#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f58 s ILE 2 N 0.00 5.00 -0.20 0.53 1.01 -1.26 -4.98 121.20 121.30 1f58 s ILE 2 Ca 0.00 1.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.65 1f58 s ILE 2 Cb 0.00 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1f58 s ILE 2 CO 0.00 0.05 0.22 -0.69 0.00 0.00 0.00 174.94 174.52 1f58 s VAL 3 N 2.37 5.34 -0.19 2.92 1.01 -1.26 -4.77 120.40 125.83 1f58 s VAL 3 Ca 0.26 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 1f58 s VAL 3 Cb -0.16 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1f58 s VAL 3 CO 0.09 0.38 0.04 -0.76 0.00 0.00 0.00 175.10 174.85 1f58 s LEU 4 N 0.66 3.64 -0.20 3.92 1.43 -1.26 -1.17 118.68 125.70 1f58 s LEU 4 Ca 0.12 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1f58 s LEU 4 Cb -0.13 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1f58 s LEU 4 CO 0.02 0.14 -0.13 -0.89 0.23 0.00 0.00 176.35 175.72 1f58 s THR 5 N 0.59 2.64 0.16 5.49 2.01 0.35 -4.29 115.64 122.58 1f58 s THR 5 Ca 0.02 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1f58 s THR 5 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1f58 s THR 5 CO 0.02 0.48 0.34 -1.10 -0.69 0.00 0.00 174.62 173.67 1f58 s GLN 6 N 1.37 3.51 -0.12 4.92 -0.21 -1.26 -0.69 119.66 127.17 1f58 s GLN 6 Ca 0.05 -0.37 -0.07 0.00 0.02 0.00 0.00 55.36 54.99 1f58 s GLN 6 Cb -0.14 -2.89 0.05 0.00 1.00 0.00 0.00 33.01 31.03 1f58 s GLN 6 CO -0.09 0.46 0.30 0.45 -2.12 0.00 0.00 175.29 174.30 1f58 s SER 7 N -2.98 -0.34 0.77 5.90 0.15 -0.65 -4.55 113.70 112.00 1f58 s SER 7 Ca 0.37 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.62 1f58 s SER 7 Cb -0.11 0.54 0.13 0.00 -1.71 0.00 0.00 66.02 64.87 1f58 s SER 7 CO 0.28 -0.16 0.82 -0.81 1.20 0.00 0.00 173.24 174.57 1f58 n PRO 8 N 4.04 -0.29 0.12 5.44 -0.04 -1.26 -1.15 135.00 141.85 1f58 n PRO 8 Ca -0.23 -1.81 -0.01 0.00 -0.04 0.00 0.00 63.50 61.41 1f58 n PRO 8 Cb 0.54 -0.67 0.01 0.00 -0.04 0.00 0.00 33.50 33.34 1f58 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f58 h ALA 9 N -1.03 0.60 -3.21 0.55 0.00 -1.83 -3.42 119.26 110.92 1f58 h ALA 9 Ca -0.27 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 53.85 1f58 h ALA 9 Cb 0.88 -0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.32 1f58 h ALA 9 CO 0.25 0.84 -0.57 0.45 0.00 0.00 0.00 179.25 180.22 1f58 s SER 10 N -6.57 -0.04 -0.06 0.00 0.15 -1.26 -1.18 113.70 104.74 1f58 s SER 10 Ca 0.02 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 1f58 s SER 10 Cb 0.09 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1f58 s SER 10 CO 0.77 -0.16 0.11 -0.22 1.20 0.00 0.00 173.24 174.94 1f58 s LEU 11 N -0.49 0.24 -0.25 3.45 2.96 -0.05 -4.91 118.68 119.62 1f58 s LEU 11 Ca -0.06 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.97 1f58 s LEU 11 Cb -0.04 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 1f58 s LEU 11 CO 0.00 -0.22 0.13 0.00 -1.32 0.00 0.00 176.35 174.95 1f58 s ALA 12 N 1.96 3.41 0.11 5.97 0.00 -1.26 -0.43 121.76 131.51 1f58 s ALA 12 Ca 0.01 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.98 1f58 s ALA 12 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1f58 s ALA 12 CO -0.05 -0.40 -0.13 0.14 0.00 0.00 0.00 175.76 175.32 1f58 s VAL 13 N 1.46 1.21 0.28 0.00 -7.23 -0.37 -4.74 120.40 111.02 1f58 s VAL 13 Ca 0.06 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1f58 s VAL 13 Cb -0.15 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1f58 s VAL 13 CO 0.07 -0.41 0.51 -0.44 -0.31 0.00 0.00 175.10 174.51 1f58 s SER 14 N -2.31 6.38 0.51 4.85 0.01 -1.26 -0.73 113.70 121.15 1f58 s SER 14 Ca 0.06 0.54 -0.23 0.00 1.31 0.00 0.00 55.95 57.63 1f58 s SER 14 Cb -0.05 -2.07 -0.06 0.00 0.21 0.00 0.00 66.02 64.05 1f58 s SER 14 CO 0.02 -0.19 1.37 -0.76 0.41 0.00 0.00 173.24 174.10 1f58 s LEU 15 N -3.74 3.94 0.00 2.44 1.02 -1.26 -2.30 118.68 118.78 1f58 s LEU 15 Ca 0.41 2.80 0.00 0.00 0.02 0.00 0.00 54.13 57.36 1f58 s LEU 15 Cb -0.10 -4.16 0.00 0.00 0.02 0.00 0.00 46.19 41.95 1f58 s LEU 15 CO 0.32 -1.42 0.00 0.61 0.02 0.00 0.00 176.35 175.88 1f58 n GLY 16 N 0.67 2.58 3.91 -3.19 0.00 0.86 -4.91 105.19 105.11 1f58 n GLY 16 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1f58 n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f58 s GLN 17 N -0.05 2.32 -0.13 1.61 0.74 -0.97 -4.35 119.66 118.81 1f58 s GLN 17 Ca 0.00 0.05 -0.11 0.00 0.05 0.00 0.00 55.36 55.35 1f58 s GLN 17 Cb 0.00 -2.07 -0.05 0.00 1.10 0.00 0.00 33.01 31.99 1f58 s GLN 17 CO 0.00 -1.28 0.22 0.50 -0.55 0.00 0.00 175.29 174.18 1f58 s ARG 18 N -5.37 3.92 -0.06 1.67 3.52 -1.26 -0.51 118.95 120.87 1f58 s ARG 18 Ca 0.60 -0.01 0.05 0.00 -0.13 0.00 0.00 55.73 56.24 1f58 s ARG 18 Cb -0.11 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1f58 s ARG 18 CO 0.48 0.49 -0.23 0.00 -0.81 0.00 0.00 175.30 175.23 1f58 s ALA 19 N -0.27 2.27 -0.09 6.12 0.00 -0.15 -4.99 121.76 124.66 1f58 s ALA 19 Ca 0.15 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1f58 s ALA 19 Cb -0.13 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1f58 s ALA 19 CO 0.04 0.43 -0.12 0.99 0.00 0.00 0.00 175.76 177.10 1f58 s THR 20 N -0.24 1.22 -0.10 0.00 2.01 -1.26 -1.19 115.64 116.08 1f58 s THR 20 Ca -0.01 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1f58 s THR 20 Cb -0.13 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1f58 s THR 20 CO 0.03 0.38 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.51 1f58 s ILE 21 N 0.96 1.83 0.16 1.82 1.01 -0.14 -4.77 121.20 122.07 1f58 s ILE 21 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1f58 s ILE 21 Cb -0.15 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1f58 s ILE 21 CO -0.00 0.51 0.30 -0.44 0.00 0.00 0.00 174.94 175.31 1f58 s SER 22 N 0.55 6.34 -0.09 3.58 0.01 -0.30 -0.30 113.70 123.50 1f58 s SER 22 Ca -0.15 0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.26 1f58 s SER 22 Cb -0.17 -1.92 0.05 0.00 0.21 0.00 0.00 66.02 64.19 1f58 s SER 22 CO 0.05 0.03 0.16 0.00 0.41 0.00 0.00 173.24 173.89 1f58 s LYS 24 N 2.29 3.36 0.07 0.00 2.36 0.13 -1.27 119.74 126.68 1f58 s LYS 24 Ca 0.03 -0.68 -0.08 0.00 -2.55 0.00 0.00 55.97 52.70 1f58 s LYS 24 Cb -0.12 -2.74 -0.05 0.00 -1.05 0.00 0.00 37.83 33.87 1f58 s LYS 24 CO -0.06 0.07 0.36 0.00 1.55 0.00 0.00 175.35 177.28 1f58 s ALA 25 N 0.72 3.77 -0.65 3.13 0.00 0.09 -0.50 121.76 128.32 1f58 s ALA 25 Ca -0.05 -0.46 0.21 0.00 0.00 0.00 0.00 51.96 51.66 1f58 s ALA 25 Cb -0.15 -2.19 0.87 0.00 0.00 0.00 0.00 23.12 21.65 1f58 s ALA 25 CO 0.02 0.61 1.65 -1.13 0.00 0.00 0.00 175.76 176.90 1f58 n SER 26 N 0.82 0.47 -3.50 0.00 3.41 -0.31 -4.77 113.62 109.74 1f58 n SER 26 Ca -0.08 0.61 -0.15 0.00 -0.26 0.00 0.00 58.87 58.99 1f58 n SER 26 Cb 0.52 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 1f58 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f58 s GLN 27 N -3.21 1.06 0.34 4.33 -2.07 -1.26 -4.96 119.66 113.89 1f58 s GLN 27 Ca 0.05 0.05 -0.26 0.00 -1.82 0.00 0.00 55.36 53.38 1f58 s GLN 27 Cb 0.10 0.50 -0.13 0.00 -1.09 0.00 0.00 33.01 32.38 1f58 s GLN 27 CO 0.37 -0.37 0.97 0.41 -1.32 0.00 0.00 175.29 175.35 1f58 n GLY 27 N 0.54 -0.35 0.41 2.60 0.00 -1.26 -4.80 105.19 102.34 1f58 n GLY 27 Ca -0.17 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1f58 n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1f58 n VAL 27 N -0.10 1.82 -3.37 1.61 0.24 -0.55 -5.00 118.33 112.97 1f58 n VAL 27 Ca 0.10 -1.83 -0.34 0.00 -2.04 0.00 0.00 64.34 60.23 1f58 n VAL 27 Cb 0.35 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.60 1f58 n VAL 27 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1f58 s ASP 27 N -2.10 6.76 -0.29 -1.34 1.01 -1.26 -1.10 116.67 118.35 1f58 s ASP 27 Ca 0.30 1.03 -0.16 0.00 0.71 0.00 0.00 52.55 54.44 1f58 s ASP 27 Cb 0.25 -2.27 0.16 0.00 1.01 0.00 0.00 42.92 42.06 1f58 s ASP 27 CO 0.06 0.04 1.01 0.12 0.21 0.00 0.00 175.17 176.61 1f58 s PHE 27 N -1.60 -0.54 -1.57 4.23 5.36 0.26 -4.98 117.98 119.14 1f58 s PHE 27 Ca 0.41 1.03 -0.04 0.00 -0.96 0.00 0.00 56.93 57.38 1f58 s PHE 27 Cb -0.14 0.32 0.04 0.00 -0.34 0.00 0.00 43.02 42.90 1f58 s PHE 27 CO 0.20 -0.27 0.19 -3.47 -1.46 0.00 0.00 175.22 170.41 1f58 n ASP 28 N 3.95 0.19 0.00 6.13 2.03 -1.26 -1.65 116.55 125.94 1f58 n ASP 28 Ca -0.16 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 53.93 1f58 n ASP 28 Cb 0.56 -1.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.06 1f58 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f58 n GLY 29 N -2.23 0.69 3.40 0.27 0.00 -1.26 -5.07 105.19 100.98 1f58 n GLY 29 Ca -0.25 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 1f58 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f58 s ALA 30 N -2.00 -1.31 -0.23 4.61 0.00 -0.66 -5.12 121.76 117.04 1f58 s ALA 30 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1f58 s ALA 30 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1f58 s ALA 30 CO 0.00 -0.31 0.02 -1.12 0.00 0.00 0.00 175.76 174.36 1f58 s SER 31 N -0.99 4.82 -1.37 0.00 0.01 -1.26 -0.58 113.70 114.32 1f58 s SER 31 Ca -0.10 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 56.83 1f58 s SER 31 Cb -0.03 -1.85 0.09 0.00 0.21 0.00 0.00 66.02 64.44 1f58 s SER 31 CO 0.06 -0.02 2.46 0.49 0.41 0.00 0.00 173.24 176.64 1f58 n PHE 32 N 4.82 2.58 -4.30 2.43 3.01 -0.25 -3.50 117.46 122.24 1f58 n PHE 32 Ca -0.17 -2.87 -0.28 0.00 1.01 0.00 0.00 57.45 55.14 1f58 n PHE 32 Cb 0.51 -1.95 -0.17 0.00 -0.01 0.00 0.00 39.48 37.87 1f58 n PHE 32 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 1f58 s MET 33 N -0.57 2.11 0.27 -1.08 1.75 -1.26 -1.64 119.30 118.87 1f58 s MET 33 Ca 0.56 -0.51 0.11 0.00 -1.25 0.00 0.00 55.69 54.60 1f58 s MET 33 Cb 0.18 -1.86 -0.05 0.00 2.84 0.00 0.00 34.83 35.94 1f58 s MET 33 CO -0.09 -0.12 -0.17 -0.80 -0.65 0.00 0.00 175.02 173.19 1f58 s ASN 34 N 1.16 3.32 -0.03 1.11 0.01 0.22 0.25 114.94 120.99 1f58 s ASN 34 Ca -0.03 -1.04 0.05 0.00 -0.71 0.00 0.00 52.86 51.12 1f58 s ASN 34 Cb -0.14 -0.26 -0.01 0.00 0.41 0.00 0.00 41.25 41.25 1f58 s ASN 34 CO -0.04 -0.04 -0.17 0.26 -1.51 0.00 0.00 177.10 175.60 1f58 s TRP 35 N -2.65 1.62 0.13 2.20 0.52 0.27 -0.03 118.94 121.01 1f58 s TRP 35 Ca 0.28 -0.39 0.11 0.00 0.02 0.00 0.00 56.10 56.12 1f58 s TRP 35 Cb -0.03 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 1f58 s TRP 35 CO 0.13 -0.09 -0.25 0.71 0.02 0.00 0.00 176.95 177.46 1f58 s TYR 36 N -0.18 2.21 -0.04 -1.98 2.02 0.93 -0.96 117.35 119.35 1f58 s TYR 36 Ca 0.01 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.40 1f58 s TYR 36 Cb -0.09 -1.18 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1f58 s TYR 36 CO 0.01 0.33 -0.24 -1.14 -1.57 0.00 0.00 175.55 172.95 1f58 s GLN 37 N -2.12 2.30 -0.06 -0.62 0.74 -0.53 -0.75 119.66 118.64 1f58 s GLN 37 Ca 0.13 -0.88 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 1f58 s GLN 37 Cb -0.10 -2.14 0.03 0.00 1.10 0.00 0.00 33.01 31.91 1f58 s GLN 37 CO 0.06 0.52 0.03 -1.14 -0.55 0.00 0.00 175.29 174.21 1f58 s GLN 38 N -0.51 0.28 0.14 1.67 0.74 0.12 -0.50 119.66 121.61 1f58 s GLN 38 Ca 0.07 0.23 -0.05 0.00 0.05 0.00 0.00 55.36 55.65 1f58 s GLN 38 Cb -0.11 -0.74 -0.06 0.00 1.10 0.00 0.00 33.01 33.20 1f58 s GLN 38 CO 0.00 -0.31 0.38 0.15 -0.55 0.00 0.00 175.29 174.97 1f58 s LYS 39 N 2.02 3.63 0.25 1.67 1.02 -1.26 -1.06 119.74 126.01 1f58 s LYS 39 Ca 0.04 -0.06 -0.31 0.00 0.02 0.00 0.00 55.97 55.67 1f58 s LYS 39 Cb -0.12 -2.86 -0.13 0.00 -0.52 0.00 0.00 37.83 34.20 1f58 s LYS 39 CO -0.04 0.47 1.38 -0.35 -0.92 0.00 0.00 175.35 175.89 1f58 n PRO 40 N 0.16 2.02 -1.06 -1.68 -0.04 -1.26 -1.46 135.00 131.68 1f58 n PRO 40 Ca -0.03 0.72 -0.02 0.00 -0.04 0.00 0.00 63.50 64.13 1f58 n PRO 40 Cb 0.52 -2.36 -0.01 0.00 -0.04 0.00 0.00 33.50 31.61 1f58 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f58 n GLY 41 N 1.95 0.55 3.16 0.55 0.00 -1.26 -5.02 105.19 105.12 1f58 n GLY 41 Ca 0.11 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1f58 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f58 s GLN 42 N -1.42 0.80 0.65 1.61 -1.52 -0.54 -5.15 119.66 114.09 1f58 s GLN 42 Ca 0.00 -1.12 -0.11 0.00 -1.95 0.00 0.00 55.36 52.19 1f58 s GLN 42 Cb 0.00 -0.48 -0.01 0.00 -0.22 0.00 0.00 33.01 32.30 1f58 s GLN 42 CO 0.00 0.07 1.04 -1.25 -0.25 0.00 0.00 175.29 174.90 1f58 s PRO 43 N -2.71 3.19 0.51 2.91 0.04 -1.26 -4.56 135.00 133.12 1f58 s PRO 43 Ca 0.04 0.53 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 1f58 s PRO 43 Cb -0.03 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1f58 s PRO 43 CO -0.00 -0.79 1.39 -2.30 0.04 0.00 0.00 177.00 175.34 1f58 n PRO 44 N -2.84 1.92 -5.15 0.56 -0.02 -1.26 -4.62 135.00 123.59 1f58 n PRO 44 Ca 0.06 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 1f58 n PRO 44 Cb 0.56 -2.60 -0.17 0.00 -0.02 0.00 0.00 33.50 31.27 1f58 n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1f58 s LYS 45 N -2.71 3.07 0.11 -0.52 -0.14 0.35 -4.93 119.74 114.98 1f58 s LYS 45 Ca 0.67 -0.86 -0.31 0.00 -1.36 0.00 0.00 55.97 54.11 1f58 s LYS 45 Cb -0.43 -2.33 -0.09 0.00 -1.68 0.00 0.00 37.83 33.30 1f58 s LYS 45 CO 0.52 0.17 1.53 -1.17 -0.76 0.00 0.00 175.35 175.65 1f58 s LEU 46 N 0.37 4.36 -0.16 3.17 2.96 -1.26 -1.45 118.68 126.68 1f58 s LEU 46 Ca -0.18 2.47 -0.12 0.00 -0.22 0.00 0.00 54.13 56.08 1f58 s LEU 46 Cb -0.18 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.86 1f58 s LEU 46 CO 0.08 -0.79 -0.26 0.18 -1.32 0.00 0.00 176.35 174.24 1f58 n LEU 47 N 4.50 1.60 -4.01 -0.68 4.77 -0.14 -4.76 117.00 118.28 1f58 n LEU 47 Ca 0.14 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 1f58 n LEU 47 Cb 0.40 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 1f58 n LEU 47 CO 0.61 0.02 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.64 1f58 s ILE 48 N -2.53 0.58 0.14 -0.08 1.01 -1.16 -1.35 121.20 117.82 1f58 s ILE 48 Ca -0.25 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1f58 s ILE 48 Cb 0.07 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1f58 s ILE 48 CO 0.34 0.08 -0.12 0.72 0.00 0.00 0.00 174.94 175.96 1f58 s PHE 49 N -0.36 1.36 -1.40 3.97 -0.12 -0.16 -0.57 117.98 120.70 1f58 s PHE 49 Ca 0.01 -0.64 -0.08 0.00 -0.05 0.00 0.00 56.93 56.18 1f58 s PHE 49 Cb -0.04 -0.69 0.04 0.00 -0.63 0.00 0.00 43.02 41.69 1f58 s PHE 49 CO -0.00 0.14 0.97 0.00 -0.05 0.00 0.00 175.22 176.28 1f58 n ALA 50 N 0.16 -1.56 0.00 1.99 0.00 -1.12 -1.63 120.51 118.35 1f58 n ALA 50 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f58 n ALA 50 Cb 0.59 -3.89 0.00 0.00 0.00 0.00 0.00 19.45 16.15 1f58 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f58 n ALA 51 N -4.60 0.00 -0.39 0.00 0.00 0.14 -4.19 120.51 111.46 1f58 n ALA 51 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1f58 n ALA 51 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1f58 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1f58 n SER 52 N 1.77 0.97 -4.66 0.00 7.64 -1.22 -3.69 113.62 114.43 1f58 n SER 52 Ca 0.00 -1.36 -0.38 0.00 1.01 0.00 0.00 58.87 58.14 1f58 n SER 52 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1f58 n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f58 s THR 53 N -0.36 5.23 0.22 0.44 2.01 -0.65 -4.59 115.64 117.95 1f58 s THR 53 Ca 0.00 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1f58 s THR 53 Cb 0.00 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1f58 s THR 53 CO 0.00 0.26 1.03 -0.76 -0.69 0.00 0.00 174.62 174.46 1f58 s LEU 54 N 1.34 4.56 0.72 4.42 1.43 -1.26 -0.99 118.68 128.90 1f58 s LEU 54 Ca 0.16 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 1f58 s LEU 54 Cb -0.15 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1f58 s LEU 54 CO 0.07 -0.05 1.08 -0.70 0.23 0.00 0.00 176.35 176.98 1f58 s GLU 55 N -0.90 2.65 0.28 1.70 2.56 -0.46 -4.93 118.70 119.60 1f58 s GLU 55 Ca 0.45 1.11 -0.30 0.00 0.00 0.00 0.00 54.97 56.22 1f58 s GLU 55 Cb -0.28 -1.95 -0.11 0.00 2.00 0.00 0.00 34.13 33.79 1f58 s GLU 55 CO 0.35 -1.33 1.58 -1.12 -0.56 0.00 0.00 175.26 174.18 1f58 s SER 56 N -3.43 6.41 0.00 -1.70 0.01 -1.26 -2.59 113.70 111.14 1f58 s SER 56 Ca 0.61 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.77 1f58 s SER 56 Cb -0.16 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1f58 s SER 56 CO 0.53 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1f58 n GLY 57 N 2.26 2.34 3.72 3.44 0.00 -1.26 -5.03 105.19 110.67 1f58 n GLY 57 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1f58 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f58 s ILE 58 N -2.28 4.73 0.55 -0.61 -1.09 -1.07 -5.02 121.20 116.42 1f58 s ILE 58 Ca 0.00 1.96 -0.18 0.00 -2.23 0.00 0.00 60.65 60.20 1f58 s ILE 58 Cb 0.00 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1f58 s ILE 58 CO 0.00 0.25 1.09 -2.16 -1.23 0.00 0.00 174.94 172.89 1f58 s PRO 59 N 0.49 3.38 0.00 2.79 0.04 -1.26 -4.91 135.00 135.54 1f58 s PRO 59 Ca 0.47 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1f58 s PRO 59 Cb -0.22 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1f58 s PRO 59 CO 0.27 -0.79 0.74 0.00 0.04 0.00 0.00 177.00 177.26 1f58 n ALA 60 N -1.50 1.14 0.28 8.56 0.00 -1.26 -1.94 120.51 125.79 1f58 n ALA 60 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.71 1f58 n ALA 60 Cb 0.52 -0.93 0.79 0.00 0.00 0.00 0.00 19.45 19.83 1f58 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f58 h ARG 61 N 0.00 0.00 -5.66 0.00 3.08 -1.91 -3.41 114.38 106.48 1f58 h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1f58 h ARG 61 Cb 0.04 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 1f58 h ARG 61 CO 0.00 0.05 -0.26 -0.06 -1.07 0.00 0.00 179.97 178.63 1f58 s PHE 62 N -3.88 3.53 -0.02 3.04 0.08 -0.82 -1.64 117.98 118.27 1f58 s PHE 62 Ca -0.01 0.75 -0.02 0.00 0.12 0.00 0.00 56.93 57.77 1f58 s PHE 62 Cb 0.11 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 1f58 s PHE 62 CO 0.53 0.31 0.04 -1.54 -0.10 0.00 0.00 175.22 174.47 1f58 s SER 63 N 0.17 -0.04 0.05 1.36 1.04 -0.39 -4.98 113.70 110.91 1f58 s SER 63 Ca 0.20 0.09 0.09 0.00 0.48 0.00 0.00 55.95 56.81 1f58 s SER 63 Cb -0.14 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 1f58 s SER 63 CO 0.07 -0.02 -0.26 -0.83 0.98 0.00 0.00 173.24 173.19 1f58 s GLY 64 N 0.04 1.38 0.13 7.32 0.00 -1.26 -0.61 107.32 114.32 1f58 s GLY 64 Ca -0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 44.72 43.32 1f58 s GLY 64 CO -0.00 -1.16 0.36 1.09 0.00 0.00 0.00 173.10 173.39 1f58 s ARG 65 N -1.29 1.07 0.00 2.90 1.70 -0.91 -4.23 118.95 118.19 1f58 s ARG 65 Ca 0.11 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 1f58 s ARG 65 Cb -0.10 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1f58 s ARG 65 CO 0.02 -0.41 0.00 0.41 -1.08 0.00 0.00 175.30 174.24 1f58 n GLY 66 N -0.20 2.20 3.61 3.88 0.00 -1.26 -1.42 105.19 112.00 1f58 n GLY 66 Ca -0.14 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 43.86 1f58 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f58 s SER 67 N 0.00 -0.25 0.61 1.61 1.04 -0.80 -4.96 113.70 110.96 1f58 s SER 67 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1f58 s SER 67 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1f58 s SER 67 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1f58 n GLY 68 N -0.34 1.51 0.00 7.32 0.00 -1.26 -2.55 105.19 109.87 1f58 n GLY 68 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1f58 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1f58 n THR 69 N 0.00 0.00 -3.88 2.61 -2.24 -1.26 -1.49 114.28 108.02 1f58 n THR 69 Ca 0.00 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 1f58 n THR 69 Cb 0.00 0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 68.84 1f58 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f58 s ASP 70 N -1.57 4.58 0.08 3.42 1.01 -1.06 -0.73 116.67 122.39 1f58 s ASP 70 Ca -0.00 -0.32 0.04 0.00 0.71 0.00 0.00 52.55 52.98 1f58 s ASP 70 Cb 0.00 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.11 1f58 s ASP 70 CO 0.03 -0.02 -0.11 -0.36 0.21 0.00 0.00 175.17 174.92 1f58 s PHE 71 N 1.47 1.06 0.02 4.23 0.40 -0.40 -1.91 117.98 122.85 1f58 s PHE 71 Ca 0.05 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1f58 s PHE 71 Cb -0.15 -0.59 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 1f58 s PHE 71 CO -0.01 0.01 -0.03 0.95 0.70 0.00 0.00 175.22 176.84 1f58 s THR 72 N -1.84 0.14 -0.09 0.64 -4.23 -0.51 -0.60 115.64 109.15 1f58 s THR 72 Ca 0.00 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 1f58 s THR 72 Cb -0.07 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 1f58 s THR 72 CO 0.01 -0.38 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.31 1f58 s LEU 73 N -1.16 2.46 0.01 4.79 2.96 0.59 -2.14 118.68 126.19 1f58 s LEU 73 Ca -0.12 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1f58 s LEU 73 Cb -0.08 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1f58 s LEU 73 CO -0.01 0.22 -0.19 0.20 -1.32 0.00 0.00 176.35 175.25 1f58 s ASN 74 N 0.03 2.27 -0.11 3.68 0.01 0.22 -0.97 114.94 120.08 1f58 s ASN 74 Ca -0.07 -0.41 -0.01 0.00 -0.71 0.00 0.00 52.86 51.66 1f58 s ASN 74 Cb -0.15 -0.22 0.03 0.00 0.41 0.00 0.00 41.25 41.31 1f58 s ASN 74 CO 0.05 0.19 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.14 1f58 s ILE 75 N -0.60 0.89 -0.29 0.60 1.01 -0.33 -1.27 121.20 121.22 1f58 s ILE 75 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 1f58 s ILE 75 Cb -0.08 -0.94 0.14 0.00 0.01 0.00 0.00 42.46 41.59 1f58 s ILE 75 CO 0.00 0.34 0.60 -2.28 0.00 0.00 0.00 174.94 173.61 1f58 s HIS 76 N 1.76 -1.31 0.34 3.97 2.46 -0.65 -0.98 115.29 120.88 1f58 s HIS 76 Ca 0.05 2.09 -0.09 0.00 0.47 0.00 0.00 55.06 57.58 1f58 s HIS 76 Cb -0.13 0.68 -0.06 0.00 -0.13 0.00 0.00 32.58 32.94 1f58 s HIS 76 CO -0.08 -0.68 0.67 -1.25 -2.47 0.00 0.00 174.74 170.93 1f58 s PRO 77 N 2.85 3.77 0.24 2.88 0.04 -1.26 -4.61 135.00 138.90 1f58 s PRO 77 Ca -0.00 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 1f58 s PRO 77 Cb -0.13 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 1f58 s PRO 77 CO -0.18 0.11 1.25 0.08 0.04 0.00 0.00 177.00 178.30 1f58 s VAL 78 N -2.16 3.21 0.31 -0.36 1.01 0.33 -4.79 120.40 117.96 1f58 s VAL 78 Ca 0.49 1.09 0.10 0.00 0.00 0.00 0.00 61.98 63.66 1f58 s VAL 78 Cb -0.11 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1f58 s VAL 78 CO 0.28 0.21 -0.14 -1.61 0.00 0.00 0.00 175.10 173.83 1f58 s GLU 79 N -0.78 1.75 0.23 2.72 0.41 -1.26 -0.10 118.70 121.67 1f58 s GLU 79 Ca 0.52 -1.86 -0.07 0.00 -0.41 0.00 0.00 54.97 53.15 1f58 s GLU 79 Cb -0.36 -1.71 0.39 0.00 -1.78 0.00 0.00 34.13 30.67 1f58 s GLU 79 CO 0.42 0.22 1.72 1.49 -0.49 0.00 0.00 175.26 178.62 1f58 h GLU 80 N 2.14 0.35 0.00 1.61 4.81 -1.99 -0.02 114.58 121.49 1f58 h GLU 80 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1f58 h GLU 80 Cb 1.25 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1f58 h GLU 80 CO 0.66 0.23 0.00 -0.85 -0.73 0.00 0.00 179.01 178.32 1f58 n GLU 81 N -5.06 0.17 0.01 1.92 0.28 -1.26 -2.86 120.64 113.84 1f58 n GLU 81 Ca 0.12 0.17 0.13 0.00 -0.16 0.00 0.00 57.16 57.41 1f58 n GLU 81 Cb 0.37 -1.50 0.38 0.00 1.43 0.00 0.00 31.44 32.12 1f58 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1f58 n ASP 82 N -1.26 0.35 -4.66 -1.84 8.00 -0.02 -4.82 116.55 112.30 1f58 n ASP 82 Ca 0.05 0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 1f58 n ASP 82 Cb 0.08 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1f58 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f58 s ALA 83 N -3.02 3.53 -0.09 2.24 0.00 -1.14 -4.83 121.76 118.46 1f58 s ALA 83 Ca 0.12 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 53.06 1f58 s ALA 83 Cb 0.18 -3.86 0.11 0.00 0.00 0.00 0.00 23.12 19.55 1f58 s ALA 83 CO 0.64 -1.65 1.38 0.00 0.00 0.00 0.00 175.76 176.14 1f58 s ALA 84 N 4.69 -2.72 -0.14 0.00 0.00 -1.08 -4.88 121.76 117.63 1f58 s ALA 84 Ca 0.89 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.13 1f58 s ALA 84 Cb -0.42 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1f58 s ALA 84 CO 0.41 -1.15 0.08 0.99 0.00 0.00 0.00 175.76 176.09 1f58 s THR 85 N -2.01 4.97 -0.06 0.00 2.01 -0.22 -0.51 115.64 119.82 1f58 s THR 85 Ca 0.28 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1f58 s THR 85 Cb 0.02 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1f58 s THR 85 CO -0.04 0.55 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.93 1f58 s TYR 86 N -0.41 2.56 -0.01 4.92 1.51 0.04 0.14 117.35 126.11 1f58 s TYR 86 Ca 0.10 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 1f58 s TYR 86 Cb -0.12 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1f58 s TYR 86 CO 0.02 -0.05 -0.15 0.71 -1.11 0.00 0.00 175.55 174.98 1f58 s TYR 87 N -0.37 1.31 0.15 2.71 2.02 0.07 -1.04 117.35 122.21 1f58 s TYR 87 Ca 0.03 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1f58 s TYR 87 Cb -0.12 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1f58 s TYR 87 CO 0.02 -0.02 0.32 0.00 -1.57 0.00 0.00 175.55 174.30 1f58 s GLN 89 N -3.12 0.27 -0.13 0.00 -0.44 0.96 -1.22 119.66 115.98 1f58 s GLN 89 Ca 0.36 0.62 -0.08 0.00 -2.50 0.00 0.00 55.36 53.77 1f58 s GLN 89 Cb -0.11 -0.09 -0.04 0.00 -1.64 0.00 0.00 33.01 31.13 1f58 s GLN 89 CO 0.28 -0.16 0.15 1.14 0.50 0.00 0.00 175.29 177.20 1f58 s GLN 90 N 1.31 3.61 -0.15 1.67 1.03 -0.68 -0.61 119.66 125.85 1f58 s GLN 90 Ca -0.09 -0.13 0.18 0.00 0.04 0.00 0.00 55.36 55.35 1f58 s GLN 90 Cb -0.10 -3.24 0.33 0.00 0.03 0.00 0.00 33.01 30.04 1f58 s GLN 90 CO -0.10 0.68 1.19 0.43 -2.54 0.00 0.00 175.29 174.95 1f58 n SER 91 N 2.29 2.39 0.09 12.60 7.64 -0.65 -3.54 113.62 134.43 1f58 n SER 91 Ca -0.19 -3.20 -0.03 0.00 1.01 0.00 0.00 58.87 56.46 1f58 n SER 91 Cb 0.54 -0.46 0.18 0.00 -1.01 0.00 0.00 64.21 63.46 1f58 n SER 91 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1f58 h HIS 92 N 0.29 0.28 -3.16 1.43 -0.00 -1.88 -3.47 115.15 108.65 1f58 h HIS 92 Ca 0.00 -0.09 0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1f58 h HIS 92 Cb 1.05 -0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 28.32 1f58 h HIS 92 CO 0.16 0.69 0.13 -1.83 -0.00 0.00 0.00 177.93 177.08 1f58 s GLU 93 N -3.96 1.57 -0.09 5.26 -1.05 -1.26 -5.12 118.70 114.05 1f58 s GLU 93 Ca -0.04 -0.90 -0.09 0.00 -0.15 0.00 0.00 54.97 53.79 1f58 s GLU 93 Cb 0.13 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.34 1f58 s GLU 93 CO 0.78 -0.69 0.21 -0.51 0.95 0.00 0.00 175.26 175.99 1f58 s ASP 94 N -2.89 6.49 0.35 0.83 1.01 -1.26 -3.41 116.67 117.79 1f58 s ASP 94 Ca 0.10 0.59 -0.26 0.00 0.71 0.00 0.00 52.55 53.69 1f58 s ASP 94 Cb -0.03 -2.11 -0.09 0.00 1.01 0.00 0.00 42.92 41.69 1f58 s ASP 94 CO 0.01 0.39 1.08 -2.16 0.21 0.00 0.00 175.17 174.70 1f58 s PRO 95 N -1.04 4.35 0.27 8.23 0.04 -1.26 -5.06 135.00 140.53 1f58 s PRO 95 Ca 0.17 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1f58 s PRO 95 Cb -0.13 -2.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 1f58 s PRO 95 CO 0.06 -0.01 1.24 -0.51 0.04 0.00 0.00 177.00 177.83 1f58 s LEU 96 N -2.12 4.46 0.11 -3.56 1.43 -1.22 -4.75 118.68 113.02 1f58 s LEU 96 Ca 0.52 2.46 0.04 0.00 -1.03 0.00 0.00 54.13 56.13 1f58 s LEU 96 Cb -0.27 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1f58 s LEU 96 CO 0.34 -0.41 -0.11 0.42 0.23 0.00 0.00 176.35 176.82 1f58 s THR 97 N -0.71 1.06 0.27 5.49 -4.23 -1.23 -5.02 115.64 111.27 1f58 s THR 97 Ca 0.50 -1.67 0.12 0.00 -1.18 0.00 0.00 61.69 59.46 1f58 s THR 97 Cb -0.36 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1f58 s THR 97 CO 0.44 -0.52 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.46 1f58 s PHE 98 N -2.37 2.32 0.74 3.99 0.40 -1.26 -1.68 117.98 120.12 1f58 s PHE 98 Ca 0.07 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 1f58 s PHE 98 Cb -0.03 -1.02 0.06 0.00 0.51 0.00 0.00 43.02 42.54 1f58 s PHE 98 CO 0.01 0.69 1.07 0.20 0.70 0.00 0.00 175.22 177.89 1f58 s GLY 99 N -3.44 1.65 0.53 4.36 0.00 -0.36 -4.55 107.32 105.50 1f58 s GLY 99 Ca 0.29 -0.81 0.31 0.00 0.00 0.00 0.00 44.72 44.52 1f58 s GLY 99 CO 0.15 -0.38 1.95 0.00 0.00 0.00 0.00 173.10 174.82 1f58 h ALA 100 N -0.75 1.01 0.00 3.20 0.00 -1.91 -3.44 119.26 117.37 1f58 h ALA 100 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1f58 h ALA 100 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1f58 h ALA 100 CO 0.62 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1f58 n GLY 101 N 0.04 2.61 3.13 0.00 0.00 -1.26 -5.04 105.19 104.67 1f58 n GLY 101 Ca 0.00 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1f58 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f58 s THR 102 N -1.51 2.03 -0.22 2.61 2.01 -0.21 -4.68 115.64 115.68 1f58 s THR 102 Ca 0.00 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.86 1f58 s THR 102 Cb 0.00 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1f58 s THR 102 CO 0.00 0.54 0.63 -0.75 -0.69 0.00 0.00 174.62 174.35 1f58 s LYS 103 N 1.12 4.17 -0.36 4.92 2.36 -0.33 -0.78 119.74 130.84 1f58 s LYS 103 Ca 0.00 0.59 -0.17 0.00 -2.55 0.00 0.00 55.97 53.84 1f58 s LYS 103 Cb -0.14 -3.60 -0.00 0.00 -1.05 0.00 0.00 37.83 33.03 1f58 s LYS 103 CO -0.09 -0.30 0.44 -1.17 1.55 0.00 0.00 175.35 175.78 1f58 s LEU 104 N 2.12 4.47 0.24 5.43 2.96 0.33 -0.87 118.68 133.37 1f58 s LEU 104 Ca 0.28 -0.23 0.11 0.00 -0.22 0.00 0.00 54.13 54.07 1f58 s LEU 104 Cb -0.16 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1f58 s LEU 104 CO 0.10 -0.45 -0.16 -1.83 -1.32 0.00 0.00 176.35 172.69 1f58 s GLU 105 N 2.21 1.81 0.01 1.98 -1.05 0.43 -2.63 118.70 121.45 1f58 s GLU 105 Ca 0.15 -1.56 -0.20 0.00 -0.15 0.00 0.00 54.97 53.21 1f58 s GLU 105 Cb -0.16 -1.93 -0.06 0.00 -0.44 0.00 0.00 34.13 31.55 1f58 s GLU 105 CO 0.13 0.37 0.59 -0.51 0.95 0.00 0.00 175.26 176.79 1f58 s LEU 106 N -3.21 4.43 0.17 1.83 1.43 -1.26 -1.23 118.68 120.85 1f58 s LEU 106 Ca 0.27 1.17 -0.28 0.00 -1.03 0.00 0.00 54.13 54.26 1f58 s LEU 106 Cb -0.07 -2.91 -0.08 0.00 0.03 0.00 0.00 46.19 43.16 1f58 s LEU 106 CO 0.15 0.13 0.88 -0.75 0.23 0.00 0.00 176.35 176.99 1f58 s LYS 107 N -0.34 4.71 0.31 1.70 2.20 0.10 -4.77 119.74 123.64 1f58 s LYS 107 Ca 0.31 1.35 -0.01 0.00 -0.36 0.00 0.00 55.97 57.25 1f58 s LYS 107 Cb -0.18 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1f58 s LYS 107 CO 0.17 0.44 0.37 -0.98 -0.36 0.00 0.00 175.35 174.99 1f58 s ARG 108 N -0.80 1.71 0.44 4.03 1.70 -1.26 -4.78 118.95 120.00 1f58 s ARG 108 Ca 0.41 -1.74 -0.24 0.00 -0.47 0.00 0.00 55.73 53.68 1f58 s ARG 108 Cb -0.24 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.45 1f58 s ARG 108 CO 0.29 -0.67 1.24 0.00 -1.08 0.00 0.00 175.30 175.08 1f58 s ALA 109 N -3.44 3.08 0.42 7.88 0.00 -1.26 -4.96 121.76 123.48 1f58 s ALA 109 Ca 0.34 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 1f58 s ALA 109 Cb 0.01 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1f58 s ALA 109 CO 0.19 -0.81 1.33 -0.25 0.00 0.00 0.00 175.76 176.23 1f58 n ASP 110 N -0.26 2.86 -3.79 0.00 8.00 -1.26 -4.79 116.55 117.31 1f58 n ASP 110 Ca 0.06 1.12 -0.15 0.00 0.71 0.00 0.00 54.79 56.53 1f58 n ASP 110 Cb 0.46 -1.54 -0.16 0.00 -0.02 0.00 0.00 41.12 39.86 1f58 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f58 s ALA 111 N -1.19 0.13 0.38 2.24 0.00 -0.36 -4.92 121.76 118.04 1f58 s ALA 111 Ca 0.60 0.26 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 1f58 s ALA 111 Cb -0.49 -0.25 -0.10 0.00 0.00 0.00 0.00 23.12 22.28 1f58 s ALA 111 CO 0.58 -0.09 0.98 0.00 0.00 0.00 0.00 175.76 177.23 1f58 s ALA 112 N 1.00 3.12 0.43 0.00 0.00 -1.26 -1.61 121.76 123.43 1f58 s ALA 112 Ca -0.09 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.19 1f58 s ALA 112 Cb -0.12 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1f58 s ALA 112 CO -0.03 0.03 1.08 -1.25 0.00 0.00 0.00 175.76 175.60 1f58 s PRO 113 N -2.51 4.00 -0.50 0.00 0.04 -1.26 -4.54 135.00 130.23 1f58 s PRO 113 Ca 0.56 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.99 1f58 s PRO 113 Cb -0.17 -2.46 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1f58 s PRO 113 CO 0.22 -0.30 0.62 0.99 0.04 0.00 0.00 177.00 178.57 1f58 s THR 114 N -1.65 4.89 -0.09 1.26 2.01 -0.37 -4.86 115.64 116.83 1f58 s THR 114 Ca 0.60 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1f58 s THR 114 Cb -0.24 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 1f58 s THR 114 CO 0.29 -0.78 0.39 -0.69 -0.69 0.00 0.00 174.62 173.14 1f58 s VAL 115 N 2.60 5.17 -0.03 3.82 1.01 -1.26 -1.85 120.40 129.87 1f58 s VAL 115 Ca 0.15 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1f58 s VAL 115 Cb -0.19 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1f58 s VAL 115 CO 0.12 0.44 -0.04 -0.44 0.00 0.00 0.00 175.10 175.18 1f58 s SER 116 N -0.06 0.68 0.03 3.32 0.01 -0.41 -4.98 113.70 112.29 1f58 s SER 116 Ca 0.22 -0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1f58 s SER 116 Cb -0.15 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1f58 s SER 116 CO 0.09 -0.02 -0.15 -0.51 0.41 0.00 0.00 173.24 173.06 1f58 s ILE 117 N 0.56 3.04 -0.07 1.44 2.07 -1.26 -0.78 121.20 126.20 1f58 s ILE 117 Ca -0.07 -1.09 0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1f58 s ILE 117 Cb -0.10 -2.30 0.02 0.00 0.13 0.00 0.00 42.46 40.21 1f58 s ILE 117 CO -0.00 0.34 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.93 1f58 s PHE 118 N -0.96 1.14 0.79 3.50 0.40 0.10 -4.99 117.98 117.96 1f58 s PHE 118 Ca 0.16 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 1f58 s PHE 118 Cb -0.11 -0.93 0.07 0.00 0.51 0.00 0.00 43.02 42.56 1f58 s PHE 118 CO 0.06 -0.29 1.09 -2.14 0.70 0.00 0.00 175.22 174.64 1f58 s PRO 119 N 1.03 2.11 0.47 0.24 0.02 -1.26 -2.22 135.00 135.39 1f58 s PRO 119 Ca -0.09 0.86 -0.24 0.00 0.02 0.00 0.00 61.00 61.56 1f58 s PRO 119 Cb -0.14 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 1f58 s PRO 119 CO -0.00 -1.66 1.30 -2.14 -0.33 0.00 0.00 177.00 174.17 1f58 s PRO 120 N -5.03 3.59 0.65 5.54 0.02 -1.24 -4.82 135.00 133.72 1f58 s PRO 120 Ca 0.61 2.12 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 1f58 s PRO 120 Cb -0.16 -2.48 -0.01 0.00 0.02 0.00 0.00 34.50 31.87 1f58 s PRO 120 CO 0.55 -0.79 1.05 -1.54 -0.33 0.00 0.00 177.00 175.95 1f58 s SER 121 N -0.95 5.63 0.40 2.53 1.04 -1.26 -4.90 113.70 116.19 1f58 s SER 121 Ca 0.64 1.64 0.13 0.00 0.48 0.00 0.00 55.95 58.84 1f58 s SER 121 Cb -0.37 -2.50 0.81 0.00 0.10 0.00 0.00 66.02 64.06 1f58 s SER 121 CO 0.46 -1.27 1.89 0.77 0.98 0.00 0.00 173.24 176.06 1f58 h SER 122 N -0.31 0.04 0.03 7.02 4.64 -1.99 -2.16 113.55 120.82 1f58 h SER 122 Ca -0.45 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1f58 h SER 122 Cb 1.21 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1f58 h SER 122 CO 0.58 0.32 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.46 1f58 h GLU 123 N 0.03 0.10 0.12 4.77 5.08 -1.99 -0.36 114.58 122.34 1f58 h GLU 123 Ca 0.00 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 1f58 h GLU 123 Cb 0.52 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1f58 h GLU 123 CO 0.04 0.18 -1.20 0.37 -1.00 0.00 0.00 179.01 177.40 1f58 h GLN 124 N 0.10 0.26 -0.88 2.33 4.15 -1.72 -3.33 115.11 116.03 1f58 h GLN 124 Ca 0.02 -0.45 0.05 0.00 0.77 0.00 0.00 58.65 59.04 1f58 h GLN 124 Cb 0.19 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1f58 h GLN 124 CO 0.01 1.22 0.56 -0.07 -1.93 0.00 0.00 178.83 178.62 1f58 h LEU 125 N -0.33 0.90 -0.49 -2.39 3.38 -1.15 -0.11 115.31 115.12 1f58 h LEU 125 Ca -0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1f58 h LEU 125 Cb 1.72 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1f58 h LEU 125 CO 0.09 0.59 0.00 0.35 0.09 0.00 0.00 178.44 179.56 1f58 n THR 126 N -4.57 1.16 1.03 0.22 -2.24 -0.17 -0.93 114.28 108.78 1f58 n THR 126 Ca 0.12 0.39 0.12 0.00 -2.27 0.00 0.00 64.05 62.41 1f58 n THR 126 Cb 0.14 -1.29 0.12 0.00 -2.10 0.00 0.00 70.33 67.20 1f58 n THR 126 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1f58 n SER 127 N -1.87 2.87 0.00 3.42 7.64 -0.08 -4.98 113.62 120.63 1f58 n SER 127 Ca 0.01 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1f58 n SER 127 Cb 0.13 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1f58 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f58 n GLY 128 N 1.34 0.66 3.68 0.23 0.00 -0.10 -5.06 105.19 105.94 1f58 n GLY 128 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1f58 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f58 s GLY 129 N -1.36 1.81 -0.27 -0.02 0.00 -1.07 -1.39 107.32 105.01 1f58 s GLY 129 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.97 1f58 s GLY 129 CO 0.00 -1.75 0.36 0.00 0.00 0.00 0.00 173.10 171.71 1f58 s ALA 130 N -2.38 -0.90 -0.17 3.20 0.00 -0.21 -2.97 121.76 118.33 1f58 s ALA 130 Ca 0.34 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 1f58 s ALA 130 Cb -0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1f58 s ALA 130 CO 0.21 -1.59 -0.03 -1.12 0.00 0.00 0.00 175.76 173.23 1f58 s SER 131 N 2.48 4.79 -0.19 0.00 0.01 -1.26 -0.57 113.70 118.95 1f58 s SER 131 Ca 0.10 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.15 1f58 s SER 131 Cb -0.14 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1f58 s SER 131 CO -0.26 0.13 0.01 0.68 0.41 0.00 0.00 173.24 174.21 1f58 s VAL 132 N 0.57 4.12 -0.03 3.43 -7.23 0.38 -3.59 120.40 118.04 1f58 s VAL 132 Ca -0.02 -0.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1f58 s VAL 132 Cb -0.14 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 1f58 s VAL 132 CO 0.02 0.44 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.50 1f58 s VAL 133 N 0.83 3.77 -0.07 1.32 1.01 -0.94 -1.03 120.40 125.29 1f58 s VAL 133 Ca 0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1f58 s VAL 133 Cb -0.14 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1f58 s VAL 133 CO 0.02 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.58 1f58 s PHE 135 N 1.49 3.28 -0.38 0.00 0.08 0.04 -0.79 117.98 121.69 1f58 s PHE 135 Ca -0.02 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.24 1f58 s PHE 135 Cb -0.13 -1.94 0.11 0.00 -0.57 0.00 0.00 43.02 40.49 1f58 s PHE 135 CO -0.03 0.38 0.14 -0.51 -0.10 0.00 0.00 175.22 175.09 1f58 s LEU 136 N -0.37 3.37 0.10 -0.37 2.01 -0.11 -1.29 118.68 122.02 1f58 s LEU 136 Ca 0.09 -2.21 0.03 0.00 0.01 0.00 0.00 54.13 52.05 1f58 s LEU 136 Cb -0.12 -1.23 -0.04 0.00 0.01 0.00 0.00 46.19 44.81 1f58 s LEU 136 CO 0.02 -0.35 0.10 0.20 1.01 0.00 0.00 176.35 177.33 1f58 s ASN 137 N 0.85 5.59 -1.16 2.29 0.01 -0.77 -0.31 114.94 121.44 1f58 s ASN 137 Ca 0.13 -0.01 -0.21 0.00 -0.71 0.00 0.00 52.86 52.06 1f58 s ASN 137 Cb -0.21 -1.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.94 1f58 s ASN 137 CO -0.11 0.15 0.76 0.59 -1.51 0.00 0.00 177.10 176.98 1f58 n ASN 138 N 0.27 -4.86 -4.61 -1.22 4.13 -0.81 -1.24 115.26 106.93 1f58 n ASN 138 Ca -0.08 -1.04 -0.25 0.00 1.68 0.00 0.00 54.58 54.89 1f58 n ASN 138 Cb 0.52 -3.19 -0.09 0.00 -1.54 0.00 0.00 39.78 35.48 1f58 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1f58 s PHE 139 N -3.50 2.52 -0.26 3.10 -0.71 0.25 -4.60 117.98 114.76 1f58 s PHE 139 Ca 0.45 -0.42 -0.20 0.00 -1.04 0.00 0.00 56.93 55.72 1f58 s PHE 139 Cb -0.17 -1.41 0.07 0.00 -1.21 0.00 0.00 43.02 40.30 1f58 s PHE 139 CO 0.87 0.52 0.68 -0.47 -1.34 0.00 0.00 175.22 175.48 1f58 s TYR 140 N -2.52 -0.88 0.99 3.49 6.14 -0.64 -0.19 117.35 123.75 1f58 s TYR 140 Ca 0.34 1.95 -0.14 0.00 0.64 0.00 0.00 57.07 59.86 1f58 s TYR 140 Cb -0.01 0.42 0.18 0.00 0.42 0.00 0.00 41.96 42.98 1f58 s TYR 140 CO 0.19 -0.43 1.13 -1.25 0.64 0.00 0.00 175.55 175.82 1f58 s PRO 141 N 0.96 0.51 0.41 4.97 0.04 -1.26 -1.22 135.00 139.41 1f58 s PRO 141 Ca -0.05 0.26 0.14 0.00 0.04 0.00 0.00 61.00 61.39 1f58 s PRO 141 Cb -0.05 -1.77 0.99 0.00 0.04 0.00 0.00 34.50 33.71 1f58 s PRO 141 CO -0.09 -2.62 1.93 -0.22 0.04 0.00 0.00 177.00 176.04 1f58 h LYS 142 N -1.81 0.47 -6.37 4.56 3.64 -1.98 -3.43 116.57 111.65 1f58 h LYS 142 Ca -0.51 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.30 1f58 h LYS 142 Cb 1.32 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1f58 h LYS 142 CO 0.55 0.31 1.06 -0.51 -2.27 0.00 0.00 179.45 178.60 1f58 s ASP 143 N -6.00 6.60 -0.03 4.20 1.01 -1.26 -4.98 116.67 116.22 1f58 s ASP 143 Ca -0.08 2.42 -0.18 0.00 0.71 0.00 0.00 52.55 55.42 1f58 s ASP 143 Cb 0.21 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1f58 s ASP 143 CO 0.77 -0.92 0.39 -0.51 0.21 0.00 0.00 175.17 175.10 1f58 s ILE 144 N 3.39 0.04 -0.16 0.77 2.07 -1.26 -4.53 121.20 121.53 1f58 s ILE 144 Ca 0.76 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 59.65 1f58 s ILE 144 Cb -0.38 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 41.54 1f58 s ILE 144 CO 0.33 -0.20 -0.20 0.20 -1.91 0.00 0.00 174.94 173.16 1f58 s ASN 145 N -1.25 3.06 -0.08 4.50 -0.87 -0.51 -4.97 114.94 114.82 1f58 s ASN 145 Ca -0.13 -0.61 0.03 0.00 -1.57 0.00 0.00 52.86 50.59 1f58 s ASN 145 Cb -0.04 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.25 39.75 1f58 s ASN 145 CO 0.05 0.03 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.74 1f58 s VAL 146 N 1.11 2.64 -0.00 1.60 1.01 -1.26 -0.28 120.40 125.22 1f58 s VAL 146 Ca -0.00 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1f58 s VAL 146 Cb -0.14 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1f58 s VAL 146 CO -0.08 0.56 -0.13 -0.54 0.00 0.00 0.00 175.10 174.91 1f58 s LYS 147 N -0.12 1.00 -0.10 2.72 -0.14 0.31 -4.99 119.74 118.42 1f58 s LYS 147 Ca -0.03 -0.50 -0.03 0.00 -1.36 0.00 0.00 55.97 54.04 1f58 s LYS 147 Cb -0.14 -0.97 -0.04 0.00 -1.68 0.00 0.00 37.83 35.01 1f58 s LYS 147 CO 0.04 0.26 0.04 -1.58 -0.76 0.00 0.00 175.35 173.35 1f58 s TRP 148 N -0.40 3.27 -0.05 3.18 0.52 -1.26 -0.58 118.94 123.62 1f58 s TRP 148 Ca 0.04 0.26 0.02 0.00 0.02 0.00 0.00 56.10 56.43 1f58 s TRP 148 Cb -0.05 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1f58 s TRP 148 CO -0.00 0.50 -0.07 0.15 0.02 0.00 0.00 176.95 177.55 1f58 s LYS 149 N -0.82 1.11 -0.20 4.98 1.02 -0.20 -1.27 119.74 124.36 1f58 s LYS 149 Ca 0.13 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 1f58 s LYS 149 Cb -0.12 -1.01 0.01 0.00 -0.52 0.00 0.00 37.83 36.19 1f58 s LYS 149 CO 0.03 -0.03 -0.12 0.42 -0.92 0.00 0.00 175.35 174.73 1f58 s ILE 150 N 0.76 2.74 -1.61 2.17 1.01 0.02 -0.85 121.20 125.43 1f58 s ILE 150 Ca -0.12 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1f58 s ILE 150 Cb -0.14 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.22 1f58 s ILE 150 CO 0.01 0.45 0.87 0.47 0.00 0.00 0.00 174.94 176.75 1f58 n ASP 151 N 4.71 -3.90 0.00 3.58 8.00 0.41 -1.25 116.55 128.09 1f58 n ASP 151 Ca -0.19 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1f58 n ASP 151 Cb 0.50 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 1f58 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f58 n GLY 152 N -1.56 1.68 3.56 0.44 0.00 -1.26 -5.03 105.19 103.01 1f58 n GLY 152 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1f58 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f58 s SER 153 N -3.29 4.54 0.30 1.61 0.01 -0.38 -5.03 113.70 111.46 1f58 s SER 153 Ca 0.00 -0.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 1f58 s SER 153 Cb 0.00 -1.14 -0.11 0.00 0.21 0.00 0.00 66.02 64.98 1f58 s SER 153 CO 0.00 0.35 1.52 -1.61 0.41 0.00 0.00 173.24 173.91 1f58 s GLU 154 N -0.74 4.17 -0.10 12.44 2.02 -1.26 -0.80 118.70 134.43 1f58 s GLU 154 Ca 0.11 2.49 0.02 0.00 0.02 0.00 0.00 54.97 57.61 1f58 s GLU 154 Cb -0.11 -3.04 0.01 0.00 0.10 0.00 0.00 34.13 31.09 1f58 s GLU 154 CO 0.01 -0.54 -0.18 0.50 0.02 0.00 0.00 175.26 175.08 1f58 s ARG 155 N -0.77 2.43 -0.01 1.61 6.06 -0.40 -4.89 118.95 122.98 1f58 s ARG 155 Ca 0.60 -0.65 0.03 0.00 -2.50 0.00 0.00 55.73 53.21 1f58 s ARG 155 Cb -0.46 -1.97 -0.04 0.00 0.06 0.00 0.00 34.95 32.54 1f58 s ARG 155 CO 0.49 0.02 0.04 1.04 -2.50 0.00 0.00 175.30 174.39 1f58 n GLN 156 N 3.95 1.50 -2.45 5.12 6.02 -1.26 -4.25 117.38 126.00 1f58 n GLN 156 Ca -0.20 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.37 1f58 n GLN 156 Cb 0.52 -1.07 -0.04 0.00 1.02 0.00 0.00 30.24 30.67 1f58 n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1f58 s ASN 157 N -2.75 7.22 0.00 1.08 0.01 -1.26 -3.32 114.94 115.92 1f58 s ASN 157 Ca -0.01 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.38 1f58 s ASN 157 Cb 0.01 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1f58 s ASN 157 CO 0.12 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1f58 n GLY 158 N 1.50 0.61 3.57 0.66 0.00 -1.26 -4.88 105.19 105.39 1f58 n GLY 158 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1f58 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f58 s VAL 159 N -2.10 5.08 -0.13 1.61 1.01 -1.21 -1.43 120.40 123.23 1f58 s VAL 159 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1f58 s VAL 159 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1f58 s VAL 159 CO 0.00 0.29 -0.21 -0.76 0.00 0.00 0.00 175.10 174.42 1f58 s LEU 160 N 1.60 2.04 0.13 3.92 1.43 -0.13 -4.97 118.68 122.70 1f58 s LEU 160 Ca 0.07 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1f58 s LEU 160 Cb -0.15 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1f58 s LEU 160 CO 0.08 0.07 -0.01 0.20 0.23 0.00 0.00 176.35 176.92 1f58 s ASN 161 N 0.85 4.87 -0.04 2.29 0.01 -1.26 -1.17 114.94 120.49 1f58 s ASN 161 Ca -0.07 -0.28 -0.03 0.00 -0.71 0.00 0.00 52.86 51.77 1f58 s ASN 161 Cb -0.15 -1.09 0.02 0.00 0.41 0.00 0.00 41.25 40.43 1f58 s ASN 161 CO -0.02 0.14 0.10 -0.55 -1.51 0.00 0.00 177.10 175.26 1f58 s SER 162 N -2.57 -0.08 0.13 -1.22 0.15 -0.14 -5.00 113.70 104.99 1f58 s SER 162 Ca 0.26 0.20 0.10 0.00 0.70 0.00 0.00 55.95 57.22 1f58 s SER 162 Cb -0.11 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1f58 s SER 162 CO 0.18 -0.09 -0.24 0.26 1.20 0.00 0.00 173.24 174.56 1f58 s TRP 163 N 0.59 2.38 0.48 3.44 0.51 -1.26 -0.85 118.94 124.22 1f58 s TRP 163 Ca -0.04 -0.34 0.01 0.00 -2.12 0.00 0.00 56.10 53.61 1f58 s TRP 163 Cb -0.06 -1.27 0.01 0.00 -0.81 0.00 0.00 33.47 31.34 1f58 s TRP 163 CO -0.02 0.37 0.69 0.95 -0.51 0.00 0.00 176.95 178.43 1f58 s THR 164 N -1.16 3.51 0.55 2.01 -4.23 -0.74 -5.01 115.64 110.57 1f58 s THR 164 Ca 0.16 -0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1f58 s THR 164 Cb -0.10 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.46 1f58 s THR 164 CO 0.08 -0.20 0.81 -0.62 -0.54 0.00 0.00 174.62 174.15 1f58 s ASP 165 N -4.29 5.50 0.12 3.99 2.15 -1.26 -4.64 116.67 118.24 1f58 s ASP 165 Ca 0.51 0.38 -0.35 0.00 0.43 0.00 0.00 52.55 53.52 1f58 s ASP 165 Cb -0.10 -1.39 -0.16 0.00 -0.30 0.00 0.00 42.92 40.97 1f58 s ASP 165 CO 0.37 -1.03 1.36 1.67 -0.17 0.00 0.00 175.17 177.37 1f58 n GLN 166 N -2.41 1.37 -2.06 4.34 7.27 -1.26 -4.77 117.38 119.85 1f58 n GLN 166 Ca 0.05 0.49 -0.42 0.00 0.07 0.00 0.00 57.00 57.19 1f58 n GLN 166 Cb 0.58 -2.14 -0.03 0.00 2.41 0.00 0.00 30.24 31.07 1f58 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1f58 s ASP 167 N 0.47 6.71 0.40 1.69 2.15 -0.07 -4.90 116.67 123.12 1f58 s ASP 167 Ca 0.81 2.56 0.15 0.00 0.43 0.00 0.00 52.55 56.49 1f58 s ASP 167 Cb -0.87 -2.61 0.83 0.00 -0.30 0.00 0.00 42.92 39.97 1f58 s ASP 167 CO 0.46 -0.68 1.87 0.77 -0.17 0.00 0.00 175.17 177.42 1f58 h SER 168 N 5.67 0.00 0.03 -0.34 4.64 -1.91 0.08 113.55 121.72 1f58 h SER 168 Ca -0.45 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.69 1f58 h SER 168 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1f58 h SER 168 CO 0.81 0.32 -0.97 0.11 -0.87 0.00 0.00 176.83 176.23 1f58 h LYS 169 N 0.00 0.07 -0.01 4.77 1.79 -1.99 -3.41 116.57 117.79 1f58 h LYS 169 Ca -0.00 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1f58 h LYS 169 Cb 0.59 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1f58 h LYS 169 CO 0.04 1.05 -0.20 -0.40 -1.08 0.00 0.00 179.45 178.86 1f58 n ASP 170 N -4.34 1.42 -1.23 0.86 5.68 -1.25 -5.01 116.55 112.68 1f58 n ASP 170 Ca -0.24 -1.21 -0.15 0.00 -0.50 0.00 0.00 54.79 52.68 1f58 n ASP 170 Cb 0.69 0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 41.00 1f58 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1f58 n SER 171 N -0.08 -4.82 -4.99 -1.12 7.64 0.01 -4.96 113.62 105.31 1f58 n SER 171 Ca 0.05 0.34 -0.19 0.00 1.01 0.00 0.00 58.87 60.08 1f58 n SER 171 Cb 0.25 -3.69 0.02 0.00 -1.01 0.00 0.00 64.21 59.77 1f58 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1f58 s THR 172 N -2.59 2.59 0.23 0.44 -4.23 -1.26 -4.60 115.64 106.22 1f58 s THR 172 Ca 0.00 -1.09 0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1f58 s THR 172 Cb 0.00 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1f58 s THR 172 CO 0.00 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.59 1f58 s TYR 173 N -2.50 2.38 0.08 3.99 1.51 0.74 -0.89 117.35 122.66 1f58 s TYR 173 Ca 0.54 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1f58 s TYR 173 Cb -0.07 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1f58 s TYR 173 CO 0.33 0.59 -0.07 -1.12 -1.11 0.00 0.00 175.55 174.18 1f58 s SER 174 N -3.09 1.01 -0.01 2.29 0.01 -1.26 -0.59 113.70 112.06 1f58 s SER 174 Ca 0.26 -0.89 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 1f58 s SER 174 Cb -0.07 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.26 1f58 s SER 174 CO 0.13 -0.41 0.23 -0.32 0.41 0.00 0.00 173.24 173.29 1f58 s MET 175 N -3.25 0.56 -0.03 12.44 0.00 0.57 -1.79 119.30 127.81 1f58 s MET 175 Ca 0.06 -0.25 0.05 0.00 0.00 0.00 0.00 55.69 55.56 1f58 s MET 175 Cb 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 34.83 35.08 1f58 s MET 175 CO -0.04 -0.14 -0.20 0.45 0.00 0.00 0.00 175.02 175.09 1f58 s SER 176 N -1.25 2.36 -0.07 1.11 0.15 -0.03 -0.93 113.70 115.03 1f58 s SER 176 Ca -0.13 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1f58 s SER 176 Cb -0.06 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 1f58 s SER 176 CO 0.03 0.21 -0.04 -0.55 1.20 0.00 0.00 173.24 174.09 1f58 s SER 177 N -0.25 1.43 -0.07 5.45 0.15 0.03 -0.96 113.70 119.47 1f58 s SER 177 Ca 0.02 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1f58 s SER 177 Cb -0.10 -0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1f58 s SER 177 CO 0.01 -0.11 -0.21 -0.89 1.20 0.00 0.00 173.24 173.25 1f58 s THR 178 N 1.39 1.76 -0.26 6.45 2.01 -0.31 -0.63 115.64 126.05 1f58 s THR 178 Ca -0.03 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 1f58 s THR 178 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 1f58 s THR 178 CO -0.03 0.50 0.05 -0.22 -0.69 0.00 0.00 174.62 174.23 1f58 s LEU 179 N 0.25 3.49 -0.14 4.42 2.96 -0.20 -0.96 118.68 128.50 1f58 s LEU 179 Ca -0.12 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1f58 s LEU 179 Cb -0.16 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1f58 s LEU 179 CO 0.06 -0.09 0.00 -0.89 -1.32 0.00 0.00 176.35 174.11 1f58 s THR 180 N 1.54 4.28 0.23 3.68 2.01 -0.51 -0.47 115.64 126.40 1f58 s THR 180 Ca 0.05 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1f58 s THR 180 Cb -0.16 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1f58 s THR 180 CO 0.02 0.52 0.19 -0.76 -0.69 0.00 0.00 174.62 173.90 1f58 s LEU 181 N -0.08 1.18 0.55 4.42 1.43 0.27 -4.73 118.68 121.72 1f58 s LEU 181 Ca 0.04 -1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 51.66 1f58 s LEU 181 Cb -0.13 0.53 -0.01 0.00 0.03 0.00 0.00 46.19 46.61 1f58 s LEU 181 CO 0.02 -0.91 0.86 0.42 0.23 0.00 0.00 176.35 176.97 1f58 s THR 182 N -4.01 4.14 0.19 5.49 -4.23 -1.26 -1.04 115.64 114.92 1f58 s THR 182 Ca 0.38 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.86 1f58 s THR 182 Cb 0.06 -3.61 0.12 0.00 1.34 0.00 0.00 72.50 70.40 1f58 s THR 182 CO 0.14 -0.62 1.85 0.50 -0.54 0.00 0.00 174.62 175.95 1f58 h LYS 183 N -0.02 0.90 -0.28 3.99 3.64 -1.46 -1.41 116.57 121.93 1f58 h LYS 183 Ca -0.46 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 1f58 h LYS 183 Cb 1.24 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1f58 h LYS 183 CO 0.61 0.62 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.95 1f58 h ASP 184 N 0.91 -0.14 -0.36 4.20 3.32 -1.94 0.45 116.42 122.86 1f58 h ASP 184 Ca 0.24 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1f58 h ASP 184 Cb -0.06 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1f58 h ASP 184 CO -0.05 -0.04 0.24 -0.33 -1.72 0.00 0.00 179.24 177.34 1f58 h GLU 185 N 0.06 0.47 -0.73 3.56 5.08 -1.90 -2.80 114.58 118.33 1f58 h GLU 185 Ca 0.13 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1f58 h GLU 185 Cb 0.18 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 1f58 h GLU 185 CO -0.24 0.32 0.39 -0.92 -1.00 0.00 0.00 179.01 177.56 1f58 h TYR 186 N 0.48 0.72 0.00 4.33 3.20 -0.43 -1.80 116.97 123.48 1f58 h TYR 186 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1f58 h TYR 186 Cb -0.05 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.01 1f58 h TYR 186 CO -0.05 0.30 0.00 0.39 -1.64 0.00 0.00 178.16 177.16 1f58 n GLU 187 N -4.80 0.55 0.00 1.82 1.02 0.07 -2.82 120.64 116.48 1f58 n GLU 187 Ca 0.11 0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1f58 n GLU 187 Cb 0.24 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.61 1f58 n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f58 n ARG 188 N -1.19 0.21 -4.35 3.49 1.74 -0.68 -4.89 116.66 110.99 1f58 n ARG 188 Ca 0.16 -0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.97 1f58 n ARG 188 Cb 0.18 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1f58 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1f58 s HIS 189 N -2.85 1.71 -0.03 -1.55 3.76 -1.13 -5.08 115.29 110.12 1f58 s HIS 189 Ca 0.17 -0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1f58 s HIS 189 Cb 0.19 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 1f58 s HIS 189 CO 0.59 0.28 -0.05 -1.71 -0.85 0.00 0.00 174.74 173.00 1f58 n ASN 190 N -0.41 0.40 -4.67 1.40 5.15 -1.26 -4.77 115.26 111.10 1f58 n ASN 190 Ca -0.07 0.06 -0.39 0.00 -0.60 0.00 0.00 54.58 53.58 1f58 n ASN 190 Cb 0.61 -0.15 -0.06 0.00 -0.53 0.00 0.00 39.78 39.65 1f58 n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1f58 s SER 191 N -5.45 6.65 -0.14 1.20 0.15 -1.26 -0.79 113.70 114.06 1f58 s SER 191 Ca -0.06 0.78 0.01 0.00 0.70 0.00 0.00 55.95 57.39 1f58 s SER 191 Cb 0.02 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1f58 s SER 191 CO 0.07 -0.20 -0.16 -0.31 1.20 0.00 0.00 173.24 173.84 1f58 s TYR 192 N 1.63 2.21 -0.06 3.44 1.51 -0.68 -0.45 117.35 124.96 1f58 s TYR 192 Ca 0.27 -1.18 0.04 0.00 -1.01 0.00 0.00 57.07 55.18 1f58 s TYR 192 Cb -0.16 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1f58 s TYR 192 CO 0.10 -0.62 -0.16 0.99 -1.11 0.00 0.00 175.55 174.75 1f58 s THR 193 N 1.27 1.41 -0.26 -0.71 2.01 -0.03 -1.92 115.64 117.41 1f58 s THR 193 Ca 0.01 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1f58 s THR 193 Cb -0.14 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.15 1f58 s THR 193 CO -0.07 0.41 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 1f58 s GLU 195 N 1.45 3.13 -0.06 0.00 2.12 0.26 -1.56 118.70 124.04 1f58 s GLU 195 Ca 0.03 -0.81 0.06 0.00 0.36 0.00 0.00 54.97 54.60 1f58 s GLU 195 Cb -0.16 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 1f58 s GLU 195 CO -0.01 0.10 -0.24 0.00 -0.54 0.00 0.00 175.26 174.56 1f58 s ALA 196 N 0.57 2.10 -0.19 6.30 0.00 0.69 -0.53 121.76 130.71 1f58 s ALA 196 Ca -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1f58 s ALA 196 Cb -0.16 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1f58 s ALA 196 CO 0.04 0.38 -0.02 0.99 0.00 0.00 0.00 175.76 177.15 1f58 s THR 197 N -0.05 3.86 0.03 0.00 2.01 0.62 -0.08 115.64 122.02 1f58 s THR 197 Ca -0.07 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1f58 s THR 197 Cb -0.14 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 1f58 s THR 197 CO 0.05 0.45 -0.02 -2.28 -0.69 0.00 0.00 174.62 172.13 1f58 s HIS 198 N 0.86 0.33 0.57 4.92 2.46 -1.26 -1.42 115.29 121.74 1f58 s HIS 198 Ca 0.00 -0.68 0.29 0.00 0.47 0.00 0.00 55.06 55.14 1f58 s HIS 198 Cb -0.14 -0.24 1.47 0.00 -0.13 0.00 0.00 32.58 33.54 1f58 s HIS 198 CO 0.02 -0.26 1.92 -0.22 -2.47 0.00 0.00 174.74 173.73 1f58 h LYS 199 N 4.13 0.00 0.00 2.88 3.64 -1.94 -2.39 116.57 122.90 1f58 h LYS 199 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1f58 h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1f58 h LYS 199 CO 0.49 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.92 1f58 n THR 200 N -3.96 0.90 -3.79 1.00 -2.24 -1.26 -4.79 114.28 100.14 1f58 n THR 200 Ca 0.11 0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1f58 n THR 200 Cb 0.71 -1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 1f58 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1f58 s SER 201 N -3.35 -0.19 0.08 3.42 0.15 -0.90 -5.00 113.70 107.92 1f58 s SER 201 Ca 0.07 0.23 0.27 0.00 0.70 0.00 0.00 55.95 57.22 1f58 s SER 201 Cb 0.10 0.40 0.93 0.00 -1.71 0.00 0.00 66.02 65.74 1f58 s SER 201 CO 0.32 -0.27 1.77 0.35 1.20 0.00 0.00 173.24 176.61 1f58 n THR 202 N 2.09 0.24 -5.04 6.45 -2.24 -1.26 -4.56 114.28 109.95 1f58 n THR 202 Ca -0.18 -0.12 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 1f58 n THR 202 Cb 0.57 -0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.24 1f58 n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1f58 s SER 203 N -3.64 3.42 0.51 3.42 1.04 -1.26 -5.11 113.70 112.09 1f58 s SER 203 Ca 0.12 -0.41 -0.22 0.00 0.48 0.00 0.00 55.95 55.91 1f58 s SER 203 Cb 0.16 -0.50 -0.07 0.00 0.10 0.00 0.00 66.02 65.71 1f58 s SER 203 CO 0.59 0.31 1.18 -2.65 0.98 0.00 0.00 173.24 173.65 1f58 n PRO 204 N 2.17 1.50 -3.10 4.02 -0.02 -1.26 -4.87 135.00 133.43 1f58 n PRO 204 Ca -0.16 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.46 1f58 n PRO 204 Cb 0.52 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1f58 n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1f58 s ILE 205 N -1.32 5.00 -0.06 4.25 1.09 0.88 -4.90 121.20 126.14 1f58 s ILE 205 Ca 0.69 1.20 0.05 0.00 -1.10 0.00 0.00 60.65 61.48 1f58 s ILE 205 Cb -0.46 -3.95 -0.00 0.00 -1.06 0.00 0.00 42.46 36.98 1f58 s ILE 205 CO 0.52 0.09 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.56 1f58 s VAL 206 N 2.07 1.68 -0.04 2.92 1.01 -1.26 -0.22 120.40 126.55 1f58 s VAL 206 Ca 0.29 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1f58 s VAL 206 Cb -0.16 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1f58 s VAL 206 CO 0.10 0.47 -0.09 -0.54 0.00 0.00 0.00 175.10 175.05 1f58 s LYS 207 N 0.11 1.13 0.26 2.72 -0.14 -0.60 -5.01 119.74 118.21 1f58 s LYS 207 Ca -0.08 -0.28 0.01 0.00 -1.36 0.00 0.00 55.97 54.26 1f58 s LYS 207 Cb -0.14 -1.02 -0.03 0.00 -1.68 0.00 0.00 37.83 34.96 1f58 s LYS 207 CO 0.04 0.04 0.24 -1.12 -0.76 0.00 0.00 175.35 173.78 1f58 s SER 208 N 0.51 0.76 -0.02 2.83 0.01 -1.26 -0.50 113.70 116.03 1f58 s SER 208 Ca -0.09 -1.50 -0.29 0.00 1.31 0.00 0.00 55.95 55.38 1f58 s SER 208 Cb -0.12 0.48 0.07 0.00 0.21 0.00 0.00 66.02 66.66 1f58 s SER 208 CO 0.01 -0.98 0.65 0.72 0.41 0.00 0.00 173.24 174.05 1f58 s PHE 209 N -3.79 -0.61 -0.08 2.43 -0.12 -0.81 -4.99 117.98 110.00 1f58 s PHE 209 Ca 0.38 0.96 0.01 0.00 -0.05 0.00 0.00 56.93 58.23 1f58 s PHE 209 Cb 0.04 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1f58 s PHE 209 CO 0.18 -0.63 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.83 1f58 s ASN 210 N -1.43 4.43 0.50 1.98 0.01 -1.26 -1.69 114.94 117.48 1f58 s ASN 210 Ca -0.09 -0.11 0.23 0.00 -0.71 0.00 0.00 52.86 52.18 1f58 s ASN 210 Cb -0.00 -1.20 1.31 0.00 0.41 0.00 0.00 41.25 41.77 1f58 s ASN 210 CO 0.06 0.32 1.97 0.03 -1.51 0.00 0.00 177.10 177.97 1f58 h ARG 211 N 5.59 0.11 0.00 -0.60 3.08 -1.27 -3.49 114.38 117.80 1f58 h ARG 211 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1f58 h ARG 211 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1f58 h ARG 211 CO 0.53 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.50