#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 -2.60 -0.53 4.39 2.88 -1.26 -4.92 113.62 111.58 1j2u n SER 4 Ca 0.00 0.69 0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1j2u n SER 4 Cb 0.00 -0.77 0.13 0.00 -0.75 0.00 0.00 64.21 62.82 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 -0.94 0.00 -3.16 2.46 0.24 -1.26 -4.93 118.33 110.74 1j2u n VAL 5 Ca 0.09 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.72 1j2u n VAL 5 Cb 0.36 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 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 -2.36 3.39 0.31 6.34 0.40 -1.26 0.03 117.98 124.82 1j2u s PHE 6 Ca 0.23 0.90 0.03 0.00 -0.60 0.00 0.00 56.93 57.49 1j2u s PHE 6 Cb 0.19 -2.75 0.63 0.00 0.51 0.00 0.00 43.02 41.59 1j2u s PHE 6 CO 0.50 -0.13 1.86 0.28 0.70 0.00 0.00 175.22 178.43 1j2u h VAL 7 N 5.13 0.93 0.00 -0.44 2.07 -1.22 -0.47 116.25 122.25 1j2u h VAL 7 Ca -0.33 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1j2u h VAL 7 Cb 1.15 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1j2u h VAL 7 CO 0.76 0.17 -0.03 1.23 0.02 0.00 0.00 177.57 179.72 1j2u h GLY 8 N 0.92 0.00 -1.20 2.17 0.00 -1.93 -2.13 103.07 100.89 1j2u h GLY 8 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1j2u h GLY 8 CO -0.22 0.00 -0.00 1.18 0.00 0.00 0.00 176.54 177.50 1j2u n GLU 9 N -3.74 2.00 -3.92 4.80 1.02 -0.19 -4.91 120.64 115.71 1j2u n GLU 9 Ca -0.03 -1.45 -0.22 0.00 -0.02 0.00 0.00 57.16 55.45 1j2u n GLU 9 Cb 0.13 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.00 4.30 0.58 -4.62 1.43 -0.80 -4.96 118.68 112.60 1j2u s LEU 10 Ca 0.33 0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1j2u s LEU 10 Cb 0.20 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 1j2u s LEU 10 CO 0.32 -0.08 0.91 0.42 0.23 0.00 0.00 176.35 178.15 1j2u s THR 11 N -1.99 4.06 0.46 5.49 -4.23 -1.26 -4.92 115.64 113.25 1j2u s THR 11 Ca 0.35 0.21 0.14 0.00 -1.18 0.00 0.00 61.69 61.20 1j2u s THR 11 Cb -0.09 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.37 1j2u s THR 11 CO 0.30 -0.66 2.05 4.11 -0.54 0.00 0.00 174.62 179.88 1j2u h TRP 12 N -0.16 0.09 -0.31 3.99 5.08 -1.99 -1.65 115.95 121.01 1j2u h TRP 12 Ca -0.46 -0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.44 1j2u h TRP 12 Cb 1.24 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 1j2u h TRP 12 CO 0.52 0.15 -0.10 0.87 -1.28 0.00 0.00 178.44 178.60 1j2u h LYS 13 N 0.09 0.61 -0.67 0.12 1.79 -1.98 0.31 116.57 116.83 1j2u h LYS 13 Ca 0.02 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.22 1j2u h LYS 13 Cb 0.16 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1j2u h LYS 13 CO 0.01 0.81 0.31 0.93 -1.08 0.00 0.00 179.45 180.43 1j2u h GLU 14 N 0.37 0.98 -0.17 3.15 5.08 -1.84 -0.40 114.58 121.76 1j2u h GLU 14 Ca 0.07 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1j2u h GLU 14 Cb 0.60 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1j2u h GLU 14 CO 0.04 0.79 0.02 -0.92 -1.00 0.00 0.00 179.01 177.93 1j2u h TYR 15 N 0.94 0.30 -0.60 4.33 3.20 -1.25 -2.17 116.97 121.71 1j2u h TYR 15 Ca 0.23 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1j2u h TYR 15 Cb 0.14 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 1j2u h TYR 15 CO 0.01 0.46 0.26 1.49 -1.64 0.00 0.00 178.16 178.74 1j2u h GLU 16 N 0.05 0.47 -0.67 1.82 4.81 -0.68 -1.11 114.58 119.26 1j2u h GLU 16 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1j2u h GLU 16 Cb 0.33 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1j2u h GLU 16 CO 0.00 0.31 0.20 0.00 -0.73 0.00 0.00 179.01 178.80 1j2u h ALA 17 N 1.38 1.09 -0.54 2.92 0.00 -0.94 0.40 119.26 123.57 1j2u h ALA 17 Ca 0.29 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1j2u h ALA 17 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1j2u h ALA 17 CO -0.25 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.57 1j2u h ARG 18 N 0.99 0.99 -0.34 0.00 2.47 -0.72 -2.47 114.38 115.31 1j2u h ARG 18 Ca 0.22 -0.34 -0.12 0.00 -1.26 0.00 0.00 59.98 58.48 1j2u h ARG 18 Cb 0.29 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1j2u h ARG 18 CO -0.01 1.01 -0.27 0.28 0.56 0.00 0.00 179.97 181.55 1j2u h VAL 19 N 0.87 1.28 0.00 2.04 2.07 -0.88 -2.94 116.25 118.69 1j2u h VAL 19 Ca 0.15 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1j2u h VAL 19 Cb 0.59 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1j2u h VAL 19 CO 0.04 0.45 -0.00 0.00 0.02 0.00 0.00 177.57 178.07 1j2u h ALA 20 N 1.10 1.01 0.00 1.67 0.00 -0.54 -2.52 119.26 119.97 1j2u h ALA 20 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1j2u h ALA 20 Cb 0.77 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1j2u h ALA 20 CO 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.29 1j2u h ALA 21 N 2.00 1.49 0.00 0.00 0.00 -1.26 -3.47 119.26 118.02 1j2u h ALA 21 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j2u h ALA 21 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1j2u h ALA 21 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1j2u n GLY 22 N -1.18 2.49 0.81 0.00 0.00 -0.95 -4.89 105.19 101.47 1j2u n GLY 22 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 1.38 -4.70 1.61 3.85 -1.26 -5.03 116.55 112.40 1j2u n ASP 23 Ca 0.00 -2.95 -0.42 0.00 -0.71 0.00 0.00 54.79 50.71 1j2u n ASP 23 Cb 0.00 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 39.34 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 2.16 5.22 -0.01 0.00 1.01 -1.26 -4.21 120.40 123.30 1j2u s VAL 25 Ca 0.71 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1j2u s VAL 25 Cb -0.39 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1j2u s VAL 25 CO 0.31 0.37 0.01 -0.76 0.00 0.00 0.00 175.10 175.03 1j2u s LEU 26 N 0.97 3.56 -0.06 3.92 1.43 -0.48 -1.70 118.68 126.32 1j2u s LEU 26 Ca 0.07 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1j2u s LEU 26 Cb -0.13 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 1j2u s LEU 26 CO 0.04 0.29 -0.20 -0.04 0.23 0.00 0.00 176.35 176.66 1j2u s MET 27 N -1.48 2.23 -0.24 1.70 -1.94 0.24 -0.50 119.30 119.31 1j2u s MET 27 Ca 0.19 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 1j2u s MET 27 Cb -0.12 -1.86 0.05 0.00 2.01 0.00 0.00 34.83 34.92 1j2u s MET 27 CO 0.09 0.26 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.10 1j2u s LEU 28 N 0.07 2.90 0.22 -0.03 2.96 0.75 -0.06 118.68 125.48 1j2u s LEU 28 Ca -0.07 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.35 1j2u s LEU 28 Cb -0.14 -1.38 -0.09 0.00 0.50 0.00 0.00 46.19 45.08 1j2u s LEU 28 CO 0.04 -0.18 1.19 -2.84 -1.32 0.00 0.00 176.35 173.24 1j2u s PRO 29 N 1.25 4.51 -0.20 0.98 0.02 -1.26 -1.26 135.00 139.03 1j2u s PRO 29 Ca -0.06 1.89 -0.00 0.00 0.02 0.00 0.00 61.00 62.85 1j2u s PRO 29 Cb -0.18 -3.22 0.05 0.00 0.02 0.00 0.00 34.50 31.17 1j2u s PRO 29 CO -0.06 -0.04 -0.04 0.08 -0.33 0.00 0.00 177.00 176.61 1j2u s VAL 30 N -0.36 1.18 0.00 3.83 1.01 -0.50 -1.02 120.40 124.54 1j2u s VAL 30 Ca 0.51 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1j2u s VAL 30 Cb -0.33 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1j2u s VAL 30 CO 0.39 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1j2u n GLY 31 N 4.82 5.21 3.57 4.51 0.00 0.10 -0.27 105.19 123.13 1j2u n GLY 31 Ca -0.11 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.00 -1.97 -0.34 4.61 0.00 -1.23 -3.13 121.76 117.69 1j2u s ALA 32 Ca 0.00 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.12 1j2u s ALA 32 Cb 0.00 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1j2u s ALA 32 CO 0.00 -0.70 0.11 -1.17 0.00 0.00 0.00 175.76 174.00 1j2u s LEU 33 N -2.41 4.39 -0.13 0.00 2.96 -1.08 -4.11 118.68 118.30 1j2u s LEU 33 Ca 0.08 -1.28 -0.13 0.00 -0.22 0.00 0.00 54.13 52.59 1j2u s LEU 33 Cb -0.00 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.88 1j2u s LEU 33 CO -0.06 -0.35 0.37 -0.70 -1.32 0.00 0.00 176.35 174.29 1j2u s GLU 34 N 1.35 0.44 0.28 1.98 2.12 -0.33 -1.11 118.70 123.43 1j2u s GLU 34 Ca -0.01 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.51 1j2u s GLU 34 Cb -0.20 0.22 -0.14 0.00 0.26 0.00 0.00 34.13 34.27 1j2u s GLU 34 CO 0.01 -0.06 1.22 0.00 -0.54 0.00 0.00 175.26 175.89 1j2u n GLN 35 N 2.81 1.73 -2.61 4.30 -0.00 -1.26 -4.31 117.38 118.03 1j2u n GLN 35 Ca -0.13 0.61 -0.13 0.00 -0.00 0.00 0.00 57.00 57.35 1j2u n GLN 35 Cb 0.57 -2.13 0.02 0.00 -0.00 0.00 0.00 30.24 28.70 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 0.88 1.73 -2.00 2.61 8.25 -1.26 -4.98 115.22 120.45 1j2u n HIS 36 Ca 0.09 -2.82 0.00 0.00 -0.26 0.00 0.00 57.72 54.74 1j2u n HIS 36 Cb 0.32 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.21 -2.27 0.19 -1.41 0.00 -1.25 -3.79 105.19 96.44 1j2u n GLY 37 Ca 0.17 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.05 1.61 3.86 -1.83 -3.36 115.15 115.38 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 0.07 0.00 -2.39 0.86 0.00 0.00 177.93 176.47 1j2u n HIS 39 N -3.02 0.04 -3.93 2.45 1.44 -1.26 -4.88 115.22 106.07 1j2u n HIS 39 Ca 0.03 -0.02 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 1j2u n HIS 39 Cb 0.56 -0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.58 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 -1.74 0.62 0.88 -1.40 0.00 -1.25 -1.26 119.30 115.15 1j2u s MET 40 Ca 0.26 -0.79 -0.13 0.00 0.00 0.00 0.00 55.69 55.02 1j2u s MET 40 Cb 0.18 0.24 0.13 0.00 0.00 0.00 0.00 34.83 35.38 1j2u s MET 40 CO 0.27 -0.16 1.21 0.00 0.00 0.00 0.00 175.02 176.34 1j2u n MET 42 N -3.55 0.63 -0.46 0.00 0.00 -1.26 -4.13 117.12 108.35 1j2u n MET 42 Ca 0.10 -0.43 0.08 0.00 0.00 0.00 0.00 57.70 57.45 1j2u n MET 42 Cb 0.60 -1.49 0.28 0.00 0.00 0.00 0.00 33.22 32.61 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 -0.81 3.74 -0.23 7.83 2.04 -1.26 -1.18 115.26 125.39 1j2u n ASN 43 Ca 0.09 -2.29 0.02 0.00 -0.44 0.00 0.00 54.58 51.96 1j2u n ASN 43 Cb 0.37 -0.49 0.10 0.00 -2.53 0.00 0.00 39.78 37.23 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 3.28 0.38 0.00 3.53 2.07 -1.82 -0.01 116.25 123.68 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 1.13 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1j2u h VAL 44 CO 0.15 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.22 1j2u n ASP 45 N -5.38 0.48 -0.11 0.57 8.00 -1.26 -0.98 116.55 117.88 1j2u n ASP 45 Ca 0.10 0.63 -0.22 0.00 0.71 0.00 0.00 54.79 56.01 1j2u n ASP 45 Cb 0.38 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 1j2u n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1j2u n VAL 46 N -2.05 1.53 -0.17 2.53 0.31 -0.24 -4.03 118.33 116.21 1j2u n VAL 46 Ca 0.02 -0.06 -0.03 0.00 -0.01 0.00 0.00 64.34 64.27 1j2u n VAL 46 Cb 0.19 -2.04 0.07 0.00 -0.91 0.00 0.00 33.84 31.15 1j2u n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1j2u h LEU 47 N -1.00 0.22 0.46 7.52 3.38 -0.59 -2.30 115.31 123.00 1j2u h LEU 47 Ca -0.37 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1j2u h LEU 47 Cb 1.30 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1j2u h LEU 47 CO -0.23 0.15 -0.22 -0.07 0.09 0.00 0.00 178.44 178.16 1j2u h LEU 48 N 0.39 -0.52 -1.43 1.67 3.38 -1.30 -1.69 115.31 115.80 1j2u h LEU 48 Ca 0.25 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1j2u h LEU 48 Cb 0.26 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1j2u h LEU 48 CO -0.24 -0.24 -0.20 1.55 0.09 0.00 0.00 178.44 179.40 1j2u h PRO 49 N -0.81 0.13 -0.52 1.13 0.13 -1.75 -1.83 132.00 128.48 1j2u h PRO 49 Ca -0.06 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1j2u h PRO 49 Cb 0.56 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1j2u h PRO 49 CO 0.10 0.33 0.25 1.15 -0.23 0.00 0.00 178.00 179.59 1j2u h THR 50 N 0.12 1.20 -0.53 1.56 2.02 -1.34 0.20 112.91 116.14 1j2u h THR 50 Ca 0.02 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 1j2u h THR 50 Cb 0.42 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1j2u h THR 50 CO 0.03 0.22 -0.08 0.00 0.37 0.00 0.00 175.52 176.06 1j2u h ALA 51 N 1.09 0.85 -0.34 6.16 0.00 -0.90 -0.47 119.26 125.65 1j2u h ALA 51 Ca 0.18 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1j2u h ALA 51 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j2u h ALA 51 CO -0.02 0.65 -0.17 0.28 0.00 0.00 0.00 179.25 179.99 1j2u h VAL 52 N 0.87 1.29 -0.73 0.00 2.07 -1.08 -2.42 116.25 116.24 1j2u h VAL 52 Ca 0.14 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1j2u h VAL 52 Cb 0.62 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1j2u h VAL 52 CO 0.04 0.42 0.48 0.00 0.02 0.00 0.00 177.57 178.53 1j2u h LYS 54 N 0.97 -0.03 -0.41 0.00 3.64 -0.90 0.21 116.57 120.05 1j2u h LYS 54 Ca 0.27 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1j2u h LYS 54 Cb -0.09 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1j2u h LYS 54 CO -0.07 -0.02 -0.10 0.00 -2.27 0.00 0.00 179.45 176.99 1j2u h ARG 55 N -0.03 0.72 -0.22 1.90 3.08 -1.11 -0.80 114.38 117.93 1j2u h ARG 55 Ca 0.06 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1j2u h ARG 55 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1j2u h ARG 55 CO -0.13 0.81 -0.14 0.28 -1.07 0.00 0.00 179.97 179.72 1j2u h VAL 56 N 0.66 1.31 -0.92 2.04 2.07 -0.95 -2.67 116.25 117.79 1j2u h VAL 56 Ca 0.11 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1j2u h VAL 56 Cb 0.56 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1j2u h VAL 56 CO 0.03 0.38 0.58 0.00 0.02 0.00 0.00 177.57 178.59 1j2u h ALA 57 N 0.69 1.29 -0.83 1.67 0.00 -0.33 -0.53 119.26 121.22 1j2u h ALA 57 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j2u h ALA 57 Cb 0.66 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1j2u h ALA 57 CO 0.04 0.63 0.51 0.93 0.00 0.00 0.00 179.25 181.36 1j2u h GLU 58 N 1.26 1.12 -0.17 0.00 5.08 -1.07 -0.10 114.58 120.70 1j2u h GLU 58 Ca 0.33 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.39 1j2u h GLU 58 Cb -0.09 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 28.92 1j2u h GLU 58 CO -0.07 0.78 -0.73 0.00 -1.00 0.00 0.00 179.01 177.99 1j2u h ARG 59 N 1.14 0.75 -0.04 2.33 3.08 -0.97 -3.34 114.38 117.32 1j2u h ARG 59 Ca 0.30 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1j2u h ARG 59 Cb -0.06 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1j2u h ARG 59 CO -0.06 1.19 0.00 0.44 -1.07 0.00 0.00 179.97 180.48 1j2u n ILE 60 N -3.93 0.03 -2.23 2.04 -5.35 -0.29 -4.99 119.36 104.64 1j2u n ILE 60 Ca -0.06 -0.52 -0.04 0.00 -0.27 0.00 0.00 62.75 61.86 1j2u n ILE 60 Cb 0.72 1.36 0.00 0.00 -1.74 0.00 0.00 39.64 39.98 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 1.04 0.33 3.96 3.28 0.00 -0.10 -5.04 105.19 108.65 1j2u n GLY 61 Ca 0.11 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.41 4.28 0.11 4.61 0.00 -0.87 -4.70 121.76 122.77 1j2u s ALA 62 Ca 0.03 -1.67 0.10 0.00 0.00 0.00 0.00 51.96 50.41 1j2u s ALA 62 Cb -0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1j2u s ALA 62 CO 0.03 -0.18 -0.23 -0.51 0.00 0.00 0.00 175.76 174.87 1j2u s LEU 63 N -4.22 2.46 -0.17 0.00 1.43 -0.69 -4.64 118.68 112.87 1j2u s LEU 63 Ca 0.50 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1j2u s LEU 63 Cb -0.08 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 1j2u s LEU 63 CO 0.31 0.19 -0.13 -0.69 0.23 0.00 0.00 176.35 176.26 1j2u s VAL 64 N -1.06 2.86 0.60 -1.59 1.01 0.10 -0.59 120.40 121.73 1j2u s VAL 64 Ca 0.15 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1j2u s VAL 64 Cb -0.10 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1j2u s VAL 64 CO 0.07 0.50 1.01 -0.04 0.00 0.00 0.00 175.10 176.64 1j2u s MET 65 N 0.89 3.62 0.25 2.72 -1.94 0.91 -0.62 119.30 125.13 1j2u s MET 65 Ca -0.03 0.72 -0.31 0.00 -1.71 0.00 0.00 55.69 54.36 1j2u s MET 65 Cb -0.15 -2.11 -0.13 0.00 2.01 0.00 0.00 34.83 34.45 1j2u s MET 65 CO -0.01 -0.51 1.41 -2.30 -0.01 0.00 0.00 175.02 173.60 1j2u n PRO 66 N -2.61 2.09 -2.27 2.03 -0.02 -1.26 -4.47 135.00 128.48 1j2u n PRO 66 Ca 0.06 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.95 1j2u n PRO 66 Cb 0.54 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.25 2.11 -0.28 -1.23 0.00 -1.26 -4.72 107.32 102.19 1j2u s GLY 67 Ca 0.67 0.29 -0.28 0.00 0.00 0.00 0.00 44.72 45.40 1j2u s GLY 67 CO 0.51 0.58 0.98 1.08 0.00 0.00 0.00 173.10 176.25 1j2u s LEU 68 N -4.20 4.03 0.20 0.66 1.43 -0.19 -4.91 118.68 115.71 1j2u s LEU 68 Ca 0.61 1.09 0.18 0.00 -1.03 0.00 0.00 54.13 54.99 1j2u s LEU 68 Cb -0.13 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1j2u s LEU 68 CO 0.33 -0.72 1.14 1.56 0.23 0.00 0.00 176.35 178.89 1j2u h GLN 69 N 7.83 0.00 -5.54 1.70 1.08 -1.89 0.33 115.11 118.61 1j2u h GLN 69 Ca -0.21 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.31 1j2u h GLN 69 Cb 1.07 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 28.18 1j2u h GLN 69 CO 0.97 0.27 -0.88 0.71 -0.95 0.00 0.00 178.83 178.95 1j2u s TYR 70 N -3.05 2.51 0.22 2.96 1.51 -1.26 -2.64 117.35 117.61 1j2u s TYR 70 Ca 0.01 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.12 1j2u s TYR 70 Cb 0.08 -1.67 -0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1j2u s TYR 70 CO 0.77 -0.36 0.01 0.41 -1.11 0.00 0.00 175.55 175.27 1j2u n GLY 71 N 3.34 3.90 3.76 0.71 0.00 -1.18 -4.76 105.19 110.96 1j2u n GLY 71 Ca -0.19 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.27 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 -1.85 2.49 0.15 1.61 5.04 -1.26 -0.65 117.35 122.86 1j2u s TYR 72 Ca 0.01 1.58 -0.34 0.00 -2.44 0.00 0.00 57.07 55.88 1j2u s TYR 72 Cb 0.00 -3.08 -0.15 0.00 0.35 0.00 0.00 41.96 39.08 1j2u s TYR 72 CO 0.01 -1.89 1.39 1.63 -1.34 0.00 0.00 175.55 175.34 1j2u n LYS 73 N -3.54 1.59 -2.00 4.97 5.02 -1.24 -4.74 118.16 118.21 1j2u n LYS 73 Ca 0.09 0.57 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 1j2u n LYS 73 Cb 0.53 -2.22 -0.02 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.48 6.63 -0.04 4.39 0.15 -1.26 -4.91 113.70 119.14 1j2u s SER 74 Ca 0.78 2.75 0.02 0.00 0.70 0.00 0.00 55.95 60.20 1j2u s SER 74 Cb -0.80 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 60.84 1j2u s SER 74 CO 0.46 -0.68 -0.07 -1.10 1.20 0.00 0.00 173.24 173.04 1j2u s GLN 75 N -1.11 2.67 0.20 5.44 -1.52 -1.26 -2.07 119.66 122.00 1j2u s GLN 75 Ca 0.55 -0.61 -0.17 0.00 -1.95 0.00 0.00 55.36 53.17 1j2u s GLN 75 Cb -0.42 -2.55 0.18 0.00 -0.22 0.00 0.00 33.01 29.99 1j2u s GLN 75 CO 0.50 0.64 1.61 0.37 -0.25 0.00 0.00 175.29 178.16 1j2u h GLN 76 N 4.98 -0.09 0.00 2.91 4.15 -1.91 0.31 115.11 125.46 1j2u h GLN 76 Ca -0.49 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1j2u h GLN 76 Cb 1.17 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1j2u h GLN 76 CO 0.53 -0.06 0.00 1.63 -1.93 0.00 0.00 178.83 179.00 1j2u n LYS 77 N -5.43 0.07 -0.01 1.69 5.02 -1.26 -2.06 118.16 116.17 1j2u n LYS 77 Ca 0.06 0.27 -0.01 0.00 -2.02 0.00 0.00 58.31 56.60 1j2u n LYS 77 Cb 0.34 -1.62 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.74 3.97 0.00 4.39 3.41 -0.48 -4.78 113.62 118.40 1j2u n SER 78 Ca 0.04 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1j2u n SER 78 Cb 0.22 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 3.41 0.47 0.54 5.00 0.00 0.97 -4.52 105.19 111.06 1j2u n GLY 79 Ca -0.02 0.00 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 -0.28 2.90 0.00 -0.02 0.00 -0.88 -4.80 105.19 102.12 1j2u n GLY 80 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 3.48 0.20 -0.02 0.00 -1.22 -4.33 105.19 103.30 1j2u n GLY 81 Ca 0.00 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 0.59 0.01 1.61 2.85 -0.88 -3.44 115.26 116.00 1j2u n ASN 82 Ca 0.00 -1.90 0.13 0.00 -0.11 0.00 0.00 54.58 52.70 1j2u n ASN 82 Cb 0.00 -0.07 0.35 0.00 1.24 0.00 0.00 39.78 41.31 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 -0.23 0.12 -2.20 1.20 1.44 -1.26 -4.89 115.22 109.40 1j2u n HIS 83 Ca 0.06 0.03 -0.36 0.00 -2.01 0.00 0.00 57.72 55.45 1j2u n HIS 83 Cb 0.11 -0.41 0.00 0.00 0.12 0.00 0.00 29.99 29.81 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 -3.03 2.68 0.76 -1.40 0.40 -1.22 -5.03 117.98 111.14 1j2u s PHE 84 Ca 0.11 1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 57.85 1j2u s PHE 84 Cb 0.17 -3.37 0.05 0.00 0.51 0.00 0.00 43.02 40.39 1j2u s PHE 84 CO 0.65 -1.70 1.12 -2.14 0.70 0.00 0.00 175.22 173.84 1j2u s PRO 85 N -3.09 2.20 0.00 0.24 0.02 -1.26 -3.91 135.00 129.20 1j2u s PRO 85 Ca 0.70 1.35 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1j2u s PRO 85 Cb -0.27 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1j2u s PRO 85 CO 0.31 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.68 1j2u n GLY 86 N -0.64 1.98 3.67 0.52 0.00 -1.26 -4.64 105.19 104.82 1j2u n GLY 86 Ca 0.10 -0.26 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 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 0.34 -3.78 2.61 -1.04 -1.25 -4.64 114.28 106.51 1j2u n THR 87 Ca 0.00 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 1j2u n THR 87 Cb 0.00 -1.67 -0.16 0.00 -1.82 0.00 0.00 70.33 66.69 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 2.77 0.92 0.11 12.58 2.01 -0.27 -4.97 115.64 128.78 1j2u s THR 88 Ca 0.88 -1.08 0.09 0.00 0.31 0.00 0.00 61.69 61.89 1j2u s THR 88 Cb -0.72 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1j2u s THR 88 CO 0.47 -0.39 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.37 1j2u s SER 89 N 1.64 3.70 0.37 3.53 0.01 -1.26 -4.39 113.70 117.30 1j2u s SER 89 Ca 0.03 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 56.64 1j2u s SER 89 Cb -0.18 -0.46 -0.05 0.00 0.21 0.00 0.00 66.02 65.55 1j2u s SER 89 CO -0.15 0.19 0.65 -0.76 0.41 0.00 0.00 173.24 173.59 1j2u s LEU 90 N -2.00 3.89 0.62 2.44 1.43 0.17 -4.87 118.68 120.37 1j2u s LEU 90 Ca 0.16 0.79 -0.16 0.00 -1.03 0.00 0.00 54.13 53.90 1j2u s LEU 90 Cb -0.10 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 1j2u s LEU 90 CO 0.08 -0.36 1.08 -1.81 0.23 0.00 0.00 176.35 175.58 1j2u s ASP 91 N -3.60 5.51 0.22 2.29 -0.00 -1.26 -3.66 116.67 116.16 1j2u s ASP 91 Ca 0.45 1.91 -0.08 0.00 -0.00 0.00 0.00 52.55 54.83 1j2u s ASP 91 Cb -0.10 -2.54 0.32 0.00 -0.00 0.00 0.00 42.92 40.60 1j2u s ASP 91 CO 0.35 -1.36 1.73 1.23 -0.00 0.00 0.00 175.17 177.13 1j2u h GLY 92 N 0.31 0.90 1.50 0.21 0.00 -1.98 -2.28 103.07 101.73 1j2u h GLY 92 Ca -0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1j2u h GLY 92 CO 0.56 -0.06 0.18 0.00 0.00 0.00 0.00 176.54 177.22 1j2u h ALA 93 N 1.47 1.46 -0.28 3.60 0.00 -1.99 -0.82 119.26 122.70 1j2u h ALA 93 Ca 0.33 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1j2u h ALA 93 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1j2u h ALA 93 CO -0.36 0.41 -0.03 1.15 0.00 0.00 0.00 179.25 180.43 1j2u h THR 94 N 0.64 1.27 -0.14 0.00 2.02 -1.80 -1.02 112.91 113.88 1j2u h THR 94 Ca 0.16 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1j2u h THR 94 Cb 0.13 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1j2u h THR 94 CO -0.02 0.32 -0.01 0.25 0.37 0.00 0.00 175.52 176.43 1j2u h LEU 95 N 0.28 0.26 -0.43 2.58 5.85 -1.20 -1.61 115.31 121.03 1j2u h LEU 95 Ca 0.08 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1j2u h LEU 95 Cb 0.48 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1j2u h LEU 95 CO 0.02 0.53 0.09 0.74 -0.34 0.00 0.00 178.44 179.48 1j2u h THR 96 N -0.02 0.77 -0.46 1.05 2.02 -1.17 -1.89 112.91 113.22 1j2u h THR 96 Ca 0.04 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1j2u h THR 96 Cb 0.41 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1j2u h THR 96 CO 0.01 0.04 0.20 1.23 0.37 0.00 0.00 175.52 177.37 1j2u h GLY 97 N 0.22 0.69 0.75 2.16 0.00 -1.07 -1.04 103.07 104.78 1j2u h GLY 97 Ca 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1j2u h GLY 97 CO -0.27 0.31 -0.01 -0.84 0.00 0.00 0.00 176.54 175.73 1j2u h THR 98 N 0.65 1.26 -0.73 4.70 2.02 -0.54 0.03 112.91 120.30 1j2u h THR 98 Ca 0.16 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.52 1j2u h THR 98 Cb 0.11 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1j2u h THR 98 CO -0.02 0.24 0.47 0.58 0.37 0.00 0.00 175.52 177.16 1j2u h VAL 99 N -0.10 1.15 -0.48 3.16 2.07 -1.22 -1.68 116.25 119.14 1j2u h VAL 99 Ca 0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1j2u h VAL 99 Cb 0.37 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1j2u h VAL 99 CO 0.01 0.17 0.27 -0.61 0.02 0.00 0.00 177.57 177.43 1j2u h GLN 100 N 0.95 0.67 -0.38 1.57 4.15 -1.01 -1.80 115.11 119.27 1j2u h GLN 100 Ca 0.28 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.57 1j2u h GLN 100 Cb -0.06 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1j2u h GLN 100 CO -0.08 0.52 0.02 -0.44 -1.93 0.00 0.00 178.83 176.93 1j2u h ASP 101 N 0.64 0.63 -0.38 -0.69 3.32 -0.71 -1.84 116.42 117.40 1j2u h ASP 101 Ca 0.17 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1j2u h ASP 101 Cb 0.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1j2u h ASP 101 CO -0.03 0.77 0.23 0.40 -1.72 0.00 0.00 179.24 178.89 1j2u h ILE 102 N 0.48 1.12 -0.37 0.35 2.04 -1.15 -1.19 117.51 118.79 1j2u h ILE 102 Ca 0.11 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1j2u h ILE 102 Cb 0.43 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1j2u h ILE 102 CO 0.01 0.12 0.24 0.40 0.00 0.00 0.00 178.15 178.92 1j2u h ILE 103 N 0.50 1.09 -0.65 -0.67 2.04 -1.23 0.04 117.51 118.63 1j2u h ILE 103 Ca 0.14 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1j2u h ILE 103 Cb -0.01 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1j2u h ILE 103 CO -0.03 0.09 0.27 -0.09 0.00 0.00 0.00 178.15 178.39 1j2u h ARG 104 N 0.49 0.45 -0.31 2.37 2.43 -1.12 -0.57 114.38 118.13 1j2u h ARG 104 Ca 0.14 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1j2u h ARG 104 Cb -0.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1j2u h ARG 104 CO -0.03 0.30 -0.25 0.93 -1.51 0.00 0.00 179.97 179.41 1j2u h GLU 105 N 0.46 0.71 -0.97 0.20 4.39 -0.71 -1.67 114.58 116.99 1j2u h GLU 105 Ca 0.33 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1j2u h GLU 105 Cb 0.40 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1j2u h GLU 105 CO -0.31 0.96 0.64 -0.07 -1.16 0.00 0.00 179.01 179.07 1j2u h LEU 106 N 0.46 1.12 -0.83 1.33 3.38 -0.75 -1.31 115.31 118.71 1j2u h LEU 106 Ca 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1j2u h LEU 106 Cb 0.81 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1j2u h LEU 106 CO 0.06 0.82 0.27 0.00 0.09 0.00 0.00 178.44 179.68 1j2u h ALA 107 N 1.39 1.06 -0.97 1.53 0.00 -0.94 -1.50 119.26 119.83 1j2u h ALA 107 Ca 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j2u h ALA 107 Cb -0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.31 1j2u h ALA 107 CO -0.08 0.65 0.62 -0.09 0.00 0.00 0.00 179.25 180.35 1j2u h ARG 108 N 1.09 1.30 0.00 0.00 2.43 -0.34 -1.58 114.38 117.28 1j2u h ARG 108 Ca 0.25 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1j2u h ARG 108 Cb 0.25 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1j2u h ARG 108 CO -0.01 0.88 -0.06 0.45 -1.51 0.00 0.00 179.97 179.71 1j2u h HIS 109 N 1.33 0.00 0.00 2.20 3.86 -0.56 -3.46 115.15 118.52 1j2u h HIS 109 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1j2u h HIS 109 Cb -0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1j2u h HIS 109 CO 0.00 0.06 0.00 0.41 0.86 0.00 0.00 177.93 179.27 1j2u n GLY 110 N -0.84 0.68 3.76 2.45 0.00 -0.59 -4.98 105.19 105.68 1j2u n GLY 110 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 2.92 0.00 4.61 0.00 -0.63 -4.94 121.76 121.71 1j2u s ALA 111 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1j2u s ALA 111 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1j2u s ALA 111 CO 0.00 -0.86 0.22 0.54 0.00 0.00 0.00 175.76 175.65 1j2u n ARG 112 N -0.68 0.02 -3.81 0.00 5.12 -1.26 -4.16 116.66 111.90 1j2u n ARG 112 Ca 0.08 -0.24 -0.26 0.00 -1.93 0.00 0.00 57.85 55.50 1j2u n ARG 112 Cb 0.47 -0.57 -0.17 0.00 -1.16 0.00 0.00 32.46 31.04 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 -0.04 0.98 -0.03 5.56 0.52 -1.26 -0.95 118.95 123.73 1j2u s ARG 113 Ca 0.00 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 1j2u s ARG 113 Cb 0.00 -1.70 0.00 0.00 0.52 0.00 0.00 34.95 33.77 1j2u s ARG 113 CO 0.00 -0.44 -0.10 -1.17 0.02 0.00 0.00 175.30 173.61 1j2u s LEU 114 N 1.80 1.81 -0.18 2.53 2.96 -0.62 -1.38 118.68 125.60 1j2u s LEU 114 Ca 0.02 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1j2u s LEU 114 Cb -0.15 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.94 1j2u s LEU 114 CO -0.07 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.23 1j2u s VAL 115 N 0.15 2.81 -0.26 1.68 1.01 0.35 -0.37 120.40 125.77 1j2u s VAL 115 Ca -0.03 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 1j2u s VAL 115 Cb -0.09 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1j2u s VAL 115 CO 0.01 0.49 0.14 -0.76 0.00 0.00 0.00 175.10 174.97 1j2u s LEU 116 N 1.15 3.81 -0.43 3.92 1.02 0.13 -0.18 118.68 128.10 1j2u s LEU 116 Ca 0.01 -0.06 -0.10 0.00 0.02 0.00 0.00 54.13 54.00 1j2u s LEU 116 Cb -0.14 -2.04 0.09 0.00 0.02 0.00 0.00 46.19 44.11 1j2u s LEU 116 CO -0.04 -0.02 0.29 -0.32 0.02 0.00 0.00 176.35 176.28 1j2u s MET 117 N 1.56 2.60 0.03 1.70 1.75 -0.39 -1.30 119.30 125.25 1j2u s MET 117 Ca 0.07 -1.52 -0.27 0.00 -1.25 0.00 0.00 55.69 52.71 1j2u s MET 117 Cb -0.15 -3.84 -0.05 0.00 2.84 0.00 0.00 34.83 33.63 1j2u s MET 117 CO 0.07 -1.01 0.87 1.21 -0.65 0.00 0.00 175.02 175.50 1j2u s ASN 118 N 2.28 7.30 0.00 1.11 2.47 -0.16 -1.40 114.94 126.53 1j2u s ASN 118 Ca 0.04 1.56 0.11 0.00 0.42 0.00 0.00 52.86 54.98 1j2u s ASN 118 Cb -0.24 -2.52 0.05 0.00 -1.45 0.00 0.00 41.25 37.09 1j2u s ASN 118 CO 0.02 -0.10 0.76 0.61 -3.72 0.00 0.00 177.10 174.66 1j2u n GLY 119 N 2.61 -0.25 2.72 1.21 0.00 0.62 -3.89 105.19 108.21 1j2u n GLY 119 Ca 0.01 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.15 1.09 0.25 1.61 5.65 -1.25 -4.70 115.29 116.78 1j2u s HIS 120 Ca 0.11 -1.03 -0.09 0.00 0.25 0.00 0.00 55.06 54.30 1j2u s HIS 120 Cb 0.09 -1.15 0.39 0.00 -1.18 0.00 0.00 32.58 30.73 1j2u s HIS 120 CO 0.20 -0.68 1.61 -0.92 -0.65 0.00 0.00 174.74 174.29 1j2u h TYR 121 N 8.23 -0.29 -0.11 3.88 3.20 -1.95 0.14 116.97 130.06 1j2u h TYR 121 Ca -0.16 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.81 1j2u h TYR 121 Cb 1.09 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.60 1j2u h TYR 121 CO 0.30 -0.32 0.37 0.93 -1.64 0.00 0.00 178.16 177.80 1j2u h GLU 122 N 0.03 0.00 0.00 1.82 3.07 -1.92 -1.88 114.58 115.70 1j2u h GLU 122 Ca 0.40 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.23 1j2u h GLU 122 Cb 0.66 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1j2u h GLU 122 CO -0.77 0.00 -0.16 -0.91 -1.40 0.00 0.00 179.01 175.77 1j2u h ASN 123 N 0.00 0.00 -0.57 1.42 2.35 -1.28 -3.40 115.58 114.10 1j2u h ASN 123 Ca 0.05 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.91 1j2u h ASN 123 Cb 0.79 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.05 1j2u h ASN 123 CO -0.00 0.16 -0.33 0.28 -1.65 0.00 0.00 177.43 175.88 1j2u h SER 124 N 0.00 -1.15 1.10 5.81 0.02 -1.51 -1.67 113.55 116.15 1j2u h SER 124 Ca -0.00 0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1j2u h SER 124 Cb 0.68 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1j2u h SER 124 CO 0.02 -0.30 -0.27 0.24 -1.14 0.00 0.00 176.83 175.37 1j2u h MET 125 N -0.17 0.00 0.02 3.45 2.86 -1.85 -1.63 114.93 117.61 1j2u h MET 125 Ca 0.23 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.66 1j2u h MET 125 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1j2u h MET 125 CO -0.66 0.27 -0.94 0.74 1.06 0.00 0.00 176.91 177.37 1j2u h PHE 126 N 0.00 0.17 -0.34 -0.22 -1.00 -1.64 -1.62 116.94 112.29 1j2u h PHE 126 Ca -0.00 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 1j2u h PHE 126 Cb 0.89 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1j2u h PHE 126 CO 0.00 0.98 0.12 0.82 -1.61 0.00 0.00 178.31 178.62 1j2u h ILE 127 N 0.05 1.20 -0.58 -0.55 2.04 -1.03 -1.36 117.51 117.28 1j2u h ILE 127 Ca -0.04 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.22 1j2u h ILE 127 Cb 1.62 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 1j2u h ILE 127 CO 0.14 0.22 0.33 0.58 0.00 0.00 0.00 178.15 179.41 1j2u h VAL 128 N 0.40 1.00 -0.40 1.67 2.07 -1.12 -1.47 116.25 118.40 1j2u h VAL 128 Ca 0.11 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 1j2u h VAL 128 Cb 0.23 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1j2u h VAL 128 CO -0.01 0.11 -0.22 -0.08 0.02 0.00 0.00 177.57 177.40 1j2u h GLU 129 N 0.63 0.84 -0.69 1.57 4.57 -1.17 -1.65 114.58 118.68 1j2u h GLU 129 Ca 0.25 -0.38 0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1j2u h GLU 129 Cb 0.10 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 1j2u h GLU 129 CO -0.14 1.02 0.39 0.78 -1.18 0.00 0.00 179.01 179.87 1j2u h GLY 130 N 0.65 1.01 0.90 1.92 0.00 -0.99 -0.65 103.07 105.91 1j2u h GLY 130 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1j2u h GLY 130 CO 0.06 0.17 0.08 -2.22 0.00 0.00 0.00 176.54 174.63 1j2u h ILE 131 N 0.71 1.15 -0.56 2.60 2.04 -1.08 -1.66 117.51 120.70 1j2u h ILE 131 Ca 0.31 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1j2u h ILE 131 Cb 0.18 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1j2u h ILE 131 CO -0.18 0.14 0.33 -0.78 0.00 0.00 0.00 178.15 177.66 1j2u h ASP 132 N 0.14 0.67 -0.53 1.72 1.82 -0.85 -0.10 116.42 119.29 1j2u h ASP 132 Ca 0.06 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 1j2u h ASP 132 Cb 0.15 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1j2u h ASP 132 CO -0.01 0.54 0.07 -0.07 -1.61 0.00 0.00 179.24 178.16 1j2u h LEU 133 N 0.75 0.90 -0.40 2.28 3.38 -1.09 -0.15 115.31 120.97 1j2u h LEU 133 Ca 0.20 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1j2u h LEU 133 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1j2u h LEU 133 CO -0.04 0.91 -0.33 0.00 0.09 0.00 0.00 178.44 179.08 1j2u h ALA 134 N 1.19 0.59 -0.27 1.53 0.00 -0.83 -2.46 119.26 119.01 1j2u h ALA 134 Ca 0.18 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1j2u h ALA 134 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1j2u h ALA 134 CO 0.01 0.65 -0.28 -0.07 0.00 0.00 0.00 179.25 179.56 1j2u h LEU 135 N 0.76 0.56 -0.29 0.00 3.38 -0.83 -0.86 115.31 118.03 1j2u h LEU 135 Ca 0.07 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1j2u h LEU 135 Cb 0.92 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1j2u h LEU 135 CO 0.09 0.82 0.17 -0.09 0.09 0.00 0.00 178.44 179.51 1j2u h ARG 136 N 0.47 0.34 -0.68 1.13 2.43 -0.88 -1.13 114.38 116.06 1j2u h ARG 136 Ca 0.06 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1j2u h ARG 136 Cb 0.73 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1j2u h ARG 136 CO 0.06 0.22 0.14 0.93 -1.51 0.00 0.00 179.97 179.82 1j2u h GLU 137 N 0.35 1.10 -0.98 0.20 5.08 -1.12 -2.48 114.58 116.73 1j2u h GLU 137 Ca 0.11 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1j2u h GLU 137 Cb -0.00 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1j2u h GLU 137 CO -0.05 0.99 0.65 -0.07 -1.00 0.00 0.00 179.01 179.52 1j2u h LEU 138 N 1.02 1.14 -1.20 1.33 3.38 -0.86 -1.67 115.31 118.44 1j2u h LEU 138 Ca 0.21 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1j2u h LEU 138 Cb 0.40 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1j2u h LEU 138 CO 0.01 0.83 0.54 -0.09 0.09 0.00 0.00 178.44 179.82 1j2u h ARG 139 N 1.34 1.05 0.00 1.13 2.43 -0.78 0.07 114.38 119.62 1j2u h ARG 139 Ca 0.36 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1j2u h ARG 139 Cb -0.15 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.16 1j2u h ARG 139 CO -0.08 0.70 -0.07 1.88 -1.51 0.00 0.00 179.97 180.89 1j2u h TYR 140 N 1.09 0.00 -0.59 2.20 0.05 -0.88 -1.99 116.97 116.84 1j2u h TYR 140 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1j2u h TYR 140 Cb -0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1j2u h TYR 140 CO -0.00 0.07 0.00 0.00 -1.05 0.00 0.00 178.16 177.18 1j2u n ALA 141 N -2.40 2.41 -0.70 3.88 0.00 -0.16 -4.94 120.51 118.60 1j2u n ALA 141 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1j2u n ALA 141 Cb 0.16 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.47 0.82 3.56 0.00 0.00 -0.75 -5.03 105.19 105.25 1j2u n GLY 142 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.17 5.17 0.00 -0.61 1.01 -0.23 -4.90 121.20 118.47 1j2u s ILE 143 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1j2u s ILE 143 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1j2u s ILE 143 CO 0.00 -0.04 0.72 0.00 0.00 0.00 0.00 174.94 175.62 1j2u n GLN 144 N 5.37 1.26 -0.36 2.79 6.02 -1.26 -3.10 117.38 128.10 1j2u n GLN 144 Ca -0.09 -0.98 0.08 0.00 -0.01 0.00 0.00 57.00 55.99 1j2u n GLN 144 Cb 0.50 -0.90 0.25 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.26 3.71 -4.69 1.08 3.85 -1.26 -4.91 116.55 114.06 1j2u n ASP 145 Ca 0.00 -2.31 -0.41 0.00 -0.71 0.00 0.00 54.79 51.36 1j2u n ASP 145 Cb 0.21 -0.41 -0.04 0.00 -1.35 0.00 0.00 41.12 39.53 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 -1.57 3.52 -0.03 2.11 2.19 -1.26 -4.85 117.98 118.10 1j2u s PHE 146 Ca 0.37 1.33 0.07 0.00 0.33 0.00 0.00 56.93 59.03 1j2u s PHE 146 Cb 0.23 -2.95 -0.02 0.00 -1.31 0.00 0.00 43.02 38.97 1j2u s PHE 146 CO 0.19 -0.08 -0.24 0.21 1.83 0.00 0.00 175.22 177.13 1j2u s LYS 147 N 1.44 2.07 -0.05 10.12 2.20 -0.12 -5.03 119.74 130.36 1j2u s LYS 147 Ca 0.40 -0.85 0.04 0.00 -0.36 0.00 0.00 55.97 55.20 1j2u s LYS 147 Cb -0.18 -1.92 -0.00 0.00 -1.51 0.00 0.00 37.83 34.22 1j2u s LYS 147 CO 0.17 0.47 -0.18 0.08 -0.36 0.00 0.00 175.35 175.53 1j2u s VAL 148 N -0.44 1.55 -0.17 4.02 1.01 -1.26 -1.59 120.40 123.52 1j2u s VAL 148 Ca 0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1j2u s VAL 148 Cb -0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1j2u s VAL 148 CO 0.00 0.44 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 1j2u s VAL 149 N 0.12 3.27 -0.13 2.92 1.01 0.50 -4.99 120.40 123.11 1j2u s VAL 149 Ca -0.07 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1j2u s VAL 149 Cb -0.13 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1j2u s VAL 149 CO 0.03 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1j2u s VAL 150 N 0.85 3.27 -0.02 2.92 1.01 -1.26 -0.69 120.40 126.47 1j2u s VAL 150 Ca -0.02 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1j2u s VAL 150 Cb -0.15 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1j2u s VAL 150 CO 0.01 0.53 0.32 -1.48 0.00 0.00 0.00 175.10 174.47 1j2u s LEU 151 N 0.22 0.81 -0.20 3.92 0.05 -0.42 -4.98 118.68 118.08 1j2u s LEU 151 Ca -0.07 0.14 -0.07 0.00 0.05 0.00 0.00 54.13 54.18 1j2u s LEU 151 Cb -0.15 1.28 -0.03 0.00 -2.05 0.00 0.00 46.19 45.24 1j2u s LEU 151 CO 0.05 -0.43 0.05 -0.44 -0.55 0.00 0.00 176.35 175.02 1j2u s SER 152 N -1.22 5.26 0.54 1.48 0.01 -1.26 -0.99 113.70 117.52 1j2u s SER 152 Ca -0.13 -0.08 0.26 0.00 1.31 0.00 0.00 55.95 57.31 1j2u s SER 152 Cb -0.05 -1.91 1.43 0.00 0.21 0.00 0.00 66.02 65.70 1j2u s SER 152 CO 0.04 0.09 2.00 0.10 0.41 0.00 0.00 173.24 175.87 1j2u h TYR 153 N 7.34 0.00 0.00 2.43 -0.00 -1.94 -1.81 116.97 123.00 1j2u h TYR 153 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.37 1j2u h TYR 153 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 1j2u h TYR 153 CO 0.60 0.00 0.00 0.11 -0.00 0.00 0.00 178.16 178.87 1j2u h TRP 154 N 0.00 0.00 0.00 0.10 0.09 -1.94 -2.57 115.95 111.63 1j2u h TRP 154 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.21 1j2u h TRP 154 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.21 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 -2.78 0.00 -0.89 0.11 8.00 -0.68 -2.94 116.55 117.38 1j2u n ASP 155 Ca 0.01 -0.58 0.08 0.00 0.71 0.00 0.00 54.79 55.01 1j2u n ASP 155 Cb 0.28 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.58 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 -0.99 0.56 -2.73 1.24 3.01 -0.97 -4.37 117.46 113.20 1j2u n PHE 156 Ca 0.14 -0.41 -0.35 0.00 1.01 0.00 0.00 57.45 57.83 1j2u n PHE 156 Cb 0.06 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1j2u n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1j2u n VAL 157 N 0.97 4.78 -0.06 -4.37 0.31 -1.15 -4.47 118.33 114.34 1j2u n VAL 157 Ca 0.16 -5.76 -0.06 0.00 -0.01 0.00 0.00 64.34 58.67 1j2u n VAL 157 Cb 0.49 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 31.89 1j2u n VAL 157 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1j2u h LYS 158 N 3.66 0.00 -4.74 5.55 1.79 -1.84 -3.45 116.57 117.52 1j2u h LYS 158 Ca 0.38 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 58.15 1j2u h LYS 158 Cb 0.39 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1j2u h LYS 158 CO 1.04 0.43 0.53 -3.47 -1.08 0.00 0.00 179.45 176.91 1j2u n ASP 159 N -4.71 0.93 0.26 0.86 -0.08 -1.26 -4.80 116.55 107.76 1j2u n ASP 159 Ca -0.04 0.94 0.10 0.00 -1.51 0.00 0.00 54.79 54.28 1j2u n ASP 159 Cb 0.21 -0.70 0.69 0.00 2.34 0.00 0.00 41.12 43.66 1j2u n ASP 159 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1j2u h PRO 160 N 3.92 0.00 -0.19 -0.67 0.13 -1.98 -0.91 132.00 132.30 1j2u h PRO 160 Ca -0.35 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 1j2u h PRO 160 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1j2u h PRO 160 CO 0.77 0.07 -0.41 0.00 -0.23 0.00 0.00 178.00 178.20 1j2u h ALA 161 N 1.93 0.95 -0.08 -0.56 0.00 -1.99 0.85 119.26 120.36 1j2u h ALA 161 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1j2u h ALA 161 Cb 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j2u h ALA 161 CO 0.01 0.63 -0.38 0.28 0.00 0.00 0.00 179.25 179.79 1j2u h VAL 162 N 0.36 1.41 -0.58 0.00 2.07 -1.70 -2.60 116.25 115.21 1j2u h VAL 162 Ca 0.03 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 65.84 1j2u h VAL 162 Cb 0.88 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 1j2u h VAL 162 CO 0.07 0.51 0.30 0.40 0.02 0.00 0.00 177.57 178.88 1j2u h ILE 163 N -0.07 0.96 -0.52 4.57 1.08 -1.05 0.90 117.51 123.38 1j2u h ILE 163 Ca -0.03 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 64.27 1j2u h ILE 163 Cb 1.03 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1j2u h ILE 163 CO 0.08 0.11 0.32 -0.61 -0.69 0.00 0.00 178.15 177.35 1j2u h GLN 164 N 0.58 0.62 -0.51 2.37 4.15 -0.84 0.84 115.11 122.31 1j2u h GLN 164 Ca 0.26 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.65 1j2u h GLN 164 Cb 0.16 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1j2u h GLN 164 CO -0.17 0.41 0.33 1.96 -1.93 0.00 0.00 178.83 179.43 1j2u h GLN 165 N 0.64 0.66 -0.01 1.69 4.20 -0.95 -2.74 115.11 118.61 1j2u h GLN 165 Ca 0.21 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.72 1j2u h GLN 165 Cb 0.01 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1j2u h GLN 165 CO -0.09 0.44 -0.75 -0.07 -0.67 0.00 0.00 178.83 177.69 1j2u h LEU 166 N 0.68 0.07 -6.38 1.46 3.38 -0.09 -3.38 115.31 111.05 1j2u h LEU 166 Ca 0.19 -0.05 -0.59 0.00 0.09 0.00 0.00 57.88 57.52 1j2u h LEU 166 Cb -0.07 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.26 1j2u h LEU 166 CO -0.05 0.79 -0.82 -1.22 0.09 0.00 0.00 178.44 177.24 1j2u n TYR 167 N -3.68 1.38 0.23 1.13 4.02 0.28 -4.95 117.16 115.58 1j2u n TYR 167 Ca -0.01 -3.83 0.11 0.00 -0.01 0.00 0.00 57.90 54.15 1j2u n TYR 167 Cb 0.73 -0.32 0.50 0.00 -0.02 0.00 0.00 39.34 40.22 1j2u n TYR 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1j2u h PRO 168 N 4.75 0.00 -0.27 -0.72 0.13 -1.68 -2.16 132.00 132.05 1j2u h PRO 168 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1j2u h PRO 168 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1j2u h PRO 168 CO 0.60 0.20 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 1j2u n GLU 169 N -3.39 1.63 0.00 0.86 1.02 -1.26 -4.99 120.64 114.51 1j2u n GLU 169 Ca -0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 1j2u n GLU 169 Cb 0.41 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1j2u n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2u n GLY 170 N 0.93 2.07 3.67 0.62 0.00 -0.81 -5.04 105.19 106.64 1j2u n GLY 170 Ca 0.09 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.51 3.39 -2.53 1.61 5.36 -1.26 -4.94 117.98 119.11 1j2u s PHE 171 Ca 0.00 0.73 0.26 0.00 -0.96 0.00 0.00 56.93 56.96 1j2u s PHE 171 Cb 0.00 -2.60 0.71 0.00 -0.34 0.00 0.00 43.02 40.80 1j2u s PHE 171 CO 0.00 -0.02 1.55 1.28 -1.46 0.00 0.00 175.22 176.57 1j2u n LEU 172 N 4.49 1.90 0.00 6.12 7.99 -1.26 -5.06 117.00 131.19 1j2u n LEU 172 Ca -0.06 -0.63 0.00 0.00 -0.01 0.00 0.00 56.01 55.31 1j2u n LEU 172 Cb 0.51 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1j2u n LEU 172 CO 0.41 0.32 0.00 0.61 -1.51 0.00 0.00 177.39 177.22 1j2u n GLY 173 N 1.26 2.85 0.14 -0.72 0.00 -1.26 -4.86 105.19 102.59 1j2u n GLY 173 Ca 0.16 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1j2u n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1j2u h TRP 174 N 0.00 0.00 0.00 1.61 4.06 -2.00 -3.33 115.95 116.29 1j2u h TRP 174 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1j2u h TRP 174 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1j2u h TRP 174 CO 0.00 0.00 0.00 -0.44 -3.56 0.00 0.00 178.44 174.44 1j2u h ASP 175 N 0.00 0.00 -0.22 -3.49 3.45 -1.93 -2.53 116.42 111.71 1j2u h ASP 175 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1j2u h ASP 175 Cb 0.85 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 1j2u h ASP 175 CO 0.00 0.00 0.00 2.30 -1.57 0.00 0.00 179.24 179.97 1j2u n ILE 176 N -2.66 1.53 -1.06 0.35 -5.35 -1.25 -4.67 119.36 106.24 1j2u n ILE 176 Ca 0.00 -1.45 -0.19 0.00 -0.27 0.00 0.00 62.75 60.85 1j2u n ILE 176 Cb 0.21 0.16 -0.01 0.00 -1.74 0.00 0.00 39.64 38.27 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 -0.24 1.96 -3.53 6.28 -0.58 -0.95 -2.53 120.64 121.04 1j2u n GLU 177 Ca 0.13 -1.69 -0.42 0.00 -0.42 0.00 0.00 57.16 54.77 1j2u n GLU 177 Cb 0.57 -1.77 -0.11 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.53 3.24 -1.05 -0.32 5.65 -1.26 -4.35 115.29 115.66 1j2u s HIS 178 Ca 0.40 -0.70 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1j2u s HIS 178 Cb 0.28 -2.51 0.00 0.00 -1.18 0.00 0.00 32.58 29.17 1j2u s HIS 178 CO -0.07 -0.58 0.00 0.41 -0.65 0.00 0.00 174.74 173.85 1j2u n GLY 179 N 5.08 1.14 0.00 1.59 0.00 -1.26 -2.10 105.19 109.64 1j2u n GLY 179 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.66 1.79 0.26 -0.02 0.00 -1.26 -4.35 105.19 99.95 1j2u n GLY 180 Ca -0.10 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 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 1.15 0.91 1.61 2.07 -1.86 -1.90 116.25 118.23 1j2u h VAL 181 Ca 0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1j2u h VAL 181 Cb 0.00 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1j2u h VAL 181 CO 0.00 0.16 -0.44 0.15 0.02 0.00 0.00 177.57 177.46 1j2u h PHE 182 N 0.86 -1.13 -0.61 1.57 3.04 -1.94 0.10 116.94 118.83 1j2u h PHE 182 Ca 0.24 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 1j2u h PHE 182 Cb -0.09 0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1j2u h PHE 182 CO -0.03 -0.70 0.09 0.93 -2.02 0.00 0.00 178.31 176.58 1j2u h GLU 183 N -1.28 1.01 -0.59 1.11 5.08 -1.84 -2.53 114.58 115.54 1j2u h GLU 183 Ca -0.13 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 1j2u h GLU 183 Cb 0.94 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1j2u h GLU 183 CO 0.21 0.95 0.01 1.15 -1.00 0.00 0.00 179.01 180.33 1j2u h THR 184 N 0.92 1.26 -0.27 1.13 2.02 -1.34 -1.09 112.91 115.53 1j2u h THR 184 Ca 0.18 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 1j2u h THR 184 Cb 0.43 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1j2u h THR 184 CO 0.01 0.41 0.07 0.28 0.37 0.00 0.00 175.52 176.66 1j2u h SER 185 N 0.94 0.40 -0.84 4.18 0.02 -0.93 -0.89 113.55 116.44 1j2u h SER 185 Ca 0.17 -0.22 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1j2u h SER 185 Cb 0.53 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 1j2u h SER 185 CO 0.03 0.52 0.51 -0.07 -1.14 0.00 0.00 176.83 176.68 1j2u h LEU 186 N 0.27 0.80 -0.65 5.07 3.38 -1.26 -1.46 115.31 121.47 1j2u h LEU 186 Ca 0.09 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1j2u h LEU 186 Cb 0.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1j2u h LEU 186 CO -0.00 0.51 -0.12 0.24 0.09 0.00 0.00 178.44 179.17 1j2u h MET 187 N 0.94 0.94 -0.41 1.13 2.86 -0.92 -1.43 114.93 118.03 1j2u h MET 187 Ca 0.37 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1j2u h MET 187 Cb 0.18 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1j2u h MET 187 CO -0.18 1.00 0.13 -0.07 1.06 0.00 0.00 176.91 178.85 1j2u h LEU 188 N 0.83 0.54 -0.18 1.22 3.38 -0.52 0.58 115.31 121.17 1j2u h LEU 188 Ca 0.13 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 1j2u h LEU 188 Cb 0.66 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1j2u h LEU 188 CO 0.05 0.53 -0.75 0.00 0.09 0.00 0.00 178.44 178.35 1j2u h ALA 189 N 1.55 0.34 0.02 1.53 0.00 -0.97 -3.34 119.26 118.39 1j2u h ALA 189 Ca 0.14 -0.59 -0.40 0.00 0.00 0.00 0.00 54.91 54.06 1j2u h ALA 189 Cb 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1j2u h ALA 189 CO -0.01 0.69 -2.34 1.28 0.00 0.00 0.00 179.25 178.87 1j2u n LEU 190 N -3.94 2.53 -3.19 0.00 4.77 -0.57 -4.78 117.00 111.82 1j2u n LEU 190 Ca -0.07 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 1j2u n LEU 190 Cb 0.73 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1j2u n LEU 190 CO 0.53 0.76 -0.21 -1.22 -1.33 0.00 0.00 177.39 175.92 1j2u n TYR 191 N -3.69 0.54 0.05 -1.77 4.01 0.20 -4.98 117.16 111.52 1j2u n TYR 191 Ca -0.46 -3.75 0.18 0.00 -0.16 0.00 0.00 57.90 53.72 1j2u n TYR 191 Cb 0.94 -0.41 0.69 0.00 -0.31 0.00 0.00 39.34 40.25 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 3.57 0.00 0.00 -0.72 0.13 -1.62 -0.43 132.00 132.92 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 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1j2u h PRO 192 CO 0.54 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.87 1j2u h ASP 193 N 0.00 0.00 -0.21 1.44 3.45 -1.93 -2.56 116.42 116.61 1j2u h ASP 193 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1j2u h ASP 193 Cb 0.84 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 1j2u h ASP 193 CO -0.00 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.85 1j2u n LEU 194 N -2.51 2.43 -4.14 1.55 4.77 -0.17 -4.83 117.00 114.10 1j2u n LEU 194 Ca 0.01 -0.99 -0.27 0.00 -0.03 0.00 0.00 56.01 54.73 1j2u n LEU 194 Cb 0.19 -0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 1j2u n LEU 194 CO 0.19 0.49 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.55 1j2u s VAL 195 N -1.73 1.51 -0.47 4.08 1.01 -0.97 -3.16 120.40 120.67 1j2u s VAL 195 Ca 0.34 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1j2u s VAL 195 Cb 0.20 -1.30 0.13 0.00 0.00 0.00 0.00 36.38 35.40 1j2u s VAL 195 CO 0.29 0.43 0.22 -0.62 0.00 0.00 0.00 175.10 175.43 1j2u s ASP 196 N 0.13 4.17 0.53 3.32 -1.08 -0.39 -4.97 116.67 118.38 1j2u s ASP 196 Ca -0.07 -2.77 0.20 0.00 -0.52 0.00 0.00 52.55 49.40 1j2u s ASP 196 Cb -0.13 -1.44 1.34 0.00 -1.46 0.00 0.00 42.92 41.22 1j2u s ASP 196 CO 0.03 -0.26 2.08 0.25 0.52 0.00 0.00 175.17 177.79 1j2u h LEU 197 N 6.74 0.00 -2.57 -1.34 5.85 -1.96 -0.25 115.31 121.77 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 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1j2u h LEU 197 CO 0.61 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.15 1j2u h ASP 198 N 0.00 0.00 0.09 1.25 3.32 -1.95 -1.63 116.42 117.50 1j2u h ASP 198 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1j2u h ASP 198 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1j2u h ASP 198 CO -0.00 0.00 -0.09 0.54 -1.72 0.00 0.00 179.24 177.97 1j2u n ARG 199 N -3.00 1.30 -1.76 3.56 1.74 -0.10 -4.91 116.66 113.48 1j2u n ARG 199 Ca -0.02 -0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 55.92 1j2u n ARG 199 Cb 0.11 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1j2u n ARG 199 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j2u s VAL 200 N -2.19 2.12 -0.34 1.55 1.01 -0.62 -4.29 120.40 117.64 1j2u s VAL 200 Ca 0.33 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1j2u s VAL 200 Cb 0.20 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1j2u s VAL 200 CO 0.41 0.01 0.45 -0.69 0.00 0.00 0.00 175.10 175.28 1j2u s VAL 201 N 1.16 5.08 -1.42 2.92 1.01 -1.26 -5.00 120.40 122.89 1j2u s VAL 201 Ca 0.74 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.91 1j2u s VAL 201 Cb -0.49 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1j2u s VAL 201 CO 0.32 -0.14 2.46 -0.67 0.00 0.00 0.00 175.10 177.07 1j2u n ASP 202 N 5.58 7.39 -4.89 3.32 2.03 -1.26 -4.73 116.55 123.99 1j2u n ASP 202 Ca -0.06 -2.94 -0.29 0.00 0.52 0.00 0.00 54.79 52.02 1j2u n ASP 202 Cb 0.49 -1.47 0.01 0.00 -0.72 0.00 0.00 41.12 39.44 1j2u n ASP 202 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1j2u s HIS 203 N 0.52 3.54 0.39 -0.67 -3.43 -1.26 -5.01 115.29 109.36 1j2u s HIS 203 Ca 0.56 1.05 -0.26 0.00 -0.80 0.00 0.00 55.06 55.61 1j2u s HIS 203 Cb 0.16 -2.63 -0.09 0.00 -1.43 0.00 0.00 32.58 28.60 1j2u s HIS 203 CO -0.07 -0.63 1.24 -1.25 -2.00 0.00 0.00 174.74 172.03 1j2u s PRO 204 N -5.05 4.08 0.42 -0.38 0.04 -1.26 -4.25 135.00 128.61 1j2u s PRO 204 Ca 0.53 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.36 1j2u s PRO 204 Cb -0.11 -2.79 -0.11 0.00 0.04 0.00 0.00 34.50 31.53 1j2u s PRO 204 CO 0.50 -0.35 0.83 -0.35 0.04 0.00 0.00 177.00 177.67 1j2u n PRO 205 N 0.25 1.02 -2.37 0.56 -0.04 -1.26 -4.90 135.00 128.26 1j2u n PRO 205 Ca 0.03 0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 1j2u n PRO 205 Cb 0.44 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 1j2u n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j2u s ALA 206 N -1.35 3.44 0.13 0.55 0.00 -0.11 -5.02 121.76 119.40 1j2u s ALA 206 Ca 0.64 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.63 1j2u s ALA 206 Cb -0.57 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 1j2u s ALA 206 CO 0.57 -0.35 -0.15 0.95 0.00 0.00 0.00 175.76 176.78 1j2u s THR 207 N -0.42 1.38 0.04 0.00 -4.23 -1.26 -4.93 115.64 106.22 1j2u s THR 207 Ca 0.51 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.22 1j2u s THR 207 Cb -0.33 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1j2u s THR 207 CO 0.39 -0.40 0.10 -0.36 -0.54 0.00 0.00 174.62 173.82 1j2u s PHE 208 N -2.11 0.20 0.90 3.99 0.40 -1.26 -5.05 117.98 115.06 1j2u s PHE 208 Ca 0.09 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.78 1j2u s PHE 208 Cb -0.05 -0.14 0.13 0.00 0.51 0.00 0.00 43.02 43.47 1j2u s PHE 208 CO 0.03 -0.39 1.10 -1.25 0.70 0.00 0.00 175.22 175.41 1j2u s PRO 209 N -2.79 1.22 0.00 0.24 0.04 -1.26 -4.89 135.00 127.55 1j2u s PRO 209 Ca -0.03 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1j2u s PRO 209 Cb -0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1j2u s PRO 209 CO -0.05 -2.24 1.40 -0.35 0.04 0.00 0.00 177.00 175.80 1j2u n PRO 210 N -3.86 0.89 -3.91 0.56 -0.04 -1.26 -4.77 135.00 122.61 1j2u n PRO 210 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1j2u n PRO 210 Cb 0.56 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.17 0.12 0.17 0.54 -0.85 -1.26 -5.18 117.35 111.07 1j2u s TYR 211 Ca 0.00 -0.51 0.11 0.00 -0.52 0.00 0.00 57.07 56.15 1j2u s TYR 211 Cb 0.00 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1j2u s TYR 211 CO 0.00 -1.04 -0.25 -0.51 -1.52 0.00 0.00 175.55 172.23 1j2u s ASP 212 N -2.96 3.38 -0.04 -0.18 1.11 -1.26 -5.10 116.67 111.62 1j2u s ASP 212 Ca 0.17 -0.83 0.04 0.00 0.18 0.00 0.00 52.55 52.11 1j2u s ASP 212 Cb -0.02 -0.24 -0.00 0.00 1.07 0.00 0.00 42.92 43.73 1j2u s ASP 212 CO 0.06 0.14 -0.15 -0.69 1.18 0.00 0.00 175.17 175.71 1j2u s VAL 213 N -1.46 1.28 -0.02 -1.27 1.01 -1.26 -5.13 120.40 113.55 1j2u s VAL 213 Ca 0.18 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1j2u s VAL 213 Cb -0.09 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1j2u s VAL 213 CO 0.08 0.37 -0.11 -0.36 0.00 0.00 0.00 175.10 175.08 1j2u s PHE 214 N 0.03 1.09 0.73 5.22 0.08 -1.26 -3.49 117.98 120.38 1j2u s PHE 214 Ca -0.03 -0.24 -0.16 0.00 0.12 0.00 0.00 56.93 56.63 1j2u s PHE 214 Cb -0.10 -0.73 0.04 0.00 -0.57 0.00 0.00 43.02 41.65 1j2u s PHE 214 CO 0.01 -0.06 1.25 -2.14 -0.10 0.00 0.00 175.22 174.19 1j2u s PRO 215 N -0.09 2.08 0.17 0.24 0.02 -1.26 -5.07 135.00 131.10 1j2u s PRO 215 Ca 0.01 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.64 1j2u s PRO 215 Cb -0.07 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 1j2u s PRO 215 CO 0.00 -1.92 1.51 0.54 -0.33 0.00 0.00 177.00 176.81 1j2u s VAL 216 N -1.76 2.74 -0.47 3.83 0.11 -1.23 -4.97 120.40 118.66 1j2u s VAL 216 Ca 0.78 0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 60.14 1j2u s VAL 216 Cb -0.33 -3.35 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1j2u s VAL 216 CO 0.45 0.05 0.83 -0.62 -3.33 0.00 0.00 175.10 172.49 1j2u s ASP 217 N 0.99 6.41 0.56 3.54 3.68 -1.26 -4.95 116.67 125.63 1j2u s ASP 217 Ca 0.67 -0.13 0.23 0.00 2.13 0.00 0.00 52.55 55.45 1j2u s ASP 217 Cb -0.42 -2.40 1.56 0.00 -1.45 0.00 0.00 42.92 40.20 1j2u s ASP 217 CO 0.33 -0.99 2.20 -0.65 0.13 0.00 0.00 175.17 176.20 1j2u h PRO 218 N 9.05 0.00 0.00 4.34 0.11 -1.94 -1.84 132.00 141.72 1j2u h PRO 218 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1j2u h PRO 218 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j2u h PRO 218 CO 0.99 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.72 1j2u h ALA 219 N 2.00 1.46 0.00 -0.75 0.00 -2.00 -2.02 119.26 117.94 1j2u h ALA 219 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j2u h ALA 219 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j2u h ALA 219 CO -0.00 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1j2u n ARG 220 N -3.83 0.66 -4.57 0.00 1.74 -0.69 -4.65 116.66 105.31 1j2u n ARG 220 Ca -0.02 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 1j2u n ARG 220 Cb 0.15 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.33 3.71 0.27 0.55 2.01 -0.76 -4.92 115.64 114.17 1j2u s THR 221 Ca 0.36 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 1j2u s THR 221 Cb 0.21 -2.55 -0.13 0.00 0.01 0.00 0.00 72.50 70.03 1j2u s THR 221 CO 0.41 0.56 1.38 -2.65 -0.69 0.00 0.00 174.62 173.64 1j2u n PRO 222 N 2.71 2.10 -0.31 4.92 -0.02 -1.26 -4.86 135.00 138.27 1j2u n PRO 222 Ca -0.18 0.74 0.16 0.00 -2.02 0.00 0.00 63.50 62.20 1j2u n PRO 222 Cb 0.53 -2.38 0.33 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.74 1.37 0.00 3.55 0.00 -1.90 0.11 119.26 126.12 1j2u h ALA 223 Ca -0.45 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1j2u h ALA 223 Cb 1.27 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1j2u h ALA 223 CO 0.72 -0.55 0.00 -1.35 0.00 0.00 0.00 179.25 178.06 1j2u h PRO 224 N 0.13 0.00 0.00 0.00 0.11 -1.97 -3.47 132.00 126.81 1j2u h PRO 224 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1j2u h PRO 224 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1j2u h PRO 224 CO -0.74 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.46 1j2u n GLY 225 N -0.14 1.67 3.84 -0.55 0.00 0.37 -3.74 105.19 106.62 1j2u n GLY 225 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.46 -0.79 2.61 -4.23 -1.26 -4.51 115.64 109.44 1j2u s THR 226 Ca 0.00 1.23 0.21 0.00 -1.18 0.00 0.00 61.69 61.95 1j2u s THR 226 Cb 0.00 -3.68 -0.25 0.00 1.34 0.00 0.00 72.50 69.91 1j2u s THR 226 CO 0.00 -0.62 0.81 0.18 -0.54 0.00 0.00 174.62 174.44 1j2u n LEU 227 N -1.47 0.79 -3.70 4.79 4.77 -0.89 -4.38 117.00 116.91 1j2u n LEU 227 Ca 0.07 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 1j2u n LEU 227 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1j2u n LEU 227 CO 0.45 0.20 0.10 -0.94 -1.33 0.00 0.00 177.39 175.87 1j2u s SER 228 N -3.28 -0.15 0.12 -1.43 1.04 -1.05 -0.93 113.70 108.02 1j2u s SER 228 Ca 0.05 -0.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 1j2u s SER 228 Cb 0.15 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.66 1j2u s SER 228 CO 0.87 -0.84 0.96 -0.55 0.98 0.00 0.00 173.24 174.66 1j2u s SER 229 N -2.83 7.51 -0.13 7.02 0.15 -1.26 -4.14 113.70 120.03 1j2u s SER 229 Ca 0.04 1.81 0.15 0.00 0.70 0.00 0.00 55.95 58.65 1j2u s SER 229 Cb 0.02 -2.59 0.66 0.00 -1.71 0.00 0.00 66.02 62.40 1j2u s SER 229 CO -0.11 -0.05 1.54 0.00 1.20 0.00 0.00 173.24 175.83 1j2u n ALA 230 N 2.69 3.22 -0.30 5.45 0.00 -1.26 -3.93 120.51 126.38 1j2u n ALA 230 Ca 0.02 -1.46 0.12 0.00 0.00 0.00 0.00 53.44 52.12 1j2u n ALA 230 Cb 0.49 -1.05 0.29 0.00 0.00 0.00 0.00 19.45 19.18 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 3.59 0.33 -0.47 0.00 3.64 -1.93 0.66 116.57 122.40 1j2u h LYS 231 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1j2u h LYS 231 Cb 1.44 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1j2u h LYS 231 CO 0.27 0.22 0.00 0.25 -2.27 0.00 0.00 179.45 177.92 1j2u n THR 232 N -5.09 0.70 -1.89 1.00 -2.24 -1.26 -4.94 114.28 100.55 1j2u n THR 232 Ca 0.21 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 1j2u n THR 232 Cb 0.64 0.18 0.05 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.53 2.48 0.07 6.98 0.00 0.22 -5.03 121.76 124.96 1j2u s ALA 233 Ca 0.28 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 1j2u s ALA 233 Cb 0.16 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1j2u s ALA 233 CO 0.17 -1.36 0.35 -1.54 0.00 0.00 0.00 175.76 173.38 1j2u s SER 234 N -1.48 -0.18 0.24 0.00 1.04 -1.26 -4.94 113.70 107.13 1j2u s SER 234 Ca 0.80 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.97 1j2u s SER 234 Cb -0.34 0.40 0.37 0.00 0.10 0.00 0.00 66.02 66.56 1j2u s SER 234 CO 0.36 -0.70 1.82 -0.09 0.98 0.00 0.00 173.24 175.61 1j2u h ARG 235 N 2.91 0.79 -0.54 4.02 2.43 -1.85 -2.11 114.38 120.03 1j2u h ARG 235 Ca -0.32 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1j2u h ARG 235 Cb 1.21 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1j2u h ARG 235 CO 0.46 0.52 0.23 0.93 -1.51 0.00 0.00 179.97 180.60 1j2u h GLU 236 N 0.81 0.79 -0.85 0.20 3.07 -1.95 0.19 114.58 116.84 1j2u h GLU 236 Ca 0.38 -0.14 0.07 0.00 -0.50 0.00 0.00 59.36 59.18 1j2u h GLU 236 Cb 0.31 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.03 1j2u h GLU 236 CO -0.23 0.68 0.52 0.87 -1.40 0.00 0.00 179.01 179.45 1j2u h LYS 237 N 0.72 0.91 -0.61 2.33 1.57 -1.81 -2.04 116.57 117.64 1j2u h LYS 237 Ca 0.18 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1j2u h LYS 237 Cb 0.17 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1j2u h LYS 237 CO -0.02 0.60 0.25 0.78 -0.57 0.00 0.00 179.45 180.49 1j2u h GLY 238 N 0.94 0.97 1.09 3.86 0.00 -0.64 -0.37 103.07 108.92 1j2u h GLY 238 Ca 0.38 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1j2u h GLY 238 CO -0.18 0.50 0.54 0.83 0.00 0.00 0.00 176.54 178.22 1j2u h GLU 239 N 0.85 1.20 0.01 4.80 5.08 -0.61 -0.38 114.58 125.53 1j2u h GLU 239 Ca 0.20 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1j2u h GLU 239 Cb 0.20 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1j2u h GLU 239 CO -0.02 0.84 -0.01 1.25 -1.00 0.00 0.00 179.01 180.07 1j2u h LEU 240 N 1.22 -0.01 -0.61 1.33 5.85 -0.87 -1.94 115.31 120.28 1j2u h LEU 240 Ca 0.32 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.77 1j2u h LEU 240 Cb -0.06 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 1j2u h LEU 240 CO -0.06 0.37 0.17 0.40 -0.34 0.00 0.00 178.44 178.98 1j2u h ILE 241 N -0.40 0.68 -0.29 4.05 2.04 -0.88 -0.99 117.51 121.71 1j2u h ILE 241 Ca -0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1j2u h ILE 241 Cb 0.39 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1j2u h ILE 241 CO 0.00 0.06 0.15 0.25 0.00 0.00 0.00 178.15 178.61 1j2u h LEU 242 N 0.31 0.38 -0.51 1.44 5.85 -0.96 0.62 115.31 122.44 1j2u h LEU 242 Ca 0.32 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1j2u h LEU 242 Cb 0.45 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1j2u h LEU 242 CO -0.37 0.37 0.29 -0.33 -0.34 0.00 0.00 178.44 178.06 1j2u h GLU 243 N 0.35 0.71 -0.05 1.25 4.39 -0.85 -1.58 114.58 118.80 1j2u h GLU 243 Ca 0.10 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1j2u h GLU 243 Cb 0.09 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1j2u h GLU 243 CO -0.01 0.54 0.01 0.28 -1.16 0.00 0.00 179.01 178.66 1j2u h VAL 244 N 0.68 1.21 -0.20 3.13 2.07 -0.95 -2.40 116.25 119.79 1j2u h VAL 244 Ca 0.18 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1j2u h VAL 244 Cb 0.03 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1j2u h VAL 244 CO -0.03 0.18 0.08 0.00 0.02 0.00 0.00 177.57 177.82 1j2u h VAL 246 N 0.17 1.09 -0.05 0.00 2.07 -1.34 -0.57 116.25 117.62 1j2u h VAL 246 Ca 0.07 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1j2u h VAL 246 Cb 0.18 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1j2u h VAL 246 CO -0.01 0.12 0.02 -0.61 0.02 0.00 0.00 177.57 177.12 1j2u h GLN 247 N 0.67 0.07 -0.65 1.57 5.75 -1.35 -0.66 115.11 120.51 1j2u h GLN 247 Ca 0.21 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1j2u h GLN 247 Cb -0.02 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 1j2u h GLN 247 CO -0.07 0.20 0.23 0.78 -2.65 0.00 0.00 178.83 177.32 1j2u h GLY 248 N -0.08 1.06 0.93 2.39 0.00 -1.18 -1.10 103.07 105.09 1j2u h GLY 248 Ca 0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 1j2u h GLY 248 CO -0.00 0.57 -0.18 -2.22 0.00 0.00 0.00 176.54 174.70 1j2u h ILE 249 N 0.93 1.30 -0.50 2.60 2.04 -1.04 -1.10 117.51 121.73 1j2u h ILE 249 Ca 0.21 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.82 1j2u h ILE 249 Cb 0.25 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1j2u h ILE 249 CO -0.01 0.42 0.23 0.00 0.00 0.00 0.00 178.15 178.79 1j2u h ALA 250 N 0.74 0.63 -0.06 1.87 0.00 -0.96 -0.24 119.26 121.25 1j2u h ALA 250 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j2u h ALA 250 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1j2u h ALA 250 CO 0.05 -0.13 0.02 -0.44 0.00 0.00 0.00 179.25 178.75 1j2u h ASP 251 N 0.45 0.03 -0.62 0.00 3.32 -1.05 -1.68 116.42 116.88 1j2u h ASP 251 Ca 0.23 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.33 1j2u h ASP 251 Cb 0.17 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1j2u h ASP 251 CO -0.18 0.03 0.35 0.00 -1.72 0.00 0.00 179.24 177.72 1j2u h ALA 252 N 1.04 0.81 -0.48 3.45 0.00 -0.75 -1.15 119.26 122.17 1j2u h ALA 252 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1j2u h ALA 252 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1j2u h ALA 252 CO -0.03 0.04 0.12 0.82 0.00 0.00 0.00 179.25 180.20 1j2u h ILE 253 N 0.67 1.24 -0.52 0.00 2.04 -0.91 -0.22 117.51 119.80 1j2u h ILE 253 Ca 0.27 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1j2u h ILE 253 Cb 0.12 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1j2u h ILE 253 CO -0.15 0.30 0.27 0.03 0.00 0.00 0.00 178.15 178.61 1j2u h ARG 254 N 0.66 0.72 -0.04 2.37 3.08 -0.99 1.05 114.38 121.22 1j2u h ARG 254 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1j2u h ARG 254 Cb 0.33 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1j2u h ARG 254 CO 0.00 0.54 -0.00 1.49 -1.07 0.00 0.00 179.97 180.92 1j2u h GLU 255 N 0.72 0.08 0.00 0.04 4.57 -0.80 -2.67 114.58 116.53 1j2u h GLU 255 Ca 0.18 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.16 1j2u h GLU 255 Cb 0.04 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1j2u h GLU 255 CO -0.03 0.38 -0.85 0.93 -1.18 0.00 0.00 179.01 178.26 1j2u h GLU 256 N -0.23 0.04 -2.56 1.92 4.39 -0.57 -3.37 114.58 114.19 1j2u h GLU 256 Ca 0.01 -0.05 -0.60 0.00 0.34 0.00 0.00 59.36 59.06 1j2u h GLU 256 Cb 0.35 0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 28.61 1j2u h GLU 256 CO 0.00 0.87 -0.78 1.19 -1.16 0.00 0.00 179.01 179.13 1j2u n PHE 257 N -3.57 1.47 -1.58 4.33 3.72 0.36 -5.08 117.46 117.10 1j2u n PHE 257 Ca -0.01 -3.86 -0.32 0.00 -0.05 0.00 0.00 57.45 53.20 1j2u n PHE 257 Cb 0.81 -0.29 0.06 0.00 -0.94 0.00 0.00 39.48 39.12 1j2u n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1j2u s PRO 258 N -1.09 2.59 0.00 -1.08 0.02 -1.01 -4.46 135.00 129.97 1j2u s PRO 258 Ca 0.31 1.34 0.02 0.00 0.02 0.00 0.00 61.00 62.69 1j2u s PRO 258 Cb 0.04 -1.93 0.14 0.00 0.02 0.00 0.00 34.50 32.78 1j2u s PRO 258 CO -0.15 -1.41 0.63 -2.30 -0.33 0.00 0.00 177.00 173.45