#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfm n ALA 2 N 0.00 0.00 -2.80 -1.67 0.00 -1.26 -5.12 120.51 109.66 1jfm n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1jfm n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1jfm n ALA 2 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1jfm s HIS 3 N -3.40 0.35 0.14 0.00 3.76 -1.26 -5.09 115.29 109.80 1jfm s HIS 3 Ca 0.00 -0.71 0.05 0.00 -0.15 0.00 0.00 55.06 54.25 1jfm s HIS 3 Cb 0.00 -0.00 -0.04 0.00 1.11 0.00 0.00 32.58 33.65 1jfm s HIS 3 CO 0.00 -0.76 -0.12 -1.54 -0.85 0.00 0.00 174.74 171.47 1jfm s SER 4 N -2.96 1.88 -0.24 1.40 1.04 -1.26 -4.16 113.70 109.40 1jfm s SER 4 Ca 0.17 -0.93 -0.25 0.00 0.48 0.00 0.00 55.95 55.43 1jfm s SER 4 Cb 0.03 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1jfm s SER 4 CO 0.01 -0.25 0.83 -0.22 0.98 0.00 0.00 173.24 174.59 1jfm s LEU 5 N -2.87 4.09 -0.14 2.42 0.20 0.25 -4.32 118.68 118.30 1jfm s LEU 5 Ca 0.13 1.06 -0.01 0.00 0.69 0.00 0.00 54.13 56.00 1jfm s LEU 5 Cb -0.01 -3.20 -0.01 0.00 -0.43 0.00 0.00 46.19 42.54 1jfm s LEU 5 CO 0.02 -0.51 -0.12 -0.13 -0.29 0.00 0.00 176.35 175.32 1jfm s ARG 6 N 2.80 3.41 0.04 1.98 0.52 -0.41 -0.64 118.95 126.65 1jfm s ARG 6 Ca 0.35 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 54.96 1jfm s ARG 6 Cb -0.15 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1jfm s ARG 6 CO 0.08 0.18 -0.16 0.00 0.02 0.00 0.00 175.30 175.41 1jfm s ASN 8 N -1.49 2.91 -0.07 0.00 0.02 0.44 -1.73 114.94 115.01 1jfm s ASN 8 Ca 0.15 -0.71 -0.04 0.00 -1.02 0.00 0.00 52.86 51.24 1jfm s ASN 8 Cb -0.11 -0.91 -0.04 0.00 0.02 0.00 0.00 41.25 40.22 1jfm s ASN 8 CO 0.06 -0.20 0.13 -0.76 0.02 0.00 0.00 177.10 176.35 1jfm s LEU 9 N 1.63 4.23 -0.21 0.60 1.02 0.43 -1.90 118.68 124.48 1jfm s LEU 9 Ca 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 54.13 54.47 1jfm s LEU 9 Cb -0.16 -2.24 0.07 0.00 0.02 0.00 0.00 46.19 43.88 1jfm s LEU 9 CO -0.08 0.34 0.05 -0.89 0.02 0.00 0.00 176.35 175.79 1jfm s THR 10 N -1.13 0.54 -0.22 5.49 2.01 0.48 -1.20 115.64 121.61 1jfm s THR 10 Ca 0.20 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 1jfm s THR 10 Cb -0.12 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1jfm s THR 10 CO 0.10 -0.28 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.08 1jfm s ILE 11 N 1.84 3.46 0.00 1.82 1.01 -1.00 -1.75 121.20 126.58 1jfm s ILE 11 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1jfm s ILE 11 Cb -0.17 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1jfm s ILE 11 CO -0.11 0.42 0.00 2.29 0.00 0.00 0.00 174.94 177.54 1jfm n LYS 12 N 4.79 1.73 -3.96 2.79 2.85 -1.10 -0.46 118.16 124.80 1jfm n LYS 12 Ca -0.18 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.75 1jfm n LYS 12 Cb 0.51 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.83 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 -0.39 6.18 0.83 -5.58 1.11 -1.26 -4.76 116.67 112.80 1jfm s ASP 13 Ca 0.00 0.30 0.00 0.00 0.18 0.00 0.00 52.55 53.03 1jfm s ASP 13 Cb 0.00 -1.90 0.00 0.00 1.07 0.00 0.00 42.92 42.09 1jfm s ASP 13 CO 0.00 0.27 0.00 -0.81 1.18 0.00 0.00 175.17 175.81 1jfm n PRO 14 N 1.05 -1.47 0.00 8.23 -0.04 -1.26 -4.79 135.00 136.72 1jfm n PRO 14 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1jfm n PRO 14 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -2.65 0.00 0.00 0.52 -2.24 -1.25 -4.88 114.28 103.78 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 0.00 0.00 -0.02 -0.78 -0.02 -1.26 0.38 135.00 133.30 1jfm n PRO 16 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1jfm n PRO 16 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.61 1.43 -2.86 3.55 0.00 -1.26 -4.62 120.51 116.14 1jfm n ALA 17 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 1jfm n ALA 17 Cb 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.09 -2.50 -0.09 0.00 9.92 1.22 -5.08 116.55 116.94 1jfm n ASP 18 Ca -0.19 -3.03 -0.10 0.00 -0.53 0.00 0.00 54.79 50.94 1jfm n ASP 18 Cb 1.05 1.30 -0.05 0.00 -0.64 0.00 0.00 41.12 42.79 1jfm n ASP 18 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1jfm h PRO 19 N 4.45 -0.35 -2.41 -0.24 0.13 -1.42 -3.31 132.00 128.83 1jfm h PRO 19 Ca -0.02 0.02 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1jfm h PRO 19 Cb 1.03 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1jfm h PRO 19 CO 0.25 -0.24 0.48 -0.11 -0.23 0.00 0.00 178.00 178.15 1jfm n LEU 20 N -5.42 0.34 -0.95 1.56 0.00 -1.26 -4.26 117.00 107.00 1jfm n LEU 20 Ca -0.02 0.31 0.12 0.00 0.00 0.00 0.00 56.01 56.43 1jfm n LEU 20 Cb 0.35 -0.36 0.16 0.00 0.00 0.00 0.00 43.42 43.57 1jfm n LEU 20 CO 0.07 -0.32 0.66 -2.67 0.00 0.00 0.00 177.39 175.14 1jfm n TRP 21 N 2.74 0.10 -3.59 1.96 4.27 -1.26 -4.73 117.44 116.93 1jfm n TRP 21 Ca 0.20 -0.05 -0.12 0.00 -3.89 0.00 0.00 57.50 53.64 1jfm n TRP 21 Cb -0.02 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.87 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 -1.90 -0.50 -0.17 -2.67 -0.85 -1.25 -2.71 117.35 107.29 1jfm s TYR 22 Ca 0.31 1.02 -0.21 0.00 -0.52 0.00 0.00 57.07 57.67 1jfm s TYR 22 Cb 0.21 0.40 0.05 0.00 0.38 0.00 0.00 41.96 43.00 1jfm s TYR 22 CO 0.31 -0.37 0.56 -2.00 -1.52 0.00 0.00 175.55 172.52 1jfm s GLU 23 N -0.60 0.72 -0.00 -3.49 2.12 -0.71 -3.80 118.70 112.93 1jfm s GLU 23 Ca -0.02 0.60 -0.02 0.00 0.36 0.00 0.00 54.97 55.89 1jfm s GLU 23 Cb -0.02 0.35 -0.00 0.00 0.26 0.00 0.00 34.13 34.71 1jfm s GLU 23 CO 0.01 -0.13 0.03 0.00 -0.54 0.00 0.00 175.26 174.63 1jfm s ALA 24 N -0.11 -0.06 -0.03 6.30 0.00 -0.76 -0.39 121.76 126.71 1jfm s ALA 24 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1jfm s ALA 24 Cb -0.03 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1jfm s ALA 24 CO 0.03 -0.07 0.05 0.15 0.00 0.00 0.00 175.76 175.92 1jfm s LYS 25 N -0.49 -0.03 -0.15 0.00 1.02 -0.80 -1.82 119.74 117.47 1jfm s LYS 25 Ca -0.06 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.21 1jfm s LYS 25 Cb -0.03 -0.30 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1jfm s LYS 25 CO -0.00 -0.21 -0.19 0.00 -0.92 0.00 0.00 175.35 174.03 1jfm s PHE 27 N 0.89 1.41 -0.33 0.00 0.40 -0.14 -1.63 117.98 118.59 1jfm s PHE 27 Ca -0.05 -0.67 0.03 0.00 -0.60 0.00 0.00 56.93 55.65 1jfm s PHE 27 Cb -0.15 -0.70 0.10 0.00 0.51 0.00 0.00 43.02 42.78 1jfm s PHE 27 CO -0.03 0.17 0.04 0.08 0.70 0.00 0.00 175.22 176.18 1jfm s VAL 28 N -2.98 2.04 0.00 -0.44 1.01 -0.55 -1.28 120.40 118.19 1jfm s VAL 28 Ca 0.17 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.02 1jfm s VAL 28 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1jfm s VAL 28 CO 0.03 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1jfm n GLY 29 N 4.37 1.63 0.01 4.51 0.00 -1.26 -2.28 105.19 112.16 1jfm n GLY 29 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 0.85 -1.81 1.61 1.02 -1.26 -4.99 120.64 116.05 1jfm n GLU 30 Ca 0.00 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1jfm n GLU 30 Cb 0.00 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.27 3.26 0.64 -3.67 1.01 -0.96 -4.98 121.20 114.23 1jfm s ILE 31 Ca -0.02 0.28 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 1jfm s ILE 31 Cb 0.03 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1jfm s ILE 31 CO 0.19 -0.15 1.06 -0.22 0.00 0.00 0.00 174.94 175.82 1jfm s LEU 32 N 6.67 3.36 0.00 2.97 0.20 -1.26 -1.48 118.68 129.14 1jfm s LEU 32 Ca 0.88 1.78 0.00 0.00 0.69 0.00 0.00 54.13 57.48 1jfm s LEU 32 Cb -0.31 -4.52 0.00 0.00 -0.43 0.00 0.00 46.19 40.93 1jfm s LEU 32 CO 0.35 -1.34 0.00 -0.38 -0.29 0.00 0.00 176.35 174.68 1jfm n ILE 33 N -2.46 0.00 -4.28 6.68 5.41 -0.64 -4.92 119.36 119.15 1jfm n ILE 33 Ca 0.09 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.52 1jfm n ILE 33 Cb 0.53 -0.37 -0.09 0.00 -0.71 0.00 0.00 39.64 39.00 1jfm n ILE 33 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1jfm s LEU 34 N -4.98 3.34 -0.29 1.39 1.43 -1.23 -4.95 118.68 113.39 1jfm s LEU 34 Ca 0.00 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1jfm s LEU 34 Cb 0.00 -2.00 0.17 0.00 0.03 0.00 0.00 46.19 44.40 1jfm s LEU 34 CO 0.00 0.23 0.48 -2.28 0.23 0.00 0.00 176.35 175.01 1jfm s HIS 35 N -1.15 -1.32 0.38 0.29 2.46 -1.25 -2.57 115.29 112.13 1jfm s HIS 35 Ca 0.21 0.69 0.08 0.00 0.47 0.00 0.00 55.06 56.51 1jfm s HIS 35 Cb -0.11 0.05 -0.06 0.00 -0.13 0.00 0.00 32.58 32.33 1jfm s HIS 35 CO 0.13 -1.00 0.07 -0.51 -2.47 0.00 0.00 174.74 170.96 1jfm s LEU 36 N 2.66 3.00 0.00 8.88 1.43 -0.75 -4.97 118.68 128.93 1jfm s LEU 36 Ca 0.11 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1jfm s LEU 36 Cb -0.12 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1jfm s LEU 36 CO -0.27 -0.39 0.00 -1.54 0.23 0.00 0.00 176.35 174.38 1jfm n SER 37 N -1.05 0.00 -0.46 2.29 3.41 -1.26 -1.84 113.62 114.71 1jfm n SER 37 Ca -0.03 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1jfm n SER 37 Cb 0.64 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 65.00 1jfm n SER 37 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jfm n ASN 38 N 0.00 1.39 0.00 4.04 2.04 -1.25 -4.82 115.26 116.66 1jfm n ASN 38 Ca 0.00 -1.66 0.00 0.00 -0.44 0.00 0.00 54.58 52.48 1jfm n ASN 38 Cb 0.00 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 1jfm n ASN 38 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 1jfm n ILE 39 N 0.14 0.00 -3.45 1.53 2.08 -1.26 -5.06 119.36 113.33 1jfm n ILE 39 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1jfm n ILE 39 Cb 0.29 -0.04 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 1jfm n ILE 39 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1jfm n ASN 40 N 0.00 0.77 -4.73 4.38 3.02 -1.26 -5.19 115.26 112.25 1jfm n ASN 40 Ca 0.00 -0.45 -0.23 0.00 -0.03 0.00 0.00 54.58 53.87 1jfm n ASN 40 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1jfm n ASN 40 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1jfm s LYS 41 N -0.36 2.46 0.00 3.52 -2.85 -1.26 -5.03 119.74 116.21 1jfm s LYS 41 Ca 0.00 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 1jfm s LYS 41 Cb 0.00 -2.25 0.00 0.00 -2.06 0.00 0.00 37.83 33.52 1jfm s LYS 41 CO 0.00 0.21 0.00 2.41 0.10 0.00 0.00 175.35 178.07 1jfm n THR 42 N -1.11 0.00 -0.51 3.79 -1.04 -1.26 -5.14 114.28 109.01 1jfm n THR 42 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1jfm n THR 42 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1jfm n THR 42 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1jfm n MET 43 N -0.11 0.00 -3.94 -2.82 1.56 -1.26 -5.16 117.12 105.39 1jfm n MET 43 Ca 0.00 0.18 -0.36 0.00 -0.27 0.00 0.00 57.70 57.25 1jfm n MET 43 Cb 0.00 -0.33 -0.06 0.00 2.15 0.00 0.00 33.22 34.98 1jfm n MET 43 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1jfm s THR 44 N 0.00 5.35 0.09 1.12 -4.23 -1.26 -5.15 115.64 111.56 1jfm s THR 44 Ca 0.00 0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.62 1jfm s THR 44 Cb 0.00 -3.37 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 1jfm s THR 44 CO 0.00 0.54 -0.15 -0.94 -0.54 0.00 0.00 174.62 173.52 1jfm s SER 45 N -1.27 1.89 0.00 3.99 1.04 -1.26 -4.92 113.70 113.17 1jfm s SER 45 Ca 0.18 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1jfm s SER 45 Cb -0.12 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1jfm s SER 45 CO 0.08 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1jfm n GLY 46 N 1.10 0.98 0.00 7.32 0.00 -1.26 -4.99 105.19 108.34 1jfm n GLY 46 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.53 0.00 0.00 1.61 8.00 -1.26 -5.13 116.55 119.24 1jfm n ASP 47 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jfm n ASP 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jfm n ASP 47 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jfm n PRO 48 N 0.00 0.00 0.00 -0.24 -0.04 -1.26 -4.85 135.00 128.61 1jfm n PRO 48 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jfm n PRO 48 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 2.70 2.51 0.19 0.55 0.00 -1.26 -4.74 105.19 105.15 1jfm n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.56 0.00 -4.25 1.61 1.02 -1.26 -4.87 120.64 111.33 1jfm n GLU 50 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1jfm n GLU 50 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1jfm n GLU 50 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1jfm n THR 51 N -1.23 -0.66 0.00 2.62 5.66 -1.26 -3.32 114.28 116.08 1jfm n THR 51 Ca 0.00 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1jfm n THR 51 Cb 0.00 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 67.98 1jfm n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jfm n ALA 52 N -4.21 0.00 0.32 1.79 0.00 -1.26 -0.96 120.51 116.20 1jfm n ALA 52 Ca -0.19 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.40 1jfm n ALA 52 Cb 0.59 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.57 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 0.00 0.00 0.57 0.00 -0.26 -1.98 -2.58 115.58 111.32 1jfm h ASN 53 Ca 0.00 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.45 1jfm h ASN 53 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1jfm h ASN 53 CO 0.00 0.00 -1.35 0.00 -1.06 0.00 0.00 177.43 175.02 1jfm h ALA 54 N 2.10 0.16 0.00 -0.83 0.00 -1.12 -2.07 119.26 117.51 1jfm h ALA 54 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 1jfm h ALA 54 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1jfm h ALA 54 CO 0.00 1.03 -0.19 1.15 0.00 0.00 0.00 179.25 181.25 1jfm h THR 55 N 0.07 0.48 0.02 0.00 2.02 -1.51 0.71 112.91 114.71 1jfm h THR 55 Ca -0.17 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1jfm h THR 55 Cb 1.99 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1jfm h THR 55 CO 0.19 0.18 -0.01 -0.33 0.37 0.00 0.00 175.52 175.92 1jfm h GLU 56 N 0.00 -0.03 -0.37 6.66 4.39 -1.36 -2.04 114.58 121.83 1jfm h GLU 56 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1jfm h GLU 56 Cb 0.68 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1jfm h GLU 56 CO 0.02 0.61 -0.28 0.28 -1.16 0.00 0.00 179.01 178.49 1jfm h VAL 57 N -0.71 1.28 -0.35 3.13 2.07 -1.18 -2.05 116.25 118.44 1jfm h VAL 57 Ca -0.00 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1jfm h VAL 57 Cb 0.65 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1jfm h VAL 57 CO 0.01 0.47 0.14 0.50 0.02 0.00 0.00 177.57 178.70 1jfm h LYS 58 N 0.67 0.29 -0.55 1.57 3.64 0.39 -1.38 116.57 121.20 1jfm h LYS 58 Ca 0.08 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1jfm h LYS 58 Cb 0.80 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1jfm h LYS 58 CO 0.07 0.19 0.06 0.87 -2.27 0.00 0.00 179.45 178.37 1jfm h LYS 59 N 0.30 0.90 -0.05 1.90 1.57 -1.18 -2.21 116.57 117.80 1jfm h LYS 59 Ca 0.15 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1jfm h LYS 59 Cb 0.11 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jfm h LYS 59 CO -0.14 0.86 -0.00 0.00 -0.57 0.00 0.00 179.45 179.60 1jfm h LEU 61 N -0.22 0.98 -0.25 0.00 3.38 -1.25 -3.40 115.31 114.55 1jfm h LEU 61 Ca 0.01 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1jfm h LEU 61 Cb 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1jfm h LEU 61 CO 0.00 1.32 -0.15 0.41 0.09 0.00 0.00 178.44 180.11 1jfm n THR 62 N -4.01 -0.17 0.19 0.22 -1.04 -0.84 -0.79 114.28 107.84 1jfm n THR 62 Ca -0.04 1.57 -0.14 0.00 -2.04 0.00 0.00 64.05 63.40 1jfm n THR 62 Cb 0.62 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.01 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 -0.45 -1.02 -2.82 1.08 -1.81 -0.60 115.11 109.48 1jfm h GLN 63 Ca 0.04 0.03 0.27 0.00 -1.45 0.00 0.00 58.65 57.54 1jfm h GLN 63 Cb 0.10 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.56 1jfm h GLN 63 CO -0.24 -0.19 0.69 -1.00 -0.95 0.00 0.00 178.83 177.14 1jfm h PRO 64 N -0.67 0.28 -0.09 1.46 0.13 -1.72 0.94 132.00 132.32 1jfm h PRO 64 Ca -0.05 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1jfm h PRO 64 Cb 0.48 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 1jfm h PRO 64 CO 0.08 0.18 -0.16 -0.07 -0.23 0.00 0.00 178.00 177.81 1jfm h LEU 65 N 0.29 0.30 -0.86 1.56 3.38 -0.72 -2.62 115.31 116.62 1jfm h LEU 65 Ca 0.55 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1jfm h LEU 65 Cb 1.60 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 1jfm h LEU 65 CO -0.19 0.78 0.53 0.11 0.09 0.00 0.00 178.44 179.76 1jfm h LYS 66 N -0.18 0.92 0.00 1.13 1.57 0.71 -0.43 116.57 120.29 1jfm h LYS 66 Ca 0.01 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1jfm h LYS 66 Cb 0.73 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1jfm h LYS 66 CO 0.04 0.61 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.27 1jfm h ASN 67 N 0.94 0.00 -0.19 0.86 2.35 -0.98 -1.95 115.58 116.61 1jfm h ASN 67 Ca 0.39 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.05 1jfm h ASN 67 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1jfm h ASN 67 CO -0.19 0.34 -0.22 0.25 -1.65 0.00 0.00 177.43 175.96 1jfm h LEU 68 N 0.00 0.53 -0.97 1.61 6.46 -0.72 -0.52 115.31 121.69 1jfm h LEU 68 Ca -0.00 -0.49 -0.05 0.00 -0.12 0.00 0.00 57.88 57.22 1jfm h LEU 68 Cb 0.68 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1jfm h LEU 68 CO 0.04 0.91 0.18 0.00 -0.62 0.00 0.00 178.44 178.96 1jfm h GLN 70 N 0.90 -0.06 -0.09 0.00 -0.00 -1.21 0.60 115.11 115.26 1jfm h GLN 70 Ca 0.20 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.90 1jfm h GLN 70 Cb 0.27 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.71 1jfm h GLN 70 CO -0.01 -0.04 -0.21 -0.22 0.00 0.00 0.00 178.83 178.36 1jfm h LYS 71 N -0.06 -0.28 0.00 1.69 3.11 -0.43 -2.26 116.57 118.33 1jfm h LYS 71 Ca -0.01 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 1jfm h LYS 71 Cb 0.05 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1jfm h LYS 71 CO 0.01 -0.18 -0.14 -0.07 -2.81 0.00 0.00 179.45 176.25 1jfm h LEU 72 N -0.29 0.00 -1.15 5.20 3.38 -0.55 -1.00 115.31 120.90 1jfm h LEU 72 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1jfm h LEU 72 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1jfm h LEU 72 CO -0.26 0.14 -0.37 -0.09 0.09 0.00 0.00 178.44 177.95 1jfm h ARG 73 N 0.00 0.00 0.08 1.13 1.12 -0.26 -1.83 114.38 114.62 1jfm h ARG 73 Ca -0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.53 1jfm h ARG 73 Cb 0.42 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.35 1jfm h ARG 73 CO 0.02 0.37 -1.92 0.09 -3.11 0.00 0.00 179.97 175.42 1jfm n ASN 74 N -3.76 1.64 -0.14 -3.80 3.02 -0.92 -3.06 115.26 108.24 1jfm n ASN 74 Ca -0.01 0.27 0.06 0.00 -0.03 0.00 0.00 54.58 54.87 1jfm n ASN 74 Cb 0.45 -0.53 0.37 0.00 -0.61 0.00 0.00 39.78 39.47 1jfm n ASN 74 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1jfm h LYS 75 N 0.04 0.68 0.22 3.52 1.63 -1.10 -1.50 116.57 120.06 1jfm h LYS 75 Ca -0.38 -0.04 -0.34 0.00 -0.85 0.00 0.00 60.65 59.04 1jfm h LYS 75 Cb 2.03 -0.15 0.02 0.00 -0.60 0.00 0.00 32.23 33.53 1jfm h LYS 75 CO 0.08 0.45 -1.60 0.28 -3.45 0.00 0.00 179.45 175.21 1jfm h VAL 76 N 0.71 1.11 0.00 2.00 2.07 -1.46 -3.15 116.25 117.53 1jfm h VAL 76 Ca 0.28 -2.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.13 1jfm h VAL 76 Cb 0.21 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1jfm h VAL 76 CO -0.08 0.83 -0.39 0.28 0.02 0.00 0.00 177.57 178.23 1jfm h SER 77 N 0.10 0.00 1.27 0.57 0.02 -1.44 -2.39 113.55 111.68 1jfm h SER 77 Ca -0.30 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 1jfm h SER 77 Cb 2.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.64 1jfm h SER 77 CO 0.22 0.39 -0.28 -1.13 -1.14 0.00 0.00 176.83 174.88 1jfm h ASN 78 N 0.00 0.00 -3.71 3.07 -1.24 -1.39 -3.46 115.58 108.85 1jfm h ASN 78 Ca -0.00 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 56.50 1jfm h ASN 78 Cb 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.80 1jfm h ASN 78 CO 0.05 0.28 0.44 -0.89 -1.29 0.00 0.00 177.43 176.02 1jfm s THR 79 N -3.35 3.80 -0.18 -3.57 2.01 -0.90 -5.06 115.64 108.39 1jfm s THR 79 Ca 0.03 1.71 -0.09 0.00 0.31 0.00 0.00 61.69 63.65 1jfm s THR 79 Cb 0.09 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1jfm s THR 79 CO 0.68 0.37 0.13 -0.54 -0.69 0.00 0.00 174.62 174.57 1jfm s LYS 80 N -1.00 4.02 0.00 4.92 1.02 -1.26 -5.01 119.74 122.43 1jfm s LYS 80 Ca 0.45 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1jfm s LYS 80 Cb -0.29 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1jfm s LYS 80 CO 0.36 0.40 0.00 1.33 -0.92 0.00 0.00 175.35 176.53 1jfm n VAL 81 N 3.19 0.00 0.02 3.17 0.24 -1.26 -5.03 118.33 118.66 1jfm n VAL 81 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1jfm n VAL 81 Cb 0.53 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 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 2.33 -4.87 -1.34 9.92 -1.26 -5.06 116.55 116.27 1jfm n ASP 82 Ca 0.00 -0.27 -0.30 0.00 -0.53 0.00 0.00 54.79 53.69 1jfm n ASP 82 Cb 0.00 1.02 -0.01 0.00 -0.64 0.00 0.00 41.12 41.49 1jfm n ASP 82 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1jfm s THR 83 N -1.55 4.73 -0.18 -3.53 2.01 -1.26 -5.05 115.64 110.81 1jfm s THR 83 Ca 0.00 0.75 -0.23 0.00 0.31 0.00 0.00 61.69 62.52 1jfm s THR 83 Cb 0.01 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1jfm s THR 83 CO 0.04 -0.83 0.72 -1.38 -0.69 0.00 0.00 174.62 172.48 1jfm s HIS 84 N -2.76 3.41 0.55 4.92 -3.43 -1.26 -5.05 115.29 111.66 1jfm s HIS 84 Ca 0.53 1.09 -0.17 0.00 -0.80 0.00 0.00 55.06 55.72 1jfm s HIS 84 Cb -0.10 -2.90 -0.06 0.00 -1.43 0.00 0.00 32.58 28.09 1jfm s HIS 84 CO 0.41 -0.19 1.03 -1.59 -2.00 0.00 0.00 174.74 172.41 1jfm s LYS 85 N 1.94 3.59 0.00 -0.38 -2.85 -1.26 -4.98 119.74 115.80 1jfm s LYS 85 Ca 0.34 1.18 0.00 0.00 -1.00 0.00 0.00 55.97 56.48 1jfm s LYS 85 Cb -0.16 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 1jfm s LYS 85 CO 0.12 -0.59 0.00 2.41 0.10 0.00 0.00 175.35 177.39 1jfm n THR 86 N -1.66 0.00 0.00 3.79 -1.04 -1.26 -4.91 114.28 109.20 1jfm n THR 86 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1jfm n THR 86 Cb 0.53 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1jfm n THR 86 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1jfm n ASN 87 N -2.16 0.00 0.00 8.00 2.85 -1.26 -5.09 115.26 117.60 1jfm n ASN 87 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1jfm n ASN 87 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1jfm n ASN 87 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jfm n GLY 88 N 0.00 -1.12 0.00 8.20 0.00 -1.26 -5.04 105.19 105.97 1jfm n GLY 88 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1jfm n GLY 88 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jfm n TYR 89 N 0.00 0.00 -0.81 1.61 9.36 -1.26 -4.70 117.16 121.35 1jfm n TYR 89 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 1jfm n TYR 89 Cb 0.00 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 38.82 1jfm n TYR 89 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1jfm n PRO 90 N 0.00 -0.61 -3.44 2.98 -0.02 -1.26 -4.87 135.00 127.78 1jfm n PRO 90 Ca 0.00 -0.15 -0.14 0.00 -2.02 0.00 0.00 63.50 61.19 1jfm n PRO 90 Cb 0.00 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.24 -0.52 0.11 6.00 2.46 -1.26 -4.13 115.29 115.71 1jfm s HIS 91 Ca 0.52 0.52 0.04 0.00 0.47 0.00 0.00 55.06 56.60 1jfm s HIS 91 Cb -0.14 -0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 32.08 1jfm s HIS 91 CO 0.70 -0.64 0.11 -1.17 -2.47 0.00 0.00 174.74 171.27 1jfm s LEU 92 N 2.43 3.85 -0.20 8.88 2.96 0.39 0.36 118.68 137.35 1jfm s LEU 92 Ca 0.09 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1jfm s LEU 92 Cb -0.15 -2.49 0.07 0.00 0.50 0.00 0.00 46.19 44.11 1jfm s LEU 92 CO -0.14 0.13 0.08 -1.58 -1.32 0.00 0.00 176.35 173.53 1jfm s GLN 93 N -2.69 0.23 0.03 1.98 2.00 0.16 -2.38 119.66 118.99 1jfm s GLN 93 Ca 0.30 -0.25 0.05 0.00 -2.00 0.00 0.00 55.36 53.46 1jfm s GLN 93 Cb -0.11 -1.80 -0.03 0.00 0.80 0.00 0.00 33.01 31.86 1jfm s GLN 93 CO 0.23 -0.72 -0.10 0.08 -0.50 0.00 0.00 175.29 174.27 1jfm s VAL 94 N 2.05 3.36 -0.16 1.34 1.01 -0.34 -1.19 120.40 126.48 1jfm s VAL 94 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1jfm s VAL 94 Cb -0.16 -2.46 0.06 0.00 0.00 0.00 0.00 36.38 33.82 1jfm s VAL 94 CO -0.13 0.34 0.12 -0.89 0.00 0.00 0.00 175.10 174.54 1jfm s THR 95 N -1.00 -0.15 -0.10 3.92 2.01 -0.52 -0.43 115.64 119.36 1jfm s THR 95 Ca 0.17 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 1jfm s THR 95 Cb -0.11 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 1jfm s THR 95 CO 0.08 -0.18 0.23 -0.32 -0.69 0.00 0.00 174.62 173.73 1jfm s MET 96 N 2.19 3.76 -0.29 4.92 -2.45 -0.71 -0.87 119.30 125.86 1jfm s MET 96 Ca 0.03 0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.52 1jfm s MET 96 Cb -0.15 -3.26 0.08 0.00 1.25 0.00 0.00 34.83 32.75 1jfm s MET 96 CO -0.09 0.63 0.02 0.42 1.05 0.00 0.00 175.02 177.05 1jfm s ILE 97 N -0.67 1.59 -0.37 10.11 1.01 -0.42 -1.65 121.20 130.79 1jfm s ILE 97 Ca 0.17 -1.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.09 1jfm s ILE 97 Cb -0.13 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.33 1jfm s ILE 97 CO 0.06 -0.40 0.22 -0.47 0.00 0.00 0.00 174.94 174.34 1jfm s TYR 98 N 1.30 3.24 0.39 3.97 5.04 0.19 -2.96 117.35 128.53 1jfm s TYR 98 Ca 0.03 -0.85 -0.05 0.00 -2.44 0.00 0.00 57.07 53.76 1jfm s TYR 98 Cb -0.18 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.63 1jfm s TYR 98 CO -0.12 -0.61 0.67 -1.25 -1.34 0.00 0.00 175.55 172.90 1jfm s PRO 99 N 1.58 3.58 -0.03 4.97 0.05 -1.26 0.86 135.00 144.76 1jfm s PRO 99 Ca 0.03 0.07 -0.30 0.00 0.05 0.00 0.00 61.00 60.85 1jfm s PRO 99 Cb -0.19 -2.51 -0.06 0.00 0.05 0.00 0.00 34.50 31.79 1jfm s PRO 99 CO 0.07 0.00 1.68 -1.14 0.05 0.00 0.00 177.00 177.66 1jfm s GLN 100 N -4.23 4.18 -0.29 4.56 0.74 -1.26 -4.87 119.66 118.49 1jfm s GLN 100 Ca 0.45 2.24 -0.18 0.00 0.05 0.00 0.00 55.36 57.93 1jfm s GLN 100 Cb -0.10 -3.93 -0.02 0.00 1.10 0.00 0.00 33.01 30.05 1jfm s GLN 100 CO 0.37 -0.83 0.52 0.45 -0.55 0.00 0.00 175.29 175.25 1jfm s SER 101 N 3.27 6.40 0.00 6.67 0.15 -1.26 -4.33 113.70 124.59 1jfm s SER 101 Ca 0.75 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1jfm s SER 101 Cb -0.35 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1jfm s SER 101 CO 0.31 -0.35 0.00 0.00 1.20 0.00 0.00 173.24 174.40 1jfm n GLN 102 N 5.61 1.65 -1.34 5.44 10.64 -1.26 -4.99 117.38 133.13 1jfm n GLN 102 Ca -0.04 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.78 1jfm n GLN 102 Cb 0.50 -0.81 0.10 0.00 -0.86 0.00 0.00 30.24 29.17 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 2.28 0.14 3.27 2.61 0.00 -1.26 -4.93 105.19 107.30 1jfm n GLY 103 Ca 0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.67 -1.24 0.00 1.61 1.74 -1.26 -4.55 116.66 110.29 1jfm n ARG 104 Ca 0.14 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1jfm n ARG 104 Cb 0.49 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1jfm n ARG 104 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1jfm n THR 105 N -4.19 0.00 -1.62 0.55 5.66 -1.26 -4.65 114.28 108.78 1jfm n THR 105 Ca 0.01 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.51 1jfm n THR 105 Cb 0.62 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 1jfm n THR 105 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1jfm n PRO 106 N 0.09 1.45 -4.10 1.09 -0.02 -1.26 -4.98 135.00 127.26 1jfm n PRO 106 Ca 0.00 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1jfm n PRO 106 Cb 0.00 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 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 0.65 0.86 0.24 2.55 0.01 -1.26 -4.81 113.70 111.94 1jfm s SER 107 Ca 0.83 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 1jfm s SER 107 Cb -0.87 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 1jfm s SER 107 CO 0.44 -0.38 0.28 0.00 0.41 0.00 0.00 173.24 173.99 1jfm s ALA 108 N -2.70 0.76 -0.07 1.44 0.00 -1.26 -4.33 121.76 115.59 1jfm s ALA 108 Ca 0.01 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.53 1jfm s ALA 108 Cb -0.01 1.28 0.02 0.00 0.00 0.00 0.00 23.12 24.40 1jfm s ALA 108 CO -0.03 -0.70 -0.11 0.95 0.00 0.00 0.00 175.76 175.87 1jfm s THR 109 N -3.94 1.10 -0.24 0.00 -4.23 -1.15 -1.75 115.64 105.42 1jfm s THR 109 Ca 0.33 -0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 60.32 1jfm s THR 109 Cb 0.04 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 1jfm s THR 109 CO 0.13 0.35 0.10 0.26 -0.54 0.00 0.00 174.62 174.93 1jfm s TRP 110 N 0.82 3.15 -0.16 3.99 0.52 -0.41 -1.30 118.94 125.55 1jfm s TRP 110 Ca -0.12 -0.17 -0.04 0.00 0.02 0.00 0.00 56.10 55.79 1jfm s TRP 110 Cb -0.15 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 1jfm s TRP 110 CO 0.02 -0.20 -0.02 -1.21 0.02 0.00 0.00 176.95 175.55 1jfm s GLU 111 N 1.41 3.69 -0.10 4.98 2.02 -0.05 -1.11 118.70 129.56 1jfm s GLU 111 Ca 0.06 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1jfm s GLU 111 Cb -0.15 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 1jfm s GLU 111 CO 0.05 0.22 -0.12 -0.06 0.02 0.00 0.00 175.26 175.37 1jfm s PHE 112 N 0.44 2.81 -0.24 1.61 0.40 -0.41 -1.44 117.98 121.16 1jfm s PHE 112 Ca -0.03 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1jfm s PHE 112 Cb -0.14 -1.76 0.07 0.00 0.51 0.00 0.00 43.02 41.70 1jfm s PHE 112 CO 0.03 0.02 0.02 1.21 0.70 0.00 0.00 175.22 177.20 1jfm s ASN 113 N -0.19 3.50 -0.25 1.36 3.84 -0.33 -2.56 114.94 120.30 1jfm s ASN 113 Ca 0.01 -1.14 -0.10 0.00 0.21 0.00 0.00 52.86 51.84 1jfm s ASN 113 Cb -0.13 -0.86 -0.04 0.00 -0.55 0.00 0.00 41.25 39.66 1jfm s ASN 113 CO 0.03 -0.31 0.15 -0.63 -2.79 0.00 0.00 177.10 173.55 1jfm s ILE 114 N 1.64 5.06 -0.43 -5.21 1.01 0.20 -0.66 121.20 122.81 1jfm s ILE 114 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1jfm s ILE 114 Cb -0.18 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1jfm s ILE 114 CO -0.11 0.31 0.00 -1.20 0.00 0.00 0.00 174.94 173.94 1jfm n SER 115 N 4.70 -3.45 0.00 3.58 7.64 0.16 -0.62 113.62 125.63 1jfm n SER 115 Ca -0.15 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1jfm n SER 115 Cb 0.52 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.18 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 0.30 -2.09 -0.11 6.43 10.43 -1.26 -4.82 116.55 125.42 1jfm n ASP 116 Ca -0.04 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.12 1jfm n ASP 116 Cb 0.33 -1.06 -0.09 0.00 1.84 0.00 0.00 41.12 42.14 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 -0.15 1.95 -4.62 -2.24 7.64 0.21 -5.00 113.62 111.40 1jfm n SER 117 Ca 0.00 0.09 -0.34 0.00 1.01 0.00 0.00 58.87 59.63 1jfm n SER 117 Cb 0.08 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 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 -2.41 3.16 -0.01 1.43 1.51 -0.52 -4.97 117.35 115.55 1jfm s TYR 118 Ca -0.30 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1jfm s TYR 118 Cb 0.10 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1jfm s TYR 118 CO 0.43 0.24 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.99 1jfm s PHE 119 N -0.17 0.70 0.06 2.71 0.08 -1.26 -0.63 117.98 119.47 1jfm s PHE 119 Ca 0.05 -0.14 -0.26 0.00 0.12 0.00 0.00 56.93 56.69 1jfm s PHE 119 Cb -0.12 -0.48 0.09 0.00 -0.57 0.00 0.00 43.02 41.93 1jfm s PHE 119 CO 0.02 -0.04 0.75 -0.59 -0.10 0.00 0.00 175.22 175.25 1jfm s PHE 120 N -0.01 -0.46 0.09 0.36 -0.71 -1.06 -1.71 117.98 114.49 1jfm s PHE 120 Ca 0.00 0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.29 1jfm s PHE 120 Cb -0.05 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1jfm s PHE 120 CO -0.00 -0.68 -0.08 0.99 -1.34 0.00 0.00 175.22 174.12 1jfm s THR 121 N -3.12 0.75 -0.10 -4.49 2.01 0.20 -1.28 115.64 109.61 1jfm s THR 121 Ca 0.01 -1.77 0.03 0.00 0.31 0.00 0.00 61.69 60.27 1jfm s THR 121 Cb -0.01 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 71.03 1jfm s THR 121 CO -0.09 -0.74 -0.19 0.12 -0.69 0.00 0.00 174.62 173.04 1jfm s PHE 122 N -3.06 2.24 -0.35 4.92 5.99 -0.27 -1.27 117.98 126.18 1jfm s PHE 122 Ca 0.08 -0.99 -0.06 0.00 0.00 0.00 0.00 56.93 55.96 1jfm s PHE 122 Cb 0.01 -1.54 0.05 0.00 0.00 0.00 0.00 43.02 41.54 1jfm s PHE 122 CO -0.03 -0.45 0.11 0.71 -0.00 0.00 0.00 175.22 175.57 1jfm s TYR 123 N 0.66 3.29 0.48 10.12 1.51 0.20 -1.29 117.35 132.33 1jfm s TYR 123 Ca -0.13 -1.57 0.14 0.00 -1.01 0.00 0.00 57.07 54.50 1jfm s TYR 123 Cb -0.16 -2.40 1.14 0.00 -0.11 0.00 0.00 41.96 40.42 1jfm s TYR 123 CO 0.03 -0.77 2.09 1.15 -1.11 0.00 0.00 175.55 176.94 1jfm h THR 124 N 6.22 1.00 0.10 -0.71 2.02 -1.64 0.11 112.91 120.00 1jfm h THR 124 Ca -0.22 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1jfm h THR 124 Cb 1.08 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1jfm h THR 124 CO 0.62 0.04 -0.48 -0.08 0.37 0.00 0.00 175.52 175.99 1jfm h GLU 125 N 0.21 -0.65 -0.29 6.66 4.81 -1.87 -3.11 114.58 120.33 1jfm h GLU 125 Ca 0.09 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1jfm h GLU 125 Cb 0.12 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1jfm h GLU 125 CO -0.02 -0.43 -0.00 0.27 -0.73 0.00 0.00 179.01 178.10 1jfm n ASN 126 N -5.16 3.48 -3.86 1.04 6.94 -1.20 -4.99 115.26 111.51 1jfm n ASN 126 Ca -0.08 -3.22 -0.30 0.00 -0.02 0.00 0.00 54.58 50.96 1jfm n ASN 126 Cb 0.37 -0.57 0.01 0.00 -2.36 0.00 0.00 39.78 37.23 1jfm n ASN 126 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1jfm n MET 127 N -0.71 -2.11 -4.33 -3.83 2.81 0.28 -4.97 117.12 104.26 1jfm n MET 127 Ca 0.25 0.39 -0.18 0.00 -1.81 0.00 0.00 57.70 56.35 1jfm n MET 127 Cb 0.94 -4.14 -0.10 0.00 -0.71 0.00 0.00 33.22 29.20 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 -3.93 2.29 0.03 7.83 1.04 -0.65 -4.93 113.70 115.38 1jfm s SER 128 Ca 0.24 -1.08 0.07 0.00 0.48 0.00 0.00 55.95 55.67 1jfm s SER 128 Cb -0.10 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1jfm s SER 128 CO 0.89 -0.30 -0.22 0.26 0.98 0.00 0.00 173.24 174.86 1jfm s TRP 129 N -3.14 1.90 -0.00 5.02 0.52 -1.26 0.61 118.94 122.58 1jfm s TRP 129 Ca 0.23 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 56.01 1jfm s TRP 129 Cb 0.02 -1.16 -0.01 0.00 -1.15 0.00 0.00 33.47 31.17 1jfm s TRP 129 CO 0.06 0.06 -0.10 1.03 0.02 0.00 0.00 176.95 178.03 1jfm s ARG 130 N -0.99 0.75 0.17 4.98 0.52 -0.40 -4.97 118.95 119.01 1jfm s ARG 130 Ca 0.08 -0.38 0.09 0.00 -0.52 0.00 0.00 55.73 55.00 1jfm s ARG 130 Cb -0.09 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 1jfm s ARG 130 CO 0.01 0.20 -0.20 -1.54 0.02 0.00 0.00 175.30 173.79 1jfm s SER 131 N -0.35 2.92 0.36 0.23 1.04 -1.26 0.61 113.70 117.25 1jfm s SER 131 Ca 0.03 -0.86 0.15 0.00 0.48 0.00 0.00 55.95 55.74 1jfm s SER 131 Cb -0.04 -0.19 0.68 0.00 0.10 0.00 0.00 66.02 66.56 1jfm s SER 131 CO -0.00 0.02 1.77 0.00 0.98 0.00 0.00 173.24 176.00 1jfm h ALA 132 N 3.23 1.18 -2.41 5.32 0.00 -1.71 -3.48 119.26 121.40 1jfm h ALA 132 Ca -0.43 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.22 1jfm h ALA 132 Cb 1.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1jfm h ALA 132 CO 0.50 0.52 0.47 0.27 0.00 0.00 0.00 179.25 181.01 1jfm n ASN 133 N -3.85 -1.45 0.20 0.00 2.04 -1.26 -5.04 115.26 105.89 1jfm n ASN 133 Ca -0.01 -1.78 0.08 0.00 -0.44 0.00 0.00 54.58 52.43 1jfm n ASN 133 Cb 0.47 2.36 0.28 0.00 -2.53 0.00 0.00 39.78 40.37 1jfm n ASN 133 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1jfm h ASP 134 N 1.61 0.00 -0.13 0.53 5.19 -1.97 -1.18 116.42 120.47 1jfm h ASP 134 Ca -0.23 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.10 1jfm h ASP 134 Cb 0.98 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1jfm h ASP 134 CO 0.30 0.28 -0.16 1.05 -3.12 0.00 0.00 179.24 177.59 1jfm h GLU 135 N 0.00 0.51 0.18 3.56 9.09 -1.99 -2.62 114.58 123.31 1jfm h GLU 135 Ca -0.00 -0.16 -0.34 0.00 0.05 0.00 0.00 59.36 58.90 1jfm h GLU 135 Cb 0.98 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 28.05 1jfm h GLU 135 CO 0.04 0.66 -1.69 0.77 0.05 0.00 0.00 179.01 178.83 1jfm h SER 136 N 0.47 0.61 0.00 3.06 0.02 -1.84 -3.28 113.55 112.58 1jfm h SER 136 Ca 0.08 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1jfm h SER 136 Cb 0.55 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jfm h SER 136 CO 0.04 1.72 0.03 1.23 -1.14 0.00 0.00 176.83 178.71 1jfm h GLY 137 N 0.80 0.00 0.49 -3.77 0.00 -1.08 -1.87 103.07 97.64 1jfm h GLY 137 Ca -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1jfm h GLY 137 CO 0.19 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.60 1jfm h VAL 138 N 0.00 1.16 0.01 4.60 2.07 -1.53 -1.99 116.25 120.56 1jfm h VAL 138 Ca 0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1jfm h VAL 138 Cb 0.07 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1jfm h VAL 138 CO 0.00 0.26 -0.00 0.40 0.02 0.00 0.00 177.57 178.24 1jfm h ILE 139 N -0.63 1.07 -0.81 4.57 2.04 -1.56 -2.99 117.51 119.21 1jfm h ILE 139 Ca -0.01 -0.23 0.14 0.00 1.00 0.00 0.00 64.86 65.75 1jfm h ILE 139 Cb 0.51 1.23 -0.14 0.00 -0.74 0.00 0.00 36.82 37.68 1jfm h ILE 139 CO 0.02 0.06 -0.34 -0.03 0.00 0.00 0.00 178.15 177.86 1jfm h MET 140 N -0.11 -0.06 0.00 2.37 4.05 -1.38 0.41 114.93 120.21 1jfm h MET 140 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1jfm h MET 140 Cb 0.11 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1jfm h MET 140 CO 0.00 -0.04 0.00 -0.91 0.23 0.00 0.00 176.91 176.19 1jfm h ASN 141 N -0.07 0.00 0.14 1.39 2.35 -1.21 0.56 115.58 118.74 1jfm h ASN 141 Ca 0.31 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.85 1jfm h ASN 141 Cb 0.58 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.97 1jfm h ASN 141 CO -0.85 0.00 -0.98 0.11 -1.65 0.00 0.00 177.43 174.06 1jfm h LYS 142 N 0.00 0.29 0.33 0.81 1.57 -0.15 -3.21 116.57 116.21 1jfm h LYS 142 Ca 0.00 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1jfm h LYS 142 Cb 0.18 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1jfm h LYS 142 CO 0.00 1.24 -0.16 -1.49 -0.57 0.00 0.00 179.45 178.47 1jfm h TRP 143 N -0.34 -0.42 0.00 -1.35 4.06 -0.16 -2.71 115.95 115.03 1jfm h TRP 143 Ca -0.19 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.75 1jfm h TRP 143 Cb 1.69 0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.98 1jfm h TRP 143 CO 0.18 -0.09 0.22 1.57 -3.56 0.00 0.00 178.44 176.76 1jfm h LYS 144 N -0.77 0.00 -0.13 0.49 2.10 -0.07 0.94 116.57 119.13 1jfm h LYS 144 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1jfm h LYS 144 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1jfm h LYS 144 CO 0.08 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.06 1jfm n ASP 145 N -2.61 1.38 -4.33 7.07 2.03 -1.02 -4.62 116.55 114.44 1jfm n ASP 145 Ca -0.02 -1.64 -0.46 0.00 0.52 0.00 0.00 54.79 53.20 1jfm n ASP 145 Cb 0.26 -0.08 -0.05 0.00 -0.72 0.00 0.00 41.12 40.53 1jfm n ASP 145 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jfm s ASP 146 N -1.60 6.19 0.15 1.67 3.68 0.33 -4.97 116.67 122.12 1jfm s ASP 146 Ca 0.32 -1.67 -0.23 0.00 2.13 0.00 0.00 52.55 53.10 1jfm s ASP 146 Cb 0.17 -2.24 0.03 0.00 -1.45 0.00 0.00 42.92 39.42 1jfm s ASP 146 CO 0.26 -0.95 1.62 1.23 0.13 0.00 0.00 175.17 177.45 1jfm h GLY 147 N 9.29 -0.24 0.94 2.66 0.00 -1.84 -1.27 103.07 112.61 1jfm h GLY 147 Ca -0.29 0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1jfm h GLY 147 CO 1.06 -0.21 0.26 0.83 0.00 0.00 0.00 176.54 178.49 1jfm h GLU 148 N -0.28 0.52 -0.68 4.80 4.39 -1.97 -0.38 114.58 120.97 1jfm h GLU 148 Ca 0.14 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1jfm h GLU 148 Cb 0.50 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1jfm h GLU 148 CO -0.42 0.34 0.43 0.35 -1.16 0.00 0.00 179.01 178.55 1jfm h PHE 149 N 0.53 0.80 -0.30 4.33 3.04 -1.85 0.18 116.94 123.66 1jfm h PHE 149 Ca 0.16 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 1jfm h PHE 149 Cb -0.02 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 1jfm h PHE 149 CO -0.06 0.45 -0.00 0.28 -2.02 0.00 0.00 178.31 176.96 1jfm h VAL 150 N 0.83 1.26 -0.26 1.41 2.07 -0.92 -2.86 116.25 117.78 1jfm h VAL 150 Ca 0.28 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1jfm h VAL 150 Cb 0.02 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1jfm h VAL 150 CO -0.11 0.31 -0.20 0.11 0.02 0.00 0.00 177.57 177.70 1jfm h LYS 151 N 0.33 -0.18 -0.98 1.57 1.57 -0.57 -0.39 116.57 117.92 1jfm h LYS 151 Ca 0.09 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.10 1jfm h LYS 151 Cb 0.44 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.68 1jfm h LYS 151 CO 0.02 -0.12 0.55 1.96 -0.57 0.00 0.00 179.45 181.29 1jfm h GLN 152 N -0.19 0.57 -0.49 3.15 4.20 -0.88 0.11 115.11 121.58 1jfm h GLN 152 Ca 0.14 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1jfm h GLN 152 Cb 0.41 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1jfm h GLN 152 CO -0.37 0.37 0.19 -0.07 -0.67 0.00 0.00 178.83 178.28 1jfm h LEU 153 N 0.58 0.69 -0.01 1.46 3.38 -0.85 -0.69 115.31 119.87 1jfm h LEU 153 Ca 0.61 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1jfm h LEU 153 Cb 1.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1jfm h LEU 153 CO -0.46 0.68 -0.05 0.11 0.09 0.00 0.00 178.44 178.81 1jfm h LYS 154 N 0.65 0.05 -0.95 1.13 1.57 -0.90 -3.27 116.57 114.86 1jfm h LYS 154 Ca 0.16 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1jfm h LYS 154 Cb 0.21 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 1jfm h LYS 154 CO -0.01 0.71 0.61 0.74 -0.57 0.00 0.00 179.45 180.93 1jfm h PHE 155 N -0.60 1.09 -0.77 -1.35 0.05 -0.83 0.12 116.94 114.65 1jfm h PHE 155 Ca -0.00 0.03 0.08 0.00 3.82 0.00 0.00 57.97 61.90 1jfm h PHE 155 Cb 0.72 -0.35 -0.07 0.00 2.00 0.00 0.00 35.95 38.24 1jfm h PHE 155 CO 0.16 0.53 0.43 1.25 -0.18 0.00 0.00 178.31 180.50 1jfm h LEU 156 N 1.04 0.62 0.11 1.54 7.12 -1.19 -0.92 115.31 123.62 1jfm h LEU 156 Ca 0.42 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.47 1jfm h LEU 156 Cb 0.27 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1jfm h LEU 156 CO -0.18 0.36 -0.05 0.40 -0.13 0.00 0.00 178.44 178.85 1jfm h ILE 157 N 0.74 1.05 -0.62 4.05 1.08 -1.06 -2.88 117.51 119.87 1jfm h ILE 157 Ca 0.37 -1.28 0.12 0.00 -0.39 0.00 0.00 64.86 63.68 1jfm h ILE 157 Cb 0.32 1.78 -0.12 0.00 -3.07 0.00 0.00 36.82 35.73 1jfm h ILE 157 CO -0.23 0.28 -0.19 -0.74 -0.69 0.00 0.00 178.15 176.57 1jfm h HIS 158 N -0.81 -0.45 0.00 1.37 -0.00 -0.69 -1.69 115.15 112.88 1jfm h HIS 158 Ca -0.01 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1jfm h HIS 158 Cb 0.57 0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 1jfm h HIS 158 CO 0.11 -0.30 0.00 -1.91 -0.00 0.00 0.00 177.93 175.83 1jfm n GLU 159 N -5.44 0.00 -0.00 5.26 2.13 -0.36 -3.30 120.64 118.93 1jfm n GLU 159 Ca 0.07 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1jfm n GLU 159 Cb 0.34 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1jfm n GLU 159 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jfm h SER 161 N 0.02 -0.70 -0.24 0.00 0.87 -1.29 -2.07 113.55 110.14 1jfm h SER 161 Ca 0.00 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1jfm h SER 161 Cb 0.41 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1jfm h SER 161 CO 0.00 -0.34 -0.01 1.56 -0.53 0.00 0.00 176.83 177.51 1jfm h GLN 162 N -0.52 0.06 0.00 2.24 4.20 -1.83 -1.29 115.11 117.96 1jfm h GLN 162 Ca -0.03 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1jfm h GLN 162 Cb 0.45 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1jfm h GLN 162 CO -0.02 0.04 -0.06 0.87 -0.67 0.00 0.00 178.83 178.99 1jfm h LYS 163 N 0.06 0.00 0.12 1.46 1.57 -1.86 0.12 116.57 118.05 1jfm h LYS 163 Ca 0.11 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.62 1jfm h LYS 163 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.47 1jfm h LYS 163 CO -0.20 0.06 -1.22 0.52 -0.57 0.00 0.00 179.45 178.04 1jfm h MET 164 N 0.00 0.35 -0.42 3.15 2.86 -0.86 -2.45 114.93 117.56 1jfm h MET 164 Ca -0.00 -0.55 -0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1jfm h MET 164 Cb 0.12 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1jfm h MET 164 CO 0.01 1.24 0.09 -0.44 1.06 0.00 0.00 176.91 178.87 1jfm h ASP 165 N 0.12 0.65 -0.35 1.22 3.32 -0.03 -0.68 116.42 120.68 1jfm h ASP 165 Ca -0.14 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1jfm h ASP 165 Cb 1.93 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.29 1jfm h ASP 165 CO 0.21 0.72 0.17 -0.33 -1.72 0.00 0.00 179.24 178.29 1jfm h GLU 166 N 0.55 0.50 -0.22 3.56 4.39 -0.88 -1.27 114.58 121.21 1jfm h GLU 166 Ca 0.13 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1jfm h GLU 166 Cb 0.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1jfm h GLU 166 CO 0.00 0.45 0.02 0.35 -1.16 0.00 0.00 179.01 178.67 1jfm h PHE 167 N 0.42 0.32 -0.12 4.33 3.57 -1.28 -2.10 116.94 122.08 1jfm h PHE 167 Ca 0.12 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 1jfm h PHE 167 Cb 0.11 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1jfm h PHE 167 CO -0.02 0.32 -0.60 -0.07 -2.23 0.00 0.00 178.31 175.71 1jfm h LEU 168 N 0.32 0.46 0.27 0.59 3.38 -0.57 -0.95 115.31 118.80 1jfm h LEU 168 Ca 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1jfm h LEU 168 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jfm h LEU 168 CO 0.00 0.95 -0.13 0.11 0.09 0.00 0.00 178.44 179.46 1jfm h LYS 169 N 0.30 -0.35 -0.42 1.13 1.57 -0.61 -3.02 116.57 115.17 1jfm h LYS 169 Ca -0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1jfm h LYS 169 Cb 1.13 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1jfm h LYS 169 CO 0.10 -0.06 0.13 -0.56 -0.57 0.00 0.00 179.45 178.49 1jfm h GLN 170 N -0.62 0.61 -7.13 3.15 3.07 -1.45 -3.45 115.11 109.29 1jfm h GLN 170 Ca -0.04 -0.10 -0.55 0.00 0.09 0.00 0.00 58.65 58.06 1jfm h GLN 170 Cb 0.45 -0.11 0.15 0.00 0.08 0.00 0.00 27.48 28.05 1jfm h GLN 170 CO 0.06 0.55 0.47 -1.12 0.09 0.00 0.00 178.83 178.87 1jfm s SER 171 N -6.67 4.53 -1.57 0.06 0.01 -0.36 -3.08 113.70 106.62 1jfm s SER 171 Ca -0.08 2.50 -0.03 0.00 1.31 0.00 0.00 55.95 59.65 1jfm s SER 171 Cb 0.16 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.79 1jfm s SER 171 CO 0.76 -2.04 0.27 0.29 0.41 0.00 0.00 173.24 172.93 1jfm n LYS 172 N -2.15 -3.11 -3.47 12.44 4.76 -1.26 -4.96 118.16 120.40 1jfm n LYS 172 Ca 0.15 0.88 -0.21 0.00 -2.87 0.00 0.00 58.31 56.25 1jfm n LYS 172 Cb 0.49 -5.62 -0.12 0.00 -1.84 0.00 0.00 35.03 27.94 1jfm n LYS 172 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1jfm s GLU 173 N -5.37 0.24 0.00 1.97 2.12 -1.18 -5.19 118.70 111.29 1jfm s GLU 173 Ca 0.15 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1jfm s GLU 173 Cb -0.07 -0.99 0.00 0.00 0.26 0.00 0.00 34.13 33.33 1jfm s GLU 173 CO 0.18 -0.91 0.35 1.63 -0.54 0.00 0.00 175.26 175.97