#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfm s ALA 2 N 0.00 3.61 0.00 2.24 0.00 -1.26 -5.00 121.76 121.35 1jfm s ALA 2 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1jfm s ALA 2 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1jfm s ALA 2 CO 0.00 0.74 0.00 1.58 0.00 0.00 0.00 175.76 178.08 1jfm n HIS 3 N 0.69 0.00 -4.29 0.00 -0.00 -1.26 -5.17 115.22 105.18 1jfm n HIS 3 Ca -0.10 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.93 1jfm n HIS 3 Cb 0.52 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.29 1jfm n HIS 3 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1jfm s SER 4 N 0.00 1.17 -0.19 0.26 1.04 -1.26 -4.37 113.70 110.35 1jfm s SER 4 Ca 0.00 -1.33 -0.10 0.00 0.48 0.00 0.00 55.95 55.00 1jfm s SER 4 Cb 0.00 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 1jfm s SER 4 CO 0.00 -0.69 0.14 -0.22 0.98 0.00 0.00 173.24 173.45 1jfm s LEU 5 N -3.27 4.23 0.02 2.42 0.20 0.32 -4.45 118.68 118.14 1jfm s LEU 5 Ca 0.34 0.27 0.04 0.00 0.69 0.00 0.00 54.13 55.47 1jfm s LEU 5 Cb 0.07 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1jfm s LEU 5 CO 0.11 0.19 -0.13 -0.13 -0.29 0.00 0.00 176.35 176.10 1jfm s ARG 6 N 0.26 0.94 0.02 1.98 0.52 -0.18 0.13 118.95 122.62 1jfm s ARG 6 Ca 0.09 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.72 1jfm s ARG 6 Cb -0.11 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 1jfm s ARG 6 CO -0.01 0.24 -0.17 0.00 0.02 0.00 0.00 175.30 175.38 1jfm s ASN 8 N -0.85 4.45 -0.06 0.00 -0.87 0.17 -0.94 114.94 116.84 1jfm s ASN 8 Ca 0.05 -1.94 -0.23 0.00 -1.57 0.00 0.00 52.86 49.17 1jfm s ASN 8 Cb -0.07 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.25 39.82 1jfm s ASN 8 CO 0.01 -0.40 0.69 -0.76 -2.57 0.00 0.00 177.10 174.07 1jfm s LEU 9 N 1.21 4.33 -0.09 0.60 1.02 0.22 -3.02 118.68 122.95 1jfm s LEU 9 Ca 0.10 1.19 0.03 0.00 0.02 0.00 0.00 54.13 55.47 1jfm s LEU 9 Cb -0.18 -3.07 -0.01 0.00 0.02 0.00 0.00 46.19 42.94 1jfm s LEU 9 CO -0.15 -0.09 -0.18 -0.89 0.02 0.00 0.00 176.35 175.06 1jfm s THR 10 N 0.66 2.70 -0.33 5.49 2.01 0.53 -0.97 115.64 125.72 1jfm s THR 10 Ca 0.37 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 1jfm s THR 10 Cb -0.18 -2.07 0.13 0.00 0.01 0.00 0.00 72.50 70.39 1jfm s THR 10 CO 0.18 0.56 0.18 -0.63 -0.69 0.00 0.00 174.62 174.22 1jfm s ILE 11 N -0.03 0.09 0.20 1.82 1.01 0.56 -1.97 121.20 122.88 1jfm s ILE 11 Ca -0.05 -1.38 0.07 0.00 0.00 0.00 0.00 60.65 59.29 1jfm s ILE 11 Cb -0.14 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1jfm s ILE 11 CO 0.04 -0.90 0.05 -1.59 0.00 0.00 0.00 174.94 172.55 1jfm s LYS 12 N 1.43 2.54 0.03 2.79 -2.85 -1.18 0.51 119.74 123.01 1jfm s LYS 12 Ca 0.15 -1.12 0.07 0.00 -1.00 0.00 0.00 55.97 54.06 1jfm s LYS 12 Cb -0.21 -2.40 -0.03 0.00 -2.06 0.00 0.00 37.83 33.14 1jfm s LYS 12 CO -0.12 0.43 -0.17 0.16 0.10 0.00 0.00 175.35 175.74 1jfm s ASP 13 N -3.25 3.83 0.00 0.03 3.84 -1.26 -4.25 116.67 115.61 1jfm s ASP 13 Ca 0.30 -0.39 0.00 0.00 -0.00 0.00 0.00 52.55 52.46 1jfm s ASP 13 Cb -0.09 -0.65 0.00 0.00 -1.38 0.00 0.00 42.92 40.80 1jfm s ASP 13 CO 0.21 0.27 0.00 -2.65 -0.00 0.00 0.00 175.17 173.00 1jfm n PRO 14 N 1.67 0.00 -3.37 2.11 -0.02 -1.26 -4.86 135.00 129.27 1jfm n PRO 14 Ca -0.16 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.30 1jfm n PRO 14 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.96 1jfm n PRO 14 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jfm s THR 15 N 0.00 -0.86 -0.60 3.45 -4.23 -1.26 -4.98 115.64 107.16 1jfm s THR 15 Ca 0.00 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 1jfm s THR 15 Cb 0.00 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.95 1jfm s THR 15 CO 0.00 -0.02 0.92 -2.65 -0.54 0.00 0.00 174.62 172.33 1jfm n PRO 16 N 5.41 0.01 0.12 3.99 -0.02 -1.26 0.37 135.00 143.63 1jfm n PRO 16 Ca -0.05 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1jfm n PRO 16 Cb 0.50 -1.71 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 1jfm n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jfm h ALA 17 N 1.38 0.67 -0.80 3.55 0.00 -2.03 -3.38 119.26 118.64 1jfm h ALA 17 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.30 1jfm h ALA 17 Cb 0.33 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 17.84 1jfm h ALA 17 CO 0.00 0.33 -0.98 -0.25 0.00 0.00 0.00 179.25 178.35 1jfm n ASP 18 N -2.91 0.50 -4.54 0.00 9.92 1.19 -5.08 116.55 115.63 1jfm n ASP 18 Ca -0.01 -2.69 -0.30 0.00 -0.53 0.00 0.00 54.79 51.25 1jfm n ASP 18 Cb 0.65 -0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.95 1jfm n ASP 18 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1jfm n PRO 19 N -0.16 0.65 -3.11 -0.24 -0.04 0.16 -4.17 135.00 128.10 1jfm n PRO 19 Ca 0.07 -0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.38 1jfm n PRO 19 Cb 0.81 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1jfm n PRO 19 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jfm s LEU 20 N 11.29 -0.44 0.00 1.53 0.20 -1.26 -4.65 118.68 125.34 1jfm s LEU 20 Ca 1.07 0.02 0.24 0.00 0.69 0.00 0.00 54.13 56.15 1jfm s LEU 20 Cb -0.42 1.20 0.30 0.00 -0.43 0.00 0.00 46.19 46.84 1jfm s LEU 20 CO 0.29 -0.08 1.27 -2.67 -0.29 0.00 0.00 176.35 174.87 1jfm n TRP 21 N 4.97 0.01 -3.70 5.38 4.27 -1.26 -4.65 117.44 122.46 1jfm n TRP 21 Ca 0.09 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.57 1jfm n TRP 21 Cb 0.58 -0.19 -0.09 0.00 -1.36 0.00 0.00 31.31 30.25 1jfm n TRP 21 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 1jfm s TYR 22 N -3.01 -0.51 -0.08 -2.67 -0.85 -1.26 -3.10 117.35 105.87 1jfm s TYR 22 Ca 0.10 1.18 -0.04 0.00 -0.52 0.00 0.00 57.07 57.79 1jfm s TYR 22 Cb 0.17 0.19 0.04 0.00 0.38 0.00 0.00 41.96 42.74 1jfm s TYR 22 CO 0.75 -0.30 0.19 -2.00 -1.52 0.00 0.00 175.55 172.66 1jfm s GLU 23 N -0.03 0.13 -0.05 -3.49 2.12 -0.83 -2.74 118.70 113.80 1jfm s GLU 23 Ca -0.02 0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.81 1jfm s GLU 23 Cb -0.03 -0.16 -0.00 0.00 0.26 0.00 0.00 34.13 34.19 1jfm s GLU 23 CO 0.02 -0.19 -0.19 0.00 -0.54 0.00 0.00 175.26 174.37 1jfm s ALA 24 N 1.39 1.66 -0.02 6.30 0.00 -0.47 -0.35 121.76 130.27 1jfm s ALA 24 Ca -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1jfm s ALA 24 Cb -0.11 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1jfm s ALA 24 CO -0.07 0.28 0.02 0.15 0.00 0.00 0.00 175.76 176.15 1jfm s LYS 25 N 0.10 0.06 0.01 0.00 1.02 -1.17 -1.53 119.74 118.23 1jfm s LYS 25 Ca -0.06 0.15 0.09 0.00 0.02 0.00 0.00 55.97 56.16 1jfm s LYS 25 Cb -0.13 -0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 36.85 1jfm s LYS 25 CO 0.03 -0.15 -0.26 0.00 -0.92 0.00 0.00 175.35 174.05 1jfm s PHE 27 N -0.70 0.87 -0.29 0.00 0.08 0.52 -1.23 117.98 117.22 1jfm s PHE 27 Ca 0.11 -1.14 -0.02 0.00 0.12 0.00 0.00 56.93 56.00 1jfm s PHE 27 Cb -0.10 -0.30 0.12 0.00 -0.57 0.00 0.00 43.02 42.17 1jfm s PHE 27 CO 0.00 -0.75 0.23 0.08 -0.10 0.00 0.00 175.22 174.68 1jfm s VAL 28 N -4.10 -0.26 0.00 -0.44 1.01 -0.99 -1.01 120.40 114.60 1jfm s VAL 28 Ca 0.32 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1jfm s VAL 28 Cb 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1jfm s VAL 28 CO 0.10 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.23 1jfm n GLY 29 N 5.27 2.25 0.00 4.51 0.00 -1.26 -2.16 105.19 113.80 1jfm n GLY 29 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jfm n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jfm n GLU 30 N 0.00 0.00 -2.76 1.61 1.02 -1.26 -5.07 120.64 114.18 1jfm n GLU 30 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1jfm n GLU 30 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1jfm n GLU 30 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jfm s ILE 31 N 0.00 4.47 -0.45 -3.67 1.01 -0.92 -4.99 121.20 116.66 1jfm s ILE 31 Ca 0.00 1.09 -0.26 0.00 0.00 0.00 0.00 60.65 61.49 1jfm s ILE 31 Cb 0.00 -4.42 0.03 0.00 0.01 0.00 0.00 42.46 38.07 1jfm s ILE 31 CO 0.00 -0.72 0.93 -0.22 0.00 0.00 0.00 174.94 174.93 1jfm s LEU 32 N 3.76 4.00 -0.03 2.97 0.20 -1.26 -2.35 118.68 125.96 1jfm s LEU 32 Ca 0.40 0.18 -0.12 0.00 0.69 0.00 0.00 54.13 55.27 1jfm s LEU 32 Cb -0.10 -3.21 -0.32 0.00 -0.43 0.00 0.00 46.19 42.13 1jfm s LEU 32 CO 0.23 -1.03 0.76 0.40 -0.29 0.00 0.00 176.35 176.42 1jfm h ILE 33 N 6.05 1.03 -2.54 6.68 2.04 -1.54 -3.48 117.51 125.75 1jfm h ILE 33 Ca -0.24 -2.57 -0.09 0.00 1.00 0.00 0.00 64.86 62.96 1jfm h ILE 33 Cb 1.08 2.84 -0.22 0.00 -0.74 0.00 0.00 36.82 39.78 1jfm h ILE 33 CO 1.02 0.85 -0.10 -0.22 0.00 0.00 0.00 178.15 179.70 1jfm s LEU 34 N -7.38 0.12 -0.11 1.44 0.20 -1.21 -4.79 118.68 106.95 1jfm s LEU 34 Ca -0.14 0.73 -0.04 0.00 0.69 0.00 0.00 54.13 55.37 1jfm s LEU 34 Cb 0.05 1.78 0.06 0.00 -0.43 0.00 0.00 46.19 47.64 1jfm s LEU 34 CO 0.88 -0.33 0.18 -2.28 -0.29 0.00 0.00 176.35 174.52 1jfm s HIS 35 N -0.41 -0.23 0.17 5.38 5.65 -1.26 -1.64 115.29 122.96 1jfm s HIS 35 Ca -0.05 0.62 0.04 0.00 0.25 0.00 0.00 55.06 55.91 1jfm s HIS 35 Cb -0.03 -0.24 -0.05 0.00 -1.18 0.00 0.00 32.58 31.08 1jfm s HIS 35 CO 0.03 -0.33 -0.06 -0.51 -0.65 0.00 0.00 174.74 173.22 1jfm s LEU 36 N 2.32 2.39 0.00 8.88 1.43 -0.58 -4.67 118.68 128.44 1jfm s LEU 36 Ca 0.03 -1.09 -0.09 0.00 -1.03 0.00 0.00 54.13 51.96 1jfm s LEU 36 Cb -0.13 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1jfm s LEU 36 CO -0.07 -0.42 0.39 -1.54 0.23 0.00 0.00 176.35 174.95 1jfm n SER 37 N -0.25 -0.35 -0.12 2.29 3.41 -1.26 -1.37 113.62 115.97 1jfm n SER 37 Ca -0.08 -1.06 -0.12 0.00 -0.26 0.00 0.00 58.87 57.35 1jfm n SER 37 Cb 0.62 0.54 0.01 0.00 -0.26 0.00 0.00 64.21 65.12 1jfm n SER 37 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1jfm h ASN 38 N 0.60 0.96 -1.36 4.04 4.21 -1.85 -2.95 115.58 119.23 1jfm h ASN 38 Ca -0.06 -0.40 -0.65 0.00 1.21 0.00 0.00 56.30 56.39 1jfm h ASN 38 Cb 0.36 -0.27 -0.18 0.00 -1.12 0.00 0.00 38.32 37.11 1jfm h ASN 38 CO 0.09 1.19 1.18 -0.38 -1.29 0.00 0.00 177.43 178.22 1jfm n ILE 39 N -4.08 4.28 0.00 2.81 5.41 -1.26 -4.99 119.36 121.54 1jfm n ILE 39 Ca -0.01 -3.94 0.00 0.00 1.00 0.00 0.00 62.75 59.80 1jfm n ILE 39 Cb 0.51 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1jfm n ILE 39 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1jfm n ASN 40 N 0.82 0.00 -0.06 4.38 2.04 -1.12 -4.98 115.26 116.35 1jfm n ASN 40 Ca 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.68 1jfm n ASN 40 Cb 0.38 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 1jfm n ASN 40 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1jfm n LYS 41 N -0.02 0.00 -3.27 -3.83 4.76 -1.26 -4.23 118.16 110.31 1jfm n LYS 41 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jfm n LYS 41 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1jfm n LYS 41 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1jfm n THR 42 N -0.12 0.00 -4.10 -0.18 -2.24 -1.26 -5.02 114.28 101.36 1jfm n THR 42 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1jfm n THR 42 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1jfm n THR 42 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1jfm s MET 43 N -0.54 0.62 0.03 -0.78 -1.94 -1.26 -5.05 119.30 110.38 1jfm s MET 43 Ca 0.00 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.08 1jfm s MET 43 Cb 0.00 -0.31 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 1jfm s MET 43 CO 0.00 0.04 0.08 0.99 -0.01 0.00 0.00 175.02 176.12 1jfm s THR 44 N -1.90 4.65 0.35 2.05 2.01 -1.26 -5.12 115.64 116.41 1jfm s THR 44 Ca -0.04 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 1jfm s THR 44 Cb -0.06 -3.17 0.05 0.00 0.01 0.00 0.00 72.50 69.32 1jfm s THR 44 CO -0.01 0.27 0.78 -0.94 -0.69 0.00 0.00 174.62 174.03 1jfm s SER 45 N -1.98 -0.07 0.00 3.53 1.04 -1.26 -5.02 113.70 109.94 1jfm s SER 45 Ca 0.25 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1jfm s SER 45 Cb -0.12 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1jfm s SER 45 CO 0.17 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1jfm n GLY 46 N -0.51 -0.14 0.00 7.32 0.00 -1.26 -4.99 105.19 105.60 1jfm n GLY 46 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1jfm n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfm n ASP 47 N 0.00 0.57 0.05 1.61 8.00 -1.26 -4.97 116.55 120.55 1jfm n ASP 47 Ca 0.00 -0.67 -0.02 0.00 0.71 0.00 0.00 54.79 54.81 1jfm n ASP 47 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1jfm n ASP 47 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1jfm h PRO 48 N 0.00 -0.12 -0.26 -0.24 0.13 -1.99 -3.41 132.00 126.10 1jfm h PRO 48 Ca 0.00 0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 64.93 1jfm h PRO 48 Cb 0.00 0.03 -0.34 0.00 0.13 0.00 0.00 31.00 30.82 1jfm h PRO 48 CO 0.00 -0.08 -0.92 0.41 -0.23 0.00 0.00 178.00 177.18 1jfm n GLY 49 N -0.96 1.63 0.00 1.56 0.00 -1.26 -4.84 105.19 101.31 1jfm n GLY 49 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1jfm n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jfm n GLU 50 N -0.55 0.00 0.00 1.61 1.02 -1.26 -4.48 120.64 116.98 1jfm n GLU 50 Ca 0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1jfm n GLU 50 Cb 0.87 0.00 0.85 0.00 -0.02 0.00 0.00 31.44 33.14 1jfm n GLU 50 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jfm n THR 51 N -0.12 0.00 0.67 2.62 -2.24 -1.26 0.45 114.28 114.40 1jfm n THR 51 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1jfm n THR 51 Cb 0.00 -0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 67.65 1jfm n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jfm n ALA 52 N -0.99 3.85 -0.04 6.98 0.00 -1.26 -4.12 120.51 124.92 1jfm n ALA 52 Ca 0.21 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 1jfm n ALA 52 Cb 0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1jfm n ALA 52 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jfm n ASN 53 N -1.80 3.31 -0.28 0.00 4.05 -0.62 -4.48 115.26 115.45 1jfm n ASN 53 Ca 0.02 -0.04 0.21 0.00 0.45 0.00 0.00 54.58 55.21 1jfm n ASN 53 Cb 0.41 -0.02 0.51 0.00 1.23 0.00 0.00 39.78 41.91 1jfm n ASN 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jfm h ALA 54 N 0.05 2.21 -0.74 5.20 0.00 -0.21 0.59 119.26 126.36 1jfm h ALA 54 Ca -0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1jfm h ALA 54 Cb 1.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1jfm h ALA 54 CO -0.02 -0.55 0.37 1.79 0.00 0.00 0.00 179.25 180.84 1jfm h THR 55 N 0.41 1.23 -0.51 0.00 1.35 -1.80 1.11 112.91 114.71 1jfm h THR 55 Ca 0.52 -0.64 0.10 0.00 -0.55 0.00 0.00 66.41 65.85 1jfm h THR 55 Cb 1.31 0.30 -0.10 0.00 -1.73 0.00 0.00 68.15 67.92 1jfm h THR 55 CO -0.23 0.27 -0.18 -0.33 -0.25 0.00 0.00 175.52 174.81 1jfm h GLU 56 N 1.03 -0.06 -0.17 4.72 4.39 -0.04 1.01 114.58 125.46 1jfm h GLU 56 Ca 0.26 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.87 1jfm h GLU 56 Cb 0.09 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1jfm h GLU 56 CO -0.04 -0.04 -0.26 0.28 -1.16 0.00 0.00 179.01 177.79 1jfm h VAL 57 N -0.07 1.35 -0.60 3.13 2.07 -1.04 -2.79 116.25 118.30 1jfm h VAL 57 Ca 0.24 -1.48 0.07 0.00 0.82 0.00 0.00 66.70 66.35 1jfm h VAL 57 Cb 0.44 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 1jfm h VAL 57 CO -0.55 0.45 0.27 0.50 0.02 0.00 0.00 177.57 178.25 1jfm h LYS 58 N 0.11 0.48 -0.72 1.57 3.64 0.24 -0.58 116.57 121.32 1jfm h LYS 58 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jfm h LYS 58 Cb 0.83 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1jfm h LYS 58 CO 0.06 0.32 0.46 0.87 -2.27 0.00 0.00 179.45 178.89 1jfm h LYS 59 N 0.50 0.96 -0.52 1.90 1.57 0.10 -1.34 116.57 119.73 1jfm h LYS 59 Ca 0.29 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1jfm h LYS 59 Cb 0.28 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1jfm h LYS 59 CO -0.24 0.66 0.06 0.00 -0.57 0.00 0.00 179.45 179.35 1jfm h LEU 61 N 0.77 0.00 0.06 0.00 3.38 -0.92 -3.40 115.31 115.19 1jfm h LEU 61 Ca 0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1jfm h LEU 61 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1jfm h LEU 61 CO 0.02 0.12 -0.30 0.74 0.09 0.00 0.00 178.44 179.10 1jfm h THR 62 N 0.00 0.00 0.14 0.22 2.02 -1.34 -1.60 112.91 112.35 1jfm h THR 62 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1jfm h THR 62 Cb 1.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1jfm h THR 62 CO 0.01 0.00 -0.07 1.56 0.37 0.00 0.00 175.52 177.40 1jfm h GLN 63 N -0.42 -0.18 -0.90 6.66 1.08 -1.80 -0.64 115.11 118.90 1jfm h GLN 63 Ca -0.00 0.01 0.23 0.00 -1.45 0.00 0.00 58.65 57.44 1jfm h GLN 63 Cb 0.43 0.04 -0.16 0.00 -0.05 0.00 0.00 27.48 27.74 1jfm h GLN 63 CO -0.17 0.09 0.02 -1.35 -0.95 0.00 0.00 178.83 176.46 1jfm h PRO 64 N -0.44 0.06 -0.11 1.46 0.11 -1.77 0.65 132.00 131.96 1jfm h PRO 64 Ca -0.02 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1jfm h PRO 64 Cb 0.35 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1jfm h PRO 64 CO 0.03 0.04 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.75 1jfm h LEU 65 N 0.06 0.22 -0.95 2.35 3.38 -1.19 0.22 115.31 119.40 1jfm h LEU 65 Ca 0.52 -0.39 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1jfm h LEU 65 Cb 1.01 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 1jfm h LEU 65 CO -0.82 0.56 0.57 0.11 0.09 0.00 0.00 178.44 178.95 1jfm h LYS 66 N -0.12 0.83 -0.50 1.13 1.57 0.92 0.92 116.57 121.32 1jfm h LYS 66 Ca 0.03 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1jfm h LYS 66 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1jfm h LYS 66 CO 0.01 0.55 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.42 1jfm h ASN 67 N 0.86 0.98 0.24 0.86 2.35 0.41 -2.70 115.58 118.58 1jfm h ASN 67 Ca 0.49 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1jfm h ASN 67 Cb 0.57 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1jfm h ASN 67 CO -0.30 1.11 -0.12 0.25 -1.65 0.00 0.00 177.43 176.72 1jfm h LEU 68 N 0.83 -0.28 -2.03 1.61 6.46 0.13 -1.88 115.31 120.15 1jfm h LEU 68 Ca 0.13 -0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1jfm h LEU 68 Cb 0.68 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1jfm h LEU 68 CO 0.05 -0.07 0.38 0.00 -0.62 0.00 0.00 178.44 178.18 1jfm h GLN 70 N 0.00 -0.60 -0.86 0.00 1.08 -1.01 -1.40 115.11 112.31 1jfm h GLN 70 Ca 0.14 0.04 0.18 0.00 -1.45 0.00 0.00 58.65 57.56 1jfm h GLN 70 Cb 0.89 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 28.40 1jfm h GLN 70 CO -0.00 -0.40 0.57 -0.22 -0.95 0.00 0.00 178.83 177.83 1jfm h LYS 71 N -0.94 0.46 0.37 1.46 3.11 -0.48 -2.42 116.57 118.14 1jfm h LYS 71 Ca -0.06 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 1jfm h LYS 71 Cb 0.48 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 1jfm h LYS 71 CO 0.10 0.31 -0.18 -0.07 -2.81 0.00 0.00 179.45 176.80 1jfm h LEU 72 N 0.48 -0.43 -1.94 5.20 3.38 -0.72 -2.32 115.31 118.96 1jfm h LEU 72 Ca 0.44 -0.14 0.32 0.00 0.09 0.00 0.00 57.88 58.59 1jfm h LEU 72 Cb 0.99 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1jfm h LEU 72 CO -0.17 -0.02 0.84 -0.09 0.09 0.00 0.00 178.44 179.08 1jfm h ARG 73 N -0.92 0.00 0.59 1.13 2.43 -0.76 0.41 114.38 117.27 1jfm h ARG 73 Ca -0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1jfm h ARG 73 Cb 0.54 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1jfm h ARG 73 CO 0.08 0.00 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.35 1jfm h ASN 74 N 0.00 -0.67 -0.72 -3.80 2.35 -1.28 -3.08 115.58 108.38 1jfm h ASN 74 Ca 0.52 0.02 0.15 0.00 -0.55 0.00 0.00 56.30 56.45 1jfm h ASN 74 Cb 2.19 0.17 -0.13 0.00 0.05 0.00 0.00 38.32 40.61 1jfm h ASN 74 CO -0.01 -0.31 -0.07 0.50 -1.65 0.00 0.00 177.43 175.90 1jfm h LYS 75 N -1.14 0.05 0.00 0.81 1.63 -0.39 0.48 116.57 118.03 1jfm h LYS 75 Ca -0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1jfm h LYS 75 Cb 0.61 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1jfm h LYS 75 CO 0.13 0.04 0.00 -0.39 -3.45 0.00 0.00 179.45 175.78 1jfm h VAL 76 N 0.06 0.00 0.09 2.00 -1.51 -1.45 -2.28 116.25 113.17 1jfm h VAL 76 Ca 0.37 -0.24 -0.37 0.00 -1.23 0.00 0.00 66.70 65.24 1jfm h VAL 76 Cb 0.61 1.03 -0.03 0.00 -2.13 0.00 0.00 31.29 30.78 1jfm h VAL 76 CO -0.68 0.00 -2.07 -1.20 -1.23 0.00 0.00 177.57 172.39 1jfm n SER 77 N -2.60 2.08 -0.71 4.19 7.64 0.14 -4.04 113.62 120.32 1jfm n SER 77 Ca 0.00 0.15 0.02 0.00 1.01 0.00 0.00 58.87 60.05 1jfm n SER 77 Cb 0.19 -0.77 0.09 0.00 -1.01 0.00 0.00 64.21 62.70 1jfm n SER 77 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1jfm n ASN 78 N -3.50 1.82 -3.54 6.43 6.94 0.72 -4.60 115.26 119.54 1jfm n ASN 78 Ca -0.35 -2.17 -0.18 0.00 -0.02 0.00 0.00 54.58 51.86 1jfm n ASN 78 Cb 1.01 -0.46 -0.14 0.00 -2.36 0.00 0.00 39.78 37.84 1jfm n ASN 78 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jfm s THR 79 N -1.46 -0.31 0.32 5.53 2.01 -0.88 -5.02 115.64 115.83 1jfm s THR 79 Ca 0.12 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1jfm s THR 79 Cb 0.08 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 72.02 1jfm s THR 79 CO 0.04 -0.14 0.27 2.29 -0.69 0.00 0.00 174.62 176.39 1jfm n LYS 80 N 5.32 0.99 0.00 4.92 2.85 -1.26 -4.74 118.16 126.24 1jfm n LYS 80 Ca -0.05 -1.97 0.00 0.00 -1.05 0.00 0.00 58.31 55.23 1jfm n LYS 80 Cb 0.50 0.17 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 1jfm n LYS 80 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1jfm n VAL 81 N -1.31 0.00 -3.77 0.58 0.24 -1.26 -5.11 118.33 107.70 1jfm n VAL 81 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 1jfm n VAL 81 Cb 0.36 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.60 1jfm n VAL 81 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1jfm s ASP 82 N 1.42 5.05 0.31 -1.34 -4.77 -1.26 -5.09 116.67 110.99 1jfm s ASP 82 Ca 0.00 -0.25 -0.28 0.00 -3.30 0.00 0.00 52.55 48.72 1jfm s ASP 82 Cb 0.00 -1.90 -0.13 0.00 -1.09 0.00 0.00 42.92 39.79 1jfm s ASP 82 CO 0.00 -0.04 1.03 0.41 0.70 0.00 0.00 175.17 177.27 1jfm n THR 83 N 4.91 2.03 -2.18 2.11 -1.04 -1.26 -5.00 114.28 113.85 1jfm n THR 83 Ca -0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1jfm n THR 83 Cb 0.51 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1jfm n THR 83 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfm n HIS 84 N 0.14 0.00 0.00 -1.42 1.44 -1.26 -5.13 115.22 108.99 1jfm n HIS 84 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1jfm n HIS 84 Cb 0.33 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.44 1jfm n HIS 84 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1jfm n LYS 85 N 0.00 0.00 -3.77 -1.40 4.76 -1.26 -4.99 118.16 111.51 1jfm n LYS 85 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 1jfm n LYS 85 Cb 0.00 -0.15 -0.06 0.00 -1.84 0.00 0.00 35.03 32.98 1jfm n LYS 85 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1jfm s THR 86 N 0.00 5.36 -0.35 -0.18 -1.32 -1.26 -5.08 115.64 112.82 1jfm s THR 86 Ca 0.00 0.39 -0.24 0.00 -1.21 0.00 0.00 61.69 60.63 1jfm s THR 86 Cb 0.00 -3.49 0.01 0.00 -1.51 0.00 0.00 72.50 67.50 1jfm s THR 86 CO 0.00 0.60 0.82 0.20 -2.21 0.00 0.00 174.62 174.03 1jfm s ASN 87 N -1.06 6.62 -0.35 8.08 -0.87 -1.26 -4.96 114.94 121.13 1jfm s ASN 87 Ca 0.18 0.51 0.02 0.00 -1.57 0.00 0.00 52.86 51.99 1jfm s ASN 87 Cb -0.13 -2.42 0.15 0.00 -0.02 0.00 0.00 41.25 38.83 1jfm s ASN 87 CO 0.07 -0.73 0.32 -0.83 -2.57 0.00 0.00 177.10 173.36 1jfm s GLY 88 N 1.78 0.16 0.10 0.66 0.00 -1.26 -5.12 107.32 103.64 1jfm s GLY 88 Ca 0.33 -1.06 -0.25 0.00 0.00 0.00 0.00 44.72 43.74 1jfm s GLY 88 CO 0.16 2.56 0.55 -1.72 0.00 0.00 0.00 173.10 174.65 1jfm n TYR 89 N 4.42 -0.07 -0.63 1.90 0.53 -1.26 -4.77 117.16 117.28 1jfm n TYR 89 Ca 0.08 0.77 -0.22 0.00 -1.02 0.00 0.00 57.90 57.52 1jfm n TYR 89 Cb 0.43 -1.55 0.02 0.00 -1.03 0.00 0.00 39.34 37.22 1jfm n TYR 89 CO 0.00 0.00 0.00 -2.30 -1.02 0.00 0.00 176.86 173.54 1jfm n PRO 90 N 0.91 0.00 -3.62 -0.72 -0.02 -1.26 -4.33 135.00 125.96 1jfm n PRO 90 Ca 0.14 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.25 1jfm n PRO 90 Cb 0.15 -0.60 -0.11 0.00 -0.02 0.00 0.00 33.50 32.92 1jfm n PRO 90 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1jfm s HIS 91 N -1.19 3.25 -0.02 6.00 2.46 -1.26 -4.37 115.29 120.14 1jfm s HIS 91 Ca 0.26 0.14 0.03 0.00 0.47 0.00 0.00 55.06 55.95 1jfm s HIS 91 Cb -0.15 -2.34 -0.03 0.00 -0.13 0.00 0.00 32.58 29.93 1jfm s HIS 91 CO 0.47 -0.09 -0.08 -1.17 -2.47 0.00 0.00 174.74 171.40 1jfm s LEU 92 N 1.53 3.09 -0.27 8.88 2.96 0.18 0.40 118.68 135.45 1jfm s LEU 92 Ca 0.07 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1jfm s LEU 92 Cb -0.15 -1.73 0.09 0.00 0.50 0.00 0.00 46.19 44.90 1jfm s LEU 92 CO 0.09 0.31 0.10 -1.58 -1.32 0.00 0.00 176.35 173.95 1jfm s GLN 93 N -1.15 0.38 -0.09 1.98 2.00 0.45 -0.32 119.66 122.91 1jfm s GLN 93 Ca 0.15 -0.60 -0.07 0.00 -2.00 0.00 0.00 55.36 52.84 1jfm s GLN 93 Cb -0.11 -1.60 -0.04 0.00 0.80 0.00 0.00 33.01 32.06 1jfm s GLN 93 CO 0.05 -0.91 0.17 0.08 -0.50 0.00 0.00 175.29 174.17 1jfm s VAL 94 N 1.94 5.46 -0.15 1.34 1.01 -0.15 -2.51 120.40 127.35 1jfm s VAL 94 Ca 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1jfm s VAL 94 Cb -0.16 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.80 1jfm s VAL 94 CO -0.26 0.55 -0.02 -0.89 0.00 0.00 0.00 175.10 174.47 1jfm s THR 95 N -1.10 0.82 -0.08 3.92 2.01 -0.34 -0.61 115.64 120.26 1jfm s THR 95 Ca 0.18 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1jfm s THR 95 Cb -0.12 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1jfm s THR 95 CO 0.08 0.11 0.10 -0.32 -0.69 0.00 0.00 174.62 173.89 1jfm s MET 96 N 1.76 3.25 -0.24 4.92 -2.45 -0.12 -0.35 119.30 126.07 1jfm s MET 96 Ca 0.02 -0.28 -0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1jfm s MET 96 Cb -0.15 -3.02 0.07 0.00 1.25 0.00 0.00 34.83 32.98 1jfm s MET 96 CO -0.07 0.73 -0.01 0.42 1.05 0.00 0.00 175.02 177.14 1jfm s ILE 97 N -1.04 1.24 -0.42 10.11 1.01 -0.30 -0.77 121.20 131.03 1jfm s ILE 97 Ca 0.17 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 1jfm s ILE 97 Cb -0.12 -1.64 0.06 0.00 0.01 0.00 0.00 42.46 40.77 1jfm s ILE 97 CO 0.07 -0.22 0.29 -0.47 0.00 0.00 0.00 174.94 174.61 1jfm s TYR 98 N 1.51 3.27 0.99 3.97 5.04 0.36 -2.36 117.35 130.13 1jfm s TYR 98 Ca -0.02 -1.10 -0.16 0.00 -2.44 0.00 0.00 57.07 53.35 1jfm s TYR 98 Cb -0.18 -2.85 0.21 0.00 0.35 0.00 0.00 41.96 39.49 1jfm s TYR 98 CO -0.09 -0.75 1.30 -2.14 -1.34 0.00 0.00 175.55 172.53 1jfm s PRO 99 N 1.55 0.43 0.00 4.97 0.02 -1.26 -0.52 135.00 140.19 1jfm s PRO 99 Ca 0.03 -0.39 0.00 0.00 0.02 0.00 0.00 61.00 60.67 1jfm s PRO 99 Cb -0.22 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1jfm s PRO 99 CO 0.06 -2.56 0.00 0.94 -0.33 0.00 0.00 177.00 175.11 1jfm n GLN 100 N -3.87 2.50 0.00 5.54 7.27 -1.26 -4.83 117.38 122.72 1jfm n GLN 100 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.22 1jfm n GLN 100 Cb 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.24 1jfm n GLN 100 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1jfm n SER 101 N 0.00 0.00 0.00 1.69 2.88 -1.26 -4.75 113.62 112.18 1jfm n SER 101 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jfm n SER 101 Cb 0.00 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1jfm n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jfm n GLN 102 N -1.74 0.00 0.02 -1.46 10.64 -1.26 -3.75 117.38 119.83 1jfm n GLN 102 Ca 0.00 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1jfm n GLN 102 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1jfm n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jfm n GLY 103 N 0.00 0.04 0.00 2.61 0.00 -1.26 -5.16 105.19 101.42 1jfm n GLY 103 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jfm n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfm n ARG 104 N -2.96 0.00 -0.33 1.61 1.74 -1.25 -5.03 116.66 110.44 1jfm n ARG 104 Ca -0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1jfm n ARG 104 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1jfm n ARG 104 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jfm n THR 105 N 0.00 0.00 -1.55 0.55 -2.24 -1.26 -4.48 114.28 105.30 1jfm n THR 105 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1jfm n THR 105 Cb 0.00 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.06 1jfm n THR 105 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1jfm n PRO 106 N 1.89 0.79 -3.46 -0.78 -0.02 -1.26 -4.81 135.00 127.35 1jfm n PRO 106 Ca 0.15 -0.27 -0.19 0.00 -2.02 0.00 0.00 63.50 61.16 1jfm n PRO 106 Cb 0.00 -3.34 -0.01 0.00 -0.02 0.00 0.00 33.50 30.14 1jfm n PRO 106 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jfm s SER 107 N 11.29 5.90 0.11 2.55 1.04 -1.26 -4.87 113.70 128.44 1jfm s SER 107 Ca 1.00 -0.23 -0.25 0.00 0.48 0.00 0.00 55.95 56.95 1jfm s SER 107 Cb -0.25 -1.17 0.08 0.00 0.10 0.00 0.00 66.02 64.78 1jfm s SER 107 CO 0.23 -0.45 0.67 0.00 0.98 0.00 0.00 173.24 174.66 1jfm s ALA 108 N -2.20 -1.66 -0.05 5.32 0.00 -1.26 -4.12 121.76 117.79 1jfm s ALA 108 Ca 0.45 0.68 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1jfm s ALA 108 Cb -0.09 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 1jfm s ALA 108 CO 0.31 -0.71 -0.05 0.95 0.00 0.00 0.00 175.76 176.26 1jfm s THR 109 N -3.37 3.83 -0.28 0.00 -4.23 -1.00 -2.75 115.64 107.84 1jfm s THR 109 Ca 0.01 -0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1jfm s THR 109 Cb -0.01 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1jfm s THR 109 CO -0.10 0.55 -0.01 0.26 -0.54 0.00 0.00 174.62 174.78 1jfm s TRP 110 N -0.87 3.16 -0.30 3.99 0.52 0.02 -1.15 118.94 124.30 1jfm s TRP 110 Ca 0.14 -1.58 -0.10 0.00 0.02 0.00 0.00 56.10 54.57 1jfm s TRP 110 Cb -0.11 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1jfm s TRP 110 CO 0.03 -0.74 0.17 -1.21 0.02 0.00 0.00 176.95 175.23 1jfm s GLU 111 N 1.33 3.54 0.07 4.98 2.02 0.53 -0.09 118.70 131.07 1jfm s GLU 111 Ca -0.02 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 1jfm s GLU 111 Cb -0.18 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1jfm s GLU 111 CO -0.02 -0.34 0.23 -0.06 0.02 0.00 0.00 175.26 175.09 1jfm s PHE 112 N 1.67 3.52 -0.15 1.61 0.40 0.55 -1.20 117.98 124.38 1jfm s PHE 112 Ca 0.06 0.29 -0.05 0.00 -0.60 0.00 0.00 56.93 56.63 1jfm s PHE 112 Cb -0.17 -1.79 0.07 0.00 0.51 0.00 0.00 43.02 41.64 1jfm s PHE 112 CO 0.08 0.58 0.30 1.21 0.70 0.00 0.00 175.22 178.09 1jfm s ASN 113 N -2.47 0.19 -0.09 1.36 3.84 -1.04 -2.98 114.94 113.76 1jfm s ASN 113 Ca 0.35 0.70 0.04 0.00 0.21 0.00 0.00 52.86 54.16 1jfm s ASN 113 Cb -0.13 0.87 -0.01 0.00 -0.55 0.00 0.00 41.25 41.43 1jfm s ASN 113 CO 0.27 -0.24 -0.23 -0.63 -2.79 0.00 0.00 177.10 173.49 1jfm s ILE 114 N 2.46 2.21 -1.12 -5.21 1.01 -0.57 -0.42 121.20 119.56 1jfm s ILE 114 Ca 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 1jfm s ILE 114 Cb -0.12 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.56 1jfm s ILE 114 CO -0.10 0.56 0.13 -1.20 0.00 0.00 0.00 174.94 174.34 1jfm n SER 115 N 3.32 0.03 -0.93 3.58 7.64 0.16 -0.13 113.62 127.28 1jfm n SER 115 Ca -0.18 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1jfm n SER 115 Cb 0.53 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1jfm n SER 115 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jfm n ASP 116 N -1.70 -0.01 -0.08 6.43 9.92 -1.26 -4.61 116.55 125.23 1jfm n ASP 116 Ca -0.12 0.01 -0.17 0.00 -0.53 0.00 0.00 54.79 53.97 1jfm n ASP 116 Cb 0.42 -0.46 -0.06 0.00 -0.64 0.00 0.00 41.12 40.38 1jfm n ASP 116 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jfm n SER 117 N 0.88 1.17 -4.75 -2.24 7.64 0.81 -5.03 113.62 112.12 1jfm n SER 117 Ca 0.00 0.19 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 1jfm n SER 117 Cb 0.01 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 1jfm n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1jfm s TYR 118 N -2.30 3.25 0.02 1.43 1.51 -0.97 -4.95 117.35 115.34 1jfm s TYR 118 Ca -0.23 0.23 -0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1jfm s TYR 118 Cb 0.09 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 1jfm s TYR 118 CO 0.29 0.53 0.02 -0.06 -1.11 0.00 0.00 175.55 175.22 1jfm s PHE 119 N -1.05 0.21 -0.01 2.71 0.08 -1.26 -1.52 117.98 117.14 1jfm s PHE 119 Ca 0.18 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.50 1jfm s PHE 119 Cb -0.12 -0.16 0.10 0.00 -0.57 0.00 0.00 43.02 42.28 1jfm s PHE 119 CO 0.08 -0.23 0.90 -0.59 -0.10 0.00 0.00 175.22 175.27 1jfm s PHE 120 N -1.60 -0.34 0.04 0.36 -0.71 -1.16 -2.97 117.98 111.60 1jfm s PHE 120 Ca -0.14 0.21 0.02 0.00 -1.04 0.00 0.00 56.93 55.98 1jfm s PHE 120 Cb -0.08 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1jfm s PHE 120 CO -0.01 -0.53 -0.08 0.99 -1.34 0.00 0.00 175.22 174.25 1jfm s THR 121 N -3.09 0.53 -0.19 -4.49 2.01 0.13 -0.33 115.64 110.20 1jfm s THR 121 Ca 0.05 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 1jfm s THR 121 Cb -0.01 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.93 1jfm s THR 121 CO -0.09 -0.32 -0.16 0.12 -0.69 0.00 0.00 174.62 173.48 1jfm s PHE 122 N -1.23 2.83 -0.19 4.92 5.99 0.87 -2.16 117.98 129.01 1jfm s PHE 122 Ca -0.09 -1.45 -0.08 0.00 0.00 0.00 0.00 56.93 55.32 1jfm s PHE 122 Cb -0.09 -1.97 -0.04 0.00 0.00 0.00 0.00 43.02 40.92 1jfm s PHE 122 CO 0.00 -0.73 0.08 0.71 -0.00 0.00 0.00 175.22 175.28 1jfm s TYR 123 N 1.34 3.27 -0.00 10.12 1.51 -0.67 -0.80 117.35 132.11 1jfm s TYR 123 Ca 0.05 0.10 0.11 0.00 -1.01 0.00 0.00 57.07 56.32 1jfm s TYR 123 Cb -0.13 -2.12 -0.21 0.00 -0.11 0.00 0.00 41.96 39.39 1jfm s TYR 123 CO -0.10 0.14 0.87 1.79 -1.11 0.00 0.00 175.55 177.13 1jfm h THR 124 N 4.89 1.07 0.00 -0.71 1.35 -1.82 -2.26 112.91 115.43 1jfm h THR 124 Ca -0.38 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 62.63 1jfm h THR 124 Cb 1.17 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 1jfm h THR 124 CO 0.70 0.61 0.24 1.21 -0.25 0.00 0.00 175.52 178.04 1jfm n GLU 125 N -3.13 0.00 -1.93 4.72 2.13 -1.26 -1.83 120.64 119.34 1jfm n GLU 125 Ca -0.11 0.14 -0.01 0.00 0.66 0.00 0.00 57.16 57.84 1jfm n GLU 125 Cb 1.00 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1jfm n GLU 125 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1jfm n ASN 126 N -1.08 -0.43 -2.81 4.31 2.04 -1.26 -5.02 115.26 111.02 1jfm n ASN 126 Ca 0.00 -1.27 0.00 0.00 -0.44 0.00 0.00 54.58 52.87 1jfm n ASN 126 Cb 0.24 0.34 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 1jfm n ASN 126 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1jfm n MET 127 N -0.27 -0.57 -4.36 -3.83 2.81 -0.76 -4.93 117.12 105.22 1jfm n MET 127 Ca -0.10 -0.28 -0.25 0.00 -1.81 0.00 0.00 57.70 55.26 1jfm n MET 127 Cb 0.57 0.50 -0.09 0.00 -0.71 0.00 0.00 33.22 33.49 1jfm n MET 127 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jfm s SER 128 N -3.31 3.98 -0.08 7.83 1.04 -0.86 -4.99 113.70 117.31 1jfm s SER 128 Ca 0.00 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.68 1jfm s SER 128 Cb 0.00 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.59 1jfm s SER 128 CO 0.00 0.07 -0.11 0.26 0.98 0.00 0.00 173.24 174.44 1jfm s TRP 129 N -2.04 1.41 0.16 5.02 0.52 -1.26 -1.68 118.94 121.07 1jfm s TRP 129 Ca 0.27 -0.56 0.11 0.00 0.02 0.00 0.00 56.10 55.94 1jfm s TRP 129 Cb -0.07 -1.08 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 1jfm s TRP 129 CO 0.15 -0.33 -0.25 1.03 0.02 0.00 0.00 176.95 177.57 1jfm s ARG 130 N 0.93 1.43 0.40 4.98 0.52 -0.92 -4.99 118.95 121.30 1jfm s ARG 130 Ca -0.10 -1.42 0.03 0.00 -0.52 0.00 0.00 55.73 53.72 1jfm s ARG 130 Cb -0.15 -1.82 -0.01 0.00 0.52 0.00 0.00 34.95 33.49 1jfm s ARG 130 CO 0.01 0.41 0.11 -1.13 0.02 0.00 0.00 175.30 174.72 1jfm n SER 131 N 0.61 1.64 -0.09 0.23 3.41 -1.26 -0.70 113.62 117.47 1jfm n SER 131 Ca -0.15 -3.01 -0.13 0.00 -0.26 0.00 0.00 58.87 55.31 1jfm n SER 131 Cb 0.55 0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 65.24 1jfm n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfm n ALA 132 N -1.28 1.65 -2.56 7.33 0.00 -1.16 -4.93 120.51 119.56 1jfm n ALA 132 Ca -0.16 -0.74 -0.26 0.00 0.00 0.00 0.00 53.44 52.28 1jfm n ALA 132 Cb 0.57 0.13 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 1jfm n ALA 132 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jfm s ASN 133 N -5.84 3.13 0.16 0.00 0.01 -1.26 -5.01 114.94 106.13 1jfm s ASN 133 Ca -0.24 -1.51 0.24 0.00 -0.71 0.00 0.00 52.86 50.64 1jfm s ASN 133 Cb 0.07 0.14 0.23 0.00 0.41 0.00 0.00 41.25 42.09 1jfm s ASN 133 CO 0.39 -0.71 1.24 0.44 -1.51 0.00 0.00 177.10 176.95 1jfm h ASP 134 N 1.81 0.00 -0.29 -1.22 5.19 -1.97 -1.69 116.42 118.24 1jfm h ASP 134 Ca -0.41 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 55.75 1jfm h ASP 134 Cb 1.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1jfm h ASP 134 CO 0.69 0.07 -0.22 -0.33 -3.12 0.00 0.00 179.24 176.33 1jfm h GLU 135 N 0.00 0.77 0.15 3.56 3.07 -1.99 -1.43 114.58 118.70 1jfm h GLU 135 Ca 0.00 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1jfm h GLU 135 Cb 0.84 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1jfm h GLU 135 CO 0.00 0.92 -0.07 0.77 -1.40 0.00 0.00 179.01 179.23 1jfm h SER 136 N 0.67 -0.17 -1.11 1.42 0.02 -1.86 -3.29 113.55 109.23 1jfm h SER 136 Ca 0.09 -0.29 0.37 0.00 -0.84 0.00 0.00 61.79 61.13 1jfm h SER 136 Cb 0.73 0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.17 1jfm h SER 136 CO 0.06 0.41 0.67 1.23 -1.14 0.00 0.00 176.83 178.06 1jfm h GLY 137 N -0.96 1.79 -0.50 -3.77 0.00 -1.25 0.43 103.07 98.81 1jfm h GLY 137 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.24 1jfm h GLY 137 CO 0.03 -0.49 -0.35 -2.08 0.00 0.00 0.00 176.54 173.64 1jfm h VAL 138 N 0.19 0.14 0.24 4.60 2.07 -1.32 0.22 116.25 122.38 1jfm h VAL 138 Ca 0.77 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.28 1jfm h VAL 138 Cb 2.07 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1jfm h VAL 138 CO -0.55 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.33 1jfm h ILE 139 N -0.15 0.81 -0.87 4.57 2.04 -0.34 -3.05 117.51 120.51 1jfm h ILE 139 Ca 0.24 -0.22 0.22 0.00 1.00 0.00 0.00 64.86 66.10 1jfm h ILE 139 Cb 0.56 0.93 -0.13 0.00 -0.74 0.00 0.00 36.82 37.44 1jfm h ILE 139 CO -0.72 0.05 0.31 -0.03 0.00 0.00 0.00 178.15 177.77 1jfm h MET 140 N -0.42 0.30 -0.12 2.37 4.05 -0.27 0.12 114.93 120.96 1jfm h MET 140 Ca -0.03 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 1jfm h MET 140 Cb 0.32 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1jfm h MET 140 CO 0.05 0.20 -0.40 -0.91 0.23 0.00 0.00 176.91 176.08 1jfm h ASN 141 N 0.31 0.28 -0.26 1.39 2.35 -0.95 0.17 115.58 118.86 1jfm h ASN 141 Ca 0.54 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 56.16 1jfm h ASN 141 Cb 1.05 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 1jfm h ASN 141 CO -0.57 0.66 0.10 0.11 -1.65 0.00 0.00 177.43 176.07 1jfm h LYS 142 N 0.23 0.40 -0.04 0.81 1.57 -0.68 -2.50 116.57 116.35 1jfm h LYS 142 Ca 0.02 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1jfm h LYS 142 Cb 0.81 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1jfm h LYS 142 CO 0.06 0.44 -0.56 -1.49 -0.57 0.00 0.00 179.45 177.33 1jfm h TRP 143 N 0.27 0.16 0.00 -1.35 4.06 -1.11 -2.76 115.95 115.22 1jfm h TRP 143 Ca 0.09 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1jfm h TRP 143 Cb 0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1jfm h TRP 143 CO -0.01 0.66 0.00 1.17 -3.56 0.00 0.00 178.44 176.70 1jfm n LYS 144 N -3.89 0.11 0.08 0.49 4.81 0.56 -2.62 118.16 117.70 1jfm n LYS 144 Ca -0.02 0.10 0.06 0.00 -0.87 0.00 0.00 58.31 57.58 1jfm n LYS 144 Cb 0.58 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.11 1jfm n LYS 144 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1jfm h ASP 145 N 0.00 0.00 -2.30 3.14 1.82 -1.14 -3.43 116.42 114.51 1jfm h ASP 145 Ca 0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 1jfm h ASP 145 Cb 0.33 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.27 1jfm h ASP 145 CO 0.00 0.30 1.14 -0.62 -1.61 0.00 0.00 179.24 178.45 1jfm s ASP 146 N -5.72 5.94 0.19 2.28 3.68 -1.08 -4.91 116.67 117.05 1jfm s ASP 146 Ca -0.01 -0.21 -0.12 0.00 2.13 0.00 0.00 52.55 54.34 1jfm s ASP 146 Cb 0.09 -2.55 0.14 0.00 -1.45 0.00 0.00 42.92 39.15 1jfm s ASP 146 CO 0.79 -1.96 1.81 1.23 0.13 0.00 0.00 175.17 177.17 1jfm h GLY 147 N 13.87 0.81 1.48 2.66 0.00 -1.86 -2.32 103.07 117.71 1jfm h GLY 147 Ca -0.27 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1jfm h GLY 147 CO 1.26 0.19 -0.10 -2.09 0.00 0.00 0.00 176.54 175.80 1jfm h GLU 148 N 0.65 0.62 -0.09 4.80 4.81 -1.98 0.20 114.58 123.60 1jfm h GLU 148 Ca 0.24 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1jfm h GLU 148 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1jfm h GLU 148 CO -0.12 0.72 0.05 0.35 -0.73 0.00 0.00 179.01 179.28 1jfm h PHE 149 N 0.57 0.09 -0.28 0.92 3.04 -1.86 0.24 116.94 119.67 1jfm h PHE 149 Ca 0.10 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1jfm h PHE 149 Cb 0.52 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 1jfm h PHE 149 CO 0.02 0.06 -0.15 0.28 -2.02 0.00 0.00 178.31 176.50 1jfm h VAL 150 N 0.11 1.23 0.35 1.41 2.07 -1.01 -2.93 116.25 117.48 1jfm h VAL 150 Ca 0.03 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1jfm h VAL 150 Cb -0.00 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1jfm h VAL 150 CO -0.02 0.34 -0.17 0.11 0.02 0.00 0.00 177.57 177.85 1jfm h LYS 151 N 0.44 -0.46 -0.46 1.57 1.57 0.46 -2.55 116.57 117.14 1jfm h LYS 151 Ca 0.08 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1jfm h LYS 151 Cb 0.52 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.84 1jfm h LYS 151 CO 0.03 -0.31 -0.43 1.96 -0.57 0.00 0.00 179.45 180.13 1jfm h GLN 152 N -0.48 -0.28 -1.09 3.15 4.20 -0.44 0.28 115.11 120.45 1jfm h GLN 152 Ca -0.05 0.02 0.30 0.00 0.06 0.00 0.00 58.65 58.98 1jfm h GLN 152 Cb 0.37 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.13 1jfm h GLN 152 CO 0.07 -0.19 0.71 -0.07 -0.67 0.00 0.00 178.83 178.68 1jfm h LEU 153 N -0.30 0.36 0.13 1.46 3.38 -1.34 0.25 115.31 119.25 1jfm h LEU 153 Ca 0.15 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1jfm h LEU 153 Cb 0.58 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jfm h LEU 153 CO -0.61 0.04 -0.06 0.11 0.09 0.00 0.00 178.44 178.01 1jfm h LYS 154 N 0.30 -0.17 -0.60 1.13 1.57 -0.17 -3.31 116.57 115.31 1jfm h LYS 154 Ca 0.61 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.53 1jfm h LYS 154 Cb 1.73 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.98 1jfm h LYS 154 CO -0.27 -0.08 0.01 0.74 -0.57 0.00 0.00 179.45 179.28 1jfm h PHE 155 N -1.04 -0.02 -0.49 -1.35 0.05 0.06 -0.26 116.94 113.90 1jfm h PHE 155 Ca -0.02 0.04 0.10 0.00 3.82 0.00 0.00 57.97 61.91 1jfm h PHE 155 Cb 0.17 0.10 -0.10 0.00 2.00 0.00 0.00 35.95 38.13 1jfm h PHE 155 CO 0.01 -0.15 -0.21 1.25 -0.18 0.00 0.00 178.31 179.04 1jfm h LEU 156 N 0.13 -0.72 -1.27 1.54 7.12 -0.70 0.55 115.31 121.95 1jfm h LEU 156 Ca 0.31 0.17 -0.07 0.00 0.13 0.00 0.00 57.88 58.43 1jfm h LEU 156 Cb 0.50 0.40 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 1jfm h LEU 156 CO -0.50 -0.24 -0.33 0.40 -0.13 0.00 0.00 178.44 177.64 1jfm h ILE 157 N -0.10 0.99 0.22 4.05 1.08 -1.39 -2.96 117.51 119.40 1jfm h ILE 157 Ca 0.23 -1.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1jfm h ILE 157 Cb 0.46 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1jfm h ILE 157 CO -0.55 0.32 -0.10 -0.74 -0.69 0.00 0.00 178.15 176.38 1jfm h HIS 158 N 0.00 -0.27 -0.33 1.37 2.76 0.16 -1.05 115.15 117.80 1jfm h HIS 158 Ca -0.00 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1jfm h HIS 158 Cb 0.69 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.69 1jfm h HIS 158 CO 0.00 -0.17 -0.29 0.93 -1.30 0.00 0.00 177.93 177.11 1jfm h GLU 159 N -0.37 -0.11 0.00 5.26 5.08 -0.69 -2.07 114.58 121.68 1jfm h GLU 159 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jfm h GLU 159 Cb 0.22 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1jfm h GLU 159 CO 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 1jfm h SER 161 N 0.00 -1.94 -0.13 0.00 0.87 -0.43 -2.23 113.55 109.69 1jfm h SER 161 Ca 0.00 0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1jfm h SER 161 Cb 0.35 0.85 -0.04 0.00 -0.44 0.00 0.00 62.40 63.13 1jfm h SER 161 CO 0.00 -0.21 -0.28 1.56 -0.53 0.00 0.00 176.83 177.37 1jfm h GLN 162 N -0.02 -0.24 -0.97 2.24 4.20 -1.76 -2.87 115.11 115.69 1jfm h GLN 162 Ca 0.14 0.02 0.23 0.00 0.06 0.00 0.00 58.65 59.10 1jfm h GLN 162 Cb 0.38 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.14 1jfm h GLN 162 CO -0.83 -0.16 0.64 0.87 -0.67 0.00 0.00 178.83 178.68 1jfm h LYS 163 N -0.25 0.37 0.10 1.46 1.57 -1.75 -2.54 116.57 115.53 1jfm h LYS 163 Ca 0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jfm h LYS 163 Cb 0.33 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1jfm h LYS 163 CO -0.26 0.24 -0.05 0.52 -0.57 0.00 0.00 179.45 179.34 1jfm h MET 164 N 0.38 -0.12 -0.99 3.15 2.86 -1.20 -1.00 114.93 118.01 1jfm h MET 164 Ca 0.52 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 58.36 1jfm h MET 164 Cb 1.35 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.94 1jfm h MET 164 CO -0.21 0.32 0.61 -0.44 1.06 0.00 0.00 176.91 178.25 1jfm h ASP 165 N -0.62 0.69 0.05 1.22 3.32 -1.30 0.53 116.42 120.30 1jfm h ASP 165 Ca -0.01 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1jfm h ASP 165 Cb 0.50 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1jfm h ASP 165 CO 0.02 0.25 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.68 1jfm h GLU 166 N 0.67 -0.07 -0.80 3.56 4.57 -1.34 -1.77 114.58 119.40 1jfm h GLU 166 Ca 0.55 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.69 1jfm h GLU 166 Cb 0.99 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 1jfm h GLU 166 CO -0.33 0.18 0.33 0.35 -1.18 0.00 0.00 179.01 178.36 1jfm h PHE 167 N -0.31 1.21 -0.09 0.92 3.57 0.39 -3.01 116.94 119.62 1jfm h PHE 167 Ca -0.01 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1jfm h PHE 167 Cb 0.28 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1jfm h PHE 167 CO 0.01 0.91 0.05 -0.07 -2.23 0.00 0.00 178.31 176.98 1jfm h LEU 168 N 1.16 0.12 -1.97 0.59 3.38 0.03 -2.66 115.31 115.97 1jfm h LEU 168 Ca 0.27 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.32 1jfm h LEU 168 Cb 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jfm h LEU 168 CO -0.02 0.17 0.50 0.11 0.09 0.00 0.00 178.44 179.29 1jfm h LYS 169 N 0.05 0.00 -2.82 1.13 1.57 -1.18 -3.09 116.57 112.23 1jfm h LYS 169 Ca 0.03 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.17 1jfm h LYS 169 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1jfm h LYS 169 CO -0.01 0.00 3.15 1.04 -0.57 0.00 0.00 179.45 183.07 1jfm n GLN 170 N -3.96 3.72 -4.25 3.15 6.02 -1.00 -4.92 117.38 116.13 1jfm n GLN 170 Ca 0.11 -2.36 -0.31 0.00 -0.01 0.00 0.00 57.00 54.44 1jfm n GLN 170 Cb 0.73 -2.69 -0.09 0.00 1.02 0.00 0.00 30.24 29.21 1jfm n GLN 170 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jfm s SER 171 N 1.76 4.82 0.22 1.08 1.04 -1.17 -5.03 113.70 116.41 1jfm s SER 171 Ca 0.66 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.91 1jfm s SER 171 Cb 0.20 -1.12 -0.00 0.00 0.10 0.00 0.00 66.02 65.20 1jfm s SER 171 CO -0.07 0.22 0.03 0.29 0.98 0.00 0.00 173.24 174.69 1jfm n LYS 172 N 0.94 1.19 -3.64 4.02 5.02 -1.26 -5.19 118.16 119.25 1jfm n LYS 172 Ca -0.13 -1.66 -0.09 0.00 -2.02 0.00 0.00 58.31 54.41 1jfm n LYS 172 Cb 0.52 0.61 -0.07 0.00 -0.02 0.00 0.00 35.03 36.07 1jfm n LYS 172 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jfm s GLU 173 N -2.79 0.65 0.00 1.97 2.02 -1.26 -5.26 118.70 114.03 1jfm s GLU 173 Ca 0.04 0.95 0.00 0.00 0.02 0.00 0.00 54.97 55.97 1jfm s GLU 173 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1jfm s GLU 173 CO 0.03 -0.11 0.00 1.17 0.02 0.00 0.00 175.26 176.37