#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2auw s GLU 3 N 0.00 3.55 -0.14 3.52 1.03 -1.26 -5.09 118.70 120.31 2auw s GLU 3 Ca 0.00 -0.24 -0.08 0.00 0.03 0.00 0.00 54.97 54.69 2auw s GLU 3 Cb 0.00 -2.91 0.05 0.00 -0.80 0.00 0.00 34.13 30.48 2auw s GLU 3 CO 0.00 0.50 0.34 -0.47 -1.33 0.00 0.00 175.26 174.30 2auw s TYR 4 N -1.64 -0.49 -0.23 4.83 5.04 -1.26 -5.14 117.35 118.46 2auw s TYR 4 Ca 0.39 1.08 0.02 0.00 -2.44 0.00 0.00 57.07 56.12 2auw s TYR 4 Cb -0.12 0.17 0.04 0.00 0.35 0.00 0.00 41.96 42.41 2auw s TYR 4 CO 0.26 -0.30 -0.14 0.12 -1.34 0.00 0.00 175.55 174.16 2auw s PHE 5 N 1.35 3.08 0.00 4.97 5.36 -1.26 -4.43 117.98 127.05 2auw s PHE 5 Ca -0.09 -2.02 -0.25 0.00 -0.96 0.00 0.00 56.93 53.61 2auw s PHE 5 Cb -0.09 -1.94 -0.17 0.00 -0.34 0.00 0.00 43.02 40.48 2auw s PHE 5 CO -0.11 -0.84 1.22 0.35 -1.46 0.00 0.00 175.22 174.38 2auw h PHE 6 N 7.85 -0.30 -4.01 10.12 3.57 -1.31 -3.45 116.94 129.42 2auw h PHE 6 Ca -0.30 -0.01 -0.54 0.00 3.53 0.00 0.00 57.97 60.65 2auw h PHE 6 Cb 1.08 0.10 0.12 0.00 2.79 0.00 0.00 35.95 40.04 2auw h PHE 6 CO 0.57 0.05 0.66 -2.14 -2.23 0.00 0.00 178.31 175.23 2auw s PRO 7 N -4.55 3.53 -0.11 6.41 0.02 -1.26 -5.01 135.00 134.04 2auw s PRO 7 Ca -0.14 2.34 -0.03 0.00 0.02 0.00 0.00 61.00 63.19 2auw s PRO 7 Cb 0.02 -2.53 -0.03 0.00 0.02 0.00 0.00 34.50 31.98 2auw s PRO 7 CO 0.56 -0.91 -0.00 0.15 -0.33 0.00 0.00 177.00 176.46 2auw s LYS 8 N -2.59 3.23 -0.35 5.54 1.02 -1.26 -4.94 119.74 120.39 2auw s LYS 8 Ca 0.64 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 2auw s LYS 8 Cb -0.42 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2auw s LYS 8 CO 0.53 0.55 1.13 -1.17 -0.92 0.00 0.00 175.35 175.47 2auw s LEU 9 N -0.47 3.87 -0.00 3.17 2.96 -1.26 -0.45 118.68 126.48 2auw s LEU 9 Ca 0.08 0.97 0.13 0.00 -0.22 0.00 0.00 54.13 55.09 2auw s LEU 9 Cb -0.12 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 2auw s LEU 9 CO 0.02 -0.99 0.46 0.35 -1.32 0.00 0.00 176.35 174.88 2auw n THR 10 N 6.12 0.00 -3.61 3.68 -2.24 0.13 -4.94 114.28 113.41 2auw n THR 10 Ca 0.12 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 2auw n THR 10 Cb 0.47 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 2auw n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2auw s ALA 11 N -2.37 -1.87 -0.02 6.98 0.00 -0.92 -4.94 121.76 118.61 2auw s ALA 11 Ca 0.02 1.83 0.02 0.00 0.00 0.00 0.00 51.96 53.84 2auw s ALA 11 Cb 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2auw s ALA 11 CO 0.52 -0.30 -0.08 0.54 0.00 0.00 0.00 175.76 176.44 2auw s VAL 12 N -0.04 0.70 -0.02 0.00 0.11 -1.26 -0.11 120.40 119.80 2auw s VAL 12 Ca -0.00 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2auw s VAL 12 Cb -0.04 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2auw s VAL 12 CO -0.01 0.23 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.33 2auw s GLU 13 N 0.24 0.54 -0.12 1.54 2.02 -0.14 -4.79 118.70 117.99 2auw s GLU 13 Ca -0.03 -0.16 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 2auw s GLU 13 Cb -0.08 -0.54 -0.02 0.00 0.10 0.00 0.00 34.13 33.58 2auw s GLU 13 CO 0.00 0.06 1.18 0.00 0.02 0.00 0.00 175.26 176.51 2auw s ALA 14 N 0.21 3.56 0.36 5.21 0.00 -1.26 -0.32 121.76 129.51 2auw s ALA 14 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2auw s ALA 14 Cb -0.06 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2auw s ALA 14 CO -0.00 -0.90 0.00 1.28 0.00 0.00 0.00 175.76 176.14 2auw n LEU 15 N 5.73 0.00 -4.68 0.00 4.77 -0.47 -4.93 117.00 117.42 2auw n LEU 15 Ca 0.12 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.65 2auw n LEU 15 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2auw n LEU 15 CO 0.55 -0.04 1.04 0.00 -1.33 0.00 0.00 177.39 177.61 2auw n ALA 16 N -3.00 1.29 -1.64 -1.18 0.00 -1.26 -4.61 120.51 110.11 2auw n ALA 16 Ca 0.00 0.41 -0.47 0.00 0.00 0.00 0.00 53.44 53.37 2auw n ALA 16 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.11 2auw n ALA 16 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2auw n PRO 17 N 2.04 1.81 -2.57 0.00 -0.02 -1.26 -1.03 135.00 133.97 2auw n PRO 17 Ca 0.11 0.65 -0.26 0.00 -2.02 0.00 0.00 63.50 61.98 2auw n PRO 17 Cb 0.32 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 2auw n PRO 17 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2auw n TYR 18 N 2.70 3.40 -3.61 6.00 4.02 -1.26 -5.09 117.16 123.32 2auw n TYR 18 Ca 0.16 -3.26 -0.30 0.00 -0.01 0.00 0.00 57.90 54.49 2auw n TYR 18 Cb 0.27 -0.16 -0.04 0.00 -0.02 0.00 0.00 39.34 39.38 2auw n TYR 18 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2auw s ARG 19 N -3.50 3.62 0.13 -0.72 0.52 -0.20 -1.63 118.95 117.16 2auw s ARG 19 Ca 0.47 -0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.66 2auw s ARG 19 Cb 0.38 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2auw s ARG 19 CO -0.17 0.40 -0.17 -0.51 0.02 0.00 0.00 175.30 174.87 2auw s LEU 20 N -2.93 2.38 -0.16 2.53 1.43 -0.05 -1.36 118.68 120.51 2auw s LEU 20 Ca 0.42 -0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2auw s LEU 20 Cb -0.12 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 2auw s LEU 20 CO 0.26 -0.04 -0.09 -0.60 0.23 0.00 0.00 176.35 176.10 2auw s ARG 21 N -2.43 3.43 -0.06 1.70 3.52 0.56 -1.61 118.95 124.06 2auw s ARG 21 Ca 0.10 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.11 2auw s ARG 21 Cb -0.07 -2.78 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2auw s ARG 21 CO 0.05 0.11 -0.24 0.95 -0.81 0.00 0.00 175.30 175.35 2auw s THR 22 N 0.66 1.99 -0.03 4.11 -4.23 0.10 -0.97 115.64 117.27 2auw s THR 22 Ca -0.05 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 2auw s THR 22 Cb -0.15 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 2auw s THR 22 CO 0.02 0.55 -0.19 -0.89 -0.54 0.00 0.00 174.62 173.58 2auw s THR 23 N -0.09 2.70 0.14 3.99 2.01 0.85 -0.36 115.64 124.87 2auw s THR 23 Ca -0.05 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.12 2auw s THR 23 Cb -0.14 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2auw s THR 23 CO 0.04 0.56 -0.16 0.26 -0.69 0.00 0.00 174.62 174.63 2auw s TRP 24 N -0.71 1.62 -1.00 4.92 0.52 -0.67 0.20 118.94 123.83 2auw s TRP 24 Ca 0.11 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 55.73 2auw s TRP 24 Cb -0.10 -0.83 0.00 0.00 -1.15 0.00 0.00 33.47 31.39 2auw s TRP 24 CO 0.00 0.23 0.94 -1.13 0.02 0.00 0.00 176.95 177.01 2auw n SER 25 N 0.47 0.00 -0.02 2.95 3.41 0.40 -1.33 113.62 119.49 2auw n SER 25 Ca -0.15 0.44 0.14 0.00 -0.26 0.00 0.00 58.87 59.04 2auw n SER 25 Cb 0.57 -0.44 0.69 0.00 -0.26 0.00 0.00 64.21 64.77 2auw n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2auw n THR 26 N -1.44 0.00 0.00 6.66 -2.24 -1.26 -4.92 114.28 111.09 2auw n THR 26 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2auw n THR 26 Cb 0.03 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2auw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2auw n GLY 27 N 1.33 2.75 3.77 3.38 0.00 -0.44 -5.05 105.19 110.93 2auw n GLY 27 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2auw n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2auw s GLU 28 N -0.57 4.04 -0.23 1.61 2.02 -1.25 -4.79 118.70 119.52 2auw s GLU 28 Ca 0.00 2.08 0.01 0.00 0.02 0.00 0.00 54.97 57.08 2auw s GLU 28 Cb 0.00 -2.78 0.05 0.00 0.10 0.00 0.00 34.13 31.51 2auw s GLU 28 CO 0.00 -0.40 -0.09 0.08 0.02 0.00 0.00 175.26 174.87 2auw s VAL 29 N -1.28 1.77 -0.03 2.63 1.01 -1.26 -1.66 120.40 121.57 2auw s VAL 29 Ca 0.56 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2auw s VAL 29 Cb -0.36 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2auw s VAL 29 CO 0.47 0.00 -0.18 -0.76 0.00 0.00 0.00 175.10 174.63 2auw s LEU 30 N 1.30 1.96 0.15 3.92 1.43 0.51 -4.94 118.68 123.01 2auw s LEU 30 Ca -0.05 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2auw s LEU 30 Cb -0.18 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2auw s LEU 30 CO -0.06 0.18 0.24 -1.61 0.23 0.00 0.00 176.35 175.33 2auw s GLU 31 N -0.11 3.30 -0.23 1.70 2.02 -1.26 0.01 118.70 124.13 2auw s GLU 31 Ca -0.00 -0.65 -0.19 0.00 0.02 0.00 0.00 54.97 54.14 2auw s GLU 31 Cb -0.10 -2.89 0.06 0.00 0.10 0.00 0.00 34.13 31.30 2auw s GLU 31 CO 0.01 0.52 0.61 0.54 0.02 0.00 0.00 175.26 176.96 2auw s VAL 32 N -1.72 -0.00 -0.23 2.63 0.11 -0.64 -4.74 120.40 115.81 2auw s VAL 32 Ca 0.34 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.26 2auw s VAL 32 Cb -0.11 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 2auw s VAL 32 CO 0.27 0.00 0.31 -1.81 -3.33 0.00 0.00 175.10 170.55 2auw s ASP 33 N 0.66 6.30 0.00 3.54 1.01 -1.26 -0.87 116.67 126.05 2auw s ASP 33 Ca -0.03 0.34 0.12 0.00 0.71 0.00 0.00 52.55 53.69 2auw s ASP 33 Cb -0.05 -2.18 0.31 0.00 1.01 0.00 0.00 42.92 42.00 2auw s ASP 33 CO -0.04 -0.04 1.23 1.33 0.21 0.00 0.00 175.17 177.86 2auw n VAL 34 N 4.44 0.88 -0.16 -1.27 0.24 -0.65 -4.72 118.33 117.10 2auw n VAL 34 Ca -0.11 -0.94 -0.08 0.00 -2.04 0.00 0.00 64.34 61.18 2auw n VAL 34 Cb 0.51 0.59 0.01 0.00 -1.47 0.00 0.00 33.84 33.49 2auw n VAL 34 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2auw h GLY 35 N 2.23 0.69 0.93 7.63 0.00 -1.93 -1.83 103.07 110.80 2auw h GLY 35 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2auw h GLY 35 CO 0.00 0.29 0.01 -1.80 0.00 0.00 0.00 176.54 175.04 2auw h ASP 36 N 0.62 0.03 -0.48 0.19 3.58 -1.95 -1.91 116.42 116.49 2auw h ASP 36 Ca 0.17 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 2auw h ASP 36 Cb 0.03 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2auw h ASP 36 CO -0.03 0.09 0.20 -0.29 -2.88 0.00 0.00 179.24 176.34 2auw h ILE 37 N -0.04 1.20 -0.67 2.25 6.09 -1.87 -2.40 117.51 122.07 2auw h ILE 37 Ca 0.01 -0.62 0.10 0.00 -1.37 0.00 0.00 64.86 62.97 2auw h ILE 37 Cb 0.07 0.71 -0.07 0.00 0.47 0.00 0.00 36.82 38.00 2auw h ILE 37 CO -0.00 0.24 0.30 -0.07 -3.07 0.00 0.00 178.15 175.54 2auw h LEU 38 N 0.64 0.35 -2.00 2.19 3.38 -1.27 -1.81 115.31 116.80 2auw h LEU 38 Ca 0.16 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2auw h LEU 38 Cb 0.18 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2auw h LEU 38 CO -0.02 0.20 -0.09 0.03 0.09 0.00 0.00 178.44 178.65 2auw h ARG 39 N 0.51 0.00 -0.01 1.13 3.08 -0.98 -2.92 114.38 115.19 2auw h ARG 39 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2auw h ARG 39 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2auw h ARG 39 CO -0.29 0.09 -0.23 1.63 -1.07 0.00 0.00 179.97 180.10 2auw n LYS 40 N -3.58 1.22 -4.03 0.04 5.02 -0.69 -4.70 118.16 111.44 2auw n LYS 40 Ca -0.02 -0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 55.14 2auw n LYS 40 Cb 0.22 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 2auw n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2auw s ILE 41 N -2.35 2.25 0.36 -0.18 1.01 -1.10 -5.01 121.20 116.18 2auw s ILE 41 Ca 0.26 -2.20 0.14 0.00 0.00 0.00 0.00 60.65 58.85 2auw s ILE 41 Cb 0.19 -2.60 0.35 0.00 0.01 0.00 0.00 42.46 40.41 2auw s ILE 41 CO 0.47 -0.49 1.76 -0.65 0.00 0.00 0.00 174.94 176.03 2auw h PRO 42 N 7.64 0.48 -0.02 2.79 0.11 -1.84 0.22 132.00 141.38 2auw h PRO 42 Ca -0.07 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.02 2auw h PRO 42 Cb 1.02 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2auw h PRO 42 CO 0.51 0.32 0.04 -0.44 -0.21 0.00 0.00 178.00 178.21 2auw h ASP 43 N 0.49 0.00 -0.17 -2.05 5.19 -1.95 -2.53 116.42 115.40 2auw h ASP 43 Ca 0.61 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.02 2auw h ASP 43 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 2auw h ASP 43 CO -0.37 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 175.93 2auw n LEU 44 N -3.55 1.94 -0.34 1.55 4.77 0.78 -4.52 117.00 117.62 2auw n LEU 44 Ca -0.02 -0.79 0.06 0.00 -0.03 0.00 0.00 56.01 55.23 2auw n LEU 44 Cb 0.12 -0.11 0.22 0.00 -2.33 0.00 0.00 43.42 41.32 2auw n LEU 44 CO 0.24 0.39 1.21 0.00 -1.33 0.00 0.00 177.39 177.90 2auw h ALA 45 N 4.17 1.42 -0.20 -1.18 0.00 -1.54 -1.30 119.26 120.64 2auw h ALA 45 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2auw h ALA 45 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2auw h ALA 45 CO 0.00 0.18 0.21 -1.35 0.00 0.00 0.00 179.25 178.29 2auw h PRO 46 N 0.93 0.00 0.00 0.00 0.11 -1.85 -0.54 132.00 130.65 2auw h PRO 46 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2auw h PRO 46 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2auw h PRO 46 CO -0.27 0.00 0.00 0.82 -0.21 0.00 0.00 178.00 178.34 2auw h ILE 47 N 0.00 0.00 0.00 4.15 2.04 -1.58 -2.97 117.51 119.15 2auw h ILE 47 Ca 0.09 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2auw h ILE 47 Cb 0.51 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2auw h ILE 47 CO -0.00 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.08 2auw h LEU 48 N 0.00 0.00 -9.42 1.44 3.38 -1.19 -3.17 115.31 106.34 2auw h LEU 48 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2auw h LEU 48 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2auw h LEU 48 CO 0.00 0.00 0.96 -0.62 0.09 0.00 0.00 178.44 178.87 2auw s ASP 49 N -5.36 6.67 0.53 -0.43 -1.08 -1.12 -4.91 116.67 110.96 2auw s ASP 49 Ca 0.00 2.38 0.24 0.00 -0.52 0.00 0.00 52.55 54.65 2auw s ASP 49 Cb 0.10 -2.56 1.37 0.00 -1.46 0.00 0.00 42.92 40.37 2auw s ASP 49 CO 0.49 -0.85 2.02 -0.65 0.52 0.00 0.00 175.17 176.70 2auw h PRO 50 N 8.25 0.01 0.00 4.34 0.11 -1.91 0.18 132.00 142.97 2auw h PRO 50 Ca -0.41 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.52 2auw h PRO 50 Cb 1.19 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2auw h PRO 50 CO 0.92 0.00 -0.89 1.05 -0.21 0.00 0.00 178.00 178.87 2auw h GLU 51 N 0.01 0.00 -0.10 1.05 9.09 -1.92 -2.74 114.58 119.96 2auw h GLU 51 Ca 0.22 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.51 2auw h GLU 51 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 2auw h GLU 51 CO -0.00 0.77 -0.41 0.00 0.05 0.00 0.00 179.01 179.42 2auw h ALA 52 N 1.18 0.19 -0.91 1.06 0.00 -1.51 -3.29 119.26 115.98 2auw h ALA 52 Ca -0.03 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.48 2auw h ALA 52 Cb 1.65 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.36 2auw h ALA 52 CO 0.10 0.30 0.57 0.35 0.00 0.00 0.00 179.25 180.57 2auw h PHE 53 N 0.03 1.06 0.00 0.00 3.57 -0.99 -1.53 116.94 119.08 2auw h PHE 53 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2auw h PHE 53 Cb 1.04 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2auw h PHE 53 CO 0.12 0.52 0.09 0.00 -2.23 0.00 0.00 178.31 176.81 2auw h ALA 54 N 1.43 1.08 0.00 2.41 0.00 -1.55 -2.66 119.26 119.97 2auw h ALA 54 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2auw h ALA 54 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2auw h ALA 54 CO -0.18 -0.08 0.00 -2.13 0.00 0.00 0.00 179.25 176.86 2auw n ARG 55 N -2.66 0.08 -1.23 0.00 0.63 -0.58 -4.75 116.66 108.15 2auw n ARG 55 Ca -0.02 0.11 -0.43 0.00 -0.92 0.00 0.00 57.85 56.59 2auw n ARG 55 Cb 0.14 -1.60 -0.03 0.00 0.45 0.00 0.00 32.46 31.42 2auw n ARG 55 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2auw n VAL 56 N -1.73 1.61 -3.89 5.15 3.14 -1.00 -4.87 118.33 116.74 2auw n VAL 56 Ca 0.06 -0.40 -0.10 0.00 -2.96 0.00 0.00 64.34 60.94 2auw n VAL 56 Cb 0.33 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.11 2auw n VAL 56 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 2auw s HIS 57 N -0.80 0.28 -0.17 1.45 -3.43 0.09 -4.79 115.29 107.92 2auw s HIS 57 Ca 0.58 -0.80 -0.23 0.00 -0.80 0.00 0.00 55.06 53.81 2auw s HIS 57 Cb -0.83 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 30.87 2auw s HIS 57 CO 0.49 -1.37 0.73 0.42 -2.00 0.00 0.00 174.74 173.00 2auw s ILE 58 N -2.90 4.96 0.24 -5.38 1.01 -1.26 -0.97 121.20 116.90 2auw s ILE 58 Ca 0.18 1.41 -0.31 0.00 0.00 0.00 0.00 60.65 61.94 2auw s ILE 58 Cb -0.04 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.26 2auw s ILE 58 CO 0.12 0.09 1.49 0.00 0.00 0.00 0.00 174.94 176.64 2auw n ALA 59 N 4.97 1.58 -1.68 9.38 0.00 0.45 -4.88 120.51 130.33 2auw n ALA 59 Ca 0.01 0.40 -0.46 0.00 0.00 0.00 0.00 53.44 53.40 2auw n ALA 59 Cb 0.49 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 2auw n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2auw n GLU 60 N 2.27 2.28 0.00 0.00 2.13 -1.26 -1.80 120.64 124.26 2auw n GLU 60 Ca 0.11 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2auw n GLU 60 Cb 0.33 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.39 2auw n GLU 60 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 2auw n TRP 61 N 4.89 0.00 0.07 4.31 -0.00 -1.26 -4.42 117.44 121.02 2auw n TRP 61 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.68 2auw n TRP 61 Cb 0.31 0.00 0.27 0.00 -0.00 0.00 0.00 31.31 31.89 2auw n TRP 61 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 2auw h GLU 62 N 0.00 0.35 0.00 5.87 4.22 -1.96 -3.46 114.58 119.59 2auw h GLU 62 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 2auw h GLU 62 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2auw h GLU 62 CO 0.00 0.56 0.00 0.41 -2.18 0.00 0.00 179.01 177.80 2auw n GLY 63 N -0.52 0.71 3.83 1.92 0.00 -0.74 -4.99 105.19 105.38 2auw n GLY 63 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2auw n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2auw s SER 64 N -2.95 6.13 -0.03 1.61 0.01 -1.26 -4.55 113.70 112.65 2auw s SER 64 Ca 0.00 1.67 -0.30 0.00 1.31 0.00 0.00 55.95 58.63 2auw s SER 64 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2auw s SER 64 CO 0.00 -0.93 1.46 -0.69 0.41 0.00 0.00 173.24 173.49 2auw s VAL 65 N -2.63 3.72 0.04 3.43 1.01 -0.15 -0.41 120.40 125.42 2auw s VAL 65 Ca 0.61 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.63 2auw s VAL 65 Cb -0.13 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2auw s VAL 65 CO 0.37 -0.04 -0.10 -0.70 0.00 0.00 0.00 175.10 174.64 2auw s GLU 66 N 3.02 0.63 0.10 2.72 2.12 -0.14 -2.12 118.70 125.04 2auw s GLU 66 Ca 0.66 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2auw s GLU 66 Cb -0.31 -0.50 0.00 0.00 0.26 0.00 0.00 34.13 33.58 2auw s GLU 66 CO 0.26 0.11 0.00 0.91 -0.54 0.00 0.00 175.26 176.00 2auw n TRP 67 N 1.59 -0.16 -0.07 5.30 8.01 -1.26 -0.73 117.44 130.13 2auw n TRP 67 Ca -0.21 0.03 -0.14 0.00 -1.31 0.00 0.00 57.50 55.87 2auw n TRP 67 Cb 0.55 0.04 -0.06 0.00 -2.01 0.00 0.00 31.31 29.83 2auw n TRP 67 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2auw n PHE 68 N -3.40 0.00 -3.31 -5.99 3.01 -1.26 -4.87 117.46 101.63 2auw n PHE 68 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2auw n PHE 68 Cb 0.00 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 38.89 2auw n PHE 68 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2auw s ASP 69 N -5.97 0.42 -0.98 4.37 2.15 -1.26 -5.01 116.67 110.38 2auw s ASP 69 Ca -0.20 -1.05 -0.06 0.00 0.43 0.00 0.00 52.55 51.67 2auw s ASP 69 Cb 0.07 1.00 0.01 0.00 -0.30 0.00 0.00 42.92 43.69 2auw s ASP 69 CO 0.28 -0.27 0.11 0.35 -0.17 0.00 0.00 175.17 175.47 2auw n THR 70 N 4.63 -0.94 -0.03 1.71 -2.24 -1.26 -4.82 114.28 111.33 2auw n THR 70 Ca 0.08 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 2auw n THR 70 Cb 0.49 -0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 67.76 2auw n THR 70 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2auw h GLU 71 N -0.84 0.16 -4.73 -0.78 3.07 -1.87 -3.43 114.58 106.16 2auw h GLU 71 Ca -0.45 -0.07 -0.60 0.00 -0.50 0.00 0.00 59.36 57.74 2auw h GLU 71 Cb 0.94 -0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.49 2auw h GLU 71 CO 0.44 0.53 -0.84 -0.06 -1.40 0.00 0.00 179.01 177.69 2auw s PHE 72 N -4.54 2.12 0.34 4.33 2.99 -0.90 -5.02 117.98 117.30 2auw s PHE 72 Ca -0.15 -1.12 -0.28 0.00 0.00 0.00 0.00 56.93 55.38 2auw s PHE 72 Cb 0.04 -1.54 -0.12 0.00 0.00 0.00 0.00 43.02 41.39 2auw s PHE 72 CO 0.71 -0.59 1.31 0.41 -0.00 0.00 0.00 175.22 177.05 2auw n GLY 73 N 4.52 0.65 0.30 4.36 0.00 -1.26 -0.98 105.19 112.78 2auw n GLY 73 Ca -0.18 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2auw n GLY 73 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2auw h ARG 74 N 2.71 0.43 -0.40 1.61 0.11 -1.93 -1.72 114.38 115.19 2auw h ARG 74 Ca -0.46 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.52 2auw h ARG 74 Cb 1.28 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2auw h ARG 74 CO 0.64 0.28 -0.03 0.38 0.10 0.00 0.00 179.97 181.34 2auw h ASP 75 N 0.44 0.72 -0.49 0.08 2.03 -1.95 -0.13 116.42 117.12 2auw h ASP 75 Ca 0.13 -0.33 -0.03 0.00 -0.73 0.00 0.00 57.03 56.06 2auw h ASP 75 Cb -0.02 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.26 2auw h ASP 75 CO -0.03 0.87 0.17 0.78 -1.03 0.00 0.00 179.24 180.01 2auw h ASN 76 N 0.54 0.69 -0.63 4.15 2.35 -1.82 -1.88 115.58 118.98 2auw h ASN 76 Ca 0.11 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2auw h ASN 76 Cb 0.52 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2auw h ASN 76 CO 0.03 0.69 0.41 0.58 -1.65 0.00 0.00 177.43 177.49 2auw h VAL 77 N 0.65 1.15 -0.11 2.81 2.07 -0.99 -0.56 116.25 121.27 2auw h VAL 77 Ca 0.16 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2auw h VAL 77 Cb 0.23 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2auw h VAL 77 CO -0.01 0.15 -0.08 0.22 0.02 0.00 0.00 177.57 177.87 2auw h TYR 78 N 0.84 -0.21 -0.68 1.57 3.20 -0.94 -1.19 116.97 119.56 2auw h TYR 78 Ca 0.24 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.22 2auw h TYR 78 Cb -0.08 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 2auw h TYR 78 CO -0.03 -0.13 0.31 0.00 -1.64 0.00 0.00 178.16 176.66 2auw h ALA 79 N 0.99 0.92 -0.42 1.82 0.00 -0.85 -1.24 119.26 120.47 2auw h ALA 79 Ca 0.07 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2auw h ALA 79 Cb 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2auw h ALA 79 CO -0.17 -0.11 -0.06 -1.49 0.00 0.00 0.00 179.25 177.42 2auw h TRP 80 N 0.53 0.78 -0.35 0.00 6.55 -0.78 -0.04 115.95 122.64 2auw h TRP 80 Ca 0.34 -0.12 -0.03 0.00 0.95 0.00 0.00 58.89 60.02 2auw h TRP 80 Cb 0.39 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.47 2auw h TRP 80 CO -0.13 0.76 0.08 0.00 -1.05 0.00 0.00 178.44 178.11 2auw h ALA 81 N 1.26 0.46 0.03 1.49 0.00 -0.56 0.51 119.26 122.46 2auw h ALA 81 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2auw h ALA 81 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2auw h ALA 81 CO 0.03 0.13 -0.01 0.87 0.00 0.00 0.00 179.25 180.27 2auw h LYS 82 N 0.42 -0.03 -0.67 0.00 1.79 -0.89 -2.70 116.57 114.48 2auw h LYS 82 Ca 0.11 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 2auw h LYS 82 Cb 0.30 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 2auw h LYS 82 CO 0.00 0.06 0.42 0.93 -1.08 0.00 0.00 179.45 179.78 2auw h GLU 83 N -0.12 0.80 0.00 3.15 5.08 -0.87 -0.99 114.58 121.63 2auw h GLU 83 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2auw h GLU 83 Cb 0.11 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2auw h GLU 83 CO 0.01 0.53 -0.03 1.96 -1.00 0.00 0.00 179.01 180.47 2auw h GLN 84 N 0.82 0.00 -0.19 2.33 4.20 -0.86 -0.30 115.11 121.10 2auw h GLN 84 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2auw h GLN 84 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2auw h GLN 84 CO -0.10 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.09 2auw n ALA 85 N -2.14 2.51 -1.07 3.87 0.00 -0.55 -4.93 120.51 118.21 2auw n ALA 85 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 2auw n ALA 85 Cb 0.21 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 2auw n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2auw n GLY 86 N 1.15 0.58 3.97 0.00 0.00 -0.12 -5.05 105.19 105.72 2auw n GLY 86 Ca 0.16 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 2auw n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2auw s GLU 87 N -1.72 3.37 -0.14 1.61 2.02 -0.49 -5.01 118.70 118.35 2auw s GLU 87 Ca 0.00 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 54.01 2auw s GLU 87 Cb 0.00 -2.81 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 2auw s GLU 87 CO 0.00 0.27 0.94 0.08 0.02 0.00 0.00 175.26 176.57 2auw s VAL 88 N -2.12 4.81 0.47 2.63 1.01 -1.26 -3.72 120.40 122.22 2auw s VAL 88 Ca 0.38 1.88 -0.05 0.00 0.00 0.00 0.00 61.98 64.19 2auw s VAL 88 Cb -0.09 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2auw s VAL 88 CO 0.31 -0.00 0.77 -0.94 0.00 0.00 0.00 175.10 175.24 2auw s SER 89 N 1.12 6.28 0.54 3.32 1.04 -1.26 -4.42 113.70 120.32 2auw s SER 89 Ca 0.44 0.91 0.20 0.00 0.48 0.00 0.00 55.95 57.98 2auw s SER 89 Cb -0.17 -2.24 1.44 0.00 0.10 0.00 0.00 66.02 65.15 2auw s SER 89 CO 0.14 -0.55 2.18 1.12 0.98 0.00 0.00 173.24 177.11 2auw h HIS 90 N 0.31 0.00 0.00 5.02 2.07 -1.90 -2.67 115.15 117.98 2auw h HIS 90 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2auw h HIS 90 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2auw h HIS 90 CO 0.58 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.83 2auw n GLU 91 N -4.32 0.44 0.00 5.12 1.02 -1.26 -0.31 120.64 121.33 2auw n GLU 91 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2auw n GLU 91 Cb 0.09 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2auw n GLU 91 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2auw n PHE 93 N 0.73 0.00 -0.30 -0.32 7.35 -1.01 -0.18 117.46 123.73 2auw n PHE 93 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 2auw n PHE 93 Cb 0.21 0.00 0.14 0.00 0.35 0.00 0.00 39.48 40.18 2auw n PHE 93 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2auw h GLY 94 N 0.00 1.26 1.00 7.13 0.00 -0.95 -2.66 103.07 108.85 2auw h GLY 94 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2auw h GLY 94 CO 0.00 0.51 0.32 -0.55 0.00 0.00 0.00 176.54 176.82 2auw h ASP 95 N 1.20 0.83 0.00 0.19 3.32 -0.82 0.48 116.42 121.62 2auw h ASP 95 Ca 0.31 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2auw h ASP 95 Cb -0.04 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.29 2auw h ASP 95 CO -0.06 0.72 0.00 1.87 -1.72 0.00 0.00 179.24 180.05 2auw n TRP 96 N -4.50 0.00 0.00 4.55 -0.00 -1.00 -0.76 117.44 115.72 2auw n TRP 96 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 2auw n TRP 96 Cb 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.41 2auw n TRP 96 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 2auw n HIS 98 N 0.57 0.00 0.33 5.87 -0.00 0.16 -2.64 115.22 119.50 2auw n HIS 98 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 2auw n HIS 98 Cb 0.00 0.00 0.61 0.00 -0.00 0.00 0.00 29.99 30.60 2auw n HIS 98 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 2auw h ARG 99 N 0.00 0.00 -0.52 1.57 0.11 -1.20 -0.75 114.38 113.59 2auw h ARG 99 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2auw h ARG 99 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2auw h ARG 99 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 2auw n ASN 100 N -2.56 3.42 -3.85 0.08 3.02 -1.08 -4.98 115.26 109.30 2auw n ASN 100 Ca 0.01 -1.98 -0.25 0.00 -0.03 0.00 0.00 54.58 52.32 2auw n ASN 100 Cb 0.22 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2auw n ASN 100 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2auw n ASN 101 N 1.12 -1.30 -4.85 6.41 4.05 -0.29 -4.96 115.26 115.44 2auw n ASN 101 Ca 0.18 -0.97 -0.34 0.00 0.45 0.00 0.00 54.58 53.90 2auw n ASN 101 Cb 0.53 -3.33 -0.06 0.00 1.23 0.00 0.00 39.78 38.15 2auw n ASN 101 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2auw s LEU 102 N -6.82 4.21 0.58 1.20 1.43 -1.26 -5.04 118.68 112.98 2auw s LEU 102 Ca 0.08 0.32 0.10 0.00 -1.03 0.00 0.00 54.13 53.60 2auw s LEU 102 Cb -0.03 -2.32 0.09 0.00 0.03 0.00 0.00 46.19 43.96 2auw s LEU 102 CO 0.87 0.32 0.78 -0.94 0.23 0.00 0.00 176.35 177.60 2auw s SER 103 N -1.55 5.06 0.23 2.29 1.04 -1.26 -4.69 113.70 114.82 2auw s SER 103 Ca 0.22 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 2auw s SER 103 Cb -0.12 0.34 0.39 0.00 0.10 0.00 0.00 66.02 66.73 2auw s SER 103 CO 0.12 -1.35 1.71 -0.07 0.98 0.00 0.00 173.24 174.63 2auw h LEU 104 N 0.19 0.12 0.60 2.42 3.38 -1.98 0.14 115.31 120.17 2auw h LEU 104 Ca -0.30 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2auw h LEU 104 Cb 1.29 0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.18 2auw h LEU 104 CO 0.41 0.04 -0.29 0.74 0.09 0.00 0.00 178.44 179.44 2auw h THR 105 N 0.34 0.41 -0.04 0.22 2.02 -1.95 -1.15 112.91 112.75 2auw h THR 105 Ca 0.37 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.36 2auw h THR 105 Cb 0.57 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2auw h THR 105 CO -0.42 0.01 -0.64 0.71 0.37 0.00 0.00 175.52 175.54 2auw h THR 106 N -0.83 1.42 -0.41 3.16 1.35 -1.89 -1.23 112.91 114.48 2auw h THR 106 Ca -0.08 -2.12 -0.08 0.00 -0.55 0.00 0.00 66.41 63.58 2auw h THR 106 Cb 0.63 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 2auw h THR 106 CO 0.13 0.62 -0.06 0.00 -0.25 0.00 0.00 175.52 175.97 2auw h ALA 107 N 1.23 0.56 -0.29 6.62 0.00 -0.75 0.13 119.26 126.76 2auw h ALA 107 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2auw h ALA 107 Cb 1.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2auw h ALA 107 CO 0.09 0.39 0.17 0.00 0.00 0.00 0.00 179.25 179.91 2auw h ALA 108 N 0.86 0.37 -0.55 0.00 0.00 -0.92 -1.65 119.26 117.37 2auw h ALA 108 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2auw h ALA 108 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2auw h ALA 108 CO 0.03 -0.13 0.02 1.05 0.00 0.00 0.00 179.25 180.22 2auw h GLU 109 N 0.36 0.93 -0.24 0.00 4.11 -1.17 0.93 114.58 119.51 2auw h GLU 109 Ca 0.10 -0.26 0.05 0.00 0.07 0.00 0.00 59.36 59.32 2auw h GLU 109 Cb 0.02 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2auw h GLU 109 CO -0.02 0.91 -0.11 0.00 0.07 0.00 0.00 179.01 179.86 2auw h ALA 110 N 1.15 0.08 0.00 1.06 0.00 -0.45 -3.18 119.26 117.92 2auw h ALA 110 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2auw h ALA 110 Cb 0.48 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2auw h ALA 110 CO 0.02 -0.53 -0.83 -0.07 0.00 0.00 0.00 179.25 177.84 2auw h LEU 111 N -0.08 0.00 -1.26 0.00 3.38 -1.14 -3.49 115.31 112.72 2auw h LEU 111 Ca 0.13 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2auw h LEU 111 Cb 0.27 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.09 2auw h LEU 111 CO -0.29 0.07 -0.31 0.61 0.09 0.00 0.00 178.44 178.61 2auw n GLY 112 N 1.27 0.23 3.42 0.83 0.00 0.27 -5.07 105.19 106.15 2auw n GLY 112 Ca 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 2auw n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2auw s ILE 113 N -3.14 0.52 0.57 -0.61 -4.36 -0.91 -5.05 121.20 108.21 2auw s ILE 113 Ca 0.16 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.41 2auw s ILE 113 Cb -0.07 -2.47 -0.05 0.00 1.25 0.00 0.00 42.46 41.11 2auw s ILE 113 CO 0.32 0.00 1.01 -0.94 0.24 0.00 0.00 174.94 175.57 2auw s SER 114 N -3.49 6.30 0.33 4.36 1.04 -1.26 -4.48 113.70 116.51 2auw s SER 114 Ca 0.31 1.55 0.01 0.00 0.48 0.00 0.00 55.95 58.30 2auw s SER 114 Cb 0.04 -2.50 0.58 0.00 0.10 0.00 0.00 66.02 64.25 2auw s SER 114 CO 0.17 -0.81 1.97 0.03 0.98 0.00 0.00 173.24 175.57 2auw h ARG 115 N 0.32 0.83 -0.36 4.02 3.08 -1.93 -2.06 114.38 118.28 2auw h ARG 115 Ca -0.46 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2auw h ARG 115 Cb 1.19 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2auw h ARG 115 CO 0.61 0.60 0.00 -2.13 -1.07 0.00 0.00 179.97 177.97 2auw n ARG 116 N -4.40 0.00 0.00 0.04 0.63 -1.26 -1.48 116.66 110.20 2auw n ARG 116 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2auw n ARG 116 Cb 0.08 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 31.90 2auw n ARG 116 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2auw n VAL 118 N 0.59 0.00 -0.18 5.15 0.31 -0.78 -0.75 118.33 122.67 2auw n VAL 118 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2auw n VAL 118 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 2auw n VAL 118 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2auw h SER 119 N 0.00 0.41 -0.68 4.52 0.87 -1.54 -0.27 113.55 116.85 2auw h SER 119 Ca 0.00 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2auw h SER 119 Cb 0.00 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 2auw h SER 119 CO 0.00 0.28 0.42 1.88 -0.53 0.00 0.00 176.83 178.88 2auw h TYR 120 N 0.54 0.78 -0.29 2.24 0.05 -1.22 -0.76 116.97 118.32 2auw h TYR 120 Ca 0.24 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.00 2auw h TYR 120 Cb 0.13 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 2auw h TYR 120 CO -0.10 0.43 0.01 1.88 -1.05 0.00 0.00 178.16 179.33 2auw h TYR 121 N 0.81 0.55 -0.95 4.88 0.99 -1.71 0.19 116.97 121.71 2auw h TYR 121 Ca 0.28 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.93 2auw h TYR 121 Cb 0.06 -0.14 -0.05 0.00 1.00 0.00 0.00 36.73 37.60 2auw h TYR 121 CO -0.05 0.64 0.63 -0.09 -0.00 0.00 0.00 178.16 179.29 2auw h ARG 122 N 0.30 1.24 -0.39 4.88 2.43 -0.62 -2.95 114.38 119.27 2auw h ARG 122 Ca 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2auw h ARG 122 Cb 0.42 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2auw h ARG 122 CO 0.01 0.82 0.00 0.25 -1.51 0.00 0.00 179.97 179.54 2auw n THR 123 N -4.40 0.50 -2.24 0.20 -2.24 -0.33 -4.82 114.28 100.95 2auw n THR 123 Ca 0.11 -0.69 -0.16 0.00 -2.27 0.00 0.00 64.05 61.04 2auw n THR 123 Cb 0.03 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 2auw n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2auw n ALA 124 N 1.29 -0.46 0.12 6.98 0.00 -0.96 -0.95 120.51 126.52 2auw n ALA 124 Ca 0.19 0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.82 2auw n ALA 124 Cb 0.55 -1.83 0.01 0.00 0.00 0.00 0.00 19.45 18.19 2auw n ALA 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2auw h HIS 125 N 0.00 0.00 -3.53 0.00 6.17 -0.91 -3.40 115.15 113.48 2auw h HIS 125 Ca -0.39 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.43 2auw h HIS 125 Cb 1.27 0.00 -0.31 0.00 2.52 0.00 0.00 27.41 30.89 2auw h HIS 125 CO 0.44 0.40 -0.70 0.21 0.71 0.00 0.00 177.93 179.00 2auw s LYS 126 N -3.03 0.00 0.48 5.26 2.20 -1.02 -5.00 119.74 118.63 2auw s LYS 126 Ca 0.02 0.16 -0.24 0.00 -0.36 0.00 0.00 55.97 55.55 2auw s LYS 126 Cb 0.08 -0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 36.18 2auw s LYS 126 CO 0.76 -0.11 1.38 0.96 -0.36 0.00 0.00 175.35 177.97 2auw s ILE 127 N 0.72 2.18 -0.34 5.43 -5.25 -1.26 -4.33 121.20 118.36 2auw s ILE 127 Ca -0.06 0.15 -0.20 0.00 -0.99 0.00 0.00 60.65 59.55 2auw s ILE 127 Cb -0.08 -3.08 -0.00 0.00 2.95 0.00 0.00 42.46 42.24 2auw s ILE 127 CO -0.02 0.01 0.64 -0.63 -1.79 0.00 0.00 174.94 173.15 2auw s ILE 128 N -1.26 4.90 0.60 8.37 1.01 -1.26 -5.00 121.20 128.56 2auw s ILE 128 Ca 0.65 0.69 -0.18 0.00 0.00 0.00 0.00 60.65 61.81 2auw s ILE 128 Cb -0.41 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 2auw s ILE 128 CO 0.51 -0.26 1.17 -2.84 0.00 0.00 0.00 174.94 173.52 2auw s PRO 129 N 2.69 2.98 0.26 2.79 0.02 -1.26 -4.49 135.00 137.99 2auw s PRO 129 Ca 0.25 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 2auw s PRO 129 Cb -0.15 -1.95 0.57 0.00 0.02 0.00 0.00 34.50 33.00 2auw s PRO 129 CO 0.14 -1.16 1.67 -0.09 -0.33 0.00 0.00 177.00 177.23 2auw h ARG 130 N 0.73 0.26 -0.97 5.54 2.43 -1.99 -1.78 114.38 118.60 2auw h ARG 130 Ca -0.49 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 58.77 2auw h ARG 130 Cb 1.28 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.69 2auw h ARG 130 CO 0.55 0.17 0.60 1.15 -1.51 0.00 0.00 179.97 180.93 2auw h THR 131 N 0.26 0.93 -0.12 0.20 2.02 -1.99 -1.09 112.91 113.11 2auw h THR 131 Ca 0.48 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 2auw h THR 131 Cb 0.88 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2auw h THR 131 CO -0.57 0.18 -0.05 0.40 0.37 0.00 0.00 175.52 175.85 2auw h ILE 132 N 0.97 1.31 -0.75 3.11 1.08 -1.70 -1.38 117.51 120.14 2auw h ILE 132 Ca 0.47 -1.06 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 2auw h ILE 132 Cb 0.44 1.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 2auw h ILE 132 CO -0.26 0.31 0.44 -0.25 -0.69 0.00 0.00 178.15 177.70 2auw h TRP 133 N -0.09 1.01 -0.94 1.37 2.91 -1.13 -0.02 115.95 119.06 2auw h TRP 133 Ca 0.03 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.08 2auw h TRP 133 Cb 0.50 -0.33 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 2auw h TRP 133 CO 0.06 0.69 0.61 -0.07 -1.03 0.00 0.00 178.44 178.70 2auw h LEU 134 N 1.03 0.99 -0.77 0.65 3.38 -1.17 -1.81 115.31 117.63 2auw h LEU 134 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2auw h LEU 134 Cb -0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2auw h LEU 134 CO -0.05 0.66 0.47 0.00 0.09 0.00 0.00 178.44 179.61 2auw h ALA 135 N 1.41 0.97 -0.32 1.53 0.00 -0.37 0.12 119.26 122.61 2auw h ALA 135 Ca 0.39 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.27 2auw h ALA 135 Cb 0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2auw h ALA 135 CO -0.14 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.58 2auw h LEU 137 N 0.14 0.86 -0.54 0.00 3.38 -0.98 -1.55 115.31 116.62 2auw h LEU 137 Ca 0.15 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2auw h LEU 137 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2auw h LEU 137 CO -0.22 1.03 0.06 1.23 0.09 0.00 0.00 178.44 180.62 2auw h GLY 138 N 0.95 0.99 0.99 0.83 0.00 -0.51 -1.43 103.07 104.89 2auw h GLY 138 Ca 0.11 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 2auw h GLY 138 CO 0.05 0.63 0.32 -0.25 0.00 0.00 0.00 176.54 177.30 2auw h TRP 139 N 0.80 0.86 -0.30 5.60 7.01 -0.80 -2.47 115.95 126.66 2auw h TRP 139 Ca 0.16 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 2auw h TRP 139 Cb 0.45 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 2auw h TRP 139 CO 0.03 0.64 0.15 0.93 -2.79 0.00 0.00 178.44 177.40 2auw h GLU 140 N 0.84 0.40 0.00 2.65 5.08 -1.03 0.87 114.58 123.39 2auw h GLU 140 Ca 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2auw h GLU 140 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2auw h GLU 140 CO -0.03 0.31 -0.17 0.00 -1.00 0.00 0.00 179.01 178.12 2auw h ALA 141 N 1.76 0.92 0.00 3.43 0.00 -0.83 -3.35 119.26 121.20 2auw h ALA 141 Ca 0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2auw h ALA 141 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2auw h ALA 141 CO -0.02 0.21 -1.29 0.25 0.00 0.00 0.00 179.25 178.41 2auw n THR 142 N -3.19 0.29 -3.15 0.00 -2.24 -0.99 -4.47 114.28 100.53 2auw n THR 142 Ca 0.02 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2auw n THR 142 Cb 0.52 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2auw n THR 142 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2auw n ARG 143 N -2.21 -0.74 -1.83 -0.78 1.74 0.30 -4.72 116.66 108.42 2auw n ARG 143 Ca -0.07 0.34 -0.42 0.00 -0.77 0.00 0.00 57.85 56.93 2auw n ARG 143 Cb 0.63 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 31.00 2auw n ARG 143 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2auw s PRO 144 N -3.50 4.17 0.07 5.56 0.04 -1.26 -4.87 135.00 135.21 2auw s PRO 144 Ca 0.01 2.48 0.26 0.00 0.04 0.00 0.00 61.00 63.79 2auw s PRO 144 Cb -0.00 -3.16 0.77 0.00 0.04 0.00 0.00 34.50 32.14 2auw s PRO 144 CO 0.43 -0.69 1.63 0.39 0.04 0.00 0.00 177.00 178.80 2auw n GLU 145 N 4.15 0.12 -4.40 4.56 -0.58 -1.26 -4.80 120.64 118.43 2auw n GLU 145 Ca 0.15 0.07 -0.27 0.00 -0.42 0.00 0.00 57.16 56.68 2auw n GLU 145 Cb 0.37 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.55 2auw n GLU 145 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2auw s THR 146 N -3.06 1.95 0.28 2.62 -1.32 -1.26 -5.04 115.64 109.81 2auw s THR 146 Ca 0.11 -1.85 0.17 0.00 -1.21 0.00 0.00 61.69 58.91 2auw s THR 146 Cb 0.16 -2.79 0.12 0.00 -1.51 0.00 0.00 72.50 68.48 2auw s THR 146 CO 0.63 0.00 1.79 0.07 -2.21 0.00 0.00 174.62 174.90 2auw h LYS 147 N 1.49 0.00 -6.57 7.08 5.09 -2.02 -3.45 116.57 118.19 2auw h LYS 147 Ca -0.43 0.00 -0.52 0.00 0.09 0.00 0.00 60.65 59.79 2auw h LYS 147 Cb 1.26 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.57 2auw h LYS 147 CO 0.74 0.37 0.37 0.95 -2.09 0.00 0.00 179.45 179.79 2auw s THR 148 N -3.87 4.45 0.14 0.07 -4.23 -1.26 -5.04 115.64 105.90 2auw s THR 148 Ca -0.01 2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 62.49 2auw s THR 148 Cb 0.13 -4.30 -0.05 0.00 1.34 0.00 0.00 72.50 69.61 2auw s THR 148 CO 0.69 0.31 0.36 -0.76 -0.54 0.00 0.00 174.62 174.69 2auw s LEU 149 N -0.02 4.27 0.69 4.79 1.43 -1.26 -4.87 118.68 123.71 2auw s LEU 149 Ca 0.47 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 2auw s LEU 149 Cb -0.24 -3.27 0.01 0.00 0.03 0.00 0.00 46.19 42.72 2auw s LEU 149 CO 0.30 0.05 1.06 -2.16 0.23 0.00 0.00 176.35 175.84 2auw s PRO 150 N -2.70 2.97 0.37 1.29 0.04 -1.26 -4.97 135.00 130.73 2auw s PRO 150 Ca 0.40 0.78 0.20 0.00 0.04 0.00 0.00 61.00 62.42 2auw s PRO 150 Cb -0.12 -2.01 0.44 0.00 0.04 0.00 0.00 34.50 32.85 2auw s PRO 150 CO 0.25 -1.03 1.62 0.00 0.04 0.00 0.00 177.00 177.88 2auw h ARG 151 N -0.66 0.00 -4.43 4.56 3.08 -2.06 -3.47 114.38 111.40 2auw h ARG 151 Ca -0.45 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.33 2auw h ARG 151 Cb 1.22 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.15 2auw h ARG 151 CO 0.60 0.30 -0.43 0.95 -1.07 0.00 0.00 179.97 180.31 2auw s THR 152 N -3.26 0.00 0.61 2.04 -4.23 -1.26 -5.16 115.64 104.38 2auw s THR 152 Ca 0.03 -1.83 -0.14 0.00 -1.18 0.00 0.00 61.69 58.56 2auw s THR 152 Cb 0.08 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 2auw s THR 152 CO 0.69 0.00 1.04 -0.76 -0.54 0.00 0.00 174.62 175.05 2auw s LEU 153 N -3.20 3.42 0.75 4.79 1.43 -1.26 -5.04 118.68 119.57 2auw s LEU 153 Ca 0.35 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 2auw s LEU 153 Cb 0.03 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.78 2auw s LEU 153 CO 0.17 -1.12 1.09 -2.84 0.23 0.00 0.00 176.35 173.87 2auw s PRO 154 N -4.37 2.37 0.00 1.29 0.02 -1.26 -5.15 135.00 127.90 2auw s PRO 154 Ca 0.61 1.17 0.13 0.00 0.02 0.00 0.00 61.00 62.93 2auw s PRO 154 Cb -0.14 -1.91 0.76 0.00 0.02 0.00 0.00 34.50 33.23 2auw s PRO 154 CO 0.41 -1.56 1.19 0.00 -0.33 0.00 0.00 177.00 176.71