#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 0.00 -3.34 0.00 0.11 -1.98 -3.40 114.38 105.77 2j1k h ARG 18 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2j1k h ARG 18 Cb 0.00 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.02 2j1k h ARG 18 CO 0.00 0.41 0.08 -1.54 0.10 0.00 0.00 179.97 179.02 2j1k s SER 19 N -5.98 -0.02 -0.04 0.08 1.04 -1.26 -4.92 113.70 102.60 2j1k s SER 19 Ca -0.03 -0.93 -0.30 0.00 0.48 0.00 0.00 55.95 55.18 2j1k s SER 19 Cb 0.08 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 2j1k s SER 19 CO 0.81 -1.35 1.35 -0.22 0.98 0.00 0.00 173.24 174.81 2j1k s LEU 20 N -3.02 4.29 0.13 2.42 0.20 -1.26 -4.48 118.68 116.97 2j1k s LEU 20 Ca 0.18 1.99 -0.12 0.00 0.69 0.00 0.00 54.13 56.88 2j1k s LEU 20 Cb -0.03 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.18 2j1k s LEU 20 CO 0.10 -0.70 0.31 -0.94 -0.29 0.00 0.00 176.35 174.83 2j1k s SER 21 N 1.87 -0.03 -0.08 3.68 1.04 -1.21 -4.61 113.70 114.35 2j1k s SER 21 Ca 0.61 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2j1k s SER 21 Cb -0.29 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 2j1k s SER 21 CO 0.24 -0.85 -0.13 -0.63 0.98 0.00 0.00 173.24 172.85 2j1k s ILE 22 N -3.88 3.14 -0.12 -1.02 1.01 -1.26 -1.45 121.20 117.62 2j1k s ILE 22 Ca 0.09 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 2j1k s ILE 22 Cb 0.03 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 2j1k s ILE 22 CO -0.07 0.56 1.15 -0.89 0.00 0.00 0.00 174.94 175.69 2j1k s THR 23 N -0.31 4.44 -0.51 2.92 2.01 -0.87 -3.86 115.64 119.46 2j1k s THR 23 Ca 0.03 1.75 -0.00 0.00 0.31 0.00 0.00 61.69 63.77 2j1k s THR 23 Cb -0.13 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2j1k s THR 23 CO 0.03 -0.06 0.49 0.41 -0.69 0.00 0.00 174.62 174.79 2j1k n THR 24 N 4.90 -7.44 0.56 -0.82 -1.04 -1.26 -4.70 114.28 104.48 2j1k n THR 24 Ca 0.11 -0.15 0.06 0.00 -2.04 0.00 0.00 64.05 62.03 2j1k n THR 24 Cb 0.46 -5.91 0.29 0.00 -1.82 0.00 0.00 70.33 63.35 2j1k n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2j1k n PRO 25 N -1.51 0.19 -3.71 -2.82 -0.04 -1.25 -4.52 135.00 121.34 2j1k n PRO 25 Ca 0.00 0.15 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 2j1k n PRO 25 Cb 0.50 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.28 2j1k n PRO 25 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2j1k s GLU 26 N -2.49 -0.05 0.03 0.54 0.41 -1.26 -1.31 118.70 114.56 2j1k s GLU 26 Ca 0.12 0.31 -0.01 0.00 -0.41 0.00 0.00 54.97 54.98 2j1k s GLU 26 Cb 0.08 -0.43 -0.02 0.00 -1.78 0.00 0.00 34.13 31.97 2j1k s GLU 26 CO 0.17 -0.27 -0.02 -2.00 -0.49 0.00 0.00 175.26 172.64 2j1k s GLU 27 N 1.79 0.38 -0.13 1.61 2.12 -0.82 -5.03 118.70 118.62 2j1k s GLU 27 Ca 0.00 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 2j1k s GLU 27 Cb -0.12 0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.44 2j1k s GLU 27 CO -0.03 -0.07 -0.03 -1.64 -0.54 0.00 0.00 175.26 172.96 2j1k s MET 28 N -1.98 1.07 -0.11 4.30 -1.94 -1.26 -1.81 119.30 117.57 2j1k s MET 28 Ca -0.11 -0.26 0.02 0.00 -1.71 0.00 0.00 55.69 53.63 2j1k s MET 28 Cb -0.06 -1.64 -0.01 0.00 2.01 0.00 0.00 34.83 35.13 2j1k s MET 28 CO -0.03 -0.40 -0.19 0.42 -0.01 0.00 0.00 175.02 174.81 2j1k s ILE 29 N 1.79 2.54 -0.10 2.53 1.01 -0.68 -4.98 121.20 123.30 2j1k s ILE 29 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2j1k s ILE 29 Cb -0.14 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 2j1k s ILE 29 CO -0.07 0.55 -0.22 -0.70 0.00 0.00 0.00 174.94 174.50 2j1k s GLU 30 N 0.23 3.08 0.17 2.79 2.12 -1.26 -1.08 118.70 124.75 2j1k s GLU 30 Ca -0.12 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.36 2j1k s GLU 30 Cb -0.16 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 2j1k s GLU 30 CO 0.07 0.21 0.09 0.15 -0.54 0.00 0.00 175.26 175.24 2j1k s LYS 31 N 0.29 1.10 0.11 4.30 -0.14 -0.47 -4.99 119.74 119.95 2j1k s LYS 31 Ca -0.16 -1.56 0.00 0.00 -1.36 0.00 0.00 55.97 52.90 2j1k s LYS 31 Cb -0.17 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.14 2j1k s LYS 31 CO 0.08 -0.32 0.27 0.00 -0.76 0.00 0.00 175.35 174.62 2j1k s ALA 32 N -4.07 3.96 0.41 5.17 0.00 -1.26 -0.43 121.76 125.54 2j1k s ALA 32 Ca 0.32 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 2j1k s ALA 32 Cb 0.07 -1.86 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 2j1k s ALA 32 CO 0.08 0.68 1.28 0.36 0.00 0.00 0.00 175.76 178.16 2j1k n LYS 33 N -0.09 1.97 0.00 0.00 2.85 0.49 -2.15 118.16 121.22 2j1k n LYS 33 Ca -0.05 0.70 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 2j1k n LYS 33 Cb 0.52 -2.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 2j1k n LYS 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2j1k n GLY 34 N 0.80 2.77 3.69 2.58 0.00 0.54 -4.87 105.19 110.69 2j1k n GLY 34 Ca 0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.96 -0.12 1.61 2.02 -0.91 -3.69 118.70 118.56 2j1k s GLU 35 Ca 0.00 0.81 -0.06 0.00 0.02 0.00 0.00 54.97 55.74 2j1k s GLU 35 Cb 0.00 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 2j1k s GLU 35 CO 0.00 -2.44 0.09 0.95 0.02 0.00 0.00 175.26 173.88 2j1k s THR 36 N -2.89 5.08 -0.24 3.63 -4.23 -1.26 -0.08 115.64 115.65 2j1k s THR 36 Ca 0.64 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.11 2j1k s THR 36 Cb -0.19 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 2j1k s THR 36 CO 0.58 0.59 0.13 0.00 -0.54 0.00 0.00 174.62 175.38 2j1k s ALA 37 N -0.75 3.50 -0.40 3.99 0.00 0.53 -4.93 121.76 123.70 2j1k s ALA 37 Ca 0.13 -0.92 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 2j1k s ALA 37 Cb -0.12 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.78 2j1k s ALA 37 CO 0.03 -0.21 0.80 -0.47 0.00 0.00 0.00 175.76 175.90 2j1k s TYR 38 N 1.09 3.06 -0.52 0.00 5.04 -1.26 -0.49 117.35 124.26 2j1k s TYR 38 Ca 0.06 0.41 -0.13 0.00 -2.44 0.00 0.00 57.07 54.97 2j1k s TYR 38 Cb -0.14 -3.54 0.13 0.00 0.35 0.00 0.00 41.96 38.76 2j1k s TYR 38 CO 0.04 -0.85 0.45 -0.51 -1.34 0.00 0.00 175.55 173.35 2j1k s LEU 39 N 3.22 6.02 0.28 6.97 1.43 0.11 -5.01 118.68 131.70 2j1k s LEU 39 Ca 0.31 -1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 51.25 2j1k s LEU 39 Cb -0.13 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 2j1k s LEU 39 CO 0.20 -0.79 1.11 -2.84 0.23 0.00 0.00 176.35 174.26 2j1k s PRO 40 N 1.47 4.62 -0.47 1.29 0.02 -1.26 -1.95 135.00 138.72 2j1k s PRO 40 Ca 0.04 1.83 0.06 0.00 0.02 0.00 0.00 61.00 62.95 2j1k s PRO 40 Cb -0.28 -3.18 0.19 0.00 0.02 0.00 0.00 34.50 31.24 2j1k s PRO 40 CO 0.01 0.18 0.58 0.00 -0.33 0.00 0.00 177.00 177.45 2j1k s LYS 42 N 0.45 3.83 0.05 0.00 1.02 -1.26 -0.78 119.74 123.04 2j1k s LYS 42 Ca 0.32 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.63 2j1k s LYS 42 Cb 0.04 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2j1k s LYS 42 CO -0.12 0.69 -0.07 -0.59 -0.92 0.00 0.00 175.35 174.34 2j1k s PHE 43 N -1.11 0.70 0.04 3.18 -0.12 0.34 -2.04 117.98 118.97 2j1k s PHE 43 Ca 0.23 -0.61 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 2j1k s PHE 43 Cb -0.16 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 2j1k s PHE 43 CO 0.12 -0.11 -0.01 0.99 -0.05 0.00 0.00 175.22 176.17 2j1k s THR 44 N -1.99 4.05 0.02 -4.49 2.01 -0.53 -4.47 115.64 110.25 2j1k s THR 44 Ca -0.05 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.23 2j1k s THR 44 Cb -0.06 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 2j1k s THR 44 CO -0.01 0.27 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.33 2j1k s LEU 45 N -1.85 3.01 0.26 4.42 1.43 -1.26 -3.31 118.68 121.38 2j1k s LEU 45 Ca 0.22 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 2j1k s LEU 45 Cb -0.12 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2j1k s LEU 45 CO 0.13 0.27 0.19 -0.94 0.23 0.00 0.00 176.35 176.23 2j1k s SER 46 N -1.43 5.41 0.65 2.29 1.04 -1.26 -2.22 113.70 118.18 2j1k s SER 46 Ca 0.16 -0.31 0.39 0.00 0.48 0.00 0.00 55.95 56.67 2j1k s SER 46 Cb -0.11 -1.31 2.16 0.00 0.10 0.00 0.00 66.02 66.87 2j1k s SER 46 CO 0.07 -0.07 2.26 1.55 0.98 0.00 0.00 173.24 178.03 2j1k h PRO 47 N 1.50 0.00 0.00 4.02 0.13 -1.93 -2.19 132.00 133.53 2j1k h PRO 47 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2j1k h PRO 47 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2j1k h PRO 47 CO 0.60 0.00 -0.16 1.05 -0.23 0.00 0.00 178.00 179.27 2j1k h GLU 48 N 0.00 0.00 -5.62 0.86 4.11 -1.95 -3.41 114.58 108.57 2j1k h GLU 48 Ca 0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.95 2j1k h GLU 48 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2j1k h GLU 48 CO -0.00 0.00 1.61 -0.25 0.07 0.00 0.00 179.01 180.44 2j1k n ASP 49 N -2.77 3.91 -0.54 3.06 8.00 -0.83 -4.21 116.55 123.18 2j1k n ASP 49 Ca 0.04 -2.80 0.12 0.00 0.71 0.00 0.00 54.79 52.86 2j1k n ASP 49 Cb 0.50 -1.74 0.10 0.00 -0.02 0.00 0.00 41.12 39.96 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 8.30 1.38 -1.76 -1.24 1.13 -0.53 -4.84 117.38 119.82 2j1k n GLN 50 Ca 0.47 -1.09 -0.30 0.00 -1.94 0.00 0.00 57.00 54.14 2j1k n GLN 50 Cb 0.46 -1.48 0.21 0.00 0.11 0.00 0.00 30.24 29.55 2j1k n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2j1k n GLY 51 N 1.38 -1.72 3.73 1.08 0.00 -0.04 -4.94 105.19 104.70 2j1k n GLY 51 Ca 0.11 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2j1k n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j1k s PRO 52 N -5.84 4.53 0.26 1.61 0.04 -1.26 -4.54 135.00 129.80 2j1k s PRO 52 Ca 0.75 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 2j1k s PRO 52 Cb -0.03 -3.27 -0.11 0.00 0.04 0.00 0.00 34.50 31.13 2j1k s PRO 52 CO 0.53 -0.04 1.52 -1.17 0.04 0.00 0.00 177.00 177.88 2j1k s LEU 53 N -0.09 4.37 -0.28 -3.56 2.96 -1.26 -4.42 118.68 116.39 2j1k s LEU 53 Ca 0.52 2.79 -0.00 0.00 -0.22 0.00 0.00 54.13 57.22 2j1k s LEU 53 Cb -0.31 -3.63 0.14 0.00 0.50 0.00 0.00 46.19 42.90 2j1k s LEU 53 CO 0.35 -0.80 0.33 -0.62 -1.32 0.00 0.00 176.35 174.28 2j1k s ASP 54 N 0.47 1.27 0.11 3.68 2.15 0.10 -4.34 116.67 120.11 2j1k s ASP 54 Ca 0.62 -0.60 0.11 0.00 0.43 0.00 0.00 52.55 53.11 2j1k s ASP 54 Cb -0.45 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 42.82 2j1k s ASP 54 CO 0.45 -0.37 -0.27 -0.63 -0.17 0.00 0.00 175.17 174.17 2j1k s ILE 55 N 2.42 2.22 -0.22 4.11 1.01 -0.06 -0.98 121.20 129.70 2j1k s ILE 55 Ca 0.09 -1.66 -0.16 0.00 0.00 0.00 0.00 60.65 58.92 2j1k s ILE 55 Cb -0.14 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.45 2j1k s ILE 55 CO -0.31 0.16 0.55 -0.70 0.00 0.00 0.00 174.94 174.64 2j1k s GLU 56 N -1.85 0.60 -0.05 2.79 2.12 -0.75 -0.18 118.70 121.38 2j1k s GLU 56 Ca 0.13 0.88 -0.00 0.00 0.36 0.00 0.00 54.97 56.34 2j1k s GLU 56 Cb -0.10 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 2j1k s GLU 56 CO 0.05 -0.11 -0.01 -1.58 -0.54 0.00 0.00 175.26 173.07 2j1k s TRP 57 N 0.87 3.10 0.09 5.30 0.52 0.27 -1.12 118.94 127.97 2j1k s TRP 57 Ca -0.05 0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.23 2j1k s TRP 57 Cb -0.05 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2j1k s TRP 57 CO -0.07 0.45 -0.08 -0.51 0.02 0.00 0.00 176.95 176.76 2j1k s LEU 58 N -1.15 2.43 -0.03 2.99 1.43 -0.27 -0.83 118.68 123.25 2j1k s LEU 58 Ca 0.16 -0.86 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 2j1k s LEU 58 Cb -0.11 -0.17 -0.00 0.00 0.03 0.00 0.00 46.19 45.93 2j1k s LEU 58 CO 0.05 -0.35 -0.15 -0.51 0.23 0.00 0.00 176.35 175.62 2j1k s ILE 59 N -2.84 1.26 -0.61 -0.59 2.07 0.56 -0.40 121.20 120.66 2j1k s ILE 59 Ca 0.06 -0.63 -0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2j1k s ILE 59 Cb -0.00 -1.09 0.16 0.00 0.13 0.00 0.00 42.46 41.66 2j1k s ILE 59 CO -0.02 0.37 0.43 -0.44 -1.91 0.00 0.00 174.94 173.36 2j1k s SER 60 N 0.01 5.33 0.47 4.50 0.01 0.14 -0.76 113.70 123.39 2j1k s SER 60 Ca -0.02 -2.73 -0.23 0.00 1.31 0.00 0.00 55.95 54.29 2j1k s SER 60 Cb -0.10 -1.87 -0.07 0.00 0.21 0.00 0.00 66.02 64.19 2j1k s SER 60 CO 0.01 -0.41 1.17 -2.16 0.41 0.00 0.00 173.24 172.27 2j1k s PRO 61 N 0.12 3.70 0.23 12.44 0.04 -1.25 -2.11 135.00 148.18 2j1k s PRO 61 Ca 0.16 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.99 2j1k s PRO 61 Cb -0.20 -2.37 0.24 0.00 0.04 0.00 0.00 34.50 32.21 2j1k s PRO 61 CO -0.04 -0.60 1.59 0.00 0.04 0.00 0.00 177.00 177.99 2j1k h ALA 62 N 1.96 0.86 0.00 8.56 0.00 -1.48 -3.33 119.26 125.84 2j1k h ALA 62 Ca -0.49 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2j1k h ALA 62 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2j1k h ALA 62 CO 0.60 0.66 0.00 -0.40 0.00 0.00 0.00 179.25 180.11 2j1k n ASP 63 N -3.98 0.43 -3.93 0.00 5.68 -1.26 -4.86 116.55 108.63 2j1k n ASP 63 Ca -0.02 0.56 -0.13 0.00 -0.50 0.00 0.00 54.79 54.69 2j1k n ASP 63 Cb 0.55 -0.67 -0.09 0.00 -1.14 0.00 0.00 41.12 39.77 2j1k n ASP 63 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2j1k s ASN 64 N -3.81 0.51 0.11 -1.12 4.22 -1.25 -5.05 114.94 108.54 2j1k s ASN 64 Ca 0.10 -1.43 0.24 0.00 -2.14 0.00 0.00 52.86 49.63 2j1k s ASN 64 Cb 0.13 0.46 0.94 0.00 1.28 0.00 0.00 41.25 44.06 2j1k s ASN 64 CO 0.49 -0.95 1.75 0.00 -2.04 0.00 0.00 177.10 176.35 2j1k n GLN 65 N -0.38 0.11 -1.98 3.55 6.02 -1.26 -4.72 117.38 118.72 2j1k n GLN 65 Ca 0.03 0.19 -0.37 0.00 -0.01 0.00 0.00 57.00 56.84 2j1k n GLN 65 Cb 0.64 -1.65 0.03 0.00 1.02 0.00 0.00 30.24 30.28 2j1k n GLN 65 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2j1k s LYS 66 N -3.09 3.11 0.04 -1.09 1.02 -1.26 -5.04 119.74 113.42 2j1k s LYS 66 Ca 0.10 1.94 0.01 0.00 0.02 0.00 0.00 55.97 58.04 2j1k s LYS 66 Cb 0.13 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 2j1k s LYS 66 CO 0.47 -1.13 -0.06 0.08 -0.92 0.00 0.00 175.35 173.79 2j1k s VAL 67 N -1.50 0.40 -1.38 3.17 1.01 -1.26 -3.97 120.40 116.87 2j1k s VAL 67 Ca 0.74 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2j1k s VAL 67 Cb -0.33 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2j1k s VAL 67 CO 0.37 -0.43 0.52 0.47 0.00 0.00 0.00 175.10 176.04 2j1k n ASP 68 N 1.48 -0.72 -4.60 3.32 8.00 -1.13 -4.92 116.55 117.98 2j1k n ASP 68 Ca -0.23 -0.94 -0.40 0.00 0.71 0.00 0.00 54.79 53.92 2j1k n ASP 68 Cb 0.55 -3.38 -0.08 0.00 -0.02 0.00 0.00 41.12 38.19 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 -6.38 3.93 0.22 -1.24 -1.52 0.06 -4.79 119.66 109.94 2j1k s GLN 69 Ca 0.03 0.18 -0.31 0.00 -1.95 0.00 0.00 55.36 53.31 2j1k s GLN 69 Cb -0.02 -3.70 -0.15 0.00 -0.22 0.00 0.00 33.01 28.92 2j1k s GLN 69 CO 0.86 -0.45 1.16 0.28 -0.25 0.00 0.00 175.29 176.89 2j1k n VAL 70 N 5.26 1.24 -0.04 1.09 0.31 -1.26 -0.32 118.33 124.60 2j1k n VAL 70 Ca -0.04 -0.31 -0.07 0.00 -0.01 0.00 0.00 64.34 63.91 2j1k n VAL 70 Cb 0.49 -1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.39 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 1.18 0.50 -3.71 2.52 -5.35 -0.01 -3.58 119.36 110.91 2j1k n ILE 71 Ca 0.13 -0.17 -0.14 0.00 -0.27 0.00 0.00 62.75 62.30 2j1k n ILE 71 Cb 0.28 -1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 37.09 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 -2.17 0.05 0.11 7.28 2.07 -1.20 -4.32 121.20 123.02 2j1k s ILE 72 Ca -0.12 -0.42 -0.05 0.00 -1.41 0.00 0.00 60.65 58.65 2j1k s ILE 72 Cb 0.04 -0.75 -0.02 0.00 0.13 0.00 0.00 42.46 41.85 2j1k s ILE 72 CO 0.19 -0.23 0.13 -1.48 -1.91 0.00 0.00 174.94 171.64 2j1k s LEU 73 N -1.47 1.63 -0.09 8.50 0.05 -0.21 -0.57 118.68 126.51 2j1k s LEU 73 Ca -0.11 -0.92 -0.02 0.00 0.05 0.00 0.00 54.13 53.13 2j1k s LEU 73 Cb -0.03 0.71 0.03 0.00 -2.05 0.00 0.00 46.19 44.85 2j1k s LEU 73 CO 0.03 -0.74 0.01 -0.47 -0.55 0.00 0.00 176.35 174.63 2j1k s TYR 74 N -3.95 0.72 -0.03 3.48 5.04 0.74 -1.30 117.35 122.05 2j1k s TYR 74 Ca 0.13 -0.26 -0.20 0.00 -2.44 0.00 0.00 57.07 54.30 2j1k s TYR 74 Cb 0.06 -0.83 0.04 0.00 0.35 0.00 0.00 41.96 41.57 2j1k s TYR 74 CO -0.05 -0.37 0.42 -1.54 -1.34 0.00 0.00 175.55 172.68 2j1k s SER 75 N 1.96 -0.34 -1.46 4.32 1.04 -0.82 -0.88 113.70 117.52 2j1k s SER 75 Ca 0.04 0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 2j1k s SER 75 Cb -0.13 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.41 2j1k s SER 75 CO -0.06 -0.50 0.56 0.61 0.98 0.00 0.00 173.24 174.84 2j1k n GLY 76 N 1.17 -0.51 2.41 7.32 0.00 -1.26 -2.20 105.19 112.12 2j1k n GLY 76 Ca -0.21 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.44 -5.44 -4.14 1.61 8.00 -1.26 -4.99 116.55 107.90 2j1k n ASP 77 Ca -0.08 0.10 -0.18 0.00 0.71 0.00 0.00 54.79 55.34 2j1k n ASP 77 Cb 0.59 -4.52 -0.13 0.00 -0.02 0.00 0.00 41.12 37.05 2j1k n ASP 77 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2j1k s LYS 78 N -4.63 0.81 -0.19 -1.24 1.02 -0.93 -5.14 119.74 109.43 2j1k s LYS 78 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 2j1k s LYS 78 Cb 0.00 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 36.48 2j1k s LYS 78 CO 0.00 0.18 0.13 0.42 -0.92 0.00 0.00 175.35 175.16 2j1k s ILE 79 N -1.06 5.40 -0.13 2.17 1.01 -1.26 -1.94 121.20 125.38 2j1k s ILE 79 Ca -0.01 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.85 2j1k s ILE 79 Cb -0.09 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2j1k s ILE 79 CO 0.01 0.45 -0.22 -0.31 0.00 0.00 0.00 174.94 174.88 2j1k s TYR 80 N 0.25 2.66 0.00 3.97 2.02 -0.42 -5.02 117.35 120.81 2j1k s TYR 80 Ca 0.08 -1.29 0.00 0.00 -0.37 0.00 0.00 57.07 55.50 2j1k s TYR 80 Cb -0.11 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 2j1k s TYR 80 CO -0.01 -0.58 0.58 -0.40 -1.57 0.00 0.00 175.55 173.57 2j1k n ASP 81 N 3.98 0.75 -4.06 2.29 5.68 -1.26 -1.05 116.55 122.88 2j1k n ASP 81 Ca -0.20 -1.32 -0.43 0.00 -0.50 0.00 0.00 54.79 52.34 2j1k n ASP 81 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2j1k n ASP 81 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2j1k n ASP 82 N -0.16 5.56 0.00 -1.12 9.92 -1.26 -4.64 116.55 124.85 2j1k n ASP 82 Ca 0.00 -3.17 0.00 0.00 -0.53 0.00 0.00 54.79 51.09 2j1k n ASP 82 Cb 0.33 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.38 2j1k n ASP 82 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2j1k n TYR 83 N 3.27 0.00 -3.61 1.24 4.01 -1.26 -5.04 117.16 115.77 2j1k n TYR 83 Ca 0.33 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.68 2j1k n TYR 83 Cb 0.37 0.24 -0.10 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.74 3.39 0.33 -0.72 5.04 -1.23 -4.95 117.35 117.45 2j1k s TYR 84 Ca 0.00 -1.74 0.06 0.00 -2.44 0.00 0.00 57.07 52.96 2j1k s TYR 84 Cb 0.00 -3.13 0.73 0.00 0.35 0.00 0.00 41.96 39.91 2j1k s TYR 84 CO 0.00 -0.90 1.85 -1.35 -1.34 0.00 0.00 175.55 173.80 2j1k h PRO 85 N 8.37 0.77 0.00 4.97 0.11 -1.96 -1.74 132.00 142.53 2j1k h PRO 85 Ca -0.21 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 2j1k h PRO 85 Cb 1.08 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2j1k h PRO 85 CO 0.78 0.51 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.56 2j1k h ASP 86 N 0.80 0.00 -0.48 -2.05 3.32 -2.02 -2.54 116.42 113.45 2j1k h ASP 86 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2j1k h ASP 86 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2j1k h ASP 86 CO -0.25 0.08 0.00 0.18 -1.72 0.00 0.00 179.24 177.54 2j1k n LEU 87 N -3.34 3.32 -4.67 1.55 4.77 -0.68 -5.01 117.00 112.95 2j1k n LEU 87 Ca -0.01 -1.89 -0.47 0.00 -0.03 0.00 0.00 56.01 53.61 2j1k n LEU 87 Cb 0.26 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2j1k n LEU 87 CO 0.28 0.81 1.23 1.17 -1.33 0.00 0.00 177.39 179.54 2j1k n LYS 88 N 1.05 2.07 0.00 3.23 4.81 -0.96 -1.33 118.16 127.04 2j1k n LYS 88 Ca 0.17 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2j1k n LYS 88 Cb 0.51 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2j1k n LYS 88 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2j1k n GLY 89 N 3.53 2.73 0.83 3.14 0.00 -1.26 -4.83 105.19 109.33 2j1k n GLY 89 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.00 1.88 -5.23 1.61 1.74 -0.44 -4.93 116.66 109.30 2j1k n ARG 90 Ca 0.00 -1.75 -0.32 0.00 -0.77 0.00 0.00 57.85 55.02 2j1k n ARG 90 Cb 0.00 -1.40 -0.17 0.00 -1.02 0.00 0.00 32.46 29.88 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 -1.70 2.04 -0.10 1.55 1.01 -1.24 -0.81 120.40 121.16 2j1k s VAL 91 Ca 0.25 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 2j1k s VAL 91 Cb 0.17 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.86 2j1k s VAL 91 CO 0.26 0.56 0.55 -1.38 0.00 0.00 0.00 175.10 175.09 2j1k s HIS 92 N 0.10 -0.53 0.12 5.22 -3.43 -1.03 -5.00 115.29 110.75 2j1k s HIS 92 Ca -0.11 1.05 -0.31 0.00 -0.80 0.00 0.00 55.06 54.88 2j1k s HIS 92 Cb -0.16 0.27 -0.09 0.00 -1.43 0.00 0.00 32.58 31.17 2j1k s HIS 92 CO 0.06 -0.45 1.53 -0.06 -2.00 0.00 0.00 174.74 173.82 2j1k s PHE 93 N -0.73 2.95 0.11 0.38 0.08 -1.26 -1.26 117.98 118.24 2j1k s PHE 93 Ca -0.08 0.65 0.04 0.00 0.12 0.00 0.00 56.93 57.65 2j1k s PHE 93 Cb -0.03 -3.86 -0.22 0.00 -0.57 0.00 0.00 43.02 38.34 2j1k s PHE 93 CO 0.06 -3.22 1.24 1.79 -0.10 0.00 0.00 175.22 174.99 2j1k h THR 94 N 4.31 1.66 -3.98 0.64 1.35 -1.71 -3.47 112.91 111.70 2j1k h THR 94 Ca -0.42 -3.31 -0.48 0.00 -0.55 0.00 0.00 66.41 61.65 2j1k h THR 94 Cb 1.20 2.87 0.02 0.00 -1.73 0.00 0.00 68.15 70.51 2j1k h THR 94 CO 0.91 0.95 0.41 -0.55 -0.25 0.00 0.00 175.52 176.99 2j1k s SER 95 N -6.84 6.66 0.16 5.36 0.15 -1.26 -4.96 113.70 112.96 2j1k s SER 95 Ca -0.00 2.03 0.09 0.00 0.70 0.00 0.00 55.95 58.76 2j1k s SER 95 Cb 0.09 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.71 2j1k s SER 95 CO 0.84 -0.56 1.34 -0.55 1.20 0.00 0.00 173.24 175.50 2j1k h ASN 96 N 2.30 0.00 -3.26 5.45 -1.07 -1.93 -3.40 115.58 113.68 2j1k h ASN 96 Ca -0.49 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.28 2j1k h ASN 96 Cb 1.22 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 37.07 2j1k h ASN 96 CO 0.62 0.89 -0.75 -0.62 0.07 0.00 0.00 177.43 177.64 2j1k s ASP 97 N -6.68 3.50 0.26 6.14 2.15 -1.26 -4.97 116.67 115.81 2j1k s ASP 97 Ca 0.01 -2.90 -0.04 0.00 0.43 0.00 0.00 52.55 50.05 2j1k s ASP 97 Cb 0.10 -1.04 0.35 0.00 -0.30 0.00 0.00 42.92 42.03 2j1k s ASP 97 CO 0.80 -0.22 1.90 -0.07 -0.17 0.00 0.00 175.17 177.41 2j1k h LEU 98 N 6.33 1.07 -2.59 -1.34 4.07 -1.78 -2.90 115.31 118.17 2j1k h LEU 98 Ca 0.06 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 2j1k h LEU 98 Cb 0.90 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 2j1k h LEU 98 CO 0.51 0.72 -0.00 0.07 -1.08 0.00 0.00 178.44 178.65 2j1k h LYS 99 N 1.23 0.00 -0.00 1.13 2.10 -1.93 -1.40 116.57 117.70 2j1k h LYS 99 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2j1k h LYS 99 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2j1k h LYS 99 CO -0.14 0.00 -0.00 0.43 -2.00 0.00 0.00 179.45 177.74 2j1k n SER 100 N -3.11 0.05 0.00 7.07 7.64 -1.10 -4.86 113.62 119.32 2j1k n SER 100 Ca -0.02 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2j1k n SER 100 Cb 0.13 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.05 1.95 2.76 0.23 0.00 -0.55 -4.99 105.19 105.63 2j1k n GLY 101 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 4.06 -0.09 1.61 2.15 -1.05 -0.50 116.67 120.84 2j1k s ASP 102 Ca 0.00 -1.80 0.17 0.00 0.43 0.00 0.00 52.55 51.35 2j1k s ASP 102 Cb 0.00 -0.96 0.66 0.00 -0.30 0.00 0.00 42.92 42.32 2j1k s ASP 102 CO 0.00 -0.40 1.55 0.00 -0.17 0.00 0.00 175.17 176.16 2j1k n ALA 103 N 4.64 2.99 -1.73 3.66 0.00 0.04 -4.30 120.51 125.82 2j1k n ALA 103 Ca -0.00 -1.42 -0.37 0.00 0.00 0.00 0.00 53.44 51.65 2j1k n ALA 103 Cb 0.41 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.91 2j1k n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2j1k n SER 104 N 1.07 2.13 -4.28 0.00 7.64 -1.19 -4.66 113.62 114.32 2j1k n SER 104 Ca 0.24 0.84 -0.17 0.00 1.01 0.00 0.00 58.87 60.78 2j1k n SER 104 Cb 0.80 -1.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.34 2j1k n SER 104 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2j1k s ILE 105 N -1.37 1.43 -0.14 0.44 -4.36 -0.82 -1.87 121.20 114.51 2j1k s ILE 105 Ca 0.82 -1.98 -0.04 0.00 -0.26 0.00 0.00 60.65 59.18 2j1k s ILE 105 Cb -0.38 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 2j1k s ILE 105 CO 0.41 -0.57 0.02 0.20 0.24 0.00 0.00 174.94 175.24 2j1k s ASN 106 N -2.95 5.30 -0.39 4.36 0.01 -0.39 0.04 114.94 120.93 2j1k s ASN 106 Ca 0.16 0.07 -0.07 0.00 -0.71 0.00 0.00 52.86 52.31 2j1k s ASN 106 Cb -0.01 -1.74 0.07 0.00 0.41 0.00 0.00 41.25 39.98 2j1k s ASN 106 CO 0.04 0.26 0.19 -0.69 -1.51 0.00 0.00 177.10 175.39 2j1k s VAL 107 N -0.16 3.87 0.50 1.60 1.01 0.35 -2.45 120.40 125.12 2j1k s VAL 107 Ca 0.05 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 2j1k s VAL 107 Cb -0.12 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2j1k s VAL 107 CO 0.02 -0.42 0.82 0.42 0.00 0.00 0.00 175.10 175.93 2j1k s THR 108 N 1.36 4.79 -1.14 3.92 -4.23 0.01 -0.35 115.64 120.00 2j1k s THR 108 Ca 0.02 0.24 -0.27 0.00 -1.18 0.00 0.00 61.69 60.50 2j1k s THR 108 Cb -0.22 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 69.82 2j1k s THR 108 CO 0.01 -0.85 0.71 -3.20 -0.54 0.00 0.00 174.62 170.75 2j1k n ASN 109 N -2.33 -4.61 -4.69 3.99 5.15 -1.12 -4.77 115.26 106.88 2j1k n ASN 109 Ca 0.01 -1.17 -0.44 0.00 -0.60 0.00 0.00 54.58 52.38 2j1k n ASN 109 Cb 0.55 -2.17 -0.04 0.00 -0.53 0.00 0.00 39.78 37.59 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 -4.51 3.59 -4.91 1.20 4.77 0.89 -4.54 117.00 113.49 2j1k n LEU 110 Ca -0.13 1.05 -0.21 0.00 -0.03 0.00 0.00 56.01 56.70 2j1k n LEU 110 Cb 0.58 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 2j1k n LEU 110 CO 0.71 -0.03 -0.06 -1.10 -1.33 0.00 0.00 177.39 175.58 2j1k s GLN 111 N 1.44 3.02 0.52 3.23 -1.52 -1.26 -0.34 119.66 124.74 2j1k s GLN 111 Ca 0.79 -1.06 0.30 0.00 -1.95 0.00 0.00 55.36 53.44 2j1k s GLN 111 Cb -0.59 -2.67 1.24 0.00 -0.22 0.00 0.00 33.01 30.78 2j1k s GLN 111 CO 0.36 0.22 1.94 -0.07 -0.25 0.00 0.00 175.29 177.50 2j1k h LEU 112 N 1.19 0.00 -0.18 2.90 3.38 -1.94 -2.34 115.31 118.32 2j1k h LEU 112 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 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 0.58 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.65 2j1k n SER 113 N -3.22 0.27 -0.01 -0.43 3.41 -1.26 -3.30 113.62 109.08 2j1k n SER 113 Ca 0.00 0.55 0.15 0.00 -0.26 0.00 0.00 58.87 59.31 2j1k n SER 113 Cb 0.34 -0.61 0.71 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.78 0.06 -4.68 4.04 8.00 -0.88 -4.81 116.55 116.49 2j1k n ASP 114 Ca 0.04 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.04 2j1k n ASP 114 Cb 0.25 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.64 2.82 -2.32 0.53 1.01 -1.21 -4.88 121.20 114.51 2j1k s ILE 115 Ca 0.26 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2j1k s ILE 115 Cb 0.20 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2j1k s ILE 115 CO 0.48 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2j1k n GLY 116 N 4.22 -1.44 3.67 6.18 0.00 -0.98 -1.21 105.19 115.63 2j1k n GLY 116 Ca 0.18 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.80 5.24 -0.14 2.61 2.01 -0.90 -0.78 115.64 120.87 2j1k s THR 117 Ca 0.00 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 2j1k s THR 117 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2j1k s THR 117 CO 0.00 0.40 0.00 -0.31 -0.69 0.00 0.00 174.62 174.02 2j1k s TYR 118 N 0.72 3.13 -0.17 4.92 2.02 0.88 -0.69 117.35 128.16 2j1k s TYR 118 Ca 0.07 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2j1k s TYR 118 Cb -0.12 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2j1k s TYR 118 CO 0.01 0.15 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.83 2j1k s GLN 119 N 0.03 3.08 -0.20 -0.62 0.74 0.47 -0.55 119.66 122.62 2j1k s GLN 119 Ca 0.02 -0.80 -0.16 0.00 0.05 0.00 0.00 55.36 54.47 2j1k s GLN 119 Cb -0.13 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 2j1k s GLN 119 CO 0.02 -0.10 0.42 0.00 -0.55 0.00 0.00 175.29 175.08 2j1k s LYS 121 N 1.33 3.02 -0.15 0.00 1.02 -0.28 -0.55 119.74 124.14 2j1k s LYS 121 Ca 0.20 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2j1k s LYS 121 Cb -0.15 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2j1k s LYS 121 CO 0.08 -0.08 -0.14 0.08 -0.92 0.00 0.00 175.35 174.37 2j1k s VAL 122 N 0.98 2.81 -0.07 3.17 1.01 -0.05 -1.81 120.40 126.45 2j1k s VAL 122 Ca -0.03 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2j1k s VAL 122 Cb -0.15 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2j1k s VAL 122 CO -0.06 0.51 -0.17 -0.54 0.00 0.00 0.00 175.10 174.84 2j1k s LYS 123 N 0.68 2.13 -0.35 2.72 1.02 -0.15 -1.26 119.74 124.53 2j1k s LYS 123 Ca -0.07 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.32 2j1k s LYS 123 Cb -0.16 -1.72 0.14 0.00 -0.52 0.00 0.00 37.83 35.58 2j1k s LYS 123 CO 0.02 0.14 0.26 0.21 -0.92 0.00 0.00 175.35 175.06 2j1k s LYS 124 N 0.39 0.54 0.12 1.68 2.20 -0.57 -0.72 119.74 123.38 2j1k s LYS 124 Ca -0.13 -1.07 -0.34 0.00 -0.36 0.00 0.00 55.97 54.06 2j1k s LYS 124 Cb -0.15 -1.07 -0.17 0.00 -1.51 0.00 0.00 37.83 34.93 2j1k s LYS 124 CO 0.05 -1.19 1.05 0.00 -0.36 0.00 0.00 175.35 174.90 2j1k n ALA 125 N 4.24 -1.95 1.74 3.13 0.00 -1.26 -0.79 120.51 125.62 2j1k n ALA 125 Ca 0.10 0.50 0.15 0.00 0.00 0.00 0.00 53.44 54.20 2j1k n ALA 125 Cb 0.40 -1.89 0.84 0.00 0.00 0.00 0.00 19.45 18.81 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 1.63 0.81 -1.75 0.00 -0.04 -1.26 -0.86 135.00 133.54 2j1k n PRO 126 Ca 0.17 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 2j1k n PRO 126 Cb 0.19 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 2j1k n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2j1k n GLY 127 N 1.12 1.27 3.15 0.55 0.00 0.03 -5.02 105.19 106.30 2j1k n GLY 127 Ca 0.20 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 2j1k n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j1k s VAL 128 N -0.26 0.03 0.04 1.61 1.01 -1.26 -1.51 120.40 120.06 2j1k s VAL 128 Ca 0.62 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 2j1k s VAL 128 Cb -0.50 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.49 2j1k s VAL 128 CO 0.52 -0.16 0.50 0.00 0.00 0.00 0.00 175.10 175.96 2j1k s ALA 129 N -0.59 -1.26 0.04 5.51 0.00 -0.39 -4.76 121.76 120.31 2j1k s ALA 129 Ca -0.07 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 2j1k s ALA 129 Cb -0.04 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2j1k s ALA 129 CO 0.02 -0.48 -0.02 0.54 0.00 0.00 0.00 175.76 175.81 2j1k s ASN 130 N -1.91 0.36 -0.02 0.00 2.20 -1.26 -0.87 114.94 113.45 2j1k s ASN 130 Ca -0.06 -0.75 0.02 0.00 -0.94 0.00 0.00 52.86 51.13 2j1k s ASN 130 Cb -0.01 0.16 0.01 0.00 -2.00 0.00 0.00 41.25 39.40 2j1k s ASN 130 CO -0.01 -0.46 -0.05 -0.75 -2.94 0.00 0.00 177.10 172.89 2j1k s LYS 131 N -2.73 0.58 -0.11 3.55 2.20 0.29 -4.82 119.74 118.69 2j1k s LYS 131 Ca -0.04 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.38 2j1k s LYS 131 Cb -0.01 -0.58 -0.03 0.00 -1.51 0.00 0.00 37.83 35.70 2j1k s LYS 131 CO -0.06 0.05 0.00 0.15 -0.36 0.00 0.00 175.35 175.13 2j1k s LYS 132 N 0.27 3.25 -0.11 4.03 1.02 -0.43 -1.05 119.74 126.72 2j1k s LYS 132 Ca -0.03 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.55 2j1k s LYS 132 Cb -0.07 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 2j1k s LYS 132 CO -0.00 0.55 -0.13 0.42 -0.92 0.00 0.00 175.35 175.27 2j1k s ILE 133 N -0.47 1.37 -0.44 2.17 1.01 0.29 -1.95 121.20 123.17 2j1k s ILE 133 Ca 0.08 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 2j1k s ILE 133 Cb -0.12 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.10 2j1k s ILE 133 CO 0.02 0.42 0.51 -1.00 0.00 0.00 0.00 174.94 174.89 2j1k s HIS 134 N 1.22 3.13 -0.28 3.97 3.76 -0.75 -0.08 115.29 126.25 2j1k s HIS 134 Ca -0.02 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.42 2j1k s HIS 134 Cb -0.14 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 2j1k s HIS 134 CO -0.04 -0.80 0.25 -1.17 -0.85 0.00 0.00 174.74 172.13 2j1k s LEU 135 N 2.36 4.07 -0.06 0.89 2.96 0.04 -1.69 118.68 127.25 2j1k s LEU 135 Ca 0.15 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 2j1k s LEU 135 Cb -0.17 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 2j1k s LEU 135 CO 0.14 -0.11 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.37 2j1k s VAL 136 N 1.85 4.17 -0.13 1.68 1.01 -0.24 -2.31 120.40 126.42 2j1k s VAL 136 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2j1k s VAL 136 Cb -0.16 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2j1k s VAL 136 CO 0.11 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.93 2j1k s VAL 137 N -0.92 1.46 0.15 2.92 1.01 -1.26 -1.37 120.40 122.40 2j1k s VAL 137 Ca 0.15 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2j1k s VAL 137 Cb -0.11 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2j1k s VAL 137 CO 0.04 0.44 0.31 -0.76 0.00 0.00 0.00 175.10 175.13 2j1k s LEU 138 N 1.34 4.31 0.00 3.92 1.43 0.42 -4.84 118.68 125.26 2j1k s LEU 138 Ca 0.01 0.25 0.24 0.00 -1.03 0.00 0.00 54.13 53.60 2j1k s LEU 138 Cb -0.13 -2.99 0.24 0.00 0.03 0.00 0.00 46.19 43.33 2j1k s LEU 138 CO -0.07 0.04 1.29 0.52 0.23 0.00 0.00 176.35 178.35