#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o2x s HIS 9 N 0.00 3.05 -1.15 0.54 3.76 -1.26 -4.88 115.29 115.35 2o2x s HIS 9 Ca 0.00 0.93 -0.08 0.00 -0.15 0.00 0.00 55.06 55.76 2o2x s HIS 9 Cb 0.00 -3.83 -0.09 0.00 1.11 0.00 0.00 32.58 29.77 2o2x s HIS 9 CO 0.00 -2.81 2.64 -0.35 -0.85 0.00 0.00 174.74 173.38 2o2x n PRO 10 N 2.86 2.81 -2.90 8.40 -0.04 -1.26 -4.91 135.00 139.96 2o2x n PRO 10 Ca 0.09 -1.73 -0.40 0.00 -0.04 0.00 0.00 63.50 61.41 2o2x n PRO 10 Cb 0.40 -2.55 -0.04 0.00 -0.04 0.00 0.00 33.50 31.27 2o2x n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o2x s LEU 11 N 0.12 4.41 0.09 1.53 1.43 -1.26 -1.69 118.68 123.32 2o2x s LEU 11 Ca 0.56 1.49 0.22 0.00 -1.03 0.00 0.00 54.13 55.37 2o2x s LEU 11 Cb 0.16 -3.32 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 2o2x s LEU 11 CO -0.04 -0.08 0.88 0.35 0.23 0.00 0.00 176.35 177.69 2o2x n THR 12 N 3.23 0.31 -3.83 5.49 -2.24 -0.10 -4.97 114.28 112.18 2o2x n THR 12 Ca 0.00 -0.44 -0.06 0.00 -2.27 0.00 0.00 64.05 61.28 2o2x n THR 12 Cb 0.50 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 2o2x n THR 12 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2o2x s GLU 13 N -3.36 1.70 0.56 -0.78 -1.05 -1.23 -5.00 118.70 109.55 2o2x s GLU 13 Ca -0.01 -0.97 0.25 0.00 -0.15 0.00 0.00 54.97 54.09 2o2x s GLU 13 Cb 0.12 0.56 1.55 0.00 -0.44 0.00 0.00 34.13 35.92 2o2x s GLU 13 CO 0.83 -0.78 2.13 -1.35 0.95 0.00 0.00 175.26 177.03 2o2x h PRO 14 N 2.00 0.00 -0.23 -4.83 0.11 -2.01 -2.17 132.00 124.87 2o2x h PRO 14 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2o2x h PRO 14 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2o2x h PRO 14 CO 0.26 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.46 2o2x n GLY 15 N -1.46 3.82 2.88 -0.55 0.00 -1.26 -4.96 105.19 103.66 2o2x n GLY 15 Ca 0.01 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 2o2x n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o2x s VAL 16 N -2.34 0.60 -0.15 1.61 1.01 -0.82 -0.27 120.40 120.04 2o2x s VAL 16 Ca 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 2o2x s VAL 16 Cb 0.27 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 2o2x s VAL 16 CO 0.09 0.26 -0.13 0.86 0.00 0.00 0.00 175.10 176.18 2o2x s TRP 17 N 1.23 2.81 -0.06 5.22 -0.11 -0.25 -0.92 118.94 126.86 2o2x s TRP 17 Ca -0.06 -0.82 -0.01 0.00 1.22 0.00 0.00 56.10 56.43 2o2x s TRP 17 Cb -0.14 -1.88 0.03 0.00 -1.50 0.00 0.00 33.47 29.98 2o2x s TRP 17 CO -0.02 -0.34 0.01 0.42 -4.62 0.00 0.00 176.95 172.40 2o2x s ILE 18 N 0.62 0.29 -0.07 5.86 1.01 -0.68 -0.96 121.20 127.28 2o2x s ILE 18 Ca -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 2o2x s ILE 18 Cb -0.16 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 41.91 2o2x s ILE 18 CO 0.03 0.23 0.12 -0.70 0.00 0.00 0.00 174.94 174.62 2o2x s GLU 19 N 1.82 -0.00 0.12 2.79 2.12 -0.06 -4.79 118.70 120.70 2o2x s GLU 19 Ca 0.02 0.47 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 2o2x s GLU 19 Cb -0.12 -0.34 -0.06 0.00 0.26 0.00 0.00 34.13 33.86 2o2x s GLU 19 CO -0.04 -0.30 1.06 0.50 -0.54 0.00 0.00 175.26 175.94 2o2x s ARG 20 N 2.11 4.60 -0.16 4.30 6.06 -1.26 -0.48 118.95 134.12 2o2x s ARG 20 Ca 0.02 1.61 -0.02 0.00 -2.50 0.00 0.00 55.73 54.85 2o2x s ARG 20 Cb -0.12 -3.34 -0.01 0.00 0.06 0.00 0.00 34.95 31.54 2o2x s ARG 20 CO -0.05 0.06 -0.10 0.42 -2.50 0.00 0.00 175.30 173.13 2o2x s ILE 21 N 0.15 3.24 0.03 4.11 -1.09 -0.43 -4.93 121.20 122.29 2o2x s ILE 21 Ca 0.50 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 2o2x s ILE 21 Cb -0.27 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 2o2x s ILE 21 CO 0.32 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.13 2o2x n GLY 22 N 3.86 -2.06 0.87 6.18 0.00 -1.26 -4.38 105.19 108.40 2o2x n GLY 22 Ca -0.18 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.47 2o2x n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o2x n GLY 23 N -0.86 2.61 3.77 -0.02 0.00 -1.26 -5.05 105.19 104.38 2o2x n GLY 23 Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 2o2x n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o2x s ARG 24 N -1.31 3.74 -0.17 1.61 0.52 -1.26 -5.01 118.95 117.07 2o2x s ARG 24 Ca 0.29 1.80 -0.08 0.00 -0.52 0.00 0.00 55.73 57.22 2o2x s ARG 24 Cb 0.30 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 2o2x s ARG 24 CO -0.08 -0.57 0.08 0.54 0.02 0.00 0.00 175.30 175.29 2o2x s VAL 25 N -1.53 4.99 -0.15 3.52 0.11 -1.26 -5.08 120.40 121.01 2o2x s VAL 25 Ca 0.64 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.74 2o2x s VAL 25 Cb -0.29 -3.24 0.01 0.00 -1.53 0.00 0.00 36.38 31.33 2o2x s VAL 25 CO 0.35 0.49 -0.22 -0.36 -3.33 0.00 0.00 175.10 172.04 2o2x s PHE 26 N 0.09 2.69 0.93 1.54 0.08 -1.26 -5.12 117.98 116.92 2o2x s PHE 26 Ca 0.06 -1.39 -0.11 0.00 0.12 0.00 0.00 56.93 55.62 2o2x s PHE 26 Cb -0.12 -1.83 0.15 0.00 -0.57 0.00 0.00 43.02 40.65 2o2x s PHE 26 CO 0.00 -0.64 1.11 -1.25 -0.10 0.00 0.00 175.22 174.34 2o2x s PRO 27 N 0.88 0.95 0.73 0.24 0.04 -1.26 -4.99 135.00 131.60 2o2x s PRO 27 Ca -0.05 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 2o2x s PRO 27 Cb -0.15 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.68 2o2x s PRO 27 CO -0.04 -2.57 1.07 -1.25 0.04 0.00 0.00 177.00 174.26 2o2x s PRO 28 N -4.72 2.61 -1.01 0.56 0.04 -1.26 -4.12 135.00 127.12 2o2x s PRO 28 Ca 0.65 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2o2x s PRO 28 Cb -0.21 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2o2x s PRO 28 CO 0.59 -1.34 0.11 1.58 0.04 0.00 0.00 177.00 177.98 2o2x n HIS 29 N -3.30 -0.76 -3.29 0.56 -0.00 0.15 -5.03 115.22 103.55 2o2x n HIS 29 Ca 0.08 0.10 -0.33 0.00 -0.00 0.00 0.00 57.72 57.56 2o2x n HIS 29 Cb 0.54 -2.84 -0.06 0.00 -0.00 0.00 0.00 29.99 27.62 2o2x n HIS 29 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2o2x s LEU 30 N -3.71 4.19 0.68 0.27 1.43 -1.25 -4.37 118.68 115.92 2o2x s LEU 30 Ca 0.06 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.13 2o2x s LEU 30 Cb -0.02 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.51 2o2x s LEU 30 CO 0.07 -0.06 1.08 -2.84 0.23 0.00 0.00 176.35 174.82 2o2x s PRO 31 N -2.59 2.84 0.25 1.29 0.02 -1.26 -0.46 135.00 135.08 2o2x s PRO 31 Ca 0.47 1.15 0.12 0.00 0.02 0.00 0.00 61.00 62.76 2o2x s PRO 31 Cb -0.12 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 2o2x s PRO 31 CO 0.20 -1.19 -0.20 0.00 -0.33 0.00 0.00 177.00 175.48 2o2x s ALA 32 N -2.73 2.72 -0.43 -1.55 0.00 -1.26 -4.19 121.76 114.33 2o2x s ALA 32 Ca 0.62 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 2o2x s ALA 32 Cb -0.17 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.68 2o2x s ALA 32 CO 0.48 0.32 0.32 -1.17 0.00 0.00 0.00 175.76 175.71 2o2x s LEU 33 N -3.28 5.24 -0.01 0.00 2.96 -0.33 -1.50 118.68 121.76 2o2x s LEU 33 Ca 0.28 -1.10 -0.21 0.00 -0.22 0.00 0.00 54.13 52.88 2o2x s LEU 33 Cb -0.06 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2o2x s LEU 33 CO 0.14 -0.51 0.60 -0.36 -1.32 0.00 0.00 176.35 174.90 2o2x s PHE 34 N 1.63 3.67 -0.06 5.38 0.08 0.29 -0.96 117.98 128.01 2o2x s PHE 34 Ca 0.04 1.20 0.02 0.00 0.12 0.00 0.00 56.93 58.31 2o2x s PHE 34 Cb -0.21 -2.63 0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2o2x s PHE 34 CO 0.08 0.32 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.88 2o2x s LEU 35 N -0.06 1.68 0.91 -0.37 1.43 0.03 -1.08 118.68 121.22 2o2x s LEU 35 Ca 0.32 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2o2x s LEU 35 Cb -0.18 -0.80 0.14 0.00 0.03 0.00 0.00 46.19 45.38 2o2x s LEU 35 CO 0.17 0.05 1.09 -0.62 0.23 0.00 0.00 176.35 177.27 2o2x s ASP 36 N 0.55 3.23 0.00 2.29 2.15 -0.51 -1.19 116.67 123.20 2o2x s ASP 36 Ca -0.12 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.57 2o2x s ASP 36 Cb -0.14 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2o2x s ASP 36 CO 0.03 -2.82 0.00 -1.14 -0.17 0.00 0.00 175.17 171.07 2o2x n ARG 37 N -4.02 0.00 -2.22 4.34 0.63 -1.26 -3.80 116.66 110.32 2o2x n ARG 37 Ca 0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.58 2o2x n ARG 37 Cb 0.54 -0.36 -0.02 0.00 0.45 0.00 0.00 32.46 33.06 2o2x n ARG 37 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2o2x s ASP 38 N -3.32 6.73 0.00 6.15 1.01 -1.26 -0.89 116.67 125.08 2o2x s ASP 38 Ca 0.00 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.09 2o2x s ASP 38 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2o2x s ASP 38 CO 0.00 -0.93 0.00 0.61 0.21 0.00 0.00 175.17 175.06 2o2x n GLY 39 N 4.04 0.55 1.40 0.21 0.00 0.82 -4.77 105.19 107.43 2o2x n GLY 39 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2o2x n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2o2x n THR 40 N -2.00 0.43 0.02 2.61 -1.04 -0.66 -4.58 114.28 109.06 2o2x n THR 40 Ca 0.00 0.14 -0.20 0.00 -2.04 0.00 0.00 64.05 61.95 2o2x n THR 40 Cb 0.00 -0.93 -0.14 0.00 -1.82 0.00 0.00 70.33 67.44 2o2x n THR 40 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2o2x h ILE 41 N 0.00 1.30 -2.27 12.58 2.04 -1.11 -3.42 117.51 126.63 2o2x h ILE 41 Ca 0.00 -2.45 -0.61 0.00 1.00 0.00 0.00 64.86 62.80 2o2x h ILE 41 Cb 0.00 2.96 -0.14 0.00 -0.74 0.00 0.00 36.82 38.90 2o2x h ILE 41 CO 0.00 0.69 -0.75 0.54 0.00 0.00 0.00 178.15 178.62 2o2x s ASN 42 N -6.95 3.65 0.29 1.72 4.22 -0.93 -0.87 114.94 116.07 2o2x s ASN 42 Ca -0.17 -0.99 -0.30 0.00 -2.14 0.00 0.00 52.86 49.26 2o2x s ASN 42 Cb 0.02 -0.34 -0.11 0.00 1.28 0.00 0.00 41.25 42.11 2o2x s ASN 42 CO 0.79 0.04 1.51 -0.69 -2.04 0.00 0.00 177.10 176.71 2o2x s VAL 43 N -2.45 2.33 0.57 3.54 1.01 0.10 -0.13 120.40 125.38 2o2x s VAL 43 Ca 0.30 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 2o2x s VAL 43 Cb -0.05 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2o2x s VAL 43 CO 0.15 0.05 1.07 -0.62 0.00 0.00 0.00 175.10 175.75 2o2x s ASP 44 N 0.33 5.81 0.08 3.32 -1.08 -1.26 -4.45 116.67 119.43 2o2x s ASP 44 Ca 0.60 1.93 -0.20 0.00 -0.52 0.00 0.00 52.55 54.36 2o2x s ASP 44 Cb -0.45 -2.55 0.05 0.00 -1.46 0.00 0.00 42.92 38.51 2o2x s ASP 44 CO 0.48 -1.15 0.49 0.28 0.52 0.00 0.00 175.17 175.79 2o2x s THR 45 N -2.21 0.04 0.23 1.71 -1.32 -1.26 -4.91 115.64 107.91 2o2x s THR 45 Ca 0.66 -0.33 -0.06 0.00 -1.21 0.00 0.00 61.69 60.76 2o2x s THR 45 Cb -0.18 -1.02 0.14 0.00 -1.51 0.00 0.00 72.50 69.93 2o2x s THR 45 CO 0.32 -0.18 1.76 0.44 -2.21 0.00 0.00 174.62 174.75 2o2x h ASP 46 N 2.60 1.01 -2.79 8.08 3.32 -2.05 -3.37 116.42 123.23 2o2x h ASP 46 Ca -0.32 -0.19 -0.60 0.00 0.02 0.00 0.00 57.03 55.94 2o2x h ASP 46 Cb 1.24 -0.26 -0.40 0.00 0.22 0.00 0.00 39.33 40.12 2o2x h ASP 46 CO 0.43 0.95 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.78 2o2x s TYR 47 N -5.35 2.01 -1.36 4.55 2.02 -1.26 -4.96 117.35 112.99 2o2x s TYR 47 Ca -0.12 -2.64 -0.11 0.00 -0.37 0.00 0.00 57.07 53.84 2o2x s TYR 47 Cb 0.15 -1.65 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 2o2x s TYR 47 CO 0.83 -0.73 2.53 -0.35 -1.57 0.00 0.00 175.55 176.26 2o2x n PRO 48 N 2.73 2.98 -0.00 -1.71 -0.04 -1.26 -4.35 135.00 133.34 2o2x n PRO 48 Ca 0.22 -2.10 0.04 0.00 -0.04 0.00 0.00 63.50 61.63 2o2x n PRO 48 Cb 0.41 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 30.97 2o2x n PRO 48 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2o2x n SER 49 N 4.63 0.64 -4.20 3.54 3.41 -1.26 -4.78 113.62 115.60 2o2x n SER 49 Ca 0.63 -0.65 -0.36 0.00 -0.26 0.00 0.00 58.87 58.23 2o2x n SER 49 Cb 0.26 1.04 -0.13 0.00 -0.26 0.00 0.00 64.21 65.12 2o2x n SER 49 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2o2x s ASP 50 N -1.96 5.08 0.55 4.04 -1.08 -1.26 -4.80 116.67 117.24 2o2x s ASP 50 Ca 0.03 -1.31 0.23 0.00 -0.52 0.00 0.00 52.55 50.98 2o2x s ASP 50 Cb 0.07 -1.78 1.53 0.00 -1.46 0.00 0.00 42.92 41.28 2o2x s ASP 50 CO 0.37 -0.31 2.19 1.55 0.52 0.00 0.00 175.17 179.49 2o2x h PRO 51 N 8.08 0.00 0.00 4.34 0.13 -1.91 -1.96 132.00 140.69 2o2x h PRO 51 Ca -0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2o2x h PRO 51 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2o2x h PRO 51 CO 0.57 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.30 2o2x h ALA 52 N 1.98 1.14 -0.00 -0.56 0.00 -1.96 -2.42 119.26 117.43 2o2x h ALA 52 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2o2x h ALA 52 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2o2x h ALA 52 CO -0.00 0.06 -0.41 0.39 0.00 0.00 0.00 179.25 179.29 2o2x n GLU 53 N -3.34 0.29 -2.16 0.00 1.02 -0.74 -4.93 120.64 110.80 2o2x n GLU 53 Ca -0.02 -0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 2o2x n GLU 53 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 2o2x n GLU 53 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2o2x s ILE 54 N -2.82 3.20 -0.04 -3.67 -1.09 -0.91 -5.02 121.20 110.85 2o2x s ILE 54 Ca 0.16 0.90 0.01 0.00 -2.23 0.00 0.00 60.65 59.49 2o2x s ILE 54 Cb 0.18 -3.57 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 2o2x s ILE 54 CO 0.63 0.09 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.68 2o2x s VAL 55 N 0.84 0.63 0.52 2.92 1.01 -1.26 -5.06 120.40 119.99 2o2x s VAL 55 Ca 0.63 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 2o2x s VAL 55 Cb -0.37 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 2o2x s VAL 55 CO 0.33 0.24 1.15 -0.76 0.00 0.00 0.00 175.10 176.06 2o2x s LEU 56 N 0.75 3.83 -0.54 3.92 1.43 -1.26 -0.72 118.68 126.09 2o2x s LEU 56 Ca -0.11 2.25 -0.24 0.00 -1.03 0.00 0.00 54.13 55.00 2o2x s LEU 56 Cb -0.14 -4.47 0.04 0.00 0.03 0.00 0.00 46.19 41.66 2o2x s LEU 56 CO 0.01 -1.17 0.92 -0.13 0.23 0.00 0.00 176.35 176.22 2o2x s ARG 57 N -3.09 3.34 0.57 1.70 0.52 -0.05 -4.66 118.95 117.28 2o2x s ARG 57 Ca 0.70 -0.25 0.32 0.00 -0.52 0.00 0.00 55.73 55.99 2o2x s ARG 57 Cb -0.26 -4.04 1.73 0.00 0.52 0.00 0.00 34.95 32.89 2o2x s ARG 57 CO 0.30 -1.45 2.16 -1.35 0.02 0.00 0.00 175.30 174.99 2o2x h PRO 58 N 9.27 0.00 -2.30 3.54 0.11 -1.93 -3.33 132.00 137.36 2o2x h PRO 58 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 2o2x h PRO 58 Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2o2x h PRO 58 CO 1.08 0.06 0.01 0.00 -0.21 0.00 0.00 178.00 178.93 2o2x n GLN 59 N -3.49 0.92 0.00 1.05 0.00 -1.26 -4.26 117.38 110.34 2o2x n GLN 59 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 57.00 56.61 2o2x n GLN 59 Cb 0.18 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 28.83 2o2x n GLN 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2o2x n LEU 61 N 2.40 0.00 -0.18 2.61 4.77 -1.25 -4.62 117.00 120.72 2o2x n LEU 61 Ca 0.16 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 2o2x n LEU 61 Cb 0.43 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.86 2o2x n LEU 61 CO 0.12 0.00 1.22 -0.65 -1.33 0.00 0.00 177.39 176.75 2o2x h PRO 62 N 0.00 0.75 -0.30 3.23 0.11 -1.95 -0.42 132.00 133.42 2o2x h PRO 62 Ca 0.00 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2o2x h PRO 62 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2o2x h PRO 62 CO 0.00 0.50 -0.03 0.00 -0.21 0.00 0.00 178.00 178.26 2o2x h ALA 63 N 1.61 0.41 -0.26 -0.75 0.00 -1.94 -0.83 119.26 117.50 2o2x h ALA 63 Ca 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2o2x h ALA 63 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2o2x h ALA 63 CO -0.09 0.19 0.10 0.82 0.00 0.00 0.00 179.25 180.27 2o2x h ILE 64 N 0.34 1.17 -0.67 0.00 2.04 -1.89 -1.71 117.51 116.79 2o2x h ILE 64 Ca 0.08 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.47 2o2x h ILE 64 Cb 0.49 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2o2x h ILE 64 CO 0.02 0.18 0.38 0.00 0.00 0.00 0.00 178.15 178.73 2o2x h ALA 65 N 0.94 0.91 -0.34 1.87 0.00 -1.05 0.38 119.26 121.97 2o2x h ALA 65 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2o2x h ALA 65 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2o2x h ALA 65 CO -0.01 0.05 0.17 1.15 0.00 0.00 0.00 179.25 180.61 2o2x h THR 66 N 0.69 1.16 -0.29 0.00 2.02 -0.98 -0.89 112.91 114.62 2o2x h THR 66 Ca 0.30 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2o2x h THR 66 Cb 0.19 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2o2x h THR 66 CO -0.19 0.16 0.15 0.00 0.37 0.00 0.00 175.52 176.01 2o2x h ALA 67 N 1.02 0.37 -0.31 6.16 0.00 -1.00 -1.27 119.26 124.24 2o2x h ALA 67 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2o2x h ALA 67 Cb 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2o2x h ALA 67 CO -0.02 -0.09 -0.10 -0.91 0.00 0.00 0.00 179.25 178.13 2o2x h ASN 68 N 0.34 -0.36 0.44 0.00 -0.26 -0.69 -1.83 115.58 113.22 2o2x h ASN 68 Ca 0.10 0.10 -0.08 0.00 -0.56 0.00 0.00 56.30 55.87 2o2x h ASN 68 Cb 0.09 0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 2o2x h ASN 68 CO -0.01 -0.13 -0.36 0.03 -1.06 0.00 0.00 177.43 175.89 2o2x h ARG 69 N -0.04 0.00 0.00 0.81 3.08 -0.99 -2.08 114.38 115.16 2o2x h ARG 69 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2o2x h ARG 69 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2o2x h ARG 69 CO -0.34 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2o2x n ALA 70 N -2.43 2.38 -1.71 0.04 0.00 -0.49 -4.92 120.51 113.37 2o2x n ALA 70 Ca -0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 2o2x n ALA 70 Cb 0.41 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 2o2x n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2x n GLY 71 N 1.35 0.46 3.66 0.00 0.00 -0.77 -2.54 105.19 107.35 2o2x n GLY 71 Ca 0.10 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2o2x n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o2x s ILE 72 N -2.31 5.31 0.39 -0.61 -1.09 -0.76 -4.93 121.20 117.20 2o2x s ILE 72 Ca 0.00 0.34 -0.27 0.00 -2.23 0.00 0.00 60.65 58.49 2o2x s ILE 72 Cb 0.00 -3.57 -0.10 0.00 -1.58 0.00 0.00 42.46 37.21 2o2x s ILE 72 CO 0.00 0.31 1.39 -2.16 -1.23 0.00 0.00 174.94 173.26 2o2x s PRO 73 N 1.17 4.01 -0.25 2.79 0.04 -1.26 -4.35 135.00 137.15 2o2x s PRO 73 Ca 0.11 2.36 -0.07 0.00 0.04 0.00 0.00 61.00 63.44 2o2x s PRO 73 Cb -0.14 -2.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 2o2x s PRO 73 CO 0.06 -0.53 0.06 0.08 0.04 0.00 0.00 177.00 176.71 2o2x s VAL 74 N -1.18 4.25 -0.21 -0.36 1.01 -1.26 -1.19 120.40 121.47 2o2x s VAL 74 Ca 0.55 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2o2x s VAL 74 Cb -0.42 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2o2x s VAL 74 CO 0.56 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 175.14 2o2x s VAL 75 N 1.61 2.20 -0.10 2.92 1.01 -0.13 -0.56 120.40 127.34 2o2x s VAL 75 Ca 0.06 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 2o2x s VAL 75 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 2o2x s VAL 75 CO 0.03 0.38 0.76 -0.69 0.00 0.00 0.00 175.10 175.58 2o2x s VAL 76 N 1.26 4.98 -0.20 2.92 1.01 -1.26 -0.79 120.40 128.31 2o2x s VAL 76 Ca 0.01 1.53 -0.00 0.00 0.00 0.00 0.00 61.98 63.52 2o2x s VAL 76 Cb -0.15 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.20 2o2x s VAL 76 CO -0.10 0.17 -0.03 0.68 0.00 0.00 0.00 175.10 175.81 2o2x s VAL 77 N 1.30 1.16 -0.03 2.92 -7.23 -0.34 -0.74 120.40 117.44 2o2x s VAL 77 Ca 0.38 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.68 2o2x s VAL 77 Cb -0.17 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.32 2o2x s VAL 77 CO 0.17 -0.06 -0.05 0.28 -0.31 0.00 0.00 175.10 175.13 2o2x s THR 78 N 1.58 0.51 -0.04 5.32 -1.32 -0.49 -4.12 115.64 117.07 2o2x s THR 78 Ca -0.03 -0.14 -0.25 0.00 -1.21 0.00 0.00 61.69 60.06 2o2x s THR 78 Cb -0.17 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 2o2x s THR 78 CO -0.07 0.20 0.75 0.20 -2.21 0.00 0.00 174.62 173.49 2o2x s ASN 79 N 0.67 7.08 -0.58 8.08 0.01 -1.26 -1.55 114.94 127.38 2o2x s ASN 79 Ca -0.09 1.30 0.06 0.00 -0.71 0.00 0.00 52.86 53.42 2o2x s ASN 79 Cb -0.12 -2.44 0.30 0.00 0.41 0.00 0.00 41.25 39.40 2o2x s ASN 79 CO 0.00 -0.11 0.83 0.00 -1.51 0.00 0.00 177.10 176.31 2o2x n GLN 80 N 3.60 2.65 0.31 -0.60 1.13 0.21 -4.90 117.38 119.78 2o2x n GLN 80 Ca -0.01 -4.59 0.20 0.00 -1.94 0.00 0.00 57.00 50.66 2o2x n GLN 80 Cb 0.51 -2.15 0.99 0.00 0.11 0.00 0.00 30.24 29.70 2o2x n GLN 80 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2o2x h SER 81 N 3.53 0.00 -0.06 1.08 4.64 -1.73 -2.08 113.55 118.92 2o2x h SER 81 Ca 0.15 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2o2x h SER 81 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2o2x h SER 81 CO 0.78 0.01 0.06 1.23 -0.87 0.00 0.00 176.83 178.05 2o2x h GLY 82 N 0.77 0.00 0.68 -0.77 0.00 -1.91 -1.88 103.07 99.96 2o2x h GLY 82 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2o2x h GLY 82 CO 0.00 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 2o2x h ILE 83 N 0.00 1.29 -0.17 2.60 2.04 -1.50 -0.13 117.51 121.65 2o2x h ILE 83 Ca 0.03 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 2o2x h ILE 83 Cb 0.16 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2o2x h ILE 83 CO -0.00 0.25 0.03 0.00 0.00 0.00 0.00 178.15 178.43 2o2x h ALA 84 N 0.66 1.75 -0.01 1.87 0.00 -1.36 -2.58 119.26 119.60 2o2x h ALA 84 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2o2x h ALA 84 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2o2x h ALA 84 CO 0.01 0.19 -0.09 0.54 0.00 0.00 0.00 179.25 179.90 2o2x n ARG 85 N -4.43 0.90 -0.84 0.00 1.74 -0.80 -1.47 116.66 111.76 2o2x n ARG 85 Ca -0.00 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 2o2x n ARG 85 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2o2x n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2o2x n GLY 86 N 1.23 0.68 0.19 -0.13 0.00 -0.75 -4.78 105.19 101.63 2o2x n GLY 86 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2o2x n GLY 86 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2o2x h TYR 87 N 0.00 0.00 -2.43 1.61 0.05 -1.29 -3.47 116.97 111.44 2o2x h TYR 87 Ca 0.00 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.98 2o2x h TYR 87 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2o2x h TYR 87 CO 0.00 0.37 0.63 -0.59 -1.05 0.00 0.00 178.16 177.53 2o2x s PHE 88 N -3.71 0.05 0.21 4.88 -0.71 -1.20 -4.99 117.98 112.51 2o2x s PHE 88 Ca -0.01 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 55.50 2o2x s PHE 88 Cb 0.12 0.67 -0.00 0.00 -1.21 0.00 0.00 43.02 42.59 2o2x s PHE 88 CO 0.69 -0.80 0.04 0.41 -1.34 0.00 0.00 175.22 174.22 2o2x n GLY 89 N -0.71 3.78 0.25 1.99 0.00 -1.26 -3.98 105.19 105.27 2o2x n GLY 89 Ca -0.02 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.97 2o2x n GLY 89 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2o2x h TRP 90 N 1.24 0.00 -0.55 1.61 4.06 -1.98 -2.00 115.95 118.34 2o2x h TRP 90 Ca -0.17 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.67 2o2x h TRP 90 Cb 0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 2o2x h TRP 90 CO 0.00 0.13 -0.09 0.66 -3.56 0.00 0.00 178.44 175.58 2o2x h SER 91 N 0.00 1.03 -0.49 -3.49 4.64 -1.99 -0.56 113.55 112.67 2o2x h SER 91 Ca -0.00 -0.34 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 2o2x h SER 91 Cb 0.27 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2o2x h SER 91 CO 0.02 1.13 0.09 0.00 -0.87 0.00 0.00 176.83 177.19 2o2x h ALA 92 N 0.93 0.66 -0.61 5.18 0.00 -1.78 -1.96 119.26 121.68 2o2x h ALA 92 Ca 0.14 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2o2x h ALA 92 Cb 0.66 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2o2x h ALA 92 CO 0.05 0.38 0.31 0.35 0.00 0.00 0.00 179.25 180.34 2o2x h PHE 93 N 0.69 0.57 -0.53 0.00 3.57 -1.18 0.13 116.94 120.20 2o2x h PHE 93 Ca 0.15 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2o2x h PHE 93 Cb 0.38 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2o2x h PHE 93 CO 0.03 0.25 0.33 0.00 -2.23 0.00 0.00 178.31 176.69 2o2x h ALA 94 N 1.34 0.67 -0.31 2.41 0.00 -0.76 0.22 119.26 122.84 2o2x h ALA 94 Ca 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2o2x h ALA 94 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2o2x h ALA 94 CO -0.20 0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.18 2o2x h ALA 95 N 1.22 0.41 -0.10 0.00 0.00 -0.92 -0.65 119.26 119.22 2o2x h ALA 95 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2o2x h ALA 95 Cb -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2o2x h ALA 95 CO -0.08 0.07 -0.03 0.28 0.00 0.00 0.00 179.25 179.49 2o2x h VAL 96 N 0.34 1.30 -0.78 0.00 2.07 -0.78 -1.76 116.25 116.64 2o2x h VAL 96 Ca 0.10 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 2o2x h VAL 96 Cb 0.29 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2o2x h VAL 96 CO 0.00 0.28 0.35 -1.13 0.02 0.00 0.00 177.57 177.09 2o2x h ASN 97 N -0.14 1.05 -0.99 0.57 -1.24 -0.60 -1.20 115.58 113.03 2o2x h ASN 97 Ca 0.02 -0.15 0.04 0.00 0.71 0.00 0.00 56.30 56.93 2o2x h ASN 97 Cb 0.45 -0.27 -0.06 0.00 0.73 0.00 0.00 38.32 39.17 2o2x h ASN 97 CO 0.01 0.91 0.65 1.23 -1.29 0.00 0.00 177.43 178.94 2o2x h GLY 98 N 1.12 1.47 1.07 1.57 0.00 -1.06 -1.38 103.07 105.86 2o2x h GLY 98 Ca 0.27 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2o2x h GLY 98 CO -0.03 0.40 0.18 -0.09 0.00 0.00 0.00 176.54 177.01 2o2x h ARG 99 N 1.23 1.15 -0.18 4.80 9.65 -0.67 -0.41 114.38 129.96 2o2x h ARG 99 Ca 0.40 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2o2x h ARG 99 Cb 0.04 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 2o2x h ARG 99 CO -0.14 1.00 0.11 0.28 2.80 0.00 0.00 179.97 184.03 2o2x h VAL 100 N 1.09 1.06 -0.48 0.20 2.07 -0.74 -0.45 116.25 119.01 2o2x h VAL 100 Ca 0.23 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2o2x h VAL 100 Cb 0.36 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2o2x h VAL 100 CO 0.00 0.06 0.09 -0.07 0.02 0.00 0.00 177.57 177.67 2o2x h LEU 101 N 0.23 0.69 -0.42 2.57 3.38 -1.01 -1.35 115.31 119.40 2o2x h LEU 101 Ca 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2o2x h LEU 101 Cb -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2o2x h LEU 101 CO -0.01 0.71 0.15 -0.08 0.09 0.00 0.00 178.44 179.30 2o2x h GLU 102 N 0.71 0.64 -0.70 1.13 4.57 -0.71 -0.37 114.58 119.86 2o2x h GLU 102 Ca 0.16 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2o2x h GLU 102 Cb 0.31 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2o2x h GLU 102 CO 0.00 0.61 0.28 -0.07 -1.18 0.00 0.00 179.01 178.66 2o2x h LEU 103 N 0.54 0.95 -0.57 1.64 3.38 -0.78 -1.45 115.31 119.02 2o2x h LEU 103 Ca 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2o2x h LEU 103 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2o2x h LEU 103 CO -0.01 0.85 0.20 -0.07 0.09 0.00 0.00 178.44 179.50 2o2x h LEU 104 N 1.01 0.82 -0.87 1.67 3.38 -1.05 -2.63 115.31 117.64 2o2x h LEU 104 Ca 0.24 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2o2x h LEU 104 Cb 0.19 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 2o2x h LEU 104 CO -0.02 0.79 0.52 -0.09 0.09 0.00 0.00 178.44 179.73 2o2x h ARG 105 N 0.80 0.87 0.00 1.13 2.43 -0.60 -0.90 114.38 118.10 2o2x h ARG 105 Ca 0.19 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2o2x h ARG 105 Cb 0.25 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2o2x h ARG 105 CO -0.01 0.57 -0.08 0.93 -1.51 0.00 0.00 179.97 179.88 2o2x h GLU 106 N 0.89 0.00 -0.02 0.20 5.08 -0.94 -0.55 114.58 119.26 2o2x h GLU 106 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2o2x h GLU 106 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2o2x h GLU 106 CO -0.22 0.08 -0.02 0.39 -1.00 0.00 0.00 179.01 178.23 2o2x n GLU 107 N -3.38 1.73 -1.43 2.33 -0.58 -0.46 -4.96 120.64 113.90 2o2x n GLU 107 Ca -0.01 -1.10 -0.01 0.00 -0.42 0.00 0.00 57.16 55.62 2o2x n GLU 107 Cb 0.24 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2o2x n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2o2x n GLY 108 N 1.22 0.40 3.38 0.62 0.00 -0.21 -5.05 105.19 105.54 2o2x n GLY 108 Ca 0.18 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 2o2x n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2o2x s VAL 109 N -2.03 1.47 0.19 1.61 -7.23 -0.51 -4.99 120.40 108.91 2o2x s VAL 109 Ca 0.00 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 2o2x s VAL 109 Cb 0.00 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2o2x s VAL 109 CO 0.00 -0.37 0.39 0.72 -0.31 0.00 0.00 175.10 175.54 2o2x s PHE 110 N -3.13 0.26 0.40 2.82 -0.12 -1.26 -3.08 117.98 113.86 2o2x s PHE 110 Ca 0.28 -0.61 0.07 0.00 -0.05 0.00 0.00 56.93 56.62 2o2x s PHE 110 Cb 0.04 0.12 -0.08 0.00 -0.63 0.00 0.00 43.02 42.47 2o2x s PHE 110 CO 0.10 -0.84 -0.00 0.14 -0.05 0.00 0.00 175.22 174.57 2o2x s VAL 111 N -3.96 1.99 -0.12 -2.49 -7.23 -1.26 -4.84 120.40 102.49 2o2x s VAL 111 Ca 0.16 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2o2x s VAL 111 Cb 0.01 -2.95 0.04 0.00 0.56 0.00 0.00 36.38 34.04 2o2x s VAL 111 CO 0.01 -0.03 1.00 0.47 -0.31 0.00 0.00 175.10 176.25 2o2x n ASP 112 N -0.93 2.06 -3.68 4.85 8.00 0.28 -4.63 116.55 122.49 2o2x n ASP 112 Ca -0.05 -1.95 -0.10 0.00 0.71 0.00 0.00 54.79 53.41 2o2x n ASP 112 Cb 0.67 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.63 2o2x n ASP 112 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2o2x s VAL 114 N -0.95 -0.22 -0.03 2.53 1.01 0.37 -1.31 120.40 121.79 2o2x s VAL 114 Ca 0.03 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2o2x s VAL 114 Cb 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2o2x s VAL 114 CO 0.02 0.05 -0.26 -0.76 0.00 0.00 0.00 175.10 174.15 2o2x s LEU 115 N 1.80 2.06 -0.00 3.92 1.02 0.08 -0.88 118.68 126.67 2o2x s LEU 115 Ca -0.07 -0.48 -0.01 0.00 0.02 0.00 0.00 54.13 53.58 2o2x s LEU 115 Cb -0.10 -1.35 -0.00 0.00 0.02 0.00 0.00 46.19 44.76 2o2x s LEU 115 CO -0.13 0.29 0.03 0.00 0.02 0.00 0.00 176.35 176.56 2o2x s ALA 116 N -0.44 -0.05 -0.13 4.21 0.00 -0.13 -1.40 121.76 123.81 2o2x s ALA 116 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2o2x s ALA 116 Cb -0.11 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2o2x s ALA 116 CO 0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 175.76 175.57 2o2x h ALA 118 N 8.03 0.62 -2.80 0.00 0.00 -0.83 0.63 119.26 124.90 2o2x h ALA 118 Ca -0.35 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 53.65 2o2x h ALA 118 Cb 1.14 0.10 0.07 0.00 0.00 0.00 0.00 17.79 19.10 2o2x h ALA 118 CO 0.49 0.43 0.77 0.71 0.00 0.00 0.00 179.25 181.64 2o2x s TYR 119 N -3.14 2.92 -0.10 0.00 2.02 -1.26 -3.29 117.35 114.50 2o2x s TYR 119 Ca -0.00 1.04 -0.20 0.00 -0.37 0.00 0.00 57.07 57.54 2o2x s TYR 119 Cb 0.09 -3.88 0.05 0.00 -0.40 0.00 0.00 41.96 37.82 2o2x s TYR 119 CO 0.78 -2.79 0.49 -1.58 -1.57 0.00 0.00 175.55 170.88 2o2x s HIS 120 N -0.29 -0.47 0.50 2.71 2.46 -1.11 -4.83 115.29 114.26 2o2x s HIS 120 Ca 0.58 0.98 0.16 0.00 0.47 0.00 0.00 55.06 57.25 2o2x s HIS 120 Cb -0.43 0.22 1.21 0.00 -0.13 0.00 0.00 32.58 33.44 2o2x s HIS 120 CO 0.48 -0.39 2.10 1.05 -2.47 0.00 0.00 174.74 175.51 2o2x h GLU 121 N 4.33 0.11 -0.62 2.88 -0.00 -1.75 -1.65 114.58 117.88 2o2x h GLU 121 Ca -0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 2o2x h GLU 121 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.89 2o2x h GLU 121 CO 0.30 0.07 0.00 0.00 -0.00 0.00 0.00 179.01 179.38 2o2x n ALA 122 N -2.54 2.97 -1.29 1.06 0.00 -1.26 -4.85 120.51 114.60 2o2x n ALA 122 Ca 0.01 -1.14 -0.29 0.00 0.00 0.00 0.00 53.44 52.01 2o2x n ALA 122 Cb 0.18 -1.03 0.20 0.00 0.00 0.00 0.00 19.45 18.80 2o2x n ALA 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2o2x s GLY 123 N -0.76 1.60 -0.14 0.00 0.00 -0.62 -4.76 107.32 102.63 2o2x s GLY 123 Ca 0.37 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2o2x s GLY 123 CO 0.17 -0.02 -0.13 0.14 0.00 0.00 0.00 173.10 173.26 2o2x s VAL 124 N -3.16 1.50 0.00 1.40 1.01 -0.54 -4.73 120.40 115.88 2o2x s VAL 124 Ca 0.69 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2o2x s VAL 124 Cb -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2o2x s VAL 124 CO 0.56 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.71 2o2x n GLY 125 N 4.78 -1.37 0.27 4.51 0.00 -1.26 -4.60 105.19 107.53 2o2x n GLY 125 Ca -0.16 -2.08 0.18 0.00 0.00 0.00 0.00 46.02 43.96 2o2x n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o2x h PRO 126 N 0.45 0.00 -0.00 1.61 0.13 -1.97 -1.28 132.00 130.94 2o2x h PRO 126 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2o2x h PRO 126 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2o2x h PRO 126 CO 0.00 0.00 -0.03 1.28 -0.23 0.00 0.00 178.00 179.02 2o2x n LEU 127 N -2.87 0.29 -1.95 1.56 4.77 -1.26 -4.38 117.00 113.15 2o2x n LEU 127 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 2o2x n LEU 127 Cb 0.15 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 2o2x n LEU 127 CO 0.21 0.05 1.52 0.00 -1.33 0.00 0.00 177.39 177.83 2o2x n ALA 128 N -0.91 5.96 -2.63 -1.18 0.00 -0.48 -2.76 120.51 118.51 2o2x n ALA 128 Ca 0.19 -1.57 -0.42 0.00 0.00 0.00 0.00 53.44 51.64 2o2x n ALA 128 Cb 0.21 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 2o2x n ALA 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2o2x s ILE 129 N 0.94 4.65 0.15 0.00 1.01 -1.25 -4.65 121.20 122.04 2o2x s ILE 129 Ca 0.57 1.49 0.13 0.00 0.00 0.00 0.00 60.65 62.84 2o2x s ILE 129 Cb 0.27 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 2o2x s ILE 129 CO 0.00 -0.36 1.55 1.55 0.00 0.00 0.00 174.94 177.69 2o2x h PRO 130 N 8.07 0.00 -1.08 2.79 0.13 -1.89 -2.98 132.00 137.04 2o2x h PRO 130 Ca -0.22 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.54 2o2x h PRO 130 Cb 1.08 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.81 2o2x h PRO 130 CO 0.96 0.61 -1.19 -3.47 -0.23 0.00 0.00 178.00 174.67 2o2x n ASP 131 N -3.54 1.44 -4.76 1.44 2.03 -1.26 -4.29 116.55 107.61 2o2x n ASP 131 Ca -0.00 -2.75 -0.41 0.00 0.52 0.00 0.00 54.79 52.16 2o2x n ASP 131 Cb 0.67 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 2o2x n ASP 131 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2o2x s HIS 132 N -3.08 3.15 0.00 -0.67 5.65 -1.26 -4.95 115.29 114.13 2o2x s HIS 132 Ca 0.28 1.38 0.00 0.00 0.25 0.00 0.00 55.06 56.97 2o2x s HIS 132 Cb 0.45 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 28.22 2o2x s HIS 132 CO 0.03 -1.77 0.00 -2.30 -0.65 0.00 0.00 174.74 170.05 2o2x n PRO 133 N 1.32 0.00 -1.08 2.88 -0.02 -1.26 -4.77 135.00 132.07 2o2x n PRO 133 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2o2x n PRO 133 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 2o2x n PRO 133 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2o2x n ARG 135 N 1.50 0.00 -1.74 -0.52 0.63 -1.26 -1.30 116.66 113.98 2o2x n ARG 135 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2o2x n ARG 135 Cb 0.00 -0.33 -0.01 0.00 0.45 0.00 0.00 32.46 32.57 2o2x n ARG 135 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2o2x n LYS 136 N 1.35 2.44 0.00 -0.14 5.02 -1.26 -0.97 118.16 124.61 2o2x n LYS 136 Ca 0.00 0.86 0.12 0.00 -2.02 0.00 0.00 58.31 57.27 2o2x n LYS 136 Cb 0.00 -2.54 0.63 0.00 -0.02 0.00 0.00 35.03 33.10 2o2x n LYS 136 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2o2x n PRO 137 N 0.82 0.42 -1.96 1.97 -0.04 -1.26 -4.99 135.00 129.95 2o2x n PRO 137 Ca 0.04 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 2o2x n PRO 137 Cb 0.37 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2o2x n PRO 137 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2o2x s ASN 138 N -2.48 6.46 -0.00 3.54 0.01 -0.14 -3.06 114.94 119.27 2o2x s ASN 138 Ca 0.25 2.84 0.04 0.00 -0.71 0.00 0.00 52.86 55.28 2o2x s ASN 138 Cb 0.16 -2.66 0.12 0.00 0.41 0.00 0.00 41.25 39.29 2o2x s ASN 138 CO 0.36 -0.77 1.06 -0.81 -1.51 0.00 0.00 177.10 175.43 2o2x n PRO 139 N 0.48 1.35 0.00 -0.60 -0.04 -1.26 -4.51 135.00 130.42 2o2x n PRO 139 Ca 0.01 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 2o2x n PRO 139 Cb 0.41 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2o2x n PRO 139 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2o2x n GLY 140 N 0.66 0.00 0.55 0.55 0.00 -0.42 -1.47 105.19 105.05 2o2x n GLY 140 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2o2x n GLY 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2o2x n LEU 142 N 0.74 0.00 -0.23 0.99 4.32 -1.26 -0.49 117.00 121.07 2o2x n LEU 142 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.92 2o2x n LEU 142 Cb 0.00 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.84 2o2x n LEU 142 CO 0.00 0.00 1.02 0.58 -1.22 0.00 0.00 177.39 177.77 2o2x h VAL 143 N 0.00 1.23 -0.33 4.08 2.07 -1.63 0.15 116.25 121.82 2o2x h VAL 143 Ca 0.00 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2o2x h VAL 143 Cb 0.00 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2o2x h VAL 143 CO 0.00 0.27 0.04 -0.08 0.02 0.00 0.00 177.57 177.82 2o2x h GLU 144 N 0.88 0.55 -0.99 1.57 4.57 -1.05 -0.62 114.58 119.50 2o2x h GLU 144 Ca 0.22 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 2o2x h GLU 144 Cb 0.16 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 2o2x h GLU 144 CO -0.02 0.65 0.64 0.00 -1.18 0.00 0.00 179.01 179.09 2o2x h ALA 145 N 0.88 1.34 -0.45 2.92 0.00 -1.76 -0.98 119.26 121.21 2o2x h ALA 145 Ca 0.10 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2o2x h ALA 145 Cb 0.37 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2o2x h ALA 145 CO 0.01 0.48 0.18 0.78 0.00 0.00 0.00 179.25 180.71 2o2x h GLY 146 N 1.21 0.60 0.93 0.00 0.00 -0.42 0.00 103.07 105.39 2o2x h GLY 146 Ca 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2o2x h GLY 146 CO -0.15 0.05 0.11 0.50 0.00 0.00 0.00 176.54 177.05 2o2x h LYS 147 N 0.37 0.30 -0.38 4.80 1.57 -0.45 0.56 116.57 123.34 2o2x h LYS 147 Ca 0.21 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 2o2x h LYS 147 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2o2x h LYS 147 CO -0.19 0.30 -0.23 0.00 -0.57 0.00 0.00 179.45 178.76 2o2x h ARG 148 N 0.22 0.76 -0.40 3.15 3.08 -0.82 -3.07 114.38 117.29 2o2x h ARG 148 Ca 0.07 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2o2x h ARG 148 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2o2x h ARG 148 CO -0.01 0.92 0.00 1.28 -1.07 0.00 0.00 179.97 181.09 2o2x n LEU 149 N -4.11 3.26 -3.85 3.04 4.77 -0.05 -4.98 117.00 115.08 2o2x n LEU 149 Ca -0.00 -1.64 -0.25 0.00 -0.03 0.00 0.00 56.01 54.09 2o2x n LEU 149 Cb 0.44 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2o2x n LEU 149 CO 0.45 0.74 -0.11 0.00 -1.33 0.00 0.00 177.39 177.14 2o2x n ALA 150 N 1.20 -1.89 -1.72 -1.18 0.00 0.05 -4.50 120.51 112.48 2o2x n ALA 150 Ca 0.17 -0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 2o2x n ALA 150 Cb 0.53 -2.15 -0.00 0.00 0.00 0.00 0.00 19.45 17.83 2o2x n ALA 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o2x s LEU 151 N -6.89 3.63 -0.84 0.00 1.43 -0.42 0.33 118.68 115.93 2o2x s LEU 151 Ca 0.12 1.89 -0.20 0.00 -1.03 0.00 0.00 54.13 54.91 2o2x s LEU 151 Cb -0.06 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.73 2o2x s LEU 151 CO 0.85 -1.05 1.05 -0.62 0.23 0.00 0.00 176.35 176.81 2o2x s ASP 152 N -2.42 6.49 0.33 2.29 -1.08 0.39 -4.81 116.67 117.85 2o2x s ASP 152 Ca 0.66 -1.76 0.06 0.00 -0.52 0.00 0.00 52.55 50.99 2o2x s ASP 152 Cb -0.17 -2.39 0.57 0.00 -1.46 0.00 0.00 42.92 39.47 2o2x s ASP 152 CO 0.30 -1.15 1.80 -0.07 0.52 0.00 0.00 175.17 176.57 2o2x h LEU 153 N 10.57 0.33 -1.56 -1.34 3.38 -1.92 -2.79 115.31 121.99 2o2x h LEU 153 Ca 0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2o2x h LEU 153 Cb 1.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2o2x h LEU 153 CO 1.12 0.56 -0.23 1.56 0.09 0.00 0.00 178.44 181.54 2o2x h GLN 154 N 0.31 0.00 -0.02 1.13 7.50 -1.87 -1.75 115.11 120.40 2o2x h GLN 154 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 2o2x h GLN 154 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.09 2o2x h GLN 154 CO 0.04 0.23 -0.15 0.54 -1.50 0.00 0.00 178.83 177.99 2o2x n ARG 155 N -4.15 1.79 -1.52 1.46 1.74 -1.12 -3.86 116.66 111.01 2o2x n ARG 155 Ca -0.02 -1.39 -0.30 0.00 -0.77 0.00 0.00 57.85 55.36 2o2x n ARG 155 Cb 0.29 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.35 2o2x n ARG 155 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2o2x s SER 156 N -2.17 4.68 0.16 0.55 0.01 -0.66 -4.77 113.70 111.50 2o2x s SER 156 Ca 0.27 1.44 0.09 0.00 1.31 0.00 0.00 55.95 59.06 2o2x s SER 156 Cb 0.20 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 2o2x s SER 156 CO 0.40 -1.87 -0.20 -0.76 0.41 0.00 0.00 173.24 171.22 2o2x s LEU 157 N -5.75 2.41 0.01 2.44 1.43 -0.56 -4.44 118.68 114.23 2o2x s LEU 157 Ca 0.60 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2o2x s LEU 157 Cb -0.15 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 2o2x s LEU 157 CO 0.55 0.01 -0.11 -0.51 0.23 0.00 0.00 176.35 176.52 2o2x s ILE 158 N -1.84 0.85 -0.05 -0.59 2.07 -1.23 -0.55 121.20 119.85 2o2x s ILE 158 Ca 0.15 -0.67 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 2o2x s ILE 158 Cb -0.07 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 41.78 2o2x s ILE 158 CO 0.07 0.08 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.38 2o2x s VAL 159 N -0.55 1.02 0.26 4.00 1.01 -0.24 -0.69 120.40 125.21 2o2x s VAL 159 Ca 0.02 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2o2x s VAL 159 Cb -0.06 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.44 2o2x s VAL 159 CO 0.00 0.33 0.87 -0.83 0.00 0.00 0.00 175.10 175.47 2o2x s GLY 160 N 0.58 0.04 0.00 4.51 0.00 -0.95 -1.42 107.32 110.08 2o2x s GLY 160 Ca -0.12 -0.32 0.16 0.00 0.00 0.00 0.00 44.72 44.44 2o2x s GLY 160 CO 0.03 0.39 1.22 2.09 0.00 0.00 0.00 173.10 176.82 2o2x n ASP 161 N -0.88 2.91 -4.36 1.64 5.75 -1.26 -0.63 116.55 119.72 2o2x n ASP 161 Ca -0.06 -1.86 -0.29 0.00 -0.01 0.00 0.00 54.79 52.57 2o2x n ASP 161 Cb 0.60 -0.19 -0.14 0.00 -1.03 0.00 0.00 41.12 40.35 2o2x n ASP 161 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2o2x s LYS 162 N -1.13 1.60 0.43 0.11 1.02 -1.26 -4.81 119.74 115.69 2o2x s LYS 162 Ca 0.27 -1.22 0.14 0.00 0.02 0.00 0.00 55.97 55.18 2o2x s LYS 162 Cb 0.16 -1.93 1.03 0.00 -0.52 0.00 0.00 37.83 36.57 2o2x s LYS 162 CO 0.21 0.48 1.96 1.25 -0.92 0.00 0.00 175.35 178.33 2o2x h LEU 163 N 4.35 0.39 -2.03 3.17 5.85 -1.99 -1.38 115.31 123.66 2o2x h LEU 163 Ca -0.49 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.31 2o2x h LEU 163 Cb 1.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2o2x h LEU 163 CO 0.41 0.22 0.16 0.00 -0.34 0.00 0.00 178.44 178.89 2o2x h ALA 164 N 1.67 2.16 0.00 1.25 0.00 -1.95 -0.39 119.26 122.00 2o2x h ALA 164 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2o2x h ALA 164 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2o2x h ALA 164 CO -0.09 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 178.64 2o2x n ASP 165 N -4.41 0.65 0.00 0.00 8.00 -0.52 -1.16 116.55 119.11 2o2x n ASP 165 Ca 0.02 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2o2x n ASP 165 Cb 0.30 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2o2x n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o2x n GLN 167 N 0.42 0.00 -0.16 -1.24 6.02 -0.16 -1.60 117.38 120.66 2o2x n GLN 167 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 2o2x n GLN 167 Cb 0.13 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.41 2o2x n GLN 167 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2o2x h ALA 168 N 0.00 0.61 -0.10 -1.58 0.00 -1.06 -0.17 119.26 116.97 2o2x h ALA 168 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2o2x h ALA 168 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2o2x h ALA 168 CO 0.00 0.15 -0.06 0.78 0.00 0.00 0.00 179.25 180.12 2o2x h GLY 169 N 0.63 0.03 0.83 0.00 0.00 -1.55 -1.13 103.07 101.88 2o2x h GLY 169 Ca 0.17 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.60 2o2x h GLY 169 CO -0.02 -0.07 0.24 1.70 0.00 0.00 0.00 176.54 178.38 2o2x h LYS 170 N -0.06 0.47 0.00 4.80 3.64 -1.73 -1.83 116.57 121.86 2o2x h LYS 170 Ca 0.06 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2o2x h LYS 170 Cb 0.15 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2o2x h LYS 170 CO -0.13 0.31 -0.14 0.00 -2.27 0.00 0.00 179.45 177.21 2o2x h ARG 171 N 0.48 0.00 -0.00 1.90 3.08 -0.84 -2.02 114.38 116.98 2o2x h ARG 171 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2o2x h ARG 171 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2o2x h ARG 171 CO -0.11 0.14 -0.06 0.00 -1.07 0.00 0.00 179.97 178.88 2o2x n ALA 172 N -2.21 2.48 0.00 0.04 0.00 -0.44 -4.90 120.51 115.48 2o2x n ALA 172 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2o2x n ALA 172 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2o2x n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2x n GLY 173 N 1.49 0.84 3.75 0.00 0.00 -0.76 -4.80 105.19 105.70 2o2x n GLY 173 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2o2x n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o2x s LEU 174 N 0.00 2.74 -0.01 0.99 1.02 -0.73 -4.12 118.68 118.58 2o2x s LEU 174 Ca 0.00 1.71 0.13 0.00 0.02 0.00 0.00 54.13 56.00 2o2x s LEU 174 Cb 0.00 -4.30 -0.17 0.00 0.02 0.00 0.00 46.19 41.74 2o2x s LEU 174 CO 0.00 -2.29 0.46 0.00 0.02 0.00 0.00 176.35 174.54 2o2x n ALA 175 N -3.68 3.23 -3.22 4.21 0.00 -1.25 -4.54 120.51 115.26 2o2x n ALA 175 Ca 0.08 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 2o2x n ALA 175 Cb 0.54 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 2o2x n ALA 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2o2x s GLN 176 N -2.54 0.56 0.10 0.00 -0.21 -1.26 -1.30 119.66 115.01 2o2x s GLN 176 Ca 0.01 0.01 -0.08 0.00 0.02 0.00 0.00 55.36 55.32 2o2x s GLN 176 Cb 0.10 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 34.35 2o2x s GLN 176 CO 0.55 -0.13 0.18 0.20 -2.12 0.00 0.00 175.29 173.97 2o2x s GLY 177 N -0.83 0.21 -0.16 3.09 0.00 -0.63 -3.58 107.32 105.42 2o2x s GLY 177 Ca -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 2o2x s GLY 177 CO 0.03 -0.88 -0.10 -0.98 0.00 0.00 0.00 173.10 171.17 2o2x s TRP 178 N -3.89 2.87 -0.42 1.90 0.51 0.14 -0.06 118.94 119.99 2o2x s TRP 178 Ca 0.07 -0.75 -0.13 0.00 -2.12 0.00 0.00 56.10 53.18 2o2x s TRP 178 Cb 0.05 -1.93 0.05 0.00 -0.81 0.00 0.00 33.47 30.84 2o2x s TRP 178 CO -0.09 -0.32 0.29 -1.17 -0.51 0.00 0.00 176.95 175.15 2o2x s LEU 179 N 0.70 5.16 -0.01 2.99 2.96 0.01 -2.24 118.68 128.25 2o2x s LEU 179 Ca -0.05 -1.20 -0.35 0.00 -0.22 0.00 0.00 54.13 52.31 2o2x s LEU 179 Cb -0.15 -2.09 -0.13 0.00 0.50 0.00 0.00 46.19 44.32 2o2x s LEU 179 CO 0.02 -0.51 1.73 0.52 -1.32 0.00 0.00 176.35 176.78 2o2x n VAL 180 N 5.07 0.32 -1.41 1.68 0.31 0.20 -1.05 118.33 123.45 2o2x n VAL 180 Ca -0.11 -0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.02 2o2x n VAL 180 Cb 0.45 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.70 2o2x n VAL 180 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2o2x n ASP 181 N 5.13 -5.20 -4.79 4.52 8.00 -0.02 -4.61 116.55 119.57 2o2x n ASP 181 Ca 0.21 0.35 -0.26 0.00 0.71 0.00 0.00 54.79 55.80 2o2x n ASP 181 Cb 0.27 -3.95 -0.05 0.00 -0.02 0.00 0.00 41.12 37.36 2o2x n ASP 181 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2o2x s GLY 182 N -2.66 2.40 0.34 0.44 0.00 -0.21 -4.98 107.32 102.65 2o2x s GLY 182 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 44.72 42.97 2o2x s GLY 182 CO 0.00 -1.93 0.60 -0.54 0.00 0.00 0.00 173.10 171.23 2o2x s GLU 183 N -4.01 3.59 0.49 2.90 2.02 -1.26 -3.94 118.70 118.48 2o2x s GLU 183 Ca 0.36 -0.03 -0.21 0.00 0.02 0.00 0.00 54.97 55.11 2o2x s GLU 183 Cb 0.02 -2.60 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 2o2x s GLU 183 CO 0.21 0.12 1.12 0.00 0.02 0.00 0.00 175.26 176.72 2o2x s ALA 184 N -2.26 2.87 -0.32 5.21 0.00 -1.26 -4.55 121.76 121.45 2o2x s ALA 184 Ca 0.44 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2o2x s ALA 184 Cb -0.10 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.82 2o2x s ALA 184 CO 0.34 -0.58 0.31 0.00 0.00 0.00 0.00 175.76 175.83 2o2x s ALA 185 N -1.72 -0.33 -0.36 0.00 0.00 -0.07 -4.99 121.76 114.29 2o2x s ALA 185 Ca 0.67 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 2o2x s ALA 185 Cb -0.24 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.06 2o2x s ALA 185 CO 0.28 -1.85 0.18 0.08 0.00 0.00 0.00 175.76 174.46 2o2x s VAL 186 N 2.02 4.45 0.17 0.00 1.01 -1.26 -0.91 120.40 125.87 2o2x s VAL 186 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2o2x s VAL 186 Cb -0.15 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2o2x s VAL 186 CO -0.23 -0.18 -0.08 -1.10 0.00 0.00 0.00 175.10 173.51 2o2x s GLN 187 N 1.54 1.12 0.27 2.72 -0.21 -0.96 -5.02 119.66 119.11 2o2x s GLN 187 Ca 0.02 -1.50 -0.30 0.00 0.02 0.00 0.00 55.36 53.60 2o2x s GLN 187 Cb -0.19 -0.60 -0.11 0.00 1.00 0.00 0.00 33.01 33.11 2o2x s GLN 187 CO 0.06 0.03 1.50 -2.14 -2.12 0.00 0.00 175.29 172.62 2o2x s PRO 188 N -3.78 4.21 0.00 2.91 0.02 -1.26 -2.88 135.00 134.21 2o2x s PRO 188 Ca 0.19 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.63 2o2x s PRO 188 Cb 0.03 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2o2x s PRO 188 CO 0.02 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 2o2x n GLY 189 N 2.11 2.60 3.30 0.52 0.00 -1.26 -4.95 105.19 107.51 2o2x n GLY 189 Ca 0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2o2x n GLY 189 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o2x s PHE 190 N -1.30 -0.61 -0.16 1.61 5.36 -1.14 -4.49 117.98 117.25 2o2x s PHE 190 Ca 0.00 1.32 0.01 0.00 -0.96 0.00 0.00 56.93 57.30 2o2x s PHE 190 Cb 0.00 0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 2o2x s PHE 190 CO 0.00 -0.34 -0.18 0.00 -1.46 0.00 0.00 175.22 173.24 2o2x s ALA 191 N 1.26 2.40 -0.31 11.12 0.00 -0.42 -2.27 121.76 133.54 2o2x s ALA 191 Ca -0.08 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2o2x s ALA 191 Cb -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2o2x s ALA 191 CO -0.11 -0.13 0.84 0.42 0.00 0.00 0.00 175.76 176.77 2o2x s ILE 192 N 0.97 4.74 -0.13 0.00 1.01 -0.09 -1.60 121.20 126.10 2o2x s ILE 192 Ca -0.03 1.28 -0.09 0.00 0.00 0.00 0.00 60.65 61.81 2o2x s ILE 192 Cb -0.15 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2o2x s ILE 192 CO -0.04 -0.29 0.19 -0.13 0.00 0.00 0.00 174.94 174.67 2o2x s ARG 193 N 3.08 3.78 0.37 2.79 1.81 0.92 -0.90 118.95 130.80 2o2x s ARG 193 Ca 0.35 -0.07 -0.26 0.00 -1.72 0.00 0.00 55.73 54.03 2o2x s ARG 193 Cb -0.14 -3.28 -0.09 0.00 -0.45 0.00 0.00 34.95 30.99 2o2x s ARG 193 CO 0.13 0.58 1.11 -1.25 -0.68 0.00 0.00 175.30 175.19 2o2x s PRO 194 N -0.50 4.24 -0.53 3.54 0.04 -1.26 -0.81 135.00 139.72 2o2x s PRO 194 Ca 0.14 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.94 2o2x s PRO 194 Cb -0.12 -2.76 0.17 0.00 0.04 0.00 0.00 34.50 31.82 2o2x s PRO 194 CO 0.03 -0.13 0.39 -1.17 0.04 0.00 0.00 177.00 176.17 2o2x s LEU 195 N -2.28 2.83 0.00 -3.56 2.96 -0.73 -4.75 118.68 113.16 2o2x s LEU 195 Ca 0.54 -3.31 0.00 0.00 -0.22 0.00 0.00 54.13 51.14 2o2x s LEU 195 Cb -0.28 -0.95 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2o2x s LEU 195 CO 0.35 -0.15 0.00 0.54 -1.32 0.00 0.00 176.35 175.78 2o2x n ARG 196 N 2.60 3.07 -3.77 1.98 1.74 -1.26 -0.84 116.66 120.18 2o2x n ARG 196 Ca 0.24 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.20 2o2x n ARG 196 Cb 0.41 -0.76 -0.00 0.00 -1.02 0.00 0.00 32.46 31.09 2o2x n ARG 196 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2o2x n ASP 197 N -1.24 -1.72 0.13 0.55 5.68 -1.26 -4.93 116.55 113.76 2o2x n ASP 197 Ca 0.00 -2.68 -0.02 0.00 -0.50 0.00 0.00 54.79 51.59 2o2x n ASP 197 Cb 0.00 3.01 0.19 0.00 -1.14 0.00 0.00 41.12 43.18 2o2x n ASP 197 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2o2x h SER 198 N 1.89 0.10 -0.58 -1.12 4.64 -1.99 -2.20 113.55 114.29 2o2x h SER 198 Ca -0.29 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2o2x h SER 198 Cb 1.16 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2o2x h SER 198 CO 0.38 0.63 0.37 -1.28 -0.87 0.00 0.00 176.83 176.06 2o2x h SER 199 N 0.07 0.68 -0.05 4.97 0.87 -1.99 -1.22 113.55 116.89 2o2x h SER 199 Ca -0.00 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.41 2o2x h SER 199 Cb 0.99 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2o2x h SER 199 CO 0.08 0.52 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.26 2o2x h GLU 200 N 0.79 0.51 -1.00 2.24 5.08 -1.84 -1.97 114.58 118.39 2o2x h GLU 200 Ca 0.21 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2o2x h GLU 200 Cb -0.05 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2o2x h GLU 200 CO -0.04 0.76 0.66 1.25 -1.00 0.00 0.00 179.01 180.64 2o2x h LEU 201 N 0.44 1.12 -0.97 1.33 5.85 -1.05 -2.09 115.31 119.94 2o2x h LEU 201 Ca 0.06 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2o2x h LEU 201 Cb 0.76 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2o2x h LEU 201 CO 0.06 0.79 0.62 1.23 -0.34 0.00 0.00 178.44 180.80 2o2x h GLY 202 N 1.31 1.50 0.99 3.75 0.00 -0.47 0.36 103.07 110.50 2o2x h GLY 202 Ca 0.38 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2o2x h GLY 202 CO -0.10 0.28 0.20 -0.55 0.00 0.00 0.00 176.54 176.36 2o2x h ASP 203 N 1.08 0.37 -0.42 0.19 3.32 -1.00 -0.53 116.42 119.44 2o2x h ASP 203 Ca 0.43 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2o2x h ASP 203 Cb 0.25 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2o2x h ASP 203 CO -0.20 0.30 0.27 0.25 -1.72 0.00 0.00 179.24 178.14 2o2x h LEU 204 N 0.41 0.49 -0.86 1.55 5.85 -0.81 -2.09 115.31 119.87 2o2x h LEU 204 Ca 0.11 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2o2x h LEU 204 Cb -0.01 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2o2x h LEU 204 CO -0.02 0.37 0.48 -0.07 -0.34 0.00 0.00 178.44 178.86 2o2x h LEU 205 N 0.57 1.06 -0.88 2.25 3.38 -0.75 -1.11 115.31 119.83 2o2x h LEU 205 Ca 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2o2x h LEU 205 Cb -0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2o2x h LEU 205 CO -0.03 0.85 0.51 0.00 0.09 0.00 0.00 178.44 179.86 2o2x h ALA 206 N 1.26 1.12 -0.60 1.53 0.00 -0.95 -0.33 119.26 121.28 2o2x h ALA 206 Ca 0.30 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2o2x h ALA 206 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2o2x h ALA 206 CO -0.05 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.89 2o2x h ALA 207 N 1.28 1.04 -0.22 0.00 0.00 -0.63 -1.91 119.26 118.83 2o2x h ALA 207 Ca 0.31 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2o2x h ALA 207 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2o2x h ALA 207 CO -0.06 0.62 -0.11 0.82 0.00 0.00 0.00 179.25 180.52 2o2x h ILE 208 N 0.91 1.31 -0.75 0.00 2.04 -0.88 -3.20 117.51 116.95 2o2x h ILE 208 Ca 0.19 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.87 2o2x h ILE 208 Cb 0.40 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 2o2x h ILE 208 CO 0.01 0.36 0.50 -0.33 0.00 0.00 0.00 178.15 178.69 2o2x h GLU 209 N 0.16 0.97 0.00 2.37 4.39 -0.85 -1.22 114.58 120.40 2o2x h GLU 209 Ca 0.05 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2o2x h GLU 209 Cb 0.61 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2o2x h GLU 209 CO 0.03 0.64 -0.07 1.79 -1.16 0.00 0.00 179.01 180.25 2o2x h THR 210 N 1.00 0.96 0.00 1.13 1.35 -1.34 -1.03 112.91 114.97 2o2x h THR 210 Ca 0.28 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2o2x h THR 210 Cb -0.09 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2o2x h THR 210 CO -0.06 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 2o2x n LEU 211 N -4.33 0.00 -4.66 3.87 4.77 -0.47 -4.95 117.00 111.24 2o2x n LEU 211 Ca -0.03 0.48 -0.34 0.00 -0.03 0.00 0.00 56.01 56.09 2o2x n LEU 211 Cb 0.15 -0.48 0.12 0.00 -2.33 0.00 0.00 43.42 40.87 2o2x n LEU 211 CO 0.34 -0.04 0.68 0.61 -1.33 0.00 0.00 177.39 177.65 2o2x n GLY 212 N 1.23 -0.17 3.76 -0.72 0.00 -0.39 -4.92 105.19 103.98 2o2x n GLY 212 Ca 0.07 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2o2x n GLY 212 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o2x s ARG 213 N -3.88 4.54 -0.47 1.61 0.52 -1.05 -5.02 118.95 115.20 2o2x s ARG 213 Ca 0.73 1.72 -0.18 0.00 -0.52 0.00 0.00 55.73 57.48 2o2x s ARG 213 Cb -0.30 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.17 2o2x s ARG 213 CO 0.51 0.15 0.51 0.34 0.02 0.00 0.00 175.30 176.83 2o2x s ASP 214 N -1.05 6.20 -0.02 0.23 2.15 -1.26 -4.95 116.67 117.96 2o2x s ASP 214 Ca 0.47 -0.92 0.01 0.00 0.43 0.00 0.00 52.55 52.54 2o2x s ASP 214 Cb -0.29 -2.24 0.05 0.00 -0.30 0.00 0.00 42.92 40.14 2o2x s ASP 214 CO 0.37 -0.72 0.76 0.59 -0.17 0.00 0.00 175.17 176.00 2o2x n ASN 215 N 5.75 1.94 -0.70 -0.34 3.02 -1.26 -5.29 115.26 118.37 2o2x n ASN 215 Ca -0.08 -2.08 0.09 0.00 -0.03 0.00 0.00 54.58 52.48 2o2x n ASN 215 Cb 0.46 -0.52 0.07 0.00 -0.61 0.00 0.00 39.78 39.18 2o2x n ASN 215 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18