#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 3.41 3.48 -5.12 0.00 -1.26 -4.07 105.19 101.64 1j3x n GLY 2 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.19 1.32 -0.51 1.61 1.02 -1.24 -4.95 119.74 114.80 1j3x s LYS 3 Ca 0.00 -0.86 -0.28 0.00 0.02 0.00 0.00 55.97 54.85 1j3x s LYS 3 Cb 0.00 0.50 0.01 0.00 -0.52 0.00 0.00 37.83 37.82 1j3x s LYS 3 CO 0.00 -0.55 1.50 0.20 -0.92 0.00 0.00 175.35 175.57 1j3x s GLY 4 N -2.87 0.86 0.23 -3.33 0.00 -1.26 -4.63 107.32 96.32 1j3x s GLY 4 Ca 0.09 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.30 1j3x s GLY 4 CO -0.04 2.90 0.30 0.99 0.00 0.00 0.00 173.10 177.25 1j3x s ASP 5 N 4.84 0.11 0.06 1.64 1.11 -1.26 -5.06 116.67 118.11 1j3x s ASP 5 Ca 0.59 -1.20 -0.17 0.00 0.18 0.00 0.00 52.55 51.95 1j3x s ASP 5 Cb -0.13 0.49 -0.16 0.00 1.07 0.00 0.00 42.92 44.18 1j3x s ASP 5 CO 0.27 -1.00 1.27 1.55 1.18 0.00 0.00 175.17 178.44 1j3x h PRO 6 N 2.43 0.59 -2.69 8.23 0.13 -2.04 -3.38 132.00 135.26 1j3x h PRO 6 Ca -0.31 -0.46 -0.61 0.00 -0.87 0.00 0.00 66.00 63.76 1j3x h PRO 6 Cb 1.25 0.09 -0.41 0.00 0.13 0.00 0.00 31.00 32.06 1j3x h PRO 6 CO 0.44 1.08 -0.71 0.09 -0.23 0.00 0.00 178.00 178.67 1j3x n ASN 7 N -4.19 2.07 -3.61 1.44 3.02 -1.26 -5.06 115.26 107.67 1j3x n ASN 7 Ca -0.07 -3.00 -0.11 0.00 -0.03 0.00 0.00 54.58 51.36 1j3x n ASN 7 Cb 0.61 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1j3x n ASN 7 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1j3x s LYS 8 N -1.23 0.61 0.35 3.52 2.20 -1.26 -5.15 119.74 118.77 1j3x s LYS 8 Ca 0.30 0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 56.16 1j3x s LYS 8 Cb 0.02 0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 36.54 1j3x s LYS 8 CO -0.15 -0.11 1.11 -1.25 -0.36 0.00 0.00 175.35 174.59 1j3x s PRO 9 N -0.17 4.34 -0.35 4.03 0.04 -1.26 -4.72 135.00 136.90 1j3x s PRO 9 Ca 0.01 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.86 1j3x s PRO 9 Cb -0.04 -2.86 0.56 0.00 0.04 0.00 0.00 34.50 32.20 1j3x s PRO 9 CO -0.02 -0.05 1.63 -2.13 0.04 0.00 0.00 177.00 176.47 1j3x n ARG 10 N 0.51 2.01 0.00 4.56 0.00 -1.26 -3.59 116.66 118.89 1j3x n ARG 10 Ca 0.02 -3.16 0.00 0.00 -0.00 0.00 0.00 57.85 54.72 1j3x n ARG 10 Cb 0.46 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 30.97 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j3x n GLY 11 N -1.13 -2.58 0.16 5.14 0.00 -1.26 -4.76 105.19 100.77 1j3x n GLY 11 Ca 0.43 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1j3x n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j3x h LYS 12 N 0.00 0.52 -5.45 1.61 3.64 -1.93 -3.46 116.57 111.50 1j3x h LYS 12 Ca 0.00 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1j3x h LYS 12 Cb 0.00 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 1j3x h LYS 12 CO 0.00 1.28 -1.05 -0.12 -2.27 0.00 0.00 179.45 177.29 1j3x n MET 13 N -3.75 -3.18 -0.03 1.90 0.00 -1.26 -4.54 117.12 106.27 1j3x n MET 13 Ca -0.11 2.54 -0.03 0.00 -0.00 0.00 0.00 57.70 60.11 1j3x n MET 13 Cb 0.94 -3.70 0.02 0.00 0.00 0.00 0.00 33.22 30.49 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1j3x n SER 14 N 1.69 -2.00 0.06 6.12 2.88 -1.26 -4.25 113.62 116.86 1j3x n SER 14 Ca -0.20 -0.15 -0.06 0.00 -1.33 0.00 0.00 58.87 57.13 1j3x n SER 14 Cb 0.36 -0.08 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.97 0.00 0.29 -3.46 4.64 -1.92 -3.26 113.55 107.87 1j3x h SER 15 Ca -0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 1j3x h SER 15 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1j3x h SER 15 CO 0.02 0.93 -0.21 0.22 -0.87 0.00 0.00 176.83 176.92 1j3x h TYR 16 N 0.00 0.00 0.00 4.77 3.20 -1.91 -2.07 116.97 120.96 1j3x h TYR 16 Ca -0.04 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.67 1j3x h TYR 16 Cb 1.74 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.99 1j3x h TYR 16 CO 0.00 0.21 -0.75 0.00 -1.64 0.00 0.00 178.16 175.97 1j3x h ALA 17 N 1.79 0.65 0.00 1.82 0.00 -1.90 -3.20 119.26 118.42 1j3x h ALA 17 Ca -0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 1j3x h ALA 17 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1j3x h ALA 17 CO 0.03 0.94 -0.86 0.74 0.00 0.00 0.00 179.25 180.10 1j3x h PHE 18 N 0.00 0.00 -0.15 0.00 0.04 -1.49 -2.95 116.94 112.40 1j3x h PHE 18 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1j3x h PHE 18 Cb 1.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.57 1j3x h PHE 18 CO 0.00 0.86 0.00 0.35 -0.60 0.00 0.00 178.31 178.92 1j3x h PHE 19 N 0.00 0.28 0.00 -0.55 3.57 -1.40 0.12 116.94 118.96 1j3x h PHE 19 Ca -0.01 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1j3x h PHE 19 Cb 1.65 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1j3x h PHE 19 CO 0.00 0.48 -0.42 0.28 -2.23 0.00 0.00 178.31 176.41 1j3x h VAL 20 N 0.00 1.15 0.03 1.41 2.07 -1.65 0.06 116.25 119.32 1j3x h VAL 20 Ca 0.04 -1.52 -0.13 0.00 0.82 0.00 0.00 66.70 65.91 1j3x h VAL 20 Cb 0.36 1.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1j3x h VAL 20 CO 0.01 0.41 -0.53 -0.61 0.02 0.00 0.00 177.57 176.87 1j3x h GLN 21 N 0.00 0.30 0.00 1.57 -0.00 -1.33 -2.11 115.11 113.55 1j3x h GLN 21 Ca -0.00 -0.37 -0.12 0.00 -0.00 0.00 0.00 58.65 58.16 1j3x h GLN 21 Cb 0.82 0.11 -0.02 0.00 0.00 0.00 0.00 27.48 28.40 1j3x h GLN 21 CO 0.05 1.08 -0.57 1.15 0.00 0.00 0.00 178.83 180.55 1j3x h THR 22 N -0.32 1.21 0.00 2.39 2.02 -0.74 -3.04 112.91 114.42 1j3x h THR 22 Ca -0.08 -2.11 -0.13 0.00 0.77 0.00 0.00 66.41 64.87 1j3x h THR 22 Cb 1.30 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1j3x h THR 22 CO 0.10 0.56 -0.62 0.28 0.37 0.00 0.00 175.52 176.21 1j3x h SER 23 N 0.00 0.00 -0.10 4.18 0.02 -1.05 -3.22 113.55 113.38 1j3x h SER 23 Ca -0.01 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 1j3x h SER 23 Cb 1.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1j3x h SER 23 CO 0.07 0.60 -0.85 -0.09 -1.14 0.00 0.00 176.83 175.43 1j3x h ARG 24 N 0.00 0.76 0.28 3.45 1.12 -1.30 -2.30 114.38 116.39 1j3x h ARG 24 Ca -0.01 -0.67 -0.01 0.00 -1.11 0.00 0.00 59.98 58.18 1j3x h ARG 24 Cb 1.47 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.58 1j3x h ARG 24 CO 0.08 1.27 -0.14 0.93 -3.11 0.00 0.00 179.97 179.00 1j3x h GLU 25 N 0.50 -0.36 -0.14 0.20 5.08 -1.61 -2.25 114.58 116.00 1j3x h GLU 25 Ca -0.07 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1j3x h GLU 25 Cb 1.48 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1j3x h GLU 25 CO 0.17 -0.18 -0.00 1.49 -1.00 0.00 0.00 179.01 179.49 1j3x h GLU 26 N -0.47 0.19 -0.21 2.33 4.81 -1.64 -1.75 114.58 117.85 1j3x h GLU 26 Ca -0.04 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1j3x h GLU 26 Cb 0.35 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1j3x h GLU 26 CO 0.06 0.22 -0.11 1.25 -0.73 0.00 0.00 179.01 179.71 1j3x h HIS 27 N 0.19 0.35 0.79 0.92 2.76 -0.99 -2.19 115.15 116.99 1j3x h HIS 27 Ca 0.05 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1j3x h HIS 27 Cb 0.14 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.01 1j3x h HIS 27 CO 0.00 0.44 -0.38 -0.22 -1.30 0.00 0.00 177.93 176.47 1j3x h LYS 28 N 0.32 -1.02 0.00 5.26 3.64 -0.74 0.83 116.57 124.85 1j3x h LYS 28 Ca 0.06 0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1j3x h LYS 28 Cb 0.39 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1j3x h LYS 28 CO 0.02 -0.68 -0.02 0.87 -2.27 0.00 0.00 179.45 177.37 1j3x h LYS 29 N -1.19 0.00 0.00 1.90 1.57 -1.57 -1.55 116.57 115.73 1j3x h LYS 29 Ca -0.11 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1j3x h LYS 29 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1j3x h LYS 29 CO 0.18 0.02 -1.39 1.17 -0.57 0.00 0.00 179.45 178.85 1j3x n LYS 30 N -3.38 0.62 -3.62 3.15 4.81 -0.83 -4.64 118.16 114.28 1j3x n LYS 30 Ca -0.03 0.08 -0.28 0.00 -0.87 0.00 0.00 58.31 57.21 1j3x n LYS 30 Cb 0.11 -1.74 -0.12 0.00 0.02 0.00 0.00 35.03 33.30 1j3x n LYS 30 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1j3x s HIS 31 N -3.23 1.90 0.05 5.64 3.76 0.29 -4.96 115.29 118.73 1j3x s HIS 31 Ca -0.03 -2.51 -0.17 0.00 -0.15 0.00 0.00 55.06 52.19 1j3x s HIS 31 Cb 0.10 -1.63 -0.17 0.00 1.11 0.00 0.00 32.58 31.99 1j3x s HIS 31 CO 0.82 -0.75 1.25 -1.00 -0.85 0.00 0.00 174.74 174.21 1j3x h PRO 32 N 6.08 0.55 -2.38 8.40 0.13 -1.80 -3.33 132.00 139.65 1j3x h PRO 32 Ca 0.13 -0.43 -0.81 0.00 -0.87 0.00 0.00 66.00 64.02 1j3x h PRO 32 Cb 0.89 0.09 -0.27 0.00 0.13 0.00 0.00 31.00 31.83 1j3x h PRO 32 CO 0.47 1.06 0.96 -3.47 -0.23 0.00 0.00 178.00 176.79 1j3x n ASP 33 N -4.22 7.13 -3.64 1.44 2.03 -1.26 -4.93 116.55 113.11 1j3x n ASP 33 Ca -0.08 -3.63 -0.11 0.00 0.52 0.00 0.00 54.79 51.49 1j3x n ASP 33 Cb 0.60 -1.18 -0.07 0.00 -0.72 0.00 0.00 41.12 39.75 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 -1.47 -0.58 0.74 1.67 0.15 -1.25 -5.17 113.70 107.78 1j3x s SER 34 Ca 0.38 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 58.09 1j3x s SER 34 Cb 0.16 1.13 0.11 0.00 -1.71 0.00 0.00 66.02 65.72 1j3x s SER 34 CO -0.08 -0.19 1.03 -0.94 1.20 0.00 0.00 173.24 174.26 1j3x s SER 35 N 0.37 4.36 -0.41 5.45 1.04 -1.26 -4.99 113.70 118.26 1j3x s SER 35 Ca 0.01 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1j3x s SER 35 Cb -0.05 -0.43 0.26 0.00 0.10 0.00 0.00 66.02 65.91 1j3x s SER 35 CO -0.04 -1.86 1.07 0.55 0.98 0.00 0.00 173.24 173.94 1j3x n VAL 36 N -2.95 0.00 -0.08 5.02 3.14 -1.26 -5.08 118.33 117.12 1j3x n VAL 36 Ca 0.13 -1.12 -0.10 0.00 -2.96 0.00 0.00 64.34 60.29 1j3x n VAL 36 Cb 0.60 1.31 0.09 0.00 -1.06 0.00 0.00 33.84 34.78 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 1.43 -2.62 0.05 6.55 3.02 -1.26 -4.75 115.26 117.67 1j3x n ASN 37 Ca 0.05 -0.27 -0.20 0.00 -0.03 0.00 0.00 54.58 54.12 1j3x n ASN 37 Cb 0.67 -0.32 -0.12 0.00 -0.61 0.00 0.00 39.78 39.41 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 -2.49 0.91 -0.19 3.10 0.04 -2.01 -3.08 116.94 113.22 1j3x h PHE 38 Ca -0.12 -0.53 -0.11 0.00 2.80 0.00 0.00 57.97 60.01 1j3x h PHE 38 Cb 0.42 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1j3x h PHE 38 CO 0.00 1.37 -0.29 0.00 -0.60 0.00 0.00 178.31 178.78 1j3x h ALA 39 N 0.33 0.29 0.00 2.45 0.00 -1.96 1.46 119.26 121.83 1j3x h ALA 39 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1j3x h ALA 39 Cb 1.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1j3x h ALA 39 CO 0.19 0.31 0.00 0.93 0.00 0.00 0.00 179.25 180.68 1j3x h GLU 40 N 0.20 0.00 0.00 0.00 5.08 -1.92 -2.68 114.58 115.26 1j3x h GLU 40 Ca 0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1j3x h GLU 40 Cb 0.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1j3x h GLU 40 CO 0.07 0.00 -1.62 0.34 -1.00 0.00 0.00 179.01 176.80 1j3x n PHE 41 N -2.56 0.00 0.30 4.33 7.35 -1.05 -4.30 117.46 121.52 1j3x n PHE 41 Ca -0.01 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.87 1j3x n PHE 41 Cb 0.10 -0.41 0.98 0.00 0.35 0.00 0.00 39.48 40.50 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 0.84 -2.13 4.64 0.20 0.65 113.55 117.62 1j3x h SER 42 Ca -0.25 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.88 1j3x h SER 42 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1j3x h SER 42 CO -0.08 0.00 -1.26 0.11 -0.87 0.00 0.00 176.83 174.73 1j3x h LYS 43 N 0.00 0.00 0.18 4.77 1.57 -1.66 -3.34 116.57 118.09 1j3x h LYS 43 Ca 0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 1j3x h LYS 43 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1j3x h LYS 43 CO -0.00 0.47 -1.70 -0.22 -0.57 0.00 0.00 179.45 177.43 1j3x h LYS 44 N 0.00 0.39 -0.24 3.15 3.11 -1.13 -3.33 116.57 118.52 1j3x h LYS 44 Ca -0.14 -0.66 0.04 0.00 -2.81 0.00 0.00 60.65 57.08 1j3x h LYS 44 Cb 1.67 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 33.14 1j3x h LYS 44 CO 0.07 1.30 0.17 0.00 -2.81 0.00 0.00 179.45 178.17 1j3x h SER 46 N 0.14 0.19 0.31 0.00 4.64 -1.68 0.80 113.55 117.95 1j3x h SER 46 Ca 0.11 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1j3x h SER 46 Cb 0.25 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1j3x h SER 46 CO -0.02 0.47 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.81 1j3x h GLU 47 N 0.17 0.00 0.00 4.77 5.08 -1.27 -2.14 114.58 121.20 1j3x h GLU 47 Ca 0.03 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.02 1j3x h GLU 47 Cb 0.59 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1j3x h GLU 47 CO 0.04 0.28 -2.37 -2.13 -1.00 0.00 0.00 179.01 173.84 1j3x n ARG 48 N -4.14 0.76 0.07 2.33 0.63 -0.92 -3.97 116.66 111.41 1j3x n ARG 48 Ca -0.02 0.04 0.01 0.00 -0.92 0.00 0.00 57.85 56.96 1j3x n ARG 48 Cb 0.33 -1.50 0.34 0.00 0.45 0.00 0.00 32.46 32.08 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 0.00 0.38 0.00 -0.14 2.91 0.65 0.07 115.95 119.82 1j3x h TRP 49 Ca -0.54 -0.04 -0.16 0.00 1.13 0.00 0.00 58.89 59.28 1j3x h TRP 49 Cb 2.11 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 30.62 1j3x h TRP 49 CO 0.01 0.46 -0.75 0.87 -1.03 0.00 0.00 178.44 178.00 1j3x h LYS 50 N 0.35 0.00 0.00 2.65 1.79 -1.58 -3.25 116.57 116.52 1j3x h LYS 50 Ca 0.07 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.32 1j3x h LYS 50 Cb 0.38 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1j3x h LYS 50 CO 0.02 0.75 -1.15 1.79 -1.08 0.00 0.00 179.45 179.77 1j3x h THR 51 N 0.00 1.48 -4.27 -0.16 1.35 -1.56 -3.46 112.91 106.28 1j3x h THR 51 Ca -0.01 -3.21 -0.52 0.00 -0.55 0.00 0.00 66.41 62.12 1j3x h THR 51 Cb 1.49 2.73 0.19 0.00 -1.73 0.00 0.00 68.15 70.82 1j3x h THR 51 CO 0.10 0.84 0.25 -0.04 -0.25 0.00 0.00 175.52 176.42 1j3x s MET 52 N -2.69 1.27 0.00 4.72 -1.94 -0.03 -5.05 119.30 115.57 1j3x s MET 52 Ca -0.00 1.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.50 1j3x s MET 52 Cb 0.09 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 35.18 1j3x s MET 52 CO 0.82 -2.44 0.00 -1.13 -0.01 0.00 0.00 175.02 172.25 1j3x n SER 53 N -4.01 1.77 0.28 3.03 3.41 -1.26 -4.92 113.62 111.91 1j3x n SER 53 Ca 0.12 -0.48 0.17 0.00 -0.26 0.00 0.00 58.87 58.42 1j3x n SER 53 Cb 0.52 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.18 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3x h ALA 54 N 0.85 1.01 -0.00 7.33 0.00 -1.96 0.19 119.26 126.68 1j3x h ALA 54 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1j3x h ALA 54 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1j3x h ALA 54 CO 0.00 0.03 -0.49 0.87 0.00 0.00 0.00 179.25 179.65 1j3x h LYS 55 N 0.00 0.00 0.00 0.00 1.57 -2.00 -1.84 116.57 114.30 1j3x h LYS 55 Ca -0.00 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1j3x h LYS 55 Cb 0.48 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 1j3x h LYS 55 CO 0.00 0.50 -2.41 0.39 -0.57 0.00 0.00 179.45 177.36 1j3x n GLU 56 N -3.95 0.63 0.27 3.15 1.02 -1.04 -4.33 120.64 116.39 1j3x n GLU 56 Ca -0.02 0.14 0.18 0.00 -0.02 0.00 0.00 57.16 57.44 1j3x n GLU 56 Cb 0.51 -1.50 0.77 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 -0.33 3.49 1.57 -1.04 -2.89 116.57 117.36 1j3x h LYS 57 Ca -0.55 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.27 1j3x h LYS 57 Cb 1.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 1j3x h LYS 57 CO -0.08 0.00 0.22 0.66 -0.57 0.00 0.00 179.45 179.68 1j3x h SER 58 N 0.00 0.23 0.47 0.86 4.64 -1.52 0.73 113.55 118.96 1j3x h SER 58 Ca 0.00 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1j3x h SER 58 Cb 0.38 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1j3x h SER 58 CO 0.00 0.15 -0.64 0.50 -0.87 0.00 0.00 176.83 175.97 1j3x h LYS 59 N 0.26 0.16 0.00 4.77 3.64 -1.78 -2.30 116.57 121.32 1j3x h LYS 59 Ca 0.14 -0.12 -0.26 0.00 -1.27 0.00 0.00 60.65 59.15 1j3x h LYS 59 Cb 0.24 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1j3x h LYS 59 CO -0.03 0.75 -1.67 1.19 -2.27 0.00 0.00 179.45 177.42 1j3x n PHE 60 N -3.82 0.93 0.13 1.91 3.72 -0.43 -3.71 117.46 116.19 1j3x n PHE 60 Ca -0.02 0.33 -0.01 0.00 -0.05 0.00 0.00 57.45 57.70 1j3x n PHE 60 Cb 0.64 -1.14 0.14 0.00 -0.94 0.00 0.00 39.48 38.18 1j3x n PHE 60 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1j3x h GLU 61 N 0.00 0.00 0.00 -1.08 4.81 0.41 -3.08 114.58 115.63 1j3x h GLU 61 Ca -0.26 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.81 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 0.64 -0.74 0.22 -0.73 0.00 0.00 179.01 178.47 1j3x h ASP 62 N 0.00 0.00 0.02 1.04 1.82 -1.55 -2.69 116.42 115.06 1j3x h ASP 62 Ca -0.01 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.51 1j3x h ASP 62 Cb 1.19 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 1j3x h ASP 62 CO 0.08 0.74 -0.40 0.24 -1.61 0.00 0.00 179.24 178.29 1j3x h MET 63 N 0.00 0.49 0.07 0.28 2.86 -1.62 -2.33 114.93 114.68 1j3x h MET 63 Ca -0.01 -0.24 -0.25 0.00 -2.06 0.00 0.00 59.70 57.14 1j3x h MET 63 Cb 1.38 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.05 1j3x h MET 63 CO 0.10 0.81 -1.10 0.00 1.06 0.00 0.00 176.91 177.77 1j3x h ALA 64 N 1.17 0.21 0.00 6.32 0.00 -1.53 -3.22 119.26 122.21 1j3x h ALA 64 Ca 0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 1j3x h ALA 64 Cb 0.88 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1j3x h ALA 64 CO 0.07 0.86 -0.34 -0.22 0.00 0.00 0.00 179.25 179.62 1j3x h LYS 65 N 0.17 0.00 -0.28 0.00 1.63 -1.40 -1.58 116.57 115.12 1j3x h LYS 65 Ca -0.12 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1j3x h LYS 65 Cb 1.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.39 1j3x h LYS 65 CO 0.19 0.34 0.17 1.03 -3.45 0.00 0.00 179.45 177.72 1j3x h SER 66 N 0.00 0.34 0.84 4.20 0.87 -1.42 -1.76 113.55 116.61 1j3x h SER 66 Ca -0.00 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.30 1j3x h SER 66 Cb 0.65 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1j3x h SER 66 CO 0.04 0.30 -0.92 0.44 -0.53 0.00 0.00 176.83 176.16 1j3x h ASP 67 N 0.35 0.06 0.20 6.23 5.19 -1.62 -2.99 116.42 123.84 1j3x h ASP 67 Ca 0.10 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1j3x h ASP 67 Cb 0.02 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1j3x h ASP 67 CO -0.02 0.95 -0.17 0.50 -3.12 0.00 0.00 179.24 177.38 1j3x h LYS 68 N 0.02 0.00 0.00 3.56 3.64 -1.02 -2.33 116.57 120.44 1j3x h LYS 68 Ca -0.02 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 1j3x h LYS 68 Cb 1.61 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.40 1j3x h LYS 68 CO 0.13 0.17 -1.27 0.00 -2.27 0.00 0.00 179.45 176.21 1j3x h ALA 69 N 1.83 0.60 -0.60 5.00 0.00 -1.31 -3.31 119.26 121.47 1j3x h ALA 69 Ca -0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 54.91 53.68 1j3x h ALA 69 Cb 0.32 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 1j3x h ALA 69 CO 0.02 1.24 0.22 -2.13 0.00 0.00 0.00 179.25 178.61 1j3x n ARG 70 N -3.14 3.19 -0.05 0.00 0.63 -0.93 -4.12 116.66 112.24 1j3x n ARG 70 Ca -0.08 -2.44 -0.04 0.00 -0.92 0.00 0.00 57.85 54.37 1j3x n ARG 70 Cb 0.94 -2.03 -0.08 0.00 0.45 0.00 0.00 32.46 31.74 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 -0.06 0.00 0.05 -0.14 4.19 -0.92 -3.96 117.16 116.31 1j3x n TYR 71 Ca 0.33 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.46 1j3x n TYR 71 Cb 1.19 -0.48 -0.13 0.00 0.49 0.00 0.00 39.34 40.41 1j3x n TYR 71 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1j3x h ASP 72 N 0.00 0.04 0.45 2.98 1.82 -1.75 -3.11 116.42 116.85 1j3x h ASP 72 Ca -0.25 -0.04 -0.31 0.00 -0.39 0.00 0.00 57.03 56.04 1j3x h ASP 72 Cb 1.55 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 1j3x h ASP 72 CO 0.01 1.03 -1.55 0.03 -1.61 0.00 0.00 179.24 177.16 1j3x h ARG 73 N 0.01 0.23 -0.02 0.28 3.08 -1.81 -3.13 114.38 113.02 1j3x h ARG 73 Ca -0.07 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 1j3x h ARG 73 Cb 1.83 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 1j3x h ARG 73 CO 0.13 1.09 -0.37 1.49 -1.07 0.00 0.00 179.97 181.24 1j3x h GLU 74 N 0.06 0.03 0.00 0.04 4.57 -1.69 -2.78 114.58 114.82 1j3x h GLU 74 Ca -0.25 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.74 1j3x h GLU 74 Cb 2.01 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.57 1j3x h GLU 74 CO 0.15 0.40 -0.85 0.52 -1.18 0.00 0.00 179.01 178.05 1j3x h MET 75 N 0.03 0.00 -6.31 1.92 2.86 -1.64 -3.44 114.93 108.35 1j3x h MET 75 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1j3x h MET 75 Cb 0.66 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1j3x h MET 75 CO 0.05 0.85 0.50 0.15 1.06 0.00 0.00 176.91 179.52 1j3x s LYS 76 N -2.81 4.47 0.00 1.72 -0.14 -1.05 -5.12 119.74 116.81 1j3x s LYS 76 Ca 0.02 1.40 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 1j3x s LYS 76 Cb 0.09 -3.51 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 1j3x s LYS 76 CO 0.80 -0.22 0.49 0.27 -0.76 0.00 0.00 175.35 175.92