#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 -0.53 -0.22 -5.12 0.00 -1.26 -5.03 107.32 95.16 1j3x s GLY 2 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.73 1j3x s GLY 2 CO 0.00 3.00 0.04 0.28 0.00 0.00 0.00 173.10 176.42 1j3x n LYS 3 N 5.35 0.59 0.00 2.90 4.76 -1.26 -3.40 118.16 127.10 1j3x n LYS 3 Ca 0.00 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 1j3x n LYS 3 Cb 0.49 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1j3x n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j3x n GLY 4 N 1.46 1.10 2.56 0.72 0.00 -1.26 -4.92 105.19 104.84 1j3x n GLY 4 Ca -0.40 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 1j3x n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j3x n ASP 5 N 0.00 -0.98 -0.03 1.61 8.00 -1.26 -4.52 116.55 119.37 1j3x n ASP 5 Ca 0.00 -3.22 -0.16 0.00 0.71 0.00 0.00 54.79 52.12 1j3x n ASP 5 Cb 0.00 0.81 -0.08 0.00 -0.02 0.00 0.00 41.12 41.83 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j3x h PRO 6 N 2.85 0.60 0.00 -0.24 0.13 -1.97 -3.44 132.00 129.92 1j3x h PRO 6 Ca -0.07 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1j3x h PRO 6 Cb 1.10 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j3x h PRO 6 CO 0.25 1.09 -0.01 0.09 -0.23 0.00 0.00 178.00 179.19 1j3x n ASN 7 N -4.18 -0.03 -4.96 1.44 3.02 -1.26 -5.11 115.26 104.18 1j3x n ASN 7 Ca -0.08 0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 1j3x n ASN 7 Cb 0.62 0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.85 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 -2.00 3.36 0.00 3.52 1.02 -1.26 -5.07 119.74 119.30 1j3x s LYS 8 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1j3x s LYS 8 Cb 0.00 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1j3x s LYS 8 CO 0.00 0.20 0.00 -0.35 -0.92 0.00 0.00 175.35 174.28 1j3x n PRO 9 N -1.64 0.07 -2.80 -1.68 -0.04 -1.26 -4.53 135.00 123.12 1j3x n PRO 9 Ca -0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.07 1j3x n PRO 9 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.62 4.27 0.22 0.54 6.06 -1.26 -4.82 118.95 122.35 1j3x s ARG 10 Ca 0.00 1.16 -0.30 0.00 -2.50 0.00 0.00 55.73 54.10 1j3x s ARG 10 Cb 0.00 -2.28 -0.09 0.00 0.06 0.00 0.00 34.95 32.64 1j3x s ARG 10 CO 0.00 0.01 1.17 0.20 -2.50 0.00 0.00 175.30 174.18 1j3x s GLY 11 N -2.08 2.82 1.21 8.12 0.00 -1.22 -4.94 107.32 111.23 1j3x s GLY 11 Ca 0.60 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 46.12 1j3x s GLY 11 CO 0.15 1.75 1.02 1.25 0.00 0.00 0.00 173.10 177.27 1j3x s LYS 12 N -0.71 -1.27 -0.29 2.90 2.20 -1.26 -5.06 119.74 116.26 1j3x s LYS 12 Ca 0.50 0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 1j3x s LYS 12 Cb -0.33 -1.54 0.15 0.00 -1.51 0.00 0.00 37.83 34.60 1j3x s LYS 12 CO 0.39 -3.87 0.58 -1.64 -0.36 0.00 0.00 175.35 170.46 1j3x s MET 13 N -4.79 0.53 1.13 4.03 -1.94 -1.26 -5.10 119.30 111.90 1j3x s MET 13 Ca 0.68 1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 55.62 1j3x s MET 13 Cb -0.20 0.58 0.28 0.00 2.01 0.00 0.00 34.83 37.50 1j3x s MET 13 CO 0.61 -0.42 1.00 0.45 -0.01 0.00 0.00 175.02 176.64 1j3x n SER 14 N 5.43 -2.04 0.17 3.03 2.88 -1.26 -3.77 113.62 118.05 1j3x n SER 14 Ca -0.06 -1.11 0.02 0.00 -1.33 0.00 0.00 58.87 56.39 1j3x n SER 14 Cb 0.50 -0.92 0.30 0.00 -0.75 0.00 0.00 64.21 63.34 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 -2.60 0.00 0.85 -3.46 4.64 -1.92 -2.56 113.55 108.50 1j3x h SER 15 Ca -0.38 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.79 1j3x h SER 15 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1j3x h SER 15 CO 0.25 0.45 -0.73 0.22 -0.87 0.00 0.00 176.83 176.15 1j3x h TYR 16 N 0.00 0.00 0.01 4.77 5.03 -1.91 -2.76 116.97 122.10 1j3x h TYR 16 Ca -0.00 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.12 1j3x h TYR 16 Cb 0.85 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 1j3x h TYR 16 CO 0.00 0.73 -0.90 0.00 -1.32 0.00 0.00 178.16 176.67 1j3x h ALA 17 N 1.27 0.52 0.00 1.82 0.00 -1.84 -3.21 119.26 117.82 1j3x h ALA 17 Ca -0.01 -0.80 -0.17 0.00 0.00 0.00 0.00 54.91 53.94 1j3x h ALA 17 Cb 1.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1j3x h ALA 17 CO 0.09 1.07 -0.79 0.74 0.00 0.00 0.00 179.25 180.37 1j3x h PHE 18 N 0.02 0.00 0.40 0.00 0.04 -1.44 -2.71 116.94 113.24 1j3x h PHE 18 Ca -0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1j3x h PHE 18 Cb 1.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.72 1j3x h PHE 18 CO 0.01 0.79 -0.19 0.35 -0.60 0.00 0.00 178.31 178.67 1j3x h PHE 19 N 0.00 -0.49 -0.10 -0.55 3.57 -1.49 0.27 116.94 118.15 1j3x h PHE 19 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1j3x h PHE 19 Cb 1.45 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.35 1j3x h PHE 19 CO 0.00 -0.23 -0.26 0.28 -2.23 0.00 0.00 178.31 175.87 1j3x h VAL 20 N -0.67 1.23 -0.08 1.41 2.07 -1.65 0.45 116.25 119.02 1j3x h VAL 20 Ca -0.05 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1j3x h VAL 20 Cb 0.48 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1j3x h VAL 20 CO 0.09 0.32 -0.10 -0.61 0.02 0.00 0.00 177.57 177.29 1j3x h GLN 21 N 0.15 0.20 0.00 1.57 -0.00 -1.26 -1.67 115.11 114.10 1j3x h GLN 21 Ca 0.02 -0.12 -0.16 0.00 -0.00 0.00 0.00 58.65 58.40 1j3x h GLN 21 Cb 0.55 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 1j3x h GLN 21 CO 0.04 0.66 -0.76 1.15 0.00 0.00 0.00 178.83 179.93 1j3x h THR 22 N -0.25 1.51 0.00 2.39 2.02 -0.33 -3.11 112.91 115.14 1j3x h THR 22 Ca 0.01 -2.62 -0.09 0.00 0.77 0.00 0.00 66.41 64.48 1j3x h THR 22 Cb 0.64 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1j3x h THR 22 CO 0.02 0.74 -0.41 0.28 0.37 0.00 0.00 175.52 176.53 1j3x h SER 23 N 0.00 0.00 -0.18 4.18 0.02 -0.10 -2.78 113.55 114.70 1j3x h SER 23 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1j3x h SER 23 Cb 1.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 1j3x h SER 23 CO 0.10 0.41 -0.07 -0.09 -1.14 0.00 0.00 176.83 176.04 1j3x h ARG 24 N 0.00 0.36 -0.63 3.45 1.12 -1.23 -2.18 114.38 115.27 1j3x h ARG 24 Ca -0.00 -0.15 -0.04 0.00 -1.11 0.00 0.00 59.98 58.68 1j3x h ARG 24 Cb 0.94 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.85 1j3x h ARG 24 CO 0.05 0.65 0.24 0.93 -3.11 0.00 0.00 179.97 178.73 1j3x h GLU 25 N 0.05 0.94 0.00 0.20 5.08 -1.59 -1.69 114.58 117.58 1j3x h GLU 25 Ca 0.04 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1j3x h GLU 25 Cb 0.53 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1j3x h GLU 25 CO 0.02 0.80 -0.05 1.49 -1.00 0.00 0.00 179.01 180.27 1j3x h GLU 26 N 0.88 0.00 -1.15 2.33 4.81 -1.41 -2.09 114.58 117.95 1j3x h GLU 26 Ca 0.21 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.92 1j3x h GLU 26 Cb 0.22 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.36 1j3x h GLU 26 CO -0.02 0.05 0.67 1.58 -0.73 0.00 0.00 179.01 180.56 1j3x n HIS 27 N -3.63 2.58 -2.33 0.92 -0.00 -0.64 -4.40 115.22 107.72 1j3x n HIS 27 Ca -0.02 -2.39 -0.15 0.00 0.46 0.00 0.00 57.72 55.61 1j3x n HIS 27 Cb 0.15 -1.16 0.03 0.00 -0.12 0.00 0.00 29.99 28.89 1j3x n HIS 27 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1j3x n LYS 28 N -0.54 2.91 0.00 1.57 4.81 -0.79 -4.73 118.16 121.39 1j3x n LYS 28 Ca 0.50 -3.93 0.00 0.00 -0.87 0.00 0.00 58.31 54.01 1j3x n LYS 28 Cb 0.83 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3x n LYS 29 N -0.65 0.00 -3.06 1.64 5.02 -1.26 -4.90 118.16 114.94 1j3x n LYS 29 Ca 0.30 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.35 1j3x n LYS 29 Cb 0.90 -0.60 -0.04 0.00 -0.02 0.00 0.00 35.03 35.27 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 -2.53 2.35 -2.82 1.97 0.00 -1.26 -4.87 118.16 111.00 1j3x n LYS 30 Ca 0.00 -4.30 -0.11 0.00 -0.00 0.00 0.00 58.31 53.90 1j3x n LYS 30 Cb 0.35 -2.02 0.03 0.00 -0.00 0.00 0.00 35.03 33.39 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1j3x n HIS 31 N 0.06 -0.05 -0.02 5.58 8.25 -1.26 -4.91 115.22 122.87 1j3x n HIS 31 Ca 0.29 -2.87 -0.13 0.00 -0.26 0.00 0.00 57.72 54.75 1j3x n HIS 31 Cb 0.49 0.11 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 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 2.84 -0.03 0.00 -0.41 0.13 -1.97 -3.35 132.00 129.21 1j3x h PRO 32 Ca -0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.80 1j3x h PRO 32 Cb 1.14 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1j3x h PRO 32 CO 0.38 0.59 -1.70 -0.25 -0.23 0.00 0.00 178.00 176.78 1j3x n ASP 33 N -4.80 0.75 -4.68 1.44 8.00 -1.26 -4.85 116.55 111.16 1j3x n ASP 33 Ca -0.09 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 1j3x n ASP 33 Cb 0.31 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j3x s SER 34 N -5.90 7.20 0.80 -2.24 0.01 -1.26 -5.04 113.70 107.28 1j3x s SER 34 Ca -0.05 1.52 -0.05 0.00 1.31 0.00 0.00 55.95 58.68 1j3x s SER 34 Cb 0.08 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 63.91 1j3x s SER 34 CO 0.82 -0.50 0.98 -1.20 0.41 0.00 0.00 173.24 173.75 1j3x n SER 35 N 5.28 0.83 -2.70 2.44 7.64 -1.26 -4.79 113.62 121.06 1j3x n SER 35 Ca 0.10 -1.81 -0.06 0.00 1.01 0.00 0.00 58.87 58.10 1j3x n SER 35 Cb 0.48 -0.68 0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -3.00 0.00 -0.14 0.44 3.14 -1.26 -5.06 118.33 112.45 1j3x n VAL 36 Ca 0.15 -1.12 -0.14 0.00 -2.96 0.00 0.00 64.34 60.27 1j3x n VAL 36 Cb 0.52 1.31 0.14 0.00 -1.06 0.00 0.00 33.84 34.75 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 0.48 -2.96 0.38 6.55 0.23 -1.26 -4.67 115.26 114.01 1j3x n ASN 37 Ca 0.01 -0.42 -0.15 0.00 -0.53 0.00 0.00 54.58 53.49 1j3x n ASN 37 Cb 0.72 -0.49 -0.07 0.00 -2.08 0.00 0.00 39.78 37.86 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 -2.74 -0.92 -0.02 -2.53 0.04 -2.01 -2.87 116.94 105.88 1j3x h PHE 38 Ca -0.19 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.60 1j3x h PHE 38 Cb 0.63 0.30 -0.05 0.00 2.20 0.00 0.00 35.95 39.03 1j3x h PHE 38 CO 0.00 -0.57 -0.32 0.00 -0.60 0.00 0.00 178.31 176.82 1j3x h ALA 39 N -1.33 -0.44 -0.31 2.45 0.00 -1.97 1.53 119.26 119.19 1j3x h ALA 39 Ca -0.10 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1j3x h ALA 39 Cb 0.76 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1j3x h ALA 39 CO 0.17 -0.82 0.42 1.49 0.00 0.00 0.00 179.25 180.51 1j3x h GLU 40 N -0.46 0.00 0.00 0.00 4.81 -1.91 0.20 114.58 117.22 1j3x h GLU 40 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1j3x h GLU 40 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1j3x h GLU 40 CO -0.28 0.00 -1.25 0.34 -0.73 0.00 0.00 179.01 177.09 1j3x n PHE 41 N -3.51 0.00 0.12 0.92 7.35 0.03 -4.02 117.46 118.35 1j3x n PHE 41 Ca 0.05 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1j3x n PHE 41 Cb 0.57 -0.18 0.02 0.00 0.35 0.00 0.00 39.48 40.23 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 0.92 -2.13 4.64 0.52 -2.34 113.55 115.16 1j3x h SER 42 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1j3x h SER 42 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 1j3x h SER 42 CO 0.00 0.64 -1.16 0.11 -0.87 0.00 0.00 176.83 175.55 1j3x h LYS 43 N 0.00 0.00 0.16 4.77 1.57 -1.53 -3.32 116.57 118.21 1j3x h LYS 43 Ca -0.01 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1j3x h LYS 43 Cb 1.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.77 1j3x h LYS 43 CO 0.08 0.44 -1.34 -0.22 -0.57 0.00 0.00 179.45 177.84 1j3x h LYS 44 N 0.00 0.33 -0.43 3.15 3.11 -1.69 -3.32 116.57 117.72 1j3x h LYS 44 Ca -0.12 -0.56 0.05 0.00 -2.81 0.00 0.00 60.65 57.21 1j3x h LYS 44 Cb 1.59 0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 33.01 1j3x h LYS 44 CO 0.06 1.27 0.29 0.00 -2.81 0.00 0.00 179.45 178.26 1j3x h SER 46 N 0.38 0.76 -0.06 0.00 4.64 -1.67 0.25 113.55 117.85 1j3x h SER 46 Ca 0.18 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1j3x h SER 46 Cb 0.25 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1j3x h SER 46 CO -0.04 0.83 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.38 1j3x h GLU 47 N 0.75 0.26 0.12 4.77 5.08 -1.35 0.18 114.58 124.39 1j3x h GLU 47 Ca 0.15 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.14 1j3x h GLU 47 Cb 0.44 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1j3x h GLU 47 CO 0.02 0.32 -1.73 0.00 -1.00 0.00 0.00 179.01 176.62 1j3x h ARG 48 N 0.25 0.26 -0.23 2.33 2.47 -1.35 -3.14 114.38 114.98 1j3x h ARG 48 Ca 0.06 -0.44 -0.04 0.00 -1.26 0.00 0.00 59.98 58.30 1j3x h ARG 48 Cb 0.24 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1j3x h ARG 48 CO 0.01 1.21 -0.04 2.35 0.56 0.00 0.00 179.97 184.06 1j3x h TRP 49 N -0.13 0.35 0.00 3.04 2.91 -0.39 0.47 115.95 122.20 1j3x h TRP 49 Ca -0.37 -0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.45 1j3x h TRP 49 Cb 1.90 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 30.42 1j3x h TRP 49 CO 0.10 0.39 -0.79 0.87 -1.03 0.00 0.00 178.44 177.98 1j3x h LYS 50 N 0.33 0.00 0.00 2.65 1.79 -1.10 -3.23 116.57 117.01 1j3x h LYS 50 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1j3x h LYS 50 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1j3x h LYS 50 CO 0.01 0.79 -1.07 0.25 -1.08 0.00 0.00 179.45 178.35 1j3x n THR 51 N -3.47 0.38 -0.65 -0.16 -2.24 -0.85 -4.95 114.28 102.33 1j3x n THR 51 Ca -0.00 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 1j3x n THR 51 Cb 0.79 -0.11 0.18 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.33 -1.19 -3.63 -0.78 2.81 0.16 -5.03 117.12 107.13 1j3x n MET 52 Ca 0.01 -0.31 -0.23 0.00 -1.81 0.00 0.00 57.70 55.36 1j3x n MET 52 Cb 0.50 -2.04 -0.01 0.00 -0.71 0.00 0.00 33.22 30.97 1j3x n MET 52 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j3x s SER 53 N -2.24 4.86 0.48 7.83 0.01 -1.26 -4.93 113.70 118.45 1j3x s SER 53 Ca 0.62 -1.00 0.25 0.00 1.31 0.00 0.00 55.95 57.14 1j3x s SER 53 Cb -0.21 0.02 1.17 0.00 0.21 0.00 0.00 66.02 67.21 1j3x s SER 53 CO 0.64 -0.97 1.95 0.00 0.41 0.00 0.00 173.24 175.27 1j3x h ALA 54 N 0.77 1.17 -0.03 1.44 0.00 -1.96 0.78 119.26 121.43 1j3x h ALA 54 Ca -0.37 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1j3x h ALA 54 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1j3x h ALA 54 CO 0.55 0.24 -0.42 0.87 0.00 0.00 0.00 179.25 180.49 1j3x h LYS 55 N 0.00 0.06 0.02 0.00 1.57 -2.00 -1.70 116.57 114.53 1j3x h LYS 55 Ca -0.00 -0.03 -0.38 0.00 -1.87 0.00 0.00 60.65 58.37 1j3x h LYS 55 Cb 0.54 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1j3x h LYS 55 CO 0.02 0.47 -2.19 0.39 -0.57 0.00 0.00 179.45 177.58 1j3x n GLU 56 N -4.03 0.64 0.30 3.15 1.02 -0.99 -4.23 120.64 116.50 1j3x n GLU 56 Ca -0.02 0.28 0.17 0.00 -0.02 0.00 0.00 57.16 57.58 1j3x n GLU 56 Cb 0.46 -1.59 0.96 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.48 0.00 -0.08 3.49 1.57 -0.92 -1.76 116.57 118.39 1j3x h LYS 57 Ca -0.55 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.15 1j3x h LYS 57 Cb 1.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1j3x h LYS 57 CO -0.18 0.03 -0.34 0.66 -0.57 0.00 0.00 179.45 179.04 1j3x h SER 58 N 0.00 0.16 0.31 0.86 4.64 -1.48 -2.15 113.55 115.90 1j3x h SER 58 Ca -0.00 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1j3x h SER 58 Cb 0.10 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1j3x h SER 58 CO 0.00 0.50 -0.26 0.50 -0.87 0.00 0.00 176.83 176.70 1j3x h LYS 59 N 0.14 0.00 0.00 4.77 3.64 -1.51 -2.68 116.57 120.93 1j3x h LYS 59 Ca 0.02 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.15 1j3x h LYS 59 Cb 0.67 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1j3x h LYS 59 CO 0.05 0.26 -1.42 0.74 -2.27 0.00 0.00 179.45 176.81 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.56 -3.28 116.94 114.05 1j3x h PHE 60 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1j3x h PHE 60 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1j3x h PHE 60 CO 0.00 0.94 -0.37 1.49 -0.60 0.00 0.00 178.31 179.77 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.81 -1.09 -2.71 114.58 117.10 1j3x h GLU 61 Ca -0.18 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.89 1j3x h GLU 61 Cb 1.87 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.23 1j3x h GLU 61 CO 0.09 0.37 -0.78 0.22 -0.73 0.00 0.00 179.01 178.18 1j3x h ASP 62 N 0.00 0.00 0.44 1.04 3.58 -1.59 -2.89 116.42 117.00 1j3x h ASP 62 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1j3x h ASP 62 Cb 0.68 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1j3x h ASP 62 CO 0.05 0.78 -0.50 0.24 -2.88 0.00 0.00 179.24 176.93 1j3x h MET 63 N 0.00 0.07 0.19 0.28 2.86 -1.54 -2.16 114.93 114.64 1j3x h MET 63 Ca -0.01 -0.04 -0.27 0.00 -2.06 0.00 0.00 59.70 57.33 1j3x h MET 63 Cb 1.54 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.23 1j3x h MET 63 CO 0.10 0.55 -1.19 0.00 1.06 0.00 0.00 176.91 177.44 1j3x h ALA 64 N 1.44 -0.10 0.00 6.32 0.00 -1.54 -3.29 119.26 122.09 1j3x h ALA 64 Ca -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 1j3x h ALA 64 Cb 0.90 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1j3x h ALA 64 CO 0.07 0.57 -0.23 -0.22 0.00 0.00 0.00 179.25 179.43 1j3x h LYS 65 N -0.12 0.00 -0.30 0.00 3.11 -1.50 -0.99 116.57 116.77 1j3x h LYS 65 Ca -0.21 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1j3x h LYS 65 Cb 1.90 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.12 1j3x h LYS 65 CO 0.20 0.23 0.17 1.03 -2.81 0.00 0.00 179.45 178.28 1j3x h SER 66 N 0.00 0.37 1.01 4.20 0.87 -1.46 -2.26 113.55 116.28 1j3x h SER 66 Ca -0.00 -0.08 -0.21 0.00 -1.23 0.00 0.00 61.79 60.27 1j3x h SER 66 Cb 0.46 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1j3x h SER 66 CO 0.03 0.34 -0.99 -0.78 -0.53 0.00 0.00 176.83 174.91 1j3x h ASP 67 N 0.37 0.00 0.13 6.23 1.82 -1.60 -3.02 116.42 120.35 1j3x h ASP 67 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.73 1j3x h ASP 67 Cb 0.05 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 1j3x h ASP 67 CO -0.02 0.99 -0.10 0.50 -1.61 0.00 0.00 179.24 179.00 1j3x h LYS 68 N 0.00 0.00 0.00 0.28 3.64 -0.97 0.23 116.57 119.75 1j3x h LYS 68 Ca -0.01 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1j3x h LYS 68 Cb 1.76 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.54 1j3x h LYS 68 CO 0.13 0.10 -1.53 0.00 -2.27 0.00 0.00 179.45 175.88 1j3x h ALA 69 N 1.90 0.70 0.00 5.00 0.00 -1.43 -3.35 119.26 122.08 1j3x h ALA 69 Ca -0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 54.91 53.50 1j3x h ALA 69 Cb 0.19 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1j3x h ALA 69 CO 0.01 1.37 -0.82 -0.09 0.00 0.00 0.00 179.25 179.73 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 9.65 -1.30 -3.22 114.38 119.52 1j3x h ARG 70 Ca -0.22 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.64 1j3x h ARG 70 Cb 1.87 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.45 1j3x h ARG 70 CO 0.08 0.82 -0.07 -0.92 2.80 0.00 0.00 179.97 182.67 1j3x h TYR 71 N 0.00 0.00 -1.64 2.20 3.20 -1.10 -2.60 116.97 117.03 1j3x h TYR 71 Ca -0.01 0.00 -0.70 0.00 3.14 0.00 0.00 58.73 61.16 1j3x h TYR 71 Cb 1.58 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 39.59 1j3x h TYR 71 CO 0.00 0.07 0.92 -3.47 -1.64 0.00 0.00 178.16 174.04 1j3x n ASP 72 N -4.38 7.39 0.00 -2.11 -0.08 -1.21 -4.00 116.55 112.16 1j3x n ASP 72 Ca -0.03 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.53 1j3x n ASP 72 Cb 0.15 -1.08 0.00 0.00 2.34 0.00 0.00 41.12 42.54 1j3x n ASP 72 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1j3x n ARG 73 N -0.39 0.00 0.13 -0.67 1.74 -1.00 -4.92 116.66 111.56 1j3x n ARG 73 Ca 0.54 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.67 1j3x n ARG 73 Cb 0.36 -0.03 0.03 0.00 -1.02 0.00 0.00 32.46 31.81 1j3x n ARG 73 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1j3x h GLU 74 N 0.00 0.00 -1.30 5.56 4.81 -1.70 -3.31 114.58 118.64 1j3x h GLU 74 Ca 0.00 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.72 1j3x h GLU 74 Cb 0.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.17 1j3x h GLU 74 CO 0.00 0.32 0.65 -0.12 -0.73 0.00 0.00 179.01 179.13 1j3x n MET 75 N -3.09 2.26 -4.40 1.92 1.56 -1.26 -4.92 117.12 109.20 1j3x n MET 75 Ca 0.00 -2.45 -0.23 0.00 -0.27 0.00 0.00 57.70 54.76 1j3x n MET 75 Cb 0.70 -1.96 -0.11 0.00 2.15 0.00 0.00 33.22 34.00 1j3x n MET 75 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1j3x s LYS 76 N -2.82 1.47 0.00 2.12 1.02 -1.25 -5.05 119.74 115.24 1j3x s LYS 76 Ca 0.48 -1.60 0.20 0.00 0.02 0.00 0.00 55.97 55.08 1j3x s LYS 76 Cb 0.38 -1.53 0.16 0.00 -0.52 0.00 0.00 37.83 36.31 1j3x s LYS 76 CO -0.02 0.30 1.13 0.09 -0.92 0.00 0.00 175.35 175.92