#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x n GLY 2 N 0.00 0.78 3.76 -5.12 0.00 -1.26 -4.65 105.19 98.71 1j3x n GLY 2 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1j3x n GLY 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j3x n LYS 3 N 0.00 -5.03 0.08 1.61 4.81 -1.26 -4.85 118.16 113.52 1j3x n LYS 3 Ca 0.00 0.59 -0.07 0.00 -0.87 0.00 0.00 58.31 57.96 1j3x n LYS 3 Cb 0.00 -5.45 -0.04 0.00 0.02 0.00 0.00 35.03 29.56 1j3x n LYS 3 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1j3x h GLY 4 N -1.82 0.08 -2.58 3.14 0.00 -1.92 -3.46 103.07 96.51 1j3x h GLY 4 Ca -0.55 -0.17 -0.45 0.00 0.00 0.00 0.00 47.33 46.16 1j3x h GLY 4 CO 0.65 0.15 -0.34 0.99 0.00 0.00 0.00 176.54 177.99 1j3x s ASP 5 N -6.83 5.67 0.05 0.19 1.11 -1.24 -5.03 116.67 110.59 1j3x s ASP 5 Ca -0.01 -0.37 -0.17 0.00 0.18 0.00 0.00 52.55 52.18 1j3x s ASP 5 Cb 0.10 -0.95 -0.18 0.00 1.07 0.00 0.00 42.92 42.96 1j3x s ASP 5 CO 0.82 -0.54 1.23 1.55 1.18 0.00 0.00 175.17 179.41 1j3x h PRO 6 N 0.89 0.55 -0.97 8.23 0.13 -2.03 -3.36 132.00 135.44 1j3x h PRO 6 Ca -0.43 -0.45 -0.48 0.00 -0.87 0.00 0.00 66.00 63.77 1j3x h PRO 6 Cb 1.26 0.09 -0.42 0.00 0.13 0.00 0.00 31.00 32.07 1j3x h PRO 6 CO 0.52 1.08 -0.91 0.09 -0.23 0.00 0.00 178.00 178.55 1j3x n ASN 7 N -4.20 3.70 -3.17 1.44 3.02 -1.26 -4.94 115.26 109.85 1j3x n ASN 7 Ca -0.08 -3.26 0.01 0.00 -0.03 0.00 0.00 54.58 51.22 1j3x n ASN 7 Cb 0.62 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1j3x n ASN 7 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3x s LYS 8 N -3.54 0.74 0.76 3.52 1.02 -1.26 -5.04 119.74 115.94 1j3x s LYS 8 Ca 0.42 -0.16 -0.11 0.00 0.02 0.00 0.00 55.97 56.14 1j3x s LYS 8 Cb 0.40 0.11 0.05 0.00 -0.52 0.00 0.00 37.83 37.87 1j3x s LYS 8 CO -0.05 -1.10 1.08 -1.25 -0.92 0.00 0.00 175.35 173.12 1j3x s PRO 9 N 1.97 2.36 -0.16 -1.68 0.04 -1.26 -3.64 135.00 132.61 1j3x s PRO 9 Ca 0.15 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 1j3x s PRO 9 Cb -0.04 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.65 1j3x s PRO 9 CO -0.10 -1.51 0.22 0.50 0.04 0.00 0.00 177.00 176.15 1j3x s ARG 10 N -5.00 0.15 -0.37 4.56 3.00 -1.26 -4.85 118.95 115.18 1j3x s ARG 10 Ca 0.60 0.38 0.11 0.00 -1.00 0.00 0.00 55.73 55.82 1j3x s ARG 10 Cb -0.16 -0.80 0.40 0.00 0.00 0.00 0.00 34.95 34.40 1j3x s ARG 10 CO 0.55 -0.51 1.43 0.41 0.00 0.00 0.00 175.30 177.18 1j3x n GLY 11 N 5.33 1.68 0.00 8.12 0.00 -1.26 -3.99 105.19 115.06 1j3x n GLY 11 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1j3x n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3x n LYS 12 N -1.02 1.53 -4.49 1.61 5.02 -1.26 -5.02 118.16 114.52 1j3x n LYS 12 Ca -0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.95 1j3x n LYS 12 Cb 0.86 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.79 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j3x s MET 13 N -1.55 1.92 -0.35 1.97 -1.94 -1.26 -5.07 119.30 113.02 1j3x s MET 13 Ca 0.00 -2.17 0.14 0.00 -1.71 0.00 0.00 55.69 51.95 1j3x s MET 13 Cb 0.00 -0.51 0.42 0.00 2.01 0.00 0.00 34.83 36.75 1j3x s MET 13 CO 0.00 -0.50 1.36 0.45 -0.01 0.00 0.00 175.02 176.31 1j3x n SER 14 N -1.34 -0.85 0.00 3.03 2.88 -1.26 -4.82 113.62 111.25 1j3x n SER 14 Ca -0.05 -2.33 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 1j3x n SER 14 Cb 0.65 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 64.60 1j3x n SER 14 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j3x n SER 15 N -0.93 0.00 0.27 -3.46 3.41 -1.25 -4.20 113.62 107.45 1j3x n SER 15 Ca -0.06 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1j3x n SER 15 Cb 0.85 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.52 1j3x n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1j3x h TYR 16 N 0.00 0.00 0.00 7.33 5.03 -1.95 -1.11 116.97 126.27 1j3x h TYR 16 Ca 0.00 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 1j3x h TYR 16 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1j3x h TYR 16 CO 0.00 0.03 -0.70 0.00 -1.32 0.00 0.00 178.16 176.17 1j3x h ALA 17 N 1.97 0.79 0.00 1.82 0.00 -1.95 -3.15 119.26 118.74 1j3x h ALA 17 Ca -0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 54.08 1j3x h ALA 17 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1j3x h ALA 17 CO 0.00 0.87 -0.96 0.74 0.00 0.00 0.00 179.25 179.90 1j3x h PHE 18 N 0.00 0.00 -0.01 0.00 0.04 -1.57 -2.66 116.94 112.74 1j3x h PHE 18 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1j3x h PHE 18 Cb 1.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.42 1j3x h PHE 18 CO 0.00 0.88 0.00 0.35 -0.60 0.00 0.00 178.31 178.94 1j3x h PHE 19 N 0.00 0.01 0.00 -0.55 3.57 -1.31 0.08 116.94 118.74 1j3x h PHE 19 Ca -0.04 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1j3x h PHE 19 Cb 1.70 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 1j3x h PHE 19 CO 0.00 0.26 -0.58 0.28 -2.23 0.00 0.00 178.31 176.04 1j3x h VAL 20 N -0.24 1.27 0.00 1.41 2.07 -1.66 0.65 116.25 119.75 1j3x h VAL 20 Ca 0.00 -2.09 -0.13 0.00 0.82 0.00 0.00 66.70 65.30 1j3x h VAL 20 Cb 0.25 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1j3x h VAL 20 CO 0.00 0.57 -0.61 1.56 0.02 0.00 0.00 177.57 179.10 1j3x h GLN 21 N 0.00 0.00 0.00 1.57 1.08 -1.34 -1.63 115.11 114.80 1j3x h GLN 21 Ca -0.01 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 1j3x h GLN 21 Cb 1.13 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.51 1j3x h GLN 21 CO 0.08 0.61 -1.91 2.41 -0.95 0.00 0.00 178.83 179.07 1j3x n THR 22 N -3.60 1.25 0.08 -0.54 -1.04 0.00 -3.85 114.28 106.57 1j3x n THR 22 Ca -0.00 -0.76 -0.04 0.00 -2.04 0.00 0.00 64.05 61.21 1j3x n THR 22 Cb 0.66 -0.63 -0.08 0.00 -1.82 0.00 0.00 70.33 68.46 1j3x n THR 22 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1j3x h SER 23 N 0.00 0.00 0.10 8.00 0.02 -0.90 -3.20 113.55 117.58 1j3x h SER 23 Ca -0.32 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.42 1j3x h SER 23 Cb 1.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1j3x h SER 23 CO 0.04 0.83 -0.77 -0.09 -1.14 0.00 0.00 176.83 175.70 1j3x h ARG 24 N 0.00 0.56 0.05 3.45 1.12 -1.46 -2.37 114.38 115.73 1j3x h ARG 24 Ca -0.04 -0.47 -0.00 0.00 -1.11 0.00 0.00 59.98 58.36 1j3x h ARG 24 Cb 1.66 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.73 1j3x h ARG 24 CO 0.10 1.09 -0.02 0.93 -3.11 0.00 0.00 179.97 178.96 1j3x h GLU 25 N 0.38 -0.06 0.00 0.20 5.08 -1.67 -2.34 114.58 116.17 1j3x h GLU 25 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1j3x h GLU 25 Cb 1.37 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 1j3x h GLU 25 CO 0.14 0.21 -0.12 1.49 -1.00 0.00 0.00 179.01 179.74 1j3x h GLU 26 N -0.34 0.00 -0.16 2.33 4.81 -1.62 -2.79 114.58 116.81 1j3x h GLU 26 Ca -0.01 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 1j3x h GLU 26 Cb 0.30 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1j3x h GLU 26 CO 0.01 0.12 -0.72 1.25 -0.73 0.00 0.00 179.01 178.94 1j3x h HIS 27 N 0.00 1.03 0.00 0.92 2.76 -1.14 -3.11 115.15 115.61 1j3x h HIS 27 Ca -0.00 -0.45 -0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1j3x h HIS 27 Cb 0.38 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 1j3x h HIS 27 CO 0.00 1.27 -0.00 -0.22 -1.30 0.00 0.00 177.93 177.68 1j3x h LYS 28 N 0.49 0.00 0.00 5.26 3.64 -1.15 -2.20 116.57 122.61 1j3x h LYS 28 Ca -0.04 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1j3x h LYS 28 Cb 1.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1j3x h LYS 28 CO 0.15 0.00 -0.41 0.87 -2.27 0.00 0.00 179.45 177.80 1j3x h LYS 29 N 0.00 0.00 -0.06 1.90 1.57 -1.46 -3.29 116.57 115.23 1j3x h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3x h LYS 29 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1j3x h LYS 29 CO 0.00 0.41 0.00 0.36 -0.57 0.00 0.00 179.45 179.65 1j3x n LYS 30 N -3.26 1.91 -3.25 3.15 2.85 -1.06 -4.84 118.16 113.66 1j3x n LYS 30 Ca 0.02 -2.41 -0.22 0.00 -1.05 0.00 0.00 58.31 54.65 1j3x n LYS 30 Cb 0.65 -1.46 -0.07 0.00 -0.65 0.00 0.00 35.03 33.50 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1j3x n HIS 31 N -1.04 -1.51 -0.02 5.58 8.25 -0.85 -4.98 115.22 120.66 1j3x n HIS 31 Ca 0.14 -2.92 -0.17 0.00 -0.26 0.00 0.00 57.72 54.51 1j3x n HIS 31 Cb 0.60 0.49 -0.09 0.00 1.12 0.00 0.00 29.99 32.11 1j3x n HIS 31 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j3x h PRO 32 N 5.38 0.59 -2.45 -0.41 0.13 -1.87 -3.35 132.00 130.01 1j3x h PRO 32 Ca 0.21 -0.51 -0.70 0.00 -0.87 0.00 0.00 66.00 64.13 1j3x h PRO 32 Cb 0.95 0.11 -0.35 0.00 0.13 0.00 0.00 31.00 31.84 1j3x h PRO 32 CO 0.31 1.13 0.14 -0.40 -0.23 0.00 0.00 178.00 178.95 1j3x n ASP 33 N -4.13 5.41 -3.68 1.44 5.75 -1.26 -4.98 116.55 115.11 1j3x n ASP 33 Ca -0.08 -3.53 -0.09 0.00 -0.01 0.00 0.00 54.79 51.08 1j3x n ASP 33 Cb 0.67 -0.93 -0.10 0.00 -1.03 0.00 0.00 41.12 39.73 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1j3x s SER 34 N -2.24 -0.54 -0.00 -1.12 0.15 -1.26 -5.14 113.70 103.55 1j3x s SER 34 Ca 0.39 1.02 -0.27 0.00 0.70 0.00 0.00 55.95 57.79 1j3x s SER 34 Cb 0.15 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.46 1j3x s SER 34 CO -0.02 -0.21 0.85 -0.44 1.20 0.00 0.00 173.24 174.63 1j3x s SER 35 N 1.77 7.23 -0.39 5.45 0.01 -1.26 -4.99 113.70 121.53 1j3x s SER 35 Ca -0.08 1.49 0.10 0.00 1.31 0.00 0.00 55.95 58.77 1j3x s SER 35 Cb -0.09 -2.50 0.30 0.00 0.21 0.00 0.00 66.02 63.93 1j3x s SER 35 CO -0.14 -0.15 0.65 0.55 0.41 0.00 0.00 173.24 174.56 1j3x n VAL 36 N 3.56 -0.41 -0.00 3.43 3.14 -1.26 -5.00 118.33 121.78 1j3x n VAL 36 Ca 0.02 -4.07 -0.00 0.00 -2.96 0.00 0.00 64.34 57.33 1j3x n VAL 36 Cb 0.51 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 32.34 1j3x n VAL 36 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1j3x n ASN 37 N 0.89 -1.90 -0.10 6.55 0.23 -1.26 -4.60 115.26 115.06 1j3x n ASN 37 Ca 0.22 -0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.15 1j3x n ASN 37 Cb 0.60 -0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.26 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1j3x h PHE 38 N -1.95 0.73 -0.19 -2.53 0.04 -2.00 -2.81 116.94 108.23 1j3x h PHE 38 Ca -0.00 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.52 1j3x h PHE 38 Cb 0.00 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1j3x h PHE 38 CO 0.00 0.86 -0.14 0.00 -0.60 0.00 0.00 178.31 178.43 1j3x h ALA 39 N 0.76 0.28 0.00 2.45 0.00 -1.96 1.59 119.26 122.37 1j3x h ALA 39 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1j3x h ALA 39 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1j3x h ALA 39 CO 0.04 0.16 0.00 0.93 0.00 0.00 0.00 179.25 180.38 1j3x h GLU 40 N 0.12 0.00 0.00 0.00 5.08 -1.88 -2.64 114.58 115.25 1j3x h GLU 40 Ca 0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1j3x h GLU 40 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1j3x h GLU 40 CO 0.04 0.00 -1.57 0.34 -1.00 0.00 0.00 179.01 176.81 1j3x n PHE 41 N -2.54 0.00 0.28 4.33 7.35 -1.02 -4.44 117.46 121.42 1j3x n PHE 41 Ca -0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.08 -0.38 0.94 0.00 0.35 0.00 0.00 39.48 40.47 1j3x n PHE 41 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1j3x h SER 42 N -0.16 0.00 1.30 -2.13 4.64 0.23 0.11 113.55 117.53 1j3x h SER 42 Ca -0.24 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.96 1j3x h SER 42 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1j3x h SER 42 CO -0.09 0.00 -0.73 0.11 -0.87 0.00 0.00 176.83 175.25 1j3x h LYS 43 N 0.00 0.00 0.13 4.77 1.79 -1.65 -3.30 116.57 118.31 1j3x h LYS 43 Ca 0.04 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.24 1j3x h LYS 43 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1j3x h LYS 43 CO -0.00 0.44 -1.35 -0.22 -1.08 0.00 0.00 179.45 177.23 1j3x h LYS 44 N 0.00 0.28 -0.14 3.15 1.63 -1.02 -3.34 116.57 117.14 1j3x h LYS 44 Ca -0.04 -0.49 0.04 0.00 -0.85 0.00 0.00 60.65 59.31 1j3x h LYS 44 Cb 1.42 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 33.22 1j3x h LYS 44 CO 0.06 1.23 0.11 0.00 -3.45 0.00 0.00 179.45 177.40 1j3x h SER 46 N 0.00 0.36 0.19 0.00 4.64 -1.67 0.57 113.55 117.63 1j3x h SER 46 Ca 0.07 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 1j3x h SER 46 Cb 0.29 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1j3x h SER 46 CO -0.00 0.63 -0.50 -0.33 -0.87 0.00 0.00 176.83 175.75 1j3x h GLU 47 N 0.32 0.36 0.00 4.77 4.39 -1.30 -1.69 114.58 121.43 1j3x h GLU 47 Ca 0.05 -0.21 -0.24 0.00 0.34 0.00 0.00 59.36 59.30 1j3x h GLU 47 Cb 0.64 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1j3x h GLU 47 CO 0.05 0.78 -1.56 0.00 -1.16 0.00 0.00 179.01 177.12 1j3x h ARG 48 N 0.28 0.00 -0.03 2.33 2.47 -1.36 -3.10 114.38 114.98 1j3x h ARG 48 Ca 0.01 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.54 1j3x h ARG 48 Cb 0.99 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 1j3x h ARG 48 CO 0.08 0.42 -0.80 2.35 0.56 0.00 0.00 179.97 182.58 1j3x h TRP 49 N 0.00 0.38 0.00 3.04 2.91 0.17 -2.08 115.95 120.37 1j3x h TRP 49 Ca -0.23 -0.19 -0.19 0.00 1.13 0.00 0.00 58.89 59.42 1j3x h TRP 49 Cb 1.83 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 30.40 1j3x h TRP 49 CO 0.00 0.96 -1.02 0.87 -1.03 0.00 0.00 178.44 178.22 1j3x h LYS 50 N 0.17 0.00 0.00 2.65 1.57 -1.45 -3.30 116.57 116.21 1j3x h LYS 50 Ca -0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1j3x h LYS 50 Cb 1.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 1j3x h LYS 50 CO 0.13 0.67 -0.74 1.79 -0.57 0.00 0.00 179.45 180.73 1j3x h THR 51 N 0.00 0.99 -3.64 -0.16 1.35 -1.55 -3.46 112.91 106.44 1j3x h THR 51 Ca -0.07 -2.44 -0.48 0.00 -0.55 0.00 0.00 66.41 62.87 1j3x h THR 51 Cb 1.67 2.46 0.21 0.00 -1.73 0.00 0.00 68.15 70.76 1j3x h THR 51 CO 0.09 0.56 0.02 0.23 -0.25 0.00 0.00 175.52 176.18 1j3x n MET 52 N -3.20 -1.52 -3.10 4.72 2.81 -0.78 -5.03 117.12 111.01 1j3x n MET 52 Ca -0.00 -0.40 -0.19 0.00 -1.81 0.00 0.00 57.70 55.30 1j3x n MET 52 Cb 0.79 -2.23 0.04 0.00 -0.71 0.00 0.00 33.22 31.12 1j3x n MET 52 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x s SER 53 N -2.47 5.23 0.45 7.83 0.15 -1.26 -4.91 113.70 118.72 1j3x s SER 53 Ca 0.67 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.81 1j3x s SER 53 Cb -0.24 0.00 1.03 0.00 -1.71 0.00 0.00 66.02 65.10 1j3x s SER 53 CO 0.62 -1.14 1.88 0.00 1.20 0.00 0.00 173.24 175.80 1j3x h ALA 54 N 0.38 1.09 -0.07 5.45 0.00 -1.96 0.22 119.26 124.36 1j3x h ALA 54 Ca -0.33 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1j3x h ALA 54 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1j3x h ALA 54 CO 0.44 0.27 -0.37 0.87 0.00 0.00 0.00 179.25 180.46 1j3x h LYS 55 N 0.00 0.15 0.06 0.00 1.57 -1.99 -0.86 116.57 115.49 1j3x h LYS 55 Ca -0.00 -0.06 -0.37 0.00 -1.87 0.00 0.00 60.65 58.34 1j3x h LYS 55 Cb 0.66 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1j3x h LYS 55 CO 0.03 0.50 -2.19 0.39 -0.57 0.00 0.00 179.45 177.61 1j3x n GLU 56 N -4.07 0.69 0.29 3.15 1.02 -1.05 -4.17 120.64 116.49 1j3x n GLU 56 Ca -0.01 0.24 0.17 0.00 -0.02 0.00 0.00 57.16 57.54 1j3x n GLU 56 Cb 0.43 -1.62 0.83 0.00 -0.02 0.00 0.00 31.44 31.06 1j3x n GLU 56 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j3x h LYS 57 N -0.10 0.00 0.00 3.49 1.57 -0.99 -2.47 116.57 118.06 1j3x h LYS 57 Ca -0.50 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.14 1j3x h LYS 57 Cb 1.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 1j3x h LYS 57 CO -0.04 0.04 -0.63 0.66 -0.57 0.00 0.00 179.45 178.91 1j3x h SER 58 N 0.00 0.00 0.09 0.86 4.64 -1.31 -3.00 113.55 114.82 1j3x h SER 58 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1j3x h SER 58 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1j3x h SER 58 CO 0.01 0.63 -0.08 0.50 -0.87 0.00 0.00 176.83 177.02 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.61 -1.40 116.57 121.97 1j3x h LYS 59 Ca -0.01 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1j3x h LYS 59 Cb 1.15 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1j3x h LYS 59 CO 0.08 0.08 -1.16 0.74 -2.27 0.00 0.00 179.45 176.92 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.65 -3.20 116.94 114.03 1j3x h PHE 60 Ca -0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1j3x h PHE 60 Cb 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1j3x h PHE 60 CO 0.00 0.92 -0.72 0.93 -0.60 0.00 0.00 178.31 178.85 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.39 -1.29 -2.88 114.58 116.30 1j3x h GLU 61 Ca -0.09 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.46 1j3x h GLU 61 Cb 1.78 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.41 1j3x h GLU 61 CO 0.11 0.72 -0.69 0.22 -1.16 0.00 0.00 179.01 178.20 1j3x h ASP 62 N 0.00 0.00 0.99 1.42 3.58 -1.36 -2.69 116.42 118.36 1j3x h ASP 62 Ca -0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 1j3x h ASP 62 Cb 1.36 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.38 1j3x h ASP 62 CO 0.09 0.69 -0.89 0.24 -2.88 0.00 0.00 179.24 176.49 1j3x h MET 63 N 0.00 0.00 0.06 0.28 2.86 -1.54 -3.13 114.93 113.47 1j3x h MET 63 Ca -0.01 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 1j3x h MET 63 Cb 1.33 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.00 1j3x h MET 63 CO 0.09 0.89 -1.09 0.00 1.06 0.00 0.00 176.91 177.86 1j3x h ALA 64 N 1.11 0.22 0.00 6.32 0.00 -1.49 -3.22 119.26 122.19 1j3x h ALA 64 Ca -0.01 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 1j3x h ALA 64 Cb 1.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1j3x h ALA 64 CO 0.12 0.84 -0.34 -0.22 0.00 0.00 0.00 179.25 179.64 1j3x h LYS 65 N 0.19 0.00 -0.75 0.00 3.64 -1.54 -1.28 116.57 116.83 1j3x h LYS 65 Ca -0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1j3x h LYS 65 Cb 1.76 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.54 1j3x h LYS 65 CO 0.19 0.34 0.36 1.03 -2.27 0.00 0.00 179.45 179.11 1j3x h SER 66 N 0.00 0.97 0.72 4.20 0.87 -1.55 -0.07 113.55 118.68 1j3x h SER 66 Ca -0.00 -0.11 -0.26 0.00 -1.23 0.00 0.00 61.79 60.20 1j3x h SER 66 Cb 0.62 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1j3x h SER 66 CO 0.04 0.81 -1.39 0.44 -0.53 0.00 0.00 176.83 176.21 1j3x h ASP 67 N 1.06 0.01 0.26 6.23 5.19 -1.58 -3.20 116.42 124.39 1j3x h ASP 67 Ca 0.26 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.52 1j3x h ASP 67 Cb 0.10 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1j3x h ASP 67 CO -0.03 1.01 -0.53 0.50 -3.12 0.00 0.00 179.24 177.07 1j3x h LYS 68 N 0.00 0.29 0.00 3.56 3.11 -0.96 -2.97 116.57 119.60 1j3x h LYS 68 Ca -0.16 -0.17 -0.14 0.00 -2.81 0.00 0.00 60.65 57.37 1j3x h LYS 68 Cb 1.90 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.13 1j3x h LYS 68 CO 0.10 0.75 -0.66 0.00 -2.81 0.00 0.00 179.45 176.83 1j3x h ALA 69 N 1.22 0.72 -0.56 5.00 0.00 -1.12 -3.13 119.26 121.39 1j3x h ALA 69 Ca 0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 1j3x h ALA 69 Cb 1.00 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1j3x h ALA 69 CO 0.08 0.83 0.18 -2.13 0.00 0.00 0.00 179.25 178.21 1j3x n ARG 70 N -3.48 3.29 -0.02 0.00 0.63 -1.14 -4.09 116.66 111.85 1j3x n ARG 70 Ca 0.00 -2.39 -0.01 0.00 -0.92 0.00 0.00 57.85 54.53 1j3x n ARG 70 Cb 0.72 -2.03 -0.05 0.00 0.45 0.00 0.00 32.46 31.55 1j3x n ARG 70 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1j3x n TYR 71 N 0.04 0.00 0.24 -0.14 9.36 -1.14 -4.58 117.16 120.93 1j3x n TYR 71 Ca 0.30 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.59 1j3x n TYR 71 Cb 1.14 -0.22 0.57 0.00 -0.63 0.00 0.00 39.34 40.19 1j3x n TYR 71 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1j3x h ASP 72 N 0.00 0.00 0.29 2.98 1.82 -1.71 -1.96 116.42 117.84 1j3x h ASP 72 Ca -0.09 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.40 1j3x h ASP 72 Cb 0.93 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.93 1j3x h ASP 72 CO 0.01 0.11 -0.59 0.03 -1.61 0.00 0.00 179.24 177.18 1j3x h ARG 73 N 0.00 0.31 0.00 0.28 -0.00 -1.82 -3.01 114.38 110.13 1j3x h ARG 73 Ca -0.00 -0.21 -0.12 0.00 -0.50 0.00 0.00 59.98 59.16 1j3x h ARG 73 Cb 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.18 1j3x h ARG 73 CO 0.01 0.81 -0.55 1.49 0.00 0.00 0.00 179.97 181.73 1j3x h GLU 74 N 0.23 0.00 0.00 0.04 4.57 -1.61 -2.97 114.58 114.84 1j3x h GLU 74 Ca -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1j3x h GLU 74 Cb 1.10 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 1j3x h GLU 74 CO 0.10 0.55 -0.54 0.52 -1.18 0.00 0.00 179.01 178.46 1j3x h MET 75 N 0.00 0.00 -7.17 1.92 2.86 -1.36 -3.44 114.93 107.74 1j3x h MET 75 Ca -0.01 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.11 1j3x h MET 75 Cb 1.01 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.79 1j3x h MET 75 CO 0.07 0.54 0.40 0.15 1.06 0.00 0.00 176.91 179.13 1j3x s LYS 76 N -3.69 2.59 0.00 1.72 -0.14 -1.12 -4.96 119.74 114.14 1j3x s LYS 76 Ca -0.01 1.62 0.00 0.00 -1.36 0.00 0.00 55.97 56.22 1j3x s LYS 76 Cb 0.13 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 1j3x s LYS 76 CO 0.74 -1.45 0.00 -1.71 -0.76 0.00 0.00 175.35 172.17