#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 -0.39 0.16 3.03 0.00 -1.26 -4.82 107.32 104.03 1j3x s GLY 2 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1j3x s GLY 2 CO 0.00 2.81 0.00 1.17 0.00 0.00 0.00 173.10 177.08 1j3x n LYS 3 N 5.34 0.00 -1.89 2.90 3.00 -1.26 -5.10 118.16 121.15 1j3x n LYS 3 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.97 1j3x n LYS 3 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.55 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 -4.68 2.13 0.14 3.14 0.00 -1.16 -4.86 107.32 102.02 1j3x s GLY 4 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1j3x s GLY 4 CO 0.00 0.80 0.00 1.22 0.00 0.00 0.00 173.10 175.12 1j3x n ASP 5 N -2.25 -1.28 -0.03 1.64 8.00 0.29 -4.03 116.55 118.88 1j3x n ASP 5 Ca 0.10 0.62 -0.16 0.00 0.71 0.00 0.00 54.79 56.06 1j3x n ASP 5 Cb 0.52 1.53 -0.08 0.00 -0.02 0.00 0.00 41.12 43.07 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 0.58 0.00 -0.24 0.13 -1.97 -3.42 132.00 127.07 1j3x h PRO 6 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 1.09 -0.65 0.09 -0.23 0.00 0.00 178.00 178.29 1j3x n ASN 7 N -4.18 1.57 -4.85 1.44 3.02 -1.26 -5.07 115.26 105.93 1j3x n ASN 7 Ca -0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.15 1j3x n ASN 7 Cb 0.62 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.79 3.98 0.83 3.52 1.02 -1.26 -5.06 119.74 120.97 1j3x s LYS 8 Ca 0.00 0.72 -0.11 0.00 0.02 0.00 0.00 55.97 56.60 1j3x s LYS 8 Cb 0.00 -2.35 0.09 0.00 -0.52 0.00 0.00 37.83 35.05 1j3x s LYS 8 CO 0.00 0.03 1.09 -1.25 -0.92 0.00 0.00 175.35 174.31 1j3x s PRO 9 N -3.35 1.82 -0.34 -1.68 0.04 -1.26 0.10 135.00 130.33 1j3x s PRO 9 Ca 0.55 0.71 0.07 0.00 0.04 0.00 0.00 61.00 62.38 1j3x s PRO 9 Cb -0.10 -1.88 0.56 0.00 0.04 0.00 0.00 34.50 33.12 1j3x s PRO 9 CO 0.22 -1.82 1.60 2.89 0.04 0.00 0.00 177.00 179.93 1j3x n ARG 10 N -3.58 1.96 0.00 4.56 1.85 -1.26 -3.00 116.66 117.19 1j3x n ARG 10 Ca 0.07 -3.14 0.00 0.00 -1.00 0.00 0.00 57.85 53.78 1j3x n ARG 10 Cb 0.56 -1.93 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1j3x n GLY 11 N -1.13 -1.93 3.31 2.89 0.00 -1.26 -4.81 105.19 102.26 1j3x n GLY 11 Ca 0.41 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 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 0.75 -3.52 1.61 5.02 -1.26 -5.05 118.16 115.72 1j3x n LYS 12 Ca 0.00 -2.89 -0.14 0.00 -2.02 0.00 0.00 58.31 53.26 1j3x n LYS 12 Cb 0.00 0.17 -0.12 0.00 -0.02 0.00 0.00 35.03 35.06 1j3x n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3x s MET 13 N -4.04 0.22 1.17 1.97 0.23 -1.26 -5.09 119.30 112.50 1j3x s MET 13 Ca 0.34 0.47 -0.19 0.00 -1.03 0.00 0.00 55.69 55.28 1j3x s MET 13 Cb -0.03 -0.63 0.28 0.00 -1.53 0.00 0.00 34.83 32.92 1j3x s MET 13 CO 0.22 -0.53 1.16 0.45 -2.03 0.00 0.00 175.02 174.29 1j3x s SER 14 N 2.41 1.26 0.42 -1.18 0.15 -1.26 -4.41 113.70 111.08 1j3x s SER 14 Ca 0.06 0.50 0.11 0.00 0.70 0.00 0.00 55.95 57.33 1j3x s SER 14 Cb -0.14 -0.66 0.89 0.00 -1.71 0.00 0.00 66.02 64.39 1j3x s SER 14 CO -0.12 -3.90 1.96 0.77 1.20 0.00 0.00 173.24 173.15 1j3x h SER 15 N -2.44 0.15 0.25 5.45 4.64 -1.90 -1.97 113.55 117.75 1j3x h SER 15 Ca -0.44 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 1j3x h SER 15 Cb 1.28 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1j3x h SER 15 CO 0.33 0.29 -0.21 0.22 -0.87 0.00 0.00 176.83 176.59 1j3x h TYR 16 N 0.16 0.00 0.00 4.77 3.20 -1.91 -1.91 116.97 121.29 1j3x h TYR 16 Ca 0.03 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 1j3x h TYR 16 Cb 0.30 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1j3x h TYR 16 CO 0.00 0.21 -0.75 0.00 -1.64 0.00 0.00 178.16 175.98 1j3x h ALA 17 N 1.79 0.73 0.00 1.82 0.00 -1.69 -3.17 119.26 118.74 1j3x h ALA 17 Ca -0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 1j3x h ALA 17 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 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 -0.21 0.00 0.04 -1.33 -2.36 116.94 113.09 1j3x h PHE 18 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1j3x h PHE 18 Cb 1.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.50 1j3x h PHE 18 CO 0.00 0.86 0.06 0.35 -0.60 0.00 0.00 178.31 178.98 1j3x h PHE 19 N 0.00 0.33 0.00 -0.55 3.57 -1.34 0.35 116.94 119.30 1j3x h PHE 19 Ca -0.01 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.29 1j3x h PHE 19 Cb 1.64 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.26 1j3x h PHE 19 CO 0.00 0.41 -0.81 0.28 -2.23 0.00 0.00 178.31 175.96 1j3x h VAL 20 N 0.16 1.47 0.03 1.41 2.07 -1.64 -1.58 116.25 118.17 1j3x h VAL 20 Ca 0.07 -2.89 -0.23 0.00 0.82 0.00 0.00 66.70 64.46 1j3x h VAL 20 Cb 0.24 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1j3x h VAL 20 CO -0.00 0.80 -1.01 -0.61 0.02 0.00 0.00 177.57 176.77 1j3x h GLN 21 N 0.00 0.33 0.00 1.57 -0.00 -1.29 -1.15 115.11 114.57 1j3x h GLN 21 Ca -0.01 -0.40 -0.22 0.00 -0.00 0.00 0.00 58.65 58.02 1j3x h GLN 21 Cb 1.54 0.12 -0.03 0.00 0.00 0.00 0.00 27.48 29.11 1j3x h GLN 21 CO 0.11 1.10 -1.19 1.15 0.00 0.00 0.00 178.83 180.00 1j3x h THR 22 N 0.16 1.27 0.01 2.39 2.02 -0.35 -3.30 112.91 115.11 1j3x h THR 22 Ca -0.09 -2.97 -0.24 0.00 0.77 0.00 0.00 66.41 63.88 1j3x h THR 22 Cb 1.67 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 70.65 1j3x h THR 22 CO 0.17 0.73 -1.23 0.28 0.37 0.00 0.00 175.52 175.83 1j3x h SER 23 N 0.00 0.02 -0.52 4.18 0.02 -1.34 -3.26 113.55 112.65 1j3x h SER 23 Ca -0.10 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1j3x h SER 23 Cb 1.79 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.30 1j3x h SER 23 CO 0.10 1.02 0.23 0.03 -1.14 0.00 0.00 176.83 177.07 1j3x h ARG 24 N 0.00 0.76 -0.13 3.45 2.47 -1.31 -2.00 114.38 117.62 1j3x h ARG 24 Ca -0.10 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.43 1j3x h ARG 24 Cb 1.85 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 30.03 1j3x h ARG 24 CO 0.12 0.65 -0.21 1.49 0.56 0.00 0.00 179.97 182.57 1j3x h GLU 25 N 0.70 0.22 -0.83 0.04 4.81 -1.67 -2.23 114.58 115.62 1j3x h GLU 25 Ca 0.18 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.13 1j3x h GLU 25 Cb 0.15 -0.02 -0.13 0.00 0.63 0.00 0.00 28.75 29.38 1j3x h GLU 25 CO -0.02 0.43 0.27 -1.91 -0.73 0.00 0.00 179.01 177.05 1j3x n GLU 26 N -4.21 3.06 -0.10 1.92 2.13 -0.93 -4.27 120.64 118.25 1j3x n GLU 26 Ca -0.01 -2.47 -0.18 0.00 0.66 0.00 0.00 57.16 55.15 1j3x n GLU 26 Cb 0.32 -2.03 -0.08 0.00 0.27 0.00 0.00 31.44 29.92 1j3x n GLU 26 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1j3x n HIS 27 N -0.17 0.00 0.28 4.31 -0.00 -0.80 -4.47 115.22 114.37 1j3x n HIS 27 Ca 0.35 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.66 1j3x n HIS 27 Cb 1.23 -0.74 0.80 0.00 -0.12 0.00 0.00 29.99 31.16 1j3x n HIS 27 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1j3x h LYS 28 N -0.42 0.00 0.00 1.57 3.64 -1.74 0.33 116.57 119.94 1j3x h LYS 28 Ca -0.49 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1j3x h LYS 28 Cb 1.55 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1j3x h LYS 28 CO -0.21 0.01 -0.03 0.87 -2.27 0.00 0.00 179.45 177.82 1j3x h LYS 29 N 0.00 0.00 0.00 1.90 1.57 -1.79 -3.02 116.57 115.23 1j3x h LYS 29 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1j3x h LYS 29 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1j3x h LYS 29 CO 0.00 0.03 -0.37 0.36 -0.57 0.00 0.00 179.45 178.90 1j3x n LYS 30 N -3.98 0.47 -3.08 3.15 2.85 -0.53 -4.88 118.16 112.16 1j3x n LYS 30 Ca -0.03 -1.65 -0.17 0.00 -1.05 0.00 0.00 58.31 55.41 1j3x n LYS 30 Cb 0.12 -0.83 -0.01 0.00 -0.65 0.00 0.00 35.03 33.65 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 -0.48 -0.79 0.01 5.58 8.25 -0.01 -4.95 115.22 122.84 1j3x n HIS 31 Ca 0.06 -3.29 -0.13 0.00 -0.26 0.00 0.00 57.72 54.11 1j3x n HIS 31 Cb 0.71 0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.92 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 3.37 0.61 0.02 -0.41 0.13 -1.84 -3.25 132.00 130.63 1j3x h PRO 32 Ca 0.04 -0.48 -0.25 0.00 -0.87 0.00 0.00 66.00 64.44 1j3x h PRO 32 Cb 0.97 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 1j3x h PRO 32 CO 0.41 1.10 -1.30 -0.44 -0.23 0.00 0.00 178.00 177.54 1j3x h ASP 33 N 0.43 0.08 -3.30 1.44 3.32 -1.95 -3.44 116.42 112.99 1j3x h ASP 33 Ca -0.03 -0.10 -0.57 0.00 0.02 0.00 0.00 57.03 56.34 1j3x h ASP 33 Cb 1.31 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.77 1j3x h ASP 33 CO 0.14 1.08 -0.08 -0.55 -1.72 0.00 0.00 179.24 178.11 1j3x s SER 34 N -6.58 6.81 0.16 6.45 0.15 -1.23 -5.08 113.70 114.39 1j3x s SER 34 Ca -0.02 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1j3x s SER 34 Cb 0.09 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1j3x s SER 34 CO 0.83 0.05 0.00 -1.54 1.20 0.00 0.00 173.24 173.78 1j3x n SER 35 N 3.24 0.00 -3.15 5.45 3.41 -1.26 -4.81 113.62 116.50 1j3x n SER 35 Ca -0.07 -0.75 0.05 0.00 -0.26 0.00 0.00 58.87 57.84 1j3x n SER 35 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1j3x n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j3x s VAL 36 N 0.83 -0.68 -0.76 -3.33 0.11 -1.26 -4.98 120.40 110.33 1j3x s VAL 36 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1j3x s VAL 36 Cb 0.00 -0.78 0.36 0.00 -1.53 0.00 0.00 36.38 34.43 1j3x s VAL 36 CO 0.00 0.00 1.73 -0.46 -3.33 0.00 0.00 175.10 173.04 1j3x n ASN 37 N 5.34 6.69 0.00 3.54 0.23 -1.26 -4.94 115.26 124.86 1j3x n ASN 37 Ca 0.03 -3.79 0.00 0.00 -0.53 0.00 0.00 54.58 50.30 1j3x n ASN 37 Cb 0.55 -0.91 0.00 0.00 -2.08 0.00 0.00 39.78 37.34 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1j3x n PHE 38 N -0.46 0.00 -0.11 -2.53 3.72 -1.26 -4.19 117.46 112.63 1j3x n PHE 38 Ca 0.49 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.79 1j3x n PHE 38 Cb 0.35 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.44 0.00 4.37 0.00 -1.96 1.97 119.26 124.08 1j3x h ALA 39 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j3x h ALA 39 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j3x h ALA 39 CO 0.00 -0.02 0.02 1.49 0.00 0.00 0.00 179.25 180.74 1j3x h GLU 40 N 0.43 0.00 0.00 0.00 4.81 -1.94 -2.26 114.58 115.62 1j3x h GLU 40 Ca 0.12 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.07 1j3x h GLU 40 Cb 0.08 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1j3x h GLU 40 CO -0.02 0.00 -1.98 0.34 -0.73 0.00 0.00 179.01 176.62 1j3x n PHE 41 N -2.81 0.00 0.17 0.92 7.35 -0.50 -4.23 117.46 118.35 1j3x n PHE 41 Ca -0.02 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.85 1j3x n PHE 41 Cb 0.07 -0.64 0.80 0.00 0.35 0.00 0.00 39.48 40.06 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 -0.38 0.00 0.95 -2.13 4.64 0.32 0.71 113.55 117.66 1j3x h SER 42 Ca -0.42 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.70 1j3x h SER 42 Cb 1.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.53 1j3x h SER 42 CO -0.19 0.00 -1.11 0.11 -0.87 0.00 0.00 176.83 174.77 1j3x h LYS 43 N 0.00 0.00 0.05 4.77 1.57 -1.60 -3.21 116.57 118.15 1j3x h LYS 43 Ca 0.12 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.58 1j3x h LYS 43 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1j3x h LYS 43 CO -0.00 0.69 -1.79 1.17 -0.57 0.00 0.00 179.45 178.95 1j3x n LYS 44 N -3.20 0.65 0.28 3.15 3.00 0.44 -4.05 118.16 118.44 1j3x n LYS 44 Ca -0.05 0.38 0.15 0.00 -0.00 0.00 0.00 58.31 58.80 1j3x n LYS 44 Cb 0.91 -1.69 0.89 0.00 0.00 0.00 0.00 35.03 35.14 1j3x n LYS 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3x h SER 46 N 0.00 0.77 -0.57 0.00 4.64 -1.71 0.48 113.55 117.16 1j3x h SER 46 Ca 0.01 -0.34 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1j3x h SER 46 Cb 0.06 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1j3x h SER 46 CO -0.00 1.06 0.14 -0.33 -0.87 0.00 0.00 176.83 176.83 1j3x h GLU 47 N 0.60 0.92 0.15 4.77 4.39 -1.37 0.77 114.58 124.81 1j3x h GLU 47 Ca 0.05 -0.22 -0.30 0.00 0.34 0.00 0.00 59.36 59.23 1j3x h GLU 47 Cb 0.91 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 29.47 1j3x h GLU 47 CO 0.08 0.85 -1.29 -0.09 -1.16 0.00 0.00 179.01 177.40 1j3x h ARG 48 N 0.82 0.57 0.12 2.33 2.43 -1.41 -2.92 114.38 116.31 1j3x h ARG 48 Ca 0.18 -0.81 -0.01 0.00 -0.81 0.00 0.00 59.98 58.53 1j3x h ARG 48 Cb 0.35 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1j3x h ARG 48 CO 0.00 1.37 -0.06 2.35 -1.51 0.00 0.00 179.97 182.13 1j3x h TRP 49 N 0.23 -0.15 0.00 2.20 2.91 0.06 0.86 115.95 122.06 1j3x h TRP 49 Ca -0.20 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.81 1j3x h TRP 49 Cb 1.97 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 30.67 1j3x h TRP 49 CO 0.11 -0.00 -0.05 0.87 -1.03 0.00 0.00 178.44 178.34 1j3x h LYS 50 N -0.26 0.00 0.00 2.65 1.57 -0.95 -1.89 116.57 117.69 1j3x h LYS 50 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1j3x h LYS 50 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1j3x h LYS 50 CO 0.03 0.05 -1.11 0.25 -0.57 0.00 0.00 179.45 178.10 1j3x n THR 51 N -3.81 0.04 -0.51 -0.16 -2.24 -0.89 -4.98 114.28 101.73 1j3x n THR 51 Ca -0.03 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1j3x n THR 51 Cb 0.15 0.60 0.23 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.72 -2.47 -3.56 -0.78 2.81 0.29 -5.02 117.12 106.67 1j3x n MET 52 Ca 0.02 -0.70 -0.20 0.00 -1.81 0.00 0.00 57.70 55.01 1j3x n MET 52 Cb 0.39 -1.96 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 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 -2.22 5.60 0.52 7.83 0.01 -1.26 -4.93 113.70 119.24 1j3x s SER 53 Ca 0.63 -0.38 0.35 0.00 1.31 0.00 0.00 55.95 57.86 1j3x s SER 53 Cb -0.19 -1.02 1.68 0.00 0.21 0.00 0.00 66.02 66.70 1j3x s SER 53 CO 0.64 -0.46 2.04 0.00 0.41 0.00 0.00 173.24 175.88 1j3x h ALA 54 N 1.01 1.00 0.00 1.44 0.00 -1.96 -0.06 119.26 120.69 1j3x h ALA 54 Ca -0.44 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1j3x h ALA 54 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1j3x h ALA 54 CO 0.54 0.00 -0.66 0.87 0.00 0.00 0.00 179.25 180.01 1j3x h LYS 55 N 0.00 0.00 0.01 0.00 1.57 -1.99 -1.95 116.57 114.20 1j3x h LYS 55 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1j3x h LYS 55 Cb 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1j3x h LYS 55 CO 0.00 0.66 -2.40 0.39 -0.57 0.00 0.00 179.45 177.53 1j3x n GLU 56 N -3.74 0.67 0.25 3.15 1.02 -0.84 -4.30 120.64 116.84 1j3x n GLU 56 Ca -0.01 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 1j3x n GLU 56 Cb 0.65 -1.54 0.54 0.00 -0.02 0.00 0.00 31.44 31.06 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 -1.12 -2.95 116.57 117.56 1j3x h LYS 57 Ca -0.55 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.13 1j3x h LYS 57 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.30 1j3x h LYS 57 CO -0.04 0.11 -0.46 0.66 -0.57 0.00 0.00 179.45 179.15 1j3x h SER 58 N 0.00 0.00 0.37 0.86 4.64 -1.54 -1.48 113.55 116.40 1j3x h SER 58 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1j3x h SER 58 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1j3x h SER 58 CO 0.01 0.46 -0.28 0.50 -0.87 0.00 0.00 176.83 176.65 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.72 -2.24 116.57 121.02 1j3x h LYS 59 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1j3x h LYS 59 Cb 0.84 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1j3x h LYS 59 CO 0.06 0.28 -1.87 1.19 -2.27 0.00 0.00 179.45 176.84 1j3x n PHE 60 N -4.01 0.63 0.17 1.91 3.72 -1.07 -3.89 117.46 114.92 1j3x n PHE 60 Ca -0.02 0.22 0.03 0.00 -0.05 0.00 0.00 57.45 57.63 1j3x n PHE 60 Cb 0.34 -1.07 0.28 0.00 -0.94 0.00 0.00 39.48 38.09 1j3x n PHE 60 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j3x h GLU 61 N 0.00 0.00 0.00 -1.08 5.08 -1.11 -2.48 114.58 114.99 1j3x h GLU 61 Ca -0.32 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.89 1j3x h GLU 61 Cb 1.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 1j3x h GLU 61 CO 0.05 0.47 -0.70 0.22 -1.00 0.00 0.00 179.01 178.05 1j3x h ASP 62 N 0.00 0.00 1.10 1.42 1.82 -1.56 -2.91 116.42 116.29 1j3x h ASP 62 Ca -0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.46 1j3x h ASP 62 Cb 0.94 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 1j3x h ASP 62 CO 0.06 0.70 -0.94 0.24 -1.61 0.00 0.00 179.24 177.69 1j3x h MET 63 N 0.00 0.00 0.00 0.28 2.86 -1.64 -3.26 114.93 113.18 1j3x h MET 63 Ca -0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 1j3x h MET 63 Cb 1.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 1j3x h MET 63 CO 0.09 0.68 -0.81 0.00 1.06 0.00 0.00 176.91 177.93 1j3x h ALA 64 N 1.23 0.47 0.00 6.32 0.00 -1.48 -3.25 119.26 122.56 1j3x h ALA 64 Ca -0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 54.01 1j3x h ALA 64 Cb 1.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1j3x h ALA 64 CO 0.09 1.02 -0.51 -0.22 0.00 0.00 0.00 179.25 179.62 1j3x h LYS 65 N 0.00 0.00 0.43 0.00 1.63 -1.58 -2.75 116.57 114.29 1j3x h LYS 65 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1j3x h LYS 65 Cb 1.62 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.26 1j3x h LYS 65 CO 0.11 0.51 -0.20 1.03 -3.45 0.00 0.00 179.45 177.45 1j3x h SER 66 N 0.00 -0.48 0.17 4.20 0.87 -1.59 -2.05 113.55 114.66 1j3x h SER 66 Ca -0.01 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1j3x h SER 66 Cb 1.03 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1j3x h SER 66 CO 0.07 -0.28 -0.29 -2.24 -0.53 0.00 0.00 176.83 173.55 1j3x h ASP 67 N -0.65 0.20 0.29 6.23 3.04 -1.68 -0.35 116.42 123.50 1j3x h ASP 67 Ca -0.06 -0.06 -0.04 0.00 -3.24 0.00 0.00 57.03 53.63 1j3x h ASP 67 Cb 0.48 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 38.71 1j3x h ASP 67 CO 0.10 0.49 -0.20 0.50 -2.04 0.00 0.00 179.24 178.09 1j3x h LYS 68 N 0.18 0.00 0.00 4.15 1.63 -1.27 0.06 116.57 121.32 1j3x h LYS 68 Ca 0.03 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.54 1j3x h LYS 68 Cb 0.61 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 1j3x h LYS 68 CO 0.04 0.20 -2.03 0.00 -3.45 0.00 0.00 179.45 174.22 1j3x n ALA 69 N -2.42 1.69 0.11 5.00 0.00 -0.79 -4.24 120.51 119.86 1j3x n ALA 69 Ca -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 1j3x n ALA 69 Cb 0.28 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 0.00 0.00 0.00 2.43 -0.88 -3.23 114.38 112.71 1j3x h ARG 70 Ca -0.37 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1j3x h ARG 70 Cb 1.97 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1j3x h ARG 70 CO 0.04 0.72 -0.03 -0.92 -1.51 0.00 0.00 179.97 178.27 1j3x h TYR 71 N 0.00 0.00 -0.42 2.20 3.20 -1.16 -1.75 116.97 119.05 1j3x h TYR 71 Ca -0.01 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1j3x h TYR 71 Cb 1.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.77 1j3x h TYR 71 CO 0.00 0.03 -0.13 -0.44 -1.64 0.00 0.00 178.16 175.98 1j3x h ASP 72 N 0.00 0.75 -0.84 -2.11 5.19 -1.76 -3.06 116.42 114.59 1j3x h ASP 72 Ca -0.00 -0.23 -0.58 0.00 -0.62 0.00 0.00 57.03 55.60 1j3x h ASP 72 Cb 0.06 -0.20 -0.34 0.00 0.18 0.00 0.00 39.33 39.02 1j3x h ASP 72 CO 0.00 0.90 0.00 0.54 -3.12 0.00 0.00 179.24 177.57 1j3x n ARG 73 N -4.15 3.06 -0.12 3.56 1.74 -0.71 -4.38 116.66 115.66 1j3x n ARG 73 Ca 0.01 -3.70 -0.23 0.00 -0.77 0.00 0.00 57.85 53.16 1j3x n ARG 73 Cb 0.38 -2.25 -0.08 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 -0.84 0.57 -2.80 5.56 2.13 -0.91 -4.82 120.64 119.53 1j3x n GLU 74 Ca 0.52 0.29 -0.00 0.00 0.66 0.00 0.00 57.16 58.62 1j3x n GLU 74 Cb 0.85 -1.51 0.07 0.00 0.27 0.00 0.00 31.44 31.12 1j3x n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1j3x n MET 75 N -4.33 1.65 -4.48 5.31 0.00 -1.26 -5.09 117.12 108.92 1j3x n MET 75 Ca -0.41 -3.05 -0.34 0.00 0.00 0.00 0.00 57.70 53.90 1j3x n MET 75 Cb 0.76 -1.20 -0.13 0.00 0.00 0.00 0.00 33.22 32.65 1j3x n MET 75 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1j3x s LYS 76 N -3.01 3.55 0.00 3.17 1.02 -1.26 -5.17 119.74 118.03 1j3x s LYS 76 Ca 0.23 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1j3x s LYS 76 Cb 0.35 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1j3x s LYS 76 CO -0.06 0.19 0.00 -1.71 -0.92 0.00 0.00 175.35 172.85