#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 0.57 -3.44 0.00 2.43 -1.96 -3.39 114.38 108.59 2j1k h ARG 18 Ca 0.00 -0.50 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 2j1k h ARG 18 Cb 0.00 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 2j1k h ARG 18 CO 0.00 1.12 0.02 -1.54 -1.51 0.00 0.00 179.97 178.07 2j1k s SER 19 N -7.07 0.02 0.08 -3.80 1.04 -1.26 -4.88 113.70 97.83 2j1k s SER 19 Ca -0.08 -0.96 -0.31 0.00 0.48 0.00 0.00 55.95 55.08 2j1k s SER 19 Cb 0.09 0.68 -0.08 0.00 0.10 0.00 0.00 66.02 66.81 2j1k s SER 19 CO 0.87 -1.31 1.55 -0.22 0.98 0.00 0.00 173.24 175.12 2j1k s LEU 20 N -3.03 4.36 0.07 2.42 0.20 -1.26 -4.43 118.68 117.00 2j1k s LEU 20 Ca 0.20 2.41 -0.11 0.00 0.69 0.00 0.00 54.13 57.31 2j1k s LEU 20 Cb -0.03 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.17 2j1k s LEU 20 CO 0.10 -0.81 0.26 -0.94 -0.29 0.00 0.00 176.35 174.67 2j1k s SER 21 N 1.92 -0.02 0.15 3.68 1.04 -1.07 -4.57 113.70 114.83 2j1k s SER 21 Ca 0.70 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.79 2j1k s SER 21 Cb -0.38 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2j1k s SER 21 CO 0.31 -0.68 0.02 -0.63 0.98 0.00 0.00 173.24 173.24 2j1k s ILE 22 N -3.19 3.93 -0.17 -1.02 1.01 -1.26 -1.13 121.20 119.38 2j1k s ILE 22 Ca -0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 60.65 59.22 2j1k s ILE 22 Cb 0.02 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 2j1k s ILE 22 CO -0.07 -0.05 0.46 -0.89 0.00 0.00 0.00 174.94 174.39 2j1k s THR 23 N -1.62 5.17 -0.37 2.92 2.01 -0.58 -4.44 115.64 118.73 2j1k s THR 23 Ca 0.28 0.87 -0.13 0.00 0.31 0.00 0.00 61.69 63.01 2j1k s THR 23 Cb -0.10 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2j1k s THR 23 CO 0.19 0.26 0.50 0.41 -0.69 0.00 0.00 174.62 175.29 2j1k n THR 24 N 4.13-10.05 0.07 -0.82 -1.04 -1.26 -4.69 114.28 100.63 2j1k n THR 24 Ca -0.07 0.83 0.21 0.00 -2.04 0.00 0.00 64.05 62.98 2j1k n THR 24 Cb 0.51 -6.89 0.74 0.00 -1.82 0.00 0.00 70.33 62.87 2j1k n THR 24 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2j1k h PRO 25 N 1.80 0.00 -3.08 -2.82 0.11 -1.89 -3.44 132.00 122.69 2j1k h PRO 25 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 2j1k h PRO 25 Cb 0.83 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.68 2j1k h PRO 25 CO 0.17 0.00 -0.42 -2.00 -0.21 0.00 0.00 178.00 175.55 2j1k s GLU 26 N -4.69 0.30 -0.05 1.05 2.12 -1.26 -1.97 118.70 114.20 2j1k s GLU 26 Ca -0.04 0.40 -0.20 0.00 0.36 0.00 0.00 54.97 55.49 2j1k s GLU 26 Cb 0.16 0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.70 2j1k s GLU 26 CO 0.58 -0.06 0.44 -2.00 -0.54 0.00 0.00 175.26 173.69 2j1k s GLU 27 N 0.31 0.76 -0.08 4.30 2.12 -1.13 -5.04 118.70 119.93 2j1k s GLU 27 Ca -0.01 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.44 2j1k s GLU 27 Cb -0.03 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 2j1k s GLU 27 CO -0.01 -0.20 -0.23 1.41 -0.54 0.00 0.00 175.26 175.68 2j1k s MET 28 N -1.02 2.79 -0.08 4.30 -2.45 -1.26 -1.85 119.30 119.73 2j1k s MET 28 Ca -0.11 -0.87 0.01 0.00 -1.25 0.00 0.00 55.69 53.48 2j1k s MET 28 Cb -0.03 -2.26 0.02 0.00 1.25 0.00 0.00 34.83 33.80 2j1k s MET 28 CO 0.05 0.31 -0.09 0.42 1.05 0.00 0.00 175.02 176.77 2j1k s ILE 29 N 0.02 0.96 -0.09 10.11 1.01 -0.56 -4.97 121.20 127.68 2j1k s ILE 29 Ca -0.09 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2j1k s ILE 29 Cb -0.15 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 2j1k s ILE 29 CO 0.05 0.33 -0.14 -1.61 0.00 0.00 0.00 174.94 173.57 2j1k s GLU 30 N 1.13 2.95 0.05 2.79 2.02 -1.26 -1.36 118.70 125.03 2j1k s GLU 30 Ca -0.06 -0.71 -0.08 0.00 0.02 0.00 0.00 54.97 54.14 2j1k s GLU 30 Cb -0.14 -2.49 -0.00 0.00 0.10 0.00 0.00 34.13 31.60 2j1k s GLU 30 CO -0.01 0.40 0.17 0.15 0.02 0.00 0.00 175.26 175.98 2j1k s LYS 31 N -0.14 0.71 0.38 1.61 -0.14 -0.37 -4.97 119.74 116.82 2j1k s LYS 31 Ca -0.01 -0.77 -0.15 0.00 -1.36 0.00 0.00 55.97 53.69 2j1k s LYS 31 Cb -0.14 0.29 -0.08 0.00 -1.68 0.00 0.00 37.83 36.22 2j1k s LYS 31 CO 0.03 -0.21 0.80 0.00 -0.76 0.00 0.00 175.35 175.22 2j1k s ALA 32 N -2.98 3.26 0.30 5.17 0.00 -1.26 -0.98 121.76 125.26 2j1k s ALA 32 Ca -0.02 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2j1k s ALA 32 Cb 0.01 -2.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.16 2j1k s ALA 32 CO -0.06 0.14 1.45 1.17 0.00 0.00 0.00 175.76 178.45 2j1k n LYS 33 N -0.81 2.35 0.00 0.00 4.81 0.11 -1.92 118.16 122.70 2j1k n LYS 33 Ca 0.04 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2j1k n LYS 33 Cb 0.54 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.07 2j1k n LYS 33 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2j1k n GLY 34 N 1.57 2.85 3.92 3.14 0.00 0.12 -4.88 105.19 111.91 2j1k n GLY 34 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.44 0.95 -0.15 1.61 2.02 -0.81 -3.99 118.70 117.89 2j1k s GLU 35 Ca 0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 2j1k s GLU 35 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 2j1k s GLU 35 CO 0.00 -2.23 -0.14 0.95 0.02 0.00 0.00 175.26 173.87 2j1k s THR 36 N -3.81 2.85 -0.04 3.63 -4.23 -1.26 -0.64 115.64 112.13 2j1k s THR 36 Ca 0.71 -0.71 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 2j1k s THR 36 Cb -0.06 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2j1k s THR 36 CO 0.52 0.51 0.76 0.00 -0.54 0.00 0.00 174.62 175.87 2j1k s ALA 37 N 0.70 3.31 -0.41 3.99 0.00 -0.24 -4.91 121.76 124.21 2j1k s ALA 37 Ca -0.06 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 2j1k s ALA 37 Cb -0.15 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.95 2j1k s ALA 37 CO 0.02 -0.11 0.39 -0.47 0.00 0.00 0.00 175.76 175.59 2j1k s TYR 38 N 0.75 3.19 -0.45 0.00 5.04 -1.26 -0.92 117.35 123.70 2j1k s TYR 38 Ca 0.40 -0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 54.51 2j1k s TYR 38 Cb -0.19 -2.79 0.07 0.00 0.35 0.00 0.00 41.96 39.40 2j1k s TYR 38 CO 0.20 -0.64 0.35 -0.51 -1.34 0.00 0.00 175.55 173.61 2j1k s LEU 39 N 2.01 5.45 0.29 6.97 1.43 0.10 -5.00 118.68 129.94 2j1k s LEU 39 Ca 0.10 -1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 51.56 2j1k s LEU 39 Cb -0.17 -2.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 2j1k s LEU 39 CO 0.12 -0.60 1.09 -2.16 0.23 0.00 0.00 176.35 175.03 2j1k s PRO 40 N 1.58 4.58 -0.42 1.29 0.04 -1.26 -1.80 135.00 139.00 2j1k s PRO 40 Ca 0.04 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2j1k s PRO 40 Cb -0.24 -3.11 0.17 0.00 0.04 0.00 0.00 34.50 31.37 2j1k s PRO 40 CO 0.05 0.17 0.53 0.00 0.04 0.00 0.00 177.00 177.79 2j1k s LYS 42 N 1.21 3.36 0.11 0.00 1.02 -1.26 -0.06 119.74 124.11 2j1k s LYS 42 Ca 0.22 -0.27 0.04 0.00 0.02 0.00 0.00 55.97 55.99 2j1k s LYS 42 Cb -0.06 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2j1k s LYS 42 CO -0.06 0.67 -0.11 -0.59 -0.92 0.00 0.00 175.35 174.33 2j1k s PHE 43 N -0.75 1.18 -0.08 3.18 -0.12 -0.07 -1.53 117.98 119.79 2j1k s PHE 43 Ca 0.13 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.43 2j1k s PHE 43 Cb -0.12 -0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2j1k s PHE 43 CO 0.03 0.05 -0.23 0.99 -0.05 0.00 0.00 175.22 176.01 2j1k s THR 44 N -2.33 2.23 0.20 -4.49 2.01 -0.28 -4.42 115.64 108.56 2j1k s THR 44 Ca 0.07 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 2j1k s THR 44 Cb -0.04 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 2j1k s THR 44 CO 0.01 0.56 0.43 -0.76 -0.69 0.00 0.00 174.62 174.18 2j1k s LEU 45 N 0.09 4.20 0.19 4.42 1.43 -1.26 -2.59 118.68 125.15 2j1k s LEU 45 Ca -0.10 0.58 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 2j1k s LEU 45 Cb -0.16 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2j1k s LEU 45 CO 0.06 -0.04 0.18 -0.55 0.23 0.00 0.00 176.35 176.22 2j1k s SER 46 N -2.82 5.63 0.47 2.29 0.15 -1.26 -3.82 113.70 114.34 2j1k s SER 46 Ca 0.41 -0.13 0.25 0.00 0.70 0.00 0.00 55.95 57.19 2j1k s SER 46 Cb -0.11 -1.49 1.29 0.00 -1.71 0.00 0.00 66.02 63.99 2j1k s SER 46 CO 0.27 0.03 1.84 -0.65 1.20 0.00 0.00 173.24 175.93 2j1k h PRO 47 N 2.07 0.20 0.00 5.44 0.11 -1.90 -1.79 132.00 136.13 2j1k h PRO 47 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2j1k h PRO 47 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2j1k h PRO 47 CO 0.63 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 179.60 2j1k h GLU 48 N 0.21 0.00 -5.06 1.05 4.11 -1.93 -3.40 114.58 109.56 2j1k h GLU 48 Ca 0.50 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 59.34 2j1k h GLU 48 Cb 1.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 2j1k h GLU 48 CO -0.12 0.00 2.14 -0.25 0.07 0.00 0.00 179.01 180.85 2j1k n ASP 49 N -2.72 3.72 -0.48 3.06 8.00 -0.68 -4.18 116.55 123.27 2j1k n ASP 49 Ca 0.03 -2.80 0.12 0.00 0.71 0.00 0.00 54.79 52.85 2j1k n ASP 49 Cb 0.38 -1.60 0.13 0.00 -0.02 0.00 0.00 41.12 40.01 2j1k n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j1k n GLN 50 N 7.57 1.26 -1.32 -1.24 6.02 -0.75 -4.81 117.38 124.11 2j1k n GLN 50 Ca 0.49 -0.97 -0.30 0.00 -0.01 0.00 0.00 57.00 56.21 2j1k n GLN 50 Cb 0.43 -1.48 0.22 0.00 1.02 0.00 0.00 30.24 30.43 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 -2.41 1.63 0.31 1.08 0.00 0.38 -4.90 107.32 103.42 2j1k s GLY 51 Ca 0.22 -0.97 -0.28 0.00 0.00 0.00 0.00 44.72 43.69 2j1k s GLY 51 CO 0.52 -0.14 1.02 2.56 0.00 0.00 0.00 173.10 177.05 2j1k s PRO 52 N -5.51 4.58 -0.00 2.90 0.04 -1.26 -4.45 135.00 131.29 2j1k s PRO 52 Ca 0.71 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2j1k s PRO 52 Cb -0.09 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 2j1k s PRO 52 CO 0.55 0.22 1.46 -1.17 0.04 0.00 0.00 177.00 178.11 2j1k s LEU 53 N -1.78 4.32 -0.35 -3.56 2.96 -1.26 -4.32 118.68 114.69 2j1k s LEU 53 Ca 0.48 2.16 -0.00 0.00 -0.22 0.00 0.00 54.13 56.55 2j1k s LEU 53 Cb -0.25 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.01 2j1k s LEU 53 CO 0.32 -0.77 0.20 -0.62 -1.32 0.00 0.00 176.35 174.16 2j1k s ASP 54 N 2.12 3.19 -0.03 3.68 2.15 0.52 -4.35 116.67 123.94 2j1k s ASP 54 Ca 0.66 -2.08 -0.00 0.00 0.43 0.00 0.00 52.55 51.56 2j1k s ASP 54 Cb -0.32 -0.49 -0.04 0.00 -0.30 0.00 0.00 42.92 41.77 2j1k s ASP 54 CO 0.27 -0.33 0.02 -0.63 -0.17 0.00 0.00 175.17 174.33 2j1k s ILE 55 N 1.16 4.36 0.03 4.11 -1.09 0.23 -0.88 121.20 129.12 2j1k s ILE 55 Ca 0.16 -0.42 -0.06 0.00 -2.23 0.00 0.00 60.65 58.10 2j1k s ILE 55 Cb -0.22 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2j1k s ILE 55 CO -0.06 0.46 0.12 -1.83 -1.23 0.00 0.00 174.94 172.40 2j1k s GLU 56 N -1.34 0.58 0.04 2.79 -1.05 -0.70 -0.72 118.70 118.31 2j1k s GLU 56 Ca 0.18 -0.66 0.06 0.00 -0.15 0.00 0.00 54.97 54.40 2j1k s GLU 56 Cb -0.12 0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.77 2j1k s GLU 56 CO 0.08 -0.15 -0.15 -1.58 0.95 0.00 0.00 175.26 174.41 2j1k s TRP 57 N -2.34 2.64 0.05 4.83 0.52 -0.43 -0.92 118.94 123.29 2j1k s TRP 57 Ca -0.07 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 55.89 2j1k s TRP 57 Cb -0.03 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 2j1k s TRP 57 CO -0.03 0.30 -0.13 -0.51 0.02 0.00 0.00 176.95 176.60 2j1k s LEU 58 N -1.54 2.21 -0.08 2.99 1.43 -0.03 -1.51 118.68 122.15 2j1k s LEU 58 Ca 0.16 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2j1k s LEU 58 Cb -0.11 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 2j1k s LEU 58 CO 0.07 -0.03 -0.22 -0.51 0.23 0.00 0.00 176.35 175.89 2j1k s ILE 59 N -1.04 2.29 -0.46 -0.59 2.07 0.29 -0.71 121.20 123.05 2j1k s ILE 59 Ca -0.01 -0.97 -0.05 0.00 -1.41 0.00 0.00 60.65 58.22 2j1k s ILE 59 Cb -0.09 -1.87 0.12 0.00 0.13 0.00 0.00 42.46 40.76 2j1k s ILE 59 CO 0.01 0.56 0.28 -0.44 -1.91 0.00 0.00 174.94 173.45 2j1k s SER 60 N -0.03 5.40 0.32 4.50 0.01 0.09 -1.11 113.70 122.89 2j1k s SER 60 Ca -0.07 -2.11 -0.27 0.00 1.31 0.00 0.00 55.95 54.81 2j1k s SER 60 Cb -0.15 -1.89 -0.09 0.00 0.21 0.00 0.00 66.02 64.10 2j1k s SER 60 CO 0.05 -0.57 1.02 -2.16 0.41 0.00 0.00 173.24 171.99 2j1k s PRO 61 N 1.04 4.53 0.34 12.44 0.04 -1.26 -1.13 135.00 151.01 2j1k s PRO 61 Ca 0.09 1.55 0.05 0.00 0.04 0.00 0.00 61.00 62.72 2j1k s PRO 61 Cb -0.23 -2.93 0.63 0.00 0.04 0.00 0.00 34.50 32.00 2j1k s PRO 61 CO -0.03 0.19 1.89 0.00 0.04 0.00 0.00 177.00 179.09 2j1k h ALA 62 N 3.35 1.41 -0.65 8.56 0.00 -1.56 -3.26 119.26 127.10 2j1k h ALA 62 Ca -0.47 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.32 2j1k h ALA 62 Cb 1.21 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2j1k h ALA 62 CO 0.65 0.42 -0.42 -0.44 0.00 0.00 0.00 179.25 179.46 2j1k h ASP 63 N 0.51 -1.53 -2.84 0.00 3.32 -1.88 -3.46 116.42 110.55 2j1k h ASP 63 Ca 0.11 0.23 -0.54 0.00 0.02 0.00 0.00 57.03 56.85 2j1k h ASP 63 Cb 0.28 0.67 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 2j1k h ASP 63 CO 0.01 -0.19 -0.56 0.54 -1.72 0.00 0.00 179.24 177.32 2j1k s ASN 64 N -4.73 2.79 0.50 6.45 2.20 -1.23 -5.04 114.94 115.87 2j1k s ASN 64 Ca -0.09 -1.54 0.25 0.00 -0.94 0.00 0.00 52.86 50.54 2j1k s ASN 64 Cb 0.08 0.24 1.33 0.00 -2.00 0.00 0.00 41.25 40.89 2j1k s ASN 64 CO 0.45 -0.78 2.03 1.56 -2.94 0.00 0.00 177.10 177.42 2j1k h GLN 65 N 1.88 0.00 -7.20 3.55 1.08 -1.90 -3.44 115.11 109.08 2j1k h GLN 65 Ca -0.39 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.30 2j1k h GLN 65 Cb 1.26 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.81 2j1k h GLN 65 CO 0.65 0.15 0.37 -1.59 -0.95 0.00 0.00 178.83 177.45 2j1k s LYS 66 N -4.18 2.60 0.02 1.46 -2.85 -1.26 -5.04 119.74 110.48 2j1k s LYS 66 Ca -0.03 1.45 -0.10 0.00 -1.00 0.00 0.00 55.97 56.29 2j1k s LYS 66 Cb 0.13 -1.92 0.01 0.00 -2.06 0.00 0.00 37.83 33.99 2j1k s LYS 66 CO 0.61 -1.42 0.21 0.08 0.10 0.00 0.00 175.35 174.93 2j1k s VAL 67 N -2.32 0.09 -1.30 1.79 1.01 -1.26 -4.10 120.40 114.31 2j1k s VAL 67 Ca 0.68 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2j1k s VAL 67 Cb -0.22 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 2j1k s VAL 67 CO 0.43 -0.40 0.61 0.47 0.00 0.00 0.00 175.10 176.21 2j1k n ASP 68 N 1.02 -1.96 -4.57 3.32 8.00 -1.17 -4.91 116.55 116.28 2j1k n ASP 68 Ca -0.21 -0.95 -0.40 0.00 0.71 0.00 0.00 54.79 53.95 2j1k n ASP 68 Cb 0.57 -3.47 -0.10 0.00 -0.02 0.00 0.00 41.12 38.10 2j1k n ASP 68 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2j1k s GLN 69 N -6.19 3.78 0.20 -1.24 -1.52 -0.27 -4.84 119.66 109.58 2j1k s GLN 69 Ca 0.13 -0.29 -0.32 0.00 -1.95 0.00 0.00 55.36 52.93 2j1k s GLN 69 Cb -0.05 -3.73 -0.15 0.00 -0.22 0.00 0.00 33.01 28.87 2j1k s GLN 69 CO 0.86 -0.36 1.16 1.33 -0.25 0.00 0.00 175.29 178.02 2j1k n VAL 70 N 5.15 1.12 -0.03 1.09 0.24 -1.26 -0.55 118.33 124.08 2j1k n VAL 70 Ca -0.11 -0.28 -0.03 0.00 -2.04 0.00 0.00 64.34 61.88 2j1k n VAL 70 Cb 0.50 -0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 31.89 2j1k n VAL 70 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2j1k n ILE 71 N 1.30 0.38 -3.56 1.34 -5.35 -0.57 -4.05 119.36 108.85 2j1k n ILE 71 Ca 0.14 -0.22 -0.17 0.00 -0.27 0.00 0.00 62.75 62.23 2j1k n ILE 71 Cb 0.27 -0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 37.27 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 -2.13 0.00 0.01 7.28 2.07 -1.24 -4.52 121.20 122.67 2j1k s ILE 72 Ca -0.04 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 2j1k s ILE 72 Cb 0.02 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 41.62 2j1k s ILE 72 CO 0.21 -0.01 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.37 2j1k s LEU 73 N -0.81 2.09 -0.19 8.50 1.43 0.08 -1.31 118.68 128.48 2j1k s LEU 73 Ca -0.08 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2j1k s LEU 73 Cb -0.01 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.81 2j1k s LEU 73 CO 0.08 0.04 -0.08 -0.47 0.23 0.00 0.00 176.35 176.14 2j1k s TYR 74 N -0.55 2.18 -0.11 0.29 5.04 0.10 -1.06 117.35 123.23 2j1k s TYR 74 Ca 0.01 -1.43 -0.20 0.00 -2.44 0.00 0.00 57.07 53.00 2j1k s TYR 74 Cb -0.05 -1.53 0.05 0.00 0.35 0.00 0.00 41.96 40.78 2j1k s TYR 74 CO 0.00 -0.70 0.51 -1.54 -1.34 0.00 0.00 175.55 172.47 2j1k s SER 75 N 1.48 -0.48 -1.56 4.32 1.04 -0.92 -0.60 113.70 116.97 2j1k s SER 75 Ca -0.01 0.71 -0.04 0.00 0.48 0.00 0.00 55.95 57.10 2j1k s SER 75 Cb -0.16 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2j1k s SER 75 CO -0.08 -0.36 0.52 0.61 0.98 0.00 0.00 173.24 174.91 2j1k n GLY 76 N 1.92 -0.49 2.38 7.32 0.00 -1.26 -1.89 105.19 113.17 2j1k n GLY 76 Ca -0.17 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 2j1k n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2j1k n ASP 77 N -2.36 -4.84 -4.18 1.61 4.64 -1.26 -4.98 116.55 105.18 2j1k n ASP 77 Ca -0.13 0.22 -0.25 0.00 -1.38 0.00 0.00 54.79 53.25 2j1k n ASP 77 Cb 0.63 -4.17 -0.15 0.00 -1.04 0.00 0.00 41.12 36.39 2j1k n ASP 77 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2j1k s LYS 78 N -4.40 1.37 -0.07 -0.67 1.02 -0.79 -5.14 119.74 111.07 2j1k s LYS 78 Ca 0.00 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.12 2j1k s LYS 78 Cb 0.00 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.90 2j1k s LYS 78 CO 0.00 0.37 0.41 0.42 -0.92 0.00 0.00 175.35 175.62 2j1k s ILE 79 N -0.54 5.13 -0.11 2.17 1.01 -1.26 -2.17 121.20 125.43 2j1k s ILE 79 Ca 0.06 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.56 2j1k s ILE 79 Cb -0.07 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2j1k s ILE 79 CO 0.00 0.46 -0.17 -0.31 0.00 0.00 0.00 174.94 174.92 2j1k s TYR 80 N -0.23 2.14 -0.00 3.97 2.02 -0.23 -5.00 117.35 120.02 2j1k s TYR 80 Ca 0.23 -1.01 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2j1k s TYR 80 Cb -0.15 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2j1k s TYR 80 CO 0.11 -0.49 0.75 -0.40 -1.57 0.00 0.00 175.55 173.95 2j1k n ASP 81 N 4.10 0.12 -3.47 2.29 5.75 -1.26 -0.74 116.55 123.34 2j1k n ASP 81 Ca -0.19 -1.53 -0.39 0.00 -0.01 0.00 0.00 54.79 52.67 2j1k n ASP 81 Cb 0.51 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.05 6.93 -0.05 -1.12 2.03 -1.26 -4.65 116.55 118.37 2j1k n ASP 82 Ca 0.00 -3.70 -0.12 0.00 0.52 0.00 0.00 54.79 51.49 2j1k n ASP 82 Cb 0.58 -1.06 -0.04 0.00 -0.72 0.00 0.00 41.12 39.88 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 -0.13 0.00 -3.59 -0.67 4.01 -1.26 -4.96 117.16 110.56 2j1k n TYR 83 Ca 0.45 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.79 2j1k n TYR 83 Cb 0.28 -0.40 -0.09 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.21 3.46 0.30 -0.72 5.04 -1.26 -4.99 117.35 116.97 2j1k s TYR 84 Ca -0.16 -1.97 0.06 0.00 -2.44 0.00 0.00 57.07 52.56 2j1k s TYR 84 Cb 0.06 -3.45 0.77 0.00 0.35 0.00 0.00 41.96 39.68 2j1k s TYR 84 CO 0.20 -0.99 1.75 -1.35 -1.34 0.00 0.00 175.55 173.82 2j1k h PRO 85 N 8.38 0.64 0.00 4.97 0.11 -1.95 -0.66 132.00 143.49 2j1k h PRO 85 Ca -0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2j1k h PRO 85 Cb 1.07 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2j1k h PRO 85 CO 0.83 0.42 0.00 -0.44 -0.21 0.00 0.00 178.00 178.61 2j1k h ASP 86 N 0.66 0.00 -0.38 -2.05 3.32 -2.02 -2.57 116.42 113.39 2j1k h ASP 86 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 2j1k h ASP 86 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2j1k h ASP 86 CO -0.43 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.27 2j1k n LEU 87 N -2.88 4.37 -4.68 1.55 4.77 -0.26 -5.00 117.00 114.86 2j1k n LEU 87 Ca 0.00 -2.88 -0.42 0.00 -0.03 0.00 0.00 56.01 52.68 2j1k n LEU 87 Cb 0.23 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2j1k n LEU 87 CO 0.23 0.68 1.47 -0.75 -1.33 0.00 0.00 177.39 177.69 2j1k s LYS 88 N -2.60 4.15 0.00 3.23 2.20 -0.97 -1.41 119.74 124.34 2j1k s LYS 88 Ca 0.45 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 2j1k s LYS 88 Cb 0.34 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2j1k s LYS 88 CO 0.12 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2j1k n GLY 89 N 4.24 0.36 0.00 5.54 0.00 -1.26 -4.87 105.19 109.21 2j1k n GLY 89 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.84 0.51 -4.60 1.61 1.74 -0.50 -4.96 116.66 108.63 2j1k n ARG 90 Ca 0.00 -0.78 -0.30 0.00 -0.77 0.00 0.00 57.85 55.99 2j1k n ARG 90 Cb 0.14 -0.91 -0.17 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.33 1.78 -0.00 1.55 1.01 -1.23 -0.91 120.40 122.26 2j1k s VAL 91 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2j1k s VAL 91 Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 2j1k s VAL 91 CO 0.00 0.50 0.08 -1.00 0.00 0.00 0.00 175.10 174.68 2j1k s HIS 92 N 0.87 0.07 0.22 5.22 3.76 -1.03 -5.03 115.29 119.37 2j1k s HIS 92 Ca -0.08 -0.15 -0.30 0.00 -0.15 0.00 0.00 55.06 54.39 2j1k s HIS 92 Cb -0.15 -0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.38 2j1k s HIS 92 CO -0.01 -0.21 1.31 -0.06 -0.85 0.00 0.00 174.74 174.92 2j1k s PHE 93 N -1.08 3.24 0.03 1.40 0.08 -1.26 -1.41 117.98 118.97 2j1k s PHE 93 Ca -0.12 1.25 0.02 0.00 0.12 0.00 0.00 56.93 58.21 2j1k s PHE 93 Cb -0.07 -3.61 -0.25 0.00 -0.57 0.00 0.00 43.02 38.52 2j1k s PHE 93 CO 0.01 -1.86 0.94 1.79 -0.10 0.00 0.00 175.22 175.99 2j1k h THR 94 N 3.63 1.25 -3.91 0.64 1.35 -1.70 -3.47 112.91 110.70 2j1k h THR 94 Ca -0.45 -2.94 -0.46 0.00 -0.55 0.00 0.00 66.41 62.00 2j1k h THR 94 Cb 1.22 2.73 -0.02 0.00 -1.73 0.00 0.00 68.15 70.34 2j1k h THR 94 CO 0.75 0.80 0.33 -0.55 -0.25 0.00 0.00 175.52 176.60 2j1k s SER 95 N -6.76 7.21 0.01 5.36 0.15 -1.26 -4.98 113.70 113.42 2j1k s SER 95 Ca -0.06 1.76 -0.18 0.00 0.70 0.00 0.00 55.95 58.18 2j1k s SER 95 Cb 0.08 -2.56 -0.32 0.00 -1.71 0.00 0.00 66.02 61.51 2j1k s SER 95 CO 0.84 -0.14 1.00 -0.55 1.20 0.00 0.00 173.24 175.58 2j1k h ASN 96 N 2.83 0.70 -3.32 5.45 7.08 -1.94 -3.40 115.58 122.98 2j1k h ASN 96 Ca -0.47 -0.90 -0.75 0.00 -3.08 0.00 0.00 56.30 51.10 2j1k h ASN 96 Cb 1.19 -0.22 -0.32 0.00 -2.08 0.00 0.00 38.32 36.88 2j1k h ASN 96 CO 0.64 1.54 0.19 -0.67 -2.08 0.00 0.00 177.43 177.04 2j1k n ASP 97 N -3.92 4.92 -0.08 6.14 2.03 -1.26 -4.88 116.55 119.49 2j1k n ASP 97 Ca -0.15 -3.14 -0.08 0.00 0.52 0.00 0.00 54.79 51.95 2j1k n ASP 97 Cb 0.94 -1.18 0.08 0.00 -0.72 0.00 0.00 41.12 40.24 2j1k n ASP 97 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2j1k h LEU 98 N 6.11 0.79 0.00 -2.67 6.46 -1.79 -3.12 115.31 121.09 2j1k h LEU 98 Ca 0.17 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2j1k h LEU 98 Cb 0.81 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 2j1k h LEU 98 CO 0.97 1.01 0.00 2.29 -0.62 0.00 0.00 178.44 182.08 2j1k n LYS 99 N -4.10 0.14 -0.54 1.25 2.85 -1.26 -2.23 118.16 114.28 2j1k n LYS 99 Ca -0.00 0.18 0.07 0.00 -1.05 0.00 0.00 58.31 57.51 2j1k n LYS 99 Cb 0.45 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.62 2j1k n LYS 99 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2j1k n SER 100 N -1.35 4.05 0.00 -5.58 7.64 -1.18 -4.90 113.62 112.30 2j1k n SER 100 Ca 0.06 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.50 2j1k n SER 100 Cb 0.13 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 0.85 1.87 2.57 0.23 0.00 -0.95 -4.99 105.19 104.78 2j1k n GLY 101 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 3.43 -0.26 1.61 2.15 -1.05 -0.89 116.67 119.66 2j1k s ASP 102 Ca 0.00 -1.90 0.11 0.00 0.43 0.00 0.00 52.55 51.18 2j1k s ASP 102 Cb 0.00 -0.57 0.72 0.00 -0.30 0.00 0.00 42.92 42.77 2j1k s ASP 102 CO 0.00 -0.36 1.69 0.00 -0.17 0.00 0.00 175.17 176.33 2j1k n ALA 103 N 4.45 4.16 -1.76 3.66 0.00 0.91 -4.50 120.51 127.43 2j1k n ALA 103 Ca 0.04 -1.97 -0.36 0.00 0.00 0.00 0.00 53.44 51.15 2j1k n ALA 103 Cb 0.39 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.80 5.46 0.18 0.00 0.01 -1.16 -4.58 113.70 112.81 2j1k s SER 104 Ca 0.50 2.39 0.07 0.00 1.31 0.00 0.00 55.95 60.23 2j1k s SER 104 Cb 0.39 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2j1k s SER 104 CO 0.13 -1.41 -0.15 0.27 0.41 0.00 0.00 173.24 172.49 2j1k s ILE 105 N -1.57 1.67 0.10 1.44 -4.36 -0.75 -1.87 121.20 115.86 2j1k s ILE 105 Ca 0.73 -2.08 0.06 0.00 -0.26 0.00 0.00 60.65 59.11 2j1k s ILE 105 Cb -0.30 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 2j1k s ILE 105 CO 0.34 -0.52 -0.06 0.54 0.24 0.00 0.00 174.94 175.48 2j1k s ASN 106 N -3.06 4.63 -0.28 4.36 6.03 -0.50 0.02 114.94 126.15 2j1k s ASN 106 Ca 0.19 -0.30 -0.01 0.00 -1.03 0.00 0.00 52.86 51.70 2j1k s ASN 106 Cb -0.02 -0.98 0.04 0.00 -3.03 0.00 0.00 41.25 37.27 2j1k s ASN 106 CO 0.06 0.18 -0.03 -0.69 -2.03 0.00 0.00 177.10 174.59 2j1k s VAL 107 N -1.24 2.89 0.42 3.54 1.01 -0.09 -2.45 120.40 124.47 2j1k s VAL 107 Ca 0.23 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 2j1k s VAL 107 Cb -0.11 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2j1k s VAL 107 CO 0.15 -0.00 0.67 0.42 0.00 0.00 0.00 175.10 176.34 2j1k s THR 108 N 1.27 4.81 -1.23 3.92 -4.23 -0.09 -1.07 115.64 119.02 2j1k s THR 108 Ca -0.04 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.19 2j1k s THR 108 Cb -0.19 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.85 2j1k s THR 108 CO -0.02 -0.63 0.73 -3.20 -0.54 0.00 0.00 174.62 170.96 2j1k n ASN 109 N -2.04 -3.17 -4.69 3.99 2.85 -1.10 -4.81 115.26 106.28 2j1k n ASN 109 Ca -0.02 -0.89 -0.44 0.00 -0.11 0.00 0.00 54.58 53.13 2j1k n ASN 109 Cb 0.56 -3.91 -0.03 0.00 1.24 0.00 0.00 39.78 37.64 2j1k n ASN 109 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2j1k n LEU 110 N -4.11 3.48 -4.53 1.20 4.77 0.18 -4.57 117.00 113.43 2j1k n LEU 110 Ca -0.20 1.13 -0.24 0.00 -0.03 0.00 0.00 56.01 56.66 2j1k n LEU 110 Cb 0.64 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.16 2j1k n LEU 110 CO 0.67 -0.25 -0.42 -1.10 -1.33 0.00 0.00 177.39 174.96 2j1k s GLN 111 N -0.14 1.83 0.56 3.23 -0.21 -1.26 -0.71 119.66 122.96 2j1k s GLN 111 Ca 0.69 -1.77 0.31 0.00 0.02 0.00 0.00 55.36 54.61 2j1k s GLN 111 Cb -0.61 -1.82 1.65 0.00 1.00 0.00 0.00 33.01 33.24 2j1k s GLN 111 CO 0.47 0.27 2.14 -0.07 -2.12 0.00 0.00 175.29 175.97 2j1k h LEU 112 N 2.11 0.00 -0.44 2.90 3.38 -1.95 -1.20 115.31 120.11 2j1k h LEU 112 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2j1k h LEU 112 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2j1k h LEU 112 CO 0.63 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.69 2j1k n SER 113 N -3.57 0.74 0.00 -0.43 3.41 -1.26 -2.79 113.62 109.71 2j1k n SER 113 Ca -0.02 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 2j1k n SER 113 Cb 0.19 -0.81 0.51 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.26 0.00 -4.69 4.04 8.00 -0.45 -4.81 116.55 116.38 2j1k n ASP 114 Ca 0.03 0.49 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 2j1k n ASP 114 Cb 0.31 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.99 2.80 -2.68 0.53 1.01 -1.12 -4.87 121.20 113.87 2j1k s ILE 115 Ca 0.12 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2j1k s ILE 115 Cb 0.16 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2j1k s ILE 115 CO 0.43 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2j1k n GLY 116 N 4.14 -1.90 3.71 6.18 0.00 -1.15 -1.41 105.19 114.76 2j1k n GLY 116 Ca 0.17 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.25 5.31 -0.14 2.61 2.01 -0.28 -1.39 115.64 121.50 2j1k s THR 117 Ca 0.00 0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 2j1k s THR 117 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2j1k s THR 117 CO 0.00 0.37 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.95 2j1k s TYR 118 N 0.65 3.02 -0.11 4.92 2.02 0.12 -0.73 117.35 127.25 2j1k s TYR 118 Ca 0.15 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 2j1k s TYR 118 Cb -0.13 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2j1k s TYR 118 CO 0.04 0.02 -0.22 -1.14 -1.57 0.00 0.00 175.55 172.67 2j1k s GLN 119 N 0.19 2.92 -0.37 -0.62 0.74 0.11 0.47 119.66 123.11 2j1k s GLN 119 Ca -0.02 -0.83 -0.12 0.00 0.05 0.00 0.00 55.36 54.44 2j1k s GLN 119 Cb -0.14 -2.25 0.01 0.00 1.10 0.00 0.00 33.01 31.73 2j1k s GLN 119 CO 0.03 0.12 0.23 0.00 -0.55 0.00 0.00 175.29 175.12 2j1k s LYS 121 N 1.64 3.81 -0.19 0.00 1.02 -0.10 -1.54 119.74 124.38 2j1k s LYS 121 Ca 0.04 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.61 2j1k s LYS 121 Cb -0.18 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2j1k s LYS 121 CO 0.08 -0.01 -0.14 0.08 -0.92 0.00 0.00 175.35 174.45 2j1k s VAL 122 N 1.16 2.61 -0.07 3.17 1.01 -0.08 -1.72 120.40 126.49 2j1k s VAL 122 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 2j1k s VAL 122 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2j1k s VAL 122 CO 0.04 0.49 -0.21 -0.54 0.00 0.00 0.00 175.10 174.88 2j1k s LYS 123 N 1.28 2.71 -0.35 2.72 1.02 -0.06 -1.42 119.74 125.64 2j1k s LYS 123 Ca 0.04 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 55.23 2j1k s LYS 123 Cb -0.14 -2.28 0.16 0.00 -0.52 0.00 0.00 37.83 35.05 2j1k s LYS 123 CO -0.08 0.38 0.43 0.21 -0.92 0.00 0.00 175.35 175.38 2j1k s LYS 124 N -0.15 0.58 0.38 1.68 2.20 -0.69 -0.36 119.74 123.39 2j1k s LYS 124 Ca -0.03 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 2j1k s LYS 124 Cb -0.14 -0.42 -0.11 0.00 -1.51 0.00 0.00 37.83 35.65 2j1k s LYS 124 CO 0.04 -1.13 1.47 0.00 -0.36 0.00 0.00 175.35 175.37 2j1k n ALA 125 N 4.71 2.29 1.98 3.13 0.00 -1.26 -0.97 120.51 130.38 2j1k n ALA 125 Ca 0.07 0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.96 2j1k n ALA 125 Cb 0.49 -2.41 0.64 0.00 0.00 0.00 0.00 19.45 18.17 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 0.42 1.03 -2.27 0.00 -0.04 -1.26 -0.47 135.00 132.41 2j1k n PRO 126 Ca 0.02 -0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.03 2j1k n PRO 126 Cb 0.39 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.69 3.03 -0.09 0.55 0.00 -0.14 -5.05 107.32 103.93 2j1k s GLY 127 Ca 0.33 1.10 -0.08 0.00 0.00 0.00 0.00 44.72 46.08 2j1k s GLY 127 CO 0.25 1.73 0.23 0.14 0.00 0.00 0.00 173.10 175.45 2j1k s VAL 128 N -1.16 -0.00 -0.02 1.40 1.01 -1.26 -1.70 120.40 118.67 2j1k s VAL 128 Ca 0.47 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2j1k s VAL 128 Cb -0.36 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2j1k s VAL 128 CO 0.48 0.01 0.29 0.00 0.00 0.00 0.00 175.10 175.87 2j1k s ALA 129 N 0.22 -0.72 0.16 5.51 0.00 -0.51 -4.79 121.76 121.63 2j1k s ALA 129 Ca -0.01 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 2j1k s ALA 129 Cb -0.02 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2j1k s ALA 129 CO -0.00 -0.25 0.08 0.54 0.00 0.00 0.00 175.76 176.13 2j1k s ASN 130 N -1.27 0.30 -0.00 0.00 2.20 -1.26 -0.90 114.94 114.01 2j1k s ASN 130 Ca -0.13 -1.27 -0.14 0.00 -0.94 0.00 0.00 52.86 50.38 2j1k s ASN 130 Cb -0.05 0.32 0.02 0.00 -2.00 0.00 0.00 41.25 39.53 2j1k s ASN 130 CO 0.04 -0.76 0.31 -1.59 -2.94 0.00 0.00 177.10 172.15 2j1k s LYS 131 N -4.08 0.70 -0.03 3.55 -2.85 -0.59 -4.85 119.74 111.59 2j1k s LYS 131 Ca 0.29 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 55.04 2j1k s LYS 131 Cb 0.07 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 2j1k s LYS 131 CO 0.05 -0.20 -0.15 0.15 0.10 0.00 0.00 175.35 175.31 2j1k s LYS 132 N -1.61 2.44 -0.11 1.78 1.02 -0.83 -0.67 119.74 121.76 2j1k s LYS 132 Ca -0.12 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.14 2j1k s LYS 132 Cb -0.04 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2j1k s LYS 132 CO 0.03 0.61 -0.13 0.42 -0.92 0.00 0.00 175.35 175.36 2j1k s ILE 133 N -0.77 1.31 -0.47 2.17 1.01 0.18 -2.84 121.20 121.78 2j1k s ILE 133 Ca 0.12 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 2j1k s ILE 133 Cb -0.11 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.17 2j1k s ILE 133 CO 0.01 0.41 0.71 -1.00 0.00 0.00 0.00 174.94 175.07 2j1k s HIS 134 N 1.17 3.00 -0.00 3.97 3.76 -0.77 0.15 115.29 126.58 2j1k s HIS 134 Ca -0.04 -0.12 -0.15 0.00 -0.15 0.00 0.00 55.06 54.60 2j1k s HIS 134 Cb -0.14 -3.57 -0.06 0.00 1.11 0.00 0.00 32.58 29.93 2j1k s HIS 134 CO -0.03 -1.01 0.40 -1.17 -0.85 0.00 0.00 174.74 172.08 2j1k s LEU 135 N 3.04 4.47 -0.05 0.89 2.96 -0.49 -1.50 118.68 128.01 2j1k s LEU 135 Ca 0.23 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 2j1k s LEU 135 Cb -0.15 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 43.98 2j1k s LEU 135 CO 0.18 0.33 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.75 2j1k s VAL 136 N -1.07 0.94 -0.16 1.68 1.01 -0.46 -2.93 120.40 119.41 2j1k s VAL 136 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2j1k s VAL 136 Cb -0.17 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2j1k s VAL 136 CO 0.13 0.31 -0.07 -0.69 0.00 0.00 0.00 175.10 174.78 2j1k s VAL 137 N 0.60 3.45 -0.08 2.92 1.01 -1.26 -1.24 120.40 125.80 2j1k s VAL 137 Ca -0.11 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2j1k s VAL 137 Cb -0.14 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2j1k s VAL 137 CO 0.02 0.49 -0.12 -0.76 0.00 0.00 0.00 175.10 174.73 2j1k s LEU 138 N 0.65 2.86 0.00 3.92 1.43 -0.15 -4.85 118.68 122.54 2j1k s LEU 138 Ca -0.04 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 2j1k s LEU 138 Cb -0.15 -1.62 0.32 0.00 0.03 0.00 0.00 46.19 44.77 2j1k s LEU 138 CO 0.02 0.28 0.79 0.52 0.23 0.00 0.00 176.35 178.20