#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8x n ASN 3 N 0.00 0.04 0.16 8.00 2.85 -1.26 -4.85 115.26 120.20 2j8x n ASN 3 Ca 0.00 0.93 0.03 0.00 -0.11 0.00 0.00 54.58 55.43 2j8x n ASN 3 Cb 0.00 -1.23 0.40 0.00 1.24 0.00 0.00 39.78 40.19 2j8x n ASN 3 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2j8x h LEU 4 N 0.99 0.10 -0.57 1.20 3.38 -2.00 -2.34 115.31 116.07 2j8x h LEU 4 Ca -0.43 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 2j8x h LEU 4 Cb 1.37 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2j8x h LEU 4 CO 0.53 0.35 -0.05 0.77 0.09 0.00 0.00 178.44 180.13 2j8x h SER 5 N 0.10 1.03 -0.73 -0.43 4.64 -1.89 -3.08 113.55 113.19 2j8x h SER 5 Ca 0.02 -0.33 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 2j8x h SER 5 Cb 0.48 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2j8x h SER 5 CO 0.03 1.11 0.21 0.44 -0.87 0.00 0.00 176.83 177.75 2j8x h ASP 6 N 0.93 1.08 -0.24 4.97 3.45 -1.79 -2.63 116.42 122.19 2j8x h ASP 6 Ca 0.16 -0.22 0.01 0.00 0.43 0.00 0.00 57.03 57.40 2j8x h ASP 6 Cb 0.61 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 2j8x h ASP 6 CO 0.04 1.01 0.15 0.40 -1.57 0.00 0.00 179.24 179.27 2j8x h ILE 7 N 1.09 1.05 -0.43 0.35 2.04 -1.39 0.72 117.51 120.95 2j8x h ILE 7 Ca 0.23 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 66.01 2j8x h ILE 7 Cb 0.33 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2j8x h ILE 7 CO -0.00 0.06 0.25 0.40 0.00 0.00 0.00 178.15 178.86 2j8x h ILE 8 N 0.31 1.04 -0.40 -0.67 2.04 -1.44 0.13 117.51 118.52 2j8x h ILE 8 Ca 0.09 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 2j8x h ILE 8 Cb -0.02 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2j8x h ILE 8 CO -0.03 0.09 -0.36 -0.08 0.00 0.00 0.00 178.15 177.77 2j8x h GLU 9 N 0.51 0.95 -0.44 2.37 4.81 -1.18 0.14 114.58 121.75 2j8x h GLU 9 Ca 0.17 -0.49 0.09 0.00 -0.13 0.00 0.00 59.36 59.00 2j8x h GLU 9 Cb 0.01 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 2j8x h GLU 9 CO -0.08 1.15 -0.25 0.87 -0.73 0.00 0.00 179.01 179.97 2j8x h LYS 10 N 0.78 -0.16 0.08 1.92 1.79 0.85 0.19 116.57 122.03 2j8x h LYS 10 Ca 0.07 0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 58.30 2j8x h LYS 10 Cb 0.96 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 2j8x h LYS 10 CO 0.09 -0.11 -1.14 0.93 -1.08 0.00 0.00 179.45 178.14 2j8x h GLU 11 N -0.16 0.18 0.00 3.15 4.39 -0.50 -3.39 114.58 118.24 2j8x h GLU 11 Ca 0.20 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2j8x h GLU 11 Cb 0.49 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2j8x h GLU 11 CO -0.53 1.14 -1.15 0.25 -1.16 0.00 0.00 179.01 177.55 2j8x n THR 12 N -3.48 0.01 -0.60 1.13 -2.24 0.48 -5.01 114.28 104.57 2j8x n THR 12 Ca -0.05 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2j8x n THR 12 Cb 0.99 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2j8x n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j8x n GLY 13 N 2.34 1.70 3.90 3.38 0.00 0.68 -5.01 105.19 112.18 2j8x n GLY 13 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2j8x n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j8x s LYS 14 N -0.04 3.53 -1.08 1.61 -2.85 -1.26 -4.97 119.74 114.68 2j8x s LYS 14 Ca 0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 55.97 54.65 2j8x s LYS 14 Cb 0.00 -3.03 0.25 0.00 -2.06 0.00 0.00 37.83 32.99 2j8x s LYS 14 CO 0.00 0.61 1.11 -0.65 0.10 0.00 0.00 175.35 176.52 2j8x s GLN 15 N -2.15 4.09 -0.06 1.78 -0.21 -1.26 -3.70 119.66 118.16 2j8x s GLN 15 Ca 0.32 -2.99 0.02 0.00 0.02 0.00 0.00 55.36 52.73 2j8x s GLN 15 Cb -0.13 -4.62 -0.03 0.00 1.00 0.00 0.00 33.01 29.23 2j8x s GLN 15 CO 0.21 -1.34 -0.10 -0.51 -2.12 0.00 0.00 175.29 171.43 2j8x s LEU 16 N -0.55 2.99 0.05 2.90 1.43 -1.26 -5.10 118.68 119.14 2j8x s LEU 16 Ca 0.31 -0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 2j8x s LEU 16 Cb -0.09 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 2j8x s LEU 16 CO -0.07 0.35 0.72 -0.69 0.23 0.00 0.00 176.35 176.90 2j8x s VAL 17 N -0.79 4.72 0.03 -1.59 1.01 -1.26 -4.87 120.40 117.66 2j8x s VAL 17 Ca 0.12 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 2j8x s VAL 17 Cb -0.11 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 2j8x s VAL 17 CO 0.01 0.40 1.67 -0.63 0.00 0.00 0.00 175.10 176.56 2j8x s ILE 18 N -0.26 3.21 -0.16 2.22 1.01 -1.26 -4.62 121.20 121.33 2j8x s ILE 18 Ca 0.36 0.52 0.12 0.00 0.00 0.00 0.00 60.65 61.65 2j8x s ILE 18 Cb -0.20 -3.34 -0.23 0.00 0.01 0.00 0.00 42.46 38.70 2j8x s ILE 18 CO 0.22 -0.02 0.22 0.00 0.00 0.00 0.00 174.94 175.36 2j8x n GLN 19 N 6.17 0.67 -3.76 2.79 6.02 -0.60 -4.98 117.38 123.70 2j8x n GLN 19 Ca 0.16 0.13 -0.12 0.00 -0.01 0.00 0.00 57.00 57.16 2j8x n GLN 19 Cb 0.41 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 2j8x n GLN 19 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2j8x s GLU 20 N -2.53 0.76 -0.29 -1.09 -1.05 -1.14 -5.02 118.70 108.34 2j8x s GLU 20 Ca -0.14 -0.42 0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2j8x s GLU 20 Cb 0.07 0.33 0.09 0.00 -0.44 0.00 0.00 34.13 34.18 2j8x s GLU 20 CO 0.79 -0.23 0.04 -1.12 0.95 0.00 0.00 175.26 175.69 2j8x s SER 21 N -1.83 4.10 -0.24 0.83 0.01 -1.26 -0.68 113.70 114.63 2j8x s SER 21 Ca -0.08 -1.60 -0.10 0.00 1.31 0.00 0.00 55.95 55.48 2j8x s SER 21 Cb -0.02 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.04 2j8x s SER 21 CO -0.01 -0.35 0.15 -0.63 0.41 0.00 0.00 173.24 172.81 2j8x s ILE 22 N 1.40 5.26 0.05 1.44 -1.09 -0.59 -4.78 121.20 122.89 2j8x s ILE 22 Ca 0.05 0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 2j8x s ILE 22 Cb -0.18 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2j8x s ILE 22 CO -0.15 0.35 1.00 -0.22 -1.23 0.00 0.00 174.94 174.69 2j8x s LEU 23 N 1.07 4.41 0.09 2.97 2.96 -1.26 0.96 118.68 129.89 2j8x s LEU 23 Ca 0.07 1.76 0.04 0.00 -0.22 0.00 0.00 54.13 55.79 2j8x s LEU 23 Cb -0.14 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 2j8x s LEU 23 CO 0.04 -0.22 -0.12 -0.04 -1.32 0.00 0.00 176.35 174.70 2j8x s MET 24 N 0.64 0.84 0.44 1.98 -1.94 0.16 -4.96 119.30 116.46 2j8x s MET 24 Ca 0.51 -1.08 -0.05 0.00 -1.71 0.00 0.00 55.69 53.36 2j8x s MET 24 Cb -0.23 -0.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.92 2j8x s MET 24 CO 0.29 0.12 0.73 -0.51 -0.01 0.00 0.00 175.02 175.64 2j8x s LEU 25 N -2.17 3.74 0.29 -0.03 1.43 -1.26 -0.40 118.68 120.28 2j8x s LEU 25 Ca 0.03 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2j8x s LEU 25 Cb -0.06 -3.78 0.56 0.00 0.03 0.00 0.00 46.19 42.94 2j8x s LEU 25 CO 0.01 -0.49 1.86 -0.65 0.23 0.00 0.00 176.35 177.31 2j8x h PRO 26 N 0.50 0.96 -0.38 1.29 0.11 -1.88 -2.40 132.00 130.20 2j8x h PRO 26 Ca -0.47 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2j8x h PRO 26 Cb 1.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2j8x h PRO 26 CO 0.62 0.64 0.05 0.93 -0.21 0.00 0.00 178.00 180.03 2j8x h GLU 27 N 0.99 0.64 0.00 1.05 3.07 -1.94 -0.61 114.58 117.79 2j8x h GLU 27 Ca 0.46 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 59.04 2j8x h GLU 27 Cb 0.41 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2j8x h GLU 27 CO -0.22 0.70 -0.51 1.05 -1.40 0.00 0.00 179.01 178.63 2j8x h GLU 28 N 0.48 0.00 -0.11 2.33 4.11 -1.89 -2.77 114.58 116.74 2j8x h GLU 28 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 2j8x h GLU 28 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2j8x h GLU 28 CO 0.01 0.51 -0.11 0.28 0.07 0.00 0.00 179.01 179.77 2j8x h VAL 29 N 0.00 1.36 -0.33 -1.06 2.07 -1.33 -3.23 116.25 113.73 2j8x h VAL 29 Ca -0.01 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 66.32 2j8x h VAL 29 Cb 1.10 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2j8x h VAL 29 CO 0.07 0.36 0.23 -0.08 0.02 0.00 0.00 177.57 178.17 2j8x h GLU 30 N -0.14 0.09 0.00 1.57 4.81 -1.01 0.92 114.58 120.82 2j8x h GLU 30 Ca 0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2j8x h GLU 30 Cb 0.63 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2j8x h GLU 30 CO 0.03 0.06 -0.06 0.93 -0.73 0.00 0.00 179.01 179.24 2j8x h GLU 31 N 0.10 0.00 0.00 1.92 5.08 -1.50 -2.42 114.58 117.76 2j8x h GLU 31 Ca 0.15 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.15 2j8x h GLU 31 Cb 0.48 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2j8x h GLU 31 CO -0.02 0.06 -2.37 0.28 -1.00 0.00 0.00 179.01 175.96 2j8x n VAL 32 N -3.76 1.37 -0.02 3.13 0.31 0.18 -4.73 118.33 114.81 2j8x n VAL 32 Ca -0.02 -0.51 -0.09 0.00 -0.01 0.00 0.00 64.34 63.71 2j8x n VAL 32 Cb 0.15 -1.39 -0.14 0.00 -0.91 0.00 0.00 33.84 31.55 2j8x n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2j8x h ILE 33 N -0.08 0.86 0.00 2.52 1.08 -1.19 -3.48 117.51 117.21 2j8x h ILE 33 Ca -0.54 -2.71 0.00 0.00 -0.39 0.00 0.00 64.86 61.22 2j8x h ILE 33 Cb 1.80 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 37.99 2j8x h ILE 33 CO -0.11 0.52 0.00 0.61 -0.69 0.00 0.00 178.15 178.47 2j8x n GLY 34 N 1.57 0.86 3.09 5.37 0.00 -0.91 -5.02 105.19 110.15 2j8x n GLY 34 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2j8x n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j8x s ASN 35 N -3.00 1.37 -0.24 1.61 -0.87 -1.26 -5.09 114.94 107.46 2j8x s ASN 35 Ca 0.00 -0.36 -0.11 0.00 -1.57 0.00 0.00 52.86 50.82 2j8x s ASN 35 Cb 0.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.25 41.08 2j8x s ASN 35 CO 0.00 0.04 0.18 -0.75 -2.57 0.00 0.00 177.10 174.00 2j8x s LYS 36 N -0.84 4.07 0.67 -0.60 2.20 -1.26 -4.00 119.74 119.98 2j8x s LYS 36 Ca 0.01 -0.24 -0.14 0.00 -0.36 0.00 0.00 55.97 55.24 2j8x s LYS 36 Cb -0.07 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2j8x s LYS 36 CO 0.01 0.03 1.09 -1.25 -0.36 0.00 0.00 175.35 174.87 2j8x s PRO 37 N 1.14 2.80 0.48 4.03 0.04 -1.26 -4.96 135.00 137.27 2j8x s PRO 37 Ca 0.08 1.29 0.28 0.00 0.04 0.00 0.00 61.00 62.69 2j8x s PRO 37 Cb -0.14 -1.96 0.84 0.00 0.04 0.00 0.00 34.50 33.28 2j8x s PRO 37 CO 0.05 -1.23 1.79 0.93 0.04 0.00 0.00 177.00 178.58 2j8x h GLU 38 N -0.16 0.00 0.00 4.56 4.39 -1.98 -3.45 114.58 117.94 2j8x h GLU 38 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2j8x h GLU 38 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2j8x h GLU 38 CO 0.54 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.84 2j8x n SER 39 N -3.06 0.00 -4.67 1.42 2.88 -1.26 -5.07 113.62 103.85 2j8x n SER 39 Ca 0.02 -0.22 -0.34 0.00 -1.33 0.00 0.00 58.87 57.00 2j8x n SER 39 Cb 0.42 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.99 2j8x n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2j8x n ASP 40 N -0.33 0.99 -4.02 -3.46 8.00 -1.26 -4.31 116.55 112.15 2j8x n ASP 40 Ca 0.00 0.63 -0.24 0.00 0.71 0.00 0.00 54.79 55.89 2j8x n ASP 40 Cb 0.00 -1.49 -0.16 0.00 -0.02 0.00 0.00 41.12 39.45 2j8x n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2j8x s ILE 41 N -1.96 1.08 -0.21 0.53 -1.09 0.46 -3.58 121.20 116.43 2j8x s ILE 41 Ca 0.74 -0.46 -0.19 0.00 -2.23 0.00 0.00 60.65 58.51 2j8x s ILE 41 Cb -0.31 -0.98 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 2j8x s ILE 41 CO 0.50 0.34 0.55 -0.76 -1.23 0.00 0.00 174.94 174.33 2j8x s LEU 42 N 0.57 4.13 -0.81 2.97 1.43 0.95 0.36 118.68 128.27 2j8x s LEU 42 Ca -0.12 0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 53.51 2j8x s LEU 42 Cb -0.14 -2.75 0.17 0.00 0.03 0.00 0.00 46.19 43.50 2j8x s LEU 42 CO 0.03 -0.22 0.85 -0.69 0.23 0.00 0.00 176.35 176.55 2j8x s VAL 43 N 1.82 5.24 -0.37 -1.59 1.01 0.27 -1.22 120.40 125.56 2j8x s VAL 43 Ca 0.25 -1.98 -0.27 0.00 0.00 0.00 0.00 61.98 59.98 2j8x s VAL 43 Cb -0.16 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.69 2j8x s VAL 43 CO 0.10 -1.17 0.98 -1.00 0.00 0.00 0.00 175.10 174.00 2j8x s HIS 44 N 1.29 3.06 0.03 5.22 0.09 0.42 -1.54 115.29 123.86 2j8x s HIS 44 Ca 0.21 0.84 0.06 0.00 -0.00 0.00 0.00 55.06 56.17 2j8x s HIS 44 Cb -0.11 -3.75 -0.02 0.00 -0.00 0.00 0.00 32.58 28.70 2j8x s HIS 44 CO -0.07 -0.87 -0.19 -0.08 -0.00 0.00 0.00 174.74 173.54 2j8x s THR 45 N 3.62 1.49 0.01 1.30 -1.32 0.15 0.44 115.64 121.33 2j8x s THR 45 Ca 0.41 -1.05 0.01 0.00 -1.21 0.00 0.00 61.69 59.84 2j8x s THR 45 Cb -0.11 -1.29 -0.01 0.00 -1.51 0.00 0.00 72.50 69.57 2j8x s THR 45 CO 0.20 0.22 -0.03 0.00 -2.21 0.00 0.00 174.62 172.79 2j8x s ALA 46 N -0.71 0.21 -0.11 11.08 0.00 -0.04 -1.55 121.76 130.64 2j8x s ALA 46 Ca 0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 2j8x s ALA 46 Cb -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2j8x s ALA 46 CO 0.01 -0.03 0.45 -0.47 0.00 0.00 0.00 175.76 175.72 2j8x s TYR 47 N -0.67 3.54 -0.49 0.00 5.04 -1.26 0.19 117.35 123.70 2j8x s TYR 47 Ca -0.06 0.88 -0.15 0.00 -2.44 0.00 0.00 57.07 55.31 2j8x s TYR 47 Cb -0.05 -2.50 0.09 0.00 0.35 0.00 0.00 41.96 39.85 2j8x s TYR 47 CO -0.00 0.23 0.41 0.34 -1.34 0.00 0.00 175.55 175.19 2j8x s ASP 48 N 0.39 6.08 0.51 4.32 -1.08 0.13 -4.95 116.67 122.07 2j8x s ASP 48 Ca 0.25 -1.52 0.30 0.00 -0.52 0.00 0.00 52.55 51.05 2j8x s ASP 48 Cb -0.15 -2.16 1.21 0.00 -1.46 0.00 0.00 42.92 40.36 2j8x s ASP 48 CO 0.10 -0.70 1.93 1.05 0.52 0.00 0.00 175.17 178.07 2j8x h GLU 49 N 8.74 0.00 0.00 4.34 4.11 -1.97 0.32 114.58 130.12 2j8x h GLU 49 Ca -0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.07 2j8x h GLU 49 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2j8x h GLU 49 CO 0.91 0.09 -0.37 0.66 0.07 0.00 0.00 179.01 180.37 2j8x h SER 50 N 0.00 0.00 0.00 3.06 4.64 -1.96 -3.27 113.55 116.02 2j8x h SER 50 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j8x h SER 50 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2j8x h SER 50 CO 0.01 0.37 -0.37 0.41 -0.87 0.00 0.00 176.83 176.38 2j8x n THR 51 N -3.61 0.00 -3.57 2.95 -1.04 -0.96 -5.02 114.28 103.03 2j8x n THR 51 Ca -0.01 -0.35 -0.20 0.00 -2.04 0.00 0.00 64.05 61.46 2j8x n THR 51 Cb 0.48 0.90 0.06 0.00 -1.82 0.00 0.00 70.33 69.95 2j8x n THR 51 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2j8x n ASP 52 N -1.19 -2.12 -4.22 8.00 2.03 0.11 -4.71 116.55 114.45 2j8x n ASP 52 Ca 0.01 -0.70 -0.19 0.00 0.52 0.00 0.00 54.79 54.43 2j8x n ASP 52 Cb 0.08 -4.66 -0.12 0.00 -0.72 0.00 0.00 41.12 35.70 2j8x n ASP 52 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2j8x s GLU 53 N -5.72 0.95 -0.19 -0.67 -1.05 -1.06 -3.14 118.70 107.81 2j8x s GLU 53 Ca 0.07 -1.10 -0.15 0.00 -0.15 0.00 0.00 54.97 53.64 2j8x s GLU 53 Cb -0.03 -0.94 -0.04 0.00 -0.44 0.00 0.00 34.13 32.68 2j8x s GLU 53 CO 0.77 0.20 0.35 -0.80 0.95 0.00 0.00 175.26 176.73 2j8x s ASN 54 N -2.06 6.42 -0.25 0.83 0.01 -0.99 -0.69 114.94 118.21 2j8x s ASN 54 Ca 0.04 0.49 -0.07 0.00 -0.71 0.00 0.00 52.86 52.61 2j8x s ASN 54 Cb -0.08 -2.21 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 2j8x s ASN 54 CO 0.03 -0.02 0.05 -0.69 -1.51 0.00 0.00 177.10 174.96 2j8x s VAL 55 N 1.05 4.12 -0.17 1.60 1.01 0.13 -0.79 120.40 127.34 2j8x s VAL 55 Ca 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2j8x s VAL 55 Cb -0.14 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2j8x s VAL 55 CO 0.07 0.34 -0.20 -0.04 0.00 0.00 0.00 175.10 175.27 2j8x s MET 56 N 1.58 2.93 -0.33 2.72 -1.94 0.66 -0.86 119.30 124.06 2j8x s MET 56 Ca 0.06 -0.81 -0.13 0.00 -1.71 0.00 0.00 55.69 53.10 2j8x s MET 56 Cb -0.15 -2.52 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 2j8x s MET 56 CO 0.02 -0.20 0.25 -1.17 -0.01 0.00 0.00 175.02 173.92 2j8x s LEU 57 N 1.27 4.39 -0.18 -0.03 2.96 0.17 -0.87 118.68 126.39 2j8x s LEU 57 Ca 0.04 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 2j8x s LEU 57 Cb -0.13 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 2j8x s LEU 57 CO -0.12 -0.21 0.51 -0.76 -1.32 0.00 0.00 176.35 174.44 2j8x s LEU 58 N 1.79 4.18 0.14 -0.68 1.43 0.00 -0.44 118.68 125.10 2j8x s LEU 58 Ca 0.07 0.71 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 2j8x s LEU 58 Cb -0.17 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2j8x s LEU 58 CO 0.11 -0.14 -0.12 -0.89 0.23 0.00 0.00 176.35 175.54 2j8x s THR 59 N 1.39 1.29 0.86 5.49 2.01 -0.35 -0.01 115.64 126.31 2j8x s THR 59 Ca 0.24 -1.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.18 2j8x s THR 59 Cb -0.15 -1.74 0.11 0.00 0.01 0.00 0.00 72.50 70.72 2j8x s THR 59 CO 0.10 -0.61 1.09 -0.94 -0.69 0.00 0.00 174.62 173.57 2j8x s SER 60 N -2.92 3.73 1.26 3.53 1.04 0.29 -0.03 113.70 120.60 2j8x s SER 60 Ca 0.14 1.59 -0.16 0.00 0.48 0.00 0.00 55.95 58.00 2j8x s SER 60 Cb -0.01 -2.27 0.32 0.00 0.10 0.00 0.00 66.02 64.16 2j8x s SER 60 CO 0.02 -2.49 0.99 -0.62 0.98 0.00 0.00 173.24 172.12 2j8x s ASP 61 N -3.39 0.18 0.63 7.02 2.15 -1.24 -3.35 116.67 118.67 2j8x s ASP 61 Ca 0.63 1.27 -0.17 0.00 0.43 0.00 0.00 52.55 54.70 2j8x s ASP 61 Cb -0.18 -1.93 -0.02 0.00 -0.30 0.00 0.00 42.92 40.50 2j8x s ASP 61 CO 0.57 -4.66 1.17 0.00 -0.17 0.00 0.00 175.17 172.08 2j8x s ALA 62 N -2.39 2.47 -2.57 3.66 0.00 -1.26 -2.08 121.76 119.58 2j8x s ALA 62 Ca 0.69 0.84 0.27 0.00 0.00 0.00 0.00 51.96 53.76 2j8x s ALA 62 Cb -0.21 -3.41 0.80 0.00 0.00 0.00 0.00 23.12 20.30 2j8x s ALA 62 CO 0.63 -1.26 1.60 -0.35 0.00 0.00 0.00 175.76 176.38 2j8x n PRO 63 N -1.96 1.77 -0.04 0.00 -0.04 -1.26 -4.87 135.00 128.60 2j8x n PRO 63 Ca 0.12 -1.17 -0.13 0.00 -0.04 0.00 0.00 63.50 62.29 2j8x n PRO 63 Cb 0.50 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 2j8x n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2j8x h GLU 64 N 2.86 0.22 -6.41 0.54 4.81 -1.84 -3.47 114.58 111.28 2j8x h GLU 64 Ca 0.00 -0.09 -0.49 0.00 -0.13 0.00 0.00 59.36 58.64 2j8x h GLU 64 Cb 0.63 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.92 2j8x h GLU 64 CO 0.00 0.56 -0.78 0.66 -0.73 0.00 0.00 179.01 178.72 2j8x n TYR 65 N -4.72 -2.14 -2.05 0.92 4.01 -0.89 -4.91 117.16 107.38 2j8x n TYR 65 Ca -0.06 0.88 -0.42 0.00 -0.16 0.00 0.00 57.90 58.13 2j8x n TYR 65 Cb 0.27 -3.73 -0.03 0.00 -0.31 0.00 0.00 39.34 35.54 2j8x n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2j8x s LYS 66 N -6.68 4.21 0.34 -0.72 2.20 -1.26 -4.53 119.74 113.29 2j8x s LYS 66 Ca 0.65 2.16 -0.29 0.00 -0.36 0.00 0.00 55.97 58.13 2j8x s LYS 66 Cb -0.33 -3.80 -0.11 0.00 -1.51 0.00 0.00 37.83 32.07 2j8x s LYS 66 CO 0.86 -0.76 1.53 -2.14 -0.36 0.00 0.00 175.35 174.47 2j8x s PRO 67 N 3.34 4.12 0.00 4.03 0.02 -1.26 -0.55 135.00 144.70 2j8x s PRO 67 Ca 0.71 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.29 2j8x s PRO 67 Cb -0.34 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2j8x s PRO 67 CO 0.29 -0.57 0.00 1.87 -0.33 0.00 0.00 177.00 178.26 2j8x n TRP 68 N 1.22 0.00 -3.68 6.54 -0.00 0.98 -4.81 117.44 117.70 2j8x n TRP 68 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.44 2j8x n TRP 68 Cb 0.39 0.08 -0.04 0.00 -0.00 0.00 0.00 31.31 31.73 2j8x n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2j8x s ALA 69 N -1.93 -0.90 -0.09 5.87 0.00 -1.06 -0.40 121.76 123.26 2j8x s ALA 69 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2j8x s ALA 69 Cb 0.00 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.89 2j8x s ALA 69 CO 0.00 -0.69 -0.13 -1.17 0.00 0.00 0.00 175.76 173.77 2j8x s LEU 70 N -2.83 1.60 -0.07 0.00 2.96 0.22 -0.82 118.68 119.74 2j8x s LEU 70 Ca 0.05 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2j8x s LEU 70 Cb 0.01 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 2j8x s LEU 70 CO -0.09 0.01 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.03 2j8x s VAL 71 N 0.91 1.89 -0.13 1.68 1.01 -0.05 -0.07 120.40 125.64 2j8x s VAL 71 Ca -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2j8x s VAL 71 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2j8x s VAL 71 CO 0.01 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.81 2j8x s ILE 72 N 0.05 2.33 -0.15 2.22 1.01 -0.20 -0.25 121.20 126.21 2j8x s ILE 72 Ca -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 2j8x s ILE 72 Cb -0.15 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2j8x s ILE 72 CO 0.05 0.54 -0.01 -1.58 0.00 0.00 0.00 174.94 173.93 2j8x s GLN 73 N 0.66 3.64 0.86 2.79 0.74 0.03 -0.11 119.66 128.27 2j8x s GLN 73 Ca -0.10 -0.47 -0.11 0.00 0.05 0.00 0.00 55.36 54.73 2j8x s GLN 73 Cb -0.16 -2.96 0.11 0.00 1.10 0.00 0.00 33.01 31.10 2j8x s GLN 73 CO 0.02 0.32 1.09 -0.51 -0.55 0.00 0.00 175.29 175.66 2j8x s ASP 74 N 0.18 3.74 0.32 6.67 -0.00 0.18 -2.36 116.67 125.40 2j8x s ASP 74 Ca -0.00 1.66 0.23 0.00 -0.00 0.00 0.00 52.55 54.44 2j8x s ASP 74 Cb -0.13 -2.33 1.16 0.00 -0.00 0.00 0.00 42.92 41.62 2j8x s ASP 74 CO 0.02 -2.50 1.71 0.28 -0.00 0.00 0.00 175.17 174.69 2j8x h SER 75 N -1.45 0.00 -0.26 0.27 0.02 -1.82 -2.22 113.55 108.09 2j8x h SER 75 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2j8x h SER 75 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2j8x h SER 75 CO 0.52 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 173.01 2j8x n ASN 76 N -2.30 2.92 0.00 3.07 4.05 -1.26 -4.97 115.26 116.76 2j8x n ASN 76 Ca -0.00 -1.85 0.00 0.00 0.45 0.00 0.00 54.58 53.17 2j8x n ASN 76 Cb 0.11 -0.16 0.00 0.00 1.23 0.00 0.00 39.78 40.95 2j8x n ASN 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2j8x n GLY 77 N 1.04 0.65 3.75 8.20 0.00 -0.83 -5.06 105.19 112.94 2j8x n GLY 77 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2j8x n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j8x s GLU 78 N -0.78 4.83 -0.20 1.61 8.01 -1.26 -4.65 118.70 126.26 2j8x s GLU 78 Ca 0.00 1.48 -0.10 0.00 0.01 0.00 0.00 54.97 56.36 2j8x s GLU 78 Cb 0.00 -3.30 -0.05 0.00 -4.31 0.00 0.00 34.13 26.47 2j8x s GLU 78 CO 0.00 0.47 0.14 -0.80 0.01 0.00 0.00 175.26 175.08 2j8x s ASN 79 N -0.99 6.21 -0.35 -0.19 0.01 -1.26 0.47 114.94 118.85 2j8x s ASN 79 Ca 0.42 0.22 -0.10 0.00 -0.71 0.00 0.00 52.86 52.70 2j8x s ASN 79 Cb -0.26 -2.10 0.02 0.00 0.41 0.00 0.00 41.25 39.32 2j8x s ASN 79 CO 0.32 0.16 0.17 -0.75 -1.51 0.00 0.00 177.10 175.49 2j8x s LYS 80 N 0.47 3.00 -0.12 -0.60 2.20 0.85 -4.96 119.74 120.58 2j8x s LYS 80 Ca 0.08 -0.95 -0.04 0.00 -0.36 0.00 0.00 55.97 54.70 2j8x s LYS 80 Cb -0.11 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2j8x s LYS 80 CO -0.01 -0.59 0.03 0.42 -0.36 0.00 0.00 175.35 174.84 2j8x s ILE 81 N 1.56 4.50 -0.19 5.43 1.01 -1.26 -1.03 121.20 131.22 2j8x s ILE 81 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 2j8x s ILE 81 Cb -0.18 -2.95 0.07 0.00 0.01 0.00 0.00 42.46 39.40 2j8x s ILE 81 CO 0.06 0.55 0.10 -0.75 0.00 0.00 0.00 174.94 174.90 2j8x s LYS 82 N -0.40 0.08 0.41 2.79 2.20 0.90 -4.99 119.74 120.73 2j8x s LYS 82 Ca 0.08 -0.15 -0.26 0.00 -0.36 0.00 0.00 55.97 55.29 2j8x s LYS 82 Cb -0.12 -1.73 -0.09 0.00 -1.51 0.00 0.00 37.83 34.38 2j8x s LYS 82 CO 0.02 -0.72 1.33 -1.64 -0.36 0.00 0.00 175.35 173.98 2j8x s MET 83 N 2.13 3.94 0.00 4.03 -1.94 -1.26 0.71 119.30 126.91 2j8x s MET 83 Ca 0.03 2.22 0.17 0.00 -1.71 0.00 0.00 55.69 56.40 2j8x s MET 83 Cb -0.16 -2.76 0.13 0.00 2.01 0.00 0.00 34.83 34.05 2j8x s MET 83 CO -0.13 -0.54 1.03 1.28 -0.01 0.00 0.00 175.02 176.65