#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 -3.20 1.26 -5.12 0.00 -1.26 -4.91 105.19 91.96 1j3x n GLY 2 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 1j3x n GLY 2 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1j3x n LYS 3 N 0.11 0.00 -3.35 1.61 0.00 -1.26 -4.47 118.16 110.81 1j3x n LYS 3 Ca 0.00 -1.52 -0.20 0.00 -0.00 0.00 0.00 58.31 56.59 1j3x n LYS 3 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 35.03 35.27 1j3x n LYS 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1j3x s GLY 4 N -1.52 2.04 -0.38 2.58 0.00 -1.26 -5.04 107.32 103.73 1j3x s GLY 4 Ca 0.18 -1.79 0.11 0.00 0.00 0.00 0.00 44.72 43.22 1j3x s GLY 4 CO -0.09 -1.67 1.06 1.34 0.00 0.00 0.00 173.10 173.74 1j3x n ASP 5 N -1.79 -0.49 -0.04 1.64 -0.08 -1.26 -4.33 116.55 110.20 1j3x n ASP 5 Ca 0.06 -2.92 -0.16 0.00 -1.51 0.00 0.00 54.79 50.26 1j3x n ASP 5 Cb 0.61 0.44 -0.08 0.00 2.34 0.00 0.00 41.12 44.44 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1j3x h PRO 6 N 2.71 0.59 0.00 -0.67 0.13 -1.97 -3.44 132.00 129.34 1j3x h PRO 6 Ca -0.11 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1j3x h PRO 6 Cb 1.15 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1j3x h PRO 6 CO 0.25 1.07 0.00 0.09 -0.23 0.00 0.00 178.00 179.19 1j3x n ASN 7 N -4.19 0.00 -4.90 1.44 3.02 -1.26 -5.11 115.26 104.26 1j3x n ASN 7 Ca -0.07 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.20 1j3x n ASN 7 Cb 0.61 0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.81 1j3x n ASN 7 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1j3x s LYS 8 N -1.98 3.25 0.85 3.52 0.00 -1.26 -5.06 119.74 119.05 1j3x s LYS 8 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 55.97 56.10 1j3x s LYS 8 Cb 0.00 -2.25 0.10 0.00 0.00 0.00 0.00 37.83 35.68 1j3x s LYS 8 CO 0.00 -0.54 1.10 -1.25 0.00 0.00 0.00 175.35 174.66 1j3x s PRO 9 N -4.98 1.65 0.52 1.78 0.04 -1.26 -4.56 135.00 128.19 1j3x s PRO 9 Ca 0.52 0.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 1j3x s PRO 9 Cb -0.11 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1j3x s PRO 9 CO 0.47 -1.94 0.99 0.50 0.04 0.00 0.00 177.00 177.06 1j3x s ARG 10 N -5.05 3.93 1.07 4.56 3.52 -1.26 -4.93 118.95 120.78 1j3x s ARG 10 Ca 0.62 0.97 -0.12 0.00 -0.13 0.00 0.00 55.73 57.07 1j3x s ARG 10 Cb -0.16 -2.13 0.23 0.00 -1.56 0.00 0.00 34.95 31.32 1j3x s ARG 10 CO 0.55 -0.29 1.06 0.20 -0.81 0.00 0.00 175.30 176.02 1j3x s GLY 11 N -3.04 1.57 0.00 8.12 0.00 -1.26 -5.06 107.32 107.64 1j3x s GLY 11 Ca 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1j3x s GLY 11 CO 0.31 0.48 0.00 0.28 0.00 0.00 0.00 173.10 174.17 1j3x n LYS 12 N -4.52 1.68 -0.76 2.90 5.02 -1.26 -5.09 118.16 116.14 1j3x n LYS 12 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1j3x n LYS 12 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 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 -0.51 1.92 -3.87 1.97 2.81 -1.26 -5.09 117.12 113.10 1j3x n MET 13 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1j3x n MET 13 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 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 0.23 0.56 7.83 0.15 -1.26 -4.92 113.70 115.43 1j3x s SER 14 Ca 0.00 -1.25 0.24 0.00 0.70 0.00 0.00 55.95 55.64 1j3x s SER 14 Cb 0.00 0.82 1.54 0.00 -1.71 0.00 0.00 66.02 66.67 1j3x s SER 14 CO 0.00 -1.63 2.16 0.77 1.20 0.00 0.00 173.24 175.74 1j3x h SER 15 N 2.02 0.00 1.06 5.45 4.64 -1.92 -0.54 113.55 124.26 1j3x h SER 15 Ca -0.32 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.82 1j3x h SER 15 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 1j3x h SER 15 CO 0.41 0.00 -0.86 0.22 -0.87 0.00 0.00 176.83 175.73 1j3x h TYR 16 N 0.00 0.00 0.18 4.77 3.20 -1.95 -2.95 116.97 120.21 1j3x h TYR 16 Ca 0.04 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.62 1j3x h TYR 16 Cb 0.21 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.50 1j3x h TYR 16 CO 0.00 0.86 -1.34 0.00 -1.64 0.00 0.00 178.16 176.04 1j3x h ALA 17 N 1.14 0.00 0.00 1.82 0.00 -1.53 -3.28 119.26 117.41 1j3x h ALA 17 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 1j3x h ALA 17 Cb 1.63 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1j3x h ALA 17 CO 0.11 0.87 -0.47 0.74 0.00 0.00 0.00 179.25 180.50 1j3x h PHE 18 N 0.10 0.00 -0.37 0.00 0.04 -1.30 -1.76 116.94 113.65 1j3x h PHE 18 Ca -0.18 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1j3x h PHE 18 Cb 2.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.18 1j3x h PHE 18 CO 0.09 0.47 0.16 0.35 -0.60 0.00 0.00 178.31 178.78 1j3x h PHE 19 N 0.00 0.55 0.03 -0.55 3.57 -1.57 0.90 116.94 119.87 1j3x h PHE 19 Ca -0.00 -0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.24 1j3x h PHE 19 Cb 0.88 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1j3x h PHE 19 CO 0.00 0.49 -0.98 0.28 -2.23 0.00 0.00 178.31 175.87 1j3x h VAL 20 N 0.46 1.48 -0.37 1.41 2.07 -1.61 -1.63 116.25 118.05 1j3x h VAL 20 Ca 0.13 -2.69 -0.12 0.00 0.82 0.00 0.00 66.70 64.84 1j3x h VAL 20 Cb 0.16 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1j3x h VAL 20 CO -0.01 0.79 -0.25 -0.61 0.02 0.00 0.00 177.57 177.51 1j3x h GLN 21 N 0.13 0.76 0.00 1.57 -0.00 -1.15 -0.35 115.11 116.07 1j3x h GLN 21 Ca -0.07 -0.31 -0.19 0.00 -0.00 0.00 0.00 58.65 58.07 1j3x h GLN 21 Cb 1.63 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 29.06 1j3x h GLN 21 CO 0.16 0.93 -0.97 1.15 0.00 0.00 0.00 178.83 180.09 1j3x h THR 22 N 0.66 1.40 0.00 2.39 2.02 -0.85 -3.15 112.91 115.38 1j3x h THR 22 Ca 0.09 -3.04 -0.11 0.00 0.77 0.00 0.00 66.41 64.12 1j3x h THR 22 Cb 0.76 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 1j3x h THR 22 CO 0.06 0.80 -0.53 0.28 0.37 0.00 0.00 175.52 176.50 1j3x h SER 23 N 0.00 0.00 -0.01 4.18 0.02 -1.16 -3.21 113.55 113.37 1j3x h SER 23 Ca -0.04 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1j3x h SER 23 Cb 1.70 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.25 1j3x h SER 23 CO 0.11 0.53 -0.31 -0.09 -1.14 0.00 0.00 176.83 175.93 1j3x h ARG 24 N 0.00 0.22 -0.04 3.45 1.12 -1.11 -2.10 114.38 115.92 1j3x h ARG 24 Ca -0.01 -0.23 0.01 0.00 -1.11 0.00 0.00 59.98 58.65 1j3x h ARG 24 Cb 1.39 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 31.41 1j3x h ARG 24 CO 0.07 0.95 0.03 1.05 -3.11 0.00 0.00 179.97 178.96 1j3x h GLU 25 N -0.41 0.00 0.00 0.20 4.11 -1.64 -1.27 114.58 115.56 1j3x h GLU 25 Ca -0.04 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.26 1j3x h GLU 25 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1j3x h GLU 25 CO 0.06 0.00 -1.16 1.49 0.07 0.00 0.00 179.01 179.48 1j3x h GLU 26 N 0.00 0.00 -0.19 1.06 4.81 -1.55 -3.34 114.58 115.37 1j3x h GLU 26 Ca 0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1j3x h GLU 26 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1j3x h GLU 26 CO -0.00 0.29 -0.02 1.25 -0.73 0.00 0.00 179.01 179.80 1j3x h HIS 27 N 0.00 0.38 -0.01 0.92 2.76 -0.51 -2.90 115.15 115.80 1j3x h HIS 27 Ca -0.11 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 57.98 1j3x h HIS 27 Cb 1.46 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.32 1j3x h HIS 27 CO 0.00 0.57 -0.06 0.87 -1.30 0.00 0.00 177.93 178.01 1j3x h LYS 28 N 0.08 0.01 0.00 5.26 1.57 -1.66 0.23 116.57 122.06 1j3x h LYS 28 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1j3x h LYS 28 Cb 0.43 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1j3x h LYS 28 CO 0.01 0.07 -0.03 0.87 -0.57 0.00 0.00 179.45 179.81 1j3x h LYS 29 N 0.01 0.00 0.00 3.15 1.57 -1.62 -2.81 116.57 116.87 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1j3x h LYS 29 CO 0.01 0.03 -0.12 0.36 -0.57 0.00 0.00 179.45 179.16 1j3x n LYS 30 N -4.08 1.15 -3.14 3.15 2.85 -0.65 -4.88 118.16 112.56 1j3x n LYS 30 Ca -0.03 -1.91 -0.20 0.00 -1.05 0.00 0.00 58.31 55.11 1j3x n LYS 30 Cb 0.11 -1.13 -0.05 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.87 -1.40 -0.02 5.58 8.25 -0.02 -4.97 115.22 121.77 1j3x n HIS 31 Ca 0.09 -2.96 -0.15 0.00 -0.26 0.00 0.00 57.72 54.44 1j3x n HIS 31 Cb 0.59 0.35 -0.04 0.00 1.12 0.00 0.00 29.99 32.01 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 4.66 0.72 -1.86 -0.41 0.13 -1.85 -3.26 132.00 130.13 1j3x h PRO 32 Ca 0.10 -0.55 -0.75 0.00 -0.87 0.00 0.00 66.00 63.93 1j3x h PRO 32 Cb 0.94 0.10 -0.28 0.00 0.13 0.00 0.00 31.00 31.89 1j3x h PRO 32 CO 0.36 1.17 0.99 -3.47 -0.23 0.00 0.00 178.00 176.81 1j3x n ASP 33 N -3.93 7.47 -3.15 1.44 2.03 -1.26 -4.83 116.55 114.32 1j3x n ASP 33 Ca -0.06 -3.83 0.04 0.00 0.52 0.00 0.00 54.79 51.46 1j3x n ASP 33 Cb 0.71 -1.04 -0.01 0.00 -0.72 0.00 0.00 41.12 40.06 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1j3x s SER 34 N -1.25 -1.20 0.85 1.67 0.15 -1.23 -5.17 113.70 107.52 1j3x s SER 34 Ca 0.53 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1j3x s SER 34 Cb 0.45 1.92 0.00 0.00 -1.71 0.00 0.00 66.02 66.68 1j3x s SER 34 CO -0.36 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 172.66 1j3x n SER 35 N 5.41 -0.49 -3.01 5.45 7.64 -1.26 -4.90 113.62 122.45 1j3x n SER 35 Ca 0.00 -0.61 0.02 0.00 1.01 0.00 0.00 58.87 59.30 1j3x n SER 35 Cb 0.53 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1j3x n SER 35 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1j3x s VAL 36 N -0.85 -0.59 0.47 0.44 -7.23 -1.26 -5.10 120.40 106.28 1j3x s VAL 36 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 59.93 1j3x s VAL 36 Cb 0.00 -0.11 -0.07 0.00 0.56 0.00 0.00 36.38 36.76 1j3x s VAL 36 CO 0.00 0.00 1.32 0.20 -0.31 0.00 0.00 175.10 176.31 1j3x s ASN 37 N 2.09 5.83 0.38 4.85 0.01 -1.26 -4.79 114.94 122.04 1j3x s ASN 37 Ca 0.16 2.68 0.12 0.00 -0.71 0.00 0.00 52.86 55.11 1j3x s ASN 37 Cb -0.01 -2.63 0.91 0.00 0.41 0.00 0.00 41.25 39.92 1j3x s ASN 37 CO -0.13 -1.19 1.88 -0.26 -1.51 0.00 0.00 177.10 175.89 1j3x h PHE 38 N 2.06 0.71 -0.02 2.20 0.04 -2.01 0.07 116.94 119.99 1j3x h PHE 38 Ca -0.50 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.14 1j3x h PHE 38 Cb 1.27 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 39.21 1j3x h PHE 38 CO 0.50 0.25 -0.58 0.00 -0.60 0.00 0.00 178.31 177.88 1j3x h ALA 39 N 1.61 0.10 0.00 2.45 0.00 -1.97 1.11 119.26 122.57 1j3x h ALA 39 Ca 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1j3x h ALA 39 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1j3x h ALA 39 CO -0.19 0.36 0.00 0.93 0.00 0.00 0.00 179.25 180.35 1j3x h GLU 40 N -0.05 0.00 0.00 0.00 4.39 -1.66 -2.77 114.58 114.49 1j3x h GLU 40 Ca -0.07 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.40 1j3x h GLU 40 Cb 1.28 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 1j3x h GLU 40 CO 0.12 0.00 -1.80 0.34 -1.16 0.00 0.00 179.01 176.50 1j3x n PHE 41 N -2.53 0.00 0.11 4.33 7.35 -0.08 -4.42 117.46 122.22 1j3x n PHE 41 Ca -0.01 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.88 1j3x n PHE 41 Cb 0.12 -0.52 0.76 0.00 0.35 0.00 0.00 39.48 40.19 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 -0.46 0.00 0.40 -2.13 4.64 0.13 0.34 113.55 116.47 1j3x h SER 42 Ca -0.36 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.79 1j3x h SER 42 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1j3x h SER 42 CO -0.20 0.00 -0.72 0.11 -0.87 0.00 0.00 176.83 175.15 1j3x h LYS 43 N 0.00 0.27 0.11 4.77 1.79 -1.67 -2.98 116.57 118.85 1j3x h LYS 43 Ca 0.18 -0.22 -0.28 0.00 -2.18 0.00 0.00 60.65 58.14 1j3x h LYS 43 Cb 0.98 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1j3x h LYS 43 CO -0.00 0.87 -1.37 -0.22 -1.08 0.00 0.00 179.45 177.66 1j3x h LYS 44 N 0.18 0.22 0.00 3.15 3.11 -0.63 -3.28 116.57 119.33 1j3x h LYS 44 Ca -0.02 -0.38 -0.02 0.00 -2.81 0.00 0.00 60.65 57.41 1j3x h LYS 44 Cb 1.28 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 32.65 1j3x h LYS 44 CO 0.11 1.12 -0.09 0.00 -2.81 0.00 0.00 179.45 177.78 1j3x h SER 46 N 0.00 0.60 0.06 0.00 4.64 -1.58 0.55 113.55 117.82 1j3x h SER 46 Ca -0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1j3x h SER 46 Cb 0.17 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1j3x h SER 46 CO 0.01 0.51 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.03 1j3x h GLU 47 N 0.67 0.16 0.04 4.77 4.39 -1.47 0.22 114.58 123.36 1j3x h GLU 47 Ca 0.17 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.50 1j3x h GLU 47 Cb 0.07 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1j3x h GLU 47 CO -0.02 0.30 -1.94 -2.13 -1.16 0.00 0.00 179.01 174.06 1j3x n ARG 48 N -4.31 0.68 -0.05 2.33 0.63 -0.57 -3.29 116.66 112.08 1j3x n ARG 48 Ca -0.01 0.24 -0.08 0.00 -0.92 0.00 0.00 57.85 57.08 1j3x n ARG 48 Cb 0.25 -1.72 0.09 0.00 0.45 0.00 0.00 32.46 31.53 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 0.02 0.80 0.00 -0.14 2.91 0.26 0.15 115.95 119.95 1j3x h TRP 49 Ca -0.38 -0.21 -0.14 0.00 1.13 0.00 0.00 58.89 59.29 1j3x h TRP 49 Cb 2.04 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 30.49 1j3x h TRP 49 CO 0.03 0.92 -0.66 0.87 -1.03 0.00 0.00 178.44 178.56 1j3x h LYS 50 N 0.59 0.00 0.00 2.65 1.79 -1.12 -3.23 116.57 117.24 1j3x h LYS 50 Ca 0.07 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.37 1j3x h LYS 50 Cb 0.82 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 1j3x h LYS 50 CO 0.07 0.66 -1.20 1.79 -1.08 0.00 0.00 179.45 179.69 1j3x h THR 51 N 0.00 0.70 -4.19 -0.16 1.35 -1.51 -3.47 112.91 105.64 1j3x h THR 51 Ca -0.01 -2.21 -0.53 0.00 -0.55 0.00 0.00 66.41 63.11 1j3x h THR 51 Cb 1.36 2.22 0.20 0.00 -1.73 0.00 0.00 68.15 70.20 1j3x h THR 51 CO 0.09 0.40 0.20 0.23 -0.25 0.00 0.00 175.52 176.19 1j3x n MET 52 N -3.01 -0.27 -1.65 4.72 2.81 0.52 -5.03 117.12 115.21 1j3x n MET 52 Ca -0.07 -0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 55.76 1j3x n MET 52 Cb 0.84 -2.36 0.01 0.00 -0.71 0.00 0.00 33.22 31.01 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 -3.79 0.74 0.04 7.83 7.64 -1.26 -4.92 113.62 119.91 1j3x n SER 53 Ca 0.12 -1.43 0.11 0.00 1.01 0.00 0.00 58.87 58.67 1j3x n SER 53 Cb 0.52 -0.10 0.44 0.00 -1.01 0.00 0.00 64.21 64.06 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3x n ALA 54 N -2.79 1.91 0.12 -0.43 0.00 -1.26 -1.82 120.51 116.23 1j3x n ALA 54 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1j3x n ALA 54 Cb 0.16 -1.36 0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 0.03 0.00 0.00 1.79 -2.00 -2.24 116.57 114.15 1j3x h LYS 55 Ca 0.00 -0.02 -0.36 0.00 -2.18 0.00 0.00 60.65 58.09 1j3x h LYS 55 Cb 0.40 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.99 1j3x h LYS 55 CO 0.00 0.68 -2.36 0.39 -1.08 0.00 0.00 179.45 177.08 1j3x n GLU 56 N -3.76 0.60 0.24 3.15 1.02 -1.15 -4.38 120.64 116.37 1j3x n GLU 56 Ca -0.01 0.14 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 1j3x n GLU 56 Cb 0.65 -1.48 0.61 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.78 3.49 1.57 -1.48 -2.82 116.57 116.55 1j3x h LYS 57 Ca -0.53 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.21 1j3x h LYS 57 Cb 1.83 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.10 1j3x h LYS 57 CO -0.08 0.18 0.34 0.66 -0.57 0.00 0.00 179.45 179.98 1j3x h SER 58 N 0.00 1.05 -0.65 0.86 4.64 -1.60 -1.25 113.55 116.60 1j3x h SER 58 Ca -0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1j3x h SER 58 Cb 0.45 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1j3x h SER 58 CO 0.02 0.92 0.30 0.50 -0.87 0.00 0.00 176.83 177.70 1j3x h LYS 59 N 1.12 0.96 -0.01 4.77 3.64 -1.71 0.41 116.57 125.75 1j3x h LYS 59 Ca 0.26 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 1j3x h LYS 59 Cb 0.17 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1j3x h LYS 59 CO -0.03 0.76 -0.75 0.74 -2.27 0.00 0.00 179.45 177.90 1j3x h PHE 60 N 0.96 0.14 0.00 1.91 0.04 -1.52 -3.01 116.94 115.45 1j3x h PHE 60 Ca 0.23 -0.07 -0.20 0.00 2.80 0.00 0.00 57.97 60.73 1j3x h PHE 60 Cb 0.13 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1j3x h PHE 60 CO 0.01 0.81 -1.07 1.49 -0.60 0.00 0.00 178.31 178.96 1j3x h GLU 61 N 0.06 0.00 0.00 1.51 4.22 -0.72 -3.10 114.58 116.55 1j3x h GLU 61 Ca -0.02 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.33 1j3x h GLU 61 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1j3x h GLU 61 CO 0.11 0.73 -0.45 -0.44 -2.18 0.00 0.00 179.01 176.77 1j3x h ASP 62 N 0.00 0.00 0.92 1.04 3.32 -0.17 -2.55 116.42 118.98 1j3x h ASP 62 Ca -0.08 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 1j3x h ASP 62 Cb 1.72 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.23 1j3x h ASP 62 CO 0.10 0.45 -1.15 0.24 -1.72 0.00 0.00 179.24 177.16 1j3x h MET 63 N 0.00 0.00 -0.11 3.56 2.86 -1.59 -3.25 114.93 116.40 1j3x h MET 63 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 1j3x h MET 63 Cb 0.89 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1j3x h MET 63 CO 0.06 0.69 -0.82 0.00 1.06 0.00 0.00 176.91 177.90 1j3x h ALA 64 N 1.14 0.34 0.00 6.32 0.00 -1.45 -3.13 119.26 122.48 1j3x h ALA 64 Ca -0.10 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 1j3x h ALA 64 Cb 1.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1j3x h ALA 64 CO 0.09 0.71 -0.29 -0.22 0.00 0.00 0.00 179.25 179.54 1j3x h LYS 65 N 0.46 0.00 -0.64 0.00 1.63 -1.57 0.12 116.57 116.57 1j3x h LYS 65 Ca -0.06 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 1j3x h LYS 65 Cb 1.44 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.04 1j3x h LYS 65 CO 0.16 0.29 0.17 1.03 -3.45 0.00 0.00 179.45 177.65 1j3x h SER 66 N 0.00 0.92 0.46 4.20 0.87 -1.58 -1.92 113.55 116.51 1j3x h SER 66 Ca -0.00 -0.17 -0.26 0.00 -1.23 0.00 0.00 61.79 60.13 1j3x h SER 66 Cb 0.56 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1j3x h SER 66 CO 0.04 0.88 -1.73 -0.67 -0.53 0.00 0.00 176.83 174.81 1j3x n ASP 67 N -4.26 0.71 0.20 6.23 2.03 -1.05 -4.05 116.55 116.35 1j3x n ASP 67 Ca 0.05 0.33 0.05 0.00 0.52 0.00 0.00 54.79 55.73 1j3x n ASP 67 Cb 0.23 0.23 0.40 0.00 -0.72 0.00 0.00 41.12 41.26 1j3x n ASP 67 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1j3x h LYS 68 N 0.00 0.00 0.00 -0.67 3.64 -0.67 -2.67 116.57 116.20 1j3x h LYS 68 Ca -0.28 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1j3x h LYS 68 Cb 1.89 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.70 1j3x h LYS 68 CO 0.06 0.35 -0.44 0.00 -2.27 0.00 0.00 179.45 177.15 1j3x h ALA 69 N 1.65 1.11 0.00 5.00 0.00 -1.49 -2.86 119.26 122.67 1j3x h ALA 69 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1j3x h ALA 69 Cb 0.68 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1j3x h ALA 69 CO 0.04 0.55 -0.09 -0.09 0.00 0.00 0.00 179.25 179.67 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 9.65 -1.64 -1.72 114.38 120.68 1j3x h ARG 70 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 1j3x h ARG 70 Cb 0.86 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 1j3x h ARG 70 CO 0.06 0.09 -0.21 -0.92 2.80 0.00 0.00 179.97 181.78 1j3x h TYR 71 N 0.00 0.00 -0.39 2.20 5.03 -1.62 -2.44 116.97 119.75 1j3x h TYR 71 Ca -0.00 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 1j3x h TYR 71 Cb 0.17 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 1j3x h TYR 71 CO 0.00 0.21 -0.13 -0.44 -1.32 0.00 0.00 178.16 176.48 1j3x h ASP 72 N 0.00 0.70 -0.95 -2.11 5.19 -1.46 -2.96 116.42 114.84 1j3x h ASP 72 Ca -0.00 -0.21 -0.65 0.00 -0.62 0.00 0.00 57.03 55.55 1j3x h ASP 72 Cb 0.38 -0.19 -0.32 0.00 0.18 0.00 0.00 39.33 39.39 1j3x h ASP 72 CO 0.03 0.85 0.54 0.54 -3.12 0.00 0.00 179.24 178.08 1j3x n ARG 73 N -4.16 2.85 -0.04 3.56 1.74 -0.93 -4.35 116.66 115.32 1j3x n ARG 73 Ca 0.01 -3.45 -0.09 0.00 -0.77 0.00 0.00 57.85 53.55 1j3x n ARG 73 Cb 0.36 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 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 -0.89 0.18 -0.08 5.56 2.13 -1.12 -4.87 120.64 121.56 1j3x n GLU 74 Ca 0.59 0.08 -0.11 0.00 0.66 0.00 0.00 57.16 58.38 1j3x n GLU 74 Cb 0.75 -0.81 -0.06 0.00 0.27 0.00 0.00 31.44 31.59 1j3x n GLU 74 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1j3x h MET 75 N -0.31 0.00 0.00 5.31 2.86 -1.79 -3.50 114.93 117.49 1j3x h MET 75 Ca -0.21 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1j3x h MET 75 Cb 1.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1j3x h MET 75 CO -0.12 0.45 -0.01 1.63 1.06 0.00 0.00 176.91 179.92 1j3x n LYS 76 N -4.58 -0.08 0.00 1.72 5.02 -1.26 -5.20 118.16 113.78 1j3x n LYS 76 Ca -0.15 0.05 0.10 0.00 -2.02 0.00 0.00 58.31 56.30 1j3x n LYS 76 Cb 0.39 -0.10 0.09 0.00 -0.02 0.00 0.00 35.03 35.39 1j3x n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17