#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2u n SER 4 N 0.00 -1.04 -0.90 3.14 2.88 -1.26 -4.92 113.62 111.52 1j2u n SER 4 Ca 0.00 0.97 0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1j2u n SER 4 Cb 0.00 -1.06 0.23 0.00 -0.75 0.00 0.00 64.21 62.62 1j2u n SER 4 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1j2u n VAL 5 N -0.59 0.16 -3.39 2.46 0.24 -1.26 -4.91 118.33 111.05 1j2u n VAL 5 Ca 0.12 -0.52 -0.39 0.00 -2.04 0.00 0.00 64.34 61.52 1j2u n VAL 5 Cb 0.36 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.73 1j2u n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j2u s PHE 6 N -1.84 3.32 0.27 6.34 0.40 -1.26 0.62 117.98 125.83 1j2u s PHE 6 Ca 0.33 0.52 -0.00 0.00 -0.60 0.00 0.00 56.93 57.18 1j2u s PHE 6 Cb 0.21 -2.54 0.53 0.00 0.51 0.00 0.00 43.02 41.72 1j2u s PHE 6 CO 0.31 -0.11 1.80 0.28 0.70 0.00 0.00 175.22 178.20 1j2u h VAL 7 N 5.19 0.84 0.00 -0.44 2.07 -1.42 -0.05 116.25 122.44 1j2u h VAL 7 Ca -0.34 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1j2u h VAL 7 Cb 1.16 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1j2u h VAL 7 CO 0.69 0.15 -0.01 1.23 0.02 0.00 0.00 177.57 179.64 1j2u h GLY 8 N 0.81 0.00 -1.73 2.17 0.00 -1.94 -1.66 103.07 100.73 1j2u h GLY 8 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1j2u h GLY 8 CO -0.30 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.42 1j2u n GLU 9 N -3.52 2.22 -3.97 4.80 1.02 -0.04 -4.91 120.64 116.23 1j2u n GLU 9 Ca -0.03 -1.82 -0.22 0.00 -0.02 0.00 0.00 57.16 55.07 1j2u n GLU 9 Cb 0.10 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1j2u n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1j2u s LEU 10 N -1.70 4.30 0.61 -4.62 1.43 -0.62 -4.95 118.68 113.12 1j2u s LEU 10 Ca 0.34 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1j2u s LEU 10 Cb 0.21 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 1j2u s LEU 10 CO 0.30 -0.06 0.98 0.42 0.23 0.00 0.00 176.35 178.23 1j2u s THR 11 N -1.96 4.34 0.44 5.49 -4.23 -1.26 -4.92 115.64 113.55 1j2u s THR 11 Ca 0.34 0.55 0.12 0.00 -1.18 0.00 0.00 61.69 61.52 1j2u s THR 11 Cb -0.09 -3.73 0.22 0.00 1.34 0.00 0.00 72.50 70.23 1j2u s THR 11 CO 0.29 -0.89 2.03 4.11 -0.54 0.00 0.00 174.62 179.61 1j2u h TRP 12 N -0.27 0.18 -0.53 3.99 5.08 -1.99 -1.39 115.95 121.01 1j2u h TRP 12 Ca -0.45 -0.01 -0.09 0.00 1.08 0.00 0.00 58.89 59.42 1j2u h TRP 12 Cb 1.22 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 27.30 1j2u h TRP 12 CO 0.59 0.22 -0.02 0.87 -1.28 0.00 0.00 178.44 178.81 1j2u h LYS 13 N 0.18 0.95 -0.11 0.12 1.79 -1.99 -0.10 116.57 117.42 1j2u h LYS 13 Ca 0.04 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 1j2u h LYS 13 Cb 0.17 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1j2u h LYS 13 CO 0.01 0.98 0.04 0.93 -1.08 0.00 0.00 179.45 180.32 1j2u h GLU 14 N 0.82 0.16 -0.23 3.15 5.08 -1.76 -1.27 114.58 120.54 1j2u h GLU 14 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1j2u h GLU 14 Cb 0.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1j2u h GLU 14 CO 0.03 0.29 0.14 -0.92 -1.00 0.00 0.00 179.01 177.55 1j2u h TYR 15 N 0.01 0.27 -0.58 4.33 3.20 -1.21 -1.54 116.97 121.44 1j2u h TYR 15 Ca 0.04 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1j2u h TYR 15 Cb 0.19 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.29 1j2u h TYR 15 CO -0.01 0.17 0.14 1.49 -1.64 0.00 0.00 178.16 178.30 1j2u h GLU 16 N 0.29 0.27 -0.66 1.82 4.81 -0.88 -0.75 114.58 119.48 1j2u h GLU 16 Ca 0.08 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1j2u h GLU 16 Cb -0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1j2u h GLU 16 CO -0.03 0.18 0.15 0.00 -0.73 0.00 0.00 179.01 178.58 1j2u h ALA 17 N 1.46 1.02 -0.56 2.92 0.00 -0.93 0.86 119.26 124.03 1j2u h ALA 17 Ca 0.30 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1j2u h ALA 17 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1j2u h ALA 17 CO -0.38 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.56 1j2u h ARG 18 N 1.00 0.95 -0.19 0.00 2.47 -0.40 -2.51 114.38 115.69 1j2u h ARG 18 Ca 0.21 -0.28 -0.12 0.00 -1.26 0.00 0.00 59.98 58.53 1j2u h ARG 18 Cb 0.36 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1j2u h ARG 18 CO 0.00 0.94 -0.40 0.28 0.56 0.00 0.00 179.97 181.35 1j2u h VAL 19 N 0.84 1.30 0.00 2.04 2.07 -0.86 -3.01 116.25 118.63 1j2u h VAL 19 Ca 0.17 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1j2u h VAL 19 Cb 0.47 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1j2u h VAL 19 CO 0.02 0.48 -0.10 0.00 0.02 0.00 0.00 177.57 177.99 1j2u h ALA 20 N 1.20 1.36 0.00 1.67 0.00 -0.47 -2.77 119.26 120.25 1j2u h ALA 20 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j2u h ALA 20 Cb 0.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1j2u h ALA 20 CO 0.07 0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 1j2u h ALA 21 N 1.90 1.26 0.00 0.00 0.00 -1.31 -3.47 119.26 117.64 1j2u h ALA 21 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j2u h ALA 21 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1j2u h ALA 21 CO 0.01 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1j2u n GLY 22 N -0.89 1.68 0.61 0.00 0.00 -1.04 -4.89 105.19 100.66 1j2u n GLY 22 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1j2u n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j2u n ASP 23 N 0.00 1.61 -4.71 1.61 3.85 -1.26 -5.02 116.55 112.63 1j2u n ASP 23 Ca 0.00 -3.24 -0.42 0.00 -0.71 0.00 0.00 54.79 50.42 1j2u n ASP 23 Cb 0.00 -0.44 -0.03 0.00 -1.35 0.00 0.00 41.12 39.30 1j2u n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j2u s VAL 25 N 1.61 4.76 0.02 0.00 1.01 -1.26 -4.21 120.40 122.33 1j2u s VAL 25 Ca 0.71 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1j2u s VAL 25 Cb -0.43 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1j2u s VAL 25 CO 0.32 0.38 0.07 -0.76 0.00 0.00 0.00 175.10 175.11 1j2u s LEU 26 N 1.01 3.81 -0.05 3.92 1.43 -0.37 -1.31 118.68 127.12 1j2u s LEU 26 Ca 0.05 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1j2u s LEU 26 Cb -0.14 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1j2u s LEU 26 CO 0.03 0.25 -0.14 -0.04 0.23 0.00 0.00 176.35 176.68 1j2u s MET 27 N -1.88 1.56 -0.23 1.70 -1.94 0.48 -0.47 119.30 118.53 1j2u s MET 27 Ca 0.24 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1j2u s MET 27 Cb -0.12 -1.35 0.05 0.00 2.01 0.00 0.00 34.83 35.43 1j2u s MET 27 CO 0.15 0.14 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.05 1j2u s LEU 28 N 0.27 2.70 0.19 -0.03 2.96 0.79 -0.20 118.68 125.36 1j2u s LEU 28 Ca -0.07 -1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 52.41 1j2u s LEU 28 Cb -0.12 -1.31 -0.08 0.00 0.50 0.00 0.00 46.19 45.18 1j2u s LEU 28 CO 0.02 -0.19 1.22 -2.84 -1.32 0.00 0.00 176.35 173.25 1j2u s PRO 29 N 1.31 4.47 -0.23 0.98 0.02 -1.26 -0.97 135.00 139.32 1j2u s PRO 29 Ca -0.05 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1j2u s PRO 29 Cb -0.18 -3.23 0.06 0.00 0.02 0.00 0.00 34.50 31.17 1j2u s PRO 29 CO -0.07 -0.13 -0.05 0.08 -0.33 0.00 0.00 177.00 176.50 1j2u s VAL 30 N -0.02 1.46 0.00 3.83 1.01 -0.20 -1.25 120.40 125.24 1j2u s VAL 30 Ca 0.54 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1j2u s VAL 30 Cb -0.33 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1j2u s VAL 30 CO 0.37 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1j2u n GLY 31 N 4.70 4.54 3.58 4.51 0.00 0.27 -0.72 105.19 122.07 1j2u n GLY 31 Ca -0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 1j2u n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2u s ALA 32 N -2.11 -2.00 -0.34 4.61 0.00 -1.22 -3.13 121.76 117.57 1j2u s ALA 32 Ca 0.00 1.24 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 1j2u s ALA 32 Cb 0.00 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.31 1j2u s ALA 32 CO 0.00 -0.71 0.08 -1.17 0.00 0.00 0.00 175.76 173.96 1j2u s LEU 33 N -2.41 4.35 -0.13 0.00 2.96 -1.13 -4.13 118.68 118.19 1j2u s LEU 33 Ca 0.09 -1.40 -0.12 0.00 -0.22 0.00 0.00 54.13 52.48 1j2u s LEU 33 Cb -0.00 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1j2u s LEU 33 CO -0.05 -0.35 0.35 -0.70 -1.32 0.00 0.00 176.35 174.28 1j2u s GLU 34 N 1.28 0.40 0.30 1.98 2.12 -0.39 -1.31 118.70 123.09 1j2u s GLU 34 Ca -0.01 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 1j2u s GLU 34 Cb -0.20 0.17 -0.13 0.00 0.26 0.00 0.00 34.13 34.22 1j2u s GLU 34 CO -0.00 -0.06 1.17 0.00 -0.54 0.00 0.00 175.26 175.82 1j2u n GLN 35 N 3.05 1.72 -2.63 4.30 -0.00 -1.26 -4.37 117.38 118.19 1j2u n GLN 35 Ca -0.14 0.60 -0.12 0.00 -0.00 0.00 0.00 57.00 57.35 1j2u n GLN 35 Cb 0.57 -2.09 0.03 0.00 -0.00 0.00 0.00 30.24 28.75 1j2u n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1j2u n HIS 36 N 0.50 1.64 -3.58 2.61 8.25 -1.26 -4.98 115.22 118.39 1j2u n HIS 36 Ca 0.08 -2.73 0.00 0.00 -0.26 0.00 0.00 57.72 54.81 1j2u n HIS 36 Cb 0.33 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1j2u n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j2u n GLY 37 N -0.24 -1.97 0.09 -1.41 0.00 -1.25 -3.71 105.19 96.70 1j2u n GLY 37 Ca 0.16 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1j2u n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j2u h HIS 38 N 0.00 0.00 -0.02 1.61 3.86 -1.84 -3.38 115.15 115.39 1j2u h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1j2u h HIS 38 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1j2u h HIS 38 CO 0.00 0.00 -0.11 -2.39 0.86 0.00 0.00 177.93 176.29 1j2u n HIS 39 N -2.25 0.00 -3.98 2.45 1.44 -1.26 -4.85 115.22 106.76 1j2u n HIS 39 Ca 0.04 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.66 1j2u n HIS 39 Cb 0.45 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.46 1j2u n HIS 39 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1j2u s MET 40 N -1.47 0.53 0.89 -1.40 0.00 -1.24 -1.26 119.30 115.35 1j2u s MET 40 Ca 0.16 -0.86 -0.13 0.00 0.00 0.00 0.00 55.69 54.86 1j2u s MET 40 Cb 0.13 0.20 0.13 0.00 0.00 0.00 0.00 34.83 35.29 1j2u s MET 40 CO 0.26 -0.12 1.20 0.00 0.00 0.00 0.00 175.02 176.36 1j2u n MET 42 N -3.62 0.69 -0.50 0.00 0.00 -1.26 -4.07 117.12 108.35 1j2u n MET 42 Ca 0.09 -0.43 0.10 0.00 0.00 0.00 0.00 57.70 57.46 1j2u n MET 42 Cb 0.60 -1.49 0.34 0.00 0.00 0.00 0.00 33.22 32.67 1j2u n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1j2u n ASN 43 N -0.78 4.33 -0.28 7.83 2.04 -1.26 -1.26 115.26 125.88 1j2u n ASN 43 Ca 0.10 -2.25 0.06 0.00 -0.44 0.00 0.00 54.58 52.06 1j2u n ASN 43 Cb 0.36 -0.54 0.17 0.00 -2.53 0.00 0.00 39.78 37.24 1j2u n ASN 43 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1j2u h VAL 44 N 4.11 0.24 0.00 3.53 2.07 -1.83 -0.87 116.25 123.49 1j2u h VAL 44 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1j2u h VAL 44 Cb 1.23 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1j2u h VAL 44 CO 0.13 0.01 0.00 0.44 0.02 0.00 0.00 177.57 178.17 1j2u h ASP 45 N 0.06 0.00 0.00 0.57 3.32 -1.82 -1.00 116.42 117.55 1j2u h ASP 45 Ca 0.44 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.28 1j2u h ASP 45 Cb 0.78 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1j2u h ASP 45 CO -0.76 0.00 -1.16 0.58 -1.72 0.00 0.00 179.24 176.18 1j2u h VAL 46 N 0.00 0.91 -0.44 -1.35 2.07 -1.38 -3.37 116.25 112.68 1j2u h VAL 46 Ca 0.00 -2.12 0.07 0.00 0.82 0.00 0.00 66.70 65.47 1j2u h VAL 46 Cb 0.36 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1j2u h VAL 46 CO 0.00 0.31 0.09 -0.07 0.02 0.00 0.00 177.57 177.92 1j2u h LEU 47 N -1.00 0.01 0.35 2.57 3.38 -0.83 -2.21 115.31 117.58 1j2u h LEU 47 Ca -0.31 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1j2u h LEU 47 Cb 1.25 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1j2u h LEU 47 CO -0.19 0.04 -0.17 -0.07 0.09 0.00 0.00 178.44 178.14 1j2u h LEU 48 N 0.22 -0.39 -1.68 1.67 3.38 -1.44 -0.80 115.31 116.28 1j2u h LEU 48 Ca 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1j2u h LEU 48 Cb 0.27 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j2u h LEU 48 CO -0.28 -0.06 -0.05 1.55 0.09 0.00 0.00 178.44 179.68 1j2u h PRO 49 N -0.76 0.14 -0.32 1.13 0.13 -1.76 -1.12 132.00 129.45 1j2u h PRO 49 Ca -0.05 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1j2u h PRO 49 Cb 0.51 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1j2u h PRO 49 CO 0.08 0.20 0.05 1.15 -0.23 0.00 0.00 178.00 179.25 1j2u h THR 50 N 0.14 1.23 -0.62 1.56 2.02 -1.23 0.19 112.91 116.20 1j2u h THR 50 Ca 0.03 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1j2u h THR 50 Cb 0.19 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1j2u h THR 50 CO 0.01 0.27 0.20 0.00 0.37 0.00 0.00 175.52 176.37 1j2u h ALA 51 N 0.88 1.20 -0.19 6.16 0.00 -0.63 0.51 119.26 127.20 1j2u h ALA 51 Ca 0.10 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1j2u h ALA 51 Cb 0.35 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j2u h ALA 51 CO 0.01 0.57 -0.27 0.28 0.00 0.00 0.00 179.25 179.83 1j2u h VAL 52 N 0.90 1.34 -0.53 0.00 2.07 -1.00 -2.53 116.25 116.50 1j2u h VAL 52 Ca 0.21 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.30 1j2u h VAL 52 Cb 0.24 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1j2u h VAL 52 CO -0.01 0.45 0.22 0.00 0.02 0.00 0.00 177.57 178.25 1j2u h LYS 54 N 0.43 0.23 -0.43 0.00 3.64 -0.80 0.94 116.57 120.58 1j2u h LYS 54 Ca 0.25 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1j2u h LYS 54 Cb 0.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1j2u h LYS 54 CO -0.22 0.15 -0.27 0.00 -2.27 0.00 0.00 179.45 176.84 1j2u h ARG 55 N 0.23 0.93 -0.36 1.90 3.08 -1.10 -1.62 114.38 117.44 1j2u h ARG 55 Ca 0.18 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1j2u h ARG 55 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1j2u h ARG 55 CO -0.21 1.08 0.10 0.28 -1.07 0.00 0.00 179.97 180.15 1j2u h VAL 56 N 0.79 1.22 -0.86 2.04 2.07 -0.89 -2.48 116.25 118.15 1j2u h VAL 56 Ca 0.09 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1j2u h VAL 56 Cb 0.84 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1j2u h VAL 56 CO 0.07 0.25 0.56 0.00 0.02 0.00 0.00 177.57 178.47 1j2u h ALA 57 N 0.94 1.09 -0.57 1.67 0.00 -0.67 -0.08 119.26 121.63 1j2u h ALA 57 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1j2u h ALA 57 Cb 0.28 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1j2u h ALA 57 CO -0.00 0.51 0.35 0.93 0.00 0.00 0.00 179.25 181.04 1j2u h GLU 58 N 1.17 0.69 -0.31 0.00 5.08 -1.16 0.51 114.58 120.56 1j2u h GLU 58 Ca 0.31 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1j2u h GLU 58 Cb -0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1j2u h GLU 58 CO -0.07 0.45 -0.34 0.00 -1.00 0.00 0.00 179.01 178.06 1j2u h ARG 59 N 0.71 0.69 -0.07 2.33 3.08 -0.85 -3.34 114.38 116.92 1j2u h ARG 59 Ca 0.23 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1j2u h ARG 59 Cb -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1j2u h ARG 59 CO -0.09 0.93 0.00 0.44 -1.07 0.00 0.00 179.97 180.18 1j2u n ILE 60 N -4.06 0.15 -2.58 2.04 -5.35 -0.13 -5.00 119.36 104.43 1j2u n ILE 60 Ca -0.01 -0.58 -0.05 0.00 -0.27 0.00 0.00 62.75 61.84 1j2u n ILE 60 Cb 0.49 1.15 0.01 0.00 -1.74 0.00 0.00 39.64 39.55 1j2u n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j2u n GLY 61 N 0.70 0.49 3.97 3.28 0.00 0.11 -5.04 105.19 108.70 1j2u n GLY 61 Ca 0.08 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1j2u n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2u s ALA 62 N -2.85 4.47 0.10 4.61 0.00 -0.82 -4.71 121.76 122.56 1j2u s ALA 62 Ca 0.10 -1.81 0.09 0.00 0.00 0.00 0.00 51.96 50.34 1j2u s ALA 62 Cb -0.04 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1j2u s ALA 62 CO 0.13 -0.50 -0.22 -0.51 0.00 0.00 0.00 175.76 174.66 1j2u s LEU 63 N -4.39 2.29 -0.18 0.00 1.43 -0.43 -4.68 118.68 112.72 1j2u s LEU 63 Ca 0.52 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1j2u s LEU 63 Cb -0.06 -0.96 -0.00 0.00 0.03 0.00 0.00 46.19 45.20 1j2u s LEU 63 CO 0.32 0.09 -0.12 -0.69 0.23 0.00 0.00 176.35 176.18 1j2u s VAL 64 N -1.10 2.88 0.57 -1.59 1.01 0.20 -0.38 120.40 121.99 1j2u s VAL 64 Ca 0.08 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 1j2u s VAL 64 Cb -0.10 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1j2u s VAL 64 CO 0.04 0.49 1.01 -0.04 0.00 0.00 0.00 175.10 176.60 1j2u s MET 65 N 1.04 3.76 0.22 2.72 -1.94 0.72 -1.02 119.30 124.81 1j2u s MET 65 Ca -0.01 0.86 -0.32 0.00 -1.71 0.00 0.00 55.69 54.52 1j2u s MET 65 Cb -0.15 -2.11 -0.14 0.00 2.01 0.00 0.00 34.83 34.45 1j2u s MET 65 CO -0.02 -0.43 1.34 -2.30 -0.01 0.00 0.00 175.02 173.60 1j2u n PRO 66 N -2.17 1.80 -2.42 2.03 -0.02 -1.26 -4.48 135.00 128.48 1j2u n PRO 66 Ca 0.06 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1j2u n PRO 66 Cb 0.54 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1j2u n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1j2u s GLY 67 N 0.21 2.26 -0.26 -1.23 0.00 -1.26 -4.73 107.32 102.31 1j2u s GLY 67 Ca 0.69 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 45.52 1j2u s GLY 67 CO 0.50 0.69 1.10 1.08 0.00 0.00 0.00 173.10 176.48 1j2u s LEU 68 N -3.87 4.03 0.18 0.66 1.43 -0.38 -4.92 118.68 115.81 1j2u s LEU 68 Ca 0.63 1.29 0.16 0.00 -1.03 0.00 0.00 54.13 55.18 1j2u s LEU 68 Cb -0.13 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1j2u s LEU 68 CO 0.26 -0.79 1.15 1.56 0.23 0.00 0.00 176.35 178.76 1j2u h GLN 69 N 7.92 0.00 -5.35 1.70 1.08 -1.89 0.78 115.11 119.36 1j2u h GLN 69 Ca -0.21 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.36 1j2u h GLN 69 Cb 1.07 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.17 1j2u h GLN 69 CO 1.00 0.39 -0.86 0.71 -0.95 0.00 0.00 178.83 179.12 1j2u s TYR 70 N -2.96 2.18 0.14 2.96 1.51 -1.26 -2.84 117.35 117.08 1j2u s TYR 70 Ca 0.01 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 1j2u s TYR 70 Cb 0.08 -1.47 -0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1j2u s TYR 70 CO 0.78 -0.30 0.00 0.41 -1.11 0.00 0.00 175.55 175.33 1j2u n GLY 71 N 3.37 4.01 3.77 0.71 0.00 -1.18 -4.76 105.19 111.11 1j2u n GLY 71 Ca -0.19 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.26 1j2u n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j2u s TYR 72 N -1.55 2.58 0.02 1.61 5.04 -1.26 -0.38 117.35 123.41 1j2u s TYR 72 Ca 0.00 1.56 -0.38 0.00 -2.44 0.00 0.00 57.07 55.81 1j2u s TYR 72 Cb 0.00 -3.18 -0.18 0.00 0.35 0.00 0.00 41.96 38.95 1j2u s TYR 72 CO 0.00 -1.75 1.30 1.63 -1.34 0.00 0.00 175.55 175.38 1j2u n LYS 73 N -2.51 0.79 -1.87 4.97 5.02 -1.24 -4.75 118.16 118.57 1j2u n LYS 73 Ca 0.10 0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 56.27 1j2u n LYS 73 Cb 0.52 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1j2u n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2u s SER 74 N 0.60 6.49 -0.05 4.39 0.15 -1.26 -4.90 113.70 119.12 1j2u s SER 74 Ca 0.88 2.83 -0.01 0.00 0.70 0.00 0.00 55.95 60.35 1j2u s SER 74 Cb -1.07 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 60.58 1j2u s SER 74 CO 0.52 -0.83 0.00 -1.10 1.20 0.00 0.00 173.24 173.03 1j2u s GLN 75 N -0.43 2.92 0.16 5.44 -1.52 -1.26 -2.16 119.66 122.81 1j2u s GLN 75 Ca 0.62 -0.48 -0.26 0.00 -1.95 0.00 0.00 55.36 53.29 1j2u s GLN 75 Cb -0.45 -2.75 0.02 0.00 -0.22 0.00 0.00 33.01 29.60 1j2u s GLN 75 CO 0.46 0.67 1.57 0.37 -0.25 0.00 0.00 175.29 178.12 1j2u h GLN 76 N 4.84 -0.28 0.00 2.91 4.15 -1.91 0.23 115.11 125.06 1j2u h GLN 76 Ca -0.50 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1j2u h GLN 76 Cb 1.19 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1j2u h GLN 76 CO 0.56 -0.19 0.00 1.63 -1.93 0.00 0.00 178.83 178.90 1j2u n LYS 77 N -5.41 0.06 0.00 1.69 5.02 -1.26 -1.65 118.16 116.61 1j2u n LYS 77 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1j2u n LYS 77 Cb 0.35 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1j2u n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1j2u n SER 78 N -1.77 4.44 -0.08 4.39 3.41 -0.59 -4.74 113.62 118.69 1j2u n SER 78 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1j2u n SER 78 Cb 0.12 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1j2u n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2u n GLY 79 N 2.68 -1.91 1.01 5.00 0.00 0.71 -4.51 105.19 108.16 1j2u n GLY 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1j2u n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2u n GLY 80 N -0.05 2.86 0.00 -0.02 0.00 -0.66 -4.82 105.19 102.50 1j2u n GLY 80 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1j2u n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2u n GLY 81 N 0.00 3.64 0.08 -0.02 0.00 -1.23 -4.39 105.19 103.27 1j2u n GLY 81 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 46.02 44.43 1j2u n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j2u n ASN 82 N 0.00 0.23 0.08 1.61 2.85 -0.92 -3.46 115.26 115.65 1j2u n ASN 82 Ca 0.00 -1.69 0.13 0.00 -0.11 0.00 0.00 54.58 52.90 1j2u n ASN 82 Cb 0.00 -0.02 0.34 0.00 1.24 0.00 0.00 39.78 41.34 1j2u n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j2u n HIS 83 N -0.52 0.70 -2.11 1.20 1.44 -1.26 -4.89 115.22 109.78 1j2u n HIS 83 Ca 0.09 0.20 -0.36 0.00 -2.01 0.00 0.00 57.72 55.64 1j2u n HIS 83 Cb 0.07 -0.79 0.02 0.00 0.12 0.00 0.00 29.99 29.41 1j2u n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j2u s PHE 84 N -3.11 2.53 0.71 -1.40 0.40 -1.22 -5.02 117.98 110.87 1j2u s PHE 84 Ca 0.09 1.52 -0.13 0.00 -0.60 0.00 0.00 56.93 57.81 1j2u s PHE 84 Cb 0.13 -3.43 0.03 0.00 0.51 0.00 0.00 43.02 40.27 1j2u s PHE 84 CO 0.64 -1.97 1.11 -2.14 0.70 0.00 0.00 175.22 173.56 1j2u s PRO 85 N -3.22 2.50 0.00 0.24 0.02 -1.26 -3.91 135.00 129.37 1j2u s PRO 85 Ca 0.74 1.33 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1j2u s PRO 85 Cb -0.29 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1j2u s PRO 85 CO 0.32 -1.48 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1j2u n GLY 86 N -0.72 1.99 3.67 0.52 0.00 -1.26 -4.62 105.19 104.76 1j2u n GLY 86 Ca 0.10 -0.26 -0.50 0.00 0.00 0.00 0.00 46.02 45.36 1j2u n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j2u n THR 87 N 0.00 0.29 -3.81 2.61 -1.04 -1.25 -4.66 114.28 106.42 1j2u n THR 87 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.66 1j2u n THR 87 Cb 0.00 -1.52 -0.15 0.00 -1.82 0.00 0.00 70.33 66.84 1j2u n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1j2u s THR 88 N 2.60 1.07 0.10 12.58 2.01 -0.43 -4.97 115.64 128.60 1j2u s THR 88 Ca 0.89 -1.24 0.07 0.00 0.31 0.00 0.00 61.69 61.72 1j2u s THR 88 Cb -0.79 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1j2u s THR 88 CO 0.50 -0.42 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.44 1j2u s SER 89 N 1.56 4.21 0.29 3.53 0.01 -1.26 -4.41 113.70 117.62 1j2u s SER 89 Ca 0.04 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 1j2u s SER 89 Cb -0.18 -0.74 -0.06 0.00 0.21 0.00 0.00 66.02 65.25 1j2u s SER 89 CO -0.15 0.19 0.58 -0.76 0.41 0.00 0.00 173.24 173.51 1j2u s LEU 90 N -2.09 4.05 0.66 2.44 1.43 0.49 -4.85 118.68 120.80 1j2u s LEU 90 Ca 0.20 0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 53.97 1j2u s LEU 90 Cb -0.11 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1j2u s LEU 90 CO 0.12 -0.19 1.15 -1.81 0.23 0.00 0.00 176.35 175.84 1j2u s ASP 91 N -2.96 4.90 0.18 2.29 -0.00 -1.26 -3.61 116.67 116.22 1j2u s ASP 91 Ca 0.46 2.15 -0.14 0.00 -0.00 0.00 0.00 52.55 55.02 1j2u s ASP 91 Cb -0.11 -2.57 0.17 0.00 -0.00 0.00 0.00 42.92 40.41 1j2u s ASP 91 CO 0.28 -1.78 1.70 1.23 -0.00 0.00 0.00 175.17 176.60 1j2u h GLY 92 N 0.11 0.51 1.40 0.21 0.00 -1.98 -2.01 103.07 101.31 1j2u h GLY 92 Ca -0.48 0.03 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1j2u h GLY 92 CO 0.53 -0.10 0.35 0.00 0.00 0.00 0.00 176.54 177.32 1j2u h ALA 93 N 1.39 1.71 -0.04 3.60 0.00 -1.99 -0.07 119.26 123.87 1j2u h ALA 93 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1j2u h ALA 93 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j2u h ALA 93 CO -0.35 0.24 0.00 1.15 0.00 0.00 0.00 179.25 180.29 1j2u h THR 94 N 0.63 1.23 -0.24 0.00 2.02 -1.75 -0.28 112.91 114.51 1j2u h THR 94 Ca 0.21 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1j2u h THR 94 Cb 0.05 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1j2u h THR 94 CO -0.05 0.19 0.01 0.25 0.37 0.00 0.00 175.52 176.29 1j2u h LEU 95 N -0.19 0.40 -0.43 2.58 5.85 -1.03 -1.39 115.31 121.08 1j2u h LEU 95 Ca 0.01 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.51 1j2u h LEU 95 Cb 0.29 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1j2u h LEU 95 CO 0.00 0.59 0.09 0.74 -0.34 0.00 0.00 178.44 179.52 1j2u h THR 96 N 0.19 0.77 -0.43 1.05 2.02 -1.03 -1.96 112.91 113.53 1j2u h THR 96 Ca 0.07 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1j2u h THR 96 Cb 0.38 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1j2u h THR 96 CO 0.01 0.04 0.10 1.23 0.37 0.00 0.00 175.52 177.27 1j2u h GLY 97 N 0.22 0.69 0.77 2.16 0.00 -0.80 -0.89 103.07 105.22 1j2u h GLY 97 Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1j2u h GLY 97 CO -0.28 0.35 0.01 -0.84 0.00 0.00 0.00 176.54 175.79 1j2u h THR 98 N 0.63 1.21 -0.54 4.70 2.02 -0.75 0.10 112.91 120.27 1j2u h THR 98 Ca 0.14 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1j2u h THR 98 Cb 0.25 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1j2u h THR 98 CO -0.00 0.17 0.36 0.58 0.37 0.00 0.00 175.52 176.99 1j2u h VAL 99 N -0.16 1.13 -0.42 3.16 2.07 -1.13 -2.12 116.25 118.77 1j2u h VAL 99 Ca 0.02 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1j2u h VAL 99 Cb 0.26 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1j2u h VAL 99 CO 0.00 0.13 0.27 -0.61 0.02 0.00 0.00 177.57 177.39 1j2u h GLN 100 N 0.72 0.54 -0.54 1.57 4.15 -1.02 -1.84 115.11 118.70 1j2u h GLN 100 Ca 0.20 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1j2u h GLN 100 Cb -0.07 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1j2u h GLN 100 CO -0.05 0.36 0.25 -0.44 -1.93 0.00 0.00 178.83 177.01 1j2u h ASP 101 N 0.56 0.72 -0.50 -0.69 3.32 -0.80 -1.80 116.42 117.22 1j2u h ASP 101 Ca 0.16 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1j2u h ASP 101 Cb -0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1j2u h ASP 101 CO -0.04 0.66 0.18 0.40 -1.72 0.00 0.00 179.24 178.71 1j2u h ILE 102 N 0.73 1.22 -0.38 0.35 2.04 -1.10 -1.73 117.51 118.63 1j2u h ILE 102 Ca 0.18 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1j2u h ILE 102 Cb 0.14 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1j2u h ILE 102 CO -0.02 0.27 0.18 0.40 0.00 0.00 0.00 178.15 178.98 1j2u h ILE 103 N 0.68 1.17 -0.48 -0.67 2.04 -1.17 -0.28 117.51 118.80 1j2u h ILE 103 Ca 0.16 -0.50 0.10 0.00 1.00 0.00 0.00 64.86 65.62 1j2u h ILE 103 Cb 0.24 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 1j2u h ILE 103 CO -0.01 0.19 -0.09 -0.09 0.00 0.00 0.00 178.15 178.15 1j2u h ARG 104 N 0.48 0.03 -0.31 2.37 2.43 -1.13 -0.70 114.38 117.55 1j2u h ARG 104 Ca 0.13 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1j2u h ARG 104 Cb 0.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1j2u h ARG 104 CO -0.02 0.02 0.01 0.93 -1.51 0.00 0.00 179.97 179.40 1j2u h GLU 105 N 0.03 0.54 -0.57 0.20 4.39 -0.95 -1.31 114.58 116.90 1j2u h GLU 105 Ca 0.23 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.83 1j2u h GLU 105 Cb 0.36 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1j2u h GLU 105 CO -0.47 0.67 0.28 -0.07 -1.16 0.00 0.00 179.01 178.26 1j2u h LEU 106 N 0.34 0.38 -0.94 1.33 3.38 -0.82 -1.52 115.31 117.47 1j2u h LEU 106 Ca 0.09 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1j2u h LEU 106 Cb 0.42 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1j2u h LEU 106 CO 0.01 0.25 0.56 0.00 0.09 0.00 0.00 178.44 179.35 1j2u h ALA 107 N 1.33 1.20 -0.85 1.53 0.00 -0.96 -1.49 119.26 120.02 1j2u h ALA 107 Ca 0.26 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1j2u h ALA 107 Cb 0.21 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1j2u h ALA 107 CO -0.20 0.67 0.56 -0.09 0.00 0.00 0.00 179.25 180.19 1j2u h ARG 108 N 1.30 1.07 0.00 0.00 2.43 -0.53 -0.81 114.38 117.84 1j2u h ARG 108 Ca 0.34 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1j2u h ARG 108 Cb -0.04 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1j2u h ARG 108 CO -0.06 0.71 -0.02 0.45 -1.51 0.00 0.00 179.97 179.53 1j2u h HIS 109 N 1.10 0.00 0.00 2.20 3.86 -0.39 -3.46 115.15 118.47 1j2u h HIS 109 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1j2u h HIS 109 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1j2u h HIS 109 CO -0.00 0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1j2u n GLY 110 N -0.54 0.75 3.78 2.45 0.00 -0.31 -4.98 105.19 106.35 1j2u n GLY 110 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1j2u n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2u s ALA 111 N -2.00 2.74 0.00 4.61 0.00 -0.65 -4.96 121.76 121.50 1j2u s ALA 111 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1j2u s ALA 111 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1j2u s ALA 111 CO 0.00 -0.65 0.12 0.54 0.00 0.00 0.00 175.76 175.77 1j2u n ARG 112 N -1.27 0.00 -3.80 0.00 5.12 -1.26 -4.16 116.66 111.28 1j2u n ARG 112 Ca 0.11 -0.12 -0.25 0.00 -1.93 0.00 0.00 57.85 55.66 1j2u n ARG 112 Cb 0.52 -0.49 -0.17 0.00 -1.16 0.00 0.00 32.46 31.16 1j2u n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1j2u s ARG 113 N 0.00 0.85 -0.02 5.56 0.52 -1.26 -0.93 118.95 123.66 1j2u s ARG 113 Ca 0.00 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1j2u s ARG 113 Cb 0.00 -1.37 0.02 0.00 0.52 0.00 0.00 34.95 34.12 1j2u s ARG 113 CO 0.00 -0.37 -0.03 -1.17 0.02 0.00 0.00 175.30 173.76 1j2u s LEU 114 N 1.88 1.49 -0.22 2.53 2.96 -0.77 -1.24 118.68 125.32 1j2u s LEU 114 Ca 0.04 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1j2u s LEU 114 Cb -0.13 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1j2u s LEU 114 CO -0.06 -0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.21 1j2u s VAL 115 N 0.61 3.53 -0.29 1.68 1.01 0.39 -0.63 120.40 126.69 1j2u s VAL 115 Ca -0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1j2u s VAL 115 Cb -0.10 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1j2u s VAL 115 CO -0.01 0.42 0.27 -0.76 0.00 0.00 0.00 175.10 175.02 1j2u s LEU 116 N 1.39 4.13 -0.40 3.92 1.43 0.27 -0.15 118.68 129.27 1j2u s LEU 116 Ca 0.05 0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1j2u s LEU 116 Cb -0.14 -2.24 0.07 0.00 0.03 0.00 0.00 46.19 43.91 1j2u s LEU 116 CO -0.02 -0.14 0.22 -0.32 0.23 0.00 0.00 176.35 176.32 1j2u s MET 117 N 1.88 2.55 0.14 1.70 1.75 -0.15 -1.69 119.30 125.48 1j2u s MET 117 Ca 0.10 -1.44 -0.27 0.00 -1.25 0.00 0.00 55.69 52.83 1j2u s MET 117 Cb -0.16 -3.70 -0.07 0.00 2.84 0.00 0.00 34.83 33.74 1j2u s MET 117 CO 0.11 -0.91 0.83 1.21 -0.65 0.00 0.00 175.02 175.61 1j2u s ASN 118 N 1.95 7.41 0.00 1.11 2.47 0.17 -1.03 114.94 127.02 1j2u s ASN 118 Ca 0.03 1.68 0.01 0.00 0.42 0.00 0.00 52.86 54.99 1j2u s ASN 118 Cb -0.22 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1j2u s ASN 118 CO 0.02 0.11 0.43 0.61 -3.72 0.00 0.00 177.10 174.55 1j2u n GLY 119 N 1.86 -1.04 2.87 1.21 0.00 0.10 -3.38 105.19 106.83 1j2u n GLY 119 Ca -0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1j2u n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j2u s HIS 120 N -0.21 1.70 0.24 1.61 5.65 -1.25 -4.66 115.29 118.37 1j2u s HIS 120 Ca 0.01 -1.15 -0.10 0.00 0.25 0.00 0.00 55.06 54.07 1j2u s HIS 120 Cb 0.00 -1.31 0.36 0.00 -1.18 0.00 0.00 32.58 30.46 1j2u s HIS 120 CO 0.01 -0.64 1.60 -0.92 -0.65 0.00 0.00 174.74 174.14 1j2u h TYR 121 N 8.11 -0.37 0.00 3.88 3.20 -1.94 -1.20 116.97 128.65 1j2u h TYR 121 Ca -0.22 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1j2u h TYR 121 Cb 1.11 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1j2u h TYR 121 CO 0.43 -0.34 0.00 0.93 -1.64 0.00 0.00 178.16 177.55 1j2u h GLU 122 N 0.01 0.00 0.00 1.82 3.07 -1.90 -3.09 114.58 114.49 1j2u h GLU 122 Ca 0.39 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1j2u h GLU 122 Cb 0.62 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1j2u h GLU 122 CO -0.81 0.00 -0.11 -0.91 -1.40 0.00 0.00 179.01 175.78 1j2u h ASN 123 N 0.00 0.00 -0.31 1.42 2.35 -1.53 -3.40 115.58 114.10 1j2u h ASN 123 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1j2u h ASN 123 Cb 0.21 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.50 1j2u h ASN 123 CO 0.00 0.11 -0.29 0.28 -1.65 0.00 0.00 177.43 175.88 1j2u h SER 124 N 0.00 -0.95 0.87 5.81 0.02 -1.73 -1.59 113.55 115.99 1j2u h SER 124 Ca -0.00 0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1j2u h SER 124 Cb 0.54 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1j2u h SER 124 CO 0.01 -0.31 -0.31 0.24 -1.14 0.00 0.00 176.83 175.33 1j2u h MET 125 N -0.27 0.00 0.00 3.45 2.86 -1.88 -1.64 114.93 117.46 1j2u h MET 125 Ca 0.15 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.63 1j2u h MET 125 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1j2u h MET 125 CO -0.46 0.31 -0.78 0.74 1.06 0.00 0.00 176.91 177.78 1j2u h PHE 126 N 0.00 0.00 -0.24 -0.22 -1.00 -1.62 -1.29 116.94 112.57 1j2u h PHE 126 Ca -0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1j2u h PHE 126 Cb 0.83 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 1j2u h PHE 126 CO 0.00 0.78 -0.01 0.82 -1.61 0.00 0.00 178.31 178.30 1j2u h ILE 127 N 0.00 1.26 -0.54 -0.55 2.04 -0.94 -1.85 117.51 116.93 1j2u h ILE 127 Ca -0.01 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.00 1j2u h ILE 127 Cb 1.52 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.92 1j2u h ILE 127 CO 0.10 0.29 0.23 0.58 0.00 0.00 0.00 178.15 179.35 1j2u h VAL 128 N 0.21 0.86 -0.52 1.67 2.07 -1.11 -0.90 116.25 118.53 1j2u h VAL 128 Ca 0.07 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1j2u h VAL 128 Cb 0.42 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1j2u h VAL 128 CO 0.01 0.08 0.06 -0.08 0.02 0.00 0.00 177.57 177.66 1j2u h GLU 129 N 0.43 0.88 -0.59 1.57 4.57 -1.16 -1.43 114.58 118.86 1j2u h GLU 129 Ca 0.26 -0.25 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1j2u h GLU 129 Cb 0.24 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1j2u h GLU 129 CO -0.23 0.88 0.31 0.78 -1.18 0.00 0.00 179.01 179.57 1j2u h GLY 130 N 0.76 0.84 0.96 1.92 0.00 -0.88 -0.81 103.07 105.86 1j2u h GLY 130 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1j2u h GLY 130 CO 0.02 0.13 0.16 -2.22 0.00 0.00 0.00 176.54 174.62 1j2u h ILE 131 N 0.58 1.12 -0.42 2.60 2.04 -0.96 -1.45 117.51 121.03 1j2u h ILE 131 Ca 0.26 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1j2u h ILE 131 Cb 0.17 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1j2u h ILE 131 CO -0.18 0.12 0.25 -0.78 0.00 0.00 0.00 178.15 177.57 1j2u h ASP 132 N 0.34 0.50 -0.50 1.72 1.82 -0.81 0.58 116.42 120.08 1j2u h ASP 132 Ca 0.10 -0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.62 1j2u h ASP 132 Cb 0.05 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 1j2u h ASP 132 CO -0.02 0.40 0.05 -0.07 -1.61 0.00 0.00 179.24 177.99 1j2u h LEU 133 N 0.55 0.86 -0.33 2.28 3.38 -1.07 -0.26 115.31 120.73 1j2u h LEU 133 Ca 0.15 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1j2u h LEU 133 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1j2u h LEU 133 CO -0.03 0.90 -0.14 0.00 0.09 0.00 0.00 178.44 179.26 1j2u h ALA 134 N 1.20 0.46 -0.59 1.53 0.00 -0.91 -2.50 119.26 118.45 1j2u h ALA 134 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1j2u h ALA 134 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1j2u h ALA 134 CO 0.02 0.35 0.25 -0.07 0.00 0.00 0.00 179.25 179.79 1j2u h LEU 135 N 0.44 0.77 -0.46 0.00 3.38 -0.68 -1.84 115.31 116.91 1j2u h LEU 135 Ca 0.08 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1j2u h LEU 135 Cb 0.66 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1j2u h LEU 135 CO 0.04 0.68 0.25 -0.09 0.09 0.00 0.00 178.44 179.41 1j2u h ARG 136 N 0.83 0.48 -0.65 1.13 2.43 -0.92 -0.36 114.38 117.31 1j2u h ARG 136 Ca 0.20 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1j2u h ARG 136 Cb 0.14 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1j2u h ARG 136 CO -0.02 0.32 0.17 0.93 -1.51 0.00 0.00 179.97 179.85 1j2u h GLU 137 N 0.49 1.04 -0.74 0.20 5.08 -1.04 -2.57 114.58 117.05 1j2u h GLU 137 Ca 0.20 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1j2u h GLU 137 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1j2u h GLU 137 CO -0.12 0.93 0.27 -0.07 -1.00 0.00 0.00 179.01 179.02 1j2u h LEU 138 N 0.97 1.03 -1.71 1.33 3.38 -0.91 -2.21 115.31 117.18 1j2u h LEU 138 Ca 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1j2u h LEU 138 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1j2u h LEU 138 CO 0.00 0.93 0.00 -0.09 0.09 0.00 0.00 178.44 179.37 1j2u h ARG 139 N 1.08 0.18 0.00 1.13 9.65 -0.78 0.30 114.38 125.94 1j2u h ARG 139 Ca 0.24 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1j2u h ARG 139 Cb 0.24 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1j2u h ARG 139 CO -0.02 0.20 -0.04 1.88 2.80 0.00 0.00 179.97 184.80 1j2u h TYR 140 N 0.18 0.00 -0.62 2.20 0.05 -1.00 -1.13 116.97 116.65 1j2u h TYR 140 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1j2u h TYR 140 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1j2u h TYR 140 CO 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.15 1j2u n ALA 141 N -2.46 2.98 -0.98 3.88 0.00 -0.06 -4.91 120.51 118.95 1j2u n ALA 141 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1j2u n ALA 141 Cb 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1j2u n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j2u n GLY 142 N 1.16 0.44 3.66 0.00 0.00 -0.43 -5.00 105.19 105.03 1j2u n GLY 142 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1j2u n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2u s ILE 143 N -2.01 4.97 0.00 -0.61 1.01 -0.28 -4.90 121.20 119.37 1j2u s ILE 143 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1j2u s ILE 143 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1j2u s ILE 143 CO 0.00 0.07 0.71 0.00 0.00 0.00 0.00 174.94 175.72 1j2u n GLN 144 N 5.20 1.25 -0.19 2.79 6.02 -1.26 -3.29 117.38 127.89 1j2u n GLN 144 Ca 0.01 -0.92 0.09 0.00 -0.01 0.00 0.00 57.00 56.17 1j2u n GLN 144 Cb 0.49 -0.71 0.19 0.00 1.02 0.00 0.00 30.24 31.23 1j2u n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1j2u n ASP 145 N -0.21 3.15 -4.63 1.08 3.85 -1.26 -4.87 116.55 113.65 1j2u n ASP 145 Ca 0.00 -1.92 -0.42 0.00 -0.71 0.00 0.00 54.79 51.74 1j2u n ASP 145 Cb 0.39 -0.25 -0.04 0.00 -1.35 0.00 0.00 41.12 39.87 1j2u n ASP 145 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1j2u s PHE 146 N -1.13 3.25 -0.06 2.11 2.19 -1.26 -4.79 117.98 118.29 1j2u s PHE 146 Ca 0.31 1.07 0.05 0.00 0.33 0.00 0.00 56.93 58.69 1j2u s PHE 146 Cb 0.17 -3.23 -0.02 0.00 -1.31 0.00 0.00 43.02 38.63 1j2u s PHE 146 CO 0.24 -0.52 -0.21 0.21 1.83 0.00 0.00 175.22 176.76 1j2u s LYS 147 N 3.05 2.62 -0.08 10.12 2.20 -0.11 -5.02 119.74 132.53 1j2u s LYS 147 Ca 0.37 -0.83 0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1j2u s LYS 147 Cb -0.14 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1j2u s LYS 147 CO 0.10 0.42 -0.21 0.08 -0.36 0.00 0.00 175.35 175.39 1j2u s VAL 148 N -0.25 1.79 -0.19 4.02 1.01 -1.26 -1.84 120.40 123.67 1j2u s VAL 148 Ca -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1j2u s VAL 148 Cb -0.13 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1j2u s VAL 148 CO 0.03 0.50 -0.01 -0.69 0.00 0.00 0.00 175.10 174.93 1j2u s VAL 149 N 0.29 3.92 -0.08 2.92 1.01 0.20 -5.00 120.40 123.66 1j2u s VAL 149 Ca -0.14 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1j2u s VAL 149 Cb -0.16 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1j2u s VAL 149 CO 0.06 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1j2u s VAL 150 N 0.89 2.67 -0.02 2.92 1.01 -1.26 -0.56 120.40 126.05 1j2u s VAL 150 Ca 0.01 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1j2u s VAL 150 Cb -0.14 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1j2u s VAL 150 CO 0.02 0.56 0.38 -1.48 0.00 0.00 0.00 175.10 174.58 1j2u s LEU 151 N -0.19 0.58 -0.25 3.92 0.05 -0.69 -4.98 118.68 117.13 1j2u s LEU 151 Ca -0.01 0.19 -0.11 0.00 0.05 0.00 0.00 54.13 54.25 1j2u s LEU 151 Cb -0.13 1.49 -0.05 0.00 -2.05 0.00 0.00 46.19 45.45 1j2u s LEU 151 CO 0.03 -0.48 0.17 -0.44 -0.55 0.00 0.00 176.35 175.09 1j2u s SER 152 N -1.31 6.10 0.54 1.48 0.01 -1.26 -0.66 113.70 118.60 1j2u s SER 152 Ca -0.13 0.09 0.23 0.00 1.31 0.00 0.00 55.95 57.45 1j2u s SER 152 Cb -0.04 -2.11 1.41 0.00 0.21 0.00 0.00 66.02 65.48 1j2u s SER 152 CO 0.05 0.03 2.07 0.10 0.41 0.00 0.00 173.24 175.90 1j2u h TYR 153 N 7.71 0.00 0.00 2.43 -0.00 -1.93 -1.31 116.97 123.87 1j2u h TYR 153 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.36 1j2u h TYR 153 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 1j2u h TYR 153 CO 0.69 0.00 0.00 0.11 -0.00 0.00 0.00 178.16 178.96 1j2u h TRP 154 N 0.00 0.00 0.00 0.10 0.09 -1.95 -2.56 115.95 111.64 1j2u h TRP 154 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.12 1j2u h TRP 154 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.82 1j2u h TRP 154 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.28 1j2u n ASP 155 N -3.06 0.52 -0.34 0.11 8.00 -0.50 -1.51 116.55 119.78 1j2u n ASP 155 Ca 0.01 0.67 0.14 0.00 0.71 0.00 0.00 54.79 56.32 1j2u n ASP 155 Cb 0.31 -0.76 0.64 0.00 -0.02 0.00 0.00 41.12 41.29 1j2u n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1j2u n PHE 156 N -2.12 0.01 -3.36 1.24 3.01 -0.96 -4.38 117.46 110.89 1j2u n PHE 156 Ca 0.01 -0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 1j2u n PHE 156 Cb 0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 1j2u n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j2u s VAL 157 N -1.99 5.67 -0.04 -4.37 1.01 -0.57 -4.68 120.40 115.43 1j2u s VAL 157 Ca 0.41 -2.97 0.03 0.00 0.00 0.00 0.00 61.98 59.45 1j2u s VAL 157 Cb 0.21 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1j2u s VAL 157 CO 0.34 -1.09 0.00 0.29 0.00 0.00 0.00 175.10 174.64 1j2u n LYS 158 N 3.33 2.93 -1.75 2.72 4.76 -1.26 -4.94 118.16 123.94 1j2u n LYS 158 Ca 0.18 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 1j2u n LYS 158 Cb 0.43 -1.09 -0.03 0.00 -1.84 0.00 0.00 35.03 32.50 1j2u n LYS 158 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1j2u s ASP 159 N -3.59 5.84 0.49 4.39 -1.08 -1.26 -4.83 116.67 116.63 1j2u s ASP 159 Ca -0.02 1.90 0.29 0.00 -0.52 0.00 0.00 52.55 54.20 1j2u s ASP 159 Cb 0.01 -2.52 1.37 0.00 -1.46 0.00 0.00 42.92 40.32 1j2u s ASP 159 CO 0.14 -1.66 1.81 1.55 0.52 0.00 0.00 175.17 177.53 1j2u h PRO 160 N 13.29 0.14 -0.55 4.34 0.13 -1.97 1.47 132.00 148.85 1j2u h PRO 160 Ca -0.40 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 1j2u h PRO 160 Cb 1.22 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1j2u h PRO 160 CO 0.97 0.09 0.12 0.00 -0.23 0.00 0.00 178.00 178.96 1j2u h ALA 161 N 1.51 1.18 -0.05 -0.56 0.00 -1.99 0.52 119.26 119.88 1j2u h ALA 161 Ca 0.55 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1j2u h ALA 161 Cb 1.88 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1j2u h ALA 161 CO -0.11 0.55 -0.19 0.28 0.00 0.00 0.00 179.25 179.78 1j2u h VAL 162 N 0.81 1.46 -0.67 0.00 2.07 0.15 -2.40 116.25 117.67 1j2u h VAL 162 Ca 0.18 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 66.11 1j2u h VAL 162 Cb 0.32 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1j2u h VAL 162 CO 0.00 0.46 0.44 0.40 0.02 0.00 0.00 177.57 178.89 1j2u h ILE 163 N -0.34 1.03 -0.53 4.57 1.08 -0.14 -0.34 117.51 122.85 1j2u h ILE 163 Ca -0.01 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1j2u h ILE 163 Cb 0.84 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1j2u h ILE 163 CO 0.04 0.13 0.23 -0.61 -0.69 0.00 0.00 178.15 177.25 1j2u h GLN 164 N 0.72 0.78 -0.61 2.37 4.15 0.10 0.43 115.11 123.04 1j2u h GLN 164 Ca 0.28 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1j2u h GLN 164 Cb 0.21 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1j2u h GLN 164 CO -0.09 0.67 0.36 1.96 -1.93 0.00 0.00 178.83 179.80 1j2u h GLN 165 N 0.71 0.83 0.05 1.69 4.20 -0.62 -3.04 115.11 118.92 1j2u h GLN 165 Ca 0.18 -0.08 -0.23 0.00 0.06 0.00 0.00 58.65 58.58 1j2u h GLN 165 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1j2u h GLN 165 CO -0.02 0.60 -1.03 -0.07 -0.67 0.00 0.00 178.83 177.64 1j2u h LEU 166 N 0.82 0.32 -7.00 1.46 3.38 -0.81 -3.40 115.31 110.08 1j2u h LEU 166 Ca 0.22 -0.30 -0.61 0.00 0.09 0.00 0.00 57.88 57.28 1j2u h LEU 166 Cb -0.01 -0.10 -0.40 0.00 0.09 0.00 0.00 40.66 40.24 1j2u h LEU 166 CO -0.04 1.16 -0.73 -0.31 0.09 0.00 0.00 178.44 178.61 1j2u s TYR 167 N -2.95 2.04 0.05 1.13 1.51 0.15 -4.97 117.35 114.30 1j2u s TYR 167 Ca -0.03 -2.46 -0.03 0.00 -1.01 0.00 0.00 57.07 53.54 1j2u s TYR 167 Cb 0.09 -1.92 -0.28 0.00 -0.11 0.00 0.00 41.96 39.74 1j2u s TYR 167 CO 0.85 -0.78 1.03 -1.00 -1.11 0.00 0.00 175.55 174.54 1j2u h PRO 168 N 6.70 0.24 0.00 -1.71 0.14 -1.76 -3.30 132.00 132.31 1j2u h PRO 168 Ca -0.01 -0.41 -0.11 0.00 0.14 0.00 0.00 66.00 65.62 1j2u h PRO 168 Cb 0.92 0.15 -0.02 0.00 0.14 0.00 0.00 31.00 32.20 1j2u h PRO 168 CO 0.49 1.14 -0.51 0.93 0.14 0.00 0.00 178.00 180.20 1j2u h GLU 169 N 0.07 0.00 0.00 0.86 4.39 -1.93 -3.48 114.58 114.49 1j2u h GLU 169 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1j2u h GLU 169 Cb 1.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1j2u h GLU 169 CO 0.18 0.51 0.00 0.41 -1.16 0.00 0.00 179.01 178.95 1j2u n GLY 170 N 0.30 4.32 3.86 -3.84 0.00 -1.24 -5.14 105.19 103.44 1j2u n GLY 170 Ca -0.01 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 1j2u n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j2u s PHE 171 N -1.43 3.62 -1.60 1.61 5.36 -1.26 -4.88 117.98 119.39 1j2u s PHE 171 Ca 0.00 0.63 0.16 0.00 -0.96 0.00 0.00 56.93 56.76 1j2u s PHE 171 Cb 0.00 -2.05 0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1j2u s PHE 171 CO 0.00 0.68 0.89 1.28 -1.46 0.00 0.00 175.22 176.61 1j2u n LEU 172 N 2.07 1.80 0.00 6.12 7.99 -1.26 -5.10 117.00 128.62 1j2u n LEU 172 Ca -0.18 -0.83 0.00 0.00 -0.01 0.00 0.00 56.01 54.99 1j2u n LEU 172 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 1j2u n LEU 172 CO 0.33 0.34 0.00 0.61 -1.51 0.00 0.00 177.39 177.16 1j2u n GLY 173 N 1.08 2.35 0.03 -0.72 0.00 -1.26 -4.84 105.19 101.83 1j2u n GLY 173 Ca 0.07 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.23 1j2u n GLY 173 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1j2u n TRP 174 N 0.70 0.27 2.00 1.61 5.03 -1.26 -3.98 117.44 121.81 1j2u n TRP 174 Ca 0.00 0.08 0.16 0.00 3.03 0.00 0.00 57.50 60.77 1j2u n TRP 174 Cb 0.00 -0.53 0.95 0.00 -1.03 0.00 0.00 31.31 30.70 1j2u n TRP 174 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1j2u n ASP 175 N -1.76 0.00 0.00 -0.99 10.43 -1.26 -2.93 116.55 120.04 1j2u n ASP 175 Ca 0.05 -1.00 0.00 0.00 2.57 0.00 0.00 54.79 56.42 1j2u n ASP 175 Cb 0.37 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.33 1j2u n ASP 175 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 1j2u n ILE 176 N -1.00 0.24 -0.79 0.53 -5.35 -1.26 -4.64 119.36 107.10 1j2u n ILE 176 Ca 0.24 -0.51 -0.09 0.00 -0.27 0.00 0.00 62.75 62.13 1j2u n ILE 176 Cb 0.11 1.04 -0.04 0.00 -1.74 0.00 0.00 39.64 39.01 1j2u n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1j2u n GLU 177 N -0.12 1.53 -3.47 6.28 -0.58 -1.15 -2.80 120.64 120.32 1j2u n GLU 177 Ca 0.00 -0.75 -0.42 0.00 -0.42 0.00 0.00 57.16 55.56 1j2u n GLU 177 Cb 0.13 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.43 1j2u n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1j2u s HIS 178 N -0.24 3.23 -1.09 -0.32 5.65 -1.26 -4.32 115.29 116.95 1j2u s HIS 178 Ca 0.28 -0.46 0.00 0.00 0.25 0.00 0.00 55.06 55.13 1j2u s HIS 178 Cb 0.16 -2.57 0.00 0.00 -1.18 0.00 0.00 32.58 28.99 1j2u s HIS 178 CO -0.02 -0.52 0.00 0.41 -0.65 0.00 0.00 174.74 173.96 1j2u n GLY 179 N 5.14 1.17 0.00 1.59 0.00 -1.26 -2.09 105.19 109.74 1j2u n GLY 179 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1j2u n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2u n GLY 180 N -1.71 1.69 0.29 -0.02 0.00 -1.26 -4.33 105.19 99.85 1j2u n GLY 180 Ca -0.10 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 43.99 1j2u n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j2u h VAL 181 N 0.00 1.18 0.72 1.61 2.07 -1.85 -1.69 116.25 118.29 1j2u h VAL 181 Ca 0.00 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1j2u h VAL 181 Cb 0.00 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1j2u h VAL 181 CO 0.00 0.18 -0.35 0.15 0.02 0.00 0.00 177.57 177.58 1j2u h PHE 182 N 1.00 -0.89 -0.51 1.57 3.04 -1.95 -1.36 116.94 117.84 1j2u h PHE 182 Ca 0.28 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.11 1j2u h PHE 182 Cb -0.09 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1j2u h PHE 182 CO -0.02 -0.53 -0.07 0.93 -2.02 0.00 0.00 178.31 176.60 1j2u h GLU 183 N -1.10 0.94 -0.64 1.11 5.08 -1.83 -2.50 114.58 115.64 1j2u h GLU 183 Ca -0.10 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 1j2u h GLU 183 Cb 0.76 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1j2u h GLU 183 CO 0.16 1.00 0.16 1.15 -1.00 0.00 0.00 179.01 180.48 1j2u h THR 184 N 0.81 1.26 -0.51 1.13 2.02 -1.35 -0.34 112.91 115.93 1j2u h THR 184 Ca 0.14 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1j2u h THR 184 Cb 0.61 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1j2u h THR 184 CO 0.04 0.35 0.23 0.28 0.37 0.00 0.00 175.52 176.79 1j2u h SER 185 N 0.95 0.69 -0.71 4.18 0.02 -1.17 0.75 113.55 118.27 1j2u h SER 185 Ca 0.20 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1j2u h SER 185 Cb 0.36 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1j2u h SER 185 CO 0.00 0.64 0.46 -0.07 -1.14 0.00 0.00 176.83 176.72 1j2u h LEU 186 N 0.69 0.82 -1.06 5.07 3.38 -1.12 -1.88 115.31 121.21 1j2u h LEU 186 Ca 0.17 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1j2u h LEU 186 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1j2u h LEU 186 CO -0.02 0.61 -0.13 0.24 0.09 0.00 0.00 178.44 179.23 1j2u h MET 187 N 0.96 0.51 -0.30 1.13 2.86 -0.62 -1.35 114.93 118.13 1j2u h MET 187 Ca 0.26 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1j2u h MET 187 Cb -0.09 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1j2u h MET 187 CO -0.05 0.64 -0.13 -0.07 1.06 0.00 0.00 176.91 178.36 1j2u h LEU 188 N 0.47 0.49 0.02 1.22 3.38 -0.20 0.18 115.31 120.87 1j2u h LEU 188 Ca 0.09 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 1j2u h LEU 188 Cb 0.51 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1j2u h LEU 188 CO 0.03 0.65 -1.09 0.00 0.09 0.00 0.00 178.44 178.12 1j2u h ALA 189 N 1.40 0.11 0.04 1.53 0.00 -0.94 -3.34 119.26 118.06 1j2u h ALA 189 Ca 0.09 -0.72 -0.38 0.00 0.00 0.00 0.00 54.91 53.90 1j2u h ALA 189 Cb 0.50 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1j2u h ALA 189 CO 0.03 0.69 -2.20 1.28 0.00 0.00 0.00 179.25 179.05 1j2u n LEU 190 N -3.83 2.60 -3.18 0.00 4.77 -0.55 -4.76 117.00 112.04 1j2u n LEU 190 Ca -0.11 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 1j2u n LEU 190 Cb 0.91 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1j2u n LEU 190 CO 0.56 0.79 -0.22 -1.22 -1.33 0.00 0.00 177.39 175.97 1j2u n TYR 191 N -3.61 0.38 0.15 -1.77 4.01 0.61 -4.97 117.16 111.96 1j2u n TYR 191 Ca -0.41 -3.75 0.16 0.00 -0.16 0.00 0.00 57.90 53.74 1j2u n TYR 191 Cb 0.96 -0.40 0.75 0.00 -0.31 0.00 0.00 39.34 40.34 1j2u n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j2u h PRO 192 N 3.43 0.00 0.00 -0.72 0.13 -1.63 0.50 132.00 133.71 1j2u h PRO 192 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1j2u h PRO 192 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1j2u h PRO 192 CO 0.52 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 1j2u n ASP 193 N -4.11 0.66 -1.22 1.44 10.43 -1.26 -2.25 116.55 120.23 1j2u n ASP 193 Ca 0.03 0.68 0.12 0.00 2.57 0.00 0.00 54.79 58.19 1j2u n ASP 193 Cb 0.37 -0.81 0.26 0.00 1.84 0.00 0.00 41.12 42.77 1j2u n ASP 193 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1j2u n LEU 194 N -2.25 3.66 -4.02 0.64 4.77 0.17 -4.88 117.00 115.08 1j2u n LEU 194 Ca 0.01 -1.72 -0.22 0.00 -0.03 0.00 0.00 56.01 54.06 1j2u n LEU 194 Cb 0.20 -0.35 -0.16 0.00 -2.33 0.00 0.00 43.42 40.78 1j2u n LEU 194 CO 0.18 0.85 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.94 1j2u s VAL 195 N -1.26 0.92 -0.41 4.08 1.01 -0.95 -2.99 120.40 120.79 1j2u s VAL 195 Ca 0.42 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1j2u s VAL 195 Cb 0.24 -0.82 0.12 0.00 0.00 0.00 0.00 36.38 35.92 1j2u s VAL 195 CO 0.32 0.28 0.18 -0.62 0.00 0.00 0.00 175.10 175.26 1j2u s ASP 196 N 0.22 4.12 0.58 3.32 2.15 -0.38 -4.94 116.67 121.72 1j2u s ASP 196 Ca -0.04 -2.43 0.27 0.00 0.43 0.00 0.00 52.55 50.78 1j2u s ASP 196 Cb -0.10 -1.27 1.59 0.00 -0.30 0.00 0.00 42.92 42.84 1j2u s ASP 196 CO 0.01 -0.31 2.08 0.25 -0.17 0.00 0.00 175.17 177.03 1j2u h LEU 197 N 7.12 0.00 -1.40 -1.34 5.85 -1.96 -0.33 115.31 123.25 1j2u h LEU 197 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1j2u h LEU 197 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1j2u h LEU 197 CO 0.54 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.08 1j2u h ASP 198 N 0.00 0.00 0.08 1.25 5.19 -1.95 -2.28 116.42 118.72 1j2u h ASP 198 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1j2u h ASP 198 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1j2u h ASP 198 CO -0.00 0.00 -0.22 0.54 -3.12 0.00 0.00 179.24 176.44 1j2u n ARG 199 N -2.60 1.30 -1.69 3.56 1.74 -0.13 -4.93 116.66 113.91 1j2u n ARG 199 Ca 0.00 -0.91 -0.45 0.00 -0.77 0.00 0.00 57.85 55.73 1j2u n ARG 199 Cb 0.19 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1j2u n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1j2u n VAL 200 N -0.06 0.10 -3.33 1.55 0.31 -0.86 -4.35 118.33 111.69 1j2u n VAL 200 Ca 0.13 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 1j2u n VAL 200 Cb 0.41 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 1j2u n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1j2u s VAL 201 N 0.89 5.11 -1.22 2.52 1.01 -1.26 -5.01 120.40 122.43 1j2u s VAL 201 Ca 0.77 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 1j2u s VAL 201 Cb -0.62 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 31.74 1j2u s VAL 201 CO 0.37 -0.49 1.69 -0.62 0.00 0.00 0.00 175.10 176.06 1j2u s ASP 202 N 2.05 6.63 0.29 3.32 2.15 -1.26 -4.79 116.67 125.05 1j2u s ASP 202 Ca 0.10 -2.15 0.07 0.00 0.43 0.00 0.00 52.55 51.00 1j2u s ASP 202 Cb -0.19 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 1j2u s ASP 202 CO 0.12 -1.38 0.32 -1.38 -0.17 0.00 0.00 175.17 172.67 1j2u s HIS 203 N 4.89 3.14 0.60 -5.34 -3.43 -1.26 -5.06 115.29 108.84 1j2u s HIS 203 Ca 0.53 -0.16 -0.17 0.00 -0.80 0.00 0.00 55.06 54.46 1j2u s HIS 203 Cb 0.03 -1.66 -0.03 0.00 -1.43 0.00 0.00 32.58 29.49 1j2u s HIS 203 CO 0.04 0.31 1.14 -1.25 -2.00 0.00 0.00 174.74 172.98 1j2u s PRO 204 N -3.98 3.02 0.29 -0.38 0.04 -1.26 -4.15 135.00 128.58 1j2u s PRO 204 Ca 0.38 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 1j2u s PRO 204 Cb -0.08 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1j2u s PRO 204 CO 0.28 -1.11 1.35 -2.30 0.04 0.00 0.00 177.00 175.26 1j2u n PRO 205 N -1.85 2.07 -2.08 0.56 -0.02 -1.26 -4.85 135.00 127.57 1j2u n PRO 205 Ca 0.11 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 1j2u n PRO 205 Cb 0.51 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1j2u n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2u s ALA 206 N -0.53 3.51 0.10 3.55 0.00 -0.43 -5.03 121.76 122.93 1j2u s ALA 206 Ca 0.62 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.94 1j2u s ALA 206 Cb -0.61 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 1j2u s ALA 206 CO 0.55 -0.69 -0.15 0.95 0.00 0.00 0.00 175.76 176.43 1j2u s THR 207 N -1.10 1.28 0.05 0.00 -4.23 -1.26 -4.97 115.64 105.40 1j2u s THR 207 Ca 0.50 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1j2u s THR 207 Cb -0.41 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 1j2u s THR 207 CO 0.54 -0.30 0.05 -0.36 -0.54 0.00 0.00 174.62 174.01 1j2u s PHE 208 N -1.69 0.32 0.89 3.99 0.40 -1.26 -5.06 117.98 115.56 1j2u s PHE 208 Ca 0.04 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 1j2u s PHE 208 Cb -0.07 -0.23 0.12 0.00 0.51 0.00 0.00 43.02 43.35 1j2u s PHE 208 CO 0.03 -0.38 1.11 -1.25 0.70 0.00 0.00 175.22 175.43 1j2u s PRO 209 N -3.17 1.35 0.00 0.24 0.04 -1.26 -4.90 135.00 127.31 1j2u s PRO 209 Ca -0.00 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1j2u s PRO 209 Cb 0.02 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1j2u s PRO 209 CO -0.07 -2.10 1.78 -0.35 0.04 0.00 0.00 177.00 176.30 1j2u n PRO 210 N -3.74 0.99 -3.86 0.56 -0.04 -1.26 -4.77 135.00 122.88 1j2u n PRO 210 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1j2u n PRO 210 Cb 0.57 -1.01 -0.04 0.00 -0.04 0.00 0.00 33.50 32.98 1j2u n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j2u s TYR 211 N 0.02 0.08 0.16 0.54 -0.85 -1.26 -5.18 117.35 110.87 1j2u s TYR 211 Ca 0.00 -0.45 0.09 0.00 -0.52 0.00 0.00 57.07 56.19 1j2u s TYR 211 Cb 0.00 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 1j2u s TYR 211 CO 0.00 -0.97 -0.21 -0.51 -1.52 0.00 0.00 175.55 172.35 1j2u s ASP 212 N -2.94 2.89 -0.04 -0.18 1.11 -1.26 -5.09 116.67 111.16 1j2u s ASP 212 Ca 0.15 -0.83 0.04 0.00 0.18 0.00 0.00 52.55 52.09 1j2u s ASP 212 Cb -0.01 -0.18 -0.00 0.00 1.07 0.00 0.00 42.92 43.79 1j2u s ASP 212 CO 0.03 0.03 -0.18 -0.69 1.18 0.00 0.00 175.17 175.54 1j2u s VAL 213 N -1.78 1.47 -0.01 -1.27 1.01 -1.26 -5.14 120.40 113.43 1j2u s VAL 213 Ca 0.16 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1j2u s VAL 213 Cb -0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1j2u s VAL 213 CO 0.07 0.42 -0.10 -0.36 0.00 0.00 0.00 175.10 175.13 1j2u s PHE 214 N -0.01 0.93 0.61 5.22 0.08 -1.26 -3.53 117.98 120.02 1j2u s PHE 214 Ca -0.03 -0.18 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 1j2u s PHE 214 Cb -0.11 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 1j2u s PHE 214 CO 0.02 -0.02 1.25 -1.25 -0.10 0.00 0.00 175.22 175.11 1j2u s PRO 215 N -0.20 2.81 0.27 0.24 0.04 -1.26 -5.08 135.00 131.83 1j2u s PRO 215 Ca 0.03 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1j2u s PRO 215 Cb -0.04 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1j2u s PRO 215 CO -0.00 -1.36 1.61 0.54 0.04 0.00 0.00 177.00 177.83 1j2u s VAL 216 N -1.50 2.11 -0.46 -0.36 0.11 -1.23 -4.95 120.40 114.11 1j2u s VAL 216 Ca 0.79 0.09 -0.19 0.00 -2.93 0.00 0.00 61.98 59.75 1j2u s VAL 216 Cb -0.33 -3.06 0.04 0.00 -1.53 0.00 0.00 36.38 31.50 1j2u s VAL 216 CO 0.36 0.01 0.56 -0.62 -3.33 0.00 0.00 175.10 172.09 1j2u s ASP 217 N 0.66 6.24 0.55 3.54 3.68 -1.26 -4.96 116.67 125.12 1j2u s ASP 217 Ca 0.66 -0.72 0.24 0.00 2.13 0.00 0.00 52.55 54.86 1j2u s ASP 217 Cb -0.48 -2.27 1.49 0.00 -1.45 0.00 0.00 42.92 40.21 1j2u s ASP 217 CO 0.44 -0.76 2.11 1.55 0.13 0.00 0.00 175.17 178.63 1j2u h PRO 218 N 8.88 0.00 0.00 4.34 0.13 -1.95 -1.15 132.00 142.24 1j2u h PRO 218 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1j2u h PRO 218 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1j2u h PRO 218 CO 0.89 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.65 1j2u h ALA 219 N 1.86 1.49 -0.01 -0.56 0.00 -2.00 -2.02 119.26 118.02 1j2u h ALA 219 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j2u h ALA 219 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1j2u h ALA 219 CO -0.00 0.01 -0.03 0.54 0.00 0.00 0.00 179.25 179.77 1j2u n ARG 220 N -3.81 1.12 -4.67 0.00 1.74 -0.44 -4.74 116.66 105.86 1j2u n ARG 220 Ca -0.03 -0.35 -0.34 0.00 -0.77 0.00 0.00 57.85 56.37 1j2u n ARG 220 Cb 0.09 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 29.92 1j2u n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1j2u s THR 221 N -2.13 3.56 0.25 0.55 2.01 -0.76 -4.94 115.64 114.19 1j2u s THR 221 Ca 0.40 -0.53 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 1j2u s THR 221 Cb 0.21 -2.45 -0.14 0.00 0.01 0.00 0.00 72.50 70.14 1j2u s THR 221 CO 0.39 0.59 1.33 -2.65 -0.69 0.00 0.00 174.62 173.58 1j2u n PRO 222 N 2.36 1.89 -0.31 4.92 -0.02 -1.26 -4.85 135.00 137.73 1j2u n PRO 222 Ca -0.18 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 1j2u n PRO 222 Cb 0.53 -2.27 0.29 0.00 -0.02 0.00 0.00 33.50 32.03 1j2u n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2u h ALA 223 N 3.65 1.23 0.00 3.55 0.00 -1.91 0.05 119.26 125.84 1j2u h ALA 223 Ca -0.45 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1j2u h ALA 223 Cb 1.29 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1j2u h ALA 223 CO 0.72 -0.54 0.00 -1.35 0.00 0.00 0.00 179.25 178.07 1j2u h PRO 224 N 0.09 0.00 0.00 0.00 0.11 -1.96 -3.47 132.00 126.77 1j2u h PRO 224 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1j2u h PRO 224 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j2u h PRO 224 CO -0.79 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.41 1j2u n GLY 225 N 0.07 1.86 3.83 -0.55 0.00 0.00 -3.75 105.19 106.66 1j2u n GLY 225 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1j2u n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2u s THR 226 N -2.46 4.30 -0.73 2.61 -4.23 -1.26 -4.47 115.64 109.39 1j2u s THR 226 Ca 0.00 1.02 0.17 0.00 -1.18 0.00 0.00 61.69 61.69 1j2u s THR 226 Cb 0.00 -3.61 -0.19 0.00 1.34 0.00 0.00 72.50 70.04 1j2u s THR 226 CO 0.00 -0.71 0.68 0.18 -0.54 0.00 0.00 174.62 174.23 1j2u n LEU 227 N -2.00 0.73 -3.62 4.79 4.77 -0.89 -4.43 117.00 116.35 1j2u n LEU 227 Ca 0.07 -0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 55.45 1j2u n LEU 227 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1j2u n LEU 227 CO 0.49 0.18 0.21 -0.94 -1.33 0.00 0.00 177.39 176.01 1j2u s SER 228 N -2.67 -0.36 0.16 -1.43 1.04 -1.12 -1.31 113.70 108.00 1j2u s SER 228 Ca 0.05 0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 1j2u s SER 228 Cb 0.12 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.63 1j2u s SER 228 CO 0.69 -0.69 1.13 -0.55 0.98 0.00 0.00 173.24 174.80 1j2u s SER 229 N -1.99 7.20 -0.19 7.02 0.15 -1.26 -3.99 113.70 120.65 1j2u s SER 229 Ca -0.05 2.10 0.14 0.00 0.70 0.00 0.00 55.95 58.83 1j2u s SER 229 Cb -0.01 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.43 1j2u s SER 229 CO -0.02 -0.29 1.62 0.00 1.20 0.00 0.00 173.24 175.74 1j2u n ALA 230 N 2.68 3.58 -0.35 5.45 0.00 -1.26 -4.03 120.51 126.58 1j2u n ALA 230 Ca 0.04 -1.66 0.15 0.00 0.00 0.00 0.00 53.44 51.97 1j2u n ALA 230 Cb 0.46 -1.09 0.35 0.00 0.00 0.00 0.00 19.45 19.16 1j2u n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j2u h LYS 231 N 3.68 0.67 -0.53 0.00 3.11 -1.93 -1.03 116.57 120.54 1j2u h LYS 231 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1j2u h LYS 231 Cb 1.72 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.80 1j2u h LYS 231 CO 0.39 0.44 0.00 0.25 -2.81 0.00 0.00 179.45 177.72 1j2u n THR 232 N -4.81 0.75 -1.97 1.00 -2.24 -1.26 -4.95 114.28 100.80 1j2u n THR 232 Ca 0.25 -0.71 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 1j2u n THR 232 Cb 0.64 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1j2u n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j2u s ALA 233 N -1.36 2.70 0.10 6.98 0.00 -0.39 -5.03 121.76 124.76 1j2u s ALA 233 Ca 0.35 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 1j2u s ALA 233 Cb 0.19 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1j2u s ALA 233 CO 0.23 -1.16 0.41 -1.54 0.00 0.00 0.00 175.76 173.70 1j2u s SER 234 N -1.33 -0.27 0.23 0.00 1.04 -1.26 -4.93 113.70 107.18 1j2u s SER 234 Ca 0.73 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.91 1j2u s SER 234 Cb -0.34 0.46 0.27 0.00 0.10 0.00 0.00 66.02 66.51 1j2u s SER 234 CO 0.38 -0.79 1.85 -0.09 0.98 0.00 0.00 173.24 175.58 1j2u h ARG 235 N 2.59 0.89 -0.49 4.02 2.43 -1.86 -1.37 114.38 120.59 1j2u h ARG 235 Ca -0.33 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1j2u h ARG 235 Cb 1.24 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1j2u h ARG 235 CO 0.45 0.59 0.28 0.93 -1.51 0.00 0.00 179.97 180.71 1j2u h GLU 236 N 0.92 0.67 -0.98 0.20 3.07 -1.96 0.74 114.58 117.24 1j2u h GLU 236 Ca 0.33 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1j2u h GLU 236 Cb 0.11 -0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 27.83 1j2u h GLU 236 CO -0.15 0.50 0.63 0.87 -1.40 0.00 0.00 179.01 179.46 1j2u h LYS 237 N 0.65 1.31 -0.77 2.33 1.57 -1.82 -2.10 116.57 117.73 1j2u h LYS 237 Ca 0.17 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1j2u h LYS 237 Cb 0.02 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 1j2u h LYS 237 CO -0.03 0.89 0.31 0.78 -0.57 0.00 0.00 179.45 180.83 1j2u h GLY 238 N 1.34 1.23 1.78 3.86 0.00 -0.30 -0.29 103.07 110.70 1j2u h GLY 238 Ca 0.36 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1j2u h GLY 238 CO -0.07 0.63 -0.39 0.83 0.00 0.00 0.00 176.54 177.54 1j2u h GLU 239 N 1.11 0.25 -0.04 4.80 4.39 -0.56 -0.77 114.58 123.76 1j2u h GLU 239 Ca 0.26 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1j2u h GLU 239 Cb 0.21 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1j2u h GLU 239 CO -0.02 0.60 -0.07 1.25 -1.16 0.00 0.00 179.01 179.61 1j2u h LEU 240 N 0.21 0.14 -0.54 1.33 5.85 -0.95 -2.72 115.31 118.62 1j2u h LEU 240 Ca 0.02 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.28 1j2u h LEU 240 Cb 0.78 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1j2u h LEU 240 CO 0.06 0.65 0.18 0.40 -0.34 0.00 0.00 178.44 179.40 1j2u h ILE 241 N -0.38 0.79 0.01 4.05 2.04 -0.94 -2.01 117.51 121.06 1j2u h ILE 241 Ca 0.00 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1j2u h ILE 241 Cb 0.63 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1j2u h ILE 241 CO 0.02 0.06 -0.05 0.25 0.00 0.00 0.00 178.15 178.43 1j2u h LEU 242 N 0.36 -0.14 -0.79 1.44 5.85 -1.15 0.09 115.31 120.97 1j2u h LEU 242 Ca 0.27 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1j2u h LEU 242 Cb 0.32 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1j2u h LEU 242 CO -0.28 -0.07 0.29 -0.08 -0.34 0.00 0.00 178.44 177.95 1j2u h GLU 243 N -0.09 1.19 -0.17 1.25 4.57 -1.27 -0.49 114.58 119.57 1j2u h GLU 243 Ca 0.02 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1j2u h GLU 243 Cb 0.11 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1j2u h GLU 243 CO -0.05 0.98 0.03 0.28 -1.18 0.00 0.00 179.01 179.08 1j2u h VAL 244 N 1.15 1.21 -0.01 0.32 2.07 -1.10 -0.84 116.25 119.06 1j2u h VAL 244 Ca 0.26 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1j2u h VAL 244 Cb 0.25 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1j2u h VAL 244 CO -0.02 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1j2u h VAL 246 N -0.12 1.04 0.13 0.00 2.07 -1.09 0.01 116.25 118.29 1j2u h VAL 246 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1j2u h VAL 246 Cb 0.14 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1j2u h VAL 246 CO -0.00 0.05 -0.06 -0.61 0.02 0.00 0.00 177.57 176.97 1j2u h GLN 247 N 0.29 -0.17 -0.43 1.57 5.75 -1.11 -0.70 115.11 120.31 1j2u h GLN 247 Ca 0.09 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1j2u h GLN 247 Cb -0.02 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1j2u h GLN 247 CO -0.03 -0.10 0.26 0.78 -2.65 0.00 0.00 178.83 177.09 1j2u h GLY 248 N -0.19 0.60 1.00 2.39 0.00 -0.92 -1.28 103.07 104.67 1j2u h GLY 248 Ca -0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 1j2u h GLY 248 CO 0.03 0.17 -0.35 -2.22 0.00 0.00 0.00 176.54 174.17 1j2u h ILE 249 N 0.52 1.30 -0.69 2.60 2.04 -0.94 -1.47 117.51 120.86 1j2u h ILE 249 Ca 0.17 -1.54 0.07 0.00 1.00 0.00 0.00 64.86 64.56 1j2u h ILE 249 Cb 0.01 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1j2u h ILE 249 CO -0.08 0.49 0.38 0.00 0.00 0.00 0.00 178.15 178.95 1j2u h ALA 250 N 0.68 0.93 -0.40 1.87 0.00 -0.95 0.02 119.26 121.42 1j2u h ALA 250 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1j2u h ALA 250 Cb 0.94 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1j2u h ALA 250 CO 0.08 0.05 0.15 -0.44 0.00 0.00 0.00 179.25 179.09 1j2u h ASP 251 N 0.69 0.56 -0.63 0.00 3.32 -1.07 -1.07 116.42 118.23 1j2u h ASP 251 Ca 0.31 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1j2u h ASP 251 Cb 0.22 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1j2u h ASP 251 CO -0.20 0.59 0.30 0.00 -1.72 0.00 0.00 179.24 178.20 1j2u h ALA 252 N 1.00 0.81 -0.55 3.45 0.00 -0.77 -1.21 119.26 121.98 1j2u h ALA 252 Ca 0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1j2u h ALA 252 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1j2u h ALA 252 CO -0.01 0.38 -0.01 0.82 0.00 0.00 0.00 179.25 180.43 1j2u h ILE 253 N 0.86 1.27 -0.69 0.00 2.04 -0.86 -1.01 117.51 119.12 1j2u h ILE 253 Ca 0.21 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1j2u h ILE 253 Cb 0.13 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1j2u h ILE 253 CO -0.03 0.41 0.34 0.03 0.00 0.00 0.00 178.15 178.90 1j2u h ARG 254 N 0.87 0.97 -0.41 2.37 3.08 -0.94 0.33 114.38 120.64 1j2u h ARG 254 Ca 0.16 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1j2u h ARG 254 Cb 0.55 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1j2u h ARG 254 CO 0.03 0.75 -0.15 1.49 -1.07 0.00 0.00 179.97 181.02 1j2u h GLU 255 N 0.97 0.83 0.00 0.04 4.57 -0.79 -2.87 114.58 117.33 1j2u h GLU 255 Ca 0.24 -0.34 -0.20 0.00 -1.18 0.00 0.00 59.36 57.88 1j2u h GLU 255 Cb 0.09 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1j2u h GLU 255 CO -0.03 0.97 -1.06 0.93 -1.18 0.00 0.00 179.01 178.64 1j2u h GLU 256 N 0.65 0.00 -2.14 1.92 4.39 -0.88 -3.39 114.58 115.13 1j2u h GLU 256 Ca 0.10 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.22 1j2u h GLU 256 Cb 0.70 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.94 1j2u h GLU 256 CO 0.05 0.75 -0.79 1.19 -1.16 0.00 0.00 179.01 179.05 1j2u n PHE 257 N -3.23 2.35 -1.42 4.33 3.72 0.11 -5.09 117.46 118.23 1j2u n PHE 257 Ca -0.03 -3.94 -0.32 0.00 -0.05 0.00 0.00 57.45 53.11 1j2u n PHE 257 Cb 0.91 -0.48 0.08 0.00 -0.94 0.00 0.00 39.48 39.04 1j2u n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j2u s PRO 258 N -2.30 2.46 0.00 -1.08 0.04 -1.08 -4.64 135.00 128.40 1j2u s PRO 258 Ca 0.40 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1j2u s PRO 258 Cb 0.19 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1j2u s PRO 258 CO -0.06 -1.49 0.42 -2.30 0.04 0.00 0.00 177.00 173.60