#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 -0.74 3.13 3.03 0.00 -1.26 -5.10 105.19 104.24 1j3x n GLY 2 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.07 0.68 -0.66 1.61 1.02 -1.26 -4.15 119.74 115.90 1j3x s LYS 3 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.01 1j3x s LYS 3 Cb 0.00 0.07 0.39 0.00 -0.52 0.00 0.00 37.83 37.77 1j3x s LYS 3 CO 0.00 -1.12 2.07 0.41 -0.92 0.00 0.00 175.35 175.78 1j3x n GLY 4 N 4.87 5.55 3.71 -3.33 0.00 -1.26 -4.93 105.19 109.80 1j3x n GLY 4 Ca 0.08 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 1j3x n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j3x s ASP 5 N -1.37 -0.23 0.03 1.61 1.01 -1.26 -5.03 116.67 111.43 1j3x s ASP 5 Ca 0.58 -0.65 -0.18 0.00 0.71 0.00 0.00 52.55 53.01 1j3x s ASP 5 Cb 0.46 0.66 -0.20 0.00 1.01 0.00 0.00 42.92 44.85 1j3x s ASP 5 CO -0.10 -1.23 1.18 1.55 0.21 0.00 0.00 175.17 176.78 1j3x h PRO 6 N 2.10 0.49 -0.36 8.23 0.13 -2.00 -3.40 132.00 137.20 1j3x h PRO 6 Ca -0.23 -0.45 -0.24 0.00 -0.87 0.00 0.00 66.00 64.21 1j3x h PRO 6 Cb 1.25 0.11 -0.31 0.00 0.13 0.00 0.00 31.00 32.18 1j3x h PRO 6 CO 0.29 1.09 -0.84 0.09 -0.23 0.00 0.00 178.00 178.40 1j3x n ASN 7 N -4.21 0.44 -4.08 1.44 3.02 -1.26 -5.11 115.26 105.49 1j3x n ASN 7 Ca -0.09 -2.21 -0.08 0.00 -0.03 0.00 0.00 54.58 52.17 1j3x n ASN 7 Cb 0.64 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.31 0.60 0.79 3.52 1.02 -1.26 -5.15 119.74 116.95 1j3x s LYS 8 Ca 0.22 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 1j3x s LYS 8 Cb 0.38 0.10 0.07 0.00 -0.52 0.00 0.00 37.83 37.86 1j3x s LYS 8 CO -0.06 -0.08 1.09 -1.25 -0.92 0.00 0.00 175.35 174.13 1j3x s PRO 9 N -3.41 2.11 -0.31 -1.68 0.04 -1.26 -4.46 135.00 126.03 1j3x s PRO 9 Ca 0.03 0.87 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 1j3x s PRO 9 Cb 0.04 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1j3x s PRO 9 CO -0.07 -1.66 0.15 0.50 0.04 0.00 0.00 177.00 175.96 1j3x s ARG 10 N -5.02 3.33 0.00 4.56 3.00 -1.26 -4.75 118.95 118.81 1j3x s ARG 10 Ca 0.61 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 54.62 1j3x s ARG 10 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 34.95 31.23 1j3x s ARG 10 CO 0.55 -0.42 0.00 0.41 0.00 0.00 0.00 175.30 175.85 1j3x n GLY 11 N 4.98 0.00 2.95 8.12 0.00 -1.26 -4.70 105.19 115.28 1j3x n GLY 11 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 0.89 -1.75 1.61 5.02 -1.26 -4.97 118.16 117.70 1j3x n LYS 12 Ca 0.00 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.28 1j3x n LYS 12 Cb 0.00 1.02 0.00 0.00 -0.02 0.00 0.00 35.03 36.03 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 -0.97 1.24 -3.62 1.97 2.81 -1.26 -5.02 117.12 112.27 1j3x n MET 13 Ca -0.14 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.65 1j3x n MET 13 Cb 0.53 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.05 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x n SER 14 N -1.66 -1.85 0.11 7.83 2.88 -1.26 -4.76 113.62 114.90 1j3x n SER 14 Ca 0.00 -2.55 -0.02 0.00 -1.33 0.00 0.00 58.87 54.97 1j3x n SER 14 Cb 0.00 3.16 0.05 0.00 -0.75 0.00 0.00 64.21 66.67 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 1.82 0.00 0.96 -3.46 4.64 -1.91 -2.80 113.55 112.79 1j3x h SER 15 Ca -0.29 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.87 1j3x h SER 15 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1j3x h SER 15 CO 0.38 0.73 -0.75 0.22 -0.87 0.00 0.00 176.83 176.53 1j3x h TYR 16 N 0.00 0.00 0.01 4.77 5.03 -1.96 -2.98 116.97 121.84 1j3x h TYR 16 Ca -0.01 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.09 1j3x h TYR 16 Cb 1.40 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.65 1j3x h TYR 16 CO 0.00 0.75 -0.99 0.00 -1.32 0.00 0.00 178.16 176.60 1j3x h ALA 17 N 1.25 0.37 0.00 1.82 0.00 -1.95 -3.24 119.26 117.51 1j3x h ALA 17 Ca -0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 54.91 53.88 1j3x h ALA 17 Cb 1.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1j3x h ALA 17 CO 0.10 1.18 -0.66 0.74 0.00 0.00 0.00 179.25 180.61 1j3x h PHE 18 N 0.01 0.00 0.48 0.00 -1.00 -1.50 -2.91 116.94 112.01 1j3x h PHE 18 Ca -0.02 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 1j3x h PHE 18 Cb 1.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.30 1j3x h PHE 18 CO 0.01 0.66 -0.23 0.35 -1.61 0.00 0.00 178.31 177.49 1j3x h PHE 19 N 0.00 -0.60 0.00 -0.55 3.57 -1.55 -0.98 116.94 116.84 1j3x h PHE 19 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1j3x h PHE 19 Cb 1.20 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1j3x h PHE 19 CO 0.00 -0.32 -0.08 0.28 -2.23 0.00 0.00 178.31 175.95 1j3x h VAL 20 N -0.74 1.03 0.06 1.41 2.07 -1.64 0.93 116.25 119.37 1j3x h VAL 20 Ca -0.07 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1j3x h VAL 20 Cb 0.54 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1j3x h VAL 20 CO 0.11 0.08 -0.03 -0.61 0.02 0.00 0.00 177.57 177.14 1j3x h GLN 21 N 0.00 -0.08 -0.13 1.57 -0.00 -1.25 0.53 115.11 115.76 1j3x h GLN 21 Ca -0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 1j3x h GLN 21 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 1j3x h GLN 21 CO 0.01 0.25 -0.46 1.15 0.00 0.00 0.00 178.83 179.79 1j3x h THR 22 N -0.41 1.33 0.00 2.39 2.02 -0.84 -2.76 112.91 114.64 1j3x h THR 22 Ca -0.01 -1.64 -0.16 0.00 0.77 0.00 0.00 66.41 65.37 1j3x h THR 22 Cb 0.36 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1j3x h THR 22 CO 0.01 0.50 -0.74 0.28 0.37 0.00 0.00 175.52 175.94 1j3x h SER 23 N 0.25 0.00 -0.20 4.18 0.02 -0.74 -3.04 113.55 114.03 1j3x h SER 23 Ca 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1j3x h SER 23 Cb 0.91 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1j3x h SER 23 CO 0.07 0.74 -0.03 0.03 -1.14 0.00 0.00 176.83 176.51 1j3x h ARG 24 N 0.00 0.37 -0.19 3.45 2.47 0.32 -2.69 114.38 118.10 1j3x h ARG 24 Ca -0.01 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1j3x h ARG 24 Cb 1.35 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 1j3x h ARG 24 CO 0.10 0.60 0.08 0.93 0.56 0.00 0.00 179.97 182.23 1j3x h GLU 25 N 0.10 0.26 0.00 0.04 5.08 -1.53 0.74 114.58 119.28 1j3x h GLU 25 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1j3x h GLU 25 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1j3x h GLU 25 CO 0.02 0.22 0.00 -1.91 -1.00 0.00 0.00 179.01 176.34 1j3x n GLU 26 N -4.45 0.16 -0.83 2.33 0.00 -1.04 -2.65 120.64 114.15 1j3x n GLU 26 Ca -0.00 0.34 -0.09 0.00 0.00 0.00 0.00 57.16 57.40 1j3x n GLU 26 Cb 0.12 -1.77 0.20 0.00 0.00 0.00 0.00 31.44 29.99 1j3x n GLU 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1j3x n HIS 27 N -2.06 2.03 -1.42 4.31 -0.00 0.25 -4.22 115.22 114.11 1j3x n HIS 27 Ca 0.03 -1.15 -0.04 0.00 0.46 0.00 0.00 57.72 57.02 1j3x n HIS 27 Cb 0.25 -0.64 0.20 0.00 -0.12 0.00 0.00 29.99 29.69 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 -0.28 1.91 0.00 1.57 4.76 -1.09 -4.55 118.16 120.49 1j3x n LYS 28 Ca 0.36 -3.16 0.00 0.00 -2.87 0.00 0.00 58.31 52.64 1j3x n LYS 28 Cb 1.23 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j3x n LYS 29 N -1.09 0.00 -1.59 1.97 5.02 -1.26 -4.86 118.16 116.35 1j3x n LYS 29 Ca 0.34 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.32 1j3x n LYS 29 Cb 1.05 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.03 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 -0.78 2.48 -2.82 1.97 2.85 -1.26 -4.46 118.16 116.14 1j3x n LYS 30 Ca 0.00 -2.65 -0.12 0.00 -1.05 0.00 0.00 58.31 54.50 1j3x n LYS 30 Cb 0.00 -2.16 0.02 0.00 -0.65 0.00 0.00 35.03 32.24 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 0.46 0.47 -0.03 5.58 8.25 -1.26 -4.94 115.22 123.74 1j3x n HIS 31 Ca 0.50 -3.01 -0.14 0.00 -0.26 0.00 0.00 57.72 54.81 1j3x n HIS 31 Cb 0.47 -0.18 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 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 2.93 0.08 -1.09 -0.41 0.13 -1.91 -3.26 132.00 128.47 1j3x h PRO 32 Ca -0.05 -0.06 -0.53 0.00 -0.87 0.00 0.00 66.00 64.48 1j3x h PRO 32 Cb 1.12 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 32.01 1j3x h PRO 32 CO 0.45 0.72 0.68 -0.25 -0.23 0.00 0.00 178.00 179.37 1j3x n ASP 33 N -4.69 5.98 -3.40 1.44 8.00 -1.26 -4.70 116.55 117.92 1j3x n ASP 33 Ca -0.09 -3.51 -0.26 0.00 0.71 0.00 0.00 54.79 51.64 1j3x n ASP 33 Cb 0.37 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.44 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 -1.17 1.99 1.01 -2.24 0.01 -1.23 -5.14 113.70 106.94 1j3x s SER 34 Ca 0.53 -2.40 -0.14 0.00 1.31 0.00 0.00 55.95 55.25 1j3x s SER 34 Cb 0.43 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.67 1j3x s SER 34 CO 0.03 -0.24 1.12 -0.44 0.41 0.00 0.00 173.24 174.12 1j3x s SER 35 N 0.75 2.55 -0.24 2.44 0.01 -1.26 -4.93 113.70 113.02 1j3x s SER 35 Ca 0.24 0.95 -0.03 0.00 1.31 0.00 0.00 55.95 58.42 1j3x s SER 35 Cb -0.12 -1.48 0.11 0.00 0.21 0.00 0.00 66.02 64.75 1j3x s SER 35 CO -0.07 -3.15 0.26 0.68 0.41 0.00 0.00 173.24 171.37 1j3x s VAL 36 N -3.12 -0.37 -0.52 3.43 -7.23 -1.26 -4.93 120.40 106.40 1j3x s VAL 36 Ca 0.66 -0.28 -0.04 0.00 -1.81 0.00 0.00 61.98 60.51 1j3x s VAL 36 Cb -0.15 -0.82 0.11 0.00 0.56 0.00 0.00 36.38 36.07 1j3x s VAL 36 CO 0.56 -0.32 2.66 0.59 -0.31 0.00 0.00 175.10 178.27 1j3x n ASN 37 N 5.32 6.64 0.00 4.85 3.02 -1.26 -4.87 115.26 128.96 1j3x n ASN 37 Ca -0.04 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 1j3x n ASN 37 Cb 0.48 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1j3x n PHE 38 N 0.67 0.00 -0.12 3.10 3.72 -1.26 -4.25 117.46 119.32 1j3x n PHE 38 Ca 0.50 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.79 1j3x n PHE 38 Cb 0.50 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.00 0.47 0.00 4.37 0.00 -1.96 1.69 119.26 123.82 1j3x h ALA 39 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j3x h ALA 39 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1j3x h ALA 39 CO 0.00 0.20 0.00 0.93 0.00 0.00 0.00 179.25 180.39 1j3x h GLU 40 N 0.42 0.00 0.00 0.00 5.08 -1.91 -2.36 114.58 115.81 1j3x h GLU 40 Ca 0.10 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 1j3x h GLU 40 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1j3x h GLU 40 CO 0.01 0.00 -1.61 0.34 -1.00 0.00 0.00 179.01 176.75 1j3x n PHE 41 N -2.76 0.00 0.14 4.33 7.35 -0.87 -4.57 117.46 121.07 1j3x n PHE 41 Ca -0.02 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.06 -0.40 0.78 0.00 0.35 0.00 0.00 39.48 40.27 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 -0.29 0.00 0.46 -2.13 4.64 0.25 0.29 113.55 116.77 1j3x h SER 42 Ca -0.27 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 1j3x h SER 42 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1j3x h SER 42 CO -0.14 0.00 -0.44 0.11 -0.87 0.00 0.00 176.83 175.49 1j3x h LYS 43 N 0.00 0.00 0.07 4.77 1.57 -1.60 -1.76 116.57 119.62 1j3x h LYS 43 Ca 0.15 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.63 1j3x h LYS 43 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1j3x h LYS 43 CO -0.00 0.44 -1.63 -0.22 -0.57 0.00 0.00 179.45 177.48 1j3x h LYS 44 N 0.00 0.15 0.00 3.15 3.11 -0.73 -3.34 116.57 118.91 1j3x h LYS 44 Ca -0.00 -0.26 -0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1j3x h LYS 44 Cb 0.79 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1j3x h LYS 44 CO 0.06 1.12 -0.07 0.00 -2.81 0.00 0.00 179.45 177.75 1j3x h SER 46 N 0.00 0.42 -0.07 0.00 4.64 -1.46 0.62 113.55 117.70 1j3x h SER 46 Ca -0.00 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 1j3x h SER 46 Cb 0.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1j3x h SER 46 CO 0.01 0.64 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.07 1j3x h GLU 47 N 0.38 0.47 0.10 4.77 4.39 -1.40 -1.27 114.58 122.02 1j3x h GLU 47 Ca 0.06 -0.16 -0.34 0.00 0.34 0.00 0.00 59.36 59.26 1j3x h GLU 47 Cb 0.58 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1j3x h GLU 47 CO 0.04 0.66 -1.84 -0.09 -1.16 0.00 0.00 179.01 176.61 1j3x h ARG 48 N 0.42 0.21 -0.22 2.33 2.43 -1.39 -3.22 114.38 114.93 1j3x h ARG 48 Ca 0.07 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1j3x h ARG 48 Cb 0.61 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1j3x h ARG 48 CO 0.04 1.03 0.09 2.35 -1.51 0.00 0.00 179.97 181.98 1j3x h TRP 49 N 0.06 0.33 0.00 2.20 2.91 0.27 0.86 115.95 122.58 1j3x h TRP 49 Ca -0.36 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.59 1j3x h TRP 49 Cb 2.03 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 30.58 1j3x h TRP 49 CO 0.06 0.36 -0.24 0.87 -1.03 0.00 0.00 178.44 178.46 1j3x h LYS 50 N 0.21 0.00 -0.00 2.65 1.57 -1.40 -2.47 116.57 117.13 1j3x h LYS 50 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1j3x h LYS 50 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1j3x h LYS 50 CO -0.01 0.24 -0.70 0.25 -0.57 0.00 0.00 179.45 178.66 1j3x n THR 51 N -4.01 0.00 -0.62 -0.16 -2.24 -0.95 -4.97 114.28 101.32 1j3x n THR 51 Ca -0.02 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1j3x n THR 51 Cb 0.31 0.74 0.19 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.21 -1.21 -2.79 -0.78 2.81 0.29 -5.01 117.12 109.22 1j3x n MET 52 Ca 0.06 -0.30 -0.21 0.00 -1.81 0.00 0.00 57.70 55.43 1j3x n MET 52 Cb 0.35 -2.19 0.03 0.00 -0.71 0.00 0.00 33.22 30.70 1j3x n MET 52 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x s SER 53 N -2.41 5.49 0.51 7.83 0.15 -1.26 -4.90 113.70 119.11 1j3x s SER 53 Ca 0.65 0.05 0.28 0.00 0.70 0.00 0.00 55.95 57.64 1j3x s SER 53 Cb -0.23 -1.08 1.35 0.00 -1.71 0.00 0.00 66.02 64.36 1j3x s SER 53 CO 0.62 -0.96 2.01 0.00 1.20 0.00 0.00 173.24 176.11 1j3x h ALA 54 N 0.23 1.15 -0.04 5.45 0.00 -1.96 0.14 119.26 124.23 1j3x h ALA 54 Ca -0.43 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1j3x h ALA 54 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1j3x h ALA 54 CO 0.53 0.16 -0.45 0.87 0.00 0.00 0.00 179.25 180.37 1j3x h LYS 55 N 0.00 0.09 0.06 0.00 1.79 -1.99 -1.32 116.57 115.21 1j3x h LYS 55 Ca -0.00 -0.04 -0.38 0.00 -2.18 0.00 0.00 60.65 58.05 1j3x h LYS 55 Cb 0.45 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 1j3x h LYS 55 CO 0.02 0.52 -2.22 0.39 -1.08 0.00 0.00 179.45 177.08 1j3x n GLU 56 N -4.00 0.70 0.28 3.15 1.02 -0.95 -4.05 120.64 116.80 1j3x n GLU 56 Ca -0.02 0.22 0.17 0.00 -0.02 0.00 0.00 57.16 57.51 1j3x n GLU 56 Cb 0.48 -1.62 0.79 0.00 -0.02 0.00 0.00 31.44 31.07 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 -0.01 0.00 0.00 3.49 1.57 -1.03 -2.61 116.57 117.99 1j3x h LYS 57 Ca -0.50 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.09 1j3x h LYS 57 Cb 1.95 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.23 1j3x h LYS 57 CO -0.01 0.04 -0.91 0.66 -0.57 0.00 0.00 179.45 178.66 1j3x h SER 58 N 0.00 0.01 0.28 0.86 4.64 -1.40 -2.95 113.55 115.00 1j3x h SER 58 Ca -0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1j3x h SER 58 Cb 0.40 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1j3x h SER 58 CO 0.01 0.92 -0.23 0.50 -0.87 0.00 0.00 176.83 177.15 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.60 -2.06 116.57 121.32 1j3x h LYS 59 Ca -0.01 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.14 1j3x h LYS 59 Cb 1.61 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.39 1j3x h LYS 59 CO 0.12 0.23 -1.34 0.74 -2.27 0.00 0.00 179.45 176.92 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.62 -3.29 116.94 113.99 1j3x h PHE 60 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1j3x h PHE 60 Cb 0.43 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1j3x h PHE 60 CO 0.00 0.89 -0.63 1.49 -0.60 0.00 0.00 178.31 179.46 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.81 -1.29 -2.37 114.58 117.24 1j3x h GLU 61 Ca -0.16 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 1j3x h GLU 61 Cb 1.82 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.18 1j3x h GLU 61 CO 0.09 0.63 -0.61 0.22 -0.73 0.00 0.00 179.01 178.60 1j3x h ASP 62 N 0.00 0.00 0.86 1.04 3.58 -1.49 -2.17 116.42 118.25 1j3x h ASP 62 Ca -0.01 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1j3x h ASP 62 Cb 1.15 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 1j3x h ASP 62 CO 0.08 0.61 -1.20 0.24 -2.88 0.00 0.00 179.24 176.09 1j3x h MET 63 N 0.00 0.00 0.10 0.28 2.86 -1.60 -3.21 114.93 113.36 1j3x h MET 63 Ca -0.01 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 1j3x h MET 63 Cb 1.20 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.87 1j3x h MET 63 CO 0.08 0.80 -1.18 0.00 1.06 0.00 0.00 176.91 177.67 1j3x h ALA 64 N 1.04 0.11 -0.01 6.32 0.00 -1.40 -3.24 119.26 122.08 1j3x h ALA 64 Ca -0.10 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 1j3x h ALA 64 Cb 1.82 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1j3x h ALA 64 CO 0.11 0.80 -0.30 -0.22 0.00 0.00 0.00 179.25 179.64 1j3x h LYS 65 N 0.20 0.01 -0.41 0.00 3.11 -1.50 -1.34 116.57 116.63 1j3x h LYS 65 Ca -0.15 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1j3x h LYS 65 Cb 1.86 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.07 1j3x h LYS 65 CO 0.21 0.31 0.11 1.03 -2.81 0.00 0.00 179.45 178.30 1j3x h SER 66 N 0.01 0.56 0.25 4.20 0.87 -1.57 -0.35 113.55 117.51 1j3x h SER 66 Ca -0.00 -0.08 -0.34 0.00 -1.23 0.00 0.00 61.79 60.14 1j3x h SER 66 Cb 0.54 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1j3x h SER 66 CO 0.04 0.56 -1.74 -0.78 -0.53 0.00 0.00 176.83 174.37 1j3x h ASP 67 N 0.60 0.52 0.26 6.23 3.58 -1.55 -2.87 116.42 123.19 1j3x h ASP 67 Ca 0.14 -0.83 -0.06 0.00 0.42 0.00 0.00 57.03 56.70 1j3x h ASP 67 Cb 0.21 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1j3x h ASP 67 CO -0.00 1.70 -0.27 0.50 -2.88 0.00 0.00 179.24 178.29 1j3x h LYS 68 N 0.09 0.03 0.00 0.28 3.11 -1.11 -2.47 116.57 116.49 1j3x h LYS 68 Ca -0.33 -0.01 -0.20 0.00 -2.81 0.00 0.00 60.65 57.30 1j3x h LYS 68 Cb 2.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 33.27 1j3x h LYS 68 CO 0.16 0.30 -1.19 0.00 -2.81 0.00 0.00 179.45 175.91 1j3x h ALA 69 N 1.70 0.61 -0.57 5.00 0.00 -1.18 -3.31 119.26 121.51 1j3x h ALA 69 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 54.91 53.83 1j3x h ALA 69 Cb 0.50 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1j3x h ALA 69 CO 0.04 1.12 0.18 -2.13 0.00 0.00 0.00 179.25 178.46 1j3x n ARG 70 N -3.12 3.37 -0.95 0.00 0.63 -1.02 -4.10 116.66 111.47 1j3x n ARG 70 Ca -0.07 -2.46 0.04 0.00 -0.92 0.00 0.00 57.85 54.44 1j3x n ARG 70 Cb 0.90 -2.05 0.05 0.00 0.45 0.00 0.00 32.46 31.81 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 0.04 0.00 -0.05 -0.14 9.36 -0.96 -4.83 117.16 120.59 1j3x n TYR 71 Ca 0.31 -0.53 -0.19 0.00 3.32 0.00 0.00 57.90 60.81 1j3x n TYR 71 Cb 1.15 -0.13 -0.13 0.00 -0.63 0.00 0.00 39.34 39.60 1j3x n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1j3x n ASP 72 N -0.04 1.96 -2.01 2.98 2.03 -1.26 -4.28 116.55 115.92 1j3x n ASP 72 Ca 0.07 0.09 -0.21 0.00 0.52 0.00 0.00 54.79 55.26 1j3x n ASP 72 Cb 0.91 -0.61 0.18 0.00 -0.72 0.00 0.00 41.12 40.88 1j3x n ASP 72 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1j3x n ARG 73 N -3.36 2.19 -0.06 -0.67 1.74 -1.26 -4.59 116.66 110.66 1j3x n ARG 73 Ca -0.36 -3.07 -0.04 0.00 -0.77 0.00 0.00 57.85 53.60 1j3x n ARG 73 Cb 1.03 -2.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.06 0.00 -0.89 5.56 4.57 -1.88 -3.37 114.58 119.62 1j3x h GLU 74 Ca 0.55 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 58.19 1j3x h GLU 74 Cb 2.52 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 30.82 1j3x h GLU 74 CO 0.98 0.27 0.53 -1.33 -1.18 0.00 0.00 179.01 178.27 1j3x n MET 75 N -4.71 2.50 -1.79 1.92 2.81 -1.26 -4.56 117.12 112.02 1j3x n MET 75 Ca -0.04 -3.25 -0.28 0.00 -1.81 0.00 0.00 57.70 52.31 1j3x n MET 75 Cb 0.16 -2.19 0.04 0.00 -0.71 0.00 0.00 33.22 30.52 1j3x n MET 75 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1j3x n LYS 76 N -1.01 3.26 0.00 0.03 5.02 -1.26 -4.97 118.16 119.23 1j3x n LYS 76 Ca 0.56 -3.85 0.14 0.00 -2.02 0.00 0.00 58.31 53.14 1j3x n LYS 76 Cb 1.11 -2.28 0.56 0.00 -0.02 0.00 0.00 35.03 34.40 1j3x n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97