#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 -1.79 3.80 3.03 0.00 -1.26 -5.05 105.19 103.93 1j3x n GLY 2 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.25 -4.88 -0.81 1.61 4.81 -1.26 -4.94 118.16 112.44 1j3x n LYS 3 Ca 0.00 0.58 -0.28 0.00 -0.87 0.00 0.00 58.31 57.74 1j3x n LYS 3 Cb 0.00 -5.19 0.22 0.00 0.02 0.00 0.00 35.03 30.08 1j3x n LYS 3 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1j3x s GLY 4 N -4.03 1.55 0.14 3.14 0.00 -1.18 -4.93 107.32 102.02 1j3x s GLY 4 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1j3x s GLY 4 CO 0.83 0.45 0.00 1.22 0.00 0.00 0.00 173.10 175.59 1j3x n ASP 5 N -4.62 -1.25 -0.03 1.64 8.00 0.17 -4.39 116.55 116.07 1j3x n ASP 5 Ca 0.04 0.61 -0.16 0.00 0.71 0.00 0.00 54.79 55.99 1j3x n ASP 5 Cb 0.56 1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 43.08 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 0.00 0.56 0.00 -0.24 0.13 -1.98 -3.43 132.00 127.04 1j3x h PRO 6 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1j3x h PRO 6 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1j3x h PRO 6 CO 0.00 1.07 -0.73 0.09 -0.23 0.00 0.00 178.00 178.20 1j3x n ASN 7 N -4.21 0.10 -4.78 1.44 3.02 -1.26 -5.06 115.26 104.52 1j3x n ASN 7 Ca -0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 1j3x n ASN 7 Cb 0.61 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.73 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 -1.99 4.35 0.96 3.52 3.01 -1.26 -5.04 119.74 123.28 1j3x s LYS 8 Ca 0.00 1.47 -0.13 0.00 -1.01 0.00 0.00 55.97 56.30 1j3x s LYS 8 Cb 0.00 -2.68 0.16 0.00 -1.01 0.00 0.00 37.83 34.31 1j3x s LYS 8 CO 0.00 0.03 1.12 -1.25 0.51 0.00 0.00 175.35 175.77 1j3x s PRO 9 N -2.27 0.78 -0.24 -1.68 0.04 -1.26 0.43 135.00 130.80 1j3x s PRO 9 Ca 0.54 0.34 0.08 0.00 0.04 0.00 0.00 61.00 62.00 1j3x s PRO 9 Cb -0.21 -1.79 0.26 0.00 0.04 0.00 0.00 34.50 32.79 1j3x s PRO 9 CO 0.27 -2.46 1.18 -2.13 0.04 0.00 0.00 177.00 173.90 1j3x n ARG 10 N -3.95 0.86 0.00 4.56 0.63 -1.26 -3.08 116.66 114.41 1j3x n ARG 10 Ca 0.06 -0.85 0.00 0.00 -0.92 0.00 0.00 57.85 56.14 1j3x n ARG 10 Cb 0.59 0.23 0.00 0.00 0.45 0.00 0.00 32.46 33.73 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j3x n GLY 11 N -0.93 0.38 0.00 5.14 0.00 -1.26 -4.96 105.19 103.56 1j3x n GLY 11 Ca -0.12 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.48 0.83 -0.29 1.61 5.02 -1.26 -4.96 118.16 119.60 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 -0.12 -0.52 0.00 0.00 177.40 176.76 1j3x n MET 13 N -0.82 0.00 -4.13 1.97 1.56 -1.26 -5.00 117.12 109.44 1j3x n MET 13 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.27 1j3x n MET 13 Cb 0.00 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.32 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1j3x s SER 14 N 1.17 1.05 0.35 6.12 0.15 -1.26 -4.78 113.70 116.49 1j3x s SER 14 Ca 0.00 -1.53 0.14 0.00 0.70 0.00 0.00 55.95 55.26 1j3x s SER 14 Cb 0.00 0.63 0.62 0.00 -1.71 0.00 0.00 66.02 65.56 1j3x s SER 14 CO 0.00 -1.24 1.74 0.77 1.20 0.00 0.00 173.24 175.71 1j3x h SER 15 N 2.13 0.00 0.56 5.45 4.64 -1.93 -2.82 113.55 121.58 1j3x h SER 15 Ca -0.28 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 1j3x h SER 15 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1j3x h SER 15 CO 0.39 0.45 -0.41 0.22 -0.87 0.00 0.00 176.83 176.60 1j3x h TYR 16 N 0.00 0.00 0.01 4.77 5.03 -1.96 -1.39 116.97 123.43 1j3x h TYR 16 Ca -0.00 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.11 1j3x h TYR 16 Cb 0.87 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.13 1j3x h TYR 16 CO 0.00 0.41 -0.89 0.00 -1.32 0.00 0.00 178.16 176.36 1j3x h ALA 17 N 1.59 0.53 0.00 1.82 0.00 -1.91 -3.15 119.26 118.14 1j3x h ALA 17 Ca -0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 54.91 53.94 1j3x h ALA 17 Cb 0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1j3x h ALA 17 CO 0.05 1.00 -1.08 0.74 0.00 0.00 0.00 179.25 179.96 1j3x h PHE 18 N 0.05 0.00 -0.53 0.00 -1.00 -1.43 -2.82 116.94 111.21 1j3x h PHE 18 Ca -0.03 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.65 1j3x h PHE 18 Cb 1.54 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.08 1j3x h PHE 18 CO 0.02 0.88 -0.05 0.35 -1.61 0.00 0.00 178.31 177.90 1j3x h PHE 19 N 0.00 1.02 0.08 -0.55 3.57 -1.28 -1.39 116.94 118.39 1j3x h PHE 19 Ca -0.07 -0.18 -0.25 0.00 3.53 0.00 0.00 57.97 60.99 1j3x h PHE 19 Cb 1.74 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1j3x h PHE 19 CO 0.00 0.94 -1.17 0.28 -2.23 0.00 0.00 178.31 176.13 1j3x h VAL 20 N 0.85 1.56 0.00 1.41 2.07 -1.64 -2.75 116.25 117.76 1j3x h VAL 20 Ca 0.15 -3.18 -0.09 0.00 0.82 0.00 0.00 66.70 64.39 1j3x h VAL 20 Cb 0.57 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1j3x h VAL 20 CO 0.03 0.92 -0.43 1.56 0.02 0.00 0.00 177.57 179.67 1j3x h GLN 21 N 0.05 0.00 0.00 1.57 1.08 -1.36 0.43 115.11 116.87 1j3x h GLN 21 Ca -0.10 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.88 1j3x h GLN 21 Cb 1.90 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.30 1j3x h GLN 21 CO 0.17 0.43 -1.24 1.15 -0.95 0.00 0.00 178.83 178.40 1j3x h THR 22 N 0.00 1.27 0.00 -0.54 2.02 -1.29 -2.98 112.91 111.39 1j3x h THR 22 Ca -0.00 -2.99 -0.27 0.00 0.77 0.00 0.00 66.41 63.91 1j3x h THR 22 Cb 0.81 2.61 -0.05 0.00 -1.74 0.00 0.00 68.15 69.79 1j3x h THR 22 CO 0.06 0.72 -1.63 0.28 0.37 0.00 0.00 175.52 175.32 1j3x h SER 23 N 0.00 0.00 0.18 4.18 0.02 -1.32 -3.29 113.55 113.32 1j3x h SER 23 Ca -0.12 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.59 1j3x h SER 23 Cb 1.82 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.37 1j3x h SER 23 CO 0.10 0.94 -0.98 -0.09 -1.14 0.00 0.00 176.83 175.66 1j3x h ARG 24 N 0.00 0.54 -0.22 3.45 1.12 -0.27 -2.65 114.38 116.35 1j3x h ARG 24 Ca -0.26 -0.58 -0.08 0.00 -1.11 0.00 0.00 59.98 57.95 1j3x h ARG 24 Cb 1.94 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 32.05 1j3x h ARG 24 CO 0.08 1.20 -0.21 0.93 -3.11 0.00 0.00 179.97 178.86 1j3x h GLU 25 N 0.31 0.39 -0.01 0.20 5.08 -1.68 -2.37 114.58 116.50 1j3x h GLU 25 Ca -0.10 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1j3x h GLU 25 Cb 1.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1j3x h GLU 25 CO 0.18 0.59 -0.00 -1.91 -1.00 0.00 0.00 179.01 176.86 1j3x n GLU 26 N -4.17 1.58 -0.08 2.33 2.13 -1.21 -4.08 120.64 117.15 1j3x n GLU 26 Ca -0.00 -0.86 -0.14 0.00 0.66 0.00 0.00 57.16 56.82 1j3x n GLU 26 Cb 0.36 -1.48 -0.08 0.00 0.27 0.00 0.00 31.44 30.50 1j3x n GLU 26 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1j3x h HIS 27 N 2.10 0.00 -0.11 4.31 2.76 -1.05 -3.36 115.15 119.80 1j3x h HIS 27 Ca 0.00 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1j3x h HIS 27 Cb 0.45 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1j3x h HIS 27 CO 0.00 0.88 0.09 -0.22 -1.30 0.00 0.00 177.93 177.39 1j3x h LYS 28 N -1.00 0.00 0.00 5.26 3.64 -1.72 0.21 116.57 122.96 1j3x h LYS 28 Ca -0.15 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1j3x h LYS 28 Cb 0.91 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1j3x h LYS 28 CO -0.09 0.00 -0.09 0.87 -2.27 0.00 0.00 179.45 177.87 1j3x h LYS 29 N 0.00 0.00 0.00 1.90 1.57 -1.71 -3.02 116.57 115.31 1j3x h LYS 29 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1j3x h LYS 29 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1j3x h LYS 29 CO -0.00 0.09 -0.15 0.36 -0.57 0.00 0.00 179.45 179.18 1j3x n LYS 30 N -4.00 1.04 -3.06 3.15 2.85 -0.26 -4.84 118.16 113.04 1j3x n LYS 30 Ca -0.02 -1.65 -0.16 0.00 -1.05 0.00 0.00 58.31 55.43 1j3x n LYS 30 Cb 0.18 -0.98 -0.00 0.00 -0.65 0.00 0.00 35.03 33.57 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 -0.66 -0.24 0.12 5.58 8.25 0.57 -4.92 115.22 123.92 1j3x n HIS 31 Ca 0.06 -3.43 -0.02 0.00 -0.26 0.00 0.00 57.72 54.07 1j3x n HIS 31 Cb 0.57 -0.06 0.14 0.00 1.12 0.00 0.00 29.99 31.75 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 2.98 0.03 0.11 -0.41 0.13 -1.83 -3.28 132.00 129.73 1j3x h PRO 32 Ca 0.04 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.95 1j3x h PRO 32 Cb 1.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.16 1j3x h PRO 32 CO 0.43 0.67 -0.98 0.22 -0.23 0.00 0.00 178.00 178.11 1j3x h ASP 33 N 0.02 0.38 -3.99 1.44 3.58 -1.93 -3.46 116.42 112.46 1j3x h ASP 33 Ca -0.01 -0.90 -0.45 0.00 0.42 0.00 0.00 57.03 56.09 1j3x h ASP 33 Cb 1.16 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 1j3x h ASP 33 CO 0.09 1.45 0.34 -0.94 -2.88 0.00 0.00 179.24 177.30 1j3x s SER 34 N -6.93 7.09 0.67 2.28 1.04 -1.24 -5.07 113.70 111.55 1j3x s SER 34 Ca -0.17 1.75 -0.00 0.00 0.48 0.00 0.00 55.95 58.01 1j3x s SER 34 Cb 0.02 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.70 1j3x s SER 34 CO 0.79 -0.25 0.79 -0.24 0.98 0.00 0.00 173.24 175.30 1j3x n SER 35 N -0.16 1.04 -2.71 7.02 2.88 -1.26 -4.88 113.62 115.55 1j3x n SER 35 Ca 0.05 -1.88 -0.06 0.00 -1.33 0.00 0.00 58.87 55.65 1j3x n SER 35 Cb 0.52 -0.51 0.08 0.00 -0.75 0.00 0.00 64.21 63.55 1j3x n SER 35 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1j3x n VAL 36 N -2.55 0.00 -0.11 2.46 3.14 -1.26 -5.06 118.33 114.94 1j3x n VAL 36 Ca 0.13 -1.13 -0.13 0.00 -2.96 0.00 0.00 64.34 60.25 1j3x n VAL 36 Cb 0.46 1.31 0.12 0.00 -1.06 0.00 0.00 33.84 34.68 1j3x n VAL 36 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1j3x n ASN 37 N 1.06 -2.83 -0.04 6.55 3.02 -1.26 -4.70 115.26 117.05 1j3x n ASN 37 Ca 0.03 -0.36 -0.16 0.00 -0.03 0.00 0.00 54.58 54.07 1j3x n ASN 37 Cb 0.69 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1j3x h PHE 38 N -2.64 0.91 -0.22 3.10 0.04 -2.01 -2.94 116.94 113.16 1j3x h PHE 38 Ca -0.16 -0.37 -0.10 0.00 2.80 0.00 0.00 57.97 60.14 1j3x h PHE 38 Cb 0.55 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1j3x h PHE 38 CO 0.00 1.17 -0.23 0.00 -0.60 0.00 0.00 178.31 178.65 1j3x h ALA 39 N 0.56 0.33 0.00 2.45 0.00 -1.96 1.57 119.26 122.21 1j3x h ALA 39 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1j3x h ALA 39 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1j3x h ALA 39 CO 0.12 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.60 1j3x h GLU 40 N 0.25 0.00 0.00 0.00 4.39 -1.90 -2.68 114.58 114.63 1j3x h GLU 40 Ca 0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.57 1j3x h GLU 40 Cb 0.79 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 1j3x h GLU 40 CO 0.06 0.00 -1.58 0.34 -1.16 0.00 0.00 179.01 176.67 1j3x n PHE 41 N -2.48 0.00 0.31 4.33 7.35 -1.02 -4.31 117.46 121.64 1j3x n PHE 41 Ca -0.01 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1j3x n PHE 41 Cb 0.10 -0.39 1.04 0.00 0.35 0.00 0.00 39.48 40.58 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 -0.13 0.00 0.77 -2.13 4.64 0.23 0.12 113.55 117.05 1j3x h SER 42 Ca -0.24 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.88 1j3x h SER 42 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1j3x h SER 42 CO -0.08 0.00 -1.34 0.11 -0.87 0.00 0.00 176.83 174.65 1j3x h LYS 43 N 0.00 0.00 0.16 4.77 1.57 -1.66 -3.34 116.57 118.07 1j3x h LYS 43 Ca 0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 1j3x h LYS 43 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1j3x h LYS 43 CO -0.00 0.44 -1.67 -0.22 -0.57 0.00 0.00 179.45 177.43 1j3x h LYS 44 N 0.00 0.34 -0.25 3.15 3.11 -1.23 -3.34 116.57 118.36 1j3x h LYS 44 Ca -0.16 -0.58 0.01 0.00 -2.81 0.00 0.00 60.65 57.11 1j3x h LYS 44 Cb 1.70 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 33.13 1j3x h LYS 44 CO 0.07 1.23 0.16 0.00 -2.81 0.00 0.00 179.45 178.10 1j3x h SER 46 N 0.30 0.60 0.06 0.00 0.87 -1.68 0.24 113.55 113.94 1j3x h SER 46 Ca 0.09 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1j3x h SER 46 Cb 0.01 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1j3x h SER 46 CO -0.02 0.60 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.48 1j3x h GLU 47 N 0.64 0.01 0.01 2.24 4.39 -1.46 0.16 114.58 120.57 1j3x h GLU 47 Ca 0.15 -0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.51 1j3x h GLU 47 Cb 0.24 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 1j3x h GLU 47 CO -0.00 0.08 -2.04 -2.13 -1.16 0.00 0.00 179.01 173.76 1j3x n ARG 48 N -4.45 0.66 -0.04 2.33 3.00 -0.75 -3.63 116.66 113.78 1j3x n ARG 48 Ca -0.03 0.16 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 1j3x n ARG 48 Cb 0.15 -1.67 -0.08 0.00 0.00 0.00 0.00 32.46 30.87 1j3x n ARG 48 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 1j3x h TRP 49 N 0.00 0.33 0.00 -0.14 2.91 -0.20 -0.29 115.95 118.57 1j3x h TRP 49 Ca -0.41 -0.11 -0.06 0.00 1.13 0.00 0.00 58.89 59.44 1j3x h TRP 49 Cb 2.11 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.68 1j3x h TRP 49 CO 0.01 0.71 -0.27 0.87 -1.03 0.00 0.00 178.44 178.73 1j3x h LYS 50 N -0.15 0.00 0.00 2.65 1.57 -1.17 -2.73 116.57 116.74 1j3x h LYS 50 Ca 0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1j3x h LYS 50 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1j3x h LYS 50 CO 0.03 0.27 -0.92 1.79 -0.57 0.00 0.00 179.45 180.05 1j3x h THR 51 N 0.00 0.54 -3.98 -0.16 1.35 -1.60 -3.47 112.91 105.59 1j3x h THR 51 Ca -0.00 -1.88 -0.55 0.00 -0.55 0.00 0.00 66.41 63.43 1j3x h THR 51 Cb 0.57 2.11 0.18 0.00 -1.73 0.00 0.00 68.15 69.28 1j3x h THR 51 CO 0.03 0.31 0.22 0.23 -0.25 0.00 0.00 175.52 176.07 1j3x n MET 52 N -3.00 0.41 -2.89 4.72 2.81 -0.13 -5.02 117.12 114.02 1j3x n MET 52 Ca -0.03 0.20 -0.20 0.00 -1.81 0.00 0.00 57.70 55.86 1j3x n MET 52 Cb 0.74 -2.34 0.06 0.00 -0.71 0.00 0.00 33.22 30.97 1j3x n MET 52 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1j3x s SER 53 N -1.83 5.06 0.42 7.83 1.04 -1.26 -4.86 113.70 120.10 1j3x s SER 53 Ca 0.74 -0.57 0.20 0.00 0.48 0.00 0.00 55.95 56.80 1j3x s SER 53 Cb -0.32 -0.08 0.91 0.00 0.10 0.00 0.00 66.02 66.63 1j3x s SER 53 CO 0.50 -1.32 1.85 0.00 0.98 0.00 0.00 173.24 175.25 1j3x h ALA 54 N 0.10 1.16 -0.06 5.32 0.00 -1.96 0.32 119.26 124.14 1j3x h ALA 54 Ca -0.34 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1j3x h ALA 54 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1j3x h ALA 54 CO 0.43 0.37 -0.42 0.87 0.00 0.00 0.00 179.25 180.49 1j3x h LYS 55 N 0.00 0.13 0.04 0.00 1.57 -2.00 -1.91 116.57 114.40 1j3x h LYS 55 Ca -0.00 -0.06 -0.38 0.00 -1.87 0.00 0.00 60.65 58.34 1j3x h LYS 55 Cb 0.68 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 1j3x h LYS 55 CO 0.04 0.53 -2.24 0.39 -0.57 0.00 0.00 179.45 177.61 1j3x n GLU 56 N -4.02 0.67 0.30 3.15 1.02 -1.03 -4.20 120.64 116.52 1j3x n GLU 56 Ca -0.02 0.24 0.16 0.00 -0.02 0.00 0.00 57.16 57.52 1j3x n GLU 56 Cb 0.47 -1.59 0.94 0.00 -0.02 0.00 0.00 31.44 31.23 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 -0.21 0.00 -0.06 3.49 1.57 -0.43 -1.72 116.57 119.21 1j3x h LYS 57 Ca -0.53 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1j3x h LYS 57 Cb 1.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 1j3x h LYS 57 CO -0.09 0.02 -0.10 0.66 -0.57 0.00 0.00 179.45 179.37 1j3x h SER 58 N 0.00 0.09 0.09 0.86 4.64 -1.51 -1.74 113.55 115.97 1j3x h SER 58 Ca -0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1j3x h SER 58 Cb 0.08 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1j3x h SER 58 CO 0.00 0.21 -0.09 0.50 -0.87 0.00 0.00 176.83 176.58 1j3x h LYS 59 N 0.09 0.02 0.00 4.77 3.64 -1.53 0.27 116.57 123.83 1j3x h LYS 59 Ca 0.02 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.14 1j3x h LYS 59 Cb 0.24 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1j3x h LYS 59 CO 0.01 0.11 -1.61 0.74 -2.27 0.00 0.00 179.45 176.44 1j3x h PHE 60 N 0.02 0.00 0.00 1.91 0.04 -1.49 -3.28 116.94 114.13 1j3x h PHE 60 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.56 1j3x h PHE 60 Cb 0.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 1j3x h PHE 60 CO 0.00 0.89 -1.06 1.49 -0.60 0.00 0.00 178.31 179.03 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.81 -0.90 -2.80 114.58 117.20 1j3x h GLU 61 Ca -0.25 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 1j3x h GLU 61 Cb 1.90 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 1j3x h GLU 61 CO 0.07 0.95 -0.61 0.22 -0.73 0.00 0.00 179.01 178.91 1j3x h ASP 62 N 0.00 0.00 0.88 1.04 3.58 -0.63 -2.07 116.42 119.22 1j3x h ASP 62 Ca -0.03 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.20 1j3x h ASP 62 Cb 1.79 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.80 1j3x h ASP 62 CO 0.13 0.61 -1.19 0.24 -2.88 0.00 0.00 179.24 176.15 1j3x h MET 63 N 0.00 0.00 0.12 0.28 2.86 -1.61 -3.22 114.93 113.36 1j3x h MET 63 Ca -0.01 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 1j3x h MET 63 Cb 1.17 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.85 1j3x h MET 63 CO 0.08 0.73 -1.23 0.00 1.06 0.00 0.00 176.91 177.55 1j3x h ALA 64 N 1.10 0.06 0.00 6.32 0.00 -1.45 -3.24 119.26 122.04 1j3x h ALA 64 Ca -0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 1j3x h ALA 64 Cb 1.78 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1j3x h ALA 64 CO 0.10 0.77 -0.28 -0.22 0.00 0.00 0.00 179.25 179.62 1j3x h LYS 65 N 0.21 0.00 0.29 0.00 1.63 -1.49 0.13 116.57 117.33 1j3x h LYS 65 Ca -0.17 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 1j3x h LYS 65 Cb 1.91 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.54 1j3x h LYS 65 CO 0.22 0.28 -0.14 1.03 -3.45 0.00 0.00 179.45 177.40 1j3x h SER 66 N 0.00 -0.33 0.72 4.20 0.87 -1.58 -1.51 113.55 115.93 1j3x h SER 66 Ca -0.00 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.29 1j3x h SER 66 Cb 0.52 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1j3x h SER 66 CO 0.04 -0.03 -0.57 -0.78 -0.53 0.00 0.00 176.83 174.96 1j3x h ASP 67 N -0.64 0.00 0.50 6.23 1.82 -1.58 0.12 116.42 122.88 1j3x h ASP 67 Ca -0.04 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.52 1j3x h ASP 67 Cb 0.45 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1j3x h ASP 67 CO 0.06 0.57 -0.38 0.50 -1.61 0.00 0.00 179.24 178.38 1j3x h LYS 68 N 0.00 0.00 0.00 0.28 3.64 -0.89 -3.10 116.57 116.50 1j3x h LYS 68 Ca -0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1j3x h LYS 68 Cb 1.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1j3x h LYS 68 CO 0.07 0.38 -2.28 0.00 -2.27 0.00 0.00 179.45 175.35 1j3x n ALA 69 N -2.41 1.79 0.04 5.00 0.00 -0.58 -4.32 120.51 120.04 1j3x n ALA 69 Ca -0.01 -1.14 0.04 0.00 0.00 0.00 0.00 53.44 52.32 1j3x n ALA 69 Cb 0.44 -0.32 0.45 0.00 0.00 0.00 0.00 19.45 20.01 1j3x n ALA 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1j3x h ARG 70 N 0.00 0.44 0.00 0.00 9.65 -0.73 -1.31 114.38 122.44 1j3x h ARG 70 Ca -0.42 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.41 1j3x h ARG 70 Cb 1.97 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 30.45 1j3x h ARG 70 CO 0.02 0.32 -0.06 -0.92 2.80 0.00 0.00 179.97 182.13 1j3x h TYR 71 N 0.45 0.00 0.00 2.20 3.20 -1.73 -1.52 116.97 119.57 1j3x h TYR 71 Ca 0.12 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.83 1j3x h TYR 71 Cb -0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1j3x h TYR 71 CO 0.00 0.06 -0.77 0.22 -1.64 0.00 0.00 178.16 176.04 1j3x h ASP 72 N 0.00 0.00 -0.73 -2.11 3.58 -1.47 -3.28 116.42 112.40 1j3x h ASP 72 Ca -0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 1j3x h ASP 72 Cb 0.13 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 40.88 1j3x h ASP 72 CO 0.01 0.77 -0.04 0.54 -2.88 0.00 0.00 179.24 177.63 1j3x n ARG 73 N -3.38 2.80 0.00 0.28 1.74 -0.63 -4.28 116.66 113.18 1j3x n ARG 73 Ca 0.00 -3.59 0.00 0.00 -0.77 0.00 0.00 57.85 53.49 1j3x n ARG 73 Cb 0.81 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.91 0.00 0.01 5.56 2.13 -0.83 -4.62 120.64 121.99 1j3x n GLU 74 Ca 0.48 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.24 1j3x n GLU 74 Cb 0.92 -0.55 -0.11 0.00 0.27 0.00 0.00 31.44 31.97 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 0.00 0.00 0.02 5.31 2.86 -1.81 -3.37 114.93 117.93 1j3x h MET 75 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1j3x h MET 75 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1j3x h MET 75 CO 0.00 0.53 -0.20 0.87 1.06 0.00 0.00 176.91 179.18 1j3x h LYS 76 N 0.00 0.03 -0.03 1.72 1.79 -1.83 -3.53 116.57 114.73 1j3x h LYS 76 Ca -0.19 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1j3x h LYS 76 Cb 1.84 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1j3x h LYS 76 CO 0.08 1.03 0.00 -1.71 -1.08 0.00 0.00 179.45 177.77