#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 -0.35 0.00 -1.67 0.00 -1.26 -4.85 121.76 113.63 1jfm s ALA 2 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1jfm s ALA 2 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1jfm s ALA 2 CO 0.00 -0.78 0.00 0.72 0.00 0.00 0.00 175.76 175.70 1jfm n HIS 3 N -0.32 0.00 -3.44 0.00 8.25 -1.26 -5.08 115.22 113.37 1jfm n HIS 3 Ca -0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.28 1jfm n HIS 3 Cb 0.62 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 1jfm n HIS 3 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1jfm s SER 4 N 2.00 -0.57 -0.17 0.41 1.04 -1.26 -1.62 113.70 113.52 1jfm s SER 4 Ca 0.00 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.44 1jfm s SER 4 Cb 0.00 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1jfm s SER 4 CO 0.00 -0.91 0.12 -0.22 0.98 0.00 0.00 173.24 173.21 1jfm s LEU 5 N -2.52 4.19 -0.06 2.42 0.20 0.14 -4.44 118.68 118.61 1jfm s LEU 5 Ca -0.01 0.28 0.03 0.00 0.69 0.00 0.00 54.13 55.12 1jfm s LEU 5 Cb -0.01 -2.06 0.01 0.00 -0.43 0.00 0.00 46.19 43.70 1jfm s LEU 5 CO -0.10 0.25 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.94 1jfm s ARG 6 N -0.08 1.79 -0.05 1.98 0.52 -0.29 0.02 118.95 122.84 1jfm s ARG 6 Ca 0.10 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1jfm s ARG 6 Cb -0.11 -1.50 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 1jfm s ARG 6 CO 0.00 0.12 -0.15 0.00 0.02 0.00 0.00 175.30 175.29 1jfm s ASN 8 N -0.68 4.01 -0.18 0.00 0.02 -0.69 -1.42 114.94 116.00 1jfm s ASN 8 Ca 0.10 -1.15 -0.06 0.00 -1.02 0.00 0.00 52.86 50.73 1jfm s ASN 8 Cb -0.11 -1.51 -0.04 0.00 0.02 0.00 0.00 41.25 39.62 1jfm s ASN 8 CO 0.01 -0.13 0.04 -0.76 0.02 0.00 0.00 177.10 176.27 1jfm s LEU 9 N 1.18 3.64 -0.09 0.60 1.02 -0.02 -2.31 118.68 122.69 1jfm s LEU 9 Ca -0.05 0.00 0.03 0.00 0.02 0.00 0.00 54.13 54.14 1jfm s LEU 9 Cb -0.18 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.13 1jfm s LEU 9 CO -0.07 0.16 -0.18 -0.89 0.02 0.00 0.00 176.35 175.38 1jfm s THR 10 N 0.45 1.63 0.01 5.49 2.01 -0.54 -0.41 115.64 124.29 1jfm s THR 10 Ca 0.01 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.33 1jfm s THR 10 Cb -0.13 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1jfm s THR 10 CO 0.01 0.46 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.57 1jfm s ILE 11 N 0.64 1.62 0.00 1.82 1.01 -0.28 -0.66 121.20 125.35 1jfm s ILE 11 Ca -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1jfm s ILE 11 Cb -0.16 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1jfm s ILE 11 CO 0.04 0.32 0.00 2.29 0.00 0.00 0.00 174.94 177.59 1jfm n LYS 12 N 2.22 0.00 -5.16 2.79 2.85 0.01 -2.07 118.16 118.79 1jfm n LYS 12 Ca -0.16 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.79 1jfm n LYS 12 Cb 0.53 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.74 1jfm n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1jfm s ASP 13 N 1.80 2.92 0.00 -5.58 1.01 -1.26 -4.64 116.67 110.92 1jfm s ASP 13 Ca 0.00 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.75 1jfm s ASP 13 Cb 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 42.92 42.81 1jfm s ASP 13 CO 0.00 0.18 0.00 -0.81 0.21 0.00 0.00 175.17 174.75 1jfm n PRO 14 N 3.32 0.00 0.00 8.23 -0.04 -1.25 -4.88 135.00 140.38 1jfm n PRO 14 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1jfm n PRO 14 Cb 0.53 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 1jfm n PRO 14 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jfm n THR 15 N 0.00 0.00 0.00 0.52 -2.24 -1.26 -3.26 114.28 108.04 1jfm n THR 15 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jfm n THR 15 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jfm n THR 15 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1jfm n PRO 16 N 0.11 0.00 0.00 -0.78 -0.02 -1.26 -3.75 135.00 129.30 1jfm n PRO 16 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jfm n PRO 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1jfm n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jfm n ALA 17 N 0.00 0.00 -3.25 3.55 0.00 -1.26 -5.00 120.51 114.55 1jfm n ALA 17 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1jfm n ALA 17 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1jfm n ALA 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jfm s ASP 18 N 0.00 -0.68 0.62 0.00 3.68 -1.25 -5.00 116.67 114.04 1jfm s ASP 18 Ca 0.00 -0.77 0.33 0.00 2.13 0.00 0.00 52.55 54.24 1jfm s ASP 18 Cb 0.00 1.54 1.86 0.00 -1.45 0.00 0.00 42.92 44.87 1jfm s ASP 18 CO 0.00 -0.23 2.15 1.55 0.13 0.00 0.00 175.17 178.77 1jfm h PRO 19 N 7.31 0.00 -5.01 4.34 0.14 -1.80 -3.39 132.00 133.59 1jfm h PRO 19 Ca 0.02 0.00 -0.36 0.00 0.14 0.00 0.00 66.00 65.80 1jfm h PRO 19 Cb 1.14 0.00 -0.12 0.00 0.14 0.00 0.00 31.00 32.17 1jfm h PRO 19 CO 0.15 0.00 1.98 -0.11 0.14 0.00 0.00 178.00 180.16 1jfm n LEU 20 N -3.49 -1.29 0.00 1.56 0.00 -1.26 -3.87 117.00 108.65 1jfm n LEU 20 Ca -0.01 -0.53 0.15 0.00 0.00 0.00 0.00 56.01 55.62 1jfm n LEU 20 Cb 0.25 -0.58 0.82 0.00 0.00 0.00 0.00 43.42 43.91 1jfm n LEU 20 CO 0.23 -1.42 1.03 -2.67 0.00 0.00 0.00 177.39 174.56 1jfm n TRP 21 N 6.13 0.00 -3.62 1.96 4.27 -1.26 -4.53 117.44 120.39 1jfm n TRP 21 Ca 0.67 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 54.22 1jfm n TRP 21 Cb 0.14 -0.11 -0.06 0.00 -1.36 0.00 0.00 31.31 29.93 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 -2.21 -0.26 -0.02 -2.67 -0.85 -1.25 -0.81 117.35 109.27 1jfm s TYR 22 Ca 0.38 0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 57.44 1jfm s TYR 22 Cb 0.20 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.99 1jfm s TYR 22 CO 0.38 -0.18 0.09 -2.00 -1.52 0.00 0.00 175.55 172.32 1jfm s GLU 23 N -0.47 0.21 -0.07 -3.49 2.12 0.17 -3.86 118.70 113.31 1jfm s GLU 23 Ca 0.04 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.29 1jfm s GLU 23 Cb -0.03 0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.48 1jfm s GLU 23 CO -0.06 -0.04 -0.02 0.00 -0.54 0.00 0.00 175.26 174.60 1jfm s ALA 24 N -0.43 0.79 -0.17 6.30 0.00 0.12 -1.47 121.76 126.90 1jfm s ALA 24 Ca -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1jfm s ALA 24 Cb -0.03 -0.72 0.04 0.00 0.00 0.00 0.00 23.12 22.42 1jfm s ALA 24 CO 0.00 -0.38 -0.04 0.15 0.00 0.00 0.00 175.76 175.50 1jfm s LYS 25 N 1.75 1.29 0.17 0.00 1.02 -0.98 0.30 119.74 123.29 1jfm s LYS 25 Ca 0.02 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.59 1jfm s LYS 25 Cb -0.13 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1jfm s LYS 25 CO -0.05 -0.45 0.11 0.00 -0.92 0.00 0.00 175.35 174.04 1jfm s PHE 27 N -1.77 -0.47 0.00 0.00 -0.71 -0.36 -0.57 117.98 114.10 1jfm s PHE 27 Ca 0.30 0.62 0.00 0.00 -1.04 0.00 0.00 56.93 56.82 1jfm s PHE 27 Cb -0.10 0.48 0.00 0.00 -1.21 0.00 0.00 43.02 42.19 1jfm s PHE 27 CO 0.22 -0.53 0.00 0.28 -1.34 0.00 0.00 175.22 173.85 1jfm n VAL 28 N 0.39 0.00 0.00 -2.49 0.31 -0.95 -1.13 118.33 114.46 1jfm n VAL 28 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1jfm n VAL 28 Cb 0.60 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 1jfm n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jfm n GLY 29 N 3.44 -1.84 1.74 2.92 0.00 -1.26 -4.67 105.19 105.52 1jfm n GLY 29 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.55 -3.81 1.61 -0.58 -1.26 -5.02 120.64 112.13 1jfm n GLU 30 Ca 0.00 -2.46 -0.36 0.00 -0.42 0.00 0.00 57.16 53.92 1jfm n GLU 30 Cb 0.00 -0.50 -0.13 0.00 -0.57 0.00 0.00 31.44 30.24 1jfm n GLU 30 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1jfm s ILE 31 N -1.13 3.88 0.01 -3.67 1.01 -1.26 -5.08 121.20 114.96 1jfm s ILE 31 Ca 0.33 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1jfm s ILE 31 Cb 0.37 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1jfm s ILE 31 CO -0.13 0.30 1.28 -0.22 0.00 0.00 0.00 174.94 176.16 1jfm s LEU 32 N 1.53 4.32 -0.18 2.97 0.20 -1.26 -2.23 118.68 124.03 1jfm s LEU 32 Ca 0.05 2.00 0.12 0.00 0.69 0.00 0.00 54.13 56.99 1jfm s LEU 32 Cb -0.15 -3.57 -0.23 0.00 -0.43 0.00 0.00 46.19 41.81 1jfm s LEU 32 CO 0.01 -0.60 0.11 -0.38 -0.29 0.00 0.00 176.35 175.20 1jfm n ILE 33 N 4.39 1.47 -3.50 6.68 5.41 0.26 -4.95 119.36 129.13 1jfm n ILE 33 Ca 0.11 -0.77 -0.16 0.00 1.00 0.00 0.00 62.75 62.93 1jfm n ILE 33 Cb 0.45 -0.86 -0.05 0.00 -0.71 0.00 0.00 39.64 38.48 1jfm n ILE 33 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1jfm s LEU 34 N -5.92 -0.62 -0.24 1.39 0.20 -1.06 -4.77 118.68 107.65 1jfm s LEU 34 Ca -0.16 0.52 -0.03 0.00 0.69 0.00 0.00 54.13 55.15 1jfm s LEU 34 Cb 0.07 2.52 0.13 0.00 -0.43 0.00 0.00 46.19 48.48 1jfm s LEU 34 CO 0.77 -0.68 0.38 -2.28 -0.29 0.00 0.00 176.35 174.25 1jfm s HIS 35 N -1.83 -0.83 0.17 5.38 2.46 -1.24 -1.65 115.29 117.75 1jfm s HIS 35 Ca -0.07 0.89 0.09 0.00 0.47 0.00 0.00 55.06 56.44 1jfm s HIS 35 Cb -0.00 0.04 -0.04 0.00 -0.13 0.00 0.00 32.58 32.45 1jfm s HIS 35 CO 0.04 -0.70 -0.14 -0.51 -2.47 0.00 0.00 174.74 170.96 1jfm s LEU 36 N 2.55 2.83 0.00 8.88 1.43 0.15 -4.94 118.68 129.57 1jfm s LEU 36 Ca 0.12 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 1jfm s LEU 36 Cb -0.15 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1jfm s LEU 36 CO -0.16 0.12 0.46 -0.24 0.23 0.00 0.00 176.35 176.76 1jfm n SER 37 N 0.20 -1.14 -1.63 2.29 2.88 -1.26 0.16 113.62 115.11 1jfm n SER 37 Ca -0.12 -1.75 -0.06 0.00 -1.33 0.00 0.00 58.87 55.62 1jfm n SER 37 Cb 0.55 1.90 0.19 0.00 -0.75 0.00 0.00 64.21 66.10 1jfm n SER 37 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jfm n ASN 38 N -1.19 3.82 -4.27 -3.46 3.02 -1.25 -4.91 115.26 107.01 1jfm n ASN 38 Ca -0.04 -2.85 -0.33 0.00 -0.03 0.00 0.00 54.58 51.34 1jfm n ASN 38 Cb 0.32 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 1jfm n ASN 38 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jfm s ILE 39 N -2.18 2.53 0.00 2.41 1.01 -1.26 -5.03 121.20 118.68 1jfm s ILE 39 Ca 0.37 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1jfm s ILE 39 Cb 0.30 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1jfm s ILE 39 CO 0.09 0.53 0.28 0.59 0.00 0.00 0.00 174.94 176.43 1jfm n ASN 40 N 3.79 0.00 0.00 3.58 3.02 -1.26 -4.89 115.26 119.50 1jfm n ASN 40 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1jfm n ASN 40 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1jfm n ASN 40 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jfm n LYS 41 N -0.56 0.00 -1.62 3.52 5.02 -1.26 -5.18 118.16 118.08 1jfm n LYS 41 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jfm n LYS 41 Cb 0.28 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1jfm n LYS 41 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1jfm n THR 42 N -0.36 0.00 -3.63 -0.18 -2.24 -1.26 -5.20 114.28 101.41 1jfm n THR 42 Ca 0.00 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1jfm n THR 42 Cb 0.00 0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1jfm n THR 42 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1jfm n MET 43 N -0.00 1.45 -3.88 -0.78 0.00 -1.26 -5.12 117.12 107.52 1jfm n MET 43 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 57.70 56.93 1jfm n MET 43 Cb 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 33.22 33.15 1jfm n MET 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1jfm s THR 44 N -0.49 2.04 0.00 3.17 -4.23 -1.26 -5.13 115.64 109.74 1jfm s THR 44 Ca 0.04 -2.71 0.00 0.00 -1.18 0.00 0.00 61.69 57.84 1jfm s THR 44 Cb -0.00 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1jfm s THR 44 CO 0.02 -0.77 0.00 -1.54 -0.54 0.00 0.00 174.62 171.80 1jfm n SER 45 N 3.65 0.00 -3.56 3.99 3.41 -1.26 -5.12 113.62 114.74 1jfm n SER 45 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.59 1jfm n SER 45 Cb 0.36 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1jfm n SER 45 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jfm s GLY 46 N 0.00 -0.34 0.21 5.00 0.00 -1.26 -5.10 107.32 105.82 1jfm s GLY 46 Ca 0.00 1.47 0.20 0.00 0.00 0.00 0.00 44.72 46.39 1jfm s GLY 46 CO 0.00 0.54 1.13 -1.80 0.00 0.00 0.00 173.10 172.97 1jfm h ASP 47 N 2.07 0.00 0.00 1.64 3.58 -2.08 -3.47 116.42 118.16 1jfm h ASP 47 Ca -0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1jfm h ASP 47 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1jfm h ASP 47 CO 0.27 0.26 0.00 -0.81 -2.88 0.00 0.00 179.24 176.08 1jfm n PRO 48 N -2.90 0.06 0.00 0.28 -0.04 -1.26 -5.09 135.00 126.04 1jfm n PRO 48 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1jfm n PRO 48 Cb 0.67 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.13 1jfm n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jfm n GLY 49 N 1.69 -1.81 0.00 0.55 0.00 -1.26 -4.94 105.19 99.43 1jfm n GLY 49 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1jfm n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jfm n GLU 50 N 0.00 0.00 0.00 1.61 4.07 -1.26 -4.59 120.64 120.47 1jfm n GLU 50 Ca 0.00 -0.26 0.12 0.00 -0.06 0.00 0.00 57.16 56.96 1jfm n GLU 50 Cb 0.00 -0.34 0.71 0.00 -0.06 0.00 0.00 31.44 31.75 1jfm n GLU 50 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1jfm n THR 51 N 0.00 0.00 0.02 6.31 -2.24 -1.26 -1.90 114.28 115.20 1jfm n THR 51 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1jfm n THR 51 Cb 0.44 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 1jfm n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jfm h ALA 52 N 3.50 0.06 0.00 6.98 0.00 -1.98 0.91 119.26 128.73 1jfm h ALA 52 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jfm h ALA 52 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jfm h ALA 52 CO 0.00 -0.46 -0.09 -0.91 0.00 0.00 0.00 179.25 177.80 1jfm h ASN 53 N 0.05 0.00 0.04 0.00 -0.26 -1.76 -2.22 115.58 111.43 1jfm h ASN 53 Ca 0.02 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.61 1jfm h ASN 53 Cb 0.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1jfm h ASN 53 CO -0.02 0.09 -0.52 0.00 -1.06 0.00 0.00 177.43 175.91 1jfm h ALA 54 N 1.91 0.74 0.00 -0.83 0.00 -1.14 -0.04 119.26 119.91 1jfm h ALA 54 Ca -0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1jfm h ALA 54 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jfm h ALA 54 CO 0.01 0.68 -0.80 1.79 0.00 0.00 0.00 179.25 180.93 1jfm h THR 55 N 0.42 1.41 -0.42 0.00 1.35 0.90 0.36 112.91 116.92 1jfm h THR 55 Ca 0.01 -2.93 -0.10 0.00 -0.55 0.00 0.00 66.41 62.85 1jfm h THR 55 Cb 1.05 2.65 -0.02 0.00 -1.73 0.00 0.00 68.15 70.11 1jfm h THR 55 CO 0.10 0.79 -0.15 -0.08 -0.25 0.00 0.00 175.52 175.93 1jfm h GLU 56 N 0.00 0.77 0.15 4.72 4.57 -1.00 0.56 114.58 124.35 1jfm h GLU 56 Ca -0.01 -0.27 -0.21 0.00 -1.18 0.00 0.00 59.36 57.69 1jfm h GLU 56 Cb 1.59 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 30.15 1jfm h GLU 56 CO 0.10 0.88 -0.89 0.28 -1.18 0.00 0.00 179.01 178.20 1jfm h VAL 57 N 0.69 1.47 -0.81 0.32 2.07 -0.96 -3.08 116.25 115.96 1jfm h VAL 57 Ca 0.11 -2.52 0.16 0.00 0.82 0.00 0.00 66.70 65.27 1jfm h VAL 57 Cb 0.63 3.13 -0.10 0.00 -1.52 0.00 0.00 31.29 33.43 1jfm h VAL 57 CO 0.04 0.72 0.34 0.50 0.02 0.00 0.00 177.57 179.20 1jfm h LYS 58 N -0.27 0.44 -0.51 1.57 3.64 -0.13 -0.26 116.57 121.06 1jfm h LYS 58 Ca -0.15 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1jfm h LYS 58 Cb 1.69 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.39 1jfm h LYS 58 CO 0.17 0.29 0.13 0.87 -2.27 0.00 0.00 179.45 178.65 1jfm h LYS 59 N 0.46 0.81 -0.04 1.90 1.57 -0.93 -1.84 116.57 118.50 1jfm h LYS 59 Ca 0.46 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1jfm h LYS 59 Cb 0.74 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1jfm h LYS 59 CO -0.44 0.77 0.01 0.00 -0.57 0.00 0.00 179.45 179.23 1jfm h LEU 61 N -0.14 -0.18 -0.05 0.00 3.38 -1.11 -3.38 115.31 113.83 1jfm h LEU 61 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1jfm h LEU 61 Cb 0.22 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jfm h LEU 61 CO -0.00 0.21 -0.03 0.41 0.09 0.00 0.00 178.44 179.12 1jfm n THR 62 N -5.01 -0.03 -0.03 0.22 -1.04 -0.69 -0.83 114.28 106.86 1jfm n THR 62 Ca -0.09 0.28 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 1jfm n THR 62 Cb 0.24 -0.36 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 1jfm n THR 62 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1jfm h GLN 63 N 0.00 0.02 -1.02 -2.82 1.08 -1.77 -2.23 115.11 108.37 1jfm h GLN 63 Ca 0.01 -0.02 0.30 0.00 -1.45 0.00 0.00 58.65 57.49 1jfm h GLN 63 Cb 0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.32 1jfm h GLN 63 CO -0.05 0.62 0.60 -1.35 -0.95 0.00 0.00 178.83 177.70 1jfm h PRO 64 N -0.57 0.40 -0.10 1.46 0.11 -1.43 0.20 132.00 132.06 1jfm h PRO 64 Ca -0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1jfm h PRO 64 Cb 0.63 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1jfm h PRO 64 CO 0.00 0.27 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.90 1jfm h LEU 65 N 0.41 0.26 -0.45 2.35 3.38 -0.98 -1.71 115.31 118.58 1jfm h LEU 65 Ca 0.70 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1jfm h LEU 65 Cb 1.54 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1jfm h LEU 65 CO -0.53 0.67 0.16 0.11 0.09 0.00 0.00 178.44 178.94 1jfm h LYS 66 N -0.15 0.32 -0.59 1.13 1.57 -0.21 -0.53 116.57 118.10 1jfm h LYS 66 Ca 0.02 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1jfm h LYS 66 Cb 0.59 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 1jfm h LYS 66 CO 0.02 0.21 0.20 -0.91 -0.57 0.00 0.00 179.45 178.41 1jfm h ASN 67 N 0.33 0.18 -0.52 0.86 4.21 -0.67 -0.78 115.58 119.19 1jfm h ASN 67 Ca 0.21 0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.80 1jfm h ASN 67 Cb 0.21 0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 1jfm h ASN 67 CO -0.22 0.11 0.31 0.25 -1.29 0.00 0.00 177.43 176.59 1jfm h LEU 68 N 0.37 0.62 -0.59 1.61 6.46 -0.28 -2.43 115.31 121.06 1jfm h LEU 68 Ca 0.30 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1jfm h LEU 68 Cb 0.39 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1jfm h LEU 68 CO -0.32 0.49 0.17 0.00 -0.62 0.00 0.00 178.44 178.17 1jfm h GLN 70 N 0.85 0.65 0.00 0.00 1.08 -0.81 0.24 115.11 117.12 1jfm h GLN 70 Ca 0.19 -0.04 -0.22 0.00 -1.45 0.00 0.00 58.65 57.14 1jfm h GLN 70 Cb 0.31 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1jfm h GLN 70 CO -0.00 0.43 -1.09 -0.22 -0.95 0.00 0.00 178.83 176.99 1jfm h LYS 71 N 0.66 0.00 -0.00 1.46 3.64 -1.00 -3.21 116.57 118.12 1jfm h LYS 71 Ca 0.46 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.75 1jfm h LYS 71 Cb 0.62 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1jfm h LYS 71 CO -0.34 0.86 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.17 1jfm h LEU 72 N 0.00 0.01 -0.34 5.20 3.38 0.38 -0.56 115.31 123.37 1jfm h LEU 72 Ca -0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1jfm h LEU 72 Cb 1.78 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1jfm h LEU 72 CO 0.11 0.46 0.04 -0.09 0.09 0.00 0.00 178.44 179.05 1jfm h ARG 73 N 0.00 0.57 -0.14 1.13 2.43 -1.02 -2.06 114.38 115.29 1jfm h ARG 73 Ca -0.00 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1jfm h ARG 73 Cb 0.80 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1jfm h ARG 73 CO 0.06 0.66 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.25 1jfm h ASN 74 N 0.40 -0.10 -0.55 -3.80 4.21 -1.45 -2.82 115.58 111.47 1jfm h ASN 74 Ca 0.10 0.04 0.05 0.00 1.21 0.00 0.00 56.30 57.70 1jfm h ASN 74 Cb 0.38 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 37.60 1jfm h ASN 74 CO 0.01 -0.03 0.28 0.50 -1.29 0.00 0.00 177.43 176.90 1jfm h LYS 75 N 0.02 0.52 0.00 0.81 1.63 -0.97 -1.87 116.57 116.71 1jfm h LYS 75 Ca 0.07 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1jfm h LYS 75 Cb 0.09 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1jfm h LYS 75 CO -0.13 0.34 0.00 1.33 -3.45 0.00 0.00 179.45 177.54 1jfm n VAL 76 N -4.87 0.10 -0.07 2.00 0.24 -0.79 -1.39 118.33 113.55 1jfm n VAL 76 Ca 0.05 0.03 -0.06 0.00 -2.04 0.00 0.00 64.34 62.32 1jfm n VAL 76 Cb 0.15 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 31.88 1jfm n VAL 76 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1jfm h SER 77 N 0.00 0.00 -0.99 -1.34 0.02 -1.10 -3.37 113.55 106.77 1jfm h SER 77 Ca 0.00 -0.08 0.11 0.00 -0.84 0.00 0.00 61.79 60.98 1jfm h SER 77 Cb 0.12 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 1jfm h SER 77 CO 0.00 0.78 0.62 0.78 -1.14 0.00 0.00 176.83 177.88 1jfm h ASN 78 N -1.00 0.93 -2.19 3.07 2.35 -1.51 -3.32 115.58 113.91 1jfm h ASN 78 Ca -0.04 0.04 -0.54 0.00 -0.55 0.00 0.00 56.30 55.22 1jfm h ASN 78 Cb 0.50 -0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.64 1jfm h ASN 78 CO -0.02 0.51 1.13 -0.89 -1.65 0.00 0.00 177.43 176.50 1jfm s THR 79 N -5.97 3.70 -0.36 2.81 2.01 -0.49 -4.91 115.64 112.43 1jfm s THR 79 Ca -0.12 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1jfm s THR 79 Cb 0.22 -4.83 0.11 0.00 0.01 0.00 0.00 72.50 68.01 1jfm s THR 79 CO 0.81 -1.77 0.14 -0.54 -0.69 0.00 0.00 174.62 172.57 1jfm s LYS 80 N 5.81 1.04 0.12 4.92 -0.14 -1.25 -4.71 119.74 125.52 1jfm s LYS 80 Ca 0.39 -1.54 0.03 0.00 -1.36 0.00 0.00 55.97 53.50 1jfm s LYS 80 Cb -0.08 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 1jfm s LYS 80 CO 0.13 -1.04 -0.09 0.14 -0.76 0.00 0.00 175.35 173.73 1jfm s VAL 81 N 1.04 0.94 0.00 3.17 -7.23 -1.26 -5.12 120.40 111.95 1jfm s VAL 81 Ca 0.13 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1jfm s VAL 81 Cb -0.20 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.03 1jfm s VAL 81 CO -0.13 -0.77 0.00 0.47 -0.31 0.00 0.00 175.10 174.36 1jfm n ASP 82 N -0.02 0.00 -0.06 4.85 8.00 -1.26 -4.77 116.55 123.28 1jfm n ASP 82 Ca -0.12 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 1jfm n ASP 82 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.55 1jfm n ASP 82 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jfm n THR 83 N 0.00 1.51 -1.65 -3.53 -2.24 -1.26 -4.88 114.28 102.22 1jfm n THR 83 Ca 0.00 -0.81 -0.32 0.00 -2.27 0.00 0.00 64.05 60.65 1jfm n THR 83 Cb 0.00 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 1jfm n THR 83 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jfm s HIS 84 N -2.54 1.20 0.00 4.78 3.76 -1.26 -4.83 115.29 116.40 1jfm s HIS 84 Ca -0.09 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1jfm s HIS 84 Cb 0.07 -3.65 0.00 0.00 1.11 0.00 0.00 32.58 30.11 1jfm s HIS 84 CO 0.81 -2.29 0.00 1.63 -0.85 0.00 0.00 174.74 174.04 1jfm n LYS 85 N 9.00 0.00 0.00 1.40 5.02 -1.26 -4.92 118.16 127.40 1jfm n LYS 85 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1jfm n LYS 85 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1jfm n LYS 85 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1jfm n THR 86 N 0.00 0.00 0.00 -0.18 -2.24 -1.26 -4.30 114.28 106.29 1jfm n THR 86 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jfm n THR 86 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jfm n THR 86 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jfm n ASN 87 N -0.84 0.00 0.00 3.42 3.02 -1.26 -4.99 115.26 114.62 1jfm n ASN 87 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1jfm n ASN 87 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1jfm n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jfm n GLY 88 N -0.49 3.48 1.41 7.41 0.00 -1.26 -5.13 105.19 110.62 1jfm n GLY 88 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1jfm n GLY 88 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jfm n TYR 89 N -1.90 -1.80 -0.94 1.61 4.01 -1.26 -4.94 117.16 111.94 1jfm n TYR 89 Ca 0.00 1.07 -0.30 0.00 -0.16 0.00 0.00 57.90 58.51 1jfm n TYR 89 Cb 0.00 -2.67 0.26 0.00 -0.31 0.00 0.00 39.34 36.62 1jfm n TYR 89 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1jfm s PRO 90 N -1.62 -1.81 -0.60 -0.72 0.04 -1.26 -4.69 135.00 124.34 1jfm s PRO 90 Ca 0.00 -0.13 -0.02 0.00 0.04 0.00 0.00 61.00 60.89 1jfm s PRO 90 Cb 0.00 -1.53 0.15 0.00 0.04 0.00 0.00 34.50 33.16 1jfm s PRO 90 CO 0.00 -4.09 0.40 -1.58 0.04 0.00 0.00 177.00 171.78 1jfm s HIS 91 N -2.88 3.39 0.16 0.56 2.46 -1.26 -4.38 115.29 113.34 1jfm s HIS 91 Ca 0.71 -2.76 -0.23 0.00 0.47 0.00 0.00 55.06 53.26 1jfm s HIS 91 Cb -0.09 -3.15 -0.08 0.00 -0.13 0.00 0.00 32.58 29.13 1jfm s HIS 91 CO 0.56 -0.84 0.72 -1.17 -2.47 0.00 0.00 174.74 171.54 1jfm s LEU 92 N -0.03 4.51 -0.29 8.88 2.96 -0.88 -1.58 118.68 132.25 1jfm s LEU 92 Ca 0.16 1.51 -0.03 0.00 -0.22 0.00 0.00 54.13 55.56 1jfm s LEU 92 Cb -0.21 -3.30 0.10 0.00 0.50 0.00 0.00 46.19 43.28 1jfm s LEU 92 CO -0.03 0.17 0.11 -1.58 -1.32 0.00 0.00 176.35 173.71 1jfm s GLN 93 N -1.37 0.43 0.04 1.98 2.00 -0.28 -1.13 119.66 121.33 1jfm s GLN 93 Ca 0.36 -0.76 -0.05 0.00 -2.00 0.00 0.00 55.36 52.92 1jfm s GLN 93 Cb -0.21 -1.56 -0.05 0.00 0.80 0.00 0.00 33.01 32.00 1jfm s GLN 93 CO 0.23 -0.99 0.27 0.08 -0.50 0.00 0.00 175.29 174.39 1jfm s VAL 94 N 1.88 5.30 -0.12 1.34 1.01 0.46 -1.40 120.40 128.87 1jfm s VAL 94 Ca 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1jfm s VAL 94 Cb -0.17 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1jfm s VAL 94 CO -0.31 0.27 0.11 -0.89 0.00 0.00 0.00 175.10 174.29 1jfm s THR 95 N -1.39 -0.15 -0.16 3.92 2.01 0.25 -0.84 115.64 119.28 1jfm s THR 95 Ca 0.31 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 1jfm s THR 95 Cb -0.13 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1jfm s THR 95 CO 0.19 -0.06 0.10 -0.32 -0.69 0.00 0.00 174.62 173.85 1jfm s MET 96 N 2.19 3.74 -0.19 4.92 1.75 -0.51 -1.40 119.30 129.81 1jfm s MET 96 Ca 0.04 -0.25 0.00 0.00 -1.25 0.00 0.00 55.69 54.23 1jfm s MET 96 Cb -0.14 -3.21 0.04 0.00 2.84 0.00 0.00 34.83 34.36 1jfm s MET 96 CO -0.07 0.50 -0.08 0.42 -0.65 0.00 0.00 175.02 175.14 1jfm s ILE 97 N -0.24 1.42 -0.55 10.11 1.01 -0.58 -0.88 121.20 131.48 1jfm s ILE 97 Ca 0.10 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 1jfm s ILE 97 Cb -0.12 -1.54 0.14 0.00 0.01 0.00 0.00 42.46 40.95 1jfm s ILE 97 CO 0.01 0.15 0.43 -0.47 0.00 0.00 0.00 174.94 175.06 1jfm s TYR 98 N 1.49 3.47 0.77 3.97 5.04 0.10 -1.96 117.35 130.23 1jfm s TYR 98 Ca -0.00 -2.01 -0.11 0.00 -2.44 0.00 0.00 57.07 52.51 1jfm s TYR 98 Cb -0.16 -3.51 0.06 0.00 0.35 0.00 0.00 41.96 38.69 1jfm s TYR 98 CO -0.08 -0.97 1.09 -1.25 -1.34 0.00 0.00 175.55 173.00 1jfm s PRO 99 N 0.95 2.26 0.05 4.97 0.04 -1.26 0.28 135.00 142.29 1jfm s PRO 99 Ca 0.09 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 1jfm s PRO 99 Cb -0.23 -1.90 -0.18 0.00 0.04 0.00 0.00 34.50 32.23 1jfm s PRO 99 CO -0.02 -1.64 1.23 0.37 0.04 0.00 0.00 177.00 176.97 1jfm h GLN 100 N -1.13 0.57 -6.02 4.56 4.15 -1.67 -3.41 115.11 112.16 1jfm h GLN 100 Ca -0.44 -0.48 -0.53 0.00 0.77 0.00 0.00 58.65 57.97 1jfm h GLN 100 Cb 1.23 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.01 1jfm h GLN 100 CO 0.51 1.11 1.40 0.45 -1.93 0.00 0.00 178.83 180.37 1jfm s SER 101 N -6.79 5.37 0.24 -0.69 0.15 -1.26 -4.96 113.70 105.75 1jfm s SER 101 Ca -0.12 1.05 0.06 0.00 0.70 0.00 0.00 55.95 57.64 1jfm s SER 101 Cb 0.06 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1jfm s SER 101 CO 0.85 -2.17 0.22 -1.10 1.20 0.00 0.00 173.24 172.23 1jfm s GLN 102 N 6.66 3.01 0.31 5.44 -1.52 -1.26 -4.98 119.66 127.32 1jfm s GLN 102 Ca 0.82 -0.98 0.04 0.00 -1.95 0.00 0.00 55.36 53.30 1jfm s GLN 102 Cb -0.20 -2.63 0.04 0.00 -0.22 0.00 0.00 33.01 30.00 1jfm s GLN 102 CO 0.28 0.42 0.36 0.41 -0.25 0.00 0.00 175.29 176.51 1jfm n GLY 103 N -1.10 2.32 0.46 3.09 0.00 -1.26 -4.98 105.19 103.73 1jfm n GLY 103 Ca -0.08 -2.21 0.27 0.00 0.00 0.00 0.00 46.02 44.01 1jfm n GLY 103 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jfm h ARG 104 N 0.00 0.15 -6.07 1.61 2.43 -2.00 -3.41 114.38 107.08 1jfm h ARG 104 Ca -0.17 -0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.44 1jfm h ARG 104 Cb 0.70 -0.03 -0.23 0.00 -0.42 0.00 0.00 29.97 29.99 1jfm h ARG 104 CO 0.25 0.10 -0.83 0.95 -1.51 0.00 0.00 179.97 178.93 1jfm s THR 105 N -5.15 1.65 -0.47 0.20 -4.23 -1.26 -5.07 115.64 101.31 1jfm s THR 105 Ca -0.06 -1.45 -0.42 0.00 -1.18 0.00 0.00 61.69 58.57 1jfm s THR 105 Cb 0.23 -1.49 -0.18 0.00 1.34 0.00 0.00 72.50 72.39 1jfm s THR 105 CO 0.79 -0.02 1.87 -2.65 -0.54 0.00 0.00 174.62 174.06 1jfm n PRO 106 N 1.25 0.00 -3.78 3.99 -0.02 -1.26 -4.74 135.00 130.45 1jfm n PRO 106 Ca -0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.92 1jfm n PRO 106 Cb 0.54 -1.42 -0.13 0.00 -0.02 0.00 0.00 33.50 32.47 1jfm n PRO 106 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1jfm s SER 107 N 4.82 5.13 0.13 2.55 0.01 -1.26 -3.59 113.70 121.48 1jfm s SER 107 Ca 1.09 -0.94 -0.01 0.00 1.31 0.00 0.00 55.95 57.40 1jfm s SER 107 Cb -1.42 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 62.92 1jfm s SER 107 CO 0.67 -0.25 0.06 0.00 0.41 0.00 0.00 173.24 174.13 1jfm s ALA 108 N 1.43 0.87 -0.04 1.44 0.00 -1.26 -4.17 121.76 120.03 1jfm s ALA 108 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1jfm s ALA 108 Cb -0.18 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1jfm s ALA 108 CO 0.02 -0.49 -0.11 0.95 0.00 0.00 0.00 175.76 176.13 1jfm s THR 109 N -4.05 0.98 -0.27 0.00 -4.23 -0.83 -2.17 115.64 105.07 1jfm s THR 109 Ca 0.25 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 1jfm s THR 109 Cb 0.07 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1jfm s THR 109 CO 0.02 0.31 0.04 0.26 -0.54 0.00 0.00 174.62 174.71 1jfm s TRP 110 N 0.39 3.10 -0.17 3.99 0.52 0.02 -1.53 118.94 125.26 1jfm s TRP 110 Ca -0.08 -0.99 -0.03 0.00 0.02 0.00 0.00 56.10 55.02 1jfm s TRP 110 Cb -0.12 -2.20 -0.02 0.00 -1.15 0.00 0.00 33.47 29.97 1jfm s TRP 110 CO 0.02 -0.57 -0.04 -1.21 0.02 0.00 0.00 176.95 175.17 1jfm s GLU 111 N 1.49 3.57 -0.11 4.98 2.02 -0.50 -0.48 118.70 129.67 1jfm s GLU 111 Ca 0.03 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 1jfm s GLU 111 Cb -0.16 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1jfm s GLU 111 CO 0.01 0.12 -0.07 -0.06 0.02 0.00 0.00 175.26 175.28 1jfm s PHE 112 N 0.67 2.95 -0.16 1.61 0.40 -0.49 -0.58 117.98 122.38 1jfm s PHE 112 Ca -0.03 -0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1jfm s PHE 112 Cb -0.15 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.61 1jfm s PHE 112 CO 0.02 0.13 -0.07 1.21 0.70 0.00 0.00 175.22 177.21 1jfm s ASN 113 N -0.24 2.73 -0.42 1.36 3.84 -0.49 -2.85 114.94 118.88 1jfm s ASN 113 Ca 0.03 -0.59 -0.09 0.00 0.21 0.00 0.00 52.86 52.43 1jfm s ASN 113 Cb -0.13 -0.97 0.08 0.00 -0.55 0.00 0.00 41.25 39.68 1jfm s ASN 113 CO 0.03 -0.15 0.25 -0.63 -2.79 0.00 0.00 177.10 173.81 1jfm s ILE 114 N 1.60 4.18 -1.48 -5.21 1.01 0.26 -1.12 121.20 120.44 1jfm s ILE 114 Ca 0.02 -1.42 -0.06 0.00 0.00 0.00 0.00 60.65 59.19 1jfm s ILE 114 Cb -0.14 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1jfm s ILE 114 CO -0.08 -0.51 0.56 -1.20 0.00 0.00 0.00 174.94 173.71 1jfm n SER 115 N 4.90 -5.43 -1.08 3.58 7.64 -0.61 -1.52 113.62 121.10 1jfm n SER 115 Ca -0.10 -0.30 -0.12 0.00 1.01 0.00 0.00 58.87 59.36 1jfm n SER 115 Cb 0.43 -4.41 -0.05 0.00 -1.01 0.00 0.00 64.21 59.16 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 -2.44 -4.53 -0.03 6.43 9.92 -1.26 -4.72 116.55 119.90 1jfm n ASP 116 Ca -0.09 0.30 -0.08 0.00 -0.53 0.00 0.00 54.79 54.40 1jfm n ASP 116 Cb 0.60 -3.70 -0.03 0.00 -0.64 0.00 0.00 41.12 37.35 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 -0.72 0.53 -4.75 -2.24 7.64 -0.57 -5.04 113.62 108.47 1jfm n SER 117 Ca -0.12 0.09 -0.36 0.00 1.01 0.00 0.00 58.87 59.49 1jfm n SER 117 Cb 0.51 -0.22 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.13 3.32 -0.10 1.43 1.51 -0.87 -4.95 117.35 115.56 1jfm s TYR 118 Ca -0.10 0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 56.22 1jfm s TYR 118 Cb 0.04 -1.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.08 1jfm s TYR 118 CO 0.13 0.56 0.24 -0.06 -1.11 0.00 0.00 175.55 175.31 1jfm s PHE 119 N -0.90 -0.32 0.11 2.71 0.08 -1.26 -0.57 117.98 117.82 1jfm s PHE 119 Ca 0.14 0.77 -0.12 0.00 0.12 0.00 0.00 56.93 57.84 1jfm s PHE 119 Cb -0.12 0.04 0.02 0.00 -0.57 0.00 0.00 43.02 42.39 1jfm s PHE 119 CO 0.03 -0.23 0.29 -0.59 -0.10 0.00 0.00 175.22 174.62 1jfm s PHE 120 N 1.23 -0.03 0.02 0.36 -0.71 -1.13 -0.84 117.98 116.88 1jfm s PHE 120 Ca -0.09 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1jfm s PHE 120 Cb -0.10 0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.79 1jfm s PHE 120 CO -0.08 -0.62 -0.03 0.99 -1.34 0.00 0.00 175.22 174.13 1jfm s THR 121 N -3.81 0.17 -0.10 -4.49 2.01 0.15 -1.40 115.64 108.17 1jfm s THR 121 Ca 0.04 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1jfm s THR 121 Cb 0.03 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 1jfm s THR 121 CO -0.11 -0.38 -0.19 0.12 -0.69 0.00 0.00 174.62 173.36 1jfm s PHE 122 N -1.16 2.65 -0.29 4.92 5.99 0.37 -1.34 117.98 129.12 1jfm s PHE 122 Ca -0.12 -0.82 -0.06 0.00 0.00 0.00 0.00 56.93 55.93 1jfm s PHE 122 Cb -0.08 -1.74 0.01 0.00 0.00 0.00 0.00 43.02 41.20 1jfm s PHE 122 CO -0.01 -0.29 0.06 0.71 -0.00 0.00 0.00 175.22 175.70 1jfm s TYR 123 N 0.23 3.13 0.25 10.12 1.51 0.05 -0.80 117.35 131.85 1jfm s TYR 123 Ca -0.13 -1.01 0.20 0.00 -1.01 0.00 0.00 57.07 55.12 1jfm s TYR 123 Cb -0.16 -2.23 0.84 0.00 -0.11 0.00 0.00 41.96 40.29 1jfm s TYR 123 CO 0.07 -0.58 1.82 1.79 -1.11 0.00 0.00 175.55 177.53 1jfm h THR 124 N 5.88 0.87 -0.47 -0.71 1.35 -1.71 0.89 112.91 119.00 1jfm h THR 124 Ca -0.32 -1.28 -0.11 0.00 -0.55 0.00 0.00 66.41 64.15 1jfm h THR 124 Cb 1.13 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.30 1jfm h THR 124 CO 0.60 0.31 -0.13 -0.08 -0.25 0.00 0.00 175.52 175.97 1jfm h GLU 125 N 0.00 0.89 0.00 4.72 4.81 -1.77 -3.24 114.58 119.98 1jfm h GLU 125 Ca -0.00 -0.32 -0.31 0.00 -0.13 0.00 0.00 59.36 58.59 1jfm h GLU 125 Cb 0.75 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1jfm h GLU 125 CO 0.04 0.96 -2.27 -1.71 -0.73 0.00 0.00 179.01 175.30 1jfm n ASN 126 N -4.14 0.07 -1.05 1.04 5.15 -1.17 -4.92 115.26 110.24 1jfm n ASN 126 Ca 0.01 0.03 -0.10 0.00 -0.60 0.00 0.00 54.58 53.93 1jfm n ASN 126 Cb 0.40 1.04 -0.01 0.00 -0.53 0.00 0.00 39.78 40.68 1jfm n ASN 126 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1jfm n MET 127 N -2.71 -0.76 -4.20 1.20 2.81 0.31 -5.01 117.12 108.76 1jfm n MET 127 Ca -0.28 0.54 -0.22 0.00 -1.81 0.00 0.00 57.70 55.92 1jfm n MET 127 Cb 1.07 -4.56 -0.06 0.00 -0.71 0.00 0.00 33.22 28.97 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 -2.62 4.96 0.25 7.83 1.04 -1.04 -4.92 113.70 119.21 1jfm s SER 128 Ca 0.00 -0.49 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1jfm s SER 128 Cb 0.00 -1.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.01 1jfm s SER 128 CO 0.00 -0.04 -0.17 0.26 0.98 0.00 0.00 173.24 174.26 1jfm s TRP 129 N -2.26 2.06 -0.13 5.02 0.52 -1.26 -0.77 118.94 122.12 1jfm s TRP 129 Ca 0.33 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.92 1jfm s TRP 129 Cb -0.07 -0.93 0.04 0.00 -1.15 0.00 0.00 33.47 31.37 1jfm s TRP 129 CO 0.22 0.57 0.34 1.03 0.02 0.00 0.00 176.95 179.13 1jfm s ARG 130 N -3.57 0.35 0.03 4.98 0.52 -0.45 -4.99 118.95 115.82 1jfm s ARG 130 Ca 0.27 0.56 0.09 0.00 -0.52 0.00 0.00 55.73 56.13 1jfm s ARG 130 Cb -0.03 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.48 1jfm s ARG 130 CO 0.12 -0.10 -0.25 -1.54 0.02 0.00 0.00 175.30 173.55 1jfm s SER 131 N 0.72 2.99 0.21 0.23 1.04 -1.26 0.32 113.70 117.95 1jfm s SER 131 Ca -0.04 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 55.75 1jfm s SER 131 Cb -0.06 -0.28 0.21 0.00 0.10 0.00 0.00 66.02 65.99 1jfm s SER 131 CO -0.05 0.26 1.85 0.00 0.98 0.00 0.00 173.24 176.28 1jfm h ALA 132 N 5.00 0.96 -2.95 5.32 0.00 -1.37 -3.46 119.26 122.76 1jfm h ALA 132 Ca -0.45 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 1jfm h ALA 132 Cb 1.14 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1jfm h ALA 132 CO 0.45 0.22 -0.04 0.54 0.00 0.00 0.00 179.25 180.42 1jfm s ASN 133 N -5.75 0.61 0.24 0.00 6.03 -1.26 -5.05 114.94 109.76 1jfm s ASN 133 Ca -0.13 -1.36 -0.06 0.00 -1.03 0.00 0.00 52.86 50.28 1jfm s ASN 133 Cb 0.16 0.72 0.24 0.00 -3.03 0.00 0.00 41.25 39.34 1jfm s ASN 133 CO 0.77 -1.42 1.81 0.44 -2.03 0.00 0.00 177.10 176.67 1jfm h ASP 134 N 2.08 1.02 -0.56 3.54 5.19 -1.98 0.45 116.42 126.16 1jfm h ASP 134 Ca -0.29 -0.15 0.11 0.00 -0.62 0.00 0.00 57.03 56.08 1jfm h ASP 134 Cb 1.24 -0.26 -0.09 0.00 0.18 0.00 0.00 39.33 40.40 1jfm h ASP 134 CO 0.39 0.91 -0.01 -0.33 -3.12 0.00 0.00 179.24 177.07 1jfm h GLU 135 N 1.08 0.10 -0.11 3.56 3.07 -2.00 0.62 114.58 120.91 1jfm h GLU 135 Ca 0.25 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.01 1jfm h GLU 135 Cb 0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1jfm h GLU 135 CO -0.02 0.07 -0.30 0.77 -1.40 0.00 0.00 179.01 178.13 1jfm h SER 136 N 0.10 0.45 -1.00 1.42 0.02 -1.74 -3.14 113.55 109.66 1jfm h SER 136 Ca 0.28 -0.59 0.23 0.00 -0.84 0.00 0.00 61.79 60.87 1jfm h SER 136 Cb 0.44 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 62.76 1jfm h SER 136 CO -0.48 0.96 0.63 1.23 -1.14 0.00 0.00 176.83 178.04 1jfm h GLY 137 N -0.05 1.30 0.90 -3.77 0.00 0.85 0.17 103.07 102.48 1jfm h GLY 137 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1jfm h GLY 137 CO 0.06 -0.09 -0.28 -2.08 0.00 0.00 0.00 176.54 174.15 1jfm h VAL 138 N 0.50 0.43 -0.85 4.60 2.07 -0.86 -0.76 116.25 121.38 1jfm h VAL 138 Ca 0.56 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.05 1jfm h VAL 138 Cb 1.27 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1jfm h VAL 138 CO -0.30 0.00 0.40 0.40 0.02 0.00 0.00 177.57 178.09 1jfm h ILE 139 N -0.71 1.26 0.12 4.57 2.04 -1.34 -2.84 117.51 120.61 1jfm h ILE 139 Ca -0.06 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1jfm h ILE 139 Cb 0.57 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1jfm h ILE 139 CO 0.06 0.32 -0.38 -0.03 0.00 0.00 0.00 178.15 178.12 1jfm h MET 140 N 1.21 -0.54 -0.07 2.37 4.05 -0.40 -1.69 114.93 119.86 1jfm h MET 140 Ca 0.29 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.77 1jfm h MET 140 Cb 0.13 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1jfm h MET 140 CO -0.04 -0.36 0.19 -0.91 0.23 0.00 0.00 176.91 176.02 1jfm h ASN 141 N -0.56 0.00 -0.04 1.39 2.35 -1.03 0.20 115.58 117.88 1jfm h ASN 141 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1jfm h ASN 141 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1jfm h ASN 141 CO -0.19 0.00 -0.06 0.11 -1.65 0.00 0.00 177.43 175.64 1jfm h LYS 142 N 0.00 0.11 -0.40 0.81 1.57 -1.09 -2.92 116.57 114.64 1jfm h LYS 142 Ca 0.03 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1jfm h LYS 142 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1jfm h LYS 142 CO -0.00 0.63 -0.31 -1.49 -0.57 0.00 0.00 179.45 177.71 1jfm h TRP 143 N -0.40 1.05 -0.41 -1.35 4.06 -0.39 -2.34 115.95 116.17 1jfm h TRP 143 Ca 0.00 -0.28 0.12 0.00 2.06 0.00 0.00 58.89 60.79 1jfm h TRP 143 Cb 0.62 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 1jfm h TRP 143 CO 0.11 1.08 0.38 -0.22 -3.56 0.00 0.00 178.44 176.24 1jfm h LYS 144 N 0.75 0.00 0.00 0.49 3.64 -0.70 -0.19 116.57 120.56 1jfm h LYS 144 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1jfm h LYS 144 Cb 0.88 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1jfm h LYS 144 CO 0.08 0.00 -0.02 0.22 -2.27 0.00 0.00 179.45 177.45 1jfm h ASP 145 N 0.00 0.00 -3.00 4.20 1.82 -1.22 -3.42 116.42 114.80 1jfm h ASP 145 Ca 0.20 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.25 1jfm h ASP 145 Cb 0.96 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.86 1jfm h ASP 145 CO -0.00 0.02 0.75 -0.62 -1.61 0.00 0.00 179.24 177.78 1jfm s ASP 146 N -5.73 6.32 0.13 2.28 3.68 -0.08 -4.93 116.67 118.34 1jfm s ASP 146 Ca 0.01 -0.32 -0.19 0.00 2.13 0.00 0.00 52.55 54.18 1jfm s ASP 146 Cb 0.09 -2.49 -0.01 0.00 -1.45 0.00 0.00 42.92 39.07 1jfm s ASP 146 CO 0.55 -1.42 1.74 1.23 0.13 0.00 0.00 175.17 177.40 1jfm h GLY 147 N 11.60 0.27 0.30 2.66 0.00 -1.86 -2.23 103.07 113.81 1jfm h GLY 147 Ca -0.26 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.14 1jfm h GLY 147 CO 1.16 -0.00 0.08 0.83 0.00 0.00 0.00 176.54 178.60 1jfm h GLU 148 N 0.14 0.20 0.24 4.80 5.08 -1.97 0.65 114.58 123.72 1jfm h GLU 148 Ca 0.11 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1jfm h GLU 148 Cb 0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1jfm h GLU 148 CO -0.14 0.13 -0.36 0.35 -1.00 0.00 0.00 179.01 177.99 1jfm h PHE 149 N 0.21 -1.03 -1.01 4.33 -0.00 -1.86 -0.52 116.94 117.07 1jfm h PHE 149 Ca 0.25 0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.28 1jfm h PHE 149 Cb 0.35 0.42 -0.06 0.00 -0.00 0.00 0.00 35.95 36.66 1jfm h PHE 149 CO -0.25 -0.45 0.66 0.28 -0.00 0.00 0.00 178.31 178.55 1jfm h VAL 150 N -0.63 1.16 -0.10 1.41 2.07 -1.19 -2.08 116.25 116.89 1jfm h VAL 150 Ca -0.03 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1jfm h VAL 150 Cb 0.58 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1jfm h VAL 150 CO -0.11 0.23 -0.11 0.11 0.02 0.00 0.00 177.57 177.70 1jfm h LYS 151 N 1.26 -0.14 -0.86 1.57 1.57 -0.62 -2.10 116.57 117.25 1jfm h LYS 151 Ca 0.41 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.37 1jfm h LYS 151 Cb 0.03 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.27 1jfm h LYS 151 CO -0.13 -0.10 0.40 1.96 -0.57 0.00 0.00 179.45 181.01 1jfm h GLN 152 N -0.15 0.49 -0.77 3.15 4.20 -0.41 0.84 115.11 122.46 1jfm h GLN 152 Ca 0.07 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1jfm h GLN 152 Cb 0.26 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1jfm h GLN 152 CO -0.19 0.33 0.30 -0.07 -0.67 0.00 0.00 178.83 178.54 1jfm h LEU 153 N 0.51 1.07 0.02 1.46 3.38 -0.99 -1.22 115.31 119.54 1jfm h LEU 153 Ca 0.50 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1jfm h LEU 153 Cb 0.82 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jfm h LEU 153 CO -0.44 0.96 -0.01 0.11 0.09 0.00 0.00 178.44 179.15 1jfm h LYS 154 N 1.13 -0.02 0.79 1.13 1.57 -0.68 -3.27 116.57 117.21 1jfm h LYS 154 Ca 0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1jfm h LYS 154 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jfm h LYS 154 CO -0.02 0.51 -0.44 0.74 -0.57 0.00 0.00 179.45 179.67 1jfm h PHE 155 N -0.57 -1.17 -0.98 -1.35 0.05 -0.86 0.11 116.94 112.17 1jfm h PHE 155 Ca -0.00 -0.02 0.27 0.00 3.82 0.00 0.00 57.97 62.04 1jfm h PHE 155 Cb 0.55 0.41 -0.18 0.00 2.00 0.00 0.00 35.95 38.72 1jfm h PHE 155 CO 0.11 -0.68 0.02 -0.11 -0.18 0.00 0.00 178.31 177.47 1jfm n LEU 156 N -5.59 -0.11 -0.03 1.54 7.94 -0.47 0.54 117.00 120.81 1jfm n LEU 156 Ca -0.15 1.67 -0.13 0.00 -1.11 0.00 0.00 56.01 56.29 1jfm n LEU 156 Cb 0.47 -0.61 -0.11 0.00 0.53 0.00 0.00 43.42 43.71 1jfm n LEU 156 CO 0.37 -1.69 0.55 0.40 -1.11 0.00 0.00 177.39 175.91 1jfm h ILE 157 N 0.00 1.50 -0.76 1.96 1.08 -1.52 -2.58 117.51 117.18 1jfm h ILE 157 Ca 0.60 -1.51 0.07 0.00 -0.39 0.00 0.00 64.86 63.63 1jfm h ILE 157 Cb 1.23 2.49 -0.06 0.00 -3.07 0.00 0.00 36.82 37.41 1jfm h ILE 157 CO -0.93 0.40 0.44 -0.74 -0.69 0.00 0.00 178.15 176.64 1jfm h HIS 158 N -0.57 0.81 0.43 1.37 2.76 0.18 0.05 115.15 120.18 1jfm h HIS 158 Ca -0.00 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1jfm h HIS 158 Cb 0.67 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 1jfm h HIS 158 CO 0.15 0.38 -0.28 1.49 -1.30 0.00 0.00 177.93 178.36 1jfm h GLU 159 N 0.80 -0.65 -0.03 5.26 4.81 0.04 -3.13 114.58 121.67 1jfm h GLU 159 Ca 0.35 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1jfm h GLU 159 Cb 0.23 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1jfm h GLU 159 CO -0.20 -0.43 0.00 0.00 -0.73 0.00 0.00 179.01 177.65 1jfm h SER 161 N 0.39 -1.17 0.05 0.00 0.87 -0.92 -1.14 113.55 111.63 1jfm h SER 161 Ca 0.00 0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1jfm h SER 161 Cb 0.09 0.47 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1jfm h SER 161 CO 0.00 -0.29 -0.42 1.56 -0.53 0.00 0.00 176.83 177.15 1jfm h GLN 162 N -0.31 -0.59 -0.44 2.24 4.20 -1.80 -1.83 115.11 116.58 1jfm h GLN 162 Ca 0.04 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.86 1jfm h GLN 162 Cb 0.41 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1jfm h GLN 162 CO -0.34 -0.39 0.30 0.87 -0.67 0.00 0.00 178.83 178.59 1jfm h LYS 163 N -0.61 0.28 -0.17 1.46 1.57 -1.81 -1.77 116.57 115.52 1jfm h LYS 163 Ca 0.03 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1jfm h LYS 163 Cb 0.67 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jfm h LYS 163 CO -0.29 0.19 -0.40 0.52 -0.57 0.00 0.00 179.45 178.90 1jfm h MET 164 N 0.29 0.57 -0.62 3.15 2.86 -0.75 -2.41 114.93 118.03 1jfm h MET 164 Ca 0.20 -0.39 0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1jfm h MET 164 Cb 0.40 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.03 1jfm h MET 164 CO -0.04 1.00 0.12 -0.44 1.06 0.00 0.00 176.91 178.61 1jfm h ASP 165 N 0.22 -0.02 0.17 1.22 5.19 -0.50 0.24 116.42 122.93 1jfm h ASP 165 Ca -0.00 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1jfm h ASP 165 Cb 1.01 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1jfm h ASP 165 CO 0.09 -0.01 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.79 1jfm h GLU 166 N 0.25 -0.22 0.00 3.56 5.08 -1.43 -2.42 114.58 119.40 1jfm h GLU 166 Ca 0.33 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1jfm h GLU 166 Cb 0.50 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jfm h GLU 166 CO -0.43 -0.03 -0.08 0.35 -1.00 0.00 0.00 179.01 177.82 1jfm h PHE 167 N -0.36 0.00 0.00 4.33 3.57 -0.86 -0.66 116.94 122.96 1jfm h PHE 167 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jfm h PHE 167 Cb 0.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1jfm h PHE 167 CO -0.02 0.08 0.00 1.28 -2.23 0.00 0.00 178.31 177.41 1jfm n LEU 168 N -3.98 0.00 -0.16 0.59 4.77 0.77 -3.16 117.00 115.84 1jfm n LEU 168 Ca -0.02 0.29 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 1jfm n LEU 168 Cb 0.17 -0.29 0.65 0.00 -2.33 0.00 0.00 43.42 41.62 1jfm n LEU 168 CO 0.31 -0.01 0.93 0.29 -1.33 0.00 0.00 177.39 177.58 1jfm n LYS 169 N -1.29 1.22 -3.44 3.23 5.02 -0.25 -4.78 118.16 117.86 1jfm n LYS 169 Ca 0.14 -0.32 -0.38 0.00 -2.02 0.00 0.00 58.31 55.73 1jfm n LYS 169 Cb 0.23 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1jfm n LYS 169 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jfm s GLN 170 N -1.97 4.07 0.00 1.97 -0.21 -1.19 -5.11 119.66 117.23 1jfm s GLN 170 Ca 0.37 0.41 0.00 0.00 0.02 0.00 0.00 55.36 56.16 1jfm s GLN 170 Cb 0.18 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.89 1jfm s GLN 170 CO 0.29 0.51 0.00 0.43 -2.12 0.00 0.00 175.29 174.40 1jfm n SER 171 N 2.45 0.00 0.00 5.90 7.64 -1.26 -4.95 113.62 123.40 1jfm n SER 171 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1jfm n SER 171 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1jfm n SER 171 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1jfm n LYS 172 N 0.00 -0.40 0.00 1.43 4.81 -1.26 -3.40 118.16 119.34 1jfm n LYS 172 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jfm n LYS 172 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1jfm n LYS 172 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jfm n GLU 173 N 0.00 0.00 0.00 1.64 1.02 -1.26 -5.05 120.64 116.99 1jfm n GLU 173 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1jfm n GLU 173 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.14 1jfm n GLU 173 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48