#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 -0.60 3.99 3.17 0.00 -1.26 -4.94 105.19 105.56 1j3x n GLY 2 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1j3x n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3x s LYS 3 N 0.05 2.41 0.50 1.61 1.02 -1.26 -4.80 119.74 119.27 1j3x s LYS 3 Ca 0.06 -1.63 -0.21 0.00 0.02 0.00 0.00 55.97 54.21 1j3x s LYS 3 Cb 0.11 -2.55 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 1j3x s LYS 3 CO -0.03 -0.66 1.14 0.20 -0.92 0.00 0.00 175.35 175.07 1j3x s GLY 4 N -4.50 2.69 0.35 -3.33 0.00 -1.26 -4.77 107.32 96.51 1j3x s GLY 4 Ca 0.55 0.85 0.08 0.00 0.00 0.00 0.00 44.72 46.20 1j3x s GLY 4 CO 0.34 1.25 0.14 0.99 0.00 0.00 0.00 173.10 175.83 1j3x s ASP 5 N -1.60 4.61 0.05 1.64 1.11 -1.25 -5.05 116.67 116.19 1j3x s ASP 5 Ca 0.68 -0.84 -0.18 0.00 0.18 0.00 0.00 52.55 52.40 1j3x s ASP 5 Cb -0.25 -0.67 -0.18 0.00 1.07 0.00 0.00 42.92 42.89 1j3x s ASP 5 CO 0.30 -0.34 1.23 1.55 1.18 0.00 0.00 175.17 179.08 1j3x h PRO 6 N 1.53 0.53 -0.79 8.23 0.13 -1.96 -3.37 132.00 136.31 1j3x h PRO 6 Ca -0.43 -0.44 -0.37 0.00 -0.87 0.00 0.00 66.00 63.89 1j3x h PRO 6 Cb 1.25 0.09 -0.41 0.00 0.13 0.00 0.00 31.00 32.07 1j3x h PRO 6 CO 0.64 1.07 -1.05 0.09 -0.23 0.00 0.00 178.00 178.52 1j3x n ASN 7 N -4.21 2.48 -3.56 1.44 3.02 -1.26 -5.08 115.26 108.09 1j3x n ASN 7 Ca -0.08 -2.72 -0.16 0.00 -0.03 0.00 0.00 54.58 51.59 1j3x n ASN 7 Cb 0.61 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.01 0.00 3.52 1.02 -1.26 -5.17 119.74 115.32 1j3x s LYS 8 Ca 0.34 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1j3x s LYS 8 Cb 0.39 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 38.17 1j3x s LYS 8 CO -0.02 -0.33 0.00 -0.35 -0.92 0.00 0.00 175.35 173.73 1j3x n PRO 9 N 0.79 0.02 0.00 -1.68 -0.04 -1.26 -3.76 135.00 129.07 1j3x n PRO 9 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1j3x n PRO 9 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1j3x n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j3x n ARG 10 N -0.77 0.04 -1.95 0.54 1.74 -1.26 -4.48 116.66 110.52 1j3x n ARG 10 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1j3x n ARG 10 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3x n GLY 11 N 4.86 6.18 7.00 -0.13 0.00 -1.26 -5.08 105.19 116.75 1j3x n GLY 11 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.70 0.00 -1.92 1.61 5.02 -1.26 -4.95 118.16 115.96 1j3x n LYS 12 Ca 0.48 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1j3x n LYS 12 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.82 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 -0.94 1.11 -3.88 1.97 2.81 -1.26 -5.06 117.12 111.87 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 -0.92 -0.19 0.36 7.83 0.15 -1.26 -4.89 113.70 114.78 1j3x s SER 14 Ca 0.00 -0.70 0.15 0.00 0.70 0.00 0.00 55.95 56.10 1j3x s SER 14 Cb 0.00 0.62 0.66 0.00 -1.71 0.00 0.00 66.02 65.59 1j3x s SER 14 CO 0.00 -1.17 1.75 0.77 1.20 0.00 0.00 173.24 175.79 1j3x h SER 15 N 2.17 0.00 0.73 5.45 4.64 -1.92 -2.64 113.55 121.98 1j3x h SER 15 Ca -0.25 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 1j3x h SER 15 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1j3x h SER 15 CO 0.33 0.42 -0.60 0.22 -0.87 0.00 0.00 176.83 176.33 1j3x h TYR 16 N 0.00 0.00 0.15 4.77 5.03 -1.96 -2.48 116.97 122.47 1j3x h TYR 16 Ca -0.00 0.00 -0.30 0.00 2.58 0.00 0.00 58.73 61.01 1j3x h TYR 16 Cb 0.84 0.00 0.03 0.00 1.55 0.00 0.00 36.73 39.15 1j3x h TYR 16 CO 0.00 0.60 -1.28 0.00 -1.32 0.00 0.00 178.16 176.15 1j3x h ALA 17 N 1.40 0.00 0.00 1.82 0.00 -1.91 -3.25 119.26 117.33 1j3x h ALA 17 Ca -0.01 -0.81 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 1j3x h ALA 17 Cb 1.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1j3x h ALA 17 CO 0.08 0.75 -0.47 0.74 0.00 0.00 0.00 179.25 180.34 1j3x h PHE 18 N 0.20 0.00 0.71 0.00 0.04 -1.47 -1.97 116.94 114.45 1j3x h PHE 18 Ca -0.19 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 1j3x h PHE 18 Cb 1.97 0.00 0.01 0.00 2.20 0.00 0.00 35.95 40.12 1j3x h PHE 18 CO 0.10 0.47 -0.34 0.35 -0.60 0.00 0.00 178.31 178.30 1j3x h PHE 19 N 0.00 -0.88 -0.00 -0.55 3.57 -1.48 0.26 116.94 117.85 1j3x h PHE 19 Ca -0.00 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1j3x h PHE 19 Cb 0.87 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1j3x h PHE 19 CO 0.00 -0.53 -0.32 0.28 -2.23 0.00 0.00 178.31 175.51 1j3x h VAL 20 N -1.04 1.23 -0.09 1.41 2.07 -1.59 0.39 116.25 118.63 1j3x h VAL 20 Ca -0.10 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 1j3x h VAL 20 Cb 0.75 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1j3x h VAL 20 CO 0.16 0.32 -0.44 -0.61 0.02 0.00 0.00 177.57 177.02 1j3x h GLN 21 N 0.01 0.22 0.00 1.57 -0.00 -1.14 -0.02 115.11 115.74 1j3x h GLN 21 Ca -0.00 -0.11 -0.28 0.00 -0.00 0.00 0.00 58.65 58.26 1j3x h GLN 21 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.01 1j3x h GLN 21 CO 0.04 0.62 -1.89 2.41 0.00 0.00 0.00 178.83 180.01 1j3x n THR 22 N -4.00 1.38 0.10 2.39 -1.04 0.06 -3.93 114.28 109.24 1j3x n THR 22 Ca -0.02 -0.78 -0.02 0.00 -2.04 0.00 0.00 64.05 61.19 1j3x n THR 22 Cb 0.50 -0.74 -0.03 0.00 -1.82 0.00 0.00 70.33 68.23 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 -0.30 8.00 0.02 -0.21 -3.04 113.55 118.01 1j3x h SER 23 Ca -0.34 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.45 1j3x h SER 23 Cb 1.96 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.50 1j3x h SER 23 CO 0.05 0.73 -0.45 -0.09 -1.14 0.00 0.00 176.83 175.94 1j3x h ARG 24 N 0.00 0.84 -0.38 3.45 1.12 -1.16 -2.93 114.38 115.32 1j3x h ARG 24 Ca -0.01 -0.50 -0.10 0.00 -1.11 0.00 0.00 59.98 58.27 1j3x h ARG 24 Cb 1.55 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.54 1j3x h ARG 24 CO 0.10 1.13 -0.14 0.93 -3.11 0.00 0.00 179.97 178.87 1j3x h GLU 25 N 0.61 0.77 0.00 0.20 5.08 -1.68 -2.64 114.58 116.93 1j3x h GLU 25 Ca 0.03 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1j3x h GLU 25 Cb 1.05 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1j3x h GLU 25 CO 0.10 0.93 -0.01 1.49 -1.00 0.00 0.00 179.01 180.53 1j3x h GLU 26 N 0.57 0.00 0.03 2.33 4.57 -1.53 -2.34 114.58 118.22 1j3x h GLU 26 Ca 0.09 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1j3x h GLU 26 Cb 0.68 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1j3x h GLU 26 CO 0.05 0.01 -0.32 1.25 -1.18 0.00 0.00 179.01 178.81 1j3x h HIS 27 N 0.00 0.27 0.00 0.92 2.76 -1.28 -3.27 115.15 114.54 1j3x h HIS 27 Ca -0.00 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 57.98 1j3x h HIS 27 Cb 0.03 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1j3x h HIS 27 CO 0.00 1.04 -0.11 -0.22 -1.30 0.00 0.00 177.93 177.35 1j3x h LYS 28 N -0.59 0.00 0.00 5.26 3.64 -1.29 -1.03 116.57 122.56 1j3x h LYS 28 Ca -0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1j3x h LYS 28 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1j3x h LYS 28 CO 0.06 0.11 -0.01 0.87 -2.27 0.00 0.00 179.45 178.21 1j3x h LYS 29 N 0.00 0.00 0.00 1.90 1.57 -1.48 -2.85 116.57 115.71 1j3x h LYS 29 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1j3x h LYS 29 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1j3x h LYS 29 CO 0.01 0.01 -0.41 0.36 -0.57 0.00 0.00 179.45 178.85 1j3x n LYS 30 N -3.21 0.42 -3.06 3.15 2.85 -0.64 -4.89 118.16 112.77 1j3x n LYS 30 Ca -0.03 -1.62 -0.17 0.00 -1.05 0.00 0.00 58.31 55.44 1j3x n LYS 30 Cb 0.10 -0.78 -0.01 0.00 -0.65 0.00 0.00 35.03 33.68 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 -0.41 -0.92 0.12 5.58 8.25 -0.49 -4.94 115.22 122.42 1j3x n HIS 31 Ca 0.06 -3.21 -0.02 0.00 -0.26 0.00 0.00 57.72 54.29 1j3x n HIS 31 Cb 0.72 0.17 0.12 0.00 1.12 0.00 0.00 29.99 32.13 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 3.45 0.00 0.00 -0.41 0.13 -1.86 -3.18 132.00 130.14 1j3x h PRO 32 Ca 0.03 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.96 1j3x h PRO 32 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1j3x h PRO 32 CO 0.41 0.68 -1.10 -0.44 -0.23 0.00 0.00 178.00 177.32 1j3x h ASP 33 N 0.00 0.00 -3.31 1.44 3.32 -1.95 -3.46 116.42 112.46 1j3x h ASP 33 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1j3x h ASP 33 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1j3x h ASP 33 CO 0.09 0.83 0.00 -1.20 -1.72 0.00 0.00 179.24 177.24 1j3x n SER 34 N -3.19 0.00 -2.75 6.45 7.64 -1.20 -5.14 113.62 115.43 1j3x n SER 34 Ca -0.04 -0.97 -0.14 0.00 1.01 0.00 0.00 58.87 58.72 1j3x n SER 34 Cb 0.91 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.06 1j3x n SER 34 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1j3x n SER 35 N -2.92 -0.80 -3.15 6.43 2.88 -1.26 -4.98 113.62 109.82 1j3x n SER 35 Ca 0.00 -2.70 0.05 0.00 -1.33 0.00 0.00 58.87 54.89 1j3x n SER 35 Cb 0.00 1.66 -0.00 0.00 -0.75 0.00 0.00 64.21 65.11 1j3x n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j3x s VAL 36 N -2.96 -0.61 0.00 2.46 0.11 -1.26 -5.06 120.40 113.07 1j3x s VAL 36 Ca 0.29 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1j3x s VAL 36 Cb 0.01 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1j3x s VAL 36 CO 0.21 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.78 1j3x n ASN 37 N 5.32 0.00 -0.08 3.54 5.15 -1.26 -4.92 115.26 123.01 1j3x n ASN 37 Ca 0.03 -0.49 -0.15 0.00 -0.60 0.00 0.00 54.58 53.37 1j3x n ASN 37 Cb 0.55 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.69 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1j3x h PHE 38 N -0.46 0.00 -0.35 1.20 0.04 -2.02 -3.24 116.94 112.11 1j3x h PHE 38 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1j3x h PHE 38 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1j3x h PHE 38 CO 0.00 1.03 -0.36 0.00 -0.60 0.00 0.00 178.31 178.38 1j3x h ALA 39 N -0.34 0.52 0.00 2.45 0.00 -1.96 1.42 119.26 121.35 1j3x h ALA 39 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1j3x h ALA 39 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1j3x h ALA 39 CO -0.08 0.60 0.00 0.93 0.00 0.00 0.00 179.25 180.70 1j3x h GLU 40 N 0.66 0.00 0.00 0.00 4.39 -1.96 -2.61 114.58 115.05 1j3x h GLU 40 Ca 0.05 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 1j3x h GLU 40 Cb 0.95 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 1j3x h GLU 40 CO 0.09 0.00 -1.42 0.34 -1.16 0.00 0.00 179.01 176.86 1j3x n PHE 41 N -2.56 0.00 0.25 4.33 7.35 -1.00 -4.55 117.46 121.27 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 0.10 -0.28 0.88 0.00 0.35 0.00 0.00 39.48 40.54 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 -0.15 0.00 0.66 -2.13 4.64 0.19 0.23 113.55 117.00 1j3x h SER 42 Ca -0.18 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.98 1j3x h SER 42 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1j3x h SER 42 CO -0.07 0.00 -0.73 0.11 -0.87 0.00 0.00 176.83 175.27 1j3x h LYS 43 N 0.00 0.05 0.04 4.77 1.57 -1.64 -3.12 116.57 118.24 1j3x h LYS 43 Ca 0.06 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 1j3x h LYS 43 Cb 0.52 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1j3x h LYS 43 CO -0.00 0.76 -1.75 -0.22 -0.57 0.00 0.00 179.45 177.67 1j3x h LYS 44 N 0.03 0.08 0.00 3.15 3.11 -0.89 -3.34 116.57 118.71 1j3x h LYS 44 Ca -0.01 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 57.67 1j3x h LYS 44 Cb 1.29 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.57 1j3x h LYS 44 CO 0.10 0.73 -0.06 0.00 -2.81 0.00 0.00 179.45 177.40 1j3x h SER 46 N 0.00 0.52 0.18 0.00 4.64 -1.66 0.27 113.55 117.49 1j3x h SER 46 Ca -0.00 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1j3x h SER 46 Cb 0.11 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1j3x h SER 46 CO 0.01 0.66 -0.16 -0.33 -0.87 0.00 0.00 176.83 176.14 1j3x h GLU 47 N 0.49 0.00 0.02 4.77 4.39 -1.46 -0.95 114.58 121.84 1j3x h GLU 47 Ca 0.09 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.45 1j3x h GLU 47 Cb 0.49 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1j3x h GLU 47 CO 0.03 0.16 -2.07 -2.13 -1.16 0.00 0.00 179.01 173.84 1j3x n ARG 48 N -4.24 0.67 -0.15 2.33 0.63 -0.86 -3.42 116.66 111.62 1j3x n ARG 48 Ca -0.02 0.18 -0.11 0.00 -0.92 0.00 0.00 57.85 56.97 1j3x n ARG 48 Cb 0.23 -1.66 -0.01 0.00 0.45 0.00 0.00 32.46 31.47 1j3x n ARG 48 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 1j3x h TRP 49 N 0.01 0.99 0.00 -0.14 2.91 -0.27 0.49 115.95 119.94 1j3x h TRP 49 Ca -0.43 -0.23 -0.11 0.00 1.13 0.00 0.00 58.89 59.25 1j3x h TRP 49 Cb 2.08 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 30.48 1j3x h TRP 49 CO 0.02 0.99 -0.54 0.87 -1.03 0.00 0.00 178.44 178.75 1j3x h LYS 50 N 0.71 0.00 0.00 2.65 1.57 -1.36 -3.23 116.57 116.91 1j3x h LYS 50 Ca 0.11 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1j3x h LYS 50 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1j3x h LYS 50 CO 0.05 0.54 -1.31 0.25 -0.57 0.00 0.00 179.45 178.40 1j3x n THR 51 N -3.40 0.80 -0.53 -0.16 -2.24 -1.14 -4.94 114.28 102.67 1j3x n THR 51 Ca 0.01 -0.61 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 1j3x n THR 51 Cb 0.67 -0.46 0.23 0.00 -2.10 0.00 0.00 70.33 68.67 1j3x n THR 51 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1j3x n MET 52 N -2.72 -2.14 -2.91 -0.78 2.81 0.17 -5.04 117.12 106.52 1j3x n MET 52 Ca -0.05 -0.60 -0.17 0.00 -1.81 0.00 0.00 57.70 55.07 1j3x n MET 52 Cb 0.69 -2.07 0.01 0.00 -0.71 0.00 0.00 33.22 31.14 1j3x n MET 52 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1j3x n SER 53 N -4.14 2.00 0.25 7.83 7.64 -1.26 -4.93 113.62 121.02 1j3x n SER 53 Ca 0.03 -2.25 0.14 0.00 1.01 0.00 0.00 58.87 57.81 1j3x n SER 53 Cb 0.56 -0.11 0.57 0.00 -1.01 0.00 0.00 64.21 64.22 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3x h ALA 54 N 0.56 1.01 -0.02 -0.43 0.00 -1.96 -0.34 119.26 118.07 1j3x h ALA 54 Ca -0.23 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1j3x h ALA 54 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1j3x h ALA 54 CO 0.35 0.09 -0.38 0.87 0.00 0.00 0.00 179.25 180.18 1j3x h LYS 55 N 0.00 0.05 0.00 0.00 1.57 -2.00 -1.15 116.57 115.05 1j3x h LYS 55 Ca -0.00 -0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 58.36 1j3x h LYS 55 Cb 0.63 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 1j3x h LYS 55 CO 0.01 0.42 -2.47 0.39 -0.57 0.00 0.00 179.45 177.23 1j3x n GLU 56 N -4.08 0.64 0.29 3.15 1.02 -1.10 -4.31 120.64 116.26 1j3x n GLU 56 Ca -0.02 0.18 0.18 0.00 -0.02 0.00 0.00 57.16 57.48 1j3x n GLU 56 Cb 0.42 -1.52 0.87 0.00 -0.02 0.00 0.00 31.44 31.19 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 -0.20 0.00 -0.04 3.49 1.57 -1.12 -2.43 116.57 117.83 1j3x h LYS 57 Ca -0.60 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.08 1j3x h LYS 57 Cb 1.84 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 1j3x h LYS 57 CO -0.15 0.04 -0.47 0.66 -0.57 0.00 0.00 179.45 178.96 1j3x h SER 58 N 0.00 0.09 0.42 0.86 4.64 -1.39 -1.61 113.55 116.57 1j3x h SER 58 Ca -0.00 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1j3x h SER 58 Cb 0.30 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1j3x h SER 58 CO 0.00 0.55 -0.34 0.50 -0.87 0.00 0.00 176.83 176.68 1j3x h LYS 59 N 0.07 0.00 0.00 4.77 3.64 -1.64 -1.96 116.57 121.45 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 0.85 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 1j3x h LYS 59 CO 0.06 0.34 -1.58 0.74 -2.27 0.00 0.00 179.45 176.74 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.60 -3.30 116.94 114.00 1j3x h PHE 60 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1j3x h PHE 60 Cb 0.64 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 1j3x h PHE 60 CO 0.00 0.85 -0.62 0.93 -0.60 0.00 0.00 178.31 178.86 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.39 -1.12 -3.03 114.58 116.33 1j3x h GLU 61 Ca -0.24 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.32 1j3x h GLU 61 Cb 1.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.48 1j3x h GLU 61 CO 0.07 0.62 -0.70 0.22 -1.16 0.00 0.00 179.01 178.06 1j3x h ASP 62 N 0.00 0.00 0.84 1.42 1.82 -1.49 -2.49 116.42 116.51 1j3x h ASP 62 Ca -0.01 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.47 1j3x h ASP 62 Cb 1.23 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 1j3x h ASP 62 CO 0.08 0.70 -0.79 0.24 -1.61 0.00 0.00 179.24 177.86 1j3x h MET 63 N 0.00 0.00 0.12 0.28 2.86 -1.62 -2.86 114.93 113.71 1j3x h MET 63 Ca -0.01 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.34 1j3x h MET 63 Cb 1.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 1j3x h MET 63 CO 0.09 0.79 -1.41 0.00 1.06 0.00 0.00 176.91 177.43 1j3x h ALA 64 N 1.21 0.21 0.00 6.32 0.00 -1.53 -3.30 119.26 122.18 1j3x h ALA 64 Ca -0.01 -1.03 -0.09 0.00 0.00 0.00 0.00 54.91 53.79 1j3x h ALA 64 Cb 1.42 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1j3x h ALA 64 CO 0.10 1.08 -0.43 -0.22 0.00 0.00 0.00 179.25 179.79 1j3x h LYS 65 N 0.07 0.00 -0.55 0.00 3.11 -1.49 -1.95 116.57 115.76 1j3x h LYS 65 Ca -0.20 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.62 1j3x h LYS 65 Cb 1.99 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.20 1j3x h LYS 65 CO 0.18 0.43 0.26 1.03 -2.81 0.00 0.00 179.45 178.53 1j3x h SER 66 N 0.00 0.72 1.04 4.20 0.87 -1.58 -2.65 113.55 116.16 1j3x h SER 66 Ca -0.00 -0.14 -0.19 0.00 -1.23 0.00 0.00 61.79 60.23 1j3x h SER 66 Cb 0.81 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1j3x h SER 66 CO 0.06 0.66 -0.90 0.44 -0.53 0.00 0.00 176.83 176.55 1j3x h ASP 67 N 0.74 0.00 0.14 6.23 5.19 -1.64 -3.22 116.42 123.86 1j3x h ASP 67 Ca 0.19 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1j3x h ASP 67 Cb 0.13 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.64 1j3x h ASP 67 CO -0.02 0.90 -0.09 0.50 -3.12 0.00 0.00 179.24 177.40 1j3x h LYS 68 N 0.00 0.00 0.00 3.56 3.64 -1.09 -2.00 116.57 120.69 1j3x h LYS 68 Ca -0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1j3x h LYS 68 Cb 1.67 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.46 1j3x h LYS 68 CO 0.12 0.09 -0.99 0.00 -2.27 0.00 0.00 179.45 176.41 1j3x h ALA 69 N 1.91 0.50 0.00 5.00 0.00 -1.49 -3.27 119.26 121.91 1j3x h ALA 69 Ca -0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 54.91 53.97 1j3x h ALA 69 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1j3x h ALA 69 CO 0.01 1.11 -0.39 -0.09 0.00 0.00 0.00 179.25 179.90 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 2.43 -1.40 -2.71 114.38 112.70 1j3x h ARG 70 Ca -0.05 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1j3x h ARG 70 Cb 1.69 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.23 1j3x h ARG 70 CO 0.10 0.39 -0.41 -0.92 -1.51 0.00 0.00 179.97 177.62 1j3x h TYR 71 N 0.00 0.00 -0.34 2.20 5.03 -1.56 -2.87 116.97 119.43 1j3x h TYR 71 Ca -0.00 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 1j3x h TYR 71 Cb 0.74 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 1j3x h TYR 71 CO 0.00 0.41 0.01 0.22 -1.32 0.00 0.00 178.16 177.48 1j3x h ASP 72 N 0.00 0.48 -0.90 -2.11 1.82 -1.60 -2.65 116.42 111.47 1j3x h ASP 72 Ca -0.00 -0.09 -0.59 0.00 -0.39 0.00 0.00 57.03 55.96 1j3x h ASP 72 Cb 0.80 -0.13 -0.30 0.00 0.68 0.00 0.00 39.33 40.38 1j3x h ASP 72 CO 0.05 0.55 0.45 0.54 -1.61 0.00 0.00 179.24 179.22 1j3x n ARG 73 N -4.29 2.73 -0.01 0.28 1.74 -1.09 -4.26 116.66 111.77 1j3x n ARG 73 Ca 0.01 -3.41 -0.01 0.00 -0.77 0.00 0.00 57.85 53.67 1j3x n ARG 73 Cb 0.24 -2.23 -0.01 0.00 -1.02 0.00 0.00 32.46 29.43 1j3x n ARG 73 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1j3x n GLU 74 N -0.93 1.16 -0.04 5.56 2.13 -1.00 -4.76 120.64 122.77 1j3x n GLU 74 Ca 0.57 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 58.33 1j3x n GLU 74 Cb 0.89 -1.04 -0.14 0.00 0.27 0.00 0.00 31.44 31.42 1j3x n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1j3x n MET 75 N -2.41 0.65 -1.98 5.31 2.81 -1.25 -4.95 117.12 115.31 1j3x n MET 75 Ca -0.04 0.14 -0.28 0.00 -1.81 0.00 0.00 57.70 55.71 1j3x n MET 75 Cb 0.55 -1.68 0.10 0.00 -0.71 0.00 0.00 33.22 31.48 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 -2.66 1.78 0.00 0.03 -0.14 -1.26 -5.20 119.74 112.29 1j3x s LYS 76 Ca -0.07 -0.07 0.26 0.00 -1.36 0.00 0.00 55.97 54.74 1j3x s LYS 76 Cb 0.08 -1.98 0.68 0.00 -1.68 0.00 0.00 37.83 34.93 1j3x s LYS 76 CO 0.83 -1.67 1.54 -1.71 -0.76 0.00 0.00 175.35 173.58