#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2t n SER 4 N 0.00 -1.02 -0.85 3.14 2.88 -1.26 -4.92 113.62 111.59 1j2t n SER 4 Ca 0.00 0.90 0.12 0.00 -1.33 0.00 0.00 58.87 58.56 1j2t n SER 4 Cb 0.00 -1.10 0.23 0.00 -0.75 0.00 0.00 64.21 62.59 1j2t n SER 4 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1j2t n VAL 5 N -0.88 0.07 -3.35 2.46 0.24 -1.26 -4.90 118.33 110.70 1j2t n VAL 5 Ca 0.11 -0.46 -0.39 0.00 -2.04 0.00 0.00 64.34 61.56 1j2t n VAL 5 Cb 0.40 1.14 -0.08 0.00 -1.47 0.00 0.00 33.84 33.82 1j2t n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j2t s PHE 6 N -1.93 3.27 0.29 6.34 0.40 -1.26 0.84 117.98 125.93 1j2t s PHE 6 Ca 0.32 0.49 0.04 0.00 -0.60 0.00 0.00 56.93 57.18 1j2t s PHE 6 Cb 0.20 -2.60 0.65 0.00 0.51 0.00 0.00 43.02 41.78 1j2t s PHE 6 CO 0.31 -0.21 1.80 0.28 0.70 0.00 0.00 175.22 178.10 1j2t h VAL 7 N 5.34 0.81 -0.04 -0.44 2.07 -1.19 -0.21 116.25 122.59 1j2t h VAL 7 Ca -0.31 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1j2t h VAL 7 Cb 1.16 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1j2t h VAL 7 CO 0.67 0.16 0.04 1.23 0.02 0.00 0.00 177.57 179.69 1j2t h GLY 8 N 0.87 0.00 -1.53 2.17 0.00 -1.94 -1.73 103.07 100.91 1j2t h GLY 8 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1j2t h GLY 8 CO -0.33 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.39 1j2t n GLU 9 N -3.95 2.14 -3.92 4.80 1.02 -0.10 -4.92 120.64 115.71 1j2t n GLU 9 Ca -0.02 -1.68 -0.23 0.00 -0.02 0.00 0.00 57.16 55.21 1j2t n GLU 9 Cb 0.13 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1j2t n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1j2t s LEU 10 N -1.81 4.31 0.65 -4.62 1.43 -0.65 -4.95 118.68 113.03 1j2t s LEU 10 Ca 0.33 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1j2t s LEU 10 Cb 0.21 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 1j2t s LEU 10 CO 0.31 -0.04 1.03 0.42 0.23 0.00 0.00 176.35 178.30 1j2t s THR 11 N -1.91 4.00 0.42 5.49 -4.23 -1.26 -4.90 115.64 113.25 1j2t s THR 11 Ca 0.35 0.54 0.11 0.00 -1.18 0.00 0.00 61.69 61.51 1j2t s THR 11 Cb -0.10 -3.63 0.19 0.00 1.34 0.00 0.00 72.50 70.30 1j2t s THR 11 CO 0.29 -0.80 1.98 4.11 -0.54 0.00 0.00 174.62 179.66 1j2t h TRP 12 N -0.43 0.21 -0.44 3.99 5.08 -1.99 -1.54 115.95 120.83 1j2t h TRP 12 Ca -0.45 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.46 1j2t h TRP 12 Cb 1.23 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 27.31 1j2t h TRP 12 CO 0.56 0.28 0.07 0.87 -1.28 0.00 0.00 178.44 178.94 1j2t h LYS 13 N 0.20 0.72 -0.31 0.12 1.79 -1.99 0.04 116.57 117.15 1j2t h LYS 13 Ca 0.04 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1j2t h LYS 13 Cb 0.26 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1j2t h LYS 13 CO 0.01 0.75 0.15 0.93 -1.08 0.00 0.00 179.45 180.21 1j2t h GLU 14 N 0.58 0.45 0.13 3.15 5.08 -1.79 -0.97 114.58 121.21 1j2t h GLU 14 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1j2t h GLU 14 Cb 0.38 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1j2t h GLU 14 CO 0.01 0.43 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.47 1j2t h TYR 15 N 0.37 -0.16 -0.79 4.33 3.20 -1.25 -1.74 116.97 120.93 1j2t h TYR 15 Ca 0.11 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.11 1j2t h TYR 15 Cb 0.13 0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.36 1j2t h TYR 15 CO -0.02 -0.08 0.37 1.49 -1.64 0.00 0.00 178.16 178.29 1j2t h GLU 16 N -0.19 0.54 -0.39 1.82 4.81 -0.84 -0.62 114.58 119.70 1j2t h GLU 16 Ca -0.02 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1j2t h GLU 16 Cb 0.15 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1j2t h GLU 16 CO 0.03 0.35 -0.15 0.00 -0.73 0.00 0.00 179.01 178.52 1j2t h ALA 17 N 1.53 1.00 -0.53 2.92 0.00 -0.95 0.51 119.26 123.74 1j2t h ALA 17 Ca 0.43 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1j2t h ALA 17 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1j2t h ALA 17 CO -0.36 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 1j2t h ARG 18 N 0.65 1.02 -0.13 0.00 2.47 -0.29 -2.51 114.38 115.59 1j2t h ARG 18 Ca 0.11 -0.39 -0.16 0.00 -1.26 0.00 0.00 59.98 58.28 1j2t h ARG 18 Cb 0.62 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1j2t h ARG 18 CO 0.04 1.07 -0.60 0.28 0.56 0.00 0.00 179.97 181.33 1j2t h VAL 19 N 0.90 1.35 0.00 2.04 2.07 -0.97 -3.02 116.25 118.62 1j2t h VAL 19 Ca 0.14 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 1j2t h VAL 19 Cb 0.69 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1j2t h VAL 19 CO 0.05 0.58 -0.12 0.00 0.02 0.00 0.00 177.57 178.10 1j2t h ALA 20 N 1.02 1.40 -0.05 1.67 0.00 -0.71 -2.70 119.26 119.90 1j2t h ALA 20 Ca -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1j2t h ALA 20 Cb 1.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1j2t h ALA 20 CO 0.10 0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.55 1j2t h ALA 21 N 1.88 1.87 0.00 0.00 0.00 -1.31 -3.47 119.26 118.23 1j2t h ALA 21 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j2t h ALA 21 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j2t h ALA 21 CO 0.02 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1j2t n GLY 22 N -1.47 1.49 0.38 0.00 0.00 -1.02 -4.90 105.19 99.67 1j2t n GLY 22 Ca -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1j2t n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j2t n ASP 23 N 0.05 1.79 -4.69 1.61 3.85 -1.26 -5.00 116.55 112.90 1j2t n ASP 23 Ca 0.00 -3.15 -0.42 0.00 -0.71 0.00 0.00 54.79 50.51 1j2t n ASP 23 Cb 0.00 -0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 39.31 1j2t n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j2t s VAL 25 N 2.62 5.06 0.04 0.00 1.01 -1.26 -4.26 120.40 123.61 1j2t s VAL 25 Ca 0.79 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1j2t s VAL 25 Cb -0.45 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1j2t s VAL 25 CO 0.35 0.38 0.06 -0.76 0.00 0.00 0.00 175.10 175.13 1j2t s LEU 26 N 0.88 3.74 -0.04 3.92 1.43 -0.49 -1.44 118.68 126.67 1j2t s LEU 26 Ca 0.06 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1j2t s LEU 26 Cb -0.13 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1j2t s LEU 26 CO 0.03 0.22 -0.13 -0.04 0.23 0.00 0.00 176.35 176.66 1j2t s MET 27 N -2.03 1.44 -0.24 1.70 -1.94 0.34 -0.08 119.30 118.49 1j2t s MET 27 Ca 0.25 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 1j2t s MET 27 Cb -0.12 -1.26 0.06 0.00 2.01 0.00 0.00 34.83 35.52 1j2t s MET 27 CO 0.17 0.13 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.08 1j2t s LEU 28 N 0.30 2.76 0.23 -0.03 2.96 0.65 0.02 118.68 125.56 1j2t s LEU 28 Ca -0.07 -1.24 -0.30 0.00 -0.22 0.00 0.00 54.13 52.31 1j2t s LEU 28 Cb -0.12 -1.25 -0.09 0.00 0.50 0.00 0.00 46.19 45.24 1j2t s LEU 28 CO 0.02 -0.23 1.15 -2.84 -1.32 0.00 0.00 176.35 173.13 1j2t s PRO 29 N 1.34 4.55 -0.24 0.98 0.02 -1.26 -1.12 135.00 139.27 1j2t s PRO 29 Ca -0.06 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1j2t s PRO 29 Cb -0.19 -3.21 0.06 0.00 0.02 0.00 0.00 34.50 31.18 1j2t s PRO 29 CO -0.06 0.04 -0.03 0.08 -0.33 0.00 0.00 177.00 176.71 1j2t s VAL 30 N -0.58 1.39 0.00 3.83 1.01 -0.09 -0.95 120.40 125.01 1j2t s VAL 30 Ca 0.49 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1j2t s VAL 30 Cb -0.32 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1j2t s VAL 30 CO 0.39 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1j2t n GLY 31 N 4.71 4.00 3.57 4.51 0.00 0.03 -0.71 105.19 121.31 1j2t n GLY 31 Ca -0.10 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 1j2t n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2t s ALA 32 N -2.21 -1.97 -0.33 4.61 0.00 -1.23 -3.10 121.76 117.53 1j2t s ALA 32 Ca 0.00 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 1j2t s ALA 32 Cb 0.00 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.32 1j2t s ALA 32 CO 0.00 -0.68 0.06 -1.17 0.00 0.00 0.00 175.76 173.97 1j2t s LEU 33 N -2.38 4.20 -0.11 0.00 2.96 -1.14 -4.13 118.68 118.08 1j2t s LEU 33 Ca 0.08 -1.29 -0.17 0.00 -0.22 0.00 0.00 54.13 52.54 1j2t s LEU 33 Cb -0.01 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.94 1j2t s LEU 33 CO -0.06 -0.31 0.43 -0.70 -1.32 0.00 0.00 176.35 174.38 1j2t s GLU 34 N 1.30 0.60 0.33 1.98 2.12 -0.36 -1.30 118.70 123.38 1j2t s GLU 34 Ca -0.03 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 1j2t s GLU 34 Cb -0.20 0.29 -0.12 0.00 0.26 0.00 0.00 34.13 34.35 1j2t s GLU 34 CO 0.00 -0.12 1.34 0.00 -0.54 0.00 0.00 175.26 175.94 1j2t n GLN 35 N 2.25 2.19 -2.62 4.30 -0.00 -1.26 -4.33 117.38 117.91 1j2t n GLN 35 Ca -0.16 0.77 -0.12 0.00 -0.00 0.00 0.00 57.00 57.49 1j2t n GLN 35 Cb 0.57 -2.39 0.03 0.00 -0.00 0.00 0.00 30.24 28.45 1j2t n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1j2t n HIS 36 N 0.68 1.70 -3.39 2.61 8.25 -1.26 -4.97 115.22 118.83 1j2t n HIS 36 Ca 0.06 -2.71 0.00 0.00 -0.26 0.00 0.00 57.72 54.81 1j2t n HIS 36 Cb 0.36 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1j2t n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j2t n GLY 37 N -0.27 -2.11 0.15 -1.41 0.00 -1.25 -3.72 105.19 96.58 1j2t n GLY 37 Ca 0.16 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.83 1j2t n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j2t h HIS 38 N 0.00 0.00 -0.02 1.61 3.86 -1.83 -3.37 115.15 115.40 1j2t h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1j2t h HIS 38 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1j2t h HIS 38 CO 0.00 0.00 -0.08 -2.39 0.86 0.00 0.00 177.93 176.32 1j2t n HIS 39 N -2.63 0.00 -3.97 2.45 1.44 -1.26 -4.87 115.22 106.38 1j2t n HIS 39 Ca 0.04 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.67 1j2t n HIS 39 Cb 0.48 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.50 1j2t n HIS 39 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1j2t s MET 40 N -1.42 0.59 1.02 -1.40 0.00 -1.24 -0.73 119.30 116.12 1j2t s MET 40 Ca 0.16 -0.88 -0.17 0.00 0.00 0.00 0.00 55.69 54.81 1j2t s MET 40 Cb 0.13 0.22 0.22 0.00 0.00 0.00 0.00 34.83 35.40 1j2t s MET 40 CO 0.24 -0.14 1.26 0.00 0.00 0.00 0.00 175.02 176.39 1j2t n MET 42 N -4.01 0.70 -0.58 0.00 0.00 -1.26 -4.21 117.12 107.75 1j2t n MET 42 Ca 0.14 -0.52 0.08 0.00 0.00 0.00 0.00 57.70 57.41 1j2t n MET 42 Cb 0.59 -1.49 0.33 0.00 0.00 0.00 0.00 33.22 32.66 1j2t n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1j2t n ASN 43 N -0.70 4.43 -0.24 7.83 2.04 -1.26 -1.23 115.26 126.13 1j2t n ASN 43 Ca 0.09 -2.43 0.04 0.00 -0.44 0.00 0.00 54.58 51.83 1j2t n ASN 43 Cb 0.39 -0.56 0.14 0.00 -2.53 0.00 0.00 39.78 37.21 1j2t n ASN 43 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1j2t h VAL 44 N 3.72 0.37 0.00 3.53 2.07 -1.83 -0.59 116.25 123.52 1j2t h VAL 44 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j2t h VAL 44 Cb 1.38 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1j2t h VAL 44 CO 0.23 0.02 0.00 0.44 0.02 0.00 0.00 177.57 178.28 1j2t h ASP 45 N 0.09 0.00 0.00 0.57 5.19 -1.81 -0.68 116.42 119.78 1j2t h ASP 45 Ca 0.39 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.58 1j2t h ASP 45 Cb 0.66 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 1j2t h ASP 45 CO -0.64 0.00 -1.26 0.52 -3.12 0.00 0.00 179.24 174.73 1j2t n VAL 46 N -2.63 1.51 -0.20 -1.35 0.31 -0.46 -4.01 118.33 111.50 1j2t n VAL 46 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1j2t n VAL 46 Cb 0.19 -2.09 0.11 0.00 -0.91 0.00 0.00 33.84 31.14 1j2t n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1j2t h LEU 47 N -1.00 0.11 0.40 7.52 3.38 -0.72 -2.27 115.31 122.73 1j2t h LEU 47 Ca -0.32 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1j2t h LEU 47 Cb 1.20 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1j2t h LEU 47 CO -0.20 0.06 -0.19 -0.07 0.09 0.00 0.00 178.44 178.14 1j2t h LEU 48 N 0.33 -0.45 -1.60 1.67 3.38 -1.37 -1.01 115.31 116.25 1j2t h LEU 48 Ca 0.31 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1j2t h LEU 48 Cb 0.43 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1j2t h LEU 48 CO -0.36 -0.10 0.20 1.55 0.09 0.00 0.00 178.44 179.82 1j2t h PRO 49 N -0.85 0.47 -0.40 1.13 0.13 -1.75 -1.54 132.00 129.18 1j2t h PRO 49 Ca -0.05 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1j2t h PRO 49 Cb 0.55 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 1j2t h PRO 49 CO 0.09 0.34 0.11 1.15 -0.23 0.00 0.00 178.00 179.45 1j2t h THR 50 N 0.47 1.22 -0.72 1.56 2.02 -1.26 0.24 112.91 116.45 1j2t h THR 50 Ca 0.13 -0.76 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1j2t h THR 50 Cb -0.00 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1j2t h THR 50 CO -0.02 0.27 0.20 0.00 0.37 0.00 0.00 175.52 176.33 1j2t h ALA 51 N 0.96 1.00 -0.35 6.16 0.00 -0.71 -0.00 119.26 126.31 1j2t h ALA 51 Ca 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1j2t h ALA 51 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j2t h ALA 51 CO -0.00 0.66 -0.10 0.28 0.00 0.00 0.00 179.25 180.09 1j2t h VAL 52 N 1.08 1.28 -0.49 0.00 2.07 -1.13 -2.41 116.25 116.65 1j2t h VAL 52 Ca 0.23 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1j2t h VAL 52 Cb 0.33 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1j2t h VAL 52 CO -0.00 0.38 0.24 0.00 0.02 0.00 0.00 177.57 178.21 1j2t h LYS 54 N 0.48 0.30 -0.35 0.00 3.64 -0.85 0.14 116.57 119.93 1j2t h LYS 54 Ca 0.21 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1j2t h LYS 54 Cb 0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1j2t h LYS 54 CO -0.15 0.20 -0.01 0.00 -2.27 0.00 0.00 179.45 177.21 1j2t h ARG 55 N 0.31 0.62 -0.41 1.90 3.08 -1.13 -1.14 114.38 117.60 1j2t h ARG 55 Ca 0.17 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1j2t h ARG 55 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1j2t h ARG 55 CO -0.16 0.75 0.26 0.28 -1.07 0.00 0.00 179.97 180.03 1j2t h VAL 56 N 0.43 1.12 -0.91 2.04 2.07 -0.82 -2.27 116.25 117.90 1j2t h VAL 56 Ca 0.10 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1j2t h VAL 56 Cb 0.47 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1j2t h VAL 56 CO 0.02 0.12 0.56 0.00 0.02 0.00 0.00 177.57 178.28 1j2t h ALA 57 N 1.13 1.16 -0.86 1.67 0.00 -0.50 -0.01 119.26 121.85 1j2t h ALA 57 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1j2t h ALA 57 Cb -0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.34 1j2t h ALA 57 CO -0.03 0.61 0.56 0.93 0.00 0.00 0.00 179.25 181.31 1j2t h GLU 58 N 1.25 1.06 -0.25 0.00 5.08 -1.03 0.10 114.58 120.79 1j2t h GLU 58 Ca 0.33 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1j2t h GLU 58 Cb -0.07 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 1j2t h GLU 58 CO -0.06 0.70 -0.41 0.00 -1.00 0.00 0.00 179.01 178.24 1j2t h ARG 59 N 1.09 0.71 -0.10 2.33 3.08 -0.65 -3.35 114.38 117.50 1j2t h ARG 59 Ca 0.34 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1j2t h ARG 59 Cb -0.03 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1j2t h ARG 59 CO -0.10 1.06 0.00 0.44 -1.07 0.00 0.00 179.97 180.29 1j2t n ILE 60 N -4.19 0.14 -2.55 2.04 -5.35 -0.13 -4.98 119.36 104.34 1j2t n ILE 60 Ca -0.05 -0.57 -0.05 0.00 -0.27 0.00 0.00 62.75 61.81 1j2t n ILE 60 Cb 0.54 1.24 0.01 0.00 -1.74 0.00 0.00 39.64 39.69 1j2t n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j2t n GLY 61 N 0.99 0.48 3.98 3.28 0.00 0.28 -5.04 105.19 109.17 1j2t n GLY 61 Ca 0.11 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1j2t n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2t s ALA 62 N -2.82 4.50 0.09 4.61 0.00 -0.71 -4.72 121.76 122.72 1j2t s ALA 62 Ca 0.09 -1.83 0.09 0.00 0.00 0.00 0.00 51.96 50.31 1j2t s ALA 62 Cb -0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1j2t s ALA 62 CO 0.12 -0.49 -0.24 -0.51 0.00 0.00 0.00 175.76 174.64 1j2t s LEU 63 N -4.41 2.27 -0.16 0.00 1.43 -0.52 -4.67 118.68 112.61 1j2t s LEU 63 Ca 0.54 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1j2t s LEU 63 Cb -0.06 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1j2t s LEU 63 CO 0.33 0.15 -0.12 -0.69 0.23 0.00 0.00 176.35 176.25 1j2t s VAL 64 N -1.02 3.02 0.56 -1.59 1.01 0.25 -0.50 120.40 122.13 1j2t s VAL 64 Ca 0.10 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1j2t s VAL 64 Cb -0.10 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1j2t s VAL 64 CO 0.04 0.50 0.97 -0.04 0.00 0.00 0.00 175.10 176.58 1j2t s MET 65 N 0.73 3.72 0.22 2.72 -1.94 0.10 -0.57 119.30 124.27 1j2t s MET 65 Ca -0.05 0.74 -0.32 0.00 -1.71 0.00 0.00 55.69 54.35 1j2t s MET 65 Cb -0.15 -2.15 -0.14 0.00 2.01 0.00 0.00 34.83 34.40 1j2t s MET 65 CO 0.02 -0.40 1.37 -2.30 -0.01 0.00 0.00 175.02 173.69 1j2t n PRO 66 N -2.23 1.86 -2.29 2.03 -0.02 -1.26 -4.46 135.00 128.62 1j2t n PRO 66 Ca 0.05 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 1j2t n PRO 66 Cb 0.54 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1j2t n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1j2t s GLY 67 N 0.26 2.20 -0.21 -1.23 0.00 -1.26 -4.72 107.32 102.36 1j2t s GLY 67 Ca 0.70 0.37 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 1j2t s GLY 67 CO 0.50 0.68 1.08 1.08 0.00 0.00 0.00 173.10 176.43 1j2t s LEU 68 N -4.10 4.12 0.17 0.66 1.43 -0.13 -4.92 118.68 115.92 1j2t s LEU 68 Ca 0.63 1.44 0.19 0.00 -1.03 0.00 0.00 54.13 55.36 1j2t s LEU 68 Cb -0.14 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1j2t s LEU 68 CO 0.31 -0.68 1.04 1.56 0.23 0.00 0.00 176.35 178.81 1j2t h GLN 69 N 7.58 0.00 -5.63 1.70 1.08 -1.89 0.12 115.11 118.07 1j2t h GLN 69 Ca -0.21 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.34 1j2t h GLN 69 Cb 1.07 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.18 1j2t h GLN 69 CO 0.98 0.19 -0.87 0.71 -0.95 0.00 0.00 178.83 178.88 1j2t s TYR 70 N -3.11 2.25 0.10 2.96 1.51 -1.26 -2.87 117.35 116.93 1j2t s TYR 70 Ca -0.00 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.32 1j2t s TYR 70 Cb 0.09 -1.50 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1j2t s TYR 70 CO 0.78 -0.25 0.01 0.41 -1.11 0.00 0.00 175.55 175.39 1j2t n GLY 71 N 3.16 4.05 3.77 0.71 0.00 -1.18 -4.75 105.19 110.95 1j2t n GLY 71 Ca -0.18 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.32 1j2t n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j2t s TYR 72 N -1.45 2.59 -0.01 1.61 5.04 -1.26 -0.64 117.35 123.23 1j2t s TYR 72 Ca 0.01 1.55 -0.38 0.00 -2.44 0.00 0.00 57.07 55.81 1j2t s TYR 72 Cb 0.00 -3.11 -0.17 0.00 0.35 0.00 0.00 41.96 39.03 1j2t s TYR 72 CO 0.01 -1.75 1.39 1.63 -1.34 0.00 0.00 175.55 175.48 1j2t n LYS 73 N -2.97 0.99 -1.77 4.97 5.02 -1.24 -4.76 118.16 118.40 1j2t n LYS 73 Ca 0.10 0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 1j2t n LYS 73 Cb 0.52 -1.99 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 1j2t n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2t s SER 74 N 1.05 6.39 -0.07 4.39 0.15 -1.26 -4.90 113.70 119.46 1j2t s SER 74 Ca 0.88 2.88 -0.02 0.00 0.70 0.00 0.00 55.95 60.40 1j2t s SER 74 Cb -1.03 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 60.63 1j2t s SER 74 CO 0.52 -0.93 0.04 -1.10 1.20 0.00 0.00 173.24 172.97 1j2t s GLN 75 N 0.40 3.05 0.21 5.44 -1.52 -1.26 -1.84 119.66 124.13 1j2t s GLN 75 Ca 0.69 -0.39 -0.15 0.00 -1.95 0.00 0.00 55.36 53.56 1j2t s GLN 75 Cb -0.48 -2.86 0.21 0.00 -0.22 0.00 0.00 33.01 29.66 1j2t s GLN 75 CO 0.39 0.70 1.61 0.37 -0.25 0.00 0.00 175.29 178.12 1j2t h GLN 76 N 4.90 -0.05 0.00 2.91 4.15 -1.91 0.33 115.11 125.45 1j2t h GLN 76 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1j2t h GLN 76 Cb 1.20 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1j2t h GLN 76 CO 0.56 -0.03 0.00 1.63 -1.93 0.00 0.00 178.83 179.06 1j2t n LYS 77 N -5.44 0.04 0.00 1.69 5.02 -1.26 -2.36 118.16 115.85 1j2t n LYS 77 Ca 0.07 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1j2t n LYS 77 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1j2t n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1j2t n SER 78 N -1.47 3.29 -0.06 4.39 3.41 -0.47 -4.73 113.62 117.99 1j2t n SER 78 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1j2t n SER 78 Cb 0.20 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1j2t n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2t n GLY 79 N 1.83 -2.60 1.44 5.00 0.00 0.10 -4.57 105.19 106.40 1j2t n GLY 79 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j2t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2t n GLY 80 N -0.00 2.77 0.00 -0.02 0.00 -0.99 -4.81 105.19 102.14 1j2t n GLY 80 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j2t n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2t n GLY 81 N 0.00 3.50 0.06 -0.02 0.00 -1.23 -4.36 105.19 103.14 1j2t n GLY 81 Ca 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1j2t n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j2t n ASN 82 N 0.00 0.18 0.04 1.61 2.85 -0.77 -3.33 115.26 115.84 1j2t n ASN 82 Ca 0.00 -1.87 0.13 0.00 -0.11 0.00 0.00 54.58 52.72 1j2t n ASN 82 Cb 0.00 -0.02 0.34 0.00 1.24 0.00 0.00 39.78 41.34 1j2t n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j2t n HIS 83 N -0.47 0.40 -2.22 1.20 1.44 -1.26 -4.90 115.22 109.41 1j2t n HIS 83 Ca 0.04 0.12 -0.36 0.00 -2.01 0.00 0.00 57.72 55.50 1j2t n HIS 83 Cb 0.04 -0.60 -0.00 0.00 0.12 0.00 0.00 29.99 29.55 1j2t n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j2t s PHE 84 N -3.08 2.75 0.72 -1.40 0.40 -1.21 -5.01 117.98 111.15 1j2t s PHE 84 Ca 0.10 1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 57.83 1j2t s PHE 84 Cb 0.15 -3.38 0.03 0.00 0.51 0.00 0.00 43.02 40.34 1j2t s PHE 84 CO 0.64 -1.64 1.11 -2.14 0.70 0.00 0.00 175.22 173.89 1j2t s PRO 85 N -2.93 2.46 0.00 0.24 0.02 -1.26 -3.96 135.00 129.56 1j2t s PRO 85 Ca 0.68 1.33 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1j2t s PRO 85 Cb -0.28 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1j2t s PRO 85 CO 0.33 -1.51 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 1j2t n GLY 86 N -0.72 2.14 3.67 0.52 0.00 -1.26 -4.67 105.19 104.86 1j2t n GLY 86 Ca 0.10 -0.34 -0.51 0.00 0.00 0.00 0.00 46.02 45.27 1j2t n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j2t n THR 87 N 0.00 0.25 -3.81 2.61 -1.04 -1.25 -4.65 114.28 106.38 1j2t n THR 87 Ca 0.00 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1j2t n THR 87 Cb 0.00 -1.40 -0.16 0.00 -1.82 0.00 0.00 70.33 66.95 1j2t n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1j2t s THR 88 N 2.41 1.03 0.08 12.58 2.01 -0.42 -4.97 115.64 128.36 1j2t s THR 88 Ca 0.89 -1.11 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1j2t s THR 88 Cb -0.84 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1j2t s THR 88 CO 0.51 -0.34 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.48 1j2t s SER 89 N 1.59 3.86 0.37 3.53 0.01 -1.26 -4.40 113.70 117.41 1j2t s SER 89 Ca 0.02 -0.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 1j2t s SER 89 Cb -0.18 -0.59 -0.05 0.00 0.21 0.00 0.00 66.02 65.41 1j2t s SER 89 CO -0.13 0.22 0.68 -0.76 0.41 0.00 0.00 173.24 173.66 1j2t s LEU 90 N -1.81 3.89 0.62 2.44 1.43 0.18 -4.86 118.68 120.57 1j2t s LEU 90 Ca 0.16 0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 54.02 1j2t s LEU 90 Cb -0.11 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 1j2t s LEU 90 CO 0.08 -0.35 1.08 -1.81 0.23 0.00 0.00 176.35 175.57 1j2t s ASP 91 N -3.38 5.53 0.19 2.29 -0.00 -1.26 -3.68 116.67 116.36 1j2t s ASP 91 Ca 0.47 1.87 -0.12 0.00 -0.00 0.00 0.00 52.55 54.77 1j2t s ASP 91 Cb -0.10 -2.54 0.21 0.00 -0.00 0.00 0.00 42.92 40.49 1j2t s ASP 91 CO 0.33 -1.34 1.71 1.23 -0.00 0.00 0.00 175.17 177.11 1j2t h GLY 92 N 0.25 0.63 1.69 0.21 0.00 -1.98 -2.06 103.07 101.81 1j2t h GLY 92 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1j2t h GLY 92 CO 0.56 -0.08 0.12 0.00 0.00 0.00 0.00 176.54 177.14 1j2t h ALA 93 N 1.41 1.67 -0.19 3.60 0.00 -1.99 -0.42 119.26 123.35 1j2t h ALA 93 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1j2t h ALA 93 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1j2t h ALA 93 CO -0.35 0.27 -0.06 1.15 0.00 0.00 0.00 179.25 180.26 1j2t h THR 94 N 0.40 1.29 -0.16 0.00 2.02 -1.76 -0.56 112.91 114.15 1j2t h THR 94 Ca 0.10 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.19 1j2t h THR 94 Cb 0.08 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1j2t h THR 94 CO -0.01 0.32 -0.01 0.25 0.37 0.00 0.00 175.52 176.43 1j2t h LEU 95 N 0.07 0.29 -0.43 2.58 5.85 -1.10 -1.35 115.31 121.22 1j2t h LEU 95 Ca 0.05 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1j2t h LEU 95 Cb 0.51 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1j2t h LEU 95 CO 0.02 0.55 0.05 0.74 -0.34 0.00 0.00 178.44 179.46 1j2t h THR 96 N 0.01 0.73 -0.49 1.05 2.02 -1.10 -2.26 112.91 112.87 1j2t h THR 96 Ca 0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1j2t h THR 96 Cb 0.41 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1j2t h THR 96 CO 0.01 0.03 0.24 1.23 0.37 0.00 0.00 175.52 177.40 1j2t h GLY 97 N 0.17 0.73 0.80 2.16 0.00 -0.92 -0.63 103.07 105.38 1j2t h GLY 97 Ca 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1j2t h GLY 97 CO -0.31 0.31 -0.03 -0.84 0.00 0.00 0.00 176.54 175.68 1j2t h THR 98 N 0.69 1.27 -0.58 4.70 2.02 -0.71 -0.22 112.91 120.09 1j2t h THR 98 Ca 0.17 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1j2t h THR 98 Cb 0.06 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1j2t h THR 98 CO -0.02 0.29 0.33 0.58 0.37 0.00 0.00 175.52 177.07 1j2t h VAL 99 N 0.10 1.18 -0.25 3.16 2.07 -1.16 -1.77 116.25 119.57 1j2t h VAL 99 Ca 0.05 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1j2t h VAL 99 Cb 0.45 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1j2t h VAL 99 CO 0.02 0.19 0.15 -0.61 0.02 0.00 0.00 177.57 177.34 1j2t h GLN 100 N 0.78 0.34 -0.69 1.57 4.15 -1.01 -1.94 115.11 118.30 1j2t h GLN 100 Ca 0.20 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1j2t h GLN 100 Cb 0.01 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1j2t h GLN 100 CO -0.04 0.26 0.29 -0.44 -1.93 0.00 0.00 178.83 176.98 1j2t h ASP 101 N 0.32 0.95 -0.42 -0.69 3.32 -0.87 -1.91 116.42 117.11 1j2t h ASP 101 Ca 0.09 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1j2t h ASP 101 Cb 0.01 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1j2t h ASP 101 CO -0.02 0.85 0.12 0.40 -1.72 0.00 0.00 179.24 178.87 1j2t h ILE 102 N 0.98 1.22 -0.47 0.35 2.04 -1.10 -1.81 117.51 118.72 1j2t h ILE 102 Ca 0.23 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1j2t h ILE 102 Cb 0.19 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1j2t h ILE 102 CO -0.02 0.27 0.23 0.40 0.00 0.00 0.00 178.15 179.03 1j2t h ILE 103 N 0.55 1.18 -0.50 -0.67 2.04 -1.19 -0.01 117.51 118.91 1j2t h ILE 103 Ca 0.14 -0.52 0.10 0.00 1.00 0.00 0.00 64.86 65.58 1j2t h ILE 103 Cb 0.29 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1j2t h ILE 103 CO -0.00 0.20 -0.07 -0.09 0.00 0.00 0.00 178.15 178.19 1j2t h ARG 104 N 0.62 0.05 -0.31 2.37 2.43 -1.14 -0.02 114.38 118.38 1j2t h ARG 104 Ca 0.16 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1j2t h ARG 104 Cb 0.11 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1j2t h ARG 104 CO -0.02 0.03 -0.02 0.93 -1.51 0.00 0.00 179.97 179.38 1j2t h GLU 105 N 0.05 0.57 -0.82 0.20 4.39 -0.82 -1.38 114.58 116.76 1j2t h GLU 105 Ca 0.25 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1j2t h GLU 105 Cb 0.38 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1j2t h GLU 105 CO -0.47 0.72 0.51 -0.07 -1.16 0.00 0.00 179.01 178.53 1j2t h LEU 106 N 0.36 0.80 -0.88 1.33 3.38 -0.68 -1.72 115.31 117.90 1j2t h LEU 106 Ca 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1j2t h LEU 106 Cb 0.47 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1j2t h LEU 106 CO 0.02 0.53 0.28 0.00 0.09 0.00 0.00 178.44 179.36 1j2t h ALA 107 N 1.38 1.11 -1.00 1.53 0.00 -0.77 -1.61 119.26 119.90 1j2t h ALA 107 Ca 0.35 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1j2t h ALA 107 Cb 0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1j2t h ALA 107 CO -0.16 0.63 0.65 -0.09 0.00 0.00 0.00 179.25 180.29 1j2t h ARG 108 N 1.07 1.21 0.00 0.00 2.43 -0.49 -0.89 114.38 117.71 1j2t h ARG 108 Ca 0.25 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1j2t h ARG 108 Cb 0.22 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1j2t h ARG 108 CO -0.02 0.80 -0.05 0.45 -1.51 0.00 0.00 179.97 179.64 1j2t h HIS 109 N 1.25 0.00 0.00 2.20 3.86 -0.74 -3.46 115.15 118.26 1j2t h HIS 109 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1j2t h HIS 109 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1j2t h HIS 109 CO -0.00 0.05 0.00 0.41 0.86 0.00 0.00 177.93 179.25 1j2t n GLY 110 N -0.66 0.75 3.77 2.45 0.00 -0.34 -4.97 105.19 106.19 1j2t n GLY 110 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1j2t n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2t s ALA 111 N -2.00 2.68 0.00 4.61 0.00 -0.66 -4.96 121.76 121.43 1j2t s ALA 111 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1j2t s ALA 111 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1j2t s ALA 111 CO 0.00 -0.81 0.31 0.54 0.00 0.00 0.00 175.76 175.80 1j2t n ARG 112 N -1.35 0.00 -3.73 0.00 5.12 -1.26 -4.23 116.66 111.21 1j2t n ARG 112 Ca 0.12 -0.31 -0.24 0.00 -1.93 0.00 0.00 57.85 55.49 1j2t n ARG 112 Cb 0.51 -0.49 -0.17 0.00 -1.16 0.00 0.00 32.46 31.15 1j2t n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1j2t s ARG 113 N 0.00 0.42 -0.03 5.56 0.52 -1.26 -0.89 118.95 123.26 1j2t s ARG 113 Ca 0.00 0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.26 1j2t s ARG 113 Cb 0.00 -1.20 0.02 0.00 0.52 0.00 0.00 34.95 34.29 1j2t s ARG 113 CO 0.00 -0.41 -0.05 -1.17 0.02 0.00 0.00 175.30 173.68 1j2t s LEU 114 N 2.01 1.50 -0.22 2.53 2.96 -0.67 -1.40 118.68 125.41 1j2t s LEU 114 Ca 0.04 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1j2t s LEU 114 Cb -0.14 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1j2t s LEU 114 CO -0.06 -0.02 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.26 1j2t s VAL 115 N 0.64 3.82 -0.31 1.68 1.01 0.88 -0.74 120.40 127.38 1j2t s VAL 115 Ca -0.09 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1j2t s VAL 115 Cb -0.12 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1j2t s VAL 115 CO 0.00 0.41 0.31 -0.76 0.00 0.00 0.00 175.10 175.06 1j2t s LEU 116 N 1.27 4.26 -0.38 3.92 1.43 0.36 -0.25 118.68 129.30 1j2t s LEU 116 Ca 0.04 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1j2t s LEU 116 Cb -0.15 -2.28 0.06 0.00 0.03 0.00 0.00 46.19 43.85 1j2t s LEU 116 CO 0.01 -0.22 0.17 -0.32 0.23 0.00 0.00 176.35 176.22 1j2t s MET 117 N 1.93 2.53 0.12 1.70 1.75 -0.28 -1.51 119.30 125.55 1j2t s MET 117 Ca 0.11 -1.37 -0.26 0.00 -1.25 0.00 0.00 55.69 52.92 1j2t s MET 117 Cb -0.16 -3.59 -0.07 0.00 2.84 0.00 0.00 34.83 33.84 1j2t s MET 117 CO 0.11 -0.83 0.79 1.21 -0.65 0.00 0.00 175.02 175.65 1j2t s ASN 118 N 1.73 7.35 0.00 1.11 2.47 0.12 -0.91 114.94 126.81 1j2t s ASN 118 Ca 0.01 1.60 0.02 0.00 0.42 0.00 0.00 52.86 54.91 1j2t s ASN 118 Cb -0.21 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1j2t s ASN 118 CO 0.02 0.12 0.35 0.61 -3.72 0.00 0.00 177.10 174.48 1j2t n GLY 119 N 1.90 -0.41 2.86 1.21 0.00 0.11 -3.13 105.19 107.74 1j2t n GLY 119 Ca -0.04 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1j2t n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j2t s HIS 120 N -0.56 1.63 0.27 1.61 5.65 -1.25 -4.66 115.29 117.99 1j2t s HIS 120 Ca 0.01 -1.10 -0.08 0.00 0.25 0.00 0.00 55.06 54.15 1j2t s HIS 120 Cb 0.01 -1.28 0.46 0.00 -1.18 0.00 0.00 32.58 30.59 1j2t s HIS 120 CO 0.04 -0.62 1.57 -0.92 -0.65 0.00 0.00 174.74 174.16 1j2t h TYR 121 N 8.13 -0.42 0.00 3.88 3.20 -1.93 -1.30 116.97 128.53 1j2t h TYR 121 Ca -0.22 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1j2t h TYR 121 Cb 1.11 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.71 1j2t h TYR 121 CO 0.43 -0.40 0.00 0.93 -1.64 0.00 0.00 178.16 177.48 1j2t h GLU 122 N 0.01 0.00 0.00 1.82 3.07 -1.91 -3.09 114.58 114.48 1j2t h GLU 122 Ca 0.46 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.28 1j2t h GLU 122 Cb 0.75 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1j2t h GLU 122 CO -0.94 0.00 -0.23 -0.91 -1.40 0.00 0.00 179.01 175.53 1j2t h ASN 123 N 0.00 0.00 -0.36 1.42 2.35 -1.55 -3.40 115.58 114.04 1j2t h ASN 123 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1j2t h ASN 123 Cb 0.19 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.47 1j2t h ASN 123 CO 0.00 0.23 -0.34 0.28 -1.65 0.00 0.00 177.43 175.95 1j2t h SER 124 N 0.00 -1.10 0.48 5.81 0.02 -1.73 -1.55 113.55 115.48 1j2t h SER 124 Ca -0.00 0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1j2t h SER 124 Cb 0.68 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1j2t h SER 124 CO 0.03 -0.33 -0.30 0.24 -1.14 0.00 0.00 176.83 175.32 1j2t h MET 125 N -0.28 0.00 0.01 3.45 2.86 -1.88 -0.83 114.93 118.25 1j2t h MET 125 Ca 0.16 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.61 1j2t h MET 125 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1j2t h MET 125 CO -0.51 0.30 -0.89 0.74 1.06 0.00 0.00 176.91 177.61 1j2t h PHE 126 N 0.00 0.08 -0.18 -0.22 -1.00 -1.62 -1.54 116.94 112.46 1j2t h PHE 126 Ca -0.00 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1j2t h PHE 126 Cb 0.63 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 1j2t h PHE 126 CO 0.00 0.91 0.03 0.82 -1.61 0.00 0.00 178.31 178.46 1j2t h ILE 127 N 0.02 1.22 -0.48 -0.55 2.04 -0.88 -1.81 117.51 117.07 1j2t h ILE 127 Ca -0.02 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.19 1j2t h ILE 127 Cb 1.56 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.94 1j2t h ILE 127 CO 0.12 0.22 0.09 0.58 0.00 0.00 0.00 178.15 179.16 1j2t h VAL 128 N 0.08 0.72 -0.61 1.67 2.07 -1.04 -0.63 116.25 118.51 1j2t h VAL 128 Ca 0.05 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1j2t h VAL 128 Cb 0.31 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1j2t h VAL 128 CO 0.00 0.04 0.10 -0.08 0.02 0.00 0.00 177.57 177.65 1j2t h GLU 129 N 0.22 1.01 -0.76 1.57 4.57 -1.22 -1.04 114.58 118.93 1j2t h GLU 129 Ca 0.24 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1j2t h GLU 129 Cb 0.33 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 1j2t h GLU 129 CO -0.33 0.95 0.50 0.78 -1.18 0.00 0.00 179.01 179.73 1j2t h GLY 130 N 0.92 1.07 0.94 1.92 0.00 -0.78 -0.75 103.07 106.38 1j2t h GLY 130 Ca 0.19 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1j2t h GLY 130 CO 0.01 0.40 0.03 -2.22 0.00 0.00 0.00 176.54 174.76 1j2t h ILE 131 N 1.03 1.06 -0.74 2.60 2.04 -0.86 -1.67 117.51 120.97 1j2t h ILE 131 Ca 0.28 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1j2t h ILE 131 Cb -0.11 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1j2t h ILE 131 CO -0.06 0.05 0.49 -0.78 0.00 0.00 0.00 178.15 177.85 1j2t h ASP 132 N 0.00 0.85 -0.39 1.72 1.82 -0.77 -0.28 116.42 119.37 1j2t h ASP 132 Ca 0.02 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1j2t h ASP 132 Cb 0.06 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.84 1j2t h ASP 132 CO -0.00 0.62 -0.09 -0.07 -1.61 0.00 0.00 179.24 178.08 1j2t h LEU 133 N 1.01 0.83 -0.41 2.28 3.38 -1.06 -0.63 115.31 120.70 1j2t h LEU 133 Ca 0.27 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1j2t h LEU 133 Cb -0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1j2t h LEU 133 CO -0.06 0.95 -0.40 0.00 0.09 0.00 0.00 178.44 179.02 1j2t h ALA 134 N 1.13 0.59 -0.30 1.53 0.00 -0.90 -2.72 119.26 118.59 1j2t h ALA 134 Ca 0.13 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1j2t h ALA 134 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1j2t h ALA 134 CO 0.04 0.68 -0.17 -0.07 0.00 0.00 0.00 179.25 179.72 1j2t h LEU 135 N 0.74 0.53 -0.35 0.00 3.38 -0.87 -1.70 115.31 117.04 1j2t h LEU 135 Ca 0.06 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1j2t h LEU 135 Cb 0.99 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1j2t h LEU 135 CO 0.10 0.72 0.21 -0.09 0.09 0.00 0.00 178.44 179.47 1j2t h ARG 136 N 0.49 0.41 -0.71 1.13 2.43 -1.00 -1.08 114.38 116.05 1j2t h ARG 136 Ca 0.08 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1j2t h ARG 136 Cb 0.58 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1j2t h ARG 136 CO 0.04 0.27 0.19 0.93 -1.51 0.00 0.00 179.97 179.89 1j2t h GLU 137 N 0.42 1.13 -0.52 0.20 5.08 -1.16 -2.55 114.58 117.17 1j2t h GLU 137 Ca 0.14 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1j2t h GLU 137 Cb -0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1j2t h GLU 137 CO -0.06 0.98 0.14 -0.07 -1.00 0.00 0.00 179.01 179.00 1j2t h LEU 138 N 1.07 0.73 -1.31 1.33 3.38 -0.97 -2.20 115.31 117.34 1j2t h LEU 138 Ca 0.23 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1j2t h LEU 138 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1j2t h LEU 138 CO -0.00 0.71 -0.18 -0.09 0.09 0.00 0.00 178.44 178.97 1j2t h ARG 139 N 0.76 0.24 -0.34 1.13 9.65 -0.82 -0.55 114.38 124.46 1j2t h ARG 139 Ca 0.17 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 59.06 1j2t h ARG 139 Cb 0.26 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1j2t h ARG 139 CO -0.00 0.43 0.24 1.88 2.80 0.00 0.00 179.97 185.31 1j2t h TYR 140 N 0.22 0.12 -0.57 2.20 0.05 -1.02 -0.53 116.97 117.45 1j2t h TYR 140 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1j2t h TYR 140 Cb 0.46 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1j2t h TYR 140 CO 0.01 0.06 0.00 0.00 -1.05 0.00 0.00 178.16 177.18 1j2t n ALA 141 N -2.57 2.62 -0.98 3.88 0.00 -0.42 -4.92 120.51 118.12 1j2t n ALA 141 Ca 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1j2t n ALA 141 Cb 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1j2t n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j2t n GLY 142 N 1.28 0.64 3.65 0.00 0.00 -0.21 -5.00 105.19 105.54 1j2t n GLY 142 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1j2t n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2t s ILE 143 N -2.65 4.89 -0.00 -0.61 1.01 -0.35 -4.89 121.20 118.60 1j2t s ILE 143 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1j2t s ILE 143 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.41 1j2t s ILE 143 CO 0.00 -0.02 0.75 0.00 0.00 0.00 0.00 174.94 175.67 1j2t n GLN 144 N 5.71 1.39 -0.25 2.79 6.02 -1.26 -3.42 117.38 128.36 1j2t n GLN 144 Ca 0.03 -1.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.11 1j2t n GLN 144 Cb 0.48 -0.75 0.22 0.00 1.02 0.00 0.00 30.24 31.22 1j2t n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1j2t n ASP 145 N -0.25 3.37 -4.64 1.08 3.85 -1.26 -4.87 116.55 113.82 1j2t n ASP 145 Ca 0.00 -1.97 -0.42 0.00 -0.71 0.00 0.00 54.79 51.70 1j2t n ASP 145 Cb 0.39 -0.32 -0.04 0.00 -1.35 0.00 0.00 41.12 39.80 1j2t n ASP 145 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1j2t s PHE 146 N -1.07 3.30 -0.07 2.11 2.19 -1.26 -4.80 117.98 118.38 1j2t s PHE 146 Ca 0.35 1.18 0.04 0.00 0.33 0.00 0.00 56.93 58.84 1j2t s PHE 146 Cb 0.19 -3.13 -0.01 0.00 -1.31 0.00 0.00 43.02 38.76 1j2t s PHE 146 CO 0.25 -0.44 -0.21 0.21 1.83 0.00 0.00 175.22 176.86 1j2t s LYS 147 N 2.95 2.74 -0.09 10.12 2.20 -0.07 -5.02 119.74 132.57 1j2t s LYS 147 Ca 0.37 -0.83 0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1j2t s LYS 147 Cb -0.15 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1j2t s LYS 147 CO 0.08 0.37 -0.23 0.08 -0.36 0.00 0.00 175.35 175.29 1j2t s VAL 148 N -0.11 1.94 -0.21 4.02 1.01 -1.26 -1.66 120.40 124.13 1j2t s VAL 148 Ca -0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1j2t s VAL 148 Cb -0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1j2t s VAL 148 CO 0.04 0.53 0.01 -0.69 0.00 0.00 0.00 175.10 175.00 1j2t s VAL 149 N 0.35 4.03 -0.06 2.92 1.01 0.08 -5.00 120.40 123.73 1j2t s VAL 149 Ca -0.17 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1j2t s VAL 149 Cb -0.17 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1j2t s VAL 149 CO 0.08 0.41 -0.16 -0.69 0.00 0.00 0.00 175.10 174.74 1j2t s VAL 150 N 1.13 2.86 -0.05 2.92 1.01 -1.26 -0.48 120.40 126.52 1j2t s VAL 150 Ca 0.03 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 1j2t s VAL 150 Cb -0.14 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.17 1j2t s VAL 150 CO 0.02 0.57 0.59 -1.48 0.00 0.00 0.00 175.10 174.80 1j2t s LEU 151 N -0.44 -0.27 -0.22 3.92 0.05 -0.57 -4.98 118.68 116.17 1j2t s LEU 151 Ca 0.05 0.58 -0.12 0.00 0.05 0.00 0.00 54.13 54.69 1j2t s LEU 151 Cb -0.12 2.21 -0.05 0.00 -2.05 0.00 0.00 46.19 46.18 1j2t s LEU 151 CO 0.02 -0.56 0.21 -0.44 -0.55 0.00 0.00 176.35 175.03 1j2t s SER 152 N -1.17 6.23 0.50 1.48 0.01 -1.26 -0.71 113.70 118.78 1j2t s SER 152 Ca -0.11 0.25 0.17 0.00 1.31 0.00 0.00 55.95 57.57 1j2t s SER 152 Cb -0.01 -2.13 1.21 0.00 0.21 0.00 0.00 66.02 65.29 1j2t s SER 152 CO 0.08 0.07 2.08 0.10 0.41 0.00 0.00 173.24 175.97 1j2t h TYR 153 N 7.23 0.13 0.00 2.43 -0.00 -1.91 -1.70 116.97 123.14 1j2t h TYR 153 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.34 1j2t h TYR 153 Cb 1.16 -0.04 -0.00 0.00 0.00 0.00 0.00 36.73 37.85 1j2t h TYR 153 CO 0.65 0.07 -0.05 0.11 -0.00 0.00 0.00 178.16 178.94 1j2t h TRP 154 N 0.13 0.00 0.00 0.10 0.09 -1.95 -2.61 115.95 111.71 1j2t h TRP 154 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.10 1j2t h TRP 154 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.55 1j2t h TRP 154 CO -0.00 0.05 0.00 -0.25 0.09 0.00 0.00 178.44 178.33 1j2t n ASP 155 N -3.22 0.54 -0.51 0.11 8.00 -0.64 -1.51 116.55 119.31 1j2t n ASP 155 Ca -0.01 0.68 0.13 0.00 0.71 0.00 0.00 54.79 56.30 1j2t n ASP 155 Cb 0.27 -0.77 0.46 0.00 -0.02 0.00 0.00 41.12 41.06 1j2t n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1j2t n PHE 156 N -2.14 0.09 -2.03 1.24 3.01 -0.98 -4.07 117.46 112.57 1j2t n PHE 156 Ca 0.01 -0.04 -0.25 0.00 1.01 0.00 0.00 57.45 58.17 1j2t n PHE 156 Cb 0.14 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.63 1j2t n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1j2t n VAL 157 N 0.23 2.59 0.17 -4.37 0.31 -0.57 -4.63 118.33 112.05 1j2t n VAL 157 Ca 0.18 -4.22 0.07 0.00 -0.01 0.00 0.00 64.34 60.36 1j2t n VAL 157 Cb 0.34 -1.15 0.13 0.00 -0.91 0.00 0.00 33.84 32.25 1j2t n VAL 157 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1j2t n LYS 158 N -0.70 1.93 -1.95 5.55 3.00 -1.26 -4.72 118.16 120.02 1j2t n LYS 158 Ca 0.45 -1.79 -0.42 0.00 -0.00 0.00 0.00 58.31 56.54 1j2t n LYS 158 Cb 0.92 -1.31 -0.03 0.00 0.00 0.00 0.00 35.03 34.61 1j2t n LYS 158 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1j2t s ASP 159 N -1.09 6.63 0.44 3.14 2.15 -1.26 -4.89 116.67 121.79 1j2t s ASP 159 Ca 0.23 2.32 0.19 0.00 0.43 0.00 0.00 52.55 55.71 1j2t s ASP 159 Cb 0.14 -2.54 1.12 0.00 -0.30 0.00 0.00 42.92 41.35 1j2t s ASP 159 CO 0.19 -0.94 1.89 1.55 -0.17 0.00 0.00 175.17 177.69 1j2t h PRO 160 N 9.59 0.34 -0.41 4.34 0.13 -1.98 0.22 132.00 144.23 1j2t h PRO 160 Ca -0.41 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 1j2t h PRO 160 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1j2t h PRO 160 CO 0.95 0.23 -0.20 0.00 -0.23 0.00 0.00 178.00 178.74 1j2t h ALA 161 N 1.62 0.88 -0.12 -0.56 0.00 -1.99 0.28 119.26 119.37 1j2t h ALA 161 Ca 0.42 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j2t h ALA 161 Cb 1.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1j2t h ALA 161 CO -0.13 0.63 -0.08 0.28 0.00 0.00 0.00 179.25 179.95 1j2t h VAL 162 N 0.70 1.33 -0.76 0.00 2.07 -1.06 -2.49 116.25 116.04 1j2t h VAL 162 Ca 0.10 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.54 1j2t h VAL 162 Cb 0.71 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1j2t h VAL 162 CO 0.05 0.33 0.50 0.40 0.02 0.00 0.00 177.57 178.88 1j2t h ILE 163 N -0.10 0.97 -0.59 4.57 1.08 -0.86 -0.47 117.51 122.11 1j2t h ILE 163 Ca 0.02 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1j2t h ILE 163 Cb 0.57 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 1j2t h ILE 163 CO 0.02 0.13 0.29 -0.61 -0.69 0.00 0.00 178.15 177.29 1j2t h GLN 164 N 0.72 0.84 -0.51 2.37 4.15 -0.75 0.63 115.11 122.56 1j2t h GLN 164 Ca 0.34 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1j2t h GLN 164 Cb 0.39 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1j2t h GLN 164 CO -0.12 0.67 0.28 1.96 -1.93 0.00 0.00 178.83 179.69 1j2t h GLN 165 N 0.80 0.71 0.00 1.69 4.20 -0.69 -3.16 115.11 118.65 1j2t h GLN 165 Ca 0.20 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.62 1j2t h GLN 165 Cb 0.11 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1j2t h GLN 165 CO -0.03 0.55 -0.90 -0.07 -0.67 0.00 0.00 178.83 177.71 1j2t h LEU 166 N 0.67 0.38 -7.15 1.46 3.38 -0.76 -3.40 115.31 109.89 1j2t h LEU 166 Ca 0.18 -0.31 -0.60 0.00 0.09 0.00 0.00 57.88 57.24 1j2t h LEU 166 Cb 0.05 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 40.28 1j2t h LEU 166 CO -0.03 1.11 -0.75 -0.31 0.09 0.00 0.00 178.44 178.55 1j2t s TYR 167 N -3.24 2.00 -0.01 1.13 1.51 0.22 -4.97 117.35 113.98 1j2t s TYR 167 Ca -0.04 -2.09 0.09 0.00 -1.01 0.00 0.00 57.07 54.01 1j2t s TYR 167 Cb 0.10 -1.89 -0.23 0.00 -0.11 0.00 0.00 41.96 39.82 1j2t s TYR 167 CO 0.85 -0.86 0.79 -1.00 -1.11 0.00 0.00 175.55 174.22 1j2t h PRO 168 N 7.60 0.04 -0.19 -1.71 0.14 -1.78 -3.35 132.00 132.74 1j2t h PRO 168 Ca -0.08 -0.07 -0.16 0.00 0.14 0.00 0.00 66.00 65.83 1j2t h PRO 168 Cb 0.99 0.03 -0.01 0.00 0.14 0.00 0.00 31.00 32.15 1j2t h PRO 168 CO 0.48 0.70 -0.53 0.93 0.14 0.00 0.00 178.00 179.72 1j2t h GLU 169 N 0.01 0.56 0.00 0.86 5.08 -1.93 -3.48 114.58 115.68 1j2t h GLU 169 Ca -0.24 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1j2t h GLU 169 Cb 1.97 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1j2t h GLU 169 CO 0.10 0.95 0.00 0.41 -1.00 0.00 0.00 179.01 179.47 1j2t n GLY 170 N 0.22 3.99 3.73 -3.84 0.00 -1.26 -5.13 105.19 102.91 1j2t n GLY 170 Ca -0.03 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1j2t n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j2t s PHE 171 N -1.39 3.45 -2.61 1.61 5.36 -1.26 -4.89 117.98 118.25 1j2t s PHE 171 Ca 0.00 0.51 0.25 0.00 -0.96 0.00 0.00 56.93 56.73 1j2t s PHE 171 Cb 0.00 -2.27 0.50 0.00 -0.34 0.00 0.00 43.02 40.92 1j2t s PHE 171 CO 0.00 0.28 1.43 1.28 -1.46 0.00 0.00 175.22 176.75 1j2t n LEU 172 N 3.48 2.21 0.00 6.12 7.99 -1.26 -5.07 117.00 130.47 1j2t n LEU 172 Ca -0.14 -0.74 0.00 0.00 -0.01 0.00 0.00 56.01 55.13 1j2t n LEU 172 Cb 0.52 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1j2t n LEU 172 CO 0.39 0.37 0.00 0.61 -1.51 0.00 0.00 177.39 177.25 1j2t n GLY 173 N 1.30 2.09 0.08 -0.72 0.00 -1.26 -4.86 105.19 101.81 1j2t n GLY 173 Ca 0.15 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1j2t n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1j2t h TRP 174 N 0.00 0.00 0.00 1.61 4.06 -2.00 -3.35 115.95 116.27 1j2t h TRP 174 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1j2t h TRP 174 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1j2t h TRP 174 CO 0.00 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 174.48 1j2t n ASP 175 N -2.28 0.00 0.00 -3.49 5.68 -1.26 -2.21 116.55 112.99 1j2t n ASP 175 Ca 0.02 -0.41 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 1j2t n ASP 175 Cb 0.47 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1j2t n ASP 175 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j2t n ILE 176 N -1.01 0.31 -1.28 2.12 3.06 -1.26 -4.66 119.36 116.63 1j2t n ILE 176 Ca 0.10 -0.43 -0.21 0.00 -2.50 0.00 0.00 62.75 59.71 1j2t n ILE 176 Cb 0.05 1.05 -0.11 0.00 0.54 0.00 0.00 39.64 41.17 1j2t n ILE 176 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1j2t n GLU 177 N -0.15 2.36 -3.67 9.51 -0.58 -0.94 -3.02 120.64 124.14 1j2t n GLU 177 Ca 0.00 -1.78 -0.39 0.00 -0.42 0.00 0.00 57.16 54.57 1j2t n GLU 177 Cb 0.25 -2.12 -0.12 0.00 -0.57 0.00 0.00 31.44 28.88 1j2t n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1j2t s HIS 178 N -0.33 3.22 -0.93 -0.32 5.65 -1.26 -4.46 115.29 116.85 1j2t s HIS 178 Ca 0.63 -1.04 0.00 0.00 0.25 0.00 0.00 55.06 54.90 1j2t s HIS 178 Cb 0.34 -2.36 0.00 0.00 -1.18 0.00 0.00 32.58 29.38 1j2t s HIS 178 CO -0.11 -0.63 0.00 0.41 -0.65 0.00 0.00 174.74 173.75 1j2t n GLY 179 N 4.93 1.04 0.00 1.59 0.00 -1.26 -2.00 105.19 109.48 1j2t n GLY 179 Ca -0.13 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1j2t n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2t n GLY 180 N -1.61 1.54 0.37 -0.02 0.00 -1.26 -4.38 105.19 99.84 1j2t n GLY 180 Ca -0.09 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 1j2t n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j2t h VAL 181 N 0.00 1.20 0.70 1.61 2.07 -1.86 -1.89 116.25 118.09 1j2t h VAL 181 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1j2t h VAL 181 Cb 0.00 -0.20 0.01 0.00 -1.52 0.00 0.00 31.29 29.58 1j2t h VAL 181 CO 0.00 0.23 -0.34 0.15 0.02 0.00 0.00 177.57 177.64 1j2t h PHE 182 N 1.29 -0.87 -0.49 1.57 3.04 -1.94 -0.33 116.94 119.20 1j2t h PHE 182 Ca 0.39 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.29 1j2t h PHE 182 Cb -0.05 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 1j2t h PHE 182 CO -0.00 -0.54 0.22 0.93 -2.02 0.00 0.00 178.31 176.89 1j2t h GLU 183 N -1.02 0.71 -0.45 1.11 5.08 -1.85 -2.42 114.58 115.73 1j2t h GLU 183 Ca -0.10 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1j2t h GLU 183 Cb 0.72 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1j2t h GLU 183 CO 0.16 0.62 0.24 1.15 -1.00 0.00 0.00 179.01 180.17 1j2t h THR 184 N 0.64 1.17 -0.55 1.13 2.02 -1.39 -0.45 112.91 115.48 1j2t h THR 184 Ca 0.16 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.91 1j2t h THR 184 Cb 0.15 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1j2t h THR 184 CO -0.02 0.18 0.35 0.28 0.37 0.00 0.00 175.52 176.68 1j2t h SER 185 N 0.59 0.59 -0.85 4.18 0.02 -0.97 0.78 113.55 117.89 1j2t h SER 185 Ca 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1j2t h SER 185 Cb 0.07 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1j2t h SER 185 CO -0.02 0.42 0.51 -0.07 -1.14 0.00 0.00 176.83 176.52 1j2t h LEU 186 N 0.71 1.02 -0.77 5.07 3.38 -1.04 -2.04 115.31 121.64 1j2t h LEU 186 Ca 0.21 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1j2t h LEU 186 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1j2t h LEU 186 CO -0.07 0.79 -0.15 0.24 0.09 0.00 0.00 178.44 179.34 1j2t h MET 187 N 1.16 0.77 -0.35 1.13 2.86 -0.43 -1.18 114.93 118.89 1j2t h MET 187 Ca 0.30 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1j2t h MET 187 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1j2t h MET 187 CO -0.06 0.88 0.12 -0.07 1.06 0.00 0.00 176.91 178.85 1j2t h LEU 188 N 0.69 0.45 0.06 1.22 3.38 -0.35 0.38 115.31 121.14 1j2t h LEU 188 Ca 0.11 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.76 1j2t h LEU 188 Cb 0.63 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1j2t h LEU 188 CO 0.04 0.43 -1.19 0.00 0.09 0.00 0.00 178.44 177.82 1j2t h ALA 189 N 1.64 0.12 0.02 1.53 0.00 -0.95 -3.34 119.26 118.28 1j2t h ALA 189 Ca 0.12 -0.81 -0.39 0.00 0.00 0.00 0.00 54.91 53.83 1j2t h ALA 189 Cb 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1j2t h ALA 189 CO -0.01 0.83 -2.36 1.28 0.00 0.00 0.00 179.25 178.99 1j2t n LEU 190 N -3.67 2.74 -3.19 0.00 4.77 -0.49 -4.79 117.00 112.37 1j2t n LEU 190 Ca -0.10 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.67 1j2t n LEU 190 Cb 0.97 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1j2t n LEU 190 CO 0.55 0.85 -0.23 -1.22 -1.33 0.00 0.00 177.39 176.01 1j2t n TYR 191 N -3.48 0.29 0.21 -1.77 4.01 0.13 -4.96 117.16 111.59 1j2t n TYR 191 Ca -0.44 -3.72 0.14 0.00 -0.16 0.00 0.00 57.90 53.72 1j2t n TYR 191 Cb 0.98 -0.40 0.77 0.00 -0.31 0.00 0.00 39.34 40.38 1j2t n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j2t h PRO 192 N 3.56 0.00 0.00 -0.72 0.13 -1.64 0.70 132.00 134.03 1j2t h PRO 192 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1j2t h PRO 192 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1j2t h PRO 192 CO 0.51 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.84 1j2t h ASP 193 N 0.00 0.00 -0.56 1.44 3.45 -1.92 -2.71 116.42 116.11 1j2t h ASP 193 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1j2t h ASP 193 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1j2t h ASP 193 CO -0.00 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.85 1j2t n LEU 194 N -2.51 3.68 -4.05 1.55 4.77 0.24 -4.90 117.00 115.77 1j2t n LEU 194 Ca 0.01 -1.79 -0.20 0.00 -0.03 0.00 0.00 56.01 53.99 1j2t n LEU 194 Cb 0.20 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1j2t n LEU 194 CO 0.20 0.87 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.98 1j2t s VAL 195 N -1.19 0.89 -0.40 4.08 1.01 -1.02 -2.85 120.40 120.92 1j2t s VAL 195 Ca 0.43 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1j2t s VAL 195 Cb 0.23 -0.75 0.12 0.00 0.00 0.00 0.00 36.38 35.98 1j2t s VAL 195 CO 0.31 0.26 0.19 -0.62 0.00 0.00 0.00 175.10 175.24 1j2t s ASP 196 N -0.18 3.85 0.56 3.32 2.15 0.10 -4.95 116.67 121.51 1j2t s ASP 196 Ca 0.03 -2.35 0.27 0.00 0.43 0.00 0.00 52.55 50.92 1j2t s ASP 196 Cb -0.05 -1.05 1.49 0.00 -0.30 0.00 0.00 42.92 43.01 1j2t s ASP 196 CO -0.00 -0.31 2.01 0.25 -0.17 0.00 0.00 175.17 176.95 1j2t h LEU 197 N 7.13 0.00 -0.87 -1.34 5.85 -1.97 -0.12 115.31 124.00 1j2t h LEU 197 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1j2t h LEU 197 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1j2t h LEU 197 CO 0.49 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 179.06 1j2t n ASP 198 N -4.06 0.63 -0.60 1.25 8.00 -1.26 -1.87 116.55 118.64 1j2t n ASP 198 Ca 0.06 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.37 1j2t n ASP 198 Cb 0.51 -0.81 0.22 0.00 -0.02 0.00 0.00 41.12 41.02 1j2t n ASP 198 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1j2t n ARG 199 N -2.23 1.62 -1.69 -1.24 1.74 -0.06 -4.94 116.66 109.86 1j2t n ARG 199 Ca 0.01 -1.21 -0.44 0.00 -0.77 0.00 0.00 57.85 55.44 1j2t n ARG 199 Cb 0.18 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 1j2t n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1j2t n VAL 200 N 0.37 0.11 -3.20 1.55 0.31 -0.78 -4.36 118.33 112.33 1j2t n VAL 200 Ca 0.14 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 64.01 1j2t n VAL 200 Cb 0.47 -1.82 -0.07 0.00 -0.91 0.00 0.00 33.84 31.50 1j2t n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1j2t s VAL 201 N 1.58 4.94 -1.35 2.52 1.01 -1.26 -4.99 120.40 122.85 1j2t s VAL 201 Ca 0.79 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 1j2t s VAL 201 Cb -0.58 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 31.64 1j2t s VAL 201 CO 0.37 -0.65 1.94 -0.67 0.00 0.00 0.00 175.10 176.08 1j2t n ASP 202 N 6.00 4.43 -4.98 3.32 2.03 -1.26 -4.80 116.55 121.30 1j2t n ASP 202 Ca -0.06 -2.88 -0.21 0.00 0.52 0.00 0.00 54.79 52.17 1j2t n ASP 202 Cb 0.46 -1.70 -0.01 0.00 -0.72 0.00 0.00 41.12 39.15 1j2t n ASP 202 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1j2t s HIS 203 N 4.02 3.27 0.56 -0.67 -3.43 -1.26 -5.05 115.29 112.74 1j2t s HIS 203 Ca 0.52 -0.05 -0.19 0.00 -0.80 0.00 0.00 55.06 54.54 1j2t s HIS 203 Cb 0.08 -1.88 -0.05 0.00 -1.43 0.00 0.00 32.58 29.30 1j2t s HIS 203 CO 0.02 0.11 1.12 -1.25 -2.00 0.00 0.00 174.74 172.74 1j2t s PRO 204 N -4.17 3.28 0.32 -0.38 0.04 -1.26 -4.17 135.00 128.66 1j2t s PRO 204 Ca 0.41 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 1j2t s PRO 204 Cb -0.09 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 1j2t s PRO 204 CO 0.32 -0.89 1.23 -2.30 0.04 0.00 0.00 177.00 175.40 1j2t n PRO 205 N -1.51 1.92 -2.12 0.56 -0.02 -1.26 -4.87 135.00 127.70 1j2t n PRO 205 Ca 0.11 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.88 1j2t n PRO 205 Cb 0.51 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1j2t n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2t s ALA 206 N -0.97 3.16 0.08 3.55 0.00 -0.31 -5.03 121.76 122.25 1j2t s ALA 206 Ca 0.58 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.72 1j2t s ALA 206 Cb -0.61 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 1j2t s ALA 206 CO 0.60 -0.77 -0.13 0.95 0.00 0.00 0.00 175.76 176.41 1j2t s THR 207 N -1.34 1.06 0.05 0.00 -4.23 -1.26 -5.00 115.64 104.93 1j2t s THR 207 Ca 0.59 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1j2t s THR 207 Cb -0.35 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 1j2t s THR 207 CO 0.44 -0.33 0.01 -0.36 -0.54 0.00 0.00 174.62 173.85 1j2t s PHE 208 N -1.63 0.39 0.90 3.99 0.40 -1.26 -5.06 117.98 115.71 1j2t s PHE 208 Ca 0.00 -0.84 -0.12 0.00 -0.60 0.00 0.00 56.93 55.37 1j2t s PHE 208 Cb -0.08 -0.29 0.13 0.00 0.51 0.00 0.00 43.02 43.30 1j2t s PHE 208 CO 0.02 -0.36 1.11 -1.25 0.70 0.00 0.00 175.22 175.44 1j2t s PRO 209 N -3.31 1.24 0.00 0.24 0.04 -1.26 -4.91 135.00 127.05 1j2t s PRO 209 Ca 0.01 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1j2t s PRO 209 Cb 0.03 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1j2t s PRO 209 CO -0.08 -2.17 1.81 -0.35 0.04 0.00 0.00 177.00 176.25 1j2t n PRO 210 N -3.79 0.96 -3.84 0.56 -0.04 -1.26 -4.77 135.00 122.82 1j2t n PRO 210 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1j2t n PRO 210 Cb 0.57 -1.02 -0.04 0.00 -0.04 0.00 0.00 33.50 32.98 1j2t n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j2t s TYR 211 N 0.08 0.00 0.16 0.54 -0.85 -1.26 -5.18 117.35 110.85 1j2t s TYR 211 Ca 0.00 -0.38 0.10 0.00 -0.52 0.00 0.00 57.07 56.27 1j2t s TYR 211 Cb 0.00 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1j2t s TYR 211 CO 0.00 -1.02 -0.22 -0.51 -1.52 0.00 0.00 175.55 172.28 1j2t s ASP 212 N -2.93 3.06 -0.05 -0.18 1.11 -1.26 -5.09 116.67 111.33 1j2t s ASP 212 Ca 0.13 -0.81 0.05 0.00 0.18 0.00 0.00 52.55 52.10 1j2t s ASP 212 Cb -0.02 -0.20 -0.01 0.00 1.07 0.00 0.00 42.92 43.76 1j2t s ASP 212 CO 0.03 0.08 -0.20 -0.69 1.18 0.00 0.00 175.17 175.57 1j2t s VAL 213 N -1.58 1.65 -0.00 -1.27 1.01 -1.26 -5.13 120.40 113.81 1j2t s VAL 213 Ca 0.16 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1j2t s VAL 213 Cb -0.08 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1j2t s VAL 213 CO 0.07 0.47 -0.12 -0.36 0.00 0.00 0.00 175.10 175.16 1j2t s PHE 214 N -0.03 1.09 0.65 5.22 0.08 -1.26 -3.62 117.98 120.10 1j2t s PHE 214 Ca -0.04 -0.22 -0.18 0.00 0.12 0.00 0.00 56.93 56.62 1j2t s PHE 214 Cb -0.12 -0.70 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1j2t s PHE 214 CO 0.03 -0.01 1.26 -1.25 -0.10 0.00 0.00 175.22 175.14 1j2t s PRO 215 N -0.38 2.56 0.25 0.24 0.04 -1.26 -5.07 135.00 131.38 1j2t s PRO 215 Ca 0.04 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.73 1j2t s PRO 215 Cb -0.05 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1j2t s PRO 215 CO -0.00 -1.56 1.58 0.54 0.04 0.00 0.00 177.00 177.60 1j2t s VAL 216 N -1.55 2.25 -0.47 -0.36 0.11 -1.24 -4.95 120.40 114.19 1j2t s VAL 216 Ca 0.80 0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 59.87 1j2t s VAL 216 Cb -0.34 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.42 1j2t s VAL 216 CO 0.39 0.03 0.53 -0.62 -3.33 0.00 0.00 175.10 172.10 1j2t s ASP 217 N 0.68 6.21 0.59 3.54 3.68 -1.26 -4.97 116.67 125.15 1j2t s ASP 217 Ca 0.65 -0.83 0.29 0.00 2.13 0.00 0.00 52.55 54.80 1j2t s ASP 217 Cb -0.46 -2.26 1.67 0.00 -1.45 0.00 0.00 42.92 40.42 1j2t s ASP 217 CO 0.42 -0.74 2.09 1.55 0.13 0.00 0.00 175.17 178.61 1j2t h PRO 218 N 8.86 0.00 0.00 4.34 0.13 -1.95 -1.44 132.00 141.94 1j2t h PRO 218 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1j2t h PRO 218 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1j2t h PRO 218 CO 0.89 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.63 1j2t h ALA 219 N 1.74 1.79 -0.00 -0.56 0.00 -2.00 -2.40 119.26 117.82 1j2t h ALA 219 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j2t h ALA 219 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1j2t h ALA 219 CO -0.00 0.04 -0.02 0.54 0.00 0.00 0.00 179.25 179.80 1j2t n ARG 220 N -4.27 0.68 -4.36 0.00 1.74 -0.54 -4.71 116.66 105.20 1j2t n ARG 220 Ca -0.03 -0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.63 1j2t n ARG 220 Cb 0.12 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 1j2t n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1j2t s THR 221 N -2.38 4.28 0.29 0.55 2.01 -0.91 -4.92 115.64 114.58 1j2t s THR 221 Ca 0.34 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 1j2t s THR 221 Cb 0.21 -2.82 -0.13 0.00 0.01 0.00 0.00 72.50 69.77 1j2t s THR 221 CO 0.44 0.56 1.29 -2.65 -0.69 0.00 0.00 174.62 173.56 1j2t n PRO 222 N 1.99 1.95 -0.30 4.92 -0.02 -1.26 -4.87 135.00 137.41 1j2t n PRO 222 Ca -0.18 0.69 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 1j2t n PRO 222 Cb 0.53 -2.26 0.31 0.00 -0.02 0.00 0.00 33.50 32.06 1j2t n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2t h ALA 223 N 3.10 1.38 0.00 3.55 0.00 -1.90 0.25 119.26 125.64 1j2t h ALA 223 Ca -0.45 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1j2t h ALA 223 Cb 1.29 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1j2t h ALA 223 CO 0.67 -0.42 0.00 -1.35 0.00 0.00 0.00 179.25 178.15 1j2t h PRO 224 N 0.30 0.00 0.00 0.00 0.11 -1.96 -3.47 132.00 126.98 1j2t h PRO 224 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1j2t h PRO 224 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j2t h PRO 224 CO -0.59 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.61 1j2t n GLY 225 N -0.08 2.04 3.83 -0.55 0.00 0.08 -3.78 105.19 106.72 1j2t n GLY 225 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1j2t n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2t s THR 226 N -2.54 4.44 -0.67 2.61 -4.23 -1.26 -4.42 115.64 109.56 1j2t s THR 226 Ca 0.00 1.40 0.22 0.00 -1.18 0.00 0.00 61.69 62.13 1j2t s THR 226 Cb 0.00 -3.64 -0.20 0.00 1.34 0.00 0.00 72.50 70.01 1j2t s THR 226 CO 0.00 -0.43 0.89 0.18 -0.54 0.00 0.00 174.62 174.72 1j2t n LEU 227 N -0.93 0.64 -3.70 4.79 4.77 -0.85 -4.39 117.00 117.33 1j2t n LEU 227 Ca 0.07 -0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1j2t n LEU 227 Cb 0.54 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1j2t n LEU 227 CO 0.40 0.12 0.10 -0.94 -1.33 0.00 0.00 177.39 175.74 1j2t s SER 228 N -3.62 -0.17 0.12 -1.43 1.04 -1.17 -1.16 113.70 107.31 1j2t s SER 228 Ca 0.04 -0.29 -0.30 0.00 0.48 0.00 0.00 55.95 55.87 1j2t s SER 228 Cb 0.15 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 1j2t s SER 228 CO 0.84 -0.76 0.96 -0.55 0.98 0.00 0.00 173.24 174.72 1j2t s SER 229 N -2.54 7.50 -0.11 7.02 0.15 -1.26 -4.13 113.70 120.33 1j2t s SER 229 Ca 0.00 1.81 0.17 0.00 0.70 0.00 0.00 55.95 58.63 1j2t s SER 229 Cb 0.01 -2.59 0.67 0.00 -1.71 0.00 0.00 66.02 62.40 1j2t s SER 229 CO -0.09 -0.06 1.56 0.00 1.20 0.00 0.00 173.24 175.86 1j2t n ALA 230 N 2.73 3.08 -0.34 5.45 0.00 -1.26 -4.03 120.51 126.13 1j2t n ALA 230 Ca 0.02 -1.45 0.18 0.00 0.00 0.00 0.00 53.44 52.19 1j2t n ALA 230 Cb 0.49 -1.03 0.40 0.00 0.00 0.00 0.00 19.45 19.31 1j2t n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j2t h LYS 231 N 3.77 0.54 -0.36 0.00 3.64 -1.93 0.57 116.57 122.80 1j2t h LYS 231 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j2t h LYS 231 Cb 1.37 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1j2t h LYS 231 CO 0.22 0.36 0.00 0.25 -2.27 0.00 0.00 179.45 178.01 1j2t n THR 232 N -4.89 0.48 -1.98 1.00 -2.24 -1.26 -4.94 114.28 100.45 1j2t n THR 232 Ca 0.27 -0.51 -0.37 0.00 -2.27 0.00 0.00 64.05 61.18 1j2t n THR 232 Cb 0.77 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 69.33 1j2t n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j2t s ALA 233 N -1.52 2.67 0.05 6.98 0.00 0.19 -5.03 121.76 125.11 1j2t s ALA 233 Ca 0.28 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 1j2t s ALA 233 Cb 0.14 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1j2t s ALA 233 CO 0.20 -1.15 0.44 -1.54 0.00 0.00 0.00 175.76 173.70 1j2t s SER 234 N -1.39 -0.32 0.24 0.00 1.04 -1.26 -4.93 113.70 107.09 1j2t s SER 234 Ca 0.74 0.02 -0.05 0.00 0.48 0.00 0.00 55.95 57.14 1j2t s SER 234 Cb -0.33 0.44 0.38 0.00 0.10 0.00 0.00 66.02 66.62 1j2t s SER 234 CO 0.37 -0.69 1.80 -0.09 0.98 0.00 0.00 173.24 175.61 1j2t h ARG 235 N 2.92 0.69 -0.54 4.02 2.43 -1.86 -0.90 114.38 121.15 1j2t h ARG 235 Ca -0.31 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1j2t h ARG 235 Cb 1.21 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 1j2t h ARG 235 CO 0.43 0.46 0.30 1.49 -1.51 0.00 0.00 179.97 181.14 1j2t h GLU 236 N 0.71 0.74 -0.69 0.20 4.81 -1.96 0.86 114.58 119.26 1j2t h GLU 236 Ca 0.38 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1j2t h GLU 236 Cb 0.38 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1j2t h GLU 236 CO -0.26 0.57 0.36 0.87 -0.73 0.00 0.00 179.01 179.81 1j2t h LYS 237 N 0.72 0.98 -0.91 1.92 1.57 -1.78 -2.20 116.57 116.87 1j2t h LYS 237 Ca 0.19 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1j2t h LYS 237 Cb 0.03 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 1j2t h LYS 237 CO -0.03 0.75 0.56 0.78 -0.57 0.00 0.00 179.45 180.94 1j2t h GLY 238 N 0.95 1.31 1.50 3.86 0.00 -0.36 -0.55 103.07 109.78 1j2t h GLY 238 Ca 0.24 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1j2t h GLY 238 CO -0.03 0.52 -0.13 0.83 0.00 0.00 0.00 176.54 177.73 1j2t h GLU 239 N 1.24 0.60 -0.02 4.80 4.39 -0.51 -0.14 114.58 124.95 1j2t h GLU 239 Ca 0.33 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1j2t h GLU 239 Cb -0.07 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1j2t h GLU 239 CO -0.06 0.71 -0.01 1.25 -1.16 0.00 0.00 179.01 179.74 1j2t h LEU 240 N 0.55 0.03 -0.39 1.33 5.85 -0.93 -2.34 115.31 119.41 1j2t h LEU 240 Ca 0.10 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.45 1j2t h LEU 240 Cb 0.54 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1j2t h LEU 240 CO 0.03 0.47 -0.02 0.40 -0.34 0.00 0.00 178.44 178.98 1j2t h ILE 241 N -0.40 0.68 -0.12 4.05 2.04 -0.96 -1.37 117.51 121.43 1j2t h ILE 241 Ca 0.00 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1j2t h ILE 241 Cb 0.46 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1j2t h ILE 241 CO 0.00 0.01 0.00 0.25 0.00 0.00 0.00 178.15 178.42 1j2t h LEU 242 N 0.08 -0.04 -0.76 1.44 5.85 -1.00 -0.21 115.31 120.66 1j2t h LEU 242 Ca 0.19 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1j2t h LEU 242 Cb 0.28 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1j2t h LEU 242 CO -0.35 -0.00 0.19 -0.08 -0.34 0.00 0.00 178.44 177.86 1j2t h GLU 243 N 0.04 1.12 -0.37 1.25 4.57 -1.10 -0.91 114.58 119.18 1j2t h GLU 243 Ca 0.06 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 1j2t h GLU 243 Cb 0.07 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1j2t h GLU 243 CO -0.09 0.98 0.06 0.28 -1.18 0.00 0.00 179.01 179.06 1j2t h VAL 244 N 1.07 1.24 0.16 0.32 2.07 -0.96 -1.59 116.25 118.55 1j2t h VAL 244 Ca 0.23 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1j2t h VAL 244 Cb 0.35 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1j2t h VAL 244 CO -0.00 0.29 -0.07 0.00 0.02 0.00 0.00 177.57 177.80 1j2t h VAL 246 N -0.37 0.98 -0.10 0.00 2.07 -1.19 0.28 116.25 117.94 1j2t h VAL 246 Ca -0.02 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1j2t h VAL 246 Cb 0.29 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1j2t h VAL 246 CO 0.04 0.05 0.06 -0.61 0.02 0.00 0.00 177.57 177.12 1j2t h GLN 247 N 0.26 0.13 -0.51 1.57 5.75 -1.27 0.33 115.11 121.37 1j2t h GLN 247 Ca 0.11 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1j2t h GLN 247 Cb 0.04 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1j2t h GLN 247 CO -0.08 0.12 0.15 0.78 -2.65 0.00 0.00 178.83 177.15 1j2t h GLY 248 N 0.10 0.86 0.97 2.39 0.00 -1.06 -1.35 103.07 104.99 1j2t h GLY 248 Ca 0.04 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 1j2t h GLY 248 CO -0.01 0.48 -0.31 -2.22 0.00 0.00 0.00 176.54 174.49 1j2t h ILE 249 N 0.70 1.30 -0.72 2.60 2.04 -0.86 -1.10 117.51 121.48 1j2t h ILE 249 Ca 0.16 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.59 1j2t h ILE 249 Cb 0.29 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1j2t h ILE 249 CO -0.00 0.47 0.43 0.00 0.00 0.00 0.00 178.15 179.05 1j2t h ALA 250 N 0.69 0.97 -0.35 1.87 0.00 -0.81 -0.06 119.26 121.57 1j2t h ALA 250 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1j2t h ALA 250 Cb 0.89 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1j2t h ALA 250 CO 0.08 0.15 0.13 -0.44 0.00 0.00 0.00 179.25 179.16 1j2t h ASP 251 N 0.80 0.50 -0.65 0.00 3.32 -1.09 -1.31 116.42 117.99 1j2t h ASP 251 Ca 0.31 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1j2t h ASP 251 Cb 0.13 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1j2t h ASP 251 CO -0.16 0.55 0.32 0.00 -1.72 0.00 0.00 179.24 178.23 1j2t h ALA 252 N 0.97 0.83 -0.56 3.45 0.00 -0.63 -1.35 119.26 121.96 1j2t h ALA 252 Ca 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1j2t h ALA 252 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1j2t h ALA 252 CO -0.01 0.39 -0.06 0.82 0.00 0.00 0.00 179.25 180.40 1j2t h ILE 253 N 0.89 1.27 -0.36 0.00 1.08 -0.92 -1.43 117.51 118.03 1j2t h ILE 253 Ca 0.22 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.46 1j2t h ILE 253 Cb 0.10 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1j2t h ILE 253 CO -0.03 0.43 0.13 0.03 -0.69 0.00 0.00 178.15 178.02 1j2t h ARG 254 N 0.92 0.51 -0.13 2.37 3.08 -0.84 0.27 114.38 120.57 1j2t h ARG 254 Ca 0.15 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1j2t h ARG 254 Cb 0.62 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1j2t h ARG 254 CO 0.04 0.44 -0.11 1.49 -1.07 0.00 0.00 179.97 180.76 1j2t h GLU 255 N 0.51 0.29 0.01 0.04 4.57 -0.79 -3.04 114.58 116.18 1j2t h GLU 255 Ca 0.13 -0.15 -0.20 0.00 -1.18 0.00 0.00 59.36 57.96 1j2t h GLU 255 Cb 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1j2t h GLU 255 CO -0.01 0.68 -0.91 0.93 -1.18 0.00 0.00 179.01 178.51 1j2t h GLU 256 N -0.09 0.13 -2.34 1.92 4.39 -1.00 -3.38 114.58 114.21 1j2t h GLU 256 Ca 0.02 -0.15 -0.60 0.00 0.34 0.00 0.00 59.36 58.97 1j2t h GLU 256 Cb 0.61 0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 28.90 1j2t h GLU 256 CO 0.03 0.95 -0.71 1.19 -1.16 0.00 0.00 179.01 179.31 1j2t n PHE 257 N -3.58 2.54 -1.75 4.33 3.72 0.93 -5.09 117.46 118.55 1j2t n PHE 257 Ca -0.03 -4.02 -0.32 0.00 -0.05 0.00 0.00 57.45 53.03 1j2t n PHE 257 Cb 0.84 -0.48 0.04 0.00 -0.94 0.00 0.00 39.48 38.94 1j2t n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j2t s PRO 258 N -1.88 2.89 0.00 -1.08 0.04 -1.15 -4.61 135.00 129.21 1j2t s PRO 258 Ca 0.36 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1j2t s PRO 258 Cb 0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1j2t s PRO 258 CO -0.07 -1.16 0.31 -2.30 0.04 0.00 0.00 177.00 173.82