#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 -1.93 0.34 2.24 0.00 -1.26 -5.15 121.76 115.99 1jfm s ALA 2 Ca 0.00 2.40 -0.16 0.00 0.00 0.00 0.00 51.96 54.20 1jfm s ALA 2 Cb 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.64 1jfm s ALA 2 CO 0.00 -0.49 0.72 -1.01 0.00 0.00 0.00 175.76 174.98 1jfm s HIS 3 N 1.87 0.11 0.27 0.00 3.76 -1.26 -5.12 115.29 114.93 1jfm s HIS 3 Ca -0.09 -0.66 -0.09 0.00 -0.15 0.00 0.00 55.06 54.07 1jfm s HIS 3 Cb -0.06 0.67 -0.00 0.00 1.11 0.00 0.00 32.58 34.30 1jfm s HIS 3 CO -0.20 -1.39 0.46 -1.54 -0.85 0.00 0.00 174.74 171.22 1jfm s SER 4 N -3.03 0.19 -0.28 1.40 1.04 -1.26 -3.04 113.70 108.72 1jfm s SER 4 Ca 0.16 -1.13 -0.13 0.00 0.48 0.00 0.00 55.95 55.33 1jfm s SER 4 Cb -0.05 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1jfm s SER 4 CO 0.11 -1.18 0.28 -0.22 0.98 0.00 0.00 173.24 173.21 1jfm s LEU 5 N -3.09 4.04 0.04 2.42 0.20 0.53 -3.90 118.68 118.91 1jfm s LEU 5 Ca 0.26 0.13 0.07 0.00 0.69 0.00 0.00 54.13 55.29 1jfm s LEU 5 Cb -0.00 -2.27 -0.03 0.00 -0.43 0.00 0.00 46.19 43.45 1jfm s LEU 5 CO 0.12 -0.12 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.73 1jfm s ARG 6 N 1.92 2.03 -0.07 1.98 0.52 -0.37 0.22 118.95 125.18 1jfm s ARG 6 Ca 0.11 -1.00 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1jfm s ARG 6 Cb -0.16 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.18 1jfm s ARG 6 CO 0.10 0.54 -0.10 0.00 0.02 0.00 0.00 175.30 175.86 1jfm s ASN 8 N 0.90 4.93 -0.15 0.00 0.02 0.08 -0.64 114.94 120.09 1jfm s ASN 8 Ca -0.10 -1.12 -0.08 0.00 -1.02 0.00 0.00 52.86 50.54 1jfm s ASN 8 Cb -0.15 -1.76 -0.04 0.00 0.02 0.00 0.00 41.25 39.32 1jfm s ASN 8 CO 0.01 -0.25 0.14 -0.76 0.02 0.00 0.00 177.10 176.26 1jfm s LEU 9 N 1.33 4.33 -0.13 0.60 1.02 -0.37 -1.82 118.68 123.63 1jfm s LEU 9 Ca -0.03 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.52 1jfm s LEU 9 Cb -0.19 -2.08 0.02 0.00 0.02 0.00 0.00 46.19 43.96 1jfm s LEU 9 CO -0.00 0.33 -0.12 -0.89 0.02 0.00 0.00 176.35 175.69 1jfm s THR 10 N -0.56 1.35 -0.20 5.49 2.01 -0.45 -0.87 115.64 122.41 1jfm s THR 10 Ca 0.13 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1jfm s THR 10 Cb -0.12 -1.29 0.03 0.00 0.01 0.00 0.00 72.50 71.13 1jfm s THR 10 CO 0.02 0.42 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.57 1jfm s ILE 11 N 1.54 2.07 0.00 1.82 1.01 -0.07 -1.79 121.20 125.77 1jfm s ILE 11 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1jfm s ILE 11 Cb -0.13 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1jfm s ILE 11 CO -0.09 0.38 0.00 0.29 0.00 0.00 0.00 174.94 175.52 1jfm n LYS 12 N 4.57 3.51 -3.80 2.79 5.02 -1.23 -1.03 118.16 128.00 1jfm n LYS 12 Ca -0.19 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.98 1jfm n LYS 12 Cb 0.48 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.37 1jfm n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jfm s ASP 13 N 1.00 -0.22 0.03 4.39 1.11 -1.26 -4.58 116.67 117.13 1jfm s ASP 13 Ca 0.00 0.43 0.00 0.00 0.18 0.00 0.00 52.55 53.16 1jfm s ASP 13 Cb 0.00 0.44 0.00 0.00 1.07 0.00 0.00 42.92 44.43 1jfm s ASP 13 CO 0.00 -0.08 0.03 -0.81 1.18 0.00 0.00 175.17 175.49 1jfm n PRO 14 N 2.95 1.20 0.00 8.23 -0.05 -1.26 -4.90 135.00 141.17 1jfm n PRO 14 Ca -0.13 -0.15 0.00 0.00 -0.05 0.00 0.00 63.50 63.17 1jfm n PRO 14 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.04 1jfm n PRO 14 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1jfm n THR 15 N -0.83 0.00 0.00 0.52 -2.24 -1.26 -4.92 114.28 105.54 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 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.31 0.00 -0.33 -0.78 -0.02 -1.26 -2.82 135.00 128.48 1jfm n PRO 16 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1jfm n PRO 16 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 33.62 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 3.05 -1.69 3.55 0.00 -1.26 -4.85 120.51 119.30 1jfm n ALA 17 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 53.44 52.72 1jfm n ALA 17 Cb 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1jfm n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jfm n ASP 18 N 0.19 -2.13 -3.14 0.00 8.00 -1.13 -4.74 116.55 113.61 1jfm n ASP 18 Ca 0.11 0.40 -0.14 0.00 0.71 0.00 0.00 54.79 55.87 1jfm n ASP 18 Cb 0.62 -2.17 -0.02 0.00 -0.02 0.00 0.00 41.12 39.53 1jfm n ASP 18 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jfm n PRO 19 N 0.48 0.62 -2.34 -0.24 -0.04 -1.26 -4.70 135.00 127.52 1jfm n PRO 19 Ca -0.09 -0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 62.06 1jfm n PRO 19 Cb 0.14 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1jfm n PRO 19 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jfm n LEU 20 N 5.45 6.83 0.00 1.53 4.77 -1.26 -4.44 117.00 129.87 1jfm n LEU 20 Ca 0.20 -4.73 0.06 0.00 -0.03 0.00 0.00 56.01 51.51 1jfm n LEU 20 Cb 0.11 -1.44 0.32 0.00 -2.33 0.00 0.00 43.42 40.08 1jfm n LEU 20 CO 0.67 1.50 0.60 -2.67 -1.33 0.00 0.00 177.39 176.16 1jfm n TRP 21 N 3.36 0.00 -3.60 -1.77 4.27 -1.26 -3.77 117.44 114.67 1jfm n TRP 21 Ca 0.41 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.93 1jfm n TRP 21 Cb 0.34 -0.13 -0.06 0.00 -1.36 0.00 0.00 31.31 30.11 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 -2.26 -0.35 -0.24 -2.67 -0.85 -1.25 -3.51 117.35 106.22 1jfm s TYR 22 Ca 0.15 0.67 -0.04 0.00 -0.52 0.00 0.00 57.07 57.33 1jfm s TYR 22 Cb 0.08 0.44 0.13 0.00 0.38 0.00 0.00 41.96 42.98 1jfm s TYR 22 CO 0.15 -0.27 0.42 -2.00 -1.52 0.00 0.00 175.55 172.33 1jfm s GLU 23 N -0.75 0.37 -0.10 -3.49 2.12 -0.74 -3.52 118.70 112.59 1jfm s GLU 23 Ca 0.01 0.77 -0.01 0.00 0.36 0.00 0.00 54.97 56.10 1jfm s GLU 23 Cb -0.02 -0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.27 1jfm s GLU 23 CO -0.02 -0.51 -0.05 0.00 -0.54 0.00 0.00 175.26 174.15 1jfm s ALA 24 N 2.61 3.04 -0.17 6.30 0.00 -0.75 -1.34 121.76 131.46 1jfm s ALA 24 Ca 0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1jfm s ALA 24 Cb -0.14 -1.39 0.08 0.00 0.00 0.00 0.00 23.12 21.67 1jfm s ALA 24 CO -0.16 0.45 0.18 0.21 0.00 0.00 0.00 175.76 176.45 1jfm s LYS 25 N -0.42 0.13 0.17 0.00 2.20 -0.75 0.37 119.74 121.44 1jfm s LYS 25 Ca 0.07 0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 1jfm s LYS 25 Cb -0.12 -1.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.00 1jfm s LYS 25 CO 0.02 -0.59 0.07 0.00 -0.36 0.00 0.00 175.35 174.50 1jfm s PHE 27 N -1.77 -0.10 -0.36 0.00 -0.71 0.22 -2.14 117.98 113.13 1jfm s PHE 27 Ca 0.29 -0.21 0.02 0.00 -1.04 0.00 0.00 56.93 55.99 1jfm s PHE 27 Cb -0.10 0.64 0.11 0.00 -1.21 0.00 0.00 43.02 42.46 1jfm s PHE 27 CO 0.21 -0.80 0.12 0.08 -1.34 0.00 0.00 175.22 173.49 1jfm s VAL 28 N -3.08 1.54 0.00 -2.49 1.01 -0.55 -1.24 120.40 115.59 1jfm s VAL 28 Ca 0.14 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1jfm s VAL 28 Cb -0.01 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1jfm s VAL 28 CO 0.02 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.03 1jfm n GLY 29 N 4.29 1.38 0.00 4.51 0.00 -1.25 -2.02 105.19 112.10 1jfm n GLY 29 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.51 -3.32 1.61 1.02 -1.26 -5.01 120.64 114.19 1jfm n GLU 30 Ca 0.00 -0.60 -0.40 0.00 -0.02 0.00 0.00 57.16 56.13 1jfm n GLU 30 Cb 0.00 -0.71 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 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 -0.23 5.10 -0.07 -3.67 1.01 -0.86 -5.04 121.20 117.44 1jfm s ILE 31 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 1jfm s ILE 31 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1jfm s ILE 31 CO 0.00 -0.05 1.23 -0.22 0.00 0.00 0.00 174.94 175.90 1jfm s LEU 32 N 2.21 4.26 -0.01 2.97 0.20 -1.26 -1.47 118.68 125.57 1jfm s LEU 32 Ca 0.16 1.82 0.17 0.00 0.69 0.00 0.00 54.13 56.97 1jfm s LEU 32 Cb -0.16 -3.55 -0.23 0.00 -0.43 0.00 0.00 46.19 41.81 1jfm s LEU 32 CO 0.11 -0.63 0.54 -0.38 -0.29 0.00 0.00 176.35 175.71 1jfm n ILE 33 N 4.76 0.00 0.00 6.68 5.41 -0.91 -4.97 119.36 130.33 1jfm n ILE 33 Ca 0.12 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1jfm n ILE 33 Cb 0.46 0.51 0.00 0.00 -0.71 0.00 0.00 39.64 39.90 1jfm n ILE 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1jfm n LEU 34 N -1.79 0.00 -3.85 1.39 0.00 -1.15 -4.58 117.00 107.02 1jfm n LEU 34 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.84 1jfm n LEU 34 Cb 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.63 1jfm n LEU 34 CO 0.36 0.00 -0.38 -2.28 0.00 0.00 0.00 177.39 175.09 1jfm s HIS 35 N -1.09 0.36 0.14 1.96 2.46 -1.26 -1.48 115.29 116.38 1jfm s HIS 35 Ca 0.00 -0.03 0.03 0.00 0.47 0.00 0.00 55.06 55.53 1jfm s HIS 35 Cb 0.00 -0.39 -0.04 0.00 -0.13 0.00 0.00 32.58 32.01 1jfm s HIS 35 CO 0.00 -0.11 -0.08 -0.51 -2.47 0.00 0.00 174.74 171.57 1jfm s LEU 36 N 0.78 2.48 0.00 8.88 1.43 0.16 -2.40 118.68 130.00 1jfm s LEU 36 Ca -0.08 -1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 51.69 1jfm s LEU 36 Cb -0.11 -0.24 0.11 0.00 0.03 0.00 0.00 46.19 45.98 1jfm s LEU 36 CO -0.01 -0.40 1.13 -0.55 0.23 0.00 0.00 176.35 176.75 1jfm s SER 37 N -3.14 -0.15 0.02 2.29 0.15 -1.25 -1.80 113.70 109.82 1jfm s SER 37 Ca 0.16 -0.17 0.22 0.00 0.70 0.00 0.00 55.95 56.87 1jfm s SER 37 Cb 0.04 0.28 -0.23 0.00 -1.71 0.00 0.00 66.02 64.40 1jfm s SER 37 CO -0.00 -0.50 0.68 -0.46 1.20 0.00 0.00 173.24 174.16 1jfm n ASN 38 N -0.38 0.32 -0.99 5.45 0.23 -1.23 -3.69 115.26 114.97 1jfm n ASN 38 Ca -0.06 -0.09 -0.01 0.00 -0.53 0.00 0.00 54.58 53.89 1jfm n ASN 38 Cb 0.61 1.51 0.08 0.00 -2.08 0.00 0.00 39.78 39.90 1jfm n ASN 38 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1jfm n ILE 39 N -2.20 0.96 -3.63 1.53 5.41 -1.26 -4.85 119.36 115.31 1jfm n ILE 39 Ca -0.02 -0.38 -0.23 0.00 1.00 0.00 0.00 62.75 63.12 1jfm n ILE 39 Cb 0.52 -0.59 0.01 0.00 -0.71 0.00 0.00 39.64 38.88 1jfm n ILE 39 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1jfm n ASN 40 N 0.14 -5.55 -3.88 4.38 3.02 -1.24 -4.97 115.26 107.16 1jfm n ASN 40 Ca 0.09 -0.82 -0.28 0.00 -0.03 0.00 0.00 54.58 53.54 1jfm n ASN 40 Cb 0.58 -2.89 -0.12 0.00 -0.61 0.00 0.00 39.78 36.74 1jfm n ASN 40 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1jfm s LYS 41 N -5.03 2.26 -0.03 3.52 2.20 -1.26 -5.01 119.74 116.38 1jfm s LYS 41 Ca 0.17 -3.11 -0.11 0.00 -0.36 0.00 0.00 55.97 52.56 1jfm s LYS 41 Cb -0.07 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1jfm s LYS 41 CO 0.86 -1.26 0.31 0.99 -0.36 0.00 0.00 175.35 175.90 1jfm s THR 42 N -1.11 5.21 -0.02 3.43 2.01 -1.26 -3.81 115.64 120.10 1jfm s THR 42 Ca 0.24 0.53 -0.02 0.00 0.31 0.00 0.00 61.69 62.75 1jfm s THR 42 Cb -0.09 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1jfm s THR 42 CO -0.13 0.54 0.03 0.23 -0.69 0.00 0.00 174.62 174.60 1jfm n MET 43 N 1.70 -0.09 0.00 4.92 2.81 -1.01 -4.67 117.12 120.78 1jfm n MET 43 Ca -0.15 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1jfm n MET 43 Cb 0.53 -0.10 0.00 0.00 -0.71 0.00 0.00 33.22 32.94 1jfm n MET 43 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1jfm n THR 44 N 0.16 0.00 -2.00 2.03 -1.04 -1.26 -4.89 114.28 107.27 1jfm n THR 44 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jfm n THR 44 Cb 0.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1jfm n THR 44 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1jfm n SER 45 N -1.17 0.00 0.00 8.00 7.64 -1.26 -5.01 113.62 121.82 1jfm n SER 45 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jfm n SER 45 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jfm n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jfm n GLY 46 N 0.00 1.80 0.00 0.23 0.00 -1.26 -3.98 105.19 101.99 1jfm n GLY 46 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1jfm n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfm n ASP 47 N 3.66 0.00 -4.59 1.61 2.03 -1.26 -5.08 116.55 112.91 1jfm n ASP 47 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1jfm n ASP 47 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1jfm n ASP 47 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1jfm s PRO 48 N 0.00 3.13 -0.25 -0.67 0.04 -1.26 -4.54 135.00 131.45 1jfm s PRO 48 Ca 0.00 1.46 0.18 0.00 0.04 0.00 0.00 61.00 62.67 1jfm s PRO 48 Cb 0.00 -4.28 0.49 0.00 0.04 0.00 0.00 34.50 30.75 1jfm s PRO 48 CO 0.00 -2.10 1.14 0.41 0.04 0.00 0.00 177.00 176.49 1jfm n GLY 49 N 5.56 3.35 2.06 0.56 0.00 -1.26 -5.02 105.19 110.43 1jfm n GLY 49 Ca 0.25 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 1jfm n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jfm n GLU 50 N -0.59 -1.80 -0.19 1.61 0.28 -1.26 -5.04 120.64 113.65 1jfm n GLU 50 Ca 0.19 -1.05 0.03 0.00 -0.16 0.00 0.00 57.16 56.17 1jfm n GLU 50 Cb 0.87 -0.89 -0.01 0.00 1.43 0.00 0.00 31.44 32.84 1jfm n GLU 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1jfm n THR 51 N -3.62 0.00 -0.02 3.84 -2.24 -1.26 -4.30 114.28 106.69 1jfm n THR 51 Ca 0.09 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1jfm n THR 51 Cb 0.33 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.49 2.61 0.08 6.98 0.00 -1.26 -4.45 120.51 123.98 1jfm n ALA 52 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1jfm n ALA 52 Cb 0.09 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 1jfm n ALA 52 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jfm h ASN 53 N -0.21 -0.19 -0.78 0.00 2.35 -1.96 -0.64 115.58 114.15 1jfm h ASN 53 Ca -0.11 0.02 0.18 0.00 -0.55 0.00 0.00 56.30 55.85 1jfm h ASN 53 Cb 0.88 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 39.20 1jfm h ASN 53 CO -0.06 -0.11 0.17 0.00 -1.65 0.00 0.00 177.43 175.77 1jfm h ALA 54 N 0.77 1.02 -0.18 -0.83 0.00 -1.84 0.12 119.26 118.32 1jfm h ALA 54 Ca 0.01 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1jfm h ALA 54 Cb 0.16 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jfm h ALA 54 CO -0.03 -0.38 -0.47 1.15 0.00 0.00 0.00 179.25 179.52 1jfm h THR 55 N 0.23 1.33 -0.55 0.00 2.02 -1.67 0.54 112.91 114.81 1jfm h THR 55 Ca 0.45 -1.72 0.14 0.00 0.77 0.00 0.00 66.41 66.05 1jfm h THR 55 Cb 0.82 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 1jfm h THR 55 CO -0.57 0.53 0.38 -0.33 0.37 0.00 0.00 175.52 175.91 1jfm h GLU 56 N 0.31 0.10 0.05 6.66 4.39 0.53 0.61 114.58 127.22 1jfm h GLU 56 Ca -0.01 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1jfm h GLU 56 Cb 1.09 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1jfm h GLU 56 CO 0.10 0.06 -0.29 0.28 -1.16 0.00 0.00 179.01 178.00 1jfm h VAL 57 N 0.10 1.68 -0.26 3.13 2.07 -0.52 -2.83 116.25 119.63 1jfm h VAL 57 Ca 0.26 -2.41 0.07 0.00 0.82 0.00 0.00 66.70 65.45 1jfm h VAL 57 Cb 0.90 3.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.97 1jfm h VAL 57 CO -0.03 0.64 0.21 0.50 0.02 0.00 0.00 177.57 178.91 1jfm h LYS 58 N -0.80 0.00 0.14 1.57 3.64 0.20 -0.30 116.57 121.02 1jfm h LYS 58 Ca -0.05 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.04 1jfm h LYS 58 Cb 1.21 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1jfm h LYS 58 CO 0.04 0.00 -1.26 0.87 -2.27 0.00 0.00 179.45 176.84 1jfm h LYS 59 N 0.00 0.37 -0.18 1.90 1.57 0.09 -2.81 116.57 117.51 1jfm h LYS 59 Ca 0.12 -0.59 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 1jfm h LYS 59 Cb 0.54 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1jfm h LYS 59 CO -0.00 1.27 -0.55 0.00 -0.57 0.00 0.00 179.45 179.59 1jfm h LEU 61 N 0.42 0.46 -0.07 0.00 3.38 -1.21 -3.40 115.31 114.89 1jfm h LEU 61 Ca 0.01 -0.78 0.01 0.00 0.09 0.00 0.00 57.88 57.21 1jfm h LEU 61 Cb 1.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1jfm h LEU 61 CO 0.10 1.67 -0.04 0.41 0.09 0.00 0.00 178.44 180.67 1jfm n THR 62 N -3.48 -0.04 -0.12 0.22 -1.04 -1.06 -0.77 114.28 107.98 1jfm n THR 62 Ca -0.24 1.17 -0.11 0.00 -2.04 0.00 0.00 64.05 62.83 1jfm n THR 62 Cb 1.06 -1.54 -0.02 0.00 -1.82 0.00 0.00 70.33 68.01 1jfm n THR 62 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1jfm h GLN 63 N 0.00 0.64 -0.75 -2.82 5.75 -1.81 -1.59 115.11 114.53 1jfm h GLN 63 Ca 0.01 -0.21 0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1jfm h GLN 63 Cb 0.03 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.45 1jfm h GLN 63 CO -0.06 0.76 0.39 -1.35 -2.65 0.00 0.00 178.83 175.91 1jfm h PRO 64 N 0.45 0.62 -0.57 -2.39 0.11 -1.62 -0.62 132.00 127.98 1jfm h PRO 64 Ca 0.10 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 1jfm h PRO 64 Cb 0.48 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1jfm h PRO 64 CO 0.02 0.41 0.00 -0.07 -0.21 0.00 0.00 178.00 178.15 1jfm h LEU 65 N 0.64 0.98 -0.89 2.35 3.38 -0.85 -1.71 115.31 119.21 1jfm h LEU 65 Ca 0.37 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1jfm h LEU 65 Cb 0.40 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1jfm h LEU 65 CO -0.28 1.05 0.55 0.11 0.09 0.00 0.00 178.44 179.96 1jfm h LYS 66 N 0.89 0.96 -0.20 1.13 1.57 -0.14 -1.53 116.57 119.25 1jfm h LYS 66 Ca 0.16 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1jfm h LYS 66 Cb 0.54 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1jfm h LYS 66 CO 0.03 0.64 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.47 1jfm h ASN 67 N 0.99 0.48 -0.78 0.86 2.35 -0.98 -3.03 115.58 115.48 1jfm h ASN 67 Ca 0.39 -0.46 0.13 0.00 -0.55 0.00 0.00 56.30 55.81 1jfm h ASN 67 Cb 0.20 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 38.35 1jfm h ASN 67 CO -0.18 0.84 0.37 0.25 -1.65 0.00 0.00 177.43 177.05 1jfm h LEU 68 N 0.13 0.44 -1.53 1.61 6.46 -0.78 0.55 115.31 122.19 1jfm h LEU 68 Ca 0.04 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1jfm h LEU 68 Cb 0.69 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1jfm h LEU 68 CO 0.04 0.20 0.00 0.00 -0.62 0.00 0.00 178.44 178.06 1jfm h GLN 70 N 0.00 0.00 -0.33 0.00 1.08 0.16 -2.16 115.11 113.86 1jfm h GLN 70 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1jfm h GLN 70 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1jfm h GLN 70 CO 0.00 0.99 0.24 -0.22 -0.95 0.00 0.00 178.83 178.89 1jfm h LYS 71 N -1.00 0.01 0.13 1.46 3.11 -0.26 -1.65 116.57 118.37 1jfm h LYS 71 Ca -0.03 -0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.52 1jfm h LYS 71 Cb 1.02 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 1jfm h LYS 71 CO -0.02 0.01 -1.35 -0.07 -2.81 0.00 0.00 179.45 175.21 1jfm h LEU 72 N 0.01 0.42 -1.18 5.20 3.38 -1.04 -1.18 115.31 120.92 1jfm h LEU 72 Ca 0.16 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jfm h LEU 72 Cb 0.62 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1jfm h LEU 72 CO -0.00 1.39 0.52 -0.09 0.09 0.00 0.00 178.44 180.34 1jfm h ARG 73 N 0.07 1.07 0.33 1.13 2.43 -0.61 -1.68 114.38 117.12 1jfm h ARG 73 Ca -0.17 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1jfm h ARG 73 Cb 1.99 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 1jfm h ARG 73 CO 0.19 0.72 -0.16 -0.91 -1.51 0.00 0.00 179.97 178.30 1jfm h ASN 74 N 1.09 -0.37 -0.31 -3.80 2.35 -1.51 -2.67 115.58 110.36 1jfm h ASN 74 Ca 0.29 -0.16 0.09 0.00 -0.55 0.00 0.00 56.30 55.97 1jfm h ASN 74 Cb -0.10 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1jfm h ASN 74 CO -0.06 0.08 0.69 0.11 -1.65 0.00 0.00 177.43 176.60 1jfm h LYS 75 N -0.95 0.00 0.00 0.81 6.56 -0.98 1.05 116.57 123.06 1jfm h LYS 75 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1jfm h LYS 75 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1jfm h LYS 75 CO 0.07 0.00 -1.03 0.28 -2.06 0.00 0.00 179.45 176.71 1jfm n VAL 76 N -3.07 0.00 0.02 0.50 0.31 -0.65 -3.64 118.33 111.80 1jfm n VAL 76 Ca 0.06 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1jfm n VAL 76 Cb 0.81 0.93 -0.09 0.00 -0.91 0.00 0.00 33.84 34.58 1jfm n VAL 76 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1jfm n SER 77 N -1.53 0.82 0.10 4.52 7.64 0.34 -3.72 113.62 121.79 1jfm n SER 77 Ca 0.03 0.36 0.12 0.00 1.01 0.00 0.00 58.87 60.40 1jfm n SER 77 Cb 0.33 0.19 0.28 0.00 -1.01 0.00 0.00 64.21 64.00 1jfm n SER 77 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1jfm h ASN 78 N 0.00 0.00 -3.53 6.43 2.35 -1.18 -3.46 115.58 116.20 1jfm h ASN 78 Ca -0.19 -0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 54.96 1jfm h ASN 78 Cb 1.64 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.98 1jfm h ASN 78 CO 0.05 0.04 0.23 -0.89 -1.65 0.00 0.00 177.43 175.21 1jfm s THR 79 N -3.15 4.49 -0.22 2.81 2.01 -1.24 -5.06 115.64 115.28 1jfm s THR 79 Ca 0.08 1.80 -0.07 0.00 0.31 0.00 0.00 61.69 63.82 1jfm s THR 79 Cb 0.12 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1jfm s THR 79 CO 0.66 0.42 0.06 -0.54 -0.69 0.00 0.00 174.62 174.52 1jfm s LYS 80 N -0.52 3.75 0.00 4.92 1.02 -1.26 -4.98 119.74 122.67 1jfm s LYS 80 Ca 0.40 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1jfm s LYS 80 Cb -0.23 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1jfm s LYS 80 CO 0.27 -0.01 0.00 1.33 -0.92 0.00 0.00 175.35 176.02 1jfm n VAL 81 N 4.37 0.00 -1.20 3.17 0.24 -1.26 -5.07 118.33 118.59 1jfm n VAL 81 Ca -0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.71 1jfm n VAL 81 Cb 0.52 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.77 1jfm n VAL 81 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1jfm n ASP 82 N 0.00 0.42 -2.05 -1.34 9.92 -1.26 -4.62 116.55 117.62 1jfm n ASP 82 Ca 0.00 0.34 -0.29 0.00 -0.53 0.00 0.00 54.79 54.31 1jfm n ASP 82 Cb 0.00 -0.78 -0.04 0.00 -0.64 0.00 0.00 41.12 39.65 1jfm n ASP 82 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1jfm n THR 83 N 6.08 0.00 -3.21 -3.53 -1.04 -1.26 -4.93 114.28 106.38 1jfm n THR 83 Ca 0.53 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.52 1jfm n THR 83 Cb -0.00 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 1jfm n THR 83 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1jfm s HIS 84 N 1.26 -1.50 -0.20 -1.42 3.76 -1.26 -5.13 115.29 110.79 1jfm s HIS 84 Ca 0.45 0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 56.18 1jfm s HIS 84 Cb -0.64 0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 1jfm s HIS 84 CO 0.35 -1.02 -0.06 0.15 -0.85 0.00 0.00 174.74 173.31 1jfm s LYS 85 N 2.72 3.39 0.00 1.40 -0.14 -1.26 -3.66 119.74 122.18 1jfm s LYS 85 Ca 0.11 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.09 1jfm s LYS 85 Cb -0.11 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 1jfm s LYS 85 CO -0.27 -0.10 0.00 0.25 -0.76 0.00 0.00 175.35 174.47 1jfm n THR 86 N 4.50 0.00 -0.07 2.17 -2.24 -1.26 -4.89 114.28 112.50 1jfm n THR 86 Ca -0.18 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 1jfm n THR 86 Cb 0.51 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 1jfm n THR 86 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1jfm h ASN 87 N 0.00 0.08 0.00 3.42 -0.73 -2.01 -3.50 115.58 112.83 1jfm h ASN 87 Ca 0.00 -0.75 0.00 0.00 1.87 0.00 0.00 56.30 57.42 1jfm h ASN 87 Cb 0.00 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.56 1jfm h ASN 87 CO 0.00 1.34 0.00 0.61 -0.37 0.00 0.00 177.43 179.01 1jfm n GLY 88 N 1.56 0.89 3.91 1.57 0.00 -1.24 -5.01 105.19 106.87 1jfm n GLY 88 Ca -0.23 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 1jfm n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jfm s TYR 89 N 0.00 3.49 0.00 1.61 4.12 -1.26 -4.89 117.35 120.41 1jfm s TYR 89 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 57.07 57.70 1jfm s TYR 89 Cb 0.00 -2.08 0.00 0.00 -1.52 0.00 0.00 41.96 38.36 1jfm s TYR 89 CO 0.00 0.13 0.00 -0.35 0.02 0.00 0.00 175.55 175.35 1jfm n PRO 90 N -1.18 0.00 -3.37 -1.71 -0.04 -1.26 -4.81 135.00 122.62 1jfm n PRO 90 Ca -0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.37 1jfm n PRO 90 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 1jfm n PRO 90 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1jfm s HIS 91 N 0.00 -0.96 0.04 0.54 2.46 -1.26 -4.48 115.29 111.63 1jfm s HIS 91 Ca 0.00 1.13 -0.00 0.00 0.47 0.00 0.00 55.06 56.65 1jfm s HIS 91 Cb 0.00 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.58 1jfm s HIS 91 CO 0.00 -0.71 0.17 -1.17 -2.47 0.00 0.00 174.74 170.57 1jfm s LEU 92 N 2.62 4.25 -0.14 8.88 2.96 -0.20 -0.90 118.68 136.15 1jfm s LEU 92 Ca 0.11 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 1jfm s LEU 92 Cb -0.15 -2.75 0.05 0.00 0.50 0.00 0.00 46.19 43.85 1jfm s LEU 92 CO -0.16 0.20 0.08 -1.58 -1.32 0.00 0.00 176.35 173.57 1jfm s GLN 93 N -2.27 0.08 0.11 1.98 2.00 -0.19 -0.90 119.66 120.47 1jfm s GLN 93 Ca 0.31 -0.01 0.03 0.00 -2.00 0.00 0.00 55.36 53.70 1jfm s GLN 93 Cb -0.13 -1.58 -0.04 0.00 0.80 0.00 0.00 33.01 32.07 1jfm s GLN 93 CO 0.23 -0.60 0.12 0.08 -0.50 0.00 0.00 175.29 174.63 1jfm s VAL 94 N 2.13 4.64 -0.12 1.34 1.01 -0.04 -1.34 120.40 128.01 1jfm s VAL 94 Ca 0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1jfm s VAL 94 Cb -0.15 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1jfm s VAL 94 CO -0.08 0.04 0.04 -0.89 0.00 0.00 0.00 175.10 174.22 1jfm s THR 95 N -1.53 0.20 -0.20 3.92 2.01 0.40 -1.24 115.64 119.20 1jfm s THR 95 Ca 0.31 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 1jfm s THR 95 Cb -0.12 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1jfm s THR 95 CO 0.23 0.00 0.09 -0.32 -0.69 0.00 0.00 174.62 173.93 1jfm s MET 96 N 2.03 4.00 -0.25 4.92 1.75 0.19 -0.57 119.30 131.36 1jfm s MET 96 Ca 0.03 -0.32 -0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1jfm s MET 96 Cb -0.14 -3.30 0.07 0.00 2.84 0.00 0.00 34.83 34.30 1jfm s MET 96 CO -0.06 0.21 0.02 0.42 -0.65 0.00 0.00 175.02 174.96 1jfm s ILE 97 N 0.56 1.13 -0.44 10.11 1.01 -0.35 -0.02 121.20 133.20 1jfm s ILE 97 Ca 0.05 -1.18 -0.12 0.00 0.00 0.00 0.00 60.65 59.39 1jfm s ILE 97 Cb -0.13 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.80 1jfm s ILE 97 CO 0.01 -0.34 0.32 -0.47 0.00 0.00 0.00 174.94 174.46 1jfm s TYR 98 N 1.55 3.29 0.64 3.97 5.04 0.13 -1.95 117.35 130.02 1jfm s TYR 98 Ca 0.01 -1.25 -0.17 0.00 -2.44 0.00 0.00 57.07 53.23 1jfm s TYR 98 Cb -0.18 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.07 1jfm s TYR 98 CO -0.12 -0.82 1.17 -2.14 -1.34 0.00 0.00 175.55 172.30 1jfm s PRO 99 N 1.52 2.75 0.27 4.97 0.02 -1.25 -0.34 135.00 142.94 1jfm s PRO 99 Ca 0.03 1.68 0.10 0.00 0.02 0.00 0.00 61.00 62.83 1jfm s PRO 99 Cb -0.24 -1.92 0.34 0.00 0.02 0.00 0.00 34.50 32.70 1jfm s PRO 99 CO 0.04 -1.34 1.60 0.37 -0.33 0.00 0.00 177.00 177.34 1jfm h GLN 100 N 0.40 0.03 -5.91 5.54 4.15 -1.91 -3.42 115.11 113.98 1jfm h GLN 100 Ca -0.49 -0.02 -0.58 0.00 0.77 0.00 0.00 58.65 58.33 1jfm h GLN 100 Cb 1.28 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 1jfm h GLN 100 CO 0.54 0.64 0.34 0.45 -1.93 0.00 0.00 178.83 178.86 1jfm s SER 101 N -6.85 6.92 0.22 -0.69 0.15 -1.26 -5.00 113.70 107.19 1jfm s SER 101 Ca -0.02 1.13 0.06 0.00 0.70 0.00 0.00 55.95 57.83 1jfm s SER 101 Cb 0.13 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 1jfm s SER 101 CO 0.77 -0.37 -0.09 -1.10 1.20 0.00 0.00 173.24 173.65 1jfm s GLN 102 N 2.04 1.36 0.33 5.44 -1.52 -1.26 -4.89 119.66 121.17 1jfm s GLN 102 Ca 0.37 -1.64 0.03 0.00 -1.95 0.00 0.00 55.36 52.17 1jfm s GLN 102 Cb -0.17 -1.00 0.03 0.00 -0.22 0.00 0.00 33.01 31.66 1jfm s GLN 102 CO 0.12 0.09 0.28 0.41 -0.25 0.00 0.00 175.29 175.94 1jfm n GLY 103 N -0.42 2.74 0.48 3.09 0.00 -1.26 -4.97 105.19 104.85 1jfm n GLY 103 Ca -0.07 -2.24 0.32 0.00 0.00 0.00 0.00 46.02 44.02 1jfm n GLY 103 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jfm h ARG 104 N 0.00 0.15 -6.31 1.61 3.08 -2.02 -3.39 114.38 107.51 1jfm h ARG 104 Ca -0.20 -0.01 -0.69 0.00 0.07 0.00 0.00 59.98 59.14 1jfm h ARG 104 Cb 0.77 -0.03 -0.28 0.00 0.08 0.00 0.00 29.97 30.50 1jfm h ARG 104 CO 0.32 0.10 -0.84 0.95 -1.07 0.00 0.00 179.97 179.43 1jfm s THR 105 N -5.19 2.47 -0.48 2.04 -4.23 -1.26 -5.05 115.64 103.94 1jfm s THR 105 Ca -0.07 -0.94 -0.45 0.00 -1.18 0.00 0.00 61.69 59.06 1jfm s THR 105 Cb 0.25 -1.92 -0.19 0.00 1.34 0.00 0.00 72.50 71.98 1jfm s THR 105 CO 0.81 0.58 1.84 -2.65 -0.54 0.00 0.00 174.62 174.66 1jfm n PRO 106 N 2.56 0.13 -3.46 3.99 -0.02 -1.26 -4.78 135.00 132.16 1jfm n PRO 106 Ca -0.17 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.93 1jfm n PRO 106 Cb 0.52 -1.59 -0.08 0.00 -0.02 0.00 0.00 33.50 32.33 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 4.37 5.95 0.23 2.55 0.01 -1.26 -3.92 113.70 121.62 1jfm s SER 107 Ca 1.10 -1.53 0.03 0.00 1.31 0.00 0.00 55.95 56.86 1jfm s SER 107 Cb -1.44 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 62.63 1jfm s SER 107 CO 0.73 -0.66 0.02 0.00 0.41 0.00 0.00 173.24 173.75 1jfm s ALA 108 N 1.54 1.73 -0.06 1.44 0.00 -1.26 -3.86 121.76 121.28 1jfm s ALA 108 Ca 0.04 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.20 1jfm s ALA 108 Cb -0.25 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.55 1jfm s ALA 108 CO 0.04 -0.32 0.14 -0.08 0.00 0.00 0.00 175.76 175.54 1jfm s THR 109 N -3.54 -0.05 -0.23 0.00 -1.32 -0.82 -0.52 115.64 109.16 1jfm s THR 109 Ca 0.30 0.17 -0.06 0.00 -1.21 0.00 0.00 61.69 60.89 1jfm s THR 109 Cb 0.06 -0.22 -0.02 0.00 -1.51 0.00 0.00 72.50 70.81 1jfm s THR 109 CO 0.09 0.07 0.03 0.26 -2.21 0.00 0.00 174.62 172.86 1jfm s TRP 110 N 1.06 3.05 -0.16 9.09 0.52 0.42 -1.21 118.94 131.71 1jfm s TRP 110 Ca -0.08 -0.51 -0.03 0.00 0.02 0.00 0.00 56.10 55.49 1jfm s TRP 110 Cb -0.11 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 1jfm s TRP 110 CO -0.05 -0.35 -0.05 -1.21 0.02 0.00 0.00 176.95 175.31 1jfm s GLU 111 N 1.40 3.61 -0.00 4.98 2.02 0.27 -1.21 118.70 129.76 1jfm s GLU 111 Ca 0.05 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 54.54 1jfm s GLU 111 Cb -0.15 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1jfm s GLU 111 CO 0.02 0.19 -0.14 -0.06 0.02 0.00 0.00 175.26 175.29 1jfm s PHE 112 N 0.49 2.70 -0.12 1.61 0.40 -0.89 -0.45 117.98 121.71 1jfm s PHE 112 Ca -0.04 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1jfm s PHE 112 Cb -0.14 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 41.87 1jfm s PHE 112 CO 0.03 0.26 0.06 1.21 0.70 0.00 0.00 175.22 177.48 1jfm s ASN 113 N -1.16 1.94 -0.24 1.36 3.84 -0.45 -3.23 114.94 117.00 1jfm s ASN 113 Ca 0.14 -0.35 -0.07 0.00 0.21 0.00 0.00 52.86 52.78 1jfm s ASN 113 Cb -0.11 -0.28 -0.03 0.00 -0.55 0.00 0.00 41.25 40.28 1jfm s ASN 113 CO 0.04 -0.29 0.07 -0.63 -2.79 0.00 0.00 177.10 173.50 1jfm s ILE 114 N 2.09 4.36 -0.15 -5.21 1.01 -0.66 -1.02 121.20 121.62 1jfm s ILE 114 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1jfm s ILE 114 Cb -0.14 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1jfm s ILE 114 CO -0.06 0.35 0.00 -1.20 0.00 0.00 0.00 174.94 174.02 1jfm n SER 115 N 4.83 -0.51 0.00 3.58 7.64 -0.08 0.09 113.62 129.17 1jfm n SER 115 Ca -0.16 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1jfm n SER 115 Cb 0.51 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.51 -0.02 -0.10 6.43 10.43 -1.26 -4.88 116.55 127.66 1jfm n ASP 116 Ca -0.01 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.11 1jfm n ASP 116 Cb 0.11 -0.33 -0.11 0.00 1.84 0.00 0.00 41.12 42.63 1jfm n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1jfm n SER 117 N -0.00 1.92 -4.44 -2.24 7.64 0.11 -4.96 113.62 111.65 1jfm n SER 117 Ca 0.00 0.35 -0.33 0.00 1.01 0.00 0.00 58.87 59.90 1jfm n SER 117 Cb 0.00 -0.89 -0.13 0.00 -1.01 0.00 0.00 64.21 62.18 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 -2.43 2.85 -0.04 1.43 1.51 -0.95 -4.91 117.35 114.81 1jfm s TYR 118 Ca -0.31 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1jfm s TYR 118 Cb 0.09 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1jfm s TYR 118 CO 0.58 -0.03 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.81 1jfm s PHE 119 N 0.00 1.28 0.19 2.71 2.99 -1.26 -1.65 117.98 122.25 1jfm s PHE 119 Ca -0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 56.93 56.40 1jfm s PHE 119 Cb -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 43.02 41.98 1jfm s PHE 119 CO 0.04 -0.16 0.42 -0.59 -0.00 0.00 0.00 175.22 174.93 1jfm s PHE 120 N 0.26 0.16 -0.15 0.36 -0.71 -1.20 -2.14 117.98 114.56 1jfm s PHE 120 Ca -0.06 -0.52 -0.10 0.00 -1.04 0.00 0.00 56.93 55.22 1jfm s PHE 120 Cb -0.11 0.19 0.05 0.00 -1.21 0.00 0.00 43.02 41.93 1jfm s PHE 120 CO 0.02 -0.85 0.38 0.99 -1.34 0.00 0.00 175.22 174.41 1jfm s THR 121 N -3.93 -0.02 -0.16 -4.49 2.01 -0.50 -2.10 115.64 106.44 1jfm s THR 121 Ca 0.14 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 1jfm s THR 121 Cb 0.01 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1jfm s THR 121 CO 0.00 0.03 0.01 0.12 -0.69 0.00 0.00 174.62 174.09 1jfm s PHE 122 N 0.99 3.15 -0.26 4.92 5.99 -0.35 -2.46 117.98 129.95 1jfm s PHE 122 Ca -0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 56.93 56.73 1jfm s PHE 122 Cb -0.07 -2.00 -0.00 0.00 0.00 0.00 0.00 43.02 40.95 1jfm s PHE 122 CO -0.08 0.10 0.03 0.71 -0.00 0.00 0.00 175.22 175.98 1jfm s TYR 123 N 0.27 3.07 -0.74 10.12 1.51 -0.29 -0.44 117.35 130.85 1jfm s TYR 123 Ca 0.00 -0.90 0.25 0.00 -1.01 0.00 0.00 57.07 55.41 1jfm s TYR 123 Cb -0.13 -2.19 0.92 0.00 -0.11 0.00 0.00 41.96 40.44 1jfm s TYR 123 CO 0.02 -0.54 1.75 0.25 -1.11 0.00 0.00 175.55 175.92 1jfm n THR 124 N 4.84 0.60 0.22 -0.71 -2.24 0.32 -2.22 114.28 115.09 1jfm n THR 124 Ca -0.16 -0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1jfm n THR 124 Cb 0.49 -0.78 0.49 0.00 -2.10 0.00 0.00 70.33 68.43 1jfm n THR 124 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jfm h GLU 125 N 0.00 0.01 0.00 -0.78 4.81 -1.73 -3.27 114.58 113.62 1jfm h GLU 125 Ca 0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1jfm h GLU 125 Cb 0.54 -0.00 -0.25 0.00 0.63 0.00 0.00 28.75 29.66 1jfm h GLU 125 CO 0.00 0.20 -0.83 0.27 -0.73 0.00 0.00 179.01 177.93 1jfm n ASN 126 N -4.31 0.60 -4.23 1.04 2.04 -1.23 -4.85 115.26 104.32 1jfm n ASN 126 Ca -0.02 -1.98 -0.30 0.00 -0.44 0.00 0.00 54.58 51.84 1jfm n ASN 126 Cb 0.25 -0.24 -0.08 0.00 -2.53 0.00 0.00 39.78 37.19 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 0.32 -1.59 -4.27 -3.83 2.81 -0.94 -4.94 117.12 104.68 1jfm n MET 127 Ca 0.03 0.18 -0.26 0.00 -1.81 0.00 0.00 57.70 55.83 1jfm n MET 127 Cb 0.98 -3.88 -0.09 0.00 -0.71 0.00 0.00 33.22 29.53 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 -4.34 4.43 0.35 7.83 1.04 -1.04 -4.97 113.70 117.00 1jfm s SER 128 Ca 0.03 -0.53 0.08 0.00 0.48 0.00 0.00 55.95 56.01 1jfm s SER 128 Cb -0.02 -0.82 -0.07 0.00 0.10 0.00 0.00 66.02 65.22 1jfm s SER 128 CO 0.97 0.09 -0.04 0.26 0.98 0.00 0.00 173.24 175.50 1jfm s TRP 129 N -1.76 2.33 -0.26 5.02 0.52 -1.26 -1.14 118.94 122.39 1jfm s TRP 129 Ca 0.26 -0.64 -0.22 0.00 0.02 0.00 0.00 56.10 55.52 1jfm s TRP 129 Cb -0.09 -1.47 0.07 0.00 -1.15 0.00 0.00 33.47 30.84 1jfm s TRP 129 CO 0.17 0.43 0.68 1.03 0.02 0.00 0.00 176.95 179.28 1jfm s ARG 130 N -3.69 0.78 0.05 4.98 0.52 -1.03 -5.01 118.95 115.55 1jfm s ARG 130 Ca 0.33 1.00 0.06 0.00 -0.52 0.00 0.00 55.73 56.61 1jfm s ARG 130 Cb 0.06 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.84 1jfm s ARG 130 CO 0.16 -0.11 -0.18 -1.54 0.02 0.00 0.00 175.30 173.66 1jfm s SER 131 N 0.61 2.12 0.05 0.23 1.04 -1.26 -1.41 113.70 115.07 1jfm s SER 131 Ca -0.02 -0.54 -0.27 0.00 0.48 0.00 0.00 55.95 55.61 1jfm s SER 131 Cb -0.05 -0.14 -0.17 0.00 0.10 0.00 0.00 66.02 65.76 1jfm s SER 131 CO -0.03 0.07 1.52 0.00 0.98 0.00 0.00 173.24 175.78 1jfm h ALA 132 N 4.70 -0.37 -3.00 5.32 0.00 -1.77 -3.47 119.26 120.67 1jfm h ALA 132 Ca -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jfm h ALA 132 Cb 1.17 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jfm h ALA 132 CO 0.43 -0.64 0.00 0.09 0.00 0.00 0.00 179.25 179.13 1jfm n ASN 133 N -5.19 0.00 0.00 0.00 3.02 -1.26 -4.98 115.26 106.85 1jfm n ASN 133 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1jfm n ASN 133 Cb 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1jfm n ASN 133 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jfm n ASP 134 N 0.00 3.51 -0.04 6.41 9.92 -1.26 -3.56 116.55 131.53 1jfm n ASP 134 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.10 1jfm n ASP 134 Cb 0.00 0.19 -0.05 0.00 -0.64 0.00 0.00 41.12 40.62 1jfm n ASP 134 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1jfm h GLU 135 N 0.00 0.79 0.09 -1.24 4.39 -2.00 -1.13 114.58 115.49 1jfm h GLU 135 Ca 0.00 -0.59 -0.27 0.00 0.34 0.00 0.00 59.36 58.85 1jfm h GLU 135 Cb 0.78 0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1jfm h GLU 135 CO 0.00 1.21 -1.15 1.03 -1.16 0.00 0.00 179.01 178.94 1jfm h SER 136 N 0.57 0.58 0.83 1.42 0.87 -1.90 -3.21 113.55 112.71 1jfm h SER 136 Ca -0.03 -0.54 -0.02 0.00 -1.23 0.00 0.00 61.79 59.97 1jfm h SER 136 Cb 1.30 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1jfm h SER 136 CO 0.14 1.38 -0.11 1.23 -0.53 0.00 0.00 176.83 178.94 1jfm h GLY 137 N 1.11 0.00 0.57 5.77 0.00 -1.58 -3.22 103.07 105.73 1jfm h GLY 137 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1jfm h GLY 137 CO 0.20 0.00 -0.37 -2.08 0.00 0.00 0.00 176.54 174.29 1jfm h VAL 138 N 0.00 0.24 -0.81 4.60 2.07 -1.20 -2.46 116.25 118.69 1jfm h VAL 138 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1jfm h VAL 138 Cb 0.56 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1jfm h VAL 138 CO 0.01 0.00 0.52 0.40 0.02 0.00 0.00 177.57 178.52 1jfm h ILE 139 N -0.74 1.12 -0.68 4.57 2.04 -1.71 -1.42 117.51 120.70 1jfm h ILE 139 Ca -0.02 -0.34 0.14 0.00 1.00 0.00 0.00 64.86 65.64 1jfm h ILE 139 Cb 0.68 0.03 -0.13 0.00 -0.74 0.00 0.00 36.82 36.66 1jfm h ILE 139 CO -0.09 0.18 -0.13 -0.03 0.00 0.00 0.00 178.15 178.08 1jfm h MET 140 N 1.00 0.02 -0.01 2.37 4.05 -1.48 0.26 114.93 121.14 1jfm h MET 140 Ca 0.32 -0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.54 1jfm h MET 140 Cb 0.02 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1jfm h MET 140 CO -0.12 0.01 -0.86 -0.91 0.23 0.00 0.00 176.91 175.27 1jfm h ASN 141 N 0.02 0.37 -0.28 1.39 2.35 -0.94 -0.05 115.58 118.44 1jfm h ASN 141 Ca 0.33 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1jfm h ASN 141 Cb 0.52 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1jfm h ASN 141 CO -0.67 1.07 0.03 0.50 -1.65 0.00 0.00 177.43 176.71 1jfm h LYS 142 N 0.17 0.57 0.02 0.81 3.64 -0.14 -2.37 116.57 119.28 1jfm h LYS 142 Ca -0.05 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 1jfm h LYS 142 Cb 1.47 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1jfm h LYS 142 CO 0.14 0.57 -0.40 -1.49 -2.27 0.00 0.00 179.45 176.00 1jfm h TRP 143 N 0.55 0.35 0.00 1.91 4.06 -0.98 -3.10 115.95 118.74 1jfm h TRP 143 Ca 0.12 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.86 1jfm h TRP 143 Cb 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1jfm h TRP 143 CO 0.01 1.06 0.31 1.17 -3.56 0.00 0.00 178.44 177.43 1jfm n LYS 144 N -4.39 0.08 0.18 0.49 4.81 -0.04 0.22 118.16 119.51 1jfm n LYS 144 Ca -0.11 0.53 0.06 0.00 -0.87 0.00 0.00 58.31 57.93 1jfm n LYS 144 Cb 0.59 -2.06 0.19 0.00 0.02 0.00 0.00 35.03 33.78 1jfm n LYS 144 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1jfm h ASP 145 N 0.00 0.00 -2.40 3.14 3.32 -1.36 -3.41 116.42 115.71 1jfm h ASP 145 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1jfm h ASP 145 Cb 0.62 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.09 1jfm h ASP 145 CO 0.00 0.33 1.05 -0.62 -1.72 0.00 0.00 179.24 178.28 1jfm s ASP 146 N -6.33 6.17 0.33 6.45 3.68 0.13 -4.87 116.67 122.24 1jfm s ASP 146 Ca 0.03 -0.43 0.01 0.00 2.13 0.00 0.00 52.55 54.29 1jfm s ASP 146 Cb 0.08 -2.56 0.57 0.00 -1.45 0.00 0.00 42.92 39.56 1jfm s ASP 146 CO 0.70 -1.82 1.97 1.23 0.13 0.00 0.00 175.17 177.38 1jfm h GLY 147 N 12.95 0.92 0.01 2.66 0.00 -1.85 -2.29 103.07 115.47 1jfm h GLY 147 Ca -0.28 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1jfm h GLY 147 CO 1.27 0.37 -0.15 0.83 0.00 0.00 0.00 176.54 178.86 1jfm h GLU 148 N 0.87 -0.19 -0.72 4.80 4.39 -1.97 -1.66 114.58 120.10 1jfm h GLU 148 Ca 0.23 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.07 1jfm h GLU 148 Cb -0.02 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 28.54 1jfm h GLU 148 CO -0.04 -0.13 -0.30 0.35 -1.16 0.00 0.00 179.01 177.73 1jfm h PHE 149 N -0.20 -0.79 -0.44 4.33 3.04 -1.88 -1.77 116.94 119.23 1jfm h PHE 149 Ca 0.00 0.08 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 1jfm h PHE 149 Cb 0.21 0.45 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 1jfm h PHE 149 CO -0.38 -0.37 0.06 0.28 -2.02 0.00 0.00 178.31 175.88 1jfm h VAL 150 N -0.08 1.21 -0.36 1.41 2.07 -1.27 -2.26 116.25 116.98 1jfm h VAL 150 Ca 0.30 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1jfm h VAL 150 Cb 0.57 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1jfm h VAL 150 CO -0.78 0.29 -0.07 0.11 0.02 0.00 0.00 177.57 177.15 1jfm h LYS 151 N 0.66 0.60 0.54 1.57 1.57 -0.45 -2.23 116.57 118.82 1jfm h LYS 151 Ca 0.14 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1jfm h LYS 151 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1jfm h LYS 151 CO 0.01 0.67 -0.42 1.96 -0.57 0.00 0.00 179.45 181.09 1jfm h GLN 152 N 0.56 -0.91 -0.52 3.15 4.20 -0.86 0.15 115.11 120.88 1jfm h GLN 152 Ca 0.11 0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.98 1jfm h GLN 152 Cb 0.46 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 28.34 1jfm h GLN 152 CO 0.02 -0.61 -0.18 -0.07 -0.67 0.00 0.00 178.83 177.33 1jfm h LEU 153 N -0.94 -0.63 0.51 1.46 3.38 -1.29 -0.26 115.31 117.54 1jfm h LEU 153 Ca -0.06 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1jfm h LEU 153 Cb 0.80 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1jfm h LEU 153 CO 0.00 -0.21 -0.33 0.11 0.09 0.00 0.00 178.44 178.10 1jfm h LYS 154 N -0.05 -0.78 0.46 1.13 1.57 -1.07 -3.29 116.57 114.53 1jfm h LYS 154 Ca 0.25 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1jfm h LYS 154 Cb 0.43 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jfm h LYS 154 CO -0.56 -0.52 -0.24 0.35 -0.57 0.00 0.00 179.45 177.91 1jfm h PHE 155 N -0.81 -0.62 -0.81 -1.35 -0.00 -0.14 -2.35 116.94 110.87 1jfm h PHE 155 Ca -0.06 -0.01 0.22 0.00 -0.00 0.00 0.00 57.97 58.12 1jfm h PHE 155 Cb 0.67 0.21 -0.15 0.00 -0.00 0.00 0.00 35.95 36.68 1jfm h PHE 155 CO -0.11 -0.38 0.02 -0.11 -0.00 0.00 0.00 178.31 177.73 1jfm n LEU 156 N -5.37 -0.09 -0.00 0.59 -0.00 -0.16 0.41 117.00 112.37 1jfm n LEU 156 Ca -0.11 1.37 -0.18 0.00 -0.00 0.00 0.00 56.01 57.09 1jfm n LEU 156 Cb 0.28 -0.50 -0.10 0.00 -0.00 0.00 0.00 43.42 43.10 1jfm n LEU 156 CO 0.36 -1.39 0.25 0.40 -0.00 0.00 0.00 177.39 177.01 1jfm h ILE 157 N 0.00 1.36 -0.27 1.96 1.08 -1.59 -2.97 117.51 117.07 1jfm h ILE 157 Ca 0.49 -2.03 0.04 0.00 -0.39 0.00 0.00 64.86 62.97 1jfm h ILE 157 Cb 1.02 2.35 -0.04 0.00 -3.07 0.00 0.00 36.82 37.09 1jfm h ILE 157 CO -0.76 0.61 0.05 -0.74 -0.69 0.00 0.00 178.15 176.62 1jfm h HIS 158 N 0.16 0.08 0.14 1.37 2.76 0.51 0.28 115.15 120.43 1jfm h HIS 158 Ca -0.07 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1jfm h HIS 158 Cb 1.37 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 1jfm h HIS 158 CO 0.12 0.02 -0.13 0.93 -1.30 0.00 0.00 177.93 177.57 1jfm h GLU 159 N 0.15 -0.25 0.00 5.26 5.08 -0.64 -3.07 114.58 121.11 1jfm h GLU 159 Ca 0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jfm h GLU 159 Cb 0.13 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jfm h GLU 159 CO -0.17 -0.17 0.00 0.00 -1.00 0.00 0.00 179.01 177.67 1jfm h SER 161 N 0.00 -1.78 0.15 0.00 0.87 -0.34 0.11 113.55 112.56 1jfm h SER 161 Ca 0.00 0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1jfm h SER 161 Cb 0.07 0.77 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1jfm h SER 161 CO 0.00 -0.34 -0.07 -0.61 -0.53 0.00 0.00 176.83 175.28 1jfm h GLN 162 N -0.24 -0.19 0.00 2.24 4.15 -1.77 -2.35 115.11 116.95 1jfm h GLN 162 Ca 0.14 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1jfm h GLN 162 Cb 0.55 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1jfm h GLN 162 CO -0.71 -0.09 -0.02 0.87 -1.93 0.00 0.00 178.83 176.95 1jfm h LYS 163 N -0.25 0.00 0.08 1.69 1.57 -1.67 -2.04 116.57 115.95 1jfm h LYS 163 Ca -0.02 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.48 1jfm h LYS 163 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1jfm h LYS 163 CO 0.03 0.02 -1.39 0.52 -0.57 0.00 0.00 179.45 178.06 1jfm h MET 164 N 0.00 0.17 0.33 3.15 2.86 -0.52 -3.02 114.93 117.89 1jfm h MET 164 Ca -0.00 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1jfm h MET 164 Cb 0.07 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1jfm h MET 164 CO 0.00 1.03 -0.20 -0.44 1.06 0.00 0.00 176.91 178.36 1jfm h ASP 165 N 0.05 -0.50 -0.92 1.22 3.32 -0.85 -1.24 116.42 117.50 1jfm h ASP 165 Ca -0.18 0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.03 1jfm h ASP 165 Cb 1.95 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 41.57 1jfm h ASP 165 CO 0.15 -0.32 0.54 -0.33 -1.72 0.00 0.00 179.24 177.56 1jfm h GLU 166 N -0.51 0.81 -0.49 3.56 5.08 -1.59 -0.94 114.58 120.50 1jfm h GLU 166 Ca -0.03 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1jfm h GLU 166 Cb 0.42 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1jfm h GLU 166 CO 0.03 0.53 0.01 0.35 -1.00 0.00 0.00 179.01 178.94 1jfm h PHE 167 N 0.83 0.93 -0.27 4.33 3.57 -1.31 -3.19 116.94 121.84 1jfm h PHE 167 Ca 0.47 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 1jfm h PHE 167 Cb 0.54 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1jfm h PHE 167 CO -0.04 0.88 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.77 1jfm h LEU 168 N 0.72 0.53 -4.39 0.59 3.38 -0.39 -3.46 115.31 112.30 1jfm h LEU 168 Ca 0.14 -0.37 -0.42 0.00 0.09 0.00 0.00 57.88 57.31 1jfm h LEU 168 Cb 0.50 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1jfm h LEU 168 CO 0.02 0.78 0.31 0.29 0.09 0.00 0.00 178.44 179.93 1jfm n LYS 169 N -4.52 0.00 -1.94 1.13 4.76 -0.44 -4.93 118.16 112.22 1jfm n LYS 169 Ca -0.04 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 1jfm n LYS 169 Cb 0.31 -0.73 0.18 0.00 -1.84 0.00 0.00 35.03 32.95 1jfm n LYS 169 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1jfm s GLN 170 N 1.32 0.77 0.00 1.97 2.00 -1.26 -5.04 119.66 119.43 1jfm s GLN 170 Ca 0.51 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.49 1jfm s GLN 170 Cb -0.72 -1.86 0.00 0.00 0.80 0.00 0.00 33.01 31.23 1jfm s GLN 170 CO 0.39 -2.33 0.00 -1.13 -0.50 0.00 0.00 175.29 171.72 1jfm n SER 171 N -3.71 1.80 -4.41 6.67 3.41 -1.26 -4.99 113.62 111.14 1jfm n SER 171 Ca 0.15 -0.59 -0.48 0.00 -0.26 0.00 0.00 58.87 57.68 1jfm n SER 171 Cb 0.60 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.42 1jfm n SER 171 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jfm n LYS 172 N -0.06 0.17 -4.19 4.33 4.01 -1.26 -4.83 118.16 116.33 1jfm n LYS 172 Ca 0.00 0.03 -0.12 0.00 -0.51 0.00 0.00 58.31 57.71 1jfm n LYS 172 Cb 0.00 -1.71 -0.10 0.00 -0.51 0.00 0.00 35.03 32.71 1jfm n LYS 172 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1jfm s GLU 173 N 7.63 1.24 0.00 1.97 -1.05 -1.26 -5.30 118.70 121.93 1jfm s GLU 173 Ca 1.25 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1jfm s GLU 173 Cb -1.24 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 32.73 1jfm s GLU 173 CO 0.54 -0.41 0.00 1.17 0.95 0.00 0.00 175.26 177.50