0.00 0.00 0.00 39.64 39.35 3fie n ILE 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3fie s ALA 258 N -2.17 3.76 0.31 -1.28 0.00 -1.26 -4.96 121.76 116.17 3fie s ALA 258 Ca -0.05 -0.62 0.09 0.00 0.00 0.00 0.00 51.96 51.38 3fie s ALA 258 Cb 0.02 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 3fie s ALA 258 CO 0.27 0.53 -0.09 -1.21 0.00 0.00 0.00 175.76 175.25 3fie s GLU 259 N -3.00 1.69 -0.30 0.00 2.02 -1.26 -0.73 118.70 117.13 3fie s GLU 259 Ca 0.41 -1.86 -0.16 0.00 0.02 0.00 0.00 54.97 53.38 3fie s GLU 259 Cb -0.12 -1.49 0.19 0.00 0.10 0.00 0.00 34.13 32.81 3fie s GLU 259 CO 0.27 0.12 1.15 0.21 0.02 0.00 0.00 175.26 177.03 3fie s LYS 260 N -3.64 0.17 0.23 1.61 2.20 -1.18 -4.95 119.74 114.18 3fie s LYS 260 Ca 0.31 0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.93 3fie s LYS 260 Cb 0.02 0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.33 3fie s LYS 260 CO 0.14 -0.04 1.34 -1.25 -0.36 0.00 0.00 175.35 175.18 3fie s PRO 261 N 1.43 4.36 -0.06 4.03 0.04 -1.26 -2.85 135.00 140.68 3fie s PRO 261 Ca -0.07 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.17 3fie s PRO 261 Cb -0.03 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 3fie s PRO 261 CO -0.13 -0.28 -0.23 0.42 0.04 0.00 0.00 177.00 176.82 3fie s ILE 262 N -0.14 2.23 0.38 0.56 -1.09 -0.15 -4.85 121.20 118.13 3fie s ILE 262 Ca 0.56 -1.00 -0.26 0.00 -2.23 0.00 0.00 60.65 57.71 3fie s ILE 262 Cb -0.38 -1.82 -0.09 0.00 -1.58 0.00 0.00 42.46 38.59 3fie s ILE 262 CO 0.42 0.57 1.21 -0.13 -1.23 0.00 0.00 174.94 175.78 3fie s ARG 263 N -0.19 4.12 0.42 2.79 0.52 -1.26 -1.01 118.95 124.35 3fie s ARG 263 Ca -0.02 1.96 0.09 0.00 -0.52 0.00 0.00 55.73 57.23 3fie s ARG 263 Cb -0.14 -2.78 0.93 0.00 0.52 0.00 0.00 34.95 33.48 3fie s ARG 263 CO 0.03 -0.30 2.05 -0.07 0.02 0.00 0.00 175.30 177.04 3fie h LEU 264 N 2.83 0.41 -1.05 2.53 -0.00 -0.91 -0.72 115.31 118.39 3fie h LEU 264 Ca -0.49 -0.01 0.17 0.00 -0.00 0.00 0.00 57.88 57.55 3fie h LEU 264 Cb 1.23 -0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 41.70 3fie h LEU 264 CO 0.63 0.29 0.62 -0.08 -0.00 0.00 0.00 178.44 179.90 3fie h GLU 265 N 0.48 0.79 -0.16 1.13 4.57 -1.49 0.14 114.58 120.03 3fie h GLU 265 Ca 0.16 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 3fie h GLU 265 Cb 0.05 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3fie h GLU 265 CO -0.04 0.52 -0.28 0.93 -1.18 0.00 0.00 179.01 178.96 3fie h GLU 266 N 0.81 0.47 -0.84 1.92 4.39 -1.43 -2.39 114.58 117.51 3fie h GLU 266 Ca 0.54 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 3fie h GLU 266 Cb 0.78 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 3fie h GLU 266 CO -0.32 0.89 0.40 0.74 -1.16 0.00 0.00 179.01 179.56 3fie h PHE 267 N 0.10 1.22 0.00 4.33 0.04 -1.07 -0.08 116.94 121.48 3fie h PHE 267 Ca 0.01 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 3fie h PHE 267 Cb 0.87 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3fie h PHE 267 CO 0.10 0.88 -0.49 -0.07 -0.60 0.00 0.00 178.31 178.13 3fie h LEU 268 N 1.20 0.00 0.13 1.54 3.38 -0.82 -1.13 115.31 119.62 3fie h LEU 268 Ca 0.29 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.94 3fie h LEU 268 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fie h LEU 268 CO -0.04 0.49 -1.58 0.74 0.09 0.00 0.00 178.44 178.14 3fie h THR 269 N 0.00 1.11 -0.04 0.22 2.02 -1.13 -3.37 112.91 111.72 3fie h THR 269 Ca -0.00 -2.73 -0.17 0.00 0.77 0.00 0.00 66.41 64.27 3fie h THR 269 Cb 0.91 2.76 0.01 0.00 -1.74 0.00 0.00 68.15 70.10 3fie h THR 269 CO 0.06 0.82 -0.66 0.15 0.37 0.00 0.00 175.52 176.27 3fie h PHE 270 N 0.08 0.73 0.00 3.16 3.57 -1.02 -0.46 116.94 122.99 3fie h PHE 270 Ca -0.27 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 60.86 3fie h PHE 270 Cb 2.04 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.68 3fie h PHE 270 CO 0.07 1.18 0.00 0.41 -2.23 0.00 0.00 178.31 177.74 3fie n GLY 271 N 0.95 -0.17 7.00 2.40 0.00 -0.43 -1.09 105.19 113.84 3fie n GLY 271 Ca -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.08 0.35 -0.02 0.00 -1.26 -3.55 105.19 100.79 3fie n GLY 272 Ca 0.00 -0.95 0.10 0.00 0.00 0.00 0.00 46.02 45.17 3fie n GLY 272 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3fie h GLN 273 N 0.00 0.48 -0.05 1.61 3.07 -1.96 -1.96 115.11 116.30 3fie h GLN 273 Ca 0.00 -0.03 0.01 0.00 0.09 0.00 0.00 58.65 58.72 3fie h GLN 273 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.45 3fie h GLN 273 CO 0.00 0.32 0.26 -0.44 0.09 0.00 0.00 178.83 179.05 3fie h ASP 274 N 0.49 0.00 0.00 0.06 3.32 -1.85 0.26 116.42 118.70 3fie h ASP 274 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3fie h ASP 274 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3fie h ASP 274 CO -0.08 0.00 0.02 0.18 -1.72 0.00 0.00 179.24 177.64 3fie n LEU 275 N -3.07 0.42 0.24 1.55 4.77 -0.74 -1.63 117.00 118.55 3fie n LEU 275 Ca -0.01 0.69 0.10 0.00 -0.03 0.00 0.00 56.01 56.76 3fie n LEU 275 Cb 0.33 -0.74 0.59 0.00 -2.33 0.00 0.00 43.42 41.27 3fie n LEU 275 CO 0.17 -0.83 0.89 0.78 -1.33 0.00 0.00 177.39 177.07 3fie h ASN 276 N 0.00 0.00 0.67 -1.43 4.21 -1.17 -2.99 115.58 114.87 3fie h ASN 276 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3fie h ASN 276 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3fie h ASN 276 CO 0.00 0.19 -0.22 2.30 -1.29 0.00 0.00 177.43 178.41 3fie n ILE 277 N -3.72 0.00 -2.87 2.81 -0.00 -0.65 -4.74 119.36 110.19 3fie n ILE 277 Ca -0.01 -0.01 -0.43 0.00 -0.00 0.00 0.00 62.75 62.30 3fie n ILE 277 Cb 0.31 -0.12 -0.04 0.00 -0.00 0.00 0.00 39.64 39.78 3fie n ILE 277 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 3fie s ILE 278 N -2.89 4.61 0.78 7.28 1.01 -1.13 -5.03 121.20 125.83 3fie s ILE 278 Ca 0.16 0.91 -0.10 0.00 0.00 0.00 0.00 60.65 61.61 3fie s ILE 278 Cb 0.19 -4.32 0.08 0.00 0.01 0.00 0.00 42.46 38.42 3fie s ILE 278 CO 0.58 -0.59 1.13 0.42 0.00 0.00 0.00 174.94 176.48 3fie s THR 279 N 3.40 2.10 0.08 2.92 -4.23 -1.26 -4.89 115.64 113.76 3fie s THR 279 Ca 0.35 -0.11 -0.24 0.00 -1.18 0.00 0.00 61.69 60.51 3fie s THR 279 Cb -0.12 -2.99 -0.16 0.00 1.34 0.00 0.00 72.50 70.57 3fie s THR 279 CO 0.20 0.00 1.69 0.28 -0.54 0.00 0.00 174.62 176.25 3fie h SER 280 N -0.92 -0.04 -0.32 3.99 0.02 -1.98 0.17 113.55 114.47 3fie h SER 280 Ca -0.45 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 60.52 3fie h SER 280 Cb 1.32 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 3fie h SER 280 CO 0.62 0.01 -0.03 0.00 -1.14 0.00 0.00 176.83 176.29 3fie h ALA 281 N 0.87 0.26 -0.96 3.77 0.00 -1.98 0.55 119.26 121.76 3fie h ALA 281 Ca -0.01 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3fie h ALA 281 Cb 0.08 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3fie h ALA 281 CO 0.01 -0.43 0.63 1.98 0.00 0.00 0.00 179.25 181.44 3fie h MET 282 N 0.06 1.19 -0.44 0.00 -1.53 -1.88 0.03 114.93 112.36 3fie h MET 282 Ca 0.15 -0.07 -0.10 0.00 -3.44 0.00 0.00 59.70 56.24 3fie h MET 282 Cb 0.22 -0.27 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 3fie h MET 282 CO -0.28 0.79 -0.13 -0.22 0.14 0.00 0.00 176.91 177.21 3fie h LYS 283 N 1.23 0.81 -0.23 0.39 1.63 0.71 -2.37 116.57 118.75 3fie h LYS 283 Ca 0.38 -0.28 -0.13 0.00 -0.85 0.00 0.00 60.65 59.76 3fie h LYS 283 Cb -0.02 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3fie h LYS 283 CO -0.11 0.90 -0.42 0.93 -3.45 0.00 0.00 179.45 177.30 3fie h GLU 284 N 0.73 0.55 -0.37 1.90 4.39 0.11 -1.72 114.58 120.17 3fie h GLU 284 Ca 0.12 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 3fie h GLU 284 Cb 0.62 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3fie h GLU 284 CO 0.04 0.87 0.01 -0.22 -1.16 0.00 0.00 179.01 178.55 3fie h LYS 285 N 0.45 0.65 -0.25 2.33 3.64 -0.77 0.03 116.57 122.65 3fie h LYS 285 Ca 0.04 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3fie h LYS 285 Cb 0.92 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3fie h LYS 285 CO 0.08 0.75 -0.01 0.82 -2.27 0.00 0.00 179.45 178.81 3fie h ILE 286 N 0.47 1.26 0.41 2.00 2.04 -1.37 -1.94 117.51 120.38 3fie h ILE 286 Ca 0.11 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3fie h ILE 286 Cb 0.45 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3fie h ILE 286 CO 0.02 0.30 -0.24 0.22 0.00 0.00 0.00 178.15 178.45 3fie h TYR 287 N 0.22 -0.62 -0.54 1.37 3.20 -1.23 -2.63 116.97 116.74 3fie h TYR 287 Ca 0.07 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3fie h TYR 287 Cb 0.44 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3fie h TYR 287 CO 0.04 -0.37 0.35 -0.91 -1.64 0.00 0.00 178.16 175.63 3fie h ASN 288 N -0.61 0.61 -0.13 -2.11 2.35 -1.01 -1.20 115.58 113.48 3fie h ASN 288 Ca -0.05 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 3fie h ASN 288 Cb 0.49 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3fie h ASN 288 CO 0.06 0.44 -0.10 0.78 -1.65 0.00 0.00 177.43 176.96 3fie h ASN 289 N 0.72 0.44 0.27 5.81 -0.26 -1.36 -1.12 115.58 120.08 3fie h ASN 289 Ca 0.20 -0.10 -0.22 0.00 -0.56 0.00 0.00 56.30 55.61 3fie h ASN 289 Cb -0.08 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 3fie h ASN 289 CO -0.05 0.58 -0.91 0.25 -1.06 0.00 0.00 177.43 176.24 3fie h LEU 290 N 0.43 0.58 -0.69 1.61 5.85 -1.22 -1.92 115.31 119.95 3fie h LEU 290 Ca 0.08 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 3fie h LEU 290 Cb 0.44 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3fie h LEU 290 CO 0.02 1.24 0.18 0.25 -0.34 0.00 0.00 178.44 179.80 3fie h LEU 291 N 0.27 1.04 -0.51 2.25 5.85 -0.97 -0.51 115.31 122.74 3fie h LEU 291 Ca -0.08 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 3fie h LEU 291 Cb 1.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3fie h LEU 291 CO 0.16 1.00 0.22 0.00 -0.34 0.00 0.00 178.44 179.48 3fie h ALA 292 N 1.08 0.65 -0.85 1.25 0.00 -1.18 -0.26 119.26 119.96 3fie h ALA 292 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fie h ALA 292 Cb 0.36 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3fie h ALA 292 CO 0.00 0.24 0.53 -0.91 0.00 0.00 0.00 179.25 179.11 3fie h ASN 293 N 0.67 1.01 0.31 0.00 -0.26 -0.88 -1.33 115.58 115.10 3fie h ASN 293 Ca 0.17 -0.06 -0.15 0.00 -0.56 0.00 0.00 56.30 55.70 3fie h ASN 293 Cb 0.16 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 3fie h ASN 293 CO -0.02 0.76 -0.62 1.88 -1.06 0.00 0.00 177.43 178.37 3fie h TYR 294 N 1.16 0.39 -0.36 1.19 -1.99 -0.76 -1.44 116.97 115.16 3fie h TYR 294 Ca 0.31 -0.15 -0.09 0.00 2.00 0.00 0.00 58.73 60.79 3fie h TYR 294 Cb -0.07 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.58 3fie h TYR 294 CO -0.00 0.84 -0.16 0.93 -0.00 0.00 0.00 178.16 179.77 3fie h GLU 295 N 0.22 0.64 -0.52 4.88 5.08 -0.71 0.46 114.58 124.63 3fie h GLU 295 Ca -0.01 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 3fie h GLU 295 Cb 1.14 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3fie h GLU 295 CO 0.10 0.77 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.66 3fie h LYS 296 N 0.58 0.87 -0.10 2.33 1.63 -0.92 -2.25 116.57 118.71 3fie h LYS 296 Ca 0.10 -0.25 -0.14 0.00 -0.85 0.00 0.00 60.65 59.50 3fie h LYS 296 Cb 0.60 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 3fie h LYS 296 CO 0.04 0.87 -0.56 0.82 -3.45 0.00 0.00 179.45 177.17 3fie h ILE 297 N 0.81 1.36 -0.23 2.00 2.04 -0.58 -2.12 117.51 120.79 3fie h ILE 297 Ca 0.15 -1.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 3fie h ILE 297 Cb 0.49 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 3fie h ILE 297 CO 0.02 0.56 0.14 0.00 0.00 0.00 0.00 178.15 178.87 3fie h ALA 298 N 1.18 0.29 -0.79 1.87 0.00 -0.55 0.22 119.26 121.47 3fie h ALA 298 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3fie h ALA 298 Cb 1.06 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3fie h ALA 298 CO 0.09 -0.21 0.48 1.15 0.00 0.00 0.00 179.25 180.77 3fie h THR 299 N 0.29 1.03 0.41 0.00 2.02 -1.31 -2.52 112.91 112.82 3fie h THR 299 Ca 0.08 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3fie h THR 299 Cb 0.01 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3fie h THR 299 CO -0.02 0.16 -0.19 -0.09 0.37 0.00 0.00 175.52 175.75 3fie h ARG 300 N 0.89 -0.53 -0.21 6.66 9.65 -0.70 -2.99 114.38 127.15 3fie h ARG 300 Ca 0.34 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.32 3fie h ARG 300 Cb 0.15 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 3fie h ARG 300 CO -0.17 -0.31 0.18 1.25 2.80 0.00 0.00 179.97 183.72 3fie h LEU 301 N -0.62 0.00 -0.61 3.80 5.85 -0.32 -1.60 115.31 121.81 3fie h LEU 301 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3fie h LEU 301 Cb 0.46 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3fie h LEU 301 CO 0.09 0.00 0.40 0.28 -0.34 0.00 0.00 178.44 178.87 3fie h SER 302 N 0.00 0.71 0.34 1.25 0.02 -1.30 -2.87 113.55 111.69 3fie h SER 302 Ca 0.10 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3fie h SER 302 Cb 0.45 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3fie h SER 302 CO -0.00 0.52 0.00 0.54 -1.14 0.00 0.00 176.83 176.75 3fie n ARG 303 N -4.65 0.39 -2.14 3.45 5.12 -0.60 -4.88 116.66 113.35 3fie n ARG 303 Ca 0.05 0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 3fie n ARG 303 Cb 0.02 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.80 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 -2.46 3.41 0.00 1.55 1.01 -1.09 -4.36 120.40 118.46 3fie s VAL 304 Ca 0.24 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3fie s VAL 304 Cb 0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3fie s VAL 304 CO 0.33 0.03 0.53 -0.46 0.00 0.00 0.00 175.10 175.53 3fie n ASN 305 N 4.88 0.00 -3.75 3.32 0.23 -0.17 -4.98 115.26 114.78 3fie n ASN 305 Ca 0.13 -1.23 -0.13 0.00 -0.53 0.00 0.00 54.58 52.81 3fie n ASN 305 Cb 0.42 -0.05 -0.09 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.23 -0.23 -0.08 0.53 0.15 -1.01 -5.03 113.70 107.80 3fie s SER 306 Ca 0.00 0.20 -0.32 0.00 0.70 0.00 0.00 55.95 56.53 3fie s SER 306 Cb 0.00 0.38 0.12 0.00 -1.71 0.00 0.00 66.02 64.81 3fie s SER 306 CO 0.00 -0.40 1.12 0.00 1.20 0.00 0.00 173.24 175.16 3fie s ALA 307 N -1.10 -2.00 0.76 5.45 0.00 -1.26 -2.07 121.76 121.54 3fie s ALA 307 Ca -0.11 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 3fie s ALA 307 Cb -0.05 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.29 3fie s ALA 307 CO 0.04 -0.75 1.16 -2.30 0.00 0.00 0.00 175.76 173.91 3fie n PRO 308 N -0.24 0.46 -0.34 0.00 -0.02 -1.26 -4.86 135.00 128.73 3fie n PRO 308 Ca -0.04 0.22 0.16 0.00 -2.02 0.00 0.00 63.50 61.82 3fie n PRO 308 Cb 0.60 -2.40 0.37 0.00 -0.02 0.00 0.00 33.50 32.05 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 -0.45 0.63 -0.01 0.52 0.13 -2.01 -0.82 132.00 129.99 3fie h PRO 309 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3fie h PRO 309 Cb 1.32 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3fie h PRO 309 CO 0.48 0.41 0.00 0.39 -0.23 0.00 0.00 178.00 179.05 3fie n GLU 310 N -4.78 0.64 -4.92 0.86 4.71 -1.26 -4.75 120.64 111.15 3fie n GLU 310 Ca 0.25 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 57.07 3fie n GLU 310 Cb 0.67 -1.00 -0.14 0.00 -1.01 0.00 0.00 31.44 29.95 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 -1.99 2.70 -0.56 -0.32 2.02 -0.31 -5.07 117.35 113.81 3fie s TYR 311 Ca 0.00 -0.47 -0.17 0.00 -0.37 0.00 0.00 57.07 56.06 3fie s TYR 311 Cb 0.00 -1.71 0.12 0.00 -0.40 0.00 0.00 41.96 39.97 3fie s TYR 311 CO 0.00 -0.05 0.57 0.34 -1.57 0.00 0.00 175.55 174.83 3fie s ASP 312 N -0.18 6.20 0.18 2.29 -1.08 -1.26 -4.87 116.67 117.95 3fie s ASP 312 Ca -0.01 -1.70 -0.15 0.00 -0.52 0.00 0.00 52.55 50.17 3fie s ASP 312 Cb -0.13 -2.24 0.14 0.00 -1.46 0.00 0.00 42.92 39.23 3fie s ASP 312 CO 0.03 -0.93 1.68 0.40 0.52 0.00 0.00 175.17 176.88 3fie h ILE 313 N 5.88 0.63 -0.99 4.11 2.04 -1.97 -1.80 117.51 125.42 3fie h ILE 313 Ca -0.29 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.60 3fie h ILE 313 Cb 1.09 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 3fie h ILE 313 CO 1.05 0.02 0.64 0.78 0.00 0.00 0.00 178.15 180.64 3fie h ASN 314 N 0.08 1.03 0.28 1.72 4.21 -1.99 -0.35 115.58 120.57 3fie h ASN 314 Ca 0.22 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.74 3fie h ASN 314 Cb 0.33 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 3fie h ASN 314 CO -0.39 0.66 -0.30 -0.33 -1.29 0.00 0.00 177.43 175.78 3fie h GLU 315 N 1.17 -0.60 -0.31 0.81 5.08 -1.76 -0.88 114.58 118.10 3fie h GLU 315 Ca 0.42 0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.71 3fie h GLU 315 Cb 0.15 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3fie h GLU 315 CO -0.16 -0.40 -0.27 1.88 -1.00 0.00 0.00 179.01 179.05 3fie h TYR 316 N -0.63 0.72 -0.58 4.33 0.05 -1.23 -0.25 116.97 119.37 3fie h TYR 316 Ca -0.01 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.60 3fie h TYR 316 Cb 0.58 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 3fie h TYR 316 CO -0.19 0.84 0.36 0.87 -1.05 0.00 0.00 178.16 178.98 3fie h LYS 317 N 0.54 0.78 -0.32 4.88 1.57 -0.95 0.14 116.57 123.22 3fie h LYS 317 Ca 0.07 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3fie h LYS 317 Cb 0.75 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 3fie h LYS 317 CO 0.06 0.55 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.03 3fie h ASP 318 N 0.79 0.46 0.02 0.86 3.32 -0.77 -0.91 116.42 120.19 3fie h ASP 318 Ca 0.21 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3fie h ASP 318 Cb -0.04 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3fie h ASP 318 CO -0.04 0.55 -0.01 0.22 -1.72 0.00 0.00 179.24 178.23 3fie h TYR 319 N 0.47 -0.03 0.00 4.55 5.03 0.32 -2.70 116.97 124.61 3fie h TYR 319 Ca 0.10 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 3fie h TYR 319 Cb 0.34 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.63 3fie h TYR 319 CO 0.01 0.31 -0.14 0.74 -1.32 0.00 0.00 178.16 177.76 3fie h PHE 320 N -0.38 0.00 -0.65 -3.82 0.04 -0.67 -0.26 116.94 111.19 3fie h PHE 320 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3fie h PHE 320 Cb 0.36 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 3fie h PHE 320 CO 0.04 0.14 0.25 0.37 -0.60 0.00 0.00 178.31 178.52 3fie h GLN 321 N 0.00 0.98 0.32 1.51 4.15 -1.10 -1.82 115.11 119.15 3fie h GLN 321 Ca -0.00 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 3fie h GLN 321 Cb 0.70 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3fie h GLN 321 CO 0.02 0.83 -0.15 2.35 -1.93 0.00 0.00 178.83 179.95 3fie h TRP 322 N 0.92 -0.39 -0.46 3.99 7.01 -1.04 0.16 115.95 126.15 3fie h TRP 322 Ca 0.22 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.30 3fie h TRP 322 Cb 0.22 0.13 -0.08 0.00 -2.10 0.00 0.00 29.16 27.33 3fie h TRP 322 CO 0.01 -0.07 -0.10 -0.22 -2.79 0.00 0.00 178.44 175.28 3fie h LYS 323 N -0.76 0.02 -0.37 2.65 3.64 -0.96 -2.05 116.57 118.74 3fie h LYS 323 Ca -0.04 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3fie h LYS 323 Cb 0.50 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3fie h LYS 323 CO 0.07 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.92 3fie n TYR 324 N -5.32 0.47 -3.53 1.91 4.02 -0.70 -4.93 117.16 109.09 3fie n TYR 324 Ca 0.04 -0.22 -0.20 0.00 -0.01 0.00 0.00 57.90 57.51 3fie n TYR 324 Cb 0.25 -0.03 0.08 0.00 -0.02 0.00 0.00 39.34 39.61 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 0.90 -0.43 3.92 2.72 0.00 -0.77 -4.80 105.19 106.73 3fie n GLY 325 Ca 0.10 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.76 4.34 -0.10 0.99 1.43 0.53 -0.98 118.68 118.13 3fie s LEU 326 Ca 0.24 0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3fie s LEU 326 Cb -0.11 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3fie s LEU 326 CO 0.74 0.16 0.09 -1.81 0.23 0.00 0.00 176.35 175.76 3fie s ASP 327 N -2.57 5.94 -0.39 2.29 1.01 0.13 -4.71 116.67 118.38 3fie s ASP 327 Ca 0.35 0.33 -0.15 0.00 0.71 0.00 0.00 52.55 53.78 3fie s ASP 327 Cb -0.13 -1.83 0.01 0.00 1.01 0.00 0.00 42.92 41.98 3fie s ASP 327 CO 0.28 0.38 0.34 -0.75 0.21 0.00 0.00 175.17 175.64 3fie s LYS 328 N -1.06 3.20 0.92 8.23 2.20 -1.26 -1.52 119.74 130.44 3fie s LYS 328 Ca 0.15 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.88 3fie s LYS 328 Cb -0.12 -3.92 0.14 0.00 -1.51 0.00 0.00 37.83 32.43 3fie s LYS 328 CO 0.05 -0.69 1.13 -0.80 -0.36 0.00 0.00 175.35 174.67 3fie s ASN 329 N 1.74 3.42 0.28 1.43 0.01 0.98 -4.89 114.94 117.91 3fie s ASN 329 Ca 0.09 1.04 0.02 0.00 -0.71 0.00 0.00 52.86 53.29 3fie s ASN 329 Cb -0.18 -1.64 0.63 0.00 0.41 0.00 0.00 41.25 40.47 3fie s ASN 329 CO 0.11 -2.62 1.77 0.00 -1.51 0.00 0.00 177.10 174.86 3fie h ALA 330 N -1.54 1.45 0.00 0.60 0.00 -1.98 -0.94 119.26 116.85 3fie h ALA 330 Ca -0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fie h ALA 330 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fie h ALA 330 CO 0.61 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 3fie n ASP 331 N -4.83 0.64 -0.17 0.00 3.85 -1.26 -4.83 116.55 109.95 3fie n ASP 331 Ca 0.20 -1.83 -0.02 0.00 -0.71 0.00 0.00 54.79 52.42 3fie n ASP 331 Cb 0.50 -0.32 -0.01 0.00 -1.35 0.00 0.00 41.12 39.94 3fie n ASP 331 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fie n GLY 332 N 0.16 0.48 3.94 6.12 0.00 -0.36 -5.01 105.19 110.52 3fie n GLY 332 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 3fie n GLY 332 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fie s SER 333 N -2.23 6.36 0.01 1.61 0.15 -1.26 -4.85 113.70 113.49 3fie s SER 333 Ca 0.00 0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.98 3fie s SER 333 Cb 0.00 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 3fie s SER 333 CO 0.00 -0.04 -0.03 -0.31 1.20 0.00 0.00 173.24 174.05 3fie s TYR 334 N -1.89 2.98 -0.00 3.44 1.51 -1.26 -0.01 117.35 122.11 3fie s TYR 334 Ca 0.37 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 3fie s TYR 334 Cb -0.11 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 3fie s TYR 334 CO 0.30 0.42 -0.02 0.95 -1.11 0.00 0.00 175.55 176.09 3fie s THR 335 N -1.06 0.14 0.31 -0.71 -4.23 -0.58 -4.50 115.64 105.01 3fie s THR 335 Ca 0.19 -0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.35 3fie s THR 335 Cb -0.11 -0.13 -0.10 0.00 1.34 0.00 0.00 72.50 73.49 3fie s THR 335 CO 0.09 0.05 1.34 0.68 -0.54 0.00 0.00 174.62 176.24 3fie s VAL 336 N 0.04 2.72 -0.27 2.29 -7.23 -1.26 0.20 120.40 116.88 3fie s VAL 336 Ca -0.00 0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 60.73 3fie s VAL 336 Cb -0.02 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 3fie s VAL 336 CO -0.00 0.15 0.27 0.21 -0.31 0.00 0.00 175.10 175.42 3fie s ASN 337 N -0.25 6.13 0.40 4.85 3.84 -0.15 -4.79 114.94 124.97 3fie s ASN 337 Ca 0.52 0.14 0.06 0.00 0.21 0.00 0.00 52.86 53.78 3fie s ASN 337 Cb -0.40 -2.16 0.81 0.00 -0.55 0.00 0.00 41.25 38.94 3fie s ASN 337 CO 0.50 -0.10 2.04 -0.33 -2.79 0.00 0.00 177.10 176.43 3fie h GLU 338 N 8.20 0.60 -0.17 0.43 4.39 -1.94 0.15 114.58 126.25 3fie h GLU 338 Ca -0.34 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.26 3fie h GLU 338 Cb 1.18 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3fie h GLU 338 CO 0.60 0.40 -0.14 -0.91 -1.16 0.00 0.00 179.01 177.80 3fie h ASN 339 N 0.62 0.41 -0.65 1.42 4.21 -1.94 -0.24 115.58 119.40 3fie h ASN 339 Ca 0.17 -0.46 -0.02 0.00 1.21 0.00 0.00 56.30 57.20 3fie h ASN 339 Cb -0.06 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 36.99 3fie h ASN 339 CO -0.03 0.79 0.34 0.11 -1.29 0.00 0.00 177.43 177.34 3fie h LYS 340 N 0.05 0.92 -0.20 0.81 1.57 -1.75 -2.00 116.57 115.97 3fie h LYS 340 Ca 0.03 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3fie h LYS 340 Cb 0.66 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3fie h LYS 340 CO 0.04 0.72 0.10 0.35 -0.57 0.00 0.00 179.45 180.08 3fie h PHE 341 N 0.90 0.29 -0.56 -1.35 3.57 -0.65 -0.45 116.94 118.69 3fie h PHE 341 Ca 0.23 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.85 3fie h PHE 341 Cb 0.08 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3fie h PHE 341 CO -0.00 0.30 0.39 -0.91 -2.23 0.00 0.00 178.31 175.86 3fie h ASN 342 N 0.19 0.15 1.23 0.41 -0.26 -0.80 0.18 115.58 116.68 3fie h ASN 342 Ca 0.07 0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 55.66 3fie h ASN 342 Cb 0.12 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 3fie h ASN 342 CO -0.01 0.08 -0.75 -0.33 -1.06 0.00 0.00 177.43 175.36 3fie h GLU 343 N 0.17 0.00 0.03 0.81 4.39 -0.57 -1.54 114.58 117.86 3fie h GLU 343 Ca 0.27 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 3fie h GLU 343 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3fie h GLU 343 CO -0.04 0.75 -0.02 0.82 -1.16 0.00 0.00 179.01 179.36 3fie h ILE 344 N 0.00 1.36 -0.46 3.13 1.08 0.74 -1.37 117.51 121.98 3fie h ILE 344 Ca -0.01 -1.34 0.08 0.00 -0.39 0.00 0.00 64.86 63.21 3fie h ILE 344 Cb 1.57 2.23 -0.07 0.00 -3.07 0.00 0.00 36.82 37.48 3fie h ILE 344 CO 0.10 0.33 0.02 0.22 -0.69 0.00 0.00 178.15 178.13 3fie h TYR 345 N -0.64 0.00 -0.21 1.37 3.20 -0.82 0.94 116.97 120.81 3fie h TYR 345 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3fie h TYR 345 Cb 0.58 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3fie h TYR 345 CO 0.12 -0.08 0.12 -0.22 -1.64 0.00 0.00 178.16 176.46 3fie h LYS 346 N 0.13 0.30 -0.26 1.82 3.64 -1.30 -3.05 116.57 117.85 3fie h LYS 346 Ca 0.23 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 3fie h LYS 346 Cb 0.33 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3fie h LYS 346 CO -0.36 0.26 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.83 3fie h LYS 347 N 0.25 0.04 -0.88 1.90 3.64 -0.33 -1.80 116.57 119.39 3fie h LYS 347 Ca 0.08 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 3fie h LYS 347 Cb 0.05 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 3fie h LYS 347 CO -0.01 0.03 0.57 -0.07 -2.27 0.00 0.00 179.45 177.69 3fie h LEU 348 N 0.04 0.64 -2.75 5.20 3.38 -0.74 -2.39 115.31 118.69 3fie h LEU 348 Ca 0.12 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fie h LEU 348 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fie h LEU 348 CO -0.23 0.33 0.00 -1.22 0.09 0.00 0.00 178.44 177.40 3fie n TYR 349 N -4.55 0.70 0.71 1.13 4.01 -1.07 -4.29 117.16 113.80 3fie n TYR 349 Ca 0.17 -0.47 0.13 0.00 -0.16 0.00 0.00 57.90 57.57 3fie n TYR 349 Cb 0.47 -0.01 0.47 0.00 -0.31 0.00 0.00 39.34 39.95 3fie n TYR 349 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3fie n SER 350 N 1.11 0.58 -4.56 7.72 3.41 -0.70 -4.65 113.62 116.53 3fie n SER 350 Ca 0.18 0.56 -0.40 0.00 -0.26 0.00 0.00 58.87 58.95 3fie n SER 350 Cb 0.53 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 3fie n SER 350 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3fie s PHE 351 N -3.08 3.22 0.04 7.33 0.08 -1.26 -4.99 117.98 119.32 3fie s PHE 351 Ca 0.11 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.16 3fie s PHE 351 Cb 0.14 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3fie s PHE 351 CO 0.56 -0.32 -0.05 0.95 -0.10 0.00 0.00 175.22 176.26 3fie s THR 352 N 1.86 0.31 0.20 0.64 -4.23 -1.26 -4.74 115.64 108.42 3fie s THR 352 Ca 0.09 -1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 59.29 3fie s THR 352 Cb -0.17 -0.71 0.12 0.00 1.34 0.00 0.00 72.50 73.08 3fie s THR 352 CO 0.11 -0.59 1.75 -0.08 -0.54 0.00 0.00 174.62 175.27 3fie h GLU 353 N 4.18 1.07 -0.31 3.99 4.81 -0.74 -1.87 114.58 125.72 3fie h GLU 353 Ca -0.34 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3fie h GLU 353 Cb 1.19 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3fie h GLU 353 CO 0.48 0.89 0.13 0.82 -0.73 0.00 0.00 179.01 180.60 3fie h ILE 354 N 1.02 1.17 -0.28 2.32 1.08 -1.38 -1.48 117.51 119.96 3fie h ILE 354 Ca 0.23 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 3fie h ILE 354 Cb 0.24 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 3fie h ILE 354 CO -0.02 0.18 0.06 -0.78 -0.69 0.00 0.00 178.15 176.91 3fie h ASP 355 N 0.36 0.43 -0.61 1.72 3.58 -1.76 -1.35 116.42 118.78 3fie h ASP 355 Ca 0.10 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 3fie h ASP 355 Cb 0.15 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 3fie h ASP 355 CO -0.01 0.55 0.21 -0.07 -2.88 0.00 0.00 179.24 177.04 3fie h LEU 356 N 0.28 0.89 -0.21 2.28 3.38 -1.33 -0.59 115.31 120.02 3fie h LEU 356 Ca 0.09 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3fie h LEU 356 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3fie h LEU 356 CO 0.00 0.83 0.07 0.00 0.09 0.00 0.00 178.44 179.43 3fie h ALA 357 N 1.29 0.23 -0.07 1.53 0.00 -1.00 0.40 119.26 121.64 3fie h ALA 357 Ca 0.21 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3fie h ALA 357 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3fie h ALA 357 CO -0.01 -0.35 -0.06 -0.91 0.00 0.00 0.00 179.25 177.92 3fie h ASN 358 N 0.17 -0.18 0.21 0.00 -0.26 -0.83 0.33 115.58 115.02 3fie h ASN 358 Ca 0.09 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 3fie h ASN 358 Cb 0.06 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 3fie h ASN 358 CO -0.09 -0.08 -0.17 0.11 -1.06 0.00 0.00 177.43 176.14 3fie h LYS 359 N -0.07 0.00 -0.24 0.81 1.57 -0.55 -1.59 116.57 116.50 3fie h LYS 359 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3fie h LYS 359 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3fie h LYS 359 CO -0.12 0.17 0.00 1.19 -0.57 0.00 0.00 179.45 180.12 3fie n PHE 360 N -4.19 0.31 -3.78 -1.35 3.72 0.14 -4.92 117.46 107.39 3fie n PHE 360 Ca -0.02 -0.16 -0.24 0.00 -0.05 0.00 0.00 57.45 56.98 3fie n PHE 360 Cb 0.24 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.67 -5.07 -4.42 -1.08 5.02 -0.30 -4.97 118.16 108.01 3fie n LYS 361 Ca 0.17 0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 3fie n LYS 361 Cb 0.41 -5.25 -0.13 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.57 3.42 0.20 -0.18 1.01 0.10 -4.97 120.40 116.41 3fie s VAL 362 Ca 0.21 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3fie s VAL 362 Cb -0.11 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 3fie s VAL 362 CO 0.82 0.49 1.27 -0.75 0.00 0.00 0.00 175.10 176.93 3fie s LYS 363 N 0.65 4.42 0.00 2.72 2.47 -1.26 -4.30 119.74 124.45 3fie s LYS 363 Ca -0.04 1.99 -0.06 0.00 -1.56 0.00 0.00 55.97 56.30 3fie s LYS 363 Cb -0.15 -3.21 -0.00 0.00 -1.46 0.00 0.00 37.83 33.01 3fie s LYS 363 CO 0.02 -0.19 0.12 0.00 0.16 0.00 0.00 175.35 175.46 3fie n ARG 365 N 1.52 0.23 -0.02 0.00 1.85 -1.26 -4.96 116.66 114.02 3fie n ARG 365 Ca -0.23 0.15 -0.17 0.00 -1.00 0.00 0.00 57.85 56.60 3fie n ARG 365 Cb 0.56 -2.27 -0.09 0.00 -1.05 0.00 0.00 32.46 29.61 3fie n ARG 365 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3fie h ASN 366 N -0.75 0.69 -2.71 2.89 4.21 -2.01 -3.47 115.58 114.43 3fie h ASN 366 Ca -0.46 -0.65 -0.61 0.00 1.21 0.00 0.00 56.30 55.79 3fie h ASN 366 Cb 1.31 -0.20 -0.16 0.00 -1.12 0.00 0.00 38.32 38.15 3fie h ASN 366 CO 0.45 1.23 -0.78 0.42 -1.29 0.00 0.00 177.43 177.46 3fie s THR 367 N -3.64 2.33 0.04 2.81 -4.23 -1.26 -4.56 115.64 107.13 3fie s THR 367 Ca -0.12 -2.23 -0.27 0.00 -1.18 0.00 0.00 61.69 57.89 3fie s THR 367 Cb 0.06 -2.19 -0.17 0.00 1.34 0.00 0.00 72.50 71.54 3fie s THR 367 CO 0.85 -0.32 1.42 0.22 -0.54 0.00 0.00 174.62 176.25 3fie h TYR 368 N 2.67 -0.45 -2.54 3.99 3.20 -1.90 -3.41 116.97 118.52 3fie h TYR 368 Ca -0.42 -0.01 -0.59 0.00 3.14 0.00 0.00 58.73 60.85 3fie h TYR 368 Cb 1.24 0.15 -0.11 0.00 1.54 0.00 0.00 36.73 39.54 3fie h TYR 368 CO 0.75 -0.17 0.78 0.12 -1.64 0.00 0.00 178.16 178.00 3fie s PHE 369 N -5.26 2.50 0.04 -3.82 5.36 -1.26 -4.98 117.98 110.56 3fie s PHE 369 Ca -0.15 -0.30 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 3fie s PHE 369 Cb 0.03 -4.44 -0.03 0.00 -0.34 0.00 0.00 43.02 38.24 3fie s PHE 369 CO 0.58 -1.83 -0.01 0.42 -1.46 0.00 0.00 175.22 172.92 3fie s ILE 370 N 4.82 0.18 -0.24 3.12 1.01 -1.26 -0.37 121.20 128.45 3fie s ILE 370 Ca 0.28 -1.47 -0.15 0.00 0.00 0.00 0.00 60.65 59.32 3fie s ILE 370 Cb -0.13 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3fie s ILE 370 CO 0.13 -0.81 0.38 -0.75 0.00 0.00 0.00 174.94 173.88 3fie s LYS 371 N -3.10 4.08 0.03 2.79 2.47 -1.26 -4.95 119.74 119.80 3fie s LYS 371 Ca -0.01 0.09 0.06 0.00 -1.56 0.00 0.00 55.97 54.55 3fie s LYS 371 Cb 0.02 -3.60 -0.02 0.00 -1.46 0.00 0.00 37.83 32.77 3fie s LYS 371 CO -0.07 -0.17 -0.16 1.52 0.16 0.00 0.00 175.35 176.63 3fie s TYR 372 N 1.73 1.45 0.86 4.03 -0.00 -1.26 -4.91 117.35 119.25 3fie s TYR 372 Ca 0.16 -0.34 -0.10 0.00 -0.00 0.00 0.00 57.07 56.80 3fie s TYR 372 Cb -0.15 -0.88 0.17 0.00 -0.00 0.00 0.00 41.96 41.10 3fie s TYR 372 CO 0.09 0.04 1.19 0.20 -0.00 0.00 0.00 175.55 177.07 3fie s GLY 373 N -0.96 1.77 0.17 5.49 0.00 -1.26 -4.87 107.32 107.65 3fie s GLY 373 Ca 0.04 -1.38 0.06 0.00 0.00 0.00 0.00 44.72 43.45 3fie s GLY 373 CO 0.01 -0.70 -0.13 -1.36 0.00 0.00 0.00 173.10 170.92 3fie s PHE 374 N -3.59 1.49 -0.11 1.90 0.08 -1.26 -1.59 117.98 114.91 3fie s PHE 374 Ca 0.70 -0.63 -0.08 0.00 0.12 0.00 0.00 56.93 57.04 3fie s PHE 374 Cb -0.05 -0.73 0.04 0.00 -0.57 0.00 0.00 43.02 41.71 3fie s PHE 374 CO 0.49 0.22 0.27 -1.17 -0.10 0.00 0.00 175.22 174.94 3fie s LEU 375 N -3.08 0.70 0.04 -0.37 2.96 -0.79 -4.89 118.68 113.26 3fie s LEU 375 Ca 0.18 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.35 3fie s LEU 375 Cb -0.00 0.90 -0.08 0.00 0.50 0.00 0.00 46.19 47.50 3fie s LEU 375 CO 0.04 -0.13 1.79 -0.75 -1.32 0.00 0.00 176.35 175.98 3fie s LYS 376 N 0.61 4.16 0.09 1.98 2.47 -1.26 -2.10 119.74 125.69 3fie s LYS 376 Ca -0.04 2.44 -0.31 0.00 -1.56 0.00 0.00 55.97 56.51 3fie s LYS 376 Cb -0.05 -3.86 -0.08 0.00 -1.46 0.00 0.00 37.83 32.38 3fie s LYS 376 CO -0.04 -0.85 1.50 0.08 0.16 0.00 0.00 175.35 176.21 3fie s VAL 377 N 3.53 3.18 1.12 4.02 1.01 -0.30 -4.94 120.40 128.01 3fie s VAL 377 Ca 0.80 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 3fie s VAL 377 Cb -0.41 -3.48 0.26 0.00 0.00 0.00 0.00 36.38 32.75 3fie s VAL 377 CO 0.35 0.03 1.05 -2.16 0.00 0.00 0.00 175.10 174.37 3fie s PRO 378 N 1.83 -0.55 -0.81 2.72 0.04 -1.26 -4.71 135.00 132.27 3fie s PRO 378 Ca 0.68 0.92 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 3fie s PRO 378 Cb -0.38 -1.59 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 3fie s PRO 378 CO 0.30 -3.50 2.52 -1.71 0.04 0.00 0.00 177.00 174.65 3fie n ASN 379 N -4.77 0.88 0.26 6.66 2.85 -1.26 -4.82 115.26 115.07 3fie n ASN 379 Ca 0.04 -0.29 0.14 0.00 -0.11 0.00 0.00 54.58 54.36 3fie n ASN 379 Cb 0.54 -1.16 0.70 0.00 1.24 0.00 0.00 39.78 41.10 3fie n ASN 379 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3fie h LEU 380 N 15.39 0.00 -0.46 1.20 3.38 -1.93 -2.46 115.31 130.44 3fie h LEU 380 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fie h LEU 380 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3fie h LEU 380 CO 1.31 0.12 0.00 0.18 0.09 0.00 0.00 178.44 180.13 3fie n LEU 381 N -3.44 0.69 -4.51 1.67 4.77 -1.26 -4.62 117.00 110.31 3fie n LEU 381 Ca -0.01 -0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 3fie n LEU 381 Cb 0.28 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 3fie n LEU 381 CO 0.29 0.14 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.75 3fie s ASP 382 N -1.69 6.02 0.13 -1.43 -1.08 -0.93 -4.96 116.67 112.74 3fie s ASP 382 Ca 0.33 -0.53 0.12 0.00 -0.52 0.00 0.00 52.55 51.95 3fie s ASP 382 Cb 0.17 -2.13 0.59 0.00 -1.46 0.00 0.00 42.92 40.08 3fie s ASP 382 CO 0.27 -0.27 1.38 0.47 0.52 0.00 0.00 175.17 177.53 3fie n ASP 383 N 5.10 0.25 0.00 -0.34 8.00 -1.26 -1.09 116.55 127.22 3fie n ASP 383 Ca -0.12 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.10 3fie n ASP 383 Cb 0.49 -0.64 0.46 0.00 -0.02 0.00 0.00 41.12 41.41 3fie n ASP 383 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fie n ASP 384 N -1.82 0.23 -0.02 -2.24 8.00 -1.26 -4.19 116.55 115.24 3fie n ASP 384 Ca 0.01 0.18 -0.03 0.00 0.71 0.00 0.00 54.79 55.66 3fie n ASP 384 Cb 0.08 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 3fie n ASP 384 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3fie n ILE 385 N -1.52 0.28 -3.69 0.53 -0.00 -0.25 -5.03 119.36 109.68 3fie n ILE 385 Ca 0.06 -0.11 -0.11 0.00 -0.00 0.00 0.00 62.75 62.60 3fie n ILE 385 Cb 0.34 -0.67 -0.11 0.00 -0.00 0.00 0.00 39.64 39.19 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 -2.10 -0.56 0.26 1.39 5.04 -0.40 -4.38 117.35 116.61 3fie s TYR 386 Ca -0.07 1.19 0.10 0.00 -2.44 0.00 0.00 57.07 55.86 3fie s TYR 386 Cb 0.02 0.17 -0.05 0.00 0.35 0.00 0.00 41.96 42.46 3fie s TYR 386 CO 0.11 -0.36 -0.09 0.95 -1.34 0.00 0.00 175.55 174.82 3fie s THR 387 N 1.88 3.03 0.14 4.34 -4.23 -0.66 -4.04 115.64 116.10 3fie s THR 387 Ca -0.05 -2.09 -0.18 0.00 -1.18 0.00 0.00 61.69 58.19 3fie s THR 387 Cb -0.10 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 3fie s THR 387 CO -0.11 -0.36 1.78 0.58 -0.54 0.00 0.00 174.62 175.97 3fie h VAL 388 N 2.12 1.03 0.00 2.29 2.07 -1.89 0.17 116.25 122.04 3fie h VAL 388 Ca -0.43 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 3fie h VAL 388 Cb 1.25 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3fie h VAL 388 CO 0.59 0.06 -0.42 0.77 0.02 0.00 0.00 177.57 178.59 3fie h SER 389 N 0.33 0.00 0.00 0.57 4.64 -1.92 -3.39 113.55 113.78 3fie h SER 389 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3fie h SER 389 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3fie h SER 389 CO -0.06 0.42 0.00 -0.62 -0.87 0.00 0.00 176.83 175.71 3fie n GLU 390 N -3.32 2.89 0.00 4.77 1.02 -1.20 -5.04 120.64 119.75 3fie n GLU 390 Ca 0.01 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3fie n GLU 390 Cb 0.63 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.44 2.17 0.14 0.62 0.00 0.59 -2.63 105.19 106.51 3fie n GLY 391 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.76 116.94 114.94 3fie h PHE 392 Ca 0.00 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 3fie h PHE 392 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3fie h PHE 392 CO 0.00 0.44 3.50 0.09 -0.60 0.00 0.00 178.31 181.74 3fie n ASN 393 N -3.16 6.53 -4.67 2.17 3.02 -1.08 -4.49 115.26 113.58 3fie n ASN 393 Ca 0.01 -2.71 -0.43 0.00 -0.03 0.00 0.00 54.58 51.43 3fie n ASN 393 Cb 0.72 -1.60 -0.02 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 2.56 4.56 0.00 2.41 1.01 -1.26 -4.05 121.20 126.42 3fie s ILE 394 Ca 0.59 1.86 0.00 0.00 0.00 0.00 0.00 60.65 63.10 3fie s ILE 394 Cb 0.16 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3fie s ILE 394 CO -0.07 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.40 3fie n GLY 395 N 3.31 2.71 0.37 6.18 0.00 -1.26 -1.41 105.19 115.09 3fie n GLY 395 Ca 0.11 0.33 0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 0.76 0.00 1.61 -0.73 -2.00 -1.44 115.58 113.78 3fie h ASN 396 Ca 0.00 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.23 3fie h ASN 396 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.50 3fie h ASN 396 CO 0.00 0.36 0.05 0.18 -0.37 0.00 0.00 177.43 177.64 3fie n LEU 397 N -4.62 0.00 0.20 0.34 4.77 -0.50 -1.53 117.00 115.66 3fie n LEU 397 Ca 0.19 0.30 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 3fie n LEU 397 Cb 0.47 -0.30 0.43 0.00 -2.33 0.00 0.00 43.42 41.69 3fie n LEU 397 CO 0.27 -0.30 0.89 0.00 -1.33 0.00 0.00 177.39 176.92 3fie h ALA 398 N 1.74 1.00 -2.03 -1.18 0.00 -1.40 0.14 119.26 117.53 3fie h ALA 398 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3fie h ALA 398 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3fie h ALA 398 CO 0.00 0.00 1.17 0.08 0.00 0.00 0.00 179.25 180.50 3fie s VAL 399 N -3.36 3.60 -1.44 0.00 1.01 -0.58 -2.44 120.40 117.19 3fie s VAL 399 Ca 0.05 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 3fie s VAL 399 Cb 0.08 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.86 3fie s VAL 399 CO 0.57 -0.28 0.46 0.59 0.00 0.00 0.00 175.10 176.44 3fie n ASN 400 N 8.77 -5.10 -4.25 3.32 3.02 -1.26 -2.02 115.26 117.74 3fie n ASN 400 Ca 0.20 -0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 54.15 3fie n ASN 400 Cb 0.45 -4.18 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 3fie n ASN 400 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fie n ASN 401 N -2.33 -2.16 0.21 6.41 3.02 -1.02 -4.78 115.26 114.59 3fie n ASN 401 Ca -0.10 -1.08 0.12 0.00 -0.03 0.00 0.00 54.58 53.49 3fie n ASN 401 Cb 0.60 -2.48 0.68 0.00 -0.61 0.00 0.00 39.78 37.97 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 -1.47 0.00 -0.49 3.52 2.43 -0.44 -0.80 114.38 117.14 3fie h ARG 402 Ca -0.61 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 58.69 3fie h ARG 402 Cb 1.38 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 3fie h ARG 402 CO 0.77 0.00 0.34 0.78 -1.51 0.00 0.00 179.97 180.36 3fie h GLY 403 N 0.00 0.17 0.52 2.80 0.00 -1.28 -0.50 103.07 104.77 3fie h GLY 403 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3fie h GLY 403 CO -0.00 0.02 -0.80 -1.06 0.00 0.00 0.00 176.54 174.70 3fie n GLN 404 N -4.43 0.05 -2.18 4.80 6.02 -0.32 -4.69 117.38 116.63 3fie n GLN 404 Ca 0.08 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 3fie n GLN 404 Cb 0.48 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 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 -3.15 6.38 0.58 1.08 3.84 -0.20 -1.31 114.94 122.17 3fie s ASN 405 Ca 0.09 1.43 0.38 0.00 0.21 0.00 0.00 52.86 54.97 3fie s ASN 405 Cb 0.16 -2.53 1.90 0.00 -0.55 0.00 0.00 41.25 40.24 3fie s ASN 405 CO 0.79 -1.29 2.15 0.40 -2.79 0.00 0.00 177.10 176.36 3fie h ILE 406 N 6.21 0.00 0.00 -5.21 2.04 -1.69 -1.46 117.51 117.40 3fie h ILE 406 Ca -0.32 -0.18 -0.19 0.00 1.00 0.00 0.00 64.86 65.17 3fie h ILE 406 Cb 1.14 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 3fie h ILE 406 CO 1.02 0.00 -2.02 0.29 0.00 0.00 0.00 178.15 177.44 3fie n LYS 407 N -2.97 0.66 0.00 2.37 4.76 -1.26 -4.21 118.16 117.51 3fie n LYS 407 Ca -0.01 -0.02 0.08 0.00 -2.87 0.00 0.00 58.31 55.49 3fie n LYS 407 Cb 0.15 -1.59 0.03 0.00 -1.84 0.00 0.00 35.03 31.79 3fie n LYS 407 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3fie n LEU 408 N -2.61 2.00 -4.40 -0.35 4.77 -1.04 -4.88 117.00 110.48 3fie n LEU 408 Ca -0.17 -0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 3fie n LEU 408 Cb 0.88 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.86 3fie n LEU 408 CO 0.44 0.37 -0.15 0.21 -1.33 0.00 0.00 177.39 176.93 3fie s ASN 409 N -1.69 5.78 0.26 -1.43 3.84 -0.58 -4.96 114.94 116.16 3fie s ASN 409 Ca 0.16 -0.92 -0.02 0.00 0.21 0.00 0.00 52.86 52.30 3fie s ASN 409 Cb 0.14 -2.04 0.56 0.00 -0.55 0.00 0.00 41.25 39.35 3fie s ASN 409 CO 0.32 -0.37 1.67 -0.65 -2.79 0.00 0.00 177.10 175.28 3fie h PRO 410 N 8.46 0.26 -0.02 0.43 0.11 -1.90 0.50 132.00 139.83 3fie h PRO 410 Ca -0.27 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.84 3fie h PRO 410 Cb 1.11 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fie h PRO 410 CO 0.67 0.17 0.02 0.87 -0.21 0.00 0.00 178.00 179.52 3fie h LYS 411 N 0.27 0.00 0.13 1.05 1.79 -1.96 0.31 116.57 118.16 3fie h LYS 411 Ca 0.47 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.60 3fie h LYS 411 Cb 0.86 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 3fie h LYS 411 CO -0.56 0.00 -1.82 0.82 -1.08 0.00 0.00 179.45 176.80 3fie h ILE 412 N 0.00 0.82 -0.07 1.86 2.04 -1.42 -3.20 117.51 117.55 3fie h ILE 412 Ca 0.01 -2.50 0.02 0.00 1.00 0.00 0.00 64.86 63.39 3fie h ILE 412 Cb 0.05 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 3fie h ILE 412 CO -0.00 0.84 -0.03 0.40 0.00 0.00 0.00 178.15 179.35 3fie h ILE 413 N 0.08 0.88 -0.08 -0.67 2.04 -0.28 -2.71 117.51 116.77 3fie h ILE 413 Ca -0.36 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 3fie h ILE 413 Cb 2.05 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3fie h ILE 413 CO 0.13 0.00 -0.19 0.44 0.00 0.00 0.00 178.15 178.53 3fie h ASP 414 N -0.03 0.13 0.58 1.72 3.32 -0.57 -2.64 116.42 118.94 3fie h ASP 414 Ca 0.04 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3fie h ASP 414 Cb 0.09 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3fie h ASP 414 CO -0.09 0.33 -0.08 0.77 -1.72 0.00 0.00 179.24 178.44 3fie h SER 415 N 0.13 0.00 -0.01 6.45 4.64 -1.47 -3.51 113.55 119.77 3fie h SER 415 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3fie h SER 415 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3fie h SER 415 CO 0.03 0.08 0.00 -0.38 -0.87 0.00 0.00 176.83 175.69