#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i57 s GLN 2 N 0.00 2.69 0.03 2.12 -1.52 0.10 -4.94 119.66 118.14 3i57 s GLN 2 Ca 0.00 -1.10 0.06 0.00 -1.95 0.00 0.00 55.36 52.37 3i57 s GLN 2 Cb 0.00 -2.46 -0.02 0.00 -0.22 0.00 0.00 33.01 30.31 3i57 s GLN 2 CO 0.00 0.42 -0.17 0.15 -0.25 0.00 0.00 175.29 175.44 3i57 s LYS 3 N -3.46 1.20 0.03 2.91 1.02 -1.26 -1.32 119.74 118.85 3i57 s LYS 3 Ca 0.31 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.56 3i57 s LYS 3 Cb -0.08 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.97 3i57 s LYS 3 CO 0.22 0.32 -0.13 0.08 -0.92 0.00 0.00 175.35 174.92 3i57 s VAL 4 N -0.71 1.04 -0.08 3.17 1.01 0.01 -1.92 120.40 122.92 3i57 s VAL 4 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3i57 s VAL 4 Cb -0.08 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3i57 s VAL 4 CO 0.01 0.06 -0.07 -1.00 0.00 0.00 0.00 175.10 174.10 3i57 s HIS 5 N -0.72 1.20 -0.22 5.22 0.09 0.23 -1.14 115.29 119.96 3i57 s HIS 5 Ca 0.02 -0.50 -0.05 0.00 -0.00 0.00 0.00 55.06 54.53 3i57 s HIS 5 Cb -0.07 -1.01 -0.02 0.00 -0.00 0.00 0.00 32.58 31.48 3i57 s HIS 5 CO 0.01 -0.37 -0.00 0.08 -0.00 0.00 0.00 174.74 174.46 3i57 s VAL 6 N 1.35 3.78 -0.21 -0.90 1.01 0.67 -1.34 120.40 124.77 3i57 s VAL 6 Ca -0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3i57 s VAL 6 Cb -0.14 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3i57 s VAL 6 CO -0.03 0.41 -0.06 -1.10 0.00 0.00 0.00 175.10 174.31 3i57 s GLN 7 N 1.32 3.37 -0.25 2.72 -0.21 0.79 -1.19 119.66 126.22 3i57 s GLN 7 Ca 0.04 -0.64 -0.18 0.00 0.02 0.00 0.00 55.36 54.61 3i57 s GLN 7 Cb -0.15 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 3i57 s GLN 7 CO 0.00 -0.13 0.50 0.71 -2.12 0.00 0.00 175.29 174.25 3i57 s TYR 8 N 1.30 3.29 -0.04 0.91 1.51 -0.11 0.02 117.35 124.23 3i57 s TYR 8 Ca 0.04 0.65 0.05 0.00 -1.01 0.00 0.00 57.07 56.80 3i57 s TYR 8 Cb -0.14 -2.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.01 3i57 s TYR 8 CO -0.03 -0.23 -0.20 0.42 -1.11 0.00 0.00 175.55 174.40 3i57 s ILE 9 N 2.11 1.63 -0.53 2.71 -1.09 0.44 0.08 121.20 126.56 3i57 s ILE 9 Ca 0.21 -0.85 -0.23 0.00 -2.23 0.00 0.00 60.65 57.55 3i57 s ILE 9 Cb -0.16 -1.38 0.04 0.00 -1.58 0.00 0.00 42.46 39.39 3i57 s ILE 9 CO 0.09 0.46 0.86 -0.62 -1.23 0.00 0.00 174.94 174.50 3i57 s ASP 10 N -0.21 6.33 0.00 3.58 -1.08 0.29 -0.74 116.67 124.84 3i57 s ASP 10 Ca 0.01 -0.41 0.29 0.00 -0.52 0.00 0.00 52.55 51.92 3i57 s ASP 10 Cb -0.11 -2.40 1.60 0.00 -1.46 0.00 0.00 42.92 40.55 3i57 s ASP 10 CO 0.01 -1.12 2.05 0.61 0.52 0.00 0.00 175.17 177.25 3i57 n GLY 11 N 5.11 -1.10 0.10 2.66 0.00 0.39 -0.65 105.19 111.69 3i57 n GLY 11 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3i57 n GLY 11 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i57 h GLU 12 N 0.00 0.11 -0.11 1.61 5.08 -1.92 -3.37 114.58 115.98 3i57 h GLU 12 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3i57 h GLU 12 Cb 0.15 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3i57 h GLU 12 CO 0.00 0.80 0.00 0.25 -1.00 0.00 0.00 179.01 179.06 3i57 n THR 13 N -3.24 0.23 -3.87 1.13 -2.24 -1.15 -5.00 114.28 100.13 3i57 n THR 13 Ca -0.20 -0.62 -0.38 0.00 -2.27 0.00 0.00 64.05 60.59 3i57 n THR 13 Cb 1.04 1.10 0.03 0.00 -2.10 0.00 0.00 70.33 70.40 3i57 n THR 13 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i57 n ASP 14 N 0.74 -4.77 -3.95 3.42 8.00 0.18 -4.99 116.55 115.18 3i57 n ASP 14 Ca 0.09 -1.13 -0.21 0.00 0.71 0.00 0.00 54.79 54.25 3i57 n ASP 14 Cb 0.36 -2.37 -0.16 0.00 -0.02 0.00 0.00 41.12 38.93 3i57 n ASP 14 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3i57 s GLN 15 N -6.49 1.09 0.02 -1.24 2.00 -0.83 -4.99 119.66 109.23 3i57 s GLN 15 Ca 0.41 -0.23 -0.30 0.00 -2.00 0.00 0.00 55.36 53.25 3i57 s GLN 15 Cb -0.20 -1.00 -0.04 0.00 0.80 0.00 0.00 33.01 32.58 3i57 s GLN 15 CO 0.92 -0.01 0.98 1.41 -0.50 0.00 0.00 175.29 178.09 3i57 s MET 16 N 0.69 4.59 -0.17 1.67 -2.45 -1.26 -0.55 119.30 121.82 3i57 s MET 16 Ca -0.11 1.43 0.13 0.00 -1.25 0.00 0.00 55.69 55.90 3i57 s MET 16 Cb -0.14 -3.44 -0.24 0.00 1.25 0.00 0.00 34.83 32.27 3i57 s MET 16 CO 0.01 0.00 0.17 1.28 1.05 0.00 0.00 175.02 177.53 3i57 n LEU 17 N 3.67 0.73 -3.58 4.11 4.77 0.11 -4.93 117.00 121.88 3i57 n LEU 17 Ca 0.05 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 3i57 n LEU 17 Cb 0.51 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 3i57 n LEU 17 CO 0.52 0.56 0.81 -0.60 -1.33 0.00 0.00 177.39 177.35 3i57 s ARG 18 N -2.52 0.55 -0.04 3.23 3.52 -1.18 -5.01 118.95 117.49 3i57 s ARG 18 Ca -0.13 0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.59 3i57 s ARG 18 Cb 0.07 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.72 3i57 s ARG 18 CO 0.79 -0.18 -0.12 -1.14 -0.81 0.00 0.00 175.30 173.85 3i57 s GLN 19 N -1.27 1.42 -0.17 5.12 0.74 -1.26 -0.94 119.66 123.29 3i57 s GLN 19 Ca 0.00 -0.41 -0.04 0.00 0.05 0.00 0.00 55.36 54.97 3i57 s GLN 19 Cb -0.01 -1.24 -0.02 0.00 1.10 0.00 0.00 33.01 32.84 3i57 s GLN 19 CO -0.00 0.11 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.29 3i57 s ASP 20 N 0.35 4.61 -0.07 6.67 1.01 -0.33 -4.94 116.67 123.98 3i57 s ASP 20 Ca -0.08 -0.22 -0.07 0.00 0.71 0.00 0.00 52.55 52.90 3i57 s ASP 20 Cb -0.12 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 3i57 s ASP 20 CO 0.02 0.11 0.19 -1.81 0.21 0.00 0.00 175.17 173.89 3i57 s ASP 21 N 0.70 6.44 0.03 0.27 1.01 -1.26 -0.24 116.67 123.62 3i57 s ASP 21 Ca -0.02 0.50 0.02 0.00 0.71 0.00 0.00 52.55 53.76 3i57 s ASP 21 Cb -0.15 -2.07 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 3i57 s ASP 21 CO 0.02 0.34 -0.07 -0.76 0.21 0.00 0.00 175.17 174.92 3i57 s LEU 22 N -1.35 2.17 0.12 1.23 1.43 -0.29 -5.00 118.68 116.99 3i57 s LEU 22 Ca 0.20 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.01 3i57 s LEU 22 Cb -0.13 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 3i57 s LEU 22 CO 0.10 -0.11 -0.25 -1.81 0.23 0.00 0.00 176.35 174.51 3i57 s ASP 23 N -1.09 3.09 0.24 2.29 -0.00 -1.26 -0.81 116.67 119.13 3i57 s ASP 23 Ca -0.06 -0.73 -0.14 0.00 -0.00 0.00 0.00 52.55 51.62 3i57 s ASP 23 Cb -0.07 -0.20 0.05 0.00 -0.00 0.00 0.00 42.92 42.70 3i57 s ASP 23 CO 0.00 0.14 0.70 0.61 -0.00 0.00 0.00 175.17 176.63 3i57 n GLY 24 N 0.96 1.01 3.86 0.21 0.00 -0.44 -4.96 105.19 105.83 3i57 n GLY 24 Ca -0.18 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3i57 n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i57 s TYR 25 N -3.33 3.48 0.21 1.61 2.02 -1.26 0.00 117.35 120.08 3i57 s TYR 25 Ca 0.15 0.97 -0.32 0.00 -0.37 0.00 0.00 57.07 57.50 3i57 s TYR 25 Cb -0.03 -2.32 -0.13 0.00 -0.40 0.00 0.00 41.96 39.07 3i57 s TYR 25 CO 0.07 0.30 1.49 2.41 -1.57 0.00 0.00 175.55 178.26 3i57 n THR 26 N 0.15 0.56 -0.56 -0.71 -1.04 -1.26 -1.03 114.28 110.40 3i57 n THR 26 Ca -0.01 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3i57 n THR 26 Cb 0.52 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 3i57 n THR 26 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i57 n ASP 27 N 2.68 0.00 -4.76 8.00 8.00 -0.61 -4.99 116.55 124.87 3i57 n ASP 27 Ca 0.14 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 3i57 n ASP 27 Cb 0.31 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 3i57 n ASP 27 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i57 s GLU 28 N -0.13 4.45 0.14 -1.24 2.12 -0.20 -4.79 118.70 119.05 3i57 s GLU 28 Ca 0.00 2.05 -0.31 0.00 0.36 0.00 0.00 54.97 57.07 3i57 s GLU 28 Cb 0.00 -3.14 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 3i57 s GLU 28 CO 0.00 -0.08 1.48 0.99 -0.54 0.00 0.00 175.26 177.11 3i57 s THR 29 N -0.83 2.97 -0.11 -1.70 2.01 -1.26 -1.30 115.64 115.42 3i57 s THR 29 Ca 0.49 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 3i57 s THR 29 Cb -0.37 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3i57 s THR 29 CO 0.46 0.05 1.68 -0.63 -0.69 0.00 0.00 174.62 175.48 3i57 s ILE 30 N 1.17 3.58 -1.37 1.82 1.01 0.28 -4.84 121.20 122.84 3i57 s ILE 30 Ca 0.67 0.68 -0.13 0.00 0.00 0.00 0.00 60.65 61.88 3i57 s ILE 30 Cb -0.40 -3.50 0.09 0.00 0.01 0.00 0.00 42.46 38.66 3i57 s ILE 30 CO 0.31 -0.13 2.02 -0.81 0.00 0.00 0.00 174.94 176.33 3i57 n PRO 31 N 7.37 3.16 -3.79 2.79 -0.04 -1.26 -4.85 135.00 138.39 3i57 n PRO 31 Ca 0.18 -3.04 -0.13 0.00 -0.04 0.00 0.00 63.50 60.48 3i57 n PRO 31 Cb 0.44 -3.19 -0.10 0.00 -0.04 0.00 0.00 33.50 30.61 3i57 n PRO 31 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3i57 s TYR 32 N 2.34 -0.18 0.02 0.54 5.04 -1.26 -5.16 117.35 118.70 3i57 s TYR 32 Ca 0.45 0.35 0.04 0.00 -2.44 0.00 0.00 57.07 55.48 3i57 s TYR 32 Cb 0.10 0.07 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 3i57 s TYR 32 CO -0.04 -0.28 -0.13 0.45 -1.34 0.00 0.00 175.55 174.22 3i57 s SER 33 N -0.80 1.51 0.00 4.32 0.15 -1.26 -4.96 113.70 112.66 3i57 s SER 33 Ca -0.09 -0.36 0.29 0.00 0.70 0.00 0.00 55.95 56.49 3i57 s SER 33 Cb -0.05 -0.12 1.66 0.00 -1.71 0.00 0.00 66.02 65.81 3i57 s SER 33 CO 0.02 0.07 2.08 0.35 1.20 0.00 0.00 173.24 176.96 3i57 n THR 34 N 2.26 0.00 -0.03 6.45 -2.24 -1.26 -4.37 114.28 115.09 3i57 n THR 34 Ca -0.16 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 3i57 n THR 34 Cb 0.55 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 3i57 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i57 h ALA 35 N 3.95 0.19 -0.68 6.98 0.00 -1.99 -0.14 119.26 127.57 3i57 h ALA 35 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3i57 h ALA 35 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3i57 h ALA 35 CO 0.00 -0.29 0.21 0.93 0.00 0.00 0.00 179.25 180.10 3i57 h GLU 36 N 0.16 1.05 -0.45 0.00 5.08 -2.00 -0.75 114.58 117.67 3i57 h GLU 36 Ca 0.05 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 3i57 h GLU 36 Cb 0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3i57 h GLU 36 CO -0.01 0.91 -0.04 0.78 -1.00 0.00 0.00 179.01 179.65 3i57 h GLY 37 N 0.99 0.88 0.99 -3.84 0.00 -1.77 -0.81 103.07 99.50 3i57 h GLY 37 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3i57 h GLY 37 CO -0.01 0.62 0.13 -2.22 0.00 0.00 0.00 176.54 175.07 3i57 h ILE 38 N 0.65 1.05 -0.63 2.60 2.04 -0.92 -1.75 117.51 120.55 3i57 h ILE 38 Ca 0.12 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.98 3i57 h ILE 38 Cb 0.56 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 3i57 h ILE 38 CO 0.03 0.05 0.27 0.50 0.00 0.00 0.00 178.15 179.00 3i57 h LYS 39 N 0.27 0.46 0.27 2.37 3.64 -0.89 -0.21 116.57 122.49 3i57 h LYS 39 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3i57 h LYS 39 Cb -0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3i57 h LYS 39 CO -0.02 0.30 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.07 3i57 h LYS 40 N 0.47 -0.41 -0.30 1.90 3.11 -0.88 -1.03 116.57 119.42 3i57 h LYS 40 Ca 0.31 0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 58.09 3i57 h LYS 40 Cb 0.35 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 3i57 h LYS 40 CO -0.28 -0.28 -0.19 0.74 -2.81 0.00 0.00 179.45 176.63 3i57 h PHE 41 N -0.43 0.60 0.00 1.91 0.04 -1.10 -1.76 116.94 116.20 3i57 h PHE 41 Ca -0.03 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 3i57 h PHE 41 Cb 0.36 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3i57 h PHE 41 CO -0.09 0.70 -0.21 0.93 -0.60 0.00 0.00 178.31 179.04 3i57 h GLU 42 N 0.49 0.00 0.00 1.51 5.08 -0.90 0.38 114.58 121.15 3i57 h GLU 42 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i57 h GLU 42 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3i57 h GLU 42 CO 0.04 0.21 0.00 0.78 -1.00 0.00 0.00 179.01 179.04 3i57 h GLY 43 N 0.69 0.00 -3.11 -3.84 0.00 -0.29 -2.01 103.07 94.51 3i57 h GLY 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i57 h GLY 43 CO 0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.79 3i57 n ASP 44 N -2.77 4.78 0.00 0.19 8.00 0.06 -4.94 116.55 121.87 3i57 n ASP 44 Ca 0.01 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.09 3i57 n ASP 44 Cb 0.26 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3i57 n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i57 n GLY 45 N 1.21 0.43 3.81 0.44 0.00 -0.75 -4.25 105.19 106.09 3i57 n GLY 45 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 3i57 n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i57 s TYR 46 N -2.04 2.85 -0.05 1.61 2.02 -0.80 -1.01 117.35 119.93 3i57 s TYR 46 Ca 0.00 1.14 0.01 0.00 -0.37 0.00 0.00 57.07 57.85 3i57 s TYR 46 Cb 0.00 -3.13 0.02 0.00 -0.40 0.00 0.00 41.96 38.45 3i57 s TYR 46 CO 0.00 -1.75 -0.07 -2.00 -1.57 0.00 0.00 175.55 170.15 3i57 s GLU 47 N -5.17 1.17 0.15 -0.62 2.12 0.10 -4.20 118.70 112.25 3i57 s GLU 47 Ca 0.61 -0.22 -0.33 0.00 0.36 0.00 0.00 54.97 55.39 3i57 s GLU 47 Cb -0.14 -1.07 -0.12 0.00 0.26 0.00 0.00 34.13 33.05 3i57 s GLU 47 CO 0.54 -0.05 1.71 -0.11 -0.54 0.00 0.00 175.26 176.81 3i57 n LEU 48 N 3.99 3.64 -0.11 2.70 7.94 -1.26 -0.60 117.00 133.29 3i57 n LEU 48 Ca -0.24 1.05 -0.23 0.00 -1.11 0.00 0.00 56.01 55.48 3i57 n LEU 48 Cb 0.51 -1.50 -0.08 0.00 0.53 0.00 0.00 43.42 42.88 3i57 n LEU 48 CO 0.24 -0.01 -1.23 0.33 -1.11 0.00 0.00 177.39 175.61 3i57 n PHE 49 N 4.30 0.00 -3.58 1.96 7.35 0.34 -4.79 117.46 123.04 3i57 n PHE 49 Ca 0.17 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 3i57 n PHE 49 Cb 0.33 -0.80 -0.10 0.00 0.35 0.00 0.00 39.48 39.26 3i57 n PHE 49 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3i57 s LYS 50 N -2.47 0.30 -0.41 -4.13 2.20 -0.61 -5.00 119.74 109.62 3i57 s LYS 50 Ca -0.32 0.85 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 3i57 s LYS 50 Cb 0.12 0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 3i57 s LYS 50 CO 0.41 -0.36 0.35 0.34 -0.36 0.00 0.00 175.35 175.73 3i57 s ASP 51 N 2.56 6.14 0.00 1.43 -1.08 -1.26 0.22 116.67 124.68 3i57 s ASP 51 Ca 0.03 -0.77 0.21 0.00 -0.52 0.00 0.00 52.55 51.49 3i57 s ASP 51 Cb -0.13 -2.18 0.55 0.00 -1.46 0.00 0.00 42.92 39.70 3i57 s ASP 51 CO -0.13 -0.48 1.45 0.59 0.52 0.00 0.00 175.17 177.12 3i57 n ASN 52 N 5.32 2.64 -4.61 -0.34 5.03 0.17 -4.84 115.26 118.63 3i57 n ASN 52 Ca -0.10 -1.89 -0.43 0.00 0.87 0.00 0.00 54.58 53.04 3i57 n ASN 52 Cb 0.47 -0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 38.99 3i57 n ASN 52 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3i57 s PHE 53 N -1.57 3.07 0.23 3.10 5.36 -1.25 -4.67 117.98 122.25 3i57 s PHE 53 Ca 0.35 0.86 -0.30 0.00 -0.96 0.00 0.00 56.93 56.89 3i57 s PHE 53 Cb 0.20 -3.74 -0.09 0.00 -0.34 0.00 0.00 43.02 39.05 3i57 s PHE 53 CO 0.28 -0.86 1.05 -2.14 -1.46 0.00 0.00 175.22 172.09 3i57 s PRO 54 N 3.62 4.69 0.04 10.12 0.02 -1.26 -4.95 135.00 147.27 3i57 s PRO 54 Ca 0.41 1.68 -0.36 0.00 0.02 0.00 0.00 61.00 62.75 3i57 s PRO 54 Cb -0.11 -3.25 -0.15 0.00 0.02 0.00 0.00 34.50 31.01 3i57 s PRO 54 CO 0.19 0.25 1.57 0.00 -0.33 0.00 0.00 177.00 178.69 3i57 n ALA 55 N 1.68 0.31 -1.18 -1.55 0.00 -1.26 -2.23 120.51 116.28 3i57 n ALA 55 Ca -0.00 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 3i57 n ALA 55 Cb 0.46 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 3i57 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i57 n GLY 56 N 3.38 0.78 3.64 0.00 0.00 -1.26 -4.96 105.19 106.77 3i57 n GLY 56 Ca 0.20 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 3i57 n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i57 n GLU 57 N -1.83 1.73 -3.98 1.61 4.07 -0.95 -4.77 120.64 116.53 3i57 n GLU 57 Ca -0.06 0.61 -0.25 0.00 -0.06 0.00 0.00 57.16 57.40 3i57 n GLU 57 Cb 0.32 -2.13 -0.03 0.00 -0.06 0.00 0.00 31.44 29.54 3i57 n GLU 57 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3i57 s LYS 58 N -1.23 3.32 0.29 5.31 1.02 -1.26 -0.56 119.74 126.64 3i57 s LYS 58 Ca 0.62 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 3i57 s LYS 58 Cb -0.67 -2.88 -0.10 0.00 -0.52 0.00 0.00 37.83 33.66 3i57 s LYS 58 CO 0.57 0.49 1.45 -0.06 -0.92 0.00 0.00 175.35 176.88 3i57 s PHE 59 N -1.80 2.91 0.51 3.18 0.08 -0.42 -4.83 117.98 117.62 3i57 s PHE 59 Ca 0.34 1.08 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 3i57 s PHE 59 Cb -0.10 -3.87 0.12 0.00 -0.57 0.00 0.00 43.02 38.60 3i57 s PHE 59 CO 0.28 -2.73 0.56 -0.40 -0.10 0.00 0.00 175.22 172.82 3i57 n ASP 60 N 1.73 -0.79 -2.18 1.36 5.68 -1.26 -1.57 116.55 119.51 3i57 n ASP 60 Ca 0.05 -1.00 -0.25 0.00 -0.50 0.00 0.00 54.79 53.09 3i57 n ASP 60 Cb 0.40 -0.47 0.01 0.00 -1.14 0.00 0.00 41.12 39.93 3i57 n ASP 60 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i57 n ASN 61 N -3.65 4.81 -3.78 -1.12 5.15 -1.26 -4.29 115.26 111.12 3i57 n ASN 61 Ca 0.07 -3.72 -0.30 0.00 -0.60 0.00 0.00 54.58 50.04 3i57 n ASN 61 Cb 0.27 -0.38 -0.15 0.00 -0.53 0.00 0.00 39.78 38.99 3i57 n ASN 61 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i57 s ASP 62 N -3.58 4.10 0.36 1.20 -1.08 -1.26 -5.00 116.67 111.42 3i57 s ASP 62 Ca 0.50 -1.84 0.08 0.00 -0.52 0.00 0.00 52.55 50.76 3i57 s ASP 62 Cb 0.41 -1.01 0.69 0.00 -1.46 0.00 0.00 42.92 41.55 3i57 s ASP 62 CO -0.04 -0.39 1.88 0.44 0.52 0.00 0.00 175.17 177.58 3i57 h ASP 63 N 7.85 0.30 0.82 -0.34 3.32 -1.93 -3.18 116.42 123.27 3i57 h ASP 63 Ca -0.11 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.71 3i57 h ASP 63 Cb 1.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3i57 h ASP 63 CO 0.48 0.47 -0.82 0.00 -1.72 0.00 0.00 179.24 177.65 3i57 h THR 64 N 0.30 1.58 -4.03 0.35 1.03 -1.98 -3.45 112.91 106.71 3i57 h THR 64 Ca 0.06 -2.80 -0.68 0.00 -0.01 0.00 0.00 66.41 62.98 3i57 h THR 64 Cb 0.42 2.51 -0.31 0.00 -1.07 0.00 0.00 68.15 69.70 3i57 h THR 64 CO 0.02 0.80 -0.88 0.20 -0.01 0.00 0.00 175.52 175.65 3i57 s ASN 65 N -6.77 2.99 0.63 0.00 -0.87 -1.20 -5.14 114.94 104.58 3i57 s ASN 65 Ca -0.00 -0.50 -0.07 0.00 -1.57 0.00 0.00 52.86 50.72 3i57 s ASN 65 Cb 0.11 -0.80 0.02 0.00 -0.02 0.00 0.00 41.25 40.56 3i57 s ASN 65 CO 0.79 0.24 0.96 -1.81 -2.57 0.00 0.00 177.10 174.71 3i57 s ASP 66 N -0.17 5.48 -0.19 -1.22 1.01 -1.26 -4.79 116.67 115.53 3i57 s ASP 66 Ca -0.03 0.79 -0.09 0.00 0.71 0.00 0.00 52.55 53.93 3i57 s ASP 66 Cb -0.13 -1.70 -0.05 0.00 1.01 0.00 0.00 42.92 42.04 3i57 s ASP 66 CO 0.03 -1.19 0.11 -1.10 0.21 0.00 0.00 175.17 173.24 3i57 s GLN 67 N -5.11 4.10 -0.06 8.23 -0.21 -0.81 -5.03 119.66 120.78 3i57 s GLN 67 Ca 0.55 -0.24 0.05 0.00 0.02 0.00 0.00 55.36 55.75 3i57 s GLN 67 Cb -0.11 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 3i57 s GLN 67 CO 0.47 0.32 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.67 3i57 s PHE 68 N 0.29 2.50 -0.03 0.91 0.08 -1.26 -0.60 117.98 119.86 3i57 s PHE 68 Ca 0.07 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.57 3i57 s PHE 68 Cb -0.11 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 3i57 s PHE 68 CO -0.01 -0.11 -0.02 0.71 -0.10 0.00 0.00 175.22 175.68 3i57 s TYR 69 N -0.31 0.52 0.09 0.36 2.02 -0.45 -4.97 117.35 114.62 3i57 s TYR 69 Ca 0.01 -0.10 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 3i57 s TYR 69 Cb -0.13 -0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 3i57 s TYR 69 CO 0.02 -0.15 0.32 0.95 -1.57 0.00 0.00 175.55 175.13 3i57 s THR 70 N 0.89 5.23 -0.21 -0.71 -4.23 -1.26 -0.15 115.64 115.19 3i57 s THR 70 Ca -0.10 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 3i57 s THR 70 Cb -0.13 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.14 3i57 s THR 70 CO -0.01 0.16 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.43 3i57 s VAL 71 N -1.52 1.83 -0.12 2.29 1.01 0.10 -0.66 120.40 123.34 3i57 s VAL 71 Ca 0.36 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3i57 s VAL 71 Cb -0.13 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3i57 s VAL 71 CO 0.22 0.15 -0.07 -0.63 0.00 0.00 0.00 175.10 174.77 3i57 s ILE 72 N 1.30 3.64 0.22 2.22 1.01 0.13 -0.42 121.20 129.31 3i57 s ILE 72 Ca -0.03 -0.47 0.11 0.00 0.00 0.00 0.00 60.65 60.26 3i57 s ILE 72 Cb -0.17 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 3i57 s ILE 72 CO -0.08 0.54 -0.16 -0.36 0.00 0.00 0.00 174.94 174.88 3i57 s PHE 73 N -0.05 2.44 0.56 3.97 0.08 0.09 -0.51 117.98 124.56 3i57 s PHE 73 Ca 0.00 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.80 3i57 s PHE 73 Cb -0.13 -1.15 0.04 0.00 -0.57 0.00 0.00 43.02 41.21 3i57 s PHE 73 CO 0.03 0.58 0.35 1.63 -0.10 0.00 0.00 175.22 177.71 3i57 n LYS 74 N -0.20 0.67 -3.23 0.44 5.02 0.23 -0.47 118.16 120.62 3i57 n LYS 74 Ca -0.09 -3.59 -0.39 0.00 -2.02 0.00 0.00 58.31 52.22 3i57 n LYS 74 Cb 0.57 0.48 -0.06 0.00 -0.02 0.00 0.00 35.03 36.01 3i57 n LYS 74 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i57 s HIS 75 N -2.83 3.45 0.25 2.13 3.76 -1.26 -0.72 115.29 120.07 3i57 s HIS 75 Ca 0.27 0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 55.78 3i57 s HIS 75 Cb -0.02 -2.66 -0.10 0.00 1.11 0.00 0.00 32.58 30.91 3i57 s HIS 75 CO 0.17 0.01 1.37 -1.58 -0.85 0.00 0.00 174.74 173.86 3i57 s HIS 76 N 1.20 3.11 0.14 1.40 2.46 -0.18 -4.78 115.29 118.64 3i57 s HIS 76 Ca 0.27 1.18 0.09 0.00 0.47 0.00 0.00 55.06 57.07 3i57 s HIS 76 Cb -0.16 -3.71 -0.04 0.00 -0.13 0.00 0.00 32.58 28.54 3i57 s HIS 76 CO 0.11 -2.22 -0.20 1.03 -2.47 0.00 0.00 174.74 170.99 3i57 s ARG 77 N -0.63 1.24 -0.05 2.88 0.52 -1.26 -0.74 118.95 120.91 3i57 s ARG 77 Ca 0.56 -1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 54.41 3i57 s ARG 77 Cb -0.40 -1.44 0.01 0.00 0.52 0.00 0.00 34.95 33.65 3i57 s ARG 77 CO 0.44 0.32 0.13 -1.83 0.02 0.00 0.00 175.30 174.38 3i57 s GLU 78 N -2.36 0.15 0.21 3.54 -1.05 -0.72 -4.97 118.70 113.50 3i57 s GLU 78 Ca 0.12 0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.83 3i57 s GLU 78 Cb -0.08 0.07 -0.09 0.00 -0.44 0.00 0.00 34.13 33.59 3i57 s GLU 78 CO 0.06 -0.02 1.24 -0.80 0.95 0.00 0.00 175.26 176.69 3i57 s ASN 79 N 0.10 7.00 0.24 0.83 0.01 -1.26 -0.48 114.94 121.37 3i57 s ASN 79 Ca -0.00 2.33 0.09 0.00 -0.71 0.00 0.00 52.86 54.57 3i57 s ASN 79 Cb -0.01 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 3i57 s ASN 79 CO 0.00 -0.43 -0.15 0.68 -1.51 0.00 0.00 177.10 175.69 3i57 s VAL 80 N -0.13 1.98 0.69 1.60 -7.23 0.28 -4.89 120.40 112.70 3i57 s VAL 80 Ca 0.54 -2.26 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 3i57 s VAL 80 Cb -0.35 -2.19 0.04 0.00 0.56 0.00 0.00 36.38 34.44 3i57 s VAL 80 CO 0.39 -0.49 1.03 -1.81 -0.31 0.00 0.00 175.10 173.91 3i57 s ASP 81 N -3.40 5.15 0.41 4.85 1.01 -1.26 -2.35 116.67 121.08 3i57 s ASP 81 Ca 0.26 0.75 0.28 0.00 0.71 0.00 0.00 52.55 54.55 3i57 s ASP 81 Cb -0.01 -1.51 1.50 0.00 1.01 0.00 0.00 42.92 43.91 3i57 s ASP 81 CO 0.10 -1.43 1.86 -0.65 0.21 0.00 0.00 175.17 175.26 3i57 h PRO 82 N -0.56 0.00 -0.06 8.23 0.11 -1.87 -2.10 132.00 135.75 3i57 h PRO 82 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i57 h PRO 82 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i57 h PRO 82 CO 0.62 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.50 3i57 n ASN 83 N -2.49 1.68 -4.77 -2.05 4.13 -1.26 -3.34 115.26 107.16 3i57 n ASN 83 Ca -0.02 -1.59 -0.38 0.00 1.68 0.00 0.00 54.58 54.27 3i57 n ASN 83 Cb 0.06 -0.03 -0.05 0.00 -1.54 0.00 0.00 39.78 38.22 3i57 n ASN 83 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3i57 s HIS 84 N -1.94 3.52 0.63 3.10 2.46 -0.79 -4.99 115.29 117.28 3i57 s HIS 84 Ca 0.36 1.72 -0.10 0.00 0.47 0.00 0.00 55.06 57.52 3i57 s HIS 84 Cb 0.20 -3.10 -0.01 0.00 -0.13 0.00 0.00 32.58 29.54 3i57 s HIS 84 CO 0.32 -0.29 1.00 -1.54 -2.47 0.00 0.00 174.74 171.75 3i57 s SER 85 N -1.37 5.82 -0.00 9.88 1.04 -1.26 -4.50 113.70 123.31 3i57 s SER 85 Ca 0.51 1.12 0.01 0.00 0.48 0.00 0.00 55.95 58.07 3i57 s SER 85 Cb -0.24 -2.10 -0.00 0.00 0.10 0.00 0.00 66.02 63.78 3i57 s SER 85 CO 0.30 -1.05 -0.03 -0.55 0.98 0.00 0.00 173.24 172.89 3i57 s SER 86 N -4.26 0.42 0.60 7.02 0.15 -1.26 -4.71 113.70 111.66 3i57 s SER 86 Ca 0.55 -0.06 0.36 0.00 0.70 0.00 0.00 55.95 57.50 3i57 s SER 86 Cb -0.11 -0.06 1.92 0.00 -1.71 0.00 0.00 66.02 66.07 3i57 s SER 86 CO 0.50 0.04 2.22 0.00 1.20 0.00 0.00 173.24 177.20 3i57 h ALA 87 N 6.13 1.15 -0.42 5.45 0.00 -1.39 0.13 119.26 130.30 3i57 h ALA 87 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i57 h ALA 87 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i57 h ALA 87 CO 0.50 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 3i57 n ASP 88 N -3.34 2.29 0.00 0.00 5.75 -1.26 -4.94 116.55 115.06 3i57 n ASP 88 Ca -0.02 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 3i57 n ASP 88 Cb 0.15 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3i57 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i57 n GLY 89 N 1.16 0.47 3.81 6.12 0.00 0.45 -5.02 105.19 112.18 3i57 n GLY 89 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3i57 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i57 s THR 90 N -2.24 3.96 0.23 2.61 -4.23 -1.26 -4.93 115.64 109.79 3i57 s THR 90 Ca 0.00 0.82 0.09 0.00 -1.18 0.00 0.00 61.69 61.43 3i57 s THR 90 Cb 0.00 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 3i57 s THR 90 CO 0.00 -0.65 -0.16 -0.54 -0.54 0.00 0.00 174.62 172.73 3i57 s LYS 91 N -4.42 1.45 0.00 3.99 1.02 -1.26 -4.06 119.74 116.46 3i57 s LYS 91 Ca 0.61 -1.66 0.13 0.00 0.02 0.00 0.00 55.97 55.08 3i57 s LYS 91 Cb -0.15 -1.33 0.49 0.00 -0.52 0.00 0.00 37.83 36.31 3i57 s LYS 91 CO 0.43 0.23 1.36 0.41 -0.92 0.00 0.00 175.35 176.86 3i57 n GLY 92 N -0.47 0.18 3.12 -3.33 0.00 -1.21 -4.92 105.19 98.57 3i57 n GLY 92 Ca -0.07 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 3i57 n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i57 s THR 93 N -1.71 0.68 -0.05 2.61 -4.23 -1.26 -0.34 115.64 111.34 3i57 s THR 93 Ca 0.24 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.18 3i57 s THR 93 Cb 0.12 -1.08 0.02 0.00 1.34 0.00 0.00 72.50 72.91 3i57 s THR 93 CO 0.18 -0.55 0.30 -1.59 -0.54 0.00 0.00 174.62 172.42 3i57 s LYS 94 N -2.47 0.55 -0.12 3.99 -2.85 -0.64 -4.97 119.74 113.23 3i57 s LYS 94 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 55.97 55.00 3i57 s LYS 94 Cb -0.04 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 35.99 3i57 s LYS 94 CO -0.01 -0.13 -0.20 0.99 0.10 0.00 0.00 175.35 176.10 3i57 s THR 95 N -0.83 1.87 0.15 3.79 2.01 -1.26 -0.35 115.64 121.02 3i57 s THR 95 Ca -0.09 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.09 3i57 s THR 95 Cb -0.04 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3i57 s THR 95 CO 0.03 0.51 0.03 -0.76 -0.69 0.00 0.00 174.62 173.75 3i57 s LEU 96 N 0.76 3.48 -0.09 4.42 1.43 0.74 -4.95 118.68 124.47 3i57 s LEU 96 Ca -0.10 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3i57 s LEU 96 Cb -0.16 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3i57 s LEU 96 CO 0.00 0.10 -0.21 -0.89 0.23 0.00 0.00 176.35 175.59 3i57 s THR 97 N -1.64 1.84 -0.10 5.49 2.01 -1.26 -1.19 115.64 120.79 3i57 s THR 97 Ca 0.28 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 3i57 s THR 97 Cb -0.10 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 3i57 s THR 97 CO 0.20 0.51 0.34 -0.70 -0.69 0.00 0.00 174.62 174.28 3i57 s GLU 98 N 0.37 4.05 -0.11 4.92 2.12 0.18 -3.30 118.70 126.93 3i57 s GLU 98 Ca -0.17 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.41 3i57 s GLU 98 Cb -0.17 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.90 3i57 s GLU 98 CO 0.07 0.45 -0.18 0.99 -0.54 0.00 0.00 175.26 176.05 3i57 s THR 99 N -0.22 1.67 -0.20 -1.70 2.01 -0.17 -1.60 115.64 115.43 3i57 s THR 99 Ca 0.20 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 3i57 s THR 99 Cb -0.14 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.87 3i57 s THR 99 CO 0.08 0.47 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.68 3i57 s VAL 100 N 0.82 2.83 0.31 3.82 1.01 -0.28 -1.09 120.40 127.82 3i57 s VAL 100 Ca -0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3i57 s VAL 100 Cb -0.16 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3i57 s VAL 100 CO 0.01 0.48 0.59 -1.00 0.00 0.00 0.00 175.10 175.17 3i57 s HIS 101 N 1.32 3.48 -0.13 5.22 3.76 -0.11 -1.99 115.29 126.83 3i57 s HIS 101 Ca 0.04 0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 55.64 3i57 s HIS 101 Cb -0.14 -2.15 0.03 0.00 1.11 0.00 0.00 32.58 31.43 3i57 s HIS 101 CO -0.06 0.12 -0.05 0.71 -0.85 0.00 0.00 174.74 174.61 3i57 s TYR 102 N -2.15 1.42 0.06 1.40 2.02 -1.26 -0.86 117.35 117.99 3i57 s TYR 102 Ca 0.45 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3i57 s TYR 102 Cb -0.11 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 3i57 s TYR 102 CO 0.31 -0.53 -0.05 0.15 -1.57 0.00 0.00 175.55 173.86 3i57 s LYS 103 N 1.73 0.65 0.82 -0.62 1.02 -0.61 -0.26 119.74 122.47 3i57 s LYS 103 Ca 0.03 -1.17 -0.06 0.00 0.02 0.00 0.00 55.97 54.79 3i57 s LYS 103 Cb -0.14 0.03 0.16 0.00 -0.52 0.00 0.00 37.83 37.36 3i57 s LYS 103 CO -0.08 -0.06 1.12 0.71 -0.92 0.00 0.00 175.35 176.13 3i57 s TYR 104 N -3.40 1.44 0.57 3.18 2.02 0.68 -0.49 117.35 121.36 3i57 s TYR 104 Ca 0.05 -0.12 0.25 0.00 -0.37 0.00 0.00 57.07 56.89 3i57 s TYR 104 Cb 0.04 -3.40 1.65 0.00 -0.40 0.00 0.00 41.96 39.84 3i57 s TYR 104 CO -0.07 -2.11 2.22 0.00 -1.57 0.00 0.00 175.55 174.02 3i57 h ALA 105 N -0.96 1.67 -0.24 3.71 0.00 -1.88 -2.33 119.26 119.23 3i57 h ALA 105 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i57 h ALA 105 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i57 h ALA 105 CO 0.38 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.90 3i57 n ASN 106 N -4.06 1.87 0.00 0.00 6.94 -1.26 -4.87 115.26 113.88 3i57 n ASN 106 Ca -0.03 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 3i57 n ASN 106 Cb 0.09 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 3i57 n ASN 106 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i57 n GLY 107 N 1.14 0.75 3.81 4.83 0.00 -0.88 -5.05 105.19 109.79 3i57 n GLY 107 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3i57 n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i57 s THR 108 N -2.71 3.90 0.09 2.61 -4.23 -1.26 -4.78 115.64 109.25 3i57 s THR 108 Ca 0.00 0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 61.12 3i57 s THR 108 Cb 0.00 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 3i57 s THR 108 CO 0.00 -0.52 1.03 -0.75 -0.54 0.00 0.00 174.62 173.84 3i57 s LYS 109 N -4.05 4.60 -0.19 3.99 2.20 -1.26 -0.23 119.74 124.80 3i57 s LYS 109 Ca 0.63 1.55 0.11 0.00 -0.36 0.00 0.00 55.97 57.90 3i57 s LYS 109 Cb -0.15 -3.37 -0.19 0.00 -1.51 0.00 0.00 37.83 32.61 3i57 s LYS 109 CO 0.36 0.04 -0.02 0.00 -0.36 0.00 0.00 175.35 175.36 3i57 n ALA 110 N 3.17 1.56 -3.64 3.13 0.00 0.65 -4.77 120.51 120.61 3i57 n ALA 110 Ca 0.04 -1.07 -0.09 0.00 0.00 0.00 0.00 53.44 52.32 3i57 n ALA 110 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 3i57 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i57 s ALA 111 N -2.42 -1.24 0.42 0.00 0.00 -1.18 -4.98 121.76 112.36 3i57 s ALA 111 Ca -0.16 -0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3i57 s ALA 111 Cb 0.06 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.96 3i57 s ALA 111 CO 0.64 -0.93 1.05 -1.21 0.00 0.00 0.00 175.76 175.31 3i57 s GLU 112 N -3.87 4.07 0.51 0.00 0.41 -1.26 -4.25 118.70 114.32 3i57 s GLU 112 Ca 0.09 1.48 -0.20 0.00 -0.41 0.00 0.00 54.97 55.92 3i57 s GLU 112 Cb -0.04 -2.43 -0.09 0.00 -1.78 0.00 0.00 34.13 29.79 3i57 s GLU 112 CO 0.00 -0.21 0.68 -0.25 -0.49 0.00 0.00 175.26 175.00 3i57 n ASP 113 N -0.29 -0.31 -4.48 -0.19 8.00 -1.26 -4.79 116.55 113.23 3i57 n ASP 113 Ca 0.06 0.84 -0.30 0.00 0.71 0.00 0.00 54.79 56.11 3i57 n ASP 113 Cb 0.50 -1.22 -0.12 0.00 -0.02 0.00 0.00 41.12 40.26 3i57 n ASP 113 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3i57 s GLN 114 N -2.05 1.84 0.17 -1.24 -0.21 -0.84 -4.98 119.66 112.34 3i57 s GLN 114 Ca 0.67 -1.14 0.04 0.00 0.02 0.00 0.00 55.36 54.96 3i57 s GLN 114 Cb -0.50 -2.13 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 3i57 s GLN 114 CO 0.55 0.49 -0.08 0.95 -2.12 0.00 0.00 175.29 175.08 3i57 s THR 115 N -1.10 1.16 0.12 -0.19 -4.23 -1.26 -1.13 115.64 109.02 3i57 s THR 115 Ca 0.17 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.50 3i57 s THR 115 Cb -0.11 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.75 3i57 s THR 115 CO 0.09 -0.62 0.31 0.00 -0.54 0.00 0.00 174.62 173.86 3i57 s ALA 116 N -3.34 -0.51 0.05 3.99 0.00 -0.63 -4.96 121.76 116.37 3i57 s ALA 116 Ca 0.20 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.79 3i57 s ALA 116 Cb 0.03 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 3i57 s ALA 116 CO 0.03 -0.60 -0.12 -0.65 0.00 0.00 0.00 175.76 174.42 3i57 s GLN 117 N -3.86 0.78 0.10 0.00 -0.21 -1.26 0.48 119.66 115.69 3i57 s GLN 117 Ca 0.06 -0.79 0.06 0.00 0.02 0.00 0.00 55.36 54.72 3i57 s GLN 117 Cb 0.03 -0.73 -0.03 0.00 1.00 0.00 0.00 33.01 33.27 3i57 s GLN 117 CO -0.09 0.17 -0.16 0.14 -2.12 0.00 0.00 175.29 173.23 3i57 s VAL 118 N -1.05 1.38 -0.06 1.09 -7.23 -0.33 -4.73 120.40 109.48 3i57 s VAL 118 Ca -0.02 -1.55 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 3i57 s VAL 118 Cb -0.09 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3i57 s VAL 118 CO 0.01 -0.26 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.49 3i57 s THR 119 N -1.61 1.41 0.17 5.32 2.01 -1.26 -0.18 115.64 121.50 3i57 s THR 119 Ca 0.05 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.44 3i57 s THR 119 Cb -0.08 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 3i57 s THR 119 CO 0.03 0.41 0.05 -0.36 -0.69 0.00 0.00 174.62 174.06 3i57 s PHE 120 N 0.26 2.96 0.14 4.92 0.08 0.52 -4.95 117.98 121.91 3i57 s PHE 120 Ca -0.09 -0.09 0.06 0.00 0.12 0.00 0.00 56.93 56.93 3i57 s PHE 120 Cb -0.14 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3i57 s PHE 120 CO 0.03 0.52 -0.13 0.95 -0.10 0.00 0.00 175.22 176.49 3i57 s THR 121 N -1.73 1.34 -0.12 0.64 -4.23 -1.26 -1.62 115.64 108.65 3i57 s THR 121 Ca 0.29 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3i57 s THR 121 Cb -0.10 -1.70 0.04 0.00 1.34 0.00 0.00 72.50 72.08 3i57 s THR 121 CO 0.20 -0.55 0.33 0.00 -0.54 0.00 0.00 174.62 174.06 3i57 s ARG 122 N -3.15 0.37 0.69 3.99 1.70 0.54 0.29 118.95 123.38 3i57 s ARG 122 Ca 0.13 0.49 -0.08 0.00 -0.47 0.00 0.00 55.73 55.80 3i57 s ARG 122 Cb -0.02 0.14 0.04 0.00 -0.57 0.00 0.00 34.95 34.54 3i57 s ARG 122 CO 0.03 -0.07 1.02 -0.80 -1.08 0.00 0.00 175.30 174.40 3i57 s ASN 123 N 0.37 5.07 0.34 -2.89 0.01 -1.26 -3.79 114.94 112.78 3i57 s ASN 123 Ca -0.02 0.66 -0.04 0.00 -0.71 0.00 0.00 52.86 52.75 3i57 s ASN 123 Cb -0.03 -1.40 0.02 0.00 0.41 0.00 0.00 41.25 40.24 3i57 s ASN 123 CO -0.01 -1.46 0.52 0.61 -1.51 0.00 0.00 177.10 175.25 3i57 n GLY 124 N -2.90 1.92 2.99 0.66 0.00 -0.99 -0.21 105.19 106.66 3i57 n GLY 124 Ca 0.07 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 3i57 n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i57 s VAL 125 N -2.66 1.34 -0.03 1.61 1.01 -0.34 -0.55 120.40 120.76 3i57 s VAL 125 Ca 0.25 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3i57 s VAL 125 Cb -0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3i57 s VAL 125 CO 0.18 0.42 0.59 -0.22 0.00 0.00 0.00 175.10 176.07 3i57 s LEU 126 N 1.42 4.37 -0.40 3.92 2.96 0.36 -0.65 118.68 130.67 3i57 s LEU 126 Ca 0.02 1.11 -0.19 0.00 -0.22 0.00 0.00 54.13 54.84 3i57 s LEU 126 Cb -0.13 -2.91 0.01 0.00 0.50 0.00 0.00 46.19 43.66 3i57 s LEU 126 CO -0.07 0.05 0.55 -0.62 -1.32 0.00 0.00 176.35 174.94 3i57 s ASP 127 N 0.13 6.30 0.57 3.68 -1.08 -0.37 -1.76 116.67 124.14 3i57 s ASP 127 Ca 0.31 -0.25 0.34 0.00 -0.52 0.00 0.00 52.55 52.43 3i57 s ASP 127 Cb -0.18 -2.28 1.72 0.00 -1.46 0.00 0.00 42.92 40.73 3i57 s ASP 127 CO 0.16 -0.61 2.14 0.44 0.52 0.00 0.00 175.17 177.82 3i57 h ASP 128 N 8.66 0.00 0.04 -0.34 3.32 -1.18 0.92 116.42 127.84 3i57 h ASP 128 Ca -0.27 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.60 3i57 h ASP 128 Cb 1.11 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.68 3i57 h ASP 128 CO 0.82 0.05 -0.73 0.58 -1.72 0.00 0.00 179.24 178.24 3i57 h VAL 129 N 0.00 1.42 0.00 -1.35 2.07 -1.74 -3.37 116.25 113.28 3i57 h VAL 129 Ca -0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3i57 h VAL 129 Cb 0.28 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3i57 h VAL 129 CO 0.01 0.65 -1.39 0.35 0.02 0.00 0.00 177.57 177.20 3i57 n THR 130 N -4.14 0.30 -0.93 2.57 -2.24 -1.14 -4.94 114.28 103.77 3i57 n THR 130 Ca -0.11 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3i57 n THR 130 Cb 0.75 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3i57 n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i57 n GLY 131 N 1.25 0.62 3.76 3.38 0.00 0.31 -4.78 105.19 109.73 3i57 n GLY 131 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3i57 n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i57 s ILE 132 N -2.72 5.15 -0.16 -0.61 1.01 -1.23 -1.04 121.20 121.59 3i57 s ILE 132 Ca 0.00 0.84 -0.17 0.00 0.00 0.00 0.00 60.65 61.32 3i57 s ILE 132 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3i57 s ILE 132 CO 0.00 0.43 0.45 -0.69 0.00 0.00 0.00 174.94 175.13 3i57 s VAL 133 N -0.02 5.19 -0.53 2.92 1.01 -1.26 -1.24 120.40 126.47 3i57 s VAL 133 Ca 0.23 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 3i57 s VAL 133 Cb -0.15 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3i57 s VAL 133 CO 0.10 0.28 1.03 0.00 0.00 0.00 0.00 175.10 176.51 3i57 s ALA 134 N 1.00 3.13 0.18 5.51 0.00 0.18 -4.89 121.76 126.87 3i57 s ALA 134 Ca 0.23 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 3i57 s ALA 134 Cb -0.15 -3.81 -0.08 0.00 0.00 0.00 0.00 23.12 19.08 3i57 s ALA 134 CO 0.09 -2.37 0.92 -1.58 0.00 0.00 0.00 175.76 172.81 3i57 s TRP 135 N 4.23 3.91 0.00 0.00 0.52 -1.26 -1.20 118.94 125.14 3i57 s TRP 135 Ca 0.37 1.83 0.00 0.00 0.02 0.00 0.00 56.10 58.32 3i57 s TRP 135 Cb -0.10 -2.97 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 3i57 s TRP 135 CO 0.24 0.38 0.00 0.41 0.02 0.00 0.00 176.95 178.00 3i57 n GLY 136 N 1.77 -0.16 3.75 0.98 0.00 0.71 -4.96 105.19 107.28 3i57 n GLY 136 Ca -0.01 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 3i57 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i57 s LYS 137 N -1.03 2.75 0.25 1.61 1.02 -1.26 -4.77 119.74 118.31 3i57 s LYS 137 Ca 0.00 1.72 -0.31 0.00 0.02 0.00 0.00 55.97 57.40 3i57 s LYS 137 Cb 0.00 -1.91 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 3i57 s LYS 137 CO 0.00 -1.35 1.66 0.91 -0.92 0.00 0.00 175.35 175.65 3i57 n TRP 138 N -2.00 2.78 0.13 3.18 7.02 -1.26 -4.42 117.44 122.87 3i57 n TRP 138 Ca 0.13 0.15 -0.01 0.00 -1.02 0.00 0.00 57.50 56.75 3i57 n TRP 138 Cb 0.50 -2.63 0.25 0.00 -2.42 0.00 0.00 31.31 27.01 3i57 n TRP 138 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3i57 h ASN 139 N 5.79 0.14 -3.37 -0.99 -0.26 -0.52 -3.42 115.58 112.95 3i57 h ASN 139 Ca -0.45 -0.06 -0.64 0.00 -0.56 0.00 0.00 56.30 54.59 3i57 h ASN 139 Cb 1.22 -0.04 -0.21 0.00 -1.06 0.00 0.00 38.32 38.22 3i57 h ASN 139 CO 0.88 0.56 -0.65 -1.61 -1.06 0.00 0.00 177.43 175.55 3i57 s GLU 140 N -4.06 3.70 0.26 0.81 8.01 -1.26 -4.98 118.70 121.17 3i57 s GLU 140 Ca -0.03 -0.49 0.11 0.00 0.01 0.00 0.00 54.97 54.57 3i57 s GLU 140 Cb 0.14 -3.04 0.29 0.00 -4.31 0.00 0.00 34.13 27.20 3i57 s GLU 140 CO 0.76 0.14 1.56 0.00 0.01 0.00 0.00 175.26 177.73 3i57 h ALA 141 N 7.07 0.84 -2.84 5.21 0.00 -1.96 -3.39 119.26 124.20 3i57 h ALA 141 Ca -0.34 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 53.94 3i57 h ALA 141 Cb 1.18 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 3i57 h ALA 141 CO 0.63 0.81 0.02 -1.54 0.00 0.00 0.00 179.25 179.17 3i57 s SER 142 N -6.73 -0.33 0.01 0.00 1.04 -1.26 -1.19 113.70 105.23 3i57 s SER 142 Ca -0.00 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.21 3i57 s SER 142 Cb 0.12 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3i57 s SER 142 CO 0.76 -0.91 -0.10 -1.10 0.98 0.00 0.00 173.24 172.87 3i57 s GLN 143 N -3.80 0.75 -0.07 4.02 -1.52 -0.17 -4.97 119.66 113.90 3i57 s GLN 143 Ca 0.03 -0.44 -0.08 0.00 -1.95 0.00 0.00 55.36 52.92 3i57 s GLN 143 Cb 0.01 -0.71 -0.04 0.00 -0.22 0.00 0.00 33.01 32.04 3i57 s GLN 143 CO -0.11 0.19 0.22 -1.54 -0.25 0.00 0.00 175.29 173.80 3i57 s SER 144 N -0.51 6.50 0.49 5.90 1.04 -1.26 -0.90 113.70 124.96 3i57 s SER 144 Ca 0.02 0.58 -0.18 0.00 0.48 0.00 0.00 55.95 56.86 3i57 s SER 144 Cb -0.05 -2.11 -0.09 0.00 0.10 0.00 0.00 66.02 63.88 3i57 s SER 144 CO 0.00 0.36 0.97 -0.31 0.98 0.00 0.00 173.24 175.23 3i57 s TYR 145 N -1.11 3.41 0.48 5.02 2.02 -0.33 -4.89 117.35 121.96 3i57 s TYR 145 Ca 0.20 1.49 -0.23 0.00 -0.37 0.00 0.00 57.07 58.16 3i57 s TYR 145 Cb -0.13 -2.80 -0.08 0.00 -0.40 0.00 0.00 41.96 38.55 3i57 s TYR 145 CO 0.09 -0.29 1.21 1.17 -1.57 0.00 0.00 175.55 176.16 3i57 n LYS 146 N -1.30 1.63 -1.86 -0.62 4.81 -1.26 -4.61 118.16 114.94 3i57 n LYS 146 Ca 0.07 0.59 -0.42 0.00 -0.87 0.00 0.00 58.31 57.68 3i57 n LYS 146 Cb 0.54 -2.35 -0.02 0.00 0.02 0.00 0.00 35.03 33.22 3i57 n LYS 146 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i57 s ALA 147 N -1.28 3.74 -0.24 3.14 0.00 -1.26 -4.84 121.76 121.02 3i57 s ALA 147 Ca 0.66 1.48 -0.05 0.00 0.00 0.00 0.00 51.96 54.05 3i57 s ALA 147 Cb -0.48 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.01 3i57 s ALA 147 CO 0.54 -0.88 -0.01 -0.51 0.00 0.00 0.00 175.76 174.90 3i57 s LEU 148 N -0.06 3.13 -0.18 0.00 1.43 -0.45 -4.93 118.68 117.61 3i57 s LEU 148 Ca 0.64 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 53.11 3i57 s LEU 148 Cb -0.46 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3i57 s LEU 148 CO 0.43 -0.05 0.63 -0.89 0.23 0.00 0.00 176.35 176.69 3i57 s THR 149 N 1.50 5.03 0.31 5.49 2.01 -1.26 -0.16 115.64 128.56 3i57 s THR 149 Ca 0.05 1.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.95 3i57 s THR 149 Cb -0.15 -3.94 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 3i57 s THR 149 CO -0.01 0.14 1.31 -0.44 -0.69 0.00 0.00 174.62 174.93 3i57 s SER 150 N 1.13 6.79 0.71 3.53 0.01 -0.01 -4.97 113.70 120.89 3i57 s SER 150 Ca 0.29 2.64 -0.15 0.00 1.31 0.00 0.00 55.95 60.05 3i57 s SER 150 Cb -0.16 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.46 3i57 s SER 150 CO 0.11 -0.54 1.17 -2.16 0.41 0.00 0.00 173.24 172.24 3i57 s PRO 151 N -1.47 2.34 -0.18 12.44 0.04 -1.26 -4.97 135.00 141.93 3i57 s PRO 151 Ca 0.51 1.64 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 3i57 s PRO 151 Cb -0.39 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3i57 s PRO 151 CO 0.50 -1.66 0.63 0.99 0.04 0.00 0.00 177.00 177.50 3i57 s THR 152 N -2.11 5.03 -0.21 1.26 2.01 -1.26 -4.87 115.64 115.50 3i57 s THR 152 Ca 0.72 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.94 3i57 s THR 152 Cb -0.26 -3.95 0.04 0.00 0.01 0.00 0.00 72.50 68.34 3i57 s THR 152 CO 0.44 0.14 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.74 3i57 s ILE 153 N 1.72 1.93 0.12 1.82 1.01 -1.26 -5.09 121.20 121.46 3i57 s ILE 153 Ca 0.30 -1.15 -0.35 0.00 0.00 0.00 0.00 60.65 59.44 3i57 s ILE 153 Cb -0.16 -1.91 -0.16 0.00 0.01 0.00 0.00 42.46 40.24 3i57 s ILE 153 CO 0.11 0.25 1.41 0.00 0.00 0.00 0.00 174.94 176.71 3i57 n ALA 154 N 4.59 -0.15 -0.37 9.38 0.00 -1.26 -1.44 120.51 131.27 3i57 n ALA 154 Ca -0.17 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3i57 n ALA 154 Cb 0.47 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3i57 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i57 n GLY 155 N 2.76 0.73 3.12 0.00 0.00 -1.26 -5.03 105.19 105.51 3i57 n GLY 155 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3i57 n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i57 s TYR 156 N -2.76 0.68 -0.04 1.61 2.02 -0.52 -1.57 117.35 116.77 3i57 s TYR 156 Ca 0.00 -0.94 0.03 0.00 -0.37 0.00 0.00 57.07 55.78 3i57 s TYR 156 Cb 0.00 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.13 3i57 s TYR 156 CO 0.00 -0.25 -0.12 0.00 -1.57 0.00 0.00 175.55 173.61 3i57 s ALA 157 N -3.54 1.13 0.51 3.71 0.00 -0.60 -4.53 121.76 118.44 3i57 s ALA 157 Ca 0.07 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 3i57 s ALA 157 Cb 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 3i57 s ALA 157 CO -0.07 0.16 1.02 -1.25 0.00 0.00 0.00 175.76 175.62 3i57 s PRO 158 N 0.34 3.76 0.45 0.00 0.04 -1.26 -1.69 135.00 136.63 3i57 s PRO 158 Ca -0.07 1.22 0.20 0.00 0.04 0.00 0.00 61.00 62.40 3i57 s PRO 158 Cb -0.12 -2.10 1.05 0.00 0.04 0.00 0.00 34.50 33.38 3i57 s PRO 158 CO 0.02 -0.45 1.93 0.66 0.04 0.00 0.00 177.00 179.20 3i57 h SER 159 N 1.22 0.00 -3.14 6.66 4.64 -1.11 -3.40 113.55 118.42 3i57 h SER 159 Ca -0.48 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.55 3i57 h SER 159 Cb 1.21 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.95 3i57 h SER 159 CO 0.59 0.24 -0.64 -0.70 -0.87 0.00 0.00 176.83 175.46 3i57 s GLU 160 N -4.13 0.04 0.11 4.77 2.12 -1.26 -4.99 118.70 115.35 3i57 s GLU 160 Ca -0.02 0.53 -0.12 0.00 0.36 0.00 0.00 54.97 55.72 3i57 s GLU 160 Cb 0.13 -0.27 -0.14 0.00 0.26 0.00 0.00 34.13 34.11 3i57 s GLU 160 CO 0.65 -0.29 1.32 0.00 -0.54 0.00 0.00 175.26 176.40 3i57 h ALA 161 N 8.22 0.33 -3.30 6.30 0.00 -1.95 -3.42 119.26 125.45 3i57 h ALA 161 Ca -0.17 -0.60 -0.42 0.00 0.00 0.00 0.00 54.91 53.72 3i57 h ALA 161 Cb 1.12 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.52 3i57 h ALA 161 CO 0.18 0.69 -0.76 0.08 0.00 0.00 0.00 179.25 179.43 3i57 s VAL 162 N -3.75 0.34 -0.36 0.00 1.01 -1.26 -0.83 120.40 115.55 3i57 s VAL 162 Ca -0.10 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 3i57 s VAL 162 Cb 0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 3i57 s VAL 162 CO 0.90 0.24 0.41 -0.69 0.00 0.00 0.00 175.10 175.97 3i57 s VAL 163 N 1.80 5.12 -0.21 2.92 1.01 0.77 -4.90 120.40 126.91 3i57 s VAL 163 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3i57 s VAL 163 Cb -0.13 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3i57 s VAL 163 CO -0.04 -0.20 -0.16 -0.54 0.00 0.00 0.00 175.10 174.17 3i57 s LYS 164 N 2.13 2.78 0.22 2.72 1.02 -1.26 -1.34 119.74 126.00 3i57 s LYS 164 Ca 0.13 -0.98 -0.00 0.00 0.02 0.00 0.00 55.97 55.14 3i57 s LYS 164 Cb -0.16 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 3i57 s LYS 164 CO 0.12 -0.33 0.13 1.03 -0.92 0.00 0.00 175.35 175.38 3i57 s ARG 165 N 1.25 1.27 0.12 1.68 1.81 -1.26 -5.06 118.95 118.76 3i57 s ARG 165 Ca 0.01 -1.68 0.02 0.00 -1.72 0.00 0.00 55.73 52.36 3i57 s ARG 165 Cb -0.15 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 3i57 s ARG 165 CO -0.10 -0.37 -0.06 -1.12 -0.68 0.00 0.00 175.30 172.97 3i57 s SER 166 N -3.21 1.26 0.07 0.23 0.01 -1.26 -1.18 113.70 109.62 3i57 s SER 166 Ca 0.39 -1.03 0.09 0.00 1.31 0.00 0.00 55.95 56.71 3i57 s SER 166 Cb 0.07 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 3i57 s SER 166 CO 0.13 -0.46 -0.25 -0.44 0.41 0.00 0.00 173.24 172.63 3i57 s SER 167 N -3.08 3.04 0.46 2.44 0.01 -0.08 -4.92 113.70 111.57 3i57 s SER 167 Ca 0.15 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.67 3i57 s SER 167 Cb 0.05 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.98 3i57 s SER 167 CO -0.02 0.21 0.84 0.20 0.41 0.00 0.00 173.24 174.87 3i57 s ASN 168 N -1.51 6.47 0.29 2.44 0.01 -1.26 -1.00 114.94 120.38 3i57 s ASN 168 Ca 0.11 1.20 0.25 0.00 -0.71 0.00 0.00 52.86 53.71 3i57 s ASN 168 Cb -0.10 -2.36 1.02 0.00 0.41 0.00 0.00 41.25 40.22 3i57 s ASN 168 CO 0.03 -0.51 1.74 0.77 -1.51 0.00 0.00 177.10 177.63 3i57 h SER 169 N 0.86 0.00 0.70 -1.22 4.64 -1.35 -2.06 113.55 115.12 3i57 h SER 169 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i57 h SER 169 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3i57 h SER 169 CO 0.63 0.00 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.64 3i57 n ASP 170 N -2.34 0.10 -4.76 4.97 5.75 -1.26 -4.89 116.55 114.12 3i57 n ASP 170 Ca 0.02 0.03 -0.40 0.00 -0.01 0.00 0.00 54.79 54.43 3i57 n ASP 170 Cb 0.25 -0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 3i57 n ASP 170 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i57 s ALA 171 N -2.75 3.41 -0.16 2.12 0.00 -0.78 -4.94 121.76 118.68 3i57 s ALA 171 Ca 0.22 0.90 0.21 0.00 0.00 0.00 0.00 51.96 53.29 3i57 s ALA 171 Cb 0.20 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.85 3i57 s ALA 171 CO 0.50 -0.18 0.80 -1.91 0.00 0.00 0.00 175.76 174.98 3i57 n GLU 172 N 1.28 0.63 -4.02 0.00 4.07 -1.26 -4.92 120.64 116.42 3i57 n GLU 172 Ca -0.01 0.05 -0.08 0.00 -0.06 0.00 0.00 57.16 57.06 3i57 n GLU 172 Cb 0.45 -1.73 -0.10 0.00 -0.06 0.00 0.00 31.44 30.00 3i57 n GLU 172 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 3i57 s GLN 173 N -3.28 0.48 1.05 5.31 -2.07 -1.26 -4.99 119.66 114.90 3i57 s GLN 173 Ca -0.03 -0.88 -0.17 0.00 -1.82 0.00 0.00 55.36 52.46 3i57 s GLN 173 Cb 0.10 0.17 0.23 0.00 -1.09 0.00 0.00 33.01 32.42 3i57 s GLN 173 CO 0.83 -0.09 1.21 0.20 -1.32 0.00 0.00 175.29 176.11 3i57 s GLY 174 N -2.16 1.67 0.49 2.60 0.00 -1.21 -4.93 107.32 103.78 3i57 s GLY 174 Ca -0.05 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.51 3i57 s GLY 174 CO -0.05 -0.21 0.96 2.56 0.00 0.00 0.00 173.10 176.36 3i57 s PRO 175 N -5.59 3.99 -0.08 2.90 0.04 -1.25 -4.83 135.00 130.17 3i57 s PRO 175 Ca 0.71 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.71 3i57 s PRO 175 Cb -0.08 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3i57 s PRO 175 CO 0.54 -0.20 -0.11 0.99 0.04 0.00 0.00 177.00 178.26 3i57 s THR 176 N -2.51 1.14 0.14 1.26 2.01 -1.26 -1.00 115.64 115.43 3i57 s THR 176 Ca 0.59 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 3i57 s THR 176 Cb -0.10 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 3i57 s THR 176 CO 0.28 0.37 0.22 -1.48 -0.69 0.00 0.00 174.62 173.31 3i57 s LEU 177 N 1.00 1.22 -0.09 4.42 0.05 -0.25 -4.98 118.68 120.04 3i57 s LEU 177 Ca -0.08 -0.90 0.03 0.00 0.05 0.00 0.00 54.13 53.23 3i57 s LEU 177 Cb -0.15 0.98 0.01 0.00 -2.05 0.00 0.00 46.19 44.98 3i57 s LEU 177 CO -0.00 -0.83 -0.19 -0.89 -0.55 0.00 0.00 176.35 173.89 3i57 s THR 178 N -3.96 1.67 -0.07 5.48 2.01 -1.26 -0.93 115.64 118.58 3i57 s THR 178 Ca 0.16 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 3i57 s THR 178 Cb 0.04 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 3i57 s THR 178 CO -0.02 0.47 0.45 -0.69 -0.69 0.00 0.00 174.62 174.15 3i57 s VAL 179 N 0.60 5.12 -0.10 3.82 1.01 -0.03 -4.95 120.40 125.86 3i57 s VAL 179 Ca -0.14 0.92 0.01 0.00 0.00 0.00 0.00 61.98 62.76 3i57 s VAL 179 Cb -0.17 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3i57 s VAL 179 CO 0.05 0.42 -0.11 -0.63 0.00 0.00 0.00 175.10 174.83 3i57 s ILE 180 N 0.01 3.32 -0.21 2.22 1.01 -1.26 -1.57 121.20 124.73 3i57 s ILE 180 Ca 0.25 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3i57 s ILE 180 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3i57 s ILE 180 CO 0.11 0.56 0.09 -0.31 0.00 0.00 0.00 174.94 175.39 3i57 s TYR 181 N -0.24 3.24 -0.06 3.97 1.51 0.36 -0.45 117.35 125.68 3i57 s TYR 181 Ca 0.02 0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 3i57 s TYR 181 Cb -0.13 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 3i57 s TYR 181 CO 0.03 0.04 -0.14 0.99 -1.11 0.00 0.00 175.55 175.36 3i57 s THR 182 N 0.76 3.04 0.37 -0.71 2.01 -0.68 -4.04 115.64 116.40 3i57 s THR 182 Ca 0.05 -0.72 -0.27 0.00 0.31 0.00 0.00 61.69 61.05 3i57 s THR 182 Cb -0.13 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.08 3i57 s THR 182 CO 0.02 0.58 1.35 0.00 -0.69 0.00 0.00 174.62 175.88 3i57 s ALA 183 N -0.60 3.42 -2.00 7.40 0.00 -1.26 -1.56 121.76 127.15 3i57 s ALA 183 Ca 0.09 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.45 3i57 s ALA 183 Cb -0.11 -3.51 0.44 0.00 0.00 0.00 0.00 23.12 19.94 3i57 s ALA 183 CO 0.01 -0.82 0.90 -0.25 0.00 0.00 0.00 175.76 175.60