#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 0.44 2.03 -5.12 0.00 -1.26 -4.95 105.19 96.34 1j3x n GLY 2 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.01 0.00 0.00 1.61 4.81 -1.26 -4.96 118.16 117.35 1j3x n LYS 3 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1j3x n LYS 3 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1j3x n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j3x n GLY 4 N -0.75 2.06 2.58 3.14 0.00 -1.26 -4.99 105.19 105.96 1j3x n GLY 4 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1j3x n GLY 4 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j3x n ASP 5 N 0.00 -1.56 -0.03 1.61 5.75 -1.26 -4.47 116.55 116.58 1j3x n ASP 5 Ca 0.00 -3.43 -0.16 0.00 -0.01 0.00 0.00 54.79 51.19 1j3x n ASP 5 Cb 0.00 1.18 -0.08 0.00 -1.03 0.00 0.00 41.12 41.19 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1j3x h PRO 6 N 3.22 0.58 0.00 0.11 0.13 -1.98 -3.44 132.00 130.62 1j3x h PRO 6 Ca -0.05 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1j3x h PRO 6 Cb 1.05 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1j3x h PRO 6 CO 0.27 1.08 -0.17 0.09 -0.23 0.00 0.00 178.00 179.04 1j3x n ASN 7 N -4.18 0.09 -4.95 1.44 3.02 -1.26 -5.10 115.26 104.31 1j3x n ASN 7 Ca -0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.24 1j3x n ASN 7 Cb 0.62 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.89 3.38 0.68 3.52 1.02 -1.26 -5.10 119.74 120.08 1j3x s LYS 8 Ca 0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 55.97 55.43 1j3x s LYS 8 Cb 0.00 -2.67 0.17 0.00 -0.52 0.00 0.00 37.83 34.80 1j3x s LYS 8 CO 0.00 0.09 0.68 -0.35 -0.92 0.00 0.00 175.35 174.85 1j3x n PRO 9 N -1.80 -1.84 -2.12 -1.68 -0.04 -1.26 -4.52 135.00 121.75 1j3x n PRO 9 Ca -0.04 -1.07 -0.19 0.00 -0.04 0.00 0.00 63.50 62.16 1j3x n PRO 9 Cb 0.57 -0.91 0.10 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.23 -0.10 0.00 0.54 1.74 -1.26 -4.90 116.66 109.45 1j3x n ARG 10 Ca 0.09 -2.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 1j3x n ARG 10 Cb 0.34 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 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 -1.31 -0.87 0.00 -0.13 0.00 -1.26 -5.09 105.19 96.52 1j3x n GLY 11 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 1.77 -3.94 1.61 5.02 -1.26 -5.10 118.16 116.26 1j3x n LYS 12 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1j3x n LYS 12 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 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 -1.57 1.27 0.67 1.97 -1.94 -1.26 -5.07 119.30 113.36 1j3x s MET 13 Ca 0.00 -1.67 -0.11 0.00 -1.71 0.00 0.00 55.69 52.21 1j3x s MET 13 Cb 0.00 -2.86 0.15 0.00 2.01 0.00 0.00 34.83 34.13 1j3x s MET 13 CO 0.00 -0.96 0.91 0.45 -0.01 0.00 0.00 175.02 175.41 1j3x n SER 14 N 4.39 0.15 0.17 3.03 2.88 -1.26 -4.35 113.62 118.64 1j3x n SER 14 Ca 0.02 -1.38 0.03 0.00 -1.33 0.00 0.00 58.87 56.21 1j3x n SER 14 Cb 0.42 -0.69 0.31 0.00 -0.75 0.00 0.00 64.21 63.51 1j3x n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1j3x h SER 15 N -1.15 0.00 0.39 -3.46 4.64 -1.92 -2.78 113.55 109.27 1j3x h SER 15 Ca -0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1j3x h SER 15 Cb 0.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1j3x h SER 15 CO 0.21 0.44 -0.34 0.22 -0.87 0.00 0.00 176.83 176.49 1j3x h TYR 16 N 0.00 0.00 0.07 4.77 5.03 -1.92 -1.68 116.97 123.24 1j3x h TYR 16 Ca -0.00 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 61.05 1j3x h TYR 16 Cb 0.84 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.13 1j3x h TYR 16 CO 0.00 0.34 -1.10 0.00 -1.32 0.00 0.00 178.16 176.08 1j3x h ALA 17 N 1.66 0.21 0.00 1.82 0.00 -1.85 -3.23 119.26 117.87 1j3x h ALA 17 Ca -0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 53.99 1j3x h ALA 17 Cb 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1j3x h ALA 17 CO 0.04 0.85 -0.64 0.74 0.00 0.00 0.00 179.25 180.24 1j3x h PHE 18 N 0.18 0.00 0.25 0.00 0.04 -1.39 -2.15 116.94 113.87 1j3x h PHE 18 Ca -0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1j3x h PHE 18 Cb 1.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.92 1j3x h PHE 18 CO 0.07 0.64 -0.12 0.35 -0.60 0.00 0.00 178.31 178.65 1j3x h PHE 19 N 0.00 -0.31 0.00 -0.55 3.57 -1.34 -0.58 116.94 117.74 1j3x h PHE 19 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1j3x h PHE 19 Cb 1.18 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1j3x h PHE 19 CO 0.00 -0.10 -0.55 0.28 -2.23 0.00 0.00 178.31 175.71 1j3x h VAL 20 N -0.45 1.36 -0.13 1.41 2.07 -1.60 -1.59 116.25 117.31 1j3x h VAL 20 Ca -0.03 -1.92 -0.10 0.00 0.82 0.00 0.00 66.70 65.47 1j3x h VAL 20 Cb 0.34 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1j3x h VAL 20 CO 0.06 0.54 -0.37 -0.61 0.02 0.00 0.00 177.57 177.20 1j3x h GLN 21 N 0.00 0.29 0.00 1.57 -0.00 -1.18 0.34 115.11 116.13 1j3x h GLN 21 Ca -0.01 -0.13 -0.24 0.00 -0.00 0.00 0.00 58.65 58.28 1j3x h GLN 21 Cb 1.00 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.43 1j3x h GLN 21 CO 0.07 0.62 -1.36 1.15 0.00 0.00 0.00 178.83 179.32 1j3x h THR 22 N 0.24 1.15 0.00 2.39 2.02 -0.94 -3.11 112.91 114.66 1j3x h THR 22 Ca 0.03 -2.89 -0.20 0.00 0.77 0.00 0.00 66.41 64.11 1j3x h THR 22 Cb 0.78 2.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 1j3x h THR 22 CO 0.06 0.65 -1.18 0.28 0.37 0.00 0.00 175.52 175.71 1j3x h SER 23 N 0.00 0.00 -0.01 4.18 0.02 -1.17 -3.31 113.55 113.27 1j3x h SER 23 Ca -0.16 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.61 1j3x h SER 23 Cb 1.86 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.41 1j3x h SER 23 CO 0.09 0.80 -0.71 -0.09 -1.14 0.00 0.00 176.83 175.79 1j3x h ARG 24 N 0.00 0.49 -0.12 3.45 1.12 -0.43 -2.43 114.38 116.46 1j3x h ARG 24 Ca -0.12 -0.52 0.03 0.00 -1.11 0.00 0.00 59.98 58.27 1j3x h ARG 24 Cb 1.71 0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.81 1j3x h ARG 24 CO 0.08 1.16 0.10 1.05 -3.11 0.00 0.00 179.97 179.25 1j3x h GLU 25 N 0.04 0.00 0.00 0.20 4.11 -1.68 -1.17 114.58 116.08 1j3x h GLU 25 Ca -0.09 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.16 1j3x h GLU 25 Cb 1.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 1j3x h GLU 25 CO 0.14 0.00 -1.25 1.49 0.07 0.00 0.00 179.01 179.46 1j3x h GLU 26 N 0.00 0.00 0.00 1.06 4.81 -1.63 -3.30 114.58 115.51 1j3x h GLU 26 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1j3x h GLU 26 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1j3x h GLU 26 CO -0.00 0.44 0.00 1.58 -0.73 0.00 0.00 179.01 180.30 1j3x n HIS 27 N -3.03 0.04 -0.15 0.92 -0.00 -0.45 -2.59 115.22 109.96 1j3x n HIS 27 Ca -0.08 0.01 0.03 0.00 0.46 0.00 0.00 57.72 58.15 1j3x n HIS 27 Cb 0.87 -0.52 0.23 0.00 -0.12 0.00 0.00 29.99 30.45 1j3x n HIS 27 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1j3x n LYS 28 N -1.53 3.25 -0.00 1.57 5.02 -1.17 -3.50 118.16 121.79 1j3x n LYS 28 Ca 0.03 -1.88 0.01 0.00 -2.02 0.00 0.00 58.31 54.45 1j3x n LYS 28 Cb 0.16 -1.95 -0.02 0.00 -0.02 0.00 0.00 35.03 33.20 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j3x n LYS 29 N 0.32 1.88 -1.10 1.97 5.02 -1.07 -4.75 118.16 120.43 1j3x n LYS 29 Ca 0.18 -0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.48 1j3x n LYS 29 Cb 0.84 -0.94 0.02 0.00 -0.02 0.00 0.00 35.03 34.93 1j3x n LYS 29 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1j3x n LYS 30 N -1.44 0.04 -3.10 1.97 2.85 -1.25 -4.95 118.16 112.28 1j3x n LYS 30 Ca -0.00 -1.66 -0.19 0.00 -1.05 0.00 0.00 58.31 55.41 1j3x n LYS 30 Cb 0.06 -0.22 -0.04 0.00 -0.65 0.00 0.00 35.03 34.18 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 0.27 -1.41 -0.02 5.58 8.25 -1.23 -4.98 115.22 121.68 1j3x n HIS 31 Ca 0.04 -2.94 -0.13 0.00 -0.26 0.00 0.00 57.72 54.43 1j3x n HIS 31 Cb 0.97 0.33 -0.11 0.00 1.12 0.00 0.00 29.99 32.31 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 4.38 -0.03 -1.89 -0.41 0.13 -1.92 -3.32 132.00 128.93 1j3x h PRO 32 Ca 0.06 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.44 1j3x h PRO 32 Cb 0.94 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 31.80 1j3x h PRO 32 CO 0.38 0.62 1.03 -3.47 -0.23 0.00 0.00 178.00 176.33 1j3x n ASP 33 N -4.78 7.52 -0.03 1.44 2.03 -1.26 -4.37 116.55 117.10 1j3x n ASP 33 Ca -0.09 -3.81 -0.02 0.00 0.52 0.00 0.00 54.79 51.38 1j3x n ASP 33 Cb 0.33 -1.07 -0.05 0.00 -0.72 0.00 0.00 41.12 39.61 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1j3x n SER 34 N -0.54 3.37 -2.82 1.67 2.88 -1.25 -5.09 113.62 111.84 1j3x n SER 34 Ca 0.55 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.06 1j3x n SER 34 Cb 0.29 0.75 -0.02 0.00 -0.75 0.00 0.00 64.21 64.47 1j3x n SER 34 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j3x n SER 35 N -2.18 -4.71 -4.41 -3.46 7.64 -1.26 -4.87 113.62 100.37 1j3x n SER 35 Ca -0.10 1.16 -0.44 0.00 1.01 0.00 0.00 58.87 60.50 1j3x n SER 35 Cb 0.65 -3.98 -0.04 0.00 -1.01 0.00 0.00 64.21 59.83 1j3x n SER 35 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1j3x s VAL 36 N -0.82 4.63 -0.57 0.44 1.01 -1.26 -4.91 120.40 118.92 1j3x s VAL 36 Ca -0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1j3x s VAL 36 Cb 0.01 -4.56 0.22 0.00 0.00 0.00 0.00 36.38 32.06 1j3x s VAL 36 CO 0.51 -1.24 2.33 -0.46 0.00 0.00 0.00 175.10 176.25 1j3x n ASN 37 N 6.86 6.95 0.00 3.32 0.23 -1.26 -4.94 115.26 126.43 1j3x n ASN 37 Ca -0.07 -3.45 0.00 0.00 -0.53 0.00 0.00 54.58 50.53 1j3x n ASN 37 Cb 0.44 -1.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.02 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1j3x n PHE 38 N 0.13 0.00 -0.09 -2.53 3.72 -1.26 -3.78 117.46 113.65 1j3x n PHE 38 Ca 0.49 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 58.15 1j3x n PHE 38 Cb 0.48 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.73 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 -0.85 2.59 0.00 4.37 0.00 -1.95 1.65 119.26 125.07 1j3x h ALA 39 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j3x h ALA 39 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j3x h ALA 39 CO 0.00 -1.02 0.00 1.49 0.00 0.00 0.00 179.25 179.72 1j3x h GLU 40 N 0.00 0.00 0.00 0.00 4.81 -1.93 -3.05 114.58 114.41 1j3x h GLU 40 Ca 0.35 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1j3x h GLU 40 Cb 1.63 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 1j3x h GLU 40 CO -0.00 0.00 -1.16 0.34 -0.73 0.00 0.00 179.01 177.46 1j3x n PHE 41 N -2.81 0.00 0.22 0.92 7.35 0.31 -4.61 117.46 118.84 1j3x n PHE 41 Ca 0.02 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.89 1j3x n PHE 41 Cb 0.35 -0.10 0.85 0.00 0.35 0.00 0.00 39.48 40.93 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 -0.05 0.00 0.41 -2.13 4.64 0.18 0.18 113.55 116.79 1j3x h SER 42 Ca -0.07 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1j3x h SER 42 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1j3x h SER 42 CO -0.03 0.00 -0.42 0.11 -0.87 0.00 0.00 176.83 175.62 1j3x h LYS 43 N 0.00 0.01 0.13 4.77 1.57 -1.69 -2.35 116.57 119.01 1j3x h LYS 43 Ca 0.08 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.55 1j3x h LYS 43 Cb 0.60 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1j3x h LYS 43 CO -0.00 0.43 -1.59 -0.22 -0.57 0.00 0.00 179.45 177.50 1j3x h LYS 44 N 0.01 0.27 0.00 3.15 3.11 -0.93 -3.31 116.57 118.88 1j3x h LYS 44 Ca -0.00 -0.47 -0.01 0.00 -2.81 0.00 0.00 60.65 57.36 1j3x h LYS 44 Cb 0.75 0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 1j3x h LYS 44 CO 0.06 1.22 -0.04 0.00 -2.81 0.00 0.00 179.45 177.88 1j3x h SER 46 N 0.00 0.02 0.63 0.00 4.64 -1.54 0.27 113.55 117.57 1j3x h SER 46 Ca -0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1j3x h SER 46 Cb 0.08 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1j3x h SER 46 CO 0.01 0.62 -0.66 -0.33 -0.87 0.00 0.00 176.83 175.60 1j3x h GLU 47 N 0.01 0.02 0.09 4.77 4.39 -1.29 -2.26 114.58 120.31 1j3x h GLU 47 Ca -0.01 -0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.33 1j3x h GLU 47 Cb 1.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 1j3x h GLU 47 CO 0.08 0.67 -1.95 -2.13 -1.16 0.00 0.00 179.01 174.52 1j3x n ARG 48 N -3.77 0.72 -0.13 2.33 0.63 -1.07 -3.13 116.66 112.23 1j3x n ARG 48 Ca -0.01 0.26 -0.05 0.00 -0.92 0.00 0.00 57.85 57.13 1j3x n ARG 48 Cb 0.65 -1.72 0.15 0.00 0.45 0.00 0.00 32.46 31.98 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 0.05 0.89 0.00 -0.14 2.91 -0.52 0.61 115.95 119.76 1j3x h TRP 49 Ca -0.40 -0.12 -0.10 0.00 1.13 0.00 0.00 58.89 59.41 1j3x h TRP 49 Cb 2.03 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 30.42 1j3x h TRP 49 CO 0.05 0.80 -0.47 0.87 -1.03 0.00 0.00 178.44 178.66 1j3x h LYS 50 N 0.79 0.00 0.00 2.65 1.57 -1.56 -3.28 116.57 116.74 1j3x h LYS 50 Ca 0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1j3x h LYS 50 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1j3x h LYS 50 CO 0.02 0.47 -1.55 0.25 -0.57 0.00 0.00 179.45 178.07 1j3x n THR 51 N -3.22 0.58 -0.59 -0.16 -2.24 -1.03 -4.96 114.28 102.66 1j3x n THR 51 Ca 0.02 -0.59 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 1j3x n THR 51 Cb 0.72 -0.31 0.21 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.58 -1.59 -1.05 -0.78 2.81 0.21 -5.04 117.12 109.10 1j3x n MET 52 Ca -0.06 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 1j3x n MET 52 Cb 0.67 -2.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1j3x n MET 52 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x n SER 53 N -3.80 0.43 0.00 7.83 2.88 -1.26 -4.94 113.62 114.75 1j3x n SER 53 Ca 0.05 -0.87 0.12 0.00 -1.33 0.00 0.00 58.87 56.84 1j3x n SER 53 Cb 0.55 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.57 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3x n ALA 54 N -3.00 2.18 0.11 -1.46 0.00 -1.26 -2.07 120.51 115.00 1j3x n ALA 54 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1j3x n ALA 54 Cb 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.12 1j3x n ALA 54 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1j3x h LYS 55 N 0.00 0.06 0.00 0.00 1.57 -2.00 -2.40 116.57 113.80 1j3x h LYS 55 Ca 0.00 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.38 1j3x h LYS 55 Cb 0.36 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1j3x h LYS 55 CO 0.00 0.77 -2.30 0.39 -0.57 0.00 0.00 179.45 177.75 1j3x n GLU 56 N -3.68 0.70 0.22 3.15 1.02 -1.19 -4.38 120.64 116.47 1j3x n GLU 56 Ca -0.01 0.10 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 1j3x n GLU 56 Cb 0.72 -1.46 0.51 0.00 -0.02 0.00 0.00 31.44 31.18 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 0.00 0.00 -0.16 3.49 1.57 -1.54 -2.71 116.57 117.23 1j3x h LYS 57 Ca -0.51 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1j3x h LYS 57 Cb 1.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 1j3x h LYS 57 CO -0.05 0.26 -0.14 0.66 -0.57 0.00 0.00 179.45 179.60 1j3x h SER 58 N 0.00 0.24 0.48 0.86 4.64 -1.63 0.25 113.55 118.39 1j3x h SER 58 Ca -0.00 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1j3x h SER 58 Cb 0.59 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1j3x h SER 58 CO 0.03 0.41 -0.41 0.50 -0.87 0.00 0.00 176.83 176.49 1j3x h LYS 59 N 0.24 0.00 0.00 4.77 3.64 -1.70 -2.14 116.57 121.38 1j3x h LYS 59 Ca 0.05 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.14 1j3x h LYS 59 Cb 0.40 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1j3x h LYS 59 CO 0.02 0.41 -1.90 1.19 -2.27 0.00 0.00 179.45 176.91 1j3x n PHE 60 N -3.94 0.62 0.15 1.91 3.01 -0.85 -3.80 117.46 114.55 1j3x n PHE 60 Ca -0.02 0.22 0.01 0.00 1.01 0.00 0.00 57.45 58.67 1j3x n PHE 60 Cb 0.45 -1.08 0.21 0.00 -0.01 0.00 0.00 39.48 39.05 1j3x n PHE 60 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1j3x h GLU 61 N 0.00 0.00 0.00 -1.08 4.39 -0.45 -2.34 114.58 115.09 1j3x h GLU 61 Ca -0.34 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.20 1j3x h GLU 61 Cb 1.97 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.60 1j3x h GLU 61 CO 0.05 0.56 -0.79 0.22 -1.16 0.00 0.00 179.01 177.89 1j3x h ASP 62 N 0.00 0.00 1.04 1.42 1.82 -1.54 -2.91 116.42 116.25 1j3x h ASP 62 Ca -0.01 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 1j3x h ASP 62 Cb 1.06 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.05 1j3x h ASP 62 CO 0.07 0.79 -0.98 0.24 -1.61 0.00 0.00 179.24 177.75 1j3x h MET 63 N 0.00 0.00 -0.08 0.28 2.86 -1.63 -3.15 114.93 113.21 1j3x h MET 63 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 1j3x h MET 63 Cb 1.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.18 1j3x h MET 63 CO 0.10 0.84 -0.77 0.00 1.06 0.00 0.00 176.91 178.14 1j3x h ALA 64 N 1.11 0.20 -0.04 6.32 0.00 -1.45 -3.17 119.26 122.23 1j3x h ALA 64 Ca -0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1j3x h ALA 64 Cb 1.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1j3x h ALA 64 CO 0.11 0.57 -0.24 -0.22 0.00 0.00 0.00 179.25 179.48 1j3x h LYS 65 N 0.32 0.06 -0.60 0.00 1.63 -1.61 0.11 116.57 116.48 1j3x h LYS 65 Ca -0.07 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1j3x h LYS 65 Cb 1.42 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.02 1j3x h LYS 65 CO 0.16 0.30 0.20 1.03 -3.45 0.00 0.00 179.45 177.69 1j3x h SER 66 N 0.06 0.83 0.53 4.20 0.87 -1.52 -1.74 113.55 116.78 1j3x h SER 66 Ca 0.01 -0.13 -0.29 0.00 -1.23 0.00 0.00 61.79 60.15 1j3x h SER 66 Cb 0.46 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1j3x h SER 66 CO 0.03 0.78 -1.57 -0.78 -0.53 0.00 0.00 176.83 174.75 1j3x h ASP 67 N 0.88 0.14 0.29 6.23 1.82 -1.48 -3.25 116.42 121.05 1j3x h ASP 67 Ca 0.20 -0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 1j3x h ASP 67 Cb 0.23 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 1j3x h ASP 67 CO -0.01 1.20 -0.24 0.50 -1.61 0.00 0.00 179.24 179.08 1j3x h LYS 68 N 0.02 0.00 0.00 0.28 3.64 -0.81 -2.35 116.57 117.35 1j3x h LYS 68 Ca -0.24 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1j3x h LYS 68 Cb 1.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.78 1j3x h LYS 68 CO 0.11 0.24 -0.71 0.00 -2.27 0.00 0.00 179.45 176.82 1j3x h ALA 69 N 1.76 0.64 -0.70 5.00 0.00 -1.43 -3.27 119.26 121.27 1j3x h ALA 69 Ca -0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 1j3x h ALA 69 Cb 0.45 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.09 1j3x h ALA 69 CO 0.03 0.73 0.27 -2.13 0.00 0.00 0.00 179.25 178.15 1j3x n ARG 70 N -3.17 3.50 -1.64 0.00 0.63 -0.91 -4.22 116.66 110.85 1j3x n ARG 70 Ca -0.00 -2.83 0.03 0.00 -0.92 0.00 0.00 57.85 54.14 1j3x n ARG 70 Cb 0.77 -2.15 0.02 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 -0.13 0.14 -0.05 -0.14 4.19 -1.08 -4.85 117.16 115.24 1j3x n TYR 71 Ca 0.38 -0.68 -0.05 0.00 3.31 0.00 0.00 57.90 60.86 1j3x n TYR 71 Cb 1.32 -0.15 -0.06 0.00 0.49 0.00 0.00 39.34 40.94 1j3x n TYR 71 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1j3x n ASP 72 N 0.38 2.90 -2.14 2.98 5.75 -1.26 -4.57 116.55 120.58 1j3x n ASP 72 Ca 0.06 -0.02 -0.23 0.00 -0.01 0.00 0.00 54.79 54.59 1j3x n ASP 72 Cb 1.11 0.44 0.15 0.00 -1.03 0.00 0.00 41.12 41.79 1j3x n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1j3x n ARG 73 N -2.48 2.20 -0.04 0.11 1.74 -1.26 -4.11 116.66 112.81 1j3x n ARG 73 Ca -0.16 -2.77 -0.05 0.00 -0.77 0.00 0.00 57.85 54.10 1j3x n ARG 73 Cb 0.77 -2.09 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.95 1.71 -0.04 5.56 2.13 -1.26 -4.44 120.64 123.35 1j3x n GLU 74 Ca 0.55 0.02 -0.07 0.00 0.66 0.00 0.00 57.16 58.32 1j3x n GLU 74 Cb 1.42 -1.19 -0.14 0.00 0.27 0.00 0.00 31.44 31.80 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 -2.49 0.65 -0.04 5.31 2.81 -1.26 -4.23 117.12 117.88 1j3x n MET 75 Ca -0.14 0.15 -0.10 0.00 -1.81 0.00 0.00 57.70 55.80 1j3x n MET 75 Cb 0.71 -1.69 0.05 0.00 -0.71 0.00 0.00 33.22 31.58 1j3x n MET 75 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1j3x h LYS 76 N 0.00 0.69 -0.03 0.03 1.57 -1.84 -3.52 116.57 113.47 1j3x h LYS 76 Ca -0.34 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 1j3x h LYS 76 Cb 1.97 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1j3x h LYS 76 CO 0.05 1.00 0.00 0.09 -0.57 0.00 0.00 179.45 180.02