#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x s GLY 2 N 0.00 -0.44 -0.53 3.03 0.00 -1.26 -4.76 107.32 103.36 1j3x s GLY 2 Ca 0.00 2.02 0.01 0.00 0.00 0.00 0.00 44.72 46.75 1j3x s GLY 2 CO 0.00 1.53 1.96 0.28 0.00 0.00 0.00 173.10 176.87 1j3x n LYS 3 N 2.02 2.39 -0.10 2.90 5.02 -1.26 -4.41 118.16 124.73 1j3x n LYS 3 Ca -0.14 -2.94 -0.21 0.00 -2.02 0.00 0.00 58.31 53.00 1j3x n LYS 3 Cb 0.56 -2.15 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 1j3x n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j3x n GLY 4 N -0.88 -0.35 3.73 0.72 0.00 -1.26 -5.04 105.19 102.11 1j3x n GLY 4 Ca 0.57 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 1j3x n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j3x s ASP 5 N -6.77 4.65 0.05 1.61 1.11 -1.25 -5.04 116.67 111.03 1j3x s ASP 5 Ca -0.28 -0.79 -0.18 0.00 0.18 0.00 0.00 52.55 51.48 1j3x s ASP 5 Cb 0.10 -0.72 -0.18 0.00 1.07 0.00 0.00 42.92 43.20 1j3x s ASP 5 CO 0.36 -0.30 1.23 1.55 1.18 0.00 0.00 175.17 179.20 1j3x h PRO 6 N 1.56 0.54 -0.68 8.23 0.13 -1.95 -3.36 132.00 136.46 1j3x h PRO 6 Ca -0.44 -0.44 -0.40 0.00 -0.87 0.00 0.00 66.00 63.85 1j3x h PRO 6 Cb 1.25 0.09 -0.41 0.00 0.13 0.00 0.00 31.00 32.06 1j3x h PRO 6 CO 0.63 1.07 -0.97 0.09 -0.23 0.00 0.00 178.00 178.59 1j3x n ASN 7 N -4.21 3.17 -3.69 1.44 3.02 -1.26 -5.07 115.26 108.65 1j3x n ASN 7 Ca -0.08 -2.90 -0.10 0.00 -0.03 0.00 0.00 54.58 51.47 1j3x n ASN 7 Cb 0.61 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 -3.65 1.36 0.84 3.52 1.02 -1.26 -5.17 119.74 116.39 1j3x s LYS 8 Ca 0.38 -0.80 -0.14 0.00 0.02 0.00 0.00 55.97 55.43 1j3x s LYS 8 Cb 0.37 0.53 0.20 0.00 -0.52 0.00 0.00 37.83 38.42 1j3x s LYS 8 CO -0.01 -0.58 0.83 -0.35 -0.92 0.00 0.00 175.35 174.32 1j3x n PRO 9 N -0.34 -2.11 -2.82 -1.68 -0.04 -1.26 -3.86 135.00 122.88 1j3x n PRO 9 Ca -0.11 -1.32 -0.22 0.00 -0.04 0.00 0.00 63.50 61.81 1j3x n PRO 9 Cb 0.63 -1.12 0.02 0.00 -0.04 0.00 0.00 33.50 32.99 1j3x n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1j3x s ARG 10 N -4.87 2.80 0.00 0.54 3.52 -1.26 -4.15 118.95 115.53 1j3x s ARG 10 Ca 0.52 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1j3x s ARG 10 Cb -0.04 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1j3x s ARG 10 CO 0.39 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 1j3x n GLY 11 N -2.19 -1.01 0.00 8.12 0.00 -1.26 -5.02 105.19 103.82 1j3x n GLY 11 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.94 -1.86 1.61 5.02 -1.26 -4.98 118.16 118.63 1j3x n LYS 12 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1j3x n LYS 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1j3x n MET 13 N -0.31 1.47 -3.85 1.97 2.81 -1.26 -5.00 117.12 112.94 1j3x n MET 13 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1j3x n MET 13 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x s SER 14 N -0.86 -0.19 0.31 7.83 0.15 -1.26 -4.76 113.70 114.92 1j3x s SER 14 Ca 0.00 -0.66 0.14 0.00 0.70 0.00 0.00 55.95 56.13 1j3x s SER 14 Cb 0.00 0.60 0.47 0.00 -1.71 0.00 0.00 66.02 65.38 1j3x s SER 14 CO 0.00 -1.12 1.65 0.77 1.20 0.00 0.00 173.24 175.74 1j3x h SER 15 N 2.20 0.00 0.86 5.45 4.64 -1.93 -2.93 113.55 121.83 1j3x h SER 15 Ca -0.26 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.91 1j3x h SER 15 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1j3x h SER 15 CO 0.35 0.52 -0.72 0.22 -0.87 0.00 0.00 176.83 176.33 1j3x h TYR 16 N 0.00 0.00 0.00 4.77 3.20 -1.96 -2.83 116.97 120.15 1j3x h TYR 16 Ca -0.01 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 1j3x h TYR 16 Cb 1.03 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1j3x h TYR 16 CO 0.00 0.72 -0.75 0.00 -1.64 0.00 0.00 178.16 176.49 1j3x h ALA 17 N 1.28 0.73 0.00 1.82 0.00 -1.93 -3.16 119.26 117.99 1j3x h ALA 17 Ca -0.01 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 1j3x h ALA 17 Cb 1.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1j3x h ALA 17 CO 0.09 0.94 -0.83 0.74 0.00 0.00 0.00 179.25 180.19 1j3x h PHE 18 N 0.00 0.00 -0.20 0.00 0.04 -1.48 -2.79 116.94 112.51 1j3x h PHE 18 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1j3x h PHE 18 Cb 1.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.50 1j3x h PHE 18 CO 0.00 0.83 0.11 0.35 -0.60 0.00 0.00 178.31 179.00 1j3x h PHE 19 N 0.00 0.28 -0.00 -0.55 3.04 -1.47 0.01 116.94 118.25 1j3x h PHE 19 Ca -0.01 -0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.80 1j3x h PHE 19 Cb 1.55 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.95 1j3x h PHE 19 CO 0.00 0.27 -0.64 0.28 -2.02 0.00 0.00 178.31 176.20 1j3x h VAL 20 N 0.21 1.46 0.00 1.41 2.07 -1.63 0.89 116.25 120.67 1j3x h VAL 20 Ca 0.07 -2.20 -0.11 0.00 0.82 0.00 0.00 66.70 65.28 1j3x h VAL 20 Cb 0.09 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1j3x h VAL 20 CO -0.01 0.63 -0.53 1.56 0.02 0.00 0.00 177.57 179.24 1j3x h GLN 21 N 0.00 0.00 0.00 1.57 1.08 -1.19 0.58 115.11 117.16 1j3x h GLN 21 Ca -0.01 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 1j3x h GLN 21 Cb 1.14 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.52 1j3x h GLN 21 CO 0.08 0.53 -1.93 2.41 -0.95 0.00 0.00 178.83 178.98 1j3x n THR 22 N -3.77 1.33 0.07 -0.54 -1.04 -0.04 -3.62 114.28 106.68 1j3x n THR 22 Ca -0.01 -0.78 -0.16 0.00 -2.04 0.00 0.00 64.05 61.06 1j3x n THR 22 Cb 0.57 -0.69 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 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 0.37 0.09 8.00 0.02 -0.81 -3.30 113.55 117.91 1j3x h SER 23 Ca -0.34 -0.48 -0.15 0.00 -0.84 0.00 0.00 61.79 59.97 1j3x h SER 23 Cb 1.95 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1j3x h SER 23 CO 0.05 1.40 -0.53 -0.09 -1.14 0.00 0.00 176.83 176.52 1j3x h ARG 24 N 0.06 0.49 -0.79 3.45 2.43 -1.06 -2.83 114.38 116.13 1j3x h ARG 24 Ca -0.21 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1j3x h ARG 24 Cb 2.00 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.54 1j3x h ARG 24 CO 0.17 0.90 0.52 0.93 -1.51 0.00 0.00 179.97 180.97 1j3x h GLU 25 N 0.38 1.02 -0.69 0.20 5.08 -1.67 -0.50 114.58 118.40 1j3x h GLU 25 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1j3x h GLU 25 Cb 1.05 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1j3x h GLU 25 CO 0.10 0.67 0.00 -1.91 -1.00 0.00 0.00 179.01 176.87 1j3x n GLU 26 N -4.42 3.85 -0.09 2.33 2.13 -1.15 -4.26 120.64 119.04 1j3x n GLU 26 Ca 0.09 -2.32 -0.18 0.00 0.66 0.00 0.00 57.16 55.41 1j3x n GLU 26 Cb 0.04 -2.06 -0.06 0.00 0.27 0.00 0.00 31.44 29.64 1j3x n GLU 26 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1j3x n HIS 27 N 0.47 0.00 0.10 4.31 -0.00 -0.21 -4.46 115.22 115.44 1j3x n HIS 27 Ca 0.20 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.43 1j3x n HIS 27 Cb 0.94 -0.64 0.49 0.00 -0.12 0.00 0.00 29.99 30.66 1j3x n HIS 27 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1j3x h LYS 28 N -0.74 0.33 0.00 1.57 3.64 -1.72 0.14 116.57 119.77 1j3x h LYS 28 Ca -0.38 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1j3x h LYS 28 Cb 1.26 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1j3x h LYS 28 CO -0.23 0.25 -0.04 0.87 -2.27 0.00 0.00 179.45 178.02 1j3x h LYS 29 N 0.33 0.00 0.00 1.90 1.57 -1.80 -2.80 116.57 115.77 1j3x h LYS 29 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1j3x h LYS 29 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1j3x h LYS 29 CO -0.01 0.04 -0.07 0.36 -0.57 0.00 0.00 179.45 179.20 1j3x n LYS 30 N -3.82 1.56 -3.12 3.15 2.85 -0.48 -4.85 118.16 113.45 1j3x n LYS 30 Ca -0.03 -1.78 -0.20 0.00 -1.05 0.00 0.00 58.31 55.25 1j3x n LYS 30 Cb 0.13 -1.09 -0.04 0.00 -0.65 0.00 0.00 35.03 33.38 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 -0.77 -0.69 0.03 5.58 8.25 0.36 -4.94 115.22 123.03 1j3x n HIS 31 Ca 0.07 -3.35 -0.11 0.00 -0.26 0.00 0.00 57.72 54.07 1j3x n HIS 31 Cb 0.50 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.56 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 3.76 0.49 0.08 -0.41 0.13 -1.85 -3.24 132.00 130.97 1j3x h PRO 32 Ca 0.04 -0.38 -0.26 0.00 -0.87 0.00 0.00 66.00 64.53 1j3x h PRO 32 Cb 0.92 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1j3x h PRO 32 CO 0.44 1.01 -1.23 -0.44 -0.23 0.00 0.00 178.00 177.55 1j3x h ASP 33 N 0.35 0.28 -3.26 1.44 3.32 -1.94 -3.44 116.42 113.15 1j3x h ASP 33 Ca -0.03 -0.31 -0.57 0.00 0.02 0.00 0.00 57.03 56.14 1j3x h ASP 33 Cb 1.28 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1j3x h ASP 33 CO 0.13 1.25 -0.02 -0.44 -1.72 0.00 0.00 179.24 178.43 1j3x s SER 34 N -6.95 7.05 0.02 6.45 0.01 -1.22 -5.08 113.70 113.97 1j3x s SER 34 Ca -0.03 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1j3x s SER 34 Cb 0.08 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1j3x s SER 34 CO 0.86 0.22 0.00 -1.20 0.41 0.00 0.00 173.24 173.53 1j3x n SER 35 N 2.00 0.00 -2.73 2.44 7.64 -1.26 -4.83 113.62 116.88 1j3x n SER 35 Ca -0.09 -0.96 -0.07 0.00 1.01 0.00 0.00 58.87 58.76 1j3x n SER 35 Cb 0.51 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 1j3x n SER 35 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1j3x n VAL 36 N -0.98 0.00 -1.10 0.44 3.14 -1.26 -4.98 118.33 113.59 1j3x n VAL 36 Ca 0.00 -1.24 -0.33 0.00 -2.96 0.00 0.00 64.34 59.81 1j3x n VAL 36 Cb 0.00 1.34 -0.02 0.00 -1.06 0.00 0.00 33.84 34.09 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 1.80 6.97 0.00 6.55 6.94 -1.26 -4.82 115.26 131.44 1j3x n ASN 37 Ca 0.09 -2.49 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 1j3x n ASN 37 Cb 0.64 -1.37 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1j3x n PHE 38 N 4.01 0.00 -0.24 -2.53 3.72 -1.26 -4.00 117.46 117.17 1j3x n PHE 38 Ca 0.64 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 58.06 1j3x n PHE 38 Cb 0.20 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.84 1j3x n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j3x h ALA 39 N -0.70 0.56 -0.16 4.37 0.00 -1.96 1.74 119.26 123.10 1j3x h ALA 39 Ca 0.00 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1j3x h ALA 39 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j3x h ALA 39 CO 0.00 -0.42 0.28 0.93 0.00 0.00 0.00 179.25 180.04 1j3x h GLU 40 N 0.04 0.00 0.00 0.00 5.08 -1.90 -1.40 114.58 116.40 1j3x h GLU 40 Ca 0.35 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.36 1j3x h GLU 40 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1j3x h GLU 40 CO -0.67 0.00 -2.32 0.34 -1.00 0.00 0.00 179.01 175.36 1j3x n PHE 41 N -3.44 0.00 0.30 4.33 7.35 0.29 -4.15 117.46 122.15 1j3x n PHE 41 Ca 0.01 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.89 1j3x n PHE 41 Cb 0.38 -0.92 1.01 0.00 0.35 0.00 0.00 39.48 40.30 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 0.00 0.00 0.69 -2.13 4.64 0.32 0.68 113.55 117.74 1j3x h SER 42 Ca -0.52 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.66 1j3x h SER 42 Cb 2.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.07 1j3x h SER 42 CO -0.02 0.00 -1.42 0.29 -0.87 0.00 0.00 176.83 174.81 1j3x n LYS 43 N -3.30 0.62 -0.07 4.77 5.02 -0.86 -3.93 118.16 120.41 1j3x n LYS 43 Ca -0.02 0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 56.24 1j3x n LYS 43 Cb 0.20 -1.79 -0.12 0.00 -0.02 0.00 0.00 35.03 33.30 1j3x n LYS 43 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1j3x h LYS 44 N 0.00 0.08 -0.16 1.97 1.63 -1.22 -3.35 116.57 115.53 1j3x h LYS 44 Ca -0.15 -0.15 0.05 0.00 -0.85 0.00 0.00 60.65 59.55 1j3x h LYS 44 Cb 1.50 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.18 1j3x h LYS 44 CO 0.04 1.07 0.14 0.00 -3.45 0.00 0.00 179.45 177.24 1j3x h SER 46 N 0.00 0.53 -0.14 0.00 4.64 -1.72 0.10 113.55 116.96 1j3x h SER 46 Ca 0.08 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1j3x h SER 46 Cb 0.35 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1j3x h SER 46 CO -0.00 0.92 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.53 1j3x h GLU 47 N 0.39 0.40 0.10 4.77 4.39 -1.30 -0.77 114.58 122.57 1j3x h GLU 47 Ca 0.02 -0.08 -0.27 0.00 0.34 0.00 0.00 59.36 59.37 1j3x h GLU 47 Cb 0.97 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1j3x h GLU 47 CO 0.09 0.45 -1.42 -0.09 -1.16 0.00 0.00 179.01 176.88 1j3x h ARG 48 N 0.39 0.22 -0.44 2.33 9.65 -1.46 -3.11 114.38 121.95 1j3x h ARG 48 Ca 0.09 -0.38 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 1j3x h ARG 48 Cb 0.30 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1j3x h ARG 48 CO 0.01 1.18 0.25 2.35 2.80 0.00 0.00 179.97 186.56 1j3x h TRP 49 N -0.34 0.58 0.00 2.20 2.91 -0.91 0.85 115.95 121.24 1j3x h TRP 49 Ca -0.31 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.62 1j3x h TRP 49 Cb 1.73 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1j3x h TRP 49 CO 0.12 0.41 -0.42 0.87 -1.03 0.00 0.00 178.44 178.39 1j3x h LYS 50 N 0.61 0.00 0.00 2.65 1.79 -1.27 -3.26 116.57 117.09 1j3x h LYS 50 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1j3x h LYS 50 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1j3x h LYS 50 CO -0.03 0.42 -1.33 0.25 -1.08 0.00 0.00 179.45 177.68 1j3x n THR 51 N -3.26 0.00 -1.33 -0.16 -2.24 -0.66 -4.98 114.28 101.64 1j3x n THR 51 Ca 0.02 -0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 1j3x n THR 51 Cb 0.66 0.64 0.10 0.00 -2.10 0.00 0.00 70.33 69.63 1j3x n THR 51 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1j3x n MET 52 N -1.76 0.49 -2.62 -0.78 0.00 0.29 -5.01 117.12 107.73 1j3x n MET 52 Ca 0.01 0.23 -0.23 0.00 0.00 0.00 0.00 57.70 57.71 1j3x n MET 52 Cb 0.40 -2.32 0.09 0.00 0.00 0.00 0.00 33.22 31.40 1j3x n MET 52 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1j3x s SER 53 N -1.74 4.53 0.45 6.12 1.04 -1.26 -4.83 113.70 118.01 1j3x s SER 53 Ca 0.74 -0.34 0.22 0.00 0.48 0.00 0.00 55.95 57.05 1j3x s SER 53 Cb -0.33 -0.12 1.08 0.00 0.10 0.00 0.00 66.02 66.74 1j3x s SER 53 CO 0.49 -1.73 1.93 0.00 0.98 0.00 0.00 173.24 174.91 1j3x h ALA 54 N -0.40 1.23 0.00 5.32 0.00 -1.97 -0.01 119.26 123.44 1j3x h ALA 54 Ca -0.37 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1j3x h ALA 54 Cb 1.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1j3x h ALA 54 CO 0.42 0.29 -0.46 0.87 0.00 0.00 0.00 179.25 180.37 1j3x h LYS 55 N 0.00 0.00 0.00 0.00 1.57 -2.00 -2.24 116.57 113.90 1j3x h LYS 55 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1j3x h LYS 55 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1j3x h LYS 55 CO 0.03 0.46 -1.59 0.39 -0.57 0.00 0.00 179.45 178.17 1j3x n GLU 56 N -3.94 0.56 0.22 3.15 1.02 -0.96 -4.23 120.64 116.46 1j3x n GLU 56 Ca -0.02 0.44 0.18 0.00 -0.02 0.00 0.00 57.16 57.74 1j3x n GLU 56 Cb 0.49 -1.63 0.86 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.00 0.00 0.00 3.49 1.57 -1.11 0.23 116.57 119.75 1j3x h LYS 57 Ca -0.40 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.33 1j3x h LYS 57 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1j3x h LYS 57 CO -0.24 0.00 -0.24 0.66 -0.57 0.00 0.00 179.45 179.05 1j3x h SER 58 N 0.00 0.00 0.54 0.86 4.64 -1.57 -1.46 113.55 116.56 1j3x h SER 58 Ca 0.08 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1j3x h SER 58 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1j3x h SER 58 CO -0.00 0.24 -0.41 0.50 -0.87 0.00 0.00 176.83 176.30 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.14 -2.82 116.57 121.02 1j3x h LYS 59 Ca -0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1j3x h LYS 59 Cb 0.49 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1j3x h LYS 59 CO 0.03 0.41 -1.63 1.19 -2.27 0.00 0.00 179.45 177.17 1j3x n PHE 60 N -3.85 0.92 0.19 1.91 3.72 -0.90 -3.69 117.46 115.76 1j3x n PHE 60 Ca -0.01 0.32 0.05 0.00 -0.05 0.00 0.00 57.45 57.75 1j3x n PHE 60 Cb 0.46 -1.13 0.37 0.00 -0.94 0.00 0.00 39.48 38.25 1j3x n PHE 60 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j3x h GLU 61 N 0.00 0.00 0.01 -1.08 5.08 -1.19 -2.81 114.58 114.60 1j3x h GLU 61 Ca -0.25 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.89 1j3x h GLU 61 Cb 1.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.06 1j3x h GLU 61 CO 0.06 0.38 -1.12 0.22 -1.00 0.00 0.00 179.01 177.55 1j3x h ASP 62 N 0.00 0.03 0.49 1.42 3.58 -1.63 -2.97 116.42 117.34 1j3x h ASP 62 Ca -0.00 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 1j3x h ASP 62 Cb 0.78 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1j3x h ASP 62 CO 0.05 1.03 -0.59 -0.03 -2.88 0.00 0.00 179.24 176.82 1j3x h MET 63 N 0.01 0.10 0.11 0.28 4.05 -1.59 -2.62 114.93 115.26 1j3x h MET 63 Ca -0.06 -0.07 -0.23 0.00 -0.28 0.00 0.00 59.70 59.06 1j3x h MET 63 Cb 1.82 0.01 0.02 0.00 -0.80 0.00 0.00 31.60 32.65 1j3x h MET 63 CO 0.13 0.66 -0.98 0.00 0.23 0.00 0.00 176.91 176.95 1j3x h ALA 64 N 1.32 -0.03 0.00 0.39 0.00 -1.56 -3.25 119.26 116.13 1j3x h ALA 64 Ca -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 1j3x h ALA 64 Cb 1.06 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1j3x h ALA 64 CO 0.08 0.51 -0.19 -0.22 0.00 0.00 0.00 179.25 179.44 1j3x h LYS 65 N -0.02 0.00 -0.57 0.00 1.63 -1.53 0.15 116.57 116.23 1j3x h LYS 65 Ca -0.15 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.57 1j3x h LYS 65 Cb 1.71 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.32 1j3x h LYS 65 CO 0.19 0.19 0.04 1.03 -3.45 0.00 0.00 179.45 177.44 1j3x h SER 66 N 0.00 0.92 0.60 4.20 0.87 -1.50 -1.60 113.55 117.04 1j3x h SER 66 Ca -0.00 -0.23 -0.24 0.00 -1.23 0.00 0.00 61.79 60.08 1j3x h SER 66 Cb 0.36 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1j3x h SER 66 CO 0.02 0.96 -1.56 0.44 -0.53 0.00 0.00 176.83 176.16 1j3x h ASP 67 N 0.89 0.00 0.62 6.23 3.32 -1.50 -3.25 116.42 122.73 1j3x h ASP 67 Ca 0.17 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 1j3x h ASP 67 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1j3x h ASP 67 CO 0.02 0.85 -0.46 0.50 -1.72 0.00 0.00 179.24 178.43 1j3x h LYS 68 N 0.00 0.00 0.00 3.56 3.64 -0.63 -2.99 116.57 120.15 1j3x h LYS 68 Ca -0.23 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1j3x h LYS 68 Cb 1.85 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.66 1j3x h LYS 68 CO 0.07 0.46 -0.80 0.00 -2.27 0.00 0.00 179.45 176.92 1j3x h ALA 69 N 1.54 0.68 -0.61 5.00 0.00 -1.42 -3.32 119.26 121.13 1j3x h ALA 69 Ca -0.00 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1j3x h ALA 69 Cb 0.90 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1j3x h ALA 69 CO 0.06 0.56 0.40 -0.09 0.00 0.00 0.00 179.25 180.18 1j3x h ARG 70 N 0.00 0.63 0.00 0.00 2.43 -1.55 -0.69 114.38 115.20 1j3x h ARG 70 Ca -0.05 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1j3x h ARG 70 Cb 1.35 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1j3x h ARG 70 CO 0.04 0.42 -0.26 -0.92 -1.51 0.00 0.00 179.97 177.74 1j3x h TYR 71 N 0.65 0.00 -0.02 2.20 3.20 -1.67 -1.17 116.97 120.16 1j3x h TYR 71 Ca 0.25 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1j3x h TYR 71 Cb 0.18 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1j3x h TYR 71 CO -0.00 0.26 0.03 0.22 -1.64 0.00 0.00 178.16 177.04 1j3x h ASP 72 N 0.00 0.00 0.00 -2.11 3.58 -1.30 -2.90 116.42 113.69 1j3x h ASP 72 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1j3x h ASP 72 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1j3x h ASP 72 CO 0.03 0.00 -0.73 -2.11 -2.88 0.00 0.00 179.24 173.55 1j3x n ARG 73 N -3.49 2.21 0.37 0.28 1.85 -1.01 -4.44 116.66 112.44 1j3x n ARG 73 Ca -0.03 -0.01 -0.18 0.00 -1.00 0.00 0.00 57.85 56.63 1j3x n ARG 73 Cb 0.11 -0.88 -0.09 0.00 -1.05 0.00 0.00 32.46 30.55 1j3x n ARG 73 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1j3x h GLU 74 N 0.00 -1.00 -1.94 2.89 4.57 -1.00 -3.34 114.58 114.75 1j3x h GLU 74 Ca 0.00 0.07 -0.53 0.00 -1.18 0.00 0.00 59.36 57.72 1j3x h GLU 74 Cb 0.06 0.23 -0.41 0.00 -0.16 0.00 0.00 28.75 28.46 1j3x h GLU 74 CO 0.00 -0.67 -0.89 -1.33 -1.18 0.00 0.00 179.01 174.94 1j3x n MET 75 N -5.56 2.33 -3.42 1.92 2.81 -1.24 -4.99 117.12 108.97 1j3x n MET 75 Ca -0.13 -4.17 -0.20 0.00 -1.81 0.00 0.00 57.70 51.39 1j3x n MET 75 Cb 0.44 -1.97 -0.10 0.00 -0.71 0.00 0.00 33.22 30.88 1j3x n MET 75 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1j3x s LYS 76 N -3.12 0.33 0.00 0.03 1.02 -1.26 -5.06 119.74 111.68 1j3x s LYS 76 Ca 0.44 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1j3x s LYS 76 Cb 0.34 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 1j3x s LYS 76 CO -0.11 -1.04 0.44 0.09 -0.92 0.00 0.00 175.35 173.81