#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1k h ARG 18 N 0.00 0.38 -4.59 0.00 2.47 -1.97 -3.39 114.38 107.28 2j1k h ARG 18 Ca 0.00 -0.55 -0.24 0.00 -1.26 0.00 0.00 59.98 57.92 2j1k h ARG 18 Cb 0.00 0.19 -0.15 0.00 -1.65 0.00 0.00 29.97 28.36 2j1k h ARG 18 CO 0.00 1.23 -0.61 -1.54 0.56 0.00 0.00 179.97 179.61 2j1k s SER 19 N -7.00 0.18 -0.33 7.04 1.04 -1.26 -4.79 113.70 108.58 2j1k s SER 19 Ca -0.13 -1.40 -0.29 0.00 0.48 0.00 0.00 55.95 54.62 2j1k s SER 19 Cb 0.02 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2j1k s SER 19 CO 0.85 -0.85 1.31 -0.22 0.98 0.00 0.00 173.24 175.31 2j1k s LEU 20 N -3.16 3.81 0.11 2.42 0.20 -1.26 -4.19 118.68 116.60 2j1k s LEU 20 Ca 0.39 1.09 -0.03 0.00 0.69 0.00 0.00 54.13 56.27 2j1k s LEU 20 Cb 0.07 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.26 2j1k s LEU 20 CO 0.12 -1.16 0.07 -0.94 -0.29 0.00 0.00 176.35 174.16 2j1k s SER 21 N 2.99 0.31 -0.04 3.68 1.04 -1.14 -4.52 113.70 116.03 2j1k s SER 21 Ca 0.57 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.96 2j1k s SER 21 Cb -0.15 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2j1k s SER 21 CO 0.25 -0.71 -0.04 -0.63 0.98 0.00 0.00 173.24 173.10 2j1k s ILE 22 N -3.98 3.93 0.12 -1.02 1.01 -1.26 -1.05 121.20 118.94 2j1k s ILE 22 Ca 0.16 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 2j1k s ILE 22 Cb 0.07 -2.67 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 2j1k s ILE 22 CO -0.03 0.51 0.96 -0.89 0.00 0.00 0.00 174.94 175.48 2j1k s THR 23 N -0.92 4.47 -0.53 2.92 2.01 -0.43 -4.13 115.64 119.03 2j1k s THR 23 Ca 0.15 2.07 -0.27 0.00 0.31 0.00 0.00 61.69 63.94 2j1k s THR 23 Cb -0.11 -4.32 0.04 0.00 0.01 0.00 0.00 72.50 68.12 2j1k s THR 23 CO 0.05 0.33 0.65 0.35 -0.69 0.00 0.00 174.62 175.31 2j1k n THR 24 N 2.69 -4.94 0.57 -0.82 -2.24 -1.26 -4.69 114.28 103.59 2j1k n THR 24 Ca 0.02 0.15 0.03 0.00 -2.27 0.00 0.00 64.05 61.98 2j1k n THR 24 Cb 0.49 -4.02 0.17 0.00 -2.10 0.00 0.00 70.33 64.87 2j1k n THR 24 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2j1k n PRO 25 N -0.75 0.29 -3.70 -0.78 -0.02 -1.26 -4.53 135.00 124.25 2j1k n PRO 25 Ca -0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.26 2j1k n PRO 25 Cb 0.65 -1.32 -0.10 0.00 -0.02 0.00 0.00 33.50 32.71 2j1k n PRO 25 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2j1k s GLU 26 N -2.00 0.50 0.03 -0.52 2.12 -1.26 -1.95 118.70 115.62 2j1k s GLU 26 Ca 0.09 0.75 -0.01 0.00 0.36 0.00 0.00 54.97 56.16 2j1k s GLU 26 Cb 0.04 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.55 2j1k s GLU 26 CO 0.07 -0.11 -0.00 -1.21 -0.54 0.00 0.00 175.26 173.47 2j1k s GLU 27 N 0.81 0.47 -0.18 4.30 2.02 -0.93 -5.02 118.70 120.17 2j1k s GLU 27 Ca -0.05 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.12 2j1k s GLU 27 Cb -0.05 0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.37 2j1k s GLU 27 CO -0.06 -0.09 -0.19 -1.64 0.02 0.00 0.00 175.26 173.30 2j1k s MET 28 N -2.50 2.86 -0.08 1.61 -1.94 -1.26 -1.20 119.30 116.80 2j1k s MET 28 Ca -0.06 -0.80 0.05 0.00 -1.71 0.00 0.00 55.69 53.16 2j1k s MET 28 Cb -0.02 -2.51 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 2j1k s MET 28 CO -0.05 -0.22 -0.23 0.42 -0.01 0.00 0.00 175.02 174.93 2j1k s ILE 29 N 1.32 2.16 -0.06 2.53 1.01 0.85 -4.97 121.20 124.05 2j1k s ILE 29 Ca 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2j1k s ILE 29 Cb -0.13 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2j1k s ILE 29 CO -0.12 0.56 -0.05 -1.61 0.00 0.00 0.00 174.94 173.72 2j1k s GLU 30 N 0.04 2.75 0.19 2.79 2.02 -1.26 -0.52 118.70 124.71 2j1k s GLU 30 Ca -0.09 -0.56 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 2j1k s GLU 30 Cb -0.15 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 2j1k s GLU 30 CO 0.06 0.66 0.30 0.15 0.02 0.00 0.00 175.26 176.45 2j1k s LYS 31 N -0.96 1.26 0.21 1.61 -0.14 -0.91 -4.98 119.74 115.83 2j1k s LYS 31 Ca 0.14 -1.29 0.05 0.00 -1.36 0.00 0.00 55.97 53.51 2j1k s LYS 31 Cb -0.11 0.38 -0.04 0.00 -1.68 0.00 0.00 37.83 36.38 2j1k s LYS 31 CO 0.03 -0.47 0.21 0.00 -0.76 0.00 0.00 175.35 174.36 2j1k s ALA 32 N -4.02 3.68 -0.17 5.17 0.00 -1.26 -4.35 121.76 120.81 2j1k s ALA 32 Ca 0.23 -1.27 -0.32 0.00 0.00 0.00 0.00 51.96 50.60 2j1k s ALA 32 Cb 0.03 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.61 2j1k s ALA 32 CO 0.05 0.38 2.08 1.17 0.00 0.00 0.00 175.76 179.43 2j1k n LYS 33 N -0.83 1.97 0.00 0.00 0.00 -1.26 -2.08 118.16 115.96 2j1k n LYS 33 Ca -0.08 0.64 0.00 0.00 0.00 0.00 0.00 58.31 58.87 2j1k n LYS 33 Cb 0.56 -2.86 0.00 0.00 0.00 0.00 0.00 35.03 32.73 2j1k n LYS 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j1k n GLY 34 N 5.34 2.53 3.81 3.14 0.00 0.18 -4.93 105.19 115.26 2j1k n GLY 34 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2j1k n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j1k s GLU 35 N -0.36 1.08 -0.24 1.61 2.02 -0.89 -3.85 118.70 118.08 2j1k s GLU 35 Ca 0.00 0.16 -0.09 0.00 0.02 0.00 0.00 54.97 55.07 2j1k s GLU 35 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 2j1k s GLU 35 CO 0.00 -2.21 0.11 0.95 0.02 0.00 0.00 175.26 174.13 2j1k s THR 36 N -3.38 4.86 -0.14 3.63 -4.23 -1.26 -1.19 115.64 113.93 2j1k s THR 36 Ca 0.65 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.94 2j1k s THR 36 Cb -0.13 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.42 2j1k s THR 36 CO 0.53 0.34 0.70 0.00 -0.54 0.00 0.00 174.62 175.65 2j1k s ALA 37 N 1.27 3.46 -0.29 3.99 0.00 -0.71 -4.91 121.76 124.57 2j1k s ALA 37 Ca 0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 2j1k s ALA 37 Cb -0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2j1k s ALA 37 CO 0.05 -0.41 0.30 -0.47 0.00 0.00 0.00 175.76 175.24 2j1k s TYR 38 N 1.55 3.23 -0.44 0.00 5.04 -1.26 -0.92 117.35 124.55 2j1k s TYR 38 Ca 0.34 0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 55.09 2j1k s TYR 38 Cb -0.17 -2.52 0.10 0.00 0.35 0.00 0.00 41.96 39.72 2j1k s TYR 38 CO 0.13 -0.25 0.29 -0.51 -1.34 0.00 0.00 175.55 173.87 2j1k s LEU 39 N 1.94 5.37 0.04 6.97 1.43 0.57 -5.00 118.68 130.00 2j1k s LEU 39 Ca 0.11 -1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 51.20 2j1k s LEU 39 Cb -0.16 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2j1k s LEU 39 CO 0.11 -0.60 1.05 -2.16 0.23 0.00 0.00 176.35 174.97 2j1k s PRO 40 N 1.37 4.54 -0.37 1.29 0.04 -1.26 -1.73 135.00 138.88 2j1k s PRO 40 Ca 0.04 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.63 2j1k s PRO 40 Cb -0.24 -3.41 0.14 0.00 0.04 0.00 0.00 34.50 31.03 2j1k s PRO 40 CO 0.00 -0.07 0.23 0.00 0.04 0.00 0.00 177.00 177.21 2j1k s LYS 42 N 0.86 3.61 0.11 0.00 3.01 -1.26 -0.02 119.74 126.04 2j1k s LYS 42 Ca 0.20 -0.22 0.02 0.00 -1.01 0.00 0.00 55.97 54.96 2j1k s LYS 42 Cb -0.20 -3.18 -0.04 0.00 -1.01 0.00 0.00 37.83 33.40 2j1k s LYS 42 CO -0.02 0.59 -0.07 -0.59 0.51 0.00 0.00 175.35 175.78 2j1k s PHE 43 N -0.50 0.98 0.08 3.18 -0.12 -0.22 -1.32 117.98 120.05 2j1k s PHE 43 Ca 0.11 -0.90 0.10 0.00 -0.05 0.00 0.00 56.93 56.20 2j1k s PHE 43 Cb -0.12 -0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 2j1k s PHE 43 CO 0.02 -0.11 -0.26 0.99 -0.05 0.00 0.00 175.22 175.80 2j1k s THR 44 N -3.58 2.16 -0.01 -4.49 2.01 -0.22 -4.55 115.64 106.97 2j1k s THR 44 Ca 0.13 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.60 2j1k s THR 44 Cb 0.05 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2j1k s THR 44 CO -0.03 0.24 0.05 -0.76 -0.69 0.00 0.00 174.62 173.43 2j1k s LEU 45 N -1.57 3.76 0.36 4.42 1.43 -1.26 -2.88 118.68 122.94 2j1k s LEU 45 Ca 0.12 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2j1k s LEU 45 Cb -0.10 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2j1k s LEU 45 CO 0.04 0.28 0.31 -0.94 0.23 0.00 0.00 176.35 176.26 2j1k s SER 46 N -1.63 5.19 0.54 2.29 1.04 -1.26 -2.45 113.70 117.42 2j1k s SER 46 Ca 0.21 -0.58 0.25 0.00 0.48 0.00 0.00 55.95 56.31 2j1k s SER 46 Cb -0.12 -0.85 1.53 0.00 0.10 0.00 0.00 66.02 66.68 2j1k s SER 46 CO 0.12 -0.43 2.16 -0.65 0.98 0.00 0.00 173.24 175.41 2j1k h PRO 47 N 1.21 0.00 0.00 4.02 0.11 -1.88 -1.76 132.00 133.70 2j1k h PRO 47 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 2j1k h PRO 47 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2j1k h PRO 47 CO 0.58 0.06 -0.26 1.05 -0.21 0.00 0.00 178.00 179.22 2j1k h GLU 48 N 0.00 0.00 -5.79 1.05 4.11 -1.94 -3.41 114.58 108.60 2j1k h GLU 48 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 2j1k h GLU 48 Cb 0.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 2j1k h GLU 48 CO 0.01 0.26 1.41 -0.51 0.07 0.00 0.00 179.01 180.24 2j1k s ASP 49 N -6.47 5.90 0.00 3.06 1.01 -0.66 -4.30 116.67 115.21 2j1k s ASP 49 Ca -0.02 -1.60 0.08 0.00 0.71 0.00 0.00 52.55 51.72 2j1k s ASP 49 Cb 0.13 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.53 2j1k s ASP 49 CO 0.65 -2.10 0.70 0.00 0.21 0.00 0.00 175.17 174.64 2j1k n GLN 50 N 8.59 0.46 -1.66 8.23 6.02 -0.42 -4.85 117.38 133.75 2j1k n GLN 50 Ca 0.42 -0.88 -0.30 0.00 -0.01 0.00 0.00 57.00 56.23 2j1k n GLN 50 Cb 0.48 -1.12 0.21 0.00 1.02 0.00 0.00 30.24 30.82 2j1k n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2j1k s GLY 51 N -0.72 1.72 0.41 1.08 0.00 0.11 -4.92 107.32 105.01 2j1k s GLY 51 Ca 0.08 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.42 2j1k s GLY 51 CO 0.11 -0.32 1.15 2.56 0.00 0.00 0.00 173.10 176.60 2j1k s PRO 52 N -5.75 4.01 0.01 2.90 0.04 -1.26 -4.46 135.00 130.49 2j1k s PRO 52 Ca 0.73 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 2j1k s PRO 52 Cb -0.05 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 2j1k s PRO 52 CO 0.54 -0.33 1.32 -1.17 0.04 0.00 0.00 177.00 177.40 2j1k s LEU 53 N -2.62 4.32 -0.21 -3.56 2.96 -1.26 -4.37 118.68 113.93 2j1k s LEU 53 Ca 0.58 2.05 -0.02 0.00 -0.22 0.00 0.00 54.13 56.52 2j1k s LEU 53 Cb -0.29 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 42.90 2j1k s LEU 53 CO 0.36 -0.64 0.03 -0.62 -1.32 0.00 0.00 176.35 174.16 2j1k s ASP 54 N 1.58 3.13 -0.02 3.68 -1.08 -0.36 -4.18 116.67 119.42 2j1k s ASP 54 Ca 0.61 -0.95 0.06 0.00 -0.52 0.00 0.00 52.55 51.76 2j1k s ASP 54 Cb -0.30 -0.68 -0.01 0.00 -1.46 0.00 0.00 42.92 40.47 2j1k s ASP 54 CO 0.26 -0.31 -0.21 -0.63 0.52 0.00 0.00 175.17 174.80 2j1k s ILE 55 N 1.79 1.68 -0.01 4.11 1.01 -0.11 -0.86 121.20 128.81 2j1k s ILE 55 Ca -0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2j1k s ILE 55 Cb -0.17 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.90 2j1k s ILE 55 CO -0.10 0.48 0.13 -1.83 0.00 0.00 0.00 174.94 173.61 2j1k s GLU 56 N -0.40 0.38 -0.09 2.79 -1.05 -0.81 -0.63 118.70 118.89 2j1k s GLU 56 Ca 0.06 -0.24 -0.00 0.00 -0.15 0.00 0.00 54.97 54.63 2j1k s GLU 56 Cb -0.09 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 2j1k s GLU 56 CO -0.00 -0.08 -0.07 -1.58 0.95 0.00 0.00 175.26 174.48 2j1k s TRP 57 N -0.98 2.94 0.11 4.83 0.52 -0.58 -1.00 118.94 124.79 2j1k s TRP 57 Ca -0.11 -0.10 0.09 0.00 0.02 0.00 0.00 56.10 56.01 2j1k s TRP 57 Cb -0.06 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 2j1k s TRP 57 CO 0.01 0.21 -0.22 -0.51 0.02 0.00 0.00 176.95 176.46 2j1k s LEU 58 N -0.48 2.31 -0.11 2.99 1.43 0.92 -0.99 118.68 124.75 2j1k s LEU 58 Ca 0.07 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2j1k s LEU 58 Cb -0.12 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.15 2j1k s LEU 58 CO 0.02 0.08 -0.18 -0.51 0.23 0.00 0.00 176.35 175.99 2j1k s ILE 59 N -1.19 1.70 -0.76 -0.59 2.07 0.50 -0.07 121.20 122.86 2j1k s ILE 59 Ca 0.09 -0.78 -0.09 0.00 -1.41 0.00 0.00 60.65 58.46 2j1k s ILE 59 Cb -0.10 -1.52 0.20 0.00 0.13 0.00 0.00 42.46 41.17 2j1k s ILE 59 CO 0.05 0.48 0.65 -0.44 -1.91 0.00 0.00 174.94 173.77 2j1k s SER 60 N 0.81 6.15 0.45 4.50 0.01 0.04 -1.31 113.70 124.35 2j1k s SER 60 Ca -0.09 -2.81 -0.24 0.00 1.31 0.00 0.00 55.95 54.12 2j1k s SER 60 Cb -0.16 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 63.94 2j1k s SER 60 CO 0.00 -0.47 1.20 -2.16 0.41 0.00 0.00 173.24 172.23 2j1k s PRO 61 N -0.01 3.78 0.26 12.44 0.04 -1.26 -1.71 135.00 148.53 2j1k s PRO 61 Ca 0.18 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 2j1k s PRO 61 Cb -0.14 -2.49 0.34 0.00 0.04 0.00 0.00 34.50 32.25 2j1k s PRO 61 CO -0.07 -0.57 1.73 0.00 0.04 0.00 0.00 177.00 178.14 2j1k h ALA 62 N 2.18 1.08 0.00 8.56 0.00 -1.35 -3.27 119.26 126.46 2j1k h ALA 62 Ca -0.49 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2j1k h ALA 62 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2j1k h ALA 62 CO 0.61 0.57 0.00 0.38 0.00 0.00 0.00 179.25 180.81 2j1k h ASP 63 N 0.64 0.00 -2.86 0.00 3.04 -1.90 -3.45 116.42 111.88 2j1k h ASP 63 Ca 0.11 0.00 -0.64 0.00 -3.24 0.00 0.00 57.03 53.27 2j1k h ASP 63 Cb 0.55 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 38.67 2j1k h ASP 63 CO 0.03 0.00 -0.78 0.20 -2.04 0.00 0.00 179.24 176.65 2j1k s ASN 64 N -5.44 3.64 0.33 4.15 -0.87 -1.23 -5.03 114.94 110.49 2j1k s ASN 64 Ca 0.05 -0.86 0.12 0.00 -1.57 0.00 0.00 52.86 50.60 2j1k s ASN 64 Cb 0.08 -0.36 0.59 0.00 -0.02 0.00 0.00 41.25 41.54 2j1k s ASN 64 CO 0.58 0.09 1.75 1.56 -2.57 0.00 0.00 177.10 178.51 2j1k h GLN 65 N 2.86 0.02 -6.95 -0.60 1.08 -1.87 -3.44 115.11 106.20 2j1k h GLN 65 Ca -0.45 -0.01 -0.52 0.00 -1.45 0.00 0.00 58.65 56.22 2j1k h GLN 65 Cb 1.22 -0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.73 2j1k h GLN 65 CO 0.52 0.47 0.58 -1.59 -0.95 0.00 0.00 178.83 177.86 2j1k s LYS 66 N -4.01 3.92 0.09 1.46 -2.85 -1.26 -5.02 119.74 112.07 2j1k s LYS 66 Ca -0.02 2.06 0.02 0.00 -1.00 0.00 0.00 55.97 57.03 2j1k s LYS 66 Cb 0.14 -2.69 -0.04 0.00 -2.06 0.00 0.00 37.83 33.18 2j1k s LYS 66 CO 0.74 -0.50 -0.07 0.54 0.10 0.00 0.00 175.35 176.16 2j1k s VAL 67 N -1.32 0.71 -1.35 1.79 0.11 -1.26 -4.13 120.40 114.96 2j1k s VAL 67 Ca 0.58 -1.75 -0.00 0.00 -2.93 0.00 0.00 61.98 57.88 2j1k s VAL 67 Cb -0.36 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2j1k s VAL 67 CO 0.45 -0.74 0.60 0.47 -3.33 0.00 0.00 175.10 172.55 2j1k n ASP 68 N 0.30 -0.88 -4.65 3.54 9.92 -1.20 -4.92 116.55 118.65 2j1k n ASP 68 Ca -0.14 -0.89 -0.39 0.00 -0.53 0.00 0.00 54.79 52.84 2j1k n ASP 68 Cb 0.59 -3.68 -0.08 0.00 -0.64 0.00 0.00 41.12 37.32 2j1k n ASP 68 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2j1k s GLN 69 N -6.20 4.11 0.23 -1.24 -1.52 -0.43 -4.79 119.66 109.83 2j1k s GLN 69 Ca 0.01 0.16 -0.32 0.00 -1.95 0.00 0.00 55.36 53.27 2j1k s GLN 69 Cb -0.01 -3.58 -0.13 0.00 -0.22 0.00 0.00 33.01 29.07 2j1k s GLN 69 CO 0.84 -0.14 1.58 0.28 -0.25 0.00 0.00 175.29 177.60 2j1k n VAL 70 N 4.66 0.54 -0.04 1.09 0.31 -1.26 -0.37 118.33 123.25 2j1k n VAL 70 Ca -0.08 -0.13 -0.04 0.00 -0.01 0.00 0.00 64.34 64.07 2j1k n VAL 70 Cb 0.51 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 2j1k n VAL 70 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2j1k n ILE 71 N 2.80 0.55 -3.52 2.52 -5.35 -0.16 -3.63 119.36 112.56 2j1k n ILE 71 Ca 0.13 -0.32 -0.16 0.00 -0.27 0.00 0.00 62.75 62.13 2j1k n ILE 71 Cb 0.33 -0.80 -0.05 0.00 -1.74 0.00 0.00 39.64 37.38 2j1k n ILE 71 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2j1k s ILE 72 N -2.19 0.00 -0.04 7.28 2.07 -1.23 -4.52 121.20 122.56 2j1k s ILE 72 Ca -0.05 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.16 2j1k s ILE 72 Cb 0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.63 2j1k s ILE 72 CO 0.32 0.00 0.10 -0.22 -1.91 0.00 0.00 174.94 173.22 2j1k s LEU 73 N -1.34 1.54 -0.20 8.50 2.96 -0.04 -1.53 118.68 128.56 2j1k s LEU 73 Ca -0.08 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2j1k s LEU 73 Cb -0.00 0.31 0.04 0.00 0.50 0.00 0.00 46.19 47.03 2j1k s LEU 73 CO 0.06 -0.05 -0.15 -0.47 -1.32 0.00 0.00 176.35 174.42 2j1k s TYR 74 N 0.19 2.76 -0.13 5.38 5.04 0.19 -0.80 117.35 129.98 2j1k s TYR 74 Ca -0.01 -1.77 -0.10 0.00 -2.44 0.00 0.00 57.07 52.75 2j1k s TYR 74 Cb -0.02 -1.82 0.04 0.00 0.35 0.00 0.00 41.96 40.51 2j1k s TYR 74 CO -0.01 -0.80 0.33 0.45 -1.34 0.00 0.00 175.55 174.19 2j1k s SER 75 N 1.29 -0.36 -1.43 4.32 0.15 -0.56 -0.94 113.70 116.17 2j1k s SER 75 Ca -0.00 0.68 -0.05 0.00 0.70 0.00 0.00 55.95 57.27 2j1k s SER 75 Cb -0.16 0.65 0.04 0.00 -1.71 0.00 0.00 66.02 64.84 2j1k s SER 75 CO -0.10 -0.13 0.68 0.61 1.20 0.00 0.00 173.24 175.51 2j1k n GLY 76 N 3.27 -0.33 2.51 9.45 0.00 -1.26 -1.68 105.19 117.15 2j1k n GLY 76 Ca -0.16 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2j1k n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j1k n ASP 77 N -2.94 -5.31 -4.15 1.61 9.92 -1.26 -4.99 116.55 109.43 2j1k n ASP 77 Ca -0.19 0.37 -0.14 0.00 -0.53 0.00 0.00 54.79 54.30 2j1k n ASP 77 Cb 0.63 -4.45 -0.11 0.00 -0.64 0.00 0.00 41.12 36.55 2j1k n ASP 77 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2j1k s LYS 78 N -3.86 0.77 -0.15 -1.24 1.02 -0.68 -5.14 119.74 110.45 2j1k s LYS 78 Ca 0.00 -1.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.91 2j1k s LYS 78 Cb 0.00 -0.48 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 2j1k s LYS 78 CO 0.00 0.08 -0.09 0.42 -0.92 0.00 0.00 175.35 174.84 2j1k s ILE 79 N -2.18 3.41 -0.14 2.17 1.01 -1.26 -1.49 121.20 122.72 2j1k s ILE 79 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2j1k s ILE 79 Cb -0.05 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.97 2j1k s ILE 79 CO -0.00 0.51 -0.19 -0.31 0.00 0.00 0.00 174.94 174.94 2j1k s TYR 80 N 0.42 2.45 -0.01 3.97 2.02 0.02 -5.00 117.35 121.22 2j1k s TYR 80 Ca -0.07 -1.27 0.06 0.00 -0.37 0.00 0.00 57.07 55.42 2j1k s TYR 80 Cb -0.15 -1.70 0.10 0.00 -0.40 0.00 0.00 41.96 39.81 2j1k s TYR 80 CO 0.04 -0.61 1.04 -0.40 -1.57 0.00 0.00 175.55 174.05 2j1k n ASP 81 N 4.26 0.35 -2.79 2.29 5.75 -1.26 -0.86 116.55 124.29 2j1k n ASP 81 Ca -0.20 -2.10 -0.27 0.00 -0.01 0.00 0.00 54.79 52.22 2j1k n ASP 81 Cb 0.51 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 2j1k n ASP 81 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2j1k n ASP 82 N -0.01 4.56 -0.06 -1.12 2.03 -1.26 -4.77 116.55 115.91 2j1k n ASP 82 Ca 0.02 -3.70 -0.12 0.00 0.52 0.00 0.00 54.79 51.52 2j1k n ASP 82 Cb 0.78 -0.53 -0.04 0.00 -0.72 0.00 0.00 41.12 40.61 2j1k n ASP 82 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2j1k n TYR 83 N -0.32 0.00 -3.14 -0.67 4.01 -1.26 -4.91 117.16 110.86 2j1k n TYR 83 Ca 0.34 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.64 2j1k n TYR 83 Cb 0.48 -0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 2j1k n TYR 83 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2j1k s TYR 84 N -2.44 3.03 0.22 -0.72 5.04 -1.24 -4.95 117.35 116.30 2j1k s TYR 84 Ca -0.21 -0.63 0.31 0.00 -2.44 0.00 0.00 57.07 54.11 2j1k s TYR 84 Cb 0.06 -3.67 1.39 0.00 0.35 0.00 0.00 41.96 40.09 2j1k s TYR 84 CO 0.28 -1.11 2.00 -1.00 -1.34 0.00 0.00 175.55 174.39 2j1k h PRO 85 N 9.05 0.00 -0.22 4.97 0.13 -1.94 -2.81 132.00 141.18 2j1k h PRO 85 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 2j1k h PRO 85 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2j1k h PRO 85 CO 1.00 0.08 -0.18 -0.44 -0.23 0.00 0.00 178.00 178.23 2j1k h ASP 86 N 0.00 0.38 -0.87 1.44 5.19 -2.02 -2.90 116.42 117.64 2j1k h ASP 86 Ca -0.00 -0.10 -0.37 0.00 -0.62 0.00 0.00 57.03 55.94 2j1k h ASP 86 Cb 0.49 -0.10 -0.22 0.00 0.18 0.00 0.00 39.33 39.68 2j1k h ASP 86 CO 0.01 0.58 0.47 0.18 -3.12 0.00 0.00 179.24 177.36 2j1k n LEU 87 N -4.19 6.42 -4.63 1.55 4.77 -1.06 -5.00 117.00 114.86 2j1k n LEU 87 Ca -0.00 -3.39 -0.49 0.00 -0.03 0.00 0.00 56.01 52.10 2j1k n LEU 87 Cb 0.34 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 2j1k n LEU 87 CO 0.40 0.92 1.58 1.17 -1.33 0.00 0.00 177.39 180.14 2j1k n LYS 88 N -0.64 1.84 -0.97 3.23 3.00 -1.10 -1.36 118.16 122.17 2j1k n LYS 88 Ca 0.50 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 59.45 2j1k n LYS 88 Cb 1.53 -2.63 0.00 0.00 0.00 0.00 0.00 35.03 33.93 2j1k n LYS 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j1k n GLY 89 N 4.99 0.75 0.34 3.14 0.00 -1.26 -4.88 105.19 108.26 2j1k n GLY 89 Ca 0.28 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.33 2j1k n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j1k n ARG 90 N -2.21 1.12 -5.03 1.61 1.74 -0.46 -4.96 116.66 108.46 2j1k n ARG 90 Ca 0.00 -1.29 -0.29 0.00 -0.77 0.00 0.00 57.85 55.50 2j1k n ARG 90 Cb 0.02 -1.15 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 2j1k n ARG 90 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2j1k s VAL 91 N -0.75 1.75 -0.16 1.55 1.01 -1.24 -1.53 120.40 121.03 2j1k s VAL 91 Ca 0.11 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 2j1k s VAL 91 Cb 0.07 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 35.00 2j1k s VAL 91 CO 0.09 0.49 0.66 -1.38 0.00 0.00 0.00 175.10 174.96 2j1k s HIS 92 N 0.20 -0.68 0.26 5.22 -3.43 -1.20 -5.03 115.29 110.64 2j1k s HIS 92 Ca -0.11 1.44 -0.30 0.00 -0.80 0.00 0.00 55.06 55.30 2j1k s HIS 92 Cb -0.15 0.31 -0.11 0.00 -1.43 0.00 0.00 32.58 31.20 2j1k s HIS 92 CO 0.05 -0.46 1.50 -0.06 -2.00 0.00 0.00 174.74 173.77 2j1k s PHE 93 N -0.37 2.92 0.13 0.38 0.08 -1.26 -2.25 117.98 117.61 2j1k s PHE 93 Ca -0.05 0.93 0.04 0.00 0.12 0.00 0.00 56.93 57.97 2j1k s PHE 93 Cb -0.03 -3.91 -0.15 0.00 -0.57 0.00 0.00 43.02 38.36 2j1k s PHE 93 CO 0.05 -3.02 1.30 1.79 -0.10 0.00 0.00 175.22 175.23 2j1k h THR 94 N 3.50 1.62 -3.81 0.64 1.35 -1.36 -3.47 112.91 111.39 2j1k h THR 94 Ca -0.46 -3.14 -0.50 0.00 -0.55 0.00 0.00 66.41 61.76 2j1k h THR 94 Cb 1.22 2.75 0.02 0.00 -1.73 0.00 0.00 68.15 70.41 2j1k h THR 94 CO 0.79 0.90 0.47 -0.55 -0.25 0.00 0.00 175.52 176.88 2j1k s SER 95 N -6.83 7.27 0.16 5.36 0.15 -1.26 -4.93 113.70 113.60 2j1k s SER 95 Ca -0.01 2.26 0.27 0.00 0.70 0.00 0.00 55.95 59.17 2j1k s SER 95 Cb 0.10 -2.63 0.92 0.00 -1.71 0.00 0.00 66.02 62.70 2j1k s SER 95 CO 0.83 -0.14 1.81 -0.46 1.20 0.00 0.00 173.24 176.48 2j1k n ASN 96 N 1.17 0.61 -3.31 5.45 6.94 -1.26 -4.54 115.26 120.31 2j1k n ASN 96 Ca -0.01 0.56 -0.19 0.00 -0.02 0.00 0.00 54.58 54.92 2j1k n ASN 96 Cb 0.45 -0.72 -0.08 0.00 -2.36 0.00 0.00 39.78 37.07 2j1k n ASN 96 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2j1k s ASP 97 N -4.14 1.10 0.06 0.53 2.15 -1.26 -5.02 116.67 110.09 2j1k s ASP 97 Ca 0.11 -1.95 -0.20 0.00 0.43 0.00 0.00 52.55 50.94 2j1k s ASP 97 Cb 0.14 0.42 -0.11 0.00 -0.30 0.00 0.00 42.92 43.07 2j1k s ASP 97 CO 0.57 -0.22 1.47 -0.07 -0.17 0.00 0.00 175.17 176.75 2j1k h LEU 98 N 6.55 0.33 -1.98 -1.34 4.07 -1.80 -3.18 115.31 117.97 2j1k h LEU 98 Ca 0.10 -0.34 0.07 0.00 0.08 0.00 0.00 57.88 57.79 2j1k h LEU 98 Cb 1.03 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2j1k h LEU 98 CO 0.22 0.59 0.40 0.07 -1.08 0.00 0.00 178.44 178.64 2j1k h LYS 99 N 0.06 0.00 0.00 1.13 2.10 -1.95 0.28 116.57 118.19 2j1k h LYS 99 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2j1k h LYS 99 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2j1k h LYS 99 CO 0.01 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.89 2j1k n SER 100 N -3.40 0.00 0.00 7.07 7.64 -1.20 -4.88 113.62 118.85 2j1k n SER 100 Ca 0.04 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2j1k n SER 100 Cb 0.52 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2j1k n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j1k n GLY 101 N 0.88 1.83 2.83 0.23 0.00 0.96 -5.00 105.19 106.92 2j1k n GLY 101 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2j1k n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j1k s ASP 102 N -1.87 4.08 -0.39 1.61 -1.08 -0.98 -1.05 116.67 116.98 2j1k s ASP 102 Ca 0.00 -2.45 0.04 0.00 -0.52 0.00 0.00 52.55 49.62 2j1k s ASP 102 Cb 0.00 -1.26 0.62 0.00 -1.46 0.00 0.00 42.92 40.82 2j1k s ASP 102 CO 0.00 -0.31 1.82 0.00 0.52 0.00 0.00 175.17 177.20 2j1k n ALA 103 N 3.81 5.20 -1.80 3.66 0.00 0.97 -4.38 120.51 127.96 2j1k n ALA 103 Ca 0.05 -2.56 -0.34 0.00 0.00 0.00 0.00 53.44 50.59 2j1k n ALA 103 Cb 0.37 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 2j1k n ALA 103 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2j1k s SER 104 N -1.05 6.43 0.35 0.00 0.01 -1.21 -4.37 113.70 113.87 2j1k s SER 104 Ca 0.51 1.93 0.03 0.00 1.31 0.00 0.00 55.95 59.74 2j1k s SER 104 Cb 0.43 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 2j1k s SER 104 CO 0.10 -0.72 0.10 0.27 0.41 0.00 0.00 173.24 173.41 2j1k s ILE 105 N -1.94 0.79 0.02 1.44 -4.36 -0.71 -0.96 121.20 115.48 2j1k s ILE 105 Ca 0.66 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 2j1k s ILE 105 Cb -0.17 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 2j1k s ILE 105 CO 0.21 0.00 -0.03 0.54 0.24 0.00 0.00 174.94 175.89 2j1k s ASN 106 N -3.51 0.33 -0.45 4.36 6.03 -0.96 -0.32 114.94 120.44 2j1k s ASN 106 Ca 0.31 -0.36 -0.11 0.00 -1.03 0.00 0.00 52.86 51.66 2j1k s ASN 106 Cb 0.06 0.05 0.08 0.00 -3.03 0.00 0.00 41.25 38.41 2j1k s ASN 106 CO 0.15 -0.18 0.32 -0.69 -2.03 0.00 0.00 177.10 174.67 2j1k s VAL 107 N -1.00 4.56 0.54 3.54 1.01 -0.10 -3.23 120.40 125.72 2j1k s VAL 107 Ca -0.10 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.36 2j1k s VAL 107 Cb -0.07 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 2j1k s VAL 107 CO -0.00 -0.57 1.02 0.42 0.00 0.00 0.00 175.10 175.96 2j1k s THR 108 N 1.49 4.17 -1.16 3.92 -4.23 -0.58 -1.74 115.64 117.51 2j1k s THR 108 Ca 0.04 1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 61.62 2j1k s THR 108 Cb -0.24 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 2j1k s THR 108 CO 0.03 -0.55 0.98 -3.20 -0.54 0.00 0.00 174.62 171.34 2j1k n ASN 109 N -1.62 -3.18 -4.65 3.99 5.15 -1.20 -4.88 115.26 108.87 2j1k n ASN 109 Ca 0.08 -0.65 -0.47 0.00 -0.60 0.00 0.00 54.58 52.95 2j1k n ASN 109 Cb 0.53 -5.14 -0.04 0.00 -0.53 0.00 0.00 39.78 34.61 2j1k n ASN 109 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2j1k n LEU 110 N -3.91 2.70 -4.60 1.20 4.77 -0.33 -4.63 117.00 112.20 2j1k n LEU 110 Ca -0.24 1.12 -0.26 0.00 -0.03 0.00 0.00 56.01 56.60 2j1k n LEU 110 Cb 0.66 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.28 2j1k n LEU 110 CO 0.61 -0.62 -0.32 -1.10 -1.33 0.00 0.00 177.39 174.63 2j1k s GLN 111 N 0.07 1.94 0.46 3.23 -1.52 -1.26 -0.64 119.66 121.93 2j1k s GLN 111 Ca 0.74 -1.96 0.18 0.00 -1.95 0.00 0.00 55.36 52.37 2j1k s GLN 111 Cb -0.72 -1.74 1.09 0.00 -0.22 0.00 0.00 33.01 31.41 2j1k s GLN 111 CO 0.46 0.05 1.98 -0.07 -0.25 0.00 0.00 175.29 177.47 2j1k h LEU 112 N 1.85 0.00 -0.60 2.90 3.38 -1.95 -2.56 115.31 118.33 2j1k h LEU 112 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2j1k h LEU 112 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2j1k h LEU 112 CO 0.73 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.92 2j1k n SER 113 N -4.04 0.88 -0.33 -0.43 3.41 -1.26 -3.40 113.62 108.45 2j1k n SER 113 Ca -0.02 -1.99 0.11 0.00 -0.26 0.00 0.00 58.87 56.71 2j1k n SER 113 Cb 0.28 -0.11 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 2j1k n SER 113 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2j1k n ASP 114 N -0.02 1.55 -4.70 4.04 8.00 -0.96 -4.89 116.55 119.57 2j1k n ASP 114 Ca 0.06 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 2j1k n ASP 114 Cb 0.14 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 2j1k n ASP 114 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2j1k s ILE 115 N -2.61 2.73 -2.93 0.53 1.01 -1.22 -4.90 121.20 113.81 2j1k s ILE 115 Ca 0.17 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2j1k s ILE 115 Cb 0.18 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2j1k s ILE 115 CO 0.62 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.18 2j1k n GLY 116 N 4.03 -2.17 3.67 6.18 0.00 -1.07 -0.84 105.19 114.98 2j1k n GLY 116 Ca 0.16 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 2j1k n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j1k s THR 117 N -2.01 5.19 -0.18 2.61 2.01 -0.69 -1.28 115.64 121.29 2j1k s THR 117 Ca 0.00 0.71 -0.07 0.00 0.31 0.00 0.00 61.69 62.64 2j1k s THR 117 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2j1k s THR 117 CO 0.00 0.24 0.05 -0.31 -0.69 0.00 0.00 174.62 173.91 2j1k s TYR 118 N 1.35 3.21 -0.14 4.92 2.02 0.18 -0.78 117.35 128.11 2j1k s TYR 118 Ca 0.19 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 2j1k s TYR 118 Cb -0.15 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2j1k s TYR 118 CO 0.08 0.11 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.88 2j1k s GLN 119 N 0.40 3.26 -0.18 -0.62 0.74 0.90 0.74 119.66 124.89 2j1k s GLN 119 Ca 0.02 -0.74 -0.12 0.00 0.05 0.00 0.00 55.36 54.57 2j1k s GLN 119 Cb -0.13 -2.61 -0.05 0.00 1.10 0.00 0.00 33.01 31.33 2j1k s GLN 119 CO 0.01 0.08 0.22 0.00 -0.55 0.00 0.00 175.29 175.05 2j1k s LYS 121 N 0.43 1.87 -0.13 0.00 1.02 -0.17 0.13 119.74 122.90 2j1k s LYS 121 Ca 0.13 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.73 2j1k s LYS 121 Cb -0.12 -1.79 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 2j1k s LYS 121 CO 0.01 -0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 174.14 2j1k s VAL 122 N 1.52 2.72 -0.05 3.17 1.01 0.45 -1.92 120.40 127.29 2j1k s VAL 122 Ca 0.03 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2j1k s VAL 122 Cb -0.13 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 2j1k s VAL 122 CO -0.08 0.53 -0.19 -0.54 0.00 0.00 0.00 175.10 174.81 2j1k s LYS 123 N 0.50 2.10 -0.37 2.72 1.02 -0.04 -0.63 119.74 125.04 2j1k s LYS 123 Ca -0.11 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.22 2j1k s LYS 123 Cb -0.16 -1.77 0.16 0.00 -0.52 0.00 0.00 37.83 35.53 2j1k s LYS 123 CO 0.05 0.26 0.39 0.21 -0.92 0.00 0.00 175.35 175.33 2j1k s LYS 124 N 0.07 0.63 0.31 1.68 2.20 -0.42 -1.22 119.74 122.98 2j1k s LYS 124 Ca -0.06 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 2j1k s LYS 124 Cb -0.13 -0.66 -0.13 0.00 -1.51 0.00 0.00 37.83 35.41 2j1k s LYS 124 CO 0.03 -1.18 1.35 0.00 -0.36 0.00 0.00 175.35 175.19 2j1k n ALA 125 N 4.34 1.36 1.89 3.13 0.00 -1.26 -0.75 120.51 129.22 2j1k n ALA 125 Ca 0.10 0.38 0.14 0.00 0.00 0.00 0.00 53.44 54.06 2j1k n ALA 125 Cb 0.46 -2.28 0.86 0.00 0.00 0.00 0.00 19.45 18.49 2j1k n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2j1k n PRO 126 N 1.07 0.94 -2.03 0.00 -0.04 -1.26 -0.71 135.00 132.97 2j1k n PRO 126 Ca 0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.12 2j1k n PRO 126 Cb 0.35 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2j1k n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2j1k s GLY 127 N -1.96 2.50 -0.10 0.55 0.00 0.07 -5.03 107.32 103.36 2j1k s GLY 127 Ca 0.43 1.32 -0.05 0.00 0.00 0.00 0.00 44.72 46.42 2j1k s GLY 127 CO 0.33 2.20 0.23 0.14 0.00 0.00 0.00 173.10 176.01 2j1k s VAL 128 N -0.29 -0.04 0.02 1.40 1.01 -1.26 -1.31 120.40 119.93 2j1k s VAL 128 Ca 0.57 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 2j1k s VAL 128 Cb -0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 2j1k s VAL 128 CO 0.46 0.06 0.14 0.00 0.00 0.00 0.00 175.10 175.76 2j1k s ALA 129 N 1.18 -0.25 0.08 5.51 0.00 0.20 -4.87 121.76 123.60 2j1k s ALA 129 Ca -0.09 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2j1k s ALA 129 Cb -0.10 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2j1k s ALA 129 CO -0.08 -0.28 -0.07 0.54 0.00 0.00 0.00 175.76 175.87 2j1k s ASN 130 N -1.79 1.02 -0.01 0.00 2.20 -1.26 -0.41 114.94 114.69 2j1k s ASN 130 Ca -0.09 -0.83 0.01 0.00 -0.94 0.00 0.00 52.86 51.01 2j1k s ASN 130 Cb -0.04 0.07 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 2j1k s ASN 130 CO -0.02 -0.36 -0.03 -0.75 -2.94 0.00 0.00 177.10 173.00 2j1k s LYS 131 N -2.95 0.34 -0.14 3.55 2.20 0.12 -4.88 119.74 117.99 2j1k s LYS 131 Ca 0.03 -0.10 -0.06 0.00 -0.36 0.00 0.00 55.97 55.49 2j1k s LYS 131 Cb -0.01 -0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 35.91 2j1k s LYS 131 CO -0.03 0.04 0.05 0.15 -0.36 0.00 0.00 175.35 175.20 2j1k s LYS 132 N 0.16 3.61 -0.15 4.03 -0.14 -0.82 -0.21 119.74 126.22 2j1k s LYS 132 Ca -0.01 -0.33 -0.00 0.00 -1.36 0.00 0.00 55.97 54.26 2j1k s LYS 132 Cb -0.04 -3.08 0.03 0.00 -1.68 0.00 0.00 37.83 33.06 2j1k s LYS 132 CO -0.00 0.47 -0.07 0.42 -0.76 0.00 0.00 175.35 175.40 2j1k s ILE 133 N -0.21 1.20 -0.25 2.17 1.01 0.23 -2.20 121.20 123.16 2j1k s ILE 133 Ca 0.07 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 2j1k s ILE 133 Cb -0.12 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 2j1k s ILE 133 CO 0.01 0.24 0.68 -1.00 0.00 0.00 0.00 174.94 174.87 2j1k s HIS 134 N 1.61 3.30 -0.23 3.97 3.76 -0.34 0.49 115.29 127.85 2j1k s HIS 134 Ca 0.02 0.91 -0.06 0.00 -0.15 0.00 0.00 55.06 55.78 2j1k s HIS 134 Cb -0.14 -2.89 -0.02 0.00 1.11 0.00 0.00 32.58 30.64 2j1k s HIS 134 CO -0.08 -0.33 0.03 -1.17 -0.85 0.00 0.00 174.74 172.33 2j1k s LEU 135 N 2.53 3.26 -0.06 0.89 2.96 -0.41 -0.10 118.68 127.76 2j1k s LEU 135 Ca 0.29 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2j1k s LEU 135 Cb -0.15 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2j1k s LEU 135 CO 0.08 -0.01 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.41 2j1k s VAL 136 N 1.45 4.21 0.00 1.68 1.01 0.32 -2.60 120.40 126.47 2j1k s VAL 136 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2j1k s VAL 136 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2j1k s VAL 136 CO 0.01 0.53 0.00 0.52 0.00 0.00 0.00 175.10 176.16