#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 -1.30 -0.03 -5.12 0.00 -1.26 -5.06 107.32 94.54 1j3x s GLY 2 Ca 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 44.72 45.16 1j3x s GLY 2 CO 0.00 3.77 -0.07 0.28 0.00 0.00 0.00 173.10 177.08 1j3x n LYS 3 N 4.41 0.11 -2.37 2.90 4.01 -1.26 -4.58 118.16 121.37 1j3x n LYS 3 Ca 0.10 0.04 -0.42 0.00 -0.51 0.00 0.00 58.31 57.51 1j3x n LYS 3 Cb 0.58 -0.62 -0.03 0.00 -0.51 0.00 0.00 35.03 34.45 1j3x n LYS 3 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1j3x s GLY 4 N -3.42 1.93 0.20 0.72 0.00 -1.26 -3.80 107.32 101.69 1j3x s GLY 4 Ca -0.06 0.67 0.08 0.00 0.00 0.00 0.00 44.72 45.41 1j3x s GLY 4 CO 0.09 2.38 -0.15 0.99 0.00 0.00 0.00 173.10 176.40 1j3x s ASP 5 N 1.75 2.61 0.05 1.64 1.01 -1.26 -5.05 116.67 117.42 1j3x s ASP 5 Ca 0.58 -1.00 -0.17 0.00 0.71 0.00 0.00 52.55 52.68 1j3x s ASP 5 Cb -0.26 -0.14 -0.17 0.00 1.01 0.00 0.00 42.92 43.35 1j3x s ASP 5 CO 0.22 -0.15 1.25 1.55 0.21 0.00 0.00 175.17 178.25 1j3x h PRO 6 N 2.65 0.57 0.00 8.23 0.13 -1.95 -3.42 132.00 138.21 1j3x h PRO 6 Ca -0.39 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1j3x h PRO 6 Cb 1.22 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1j3x h PRO 6 CO 0.60 1.08 -0.79 0.09 -0.23 0.00 0.00 178.00 178.76 1j3x n ASN 7 N -4.19 2.98 -4.64 1.44 3.02 -1.26 -5.07 115.26 107.54 1j3x n ASN 7 Ca -0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.17 1j3x n ASN 7 Cb 0.62 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.80 0.71 0.75 3.52 1.02 -1.26 -5.01 119.74 117.67 1j3x s LYS 8 Ca 0.00 1.38 -0.13 0.00 0.02 0.00 0.00 55.97 57.24 1j3x s LYS 8 Cb 0.00 -1.70 0.18 0.00 -0.52 0.00 0.00 37.83 35.79 1j3x s LYS 8 CO 0.00 -2.79 0.75 -0.35 -0.92 0.00 0.00 175.35 172.04 1j3x n PRO 9 N -4.32 -1.95 -2.92 -1.68 -0.04 -1.26 -4.41 135.00 118.42 1j3x n PRO 9 Ca 0.10 -1.18 -0.21 0.00 -0.04 0.00 0.00 63.50 62.17 1j3x n PRO 9 Cb 0.53 -1.01 0.08 0.00 -0.04 0.00 0.00 33.50 33.06 1j3x n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1j3x s ARG 10 N -4.68 2.06 0.00 0.54 3.52 -1.26 -4.44 118.95 114.69 1j3x s ARG 10 Ca 0.47 -1.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.51 1j3x s ARG 10 Cb -0.04 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 1j3x s ARG 10 CO 0.35 -1.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.16 1j3x n GLY 11 N -2.45 -2.13 0.00 8.12 0.00 -1.25 -5.04 105.19 102.45 1j3x n GLY 11 Ca 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.43 1.64 0.00 1.61 5.02 -1.26 -5.08 118.16 119.65 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 -0.62 3.82 -3.82 1.97 1.56 -1.26 -5.08 117.12 113.69 1j3x n MET 13 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.36 1j3x n MET 13 Cb 0.00 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.39 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 0.62 -0.02 0.21 6.12 0.15 -1.26 -4.87 113.70 114.65 1j3x s SER 14 Ca 0.00 -0.99 0.10 0.00 0.70 0.00 0.00 55.95 55.76 1j3x s SER 14 Cb 0.00 0.76 0.06 0.00 -1.71 0.00 0.00 66.02 65.13 1j3x s SER 14 CO 0.00 -1.50 1.43 0.77 1.20 0.00 0.00 173.24 175.14 1j3x h SER 15 N 2.00 0.00 0.33 5.45 4.64 -1.92 -3.12 113.55 120.93 1j3x h SER 15 Ca -0.30 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 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 0.38 0.77 -0.33 0.22 -0.87 0.00 0.00 176.83 176.99 1j3x h TYR 16 N 0.00 0.00 0.10 4.77 5.03 -1.96 -2.29 116.97 122.62 1j3x h TYR 16 Ca -0.01 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 61.02 1j3x h TYR 16 Cb 1.46 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.76 1j3x h TYR 16 CO 0.00 0.33 -1.19 0.00 -1.32 0.00 0.00 178.16 175.98 1j3x h ALA 17 N 1.67 0.08 0.00 1.82 0.00 -1.96 -3.23 119.26 117.65 1j3x h ALA 17 Ca -0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 1j3x h ALA 17 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1j3x h ALA 17 CO 0.04 0.77 -0.32 0.74 0.00 0.00 0.00 179.25 180.48 1j3x h PHE 18 N 0.23 0.00 0.32 0.00 -1.00 -1.45 -2.24 116.94 112.79 1j3x h PHE 18 Ca -0.16 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 1j3x h PHE 18 Cb 1.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.43 1j3x h PHE 18 CO 0.09 0.32 -0.16 0.35 -1.61 0.00 0.00 178.31 177.31 1j3x h PHE 19 N 0.00 -0.40 0.00 -0.55 3.57 -1.43 0.26 116.94 118.38 1j3x h PHE 19 Ca -0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1j3x h PHE 19 Cb 0.62 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1j3x h PHE 19 CO 0.00 -0.22 -0.42 0.28 -2.23 0.00 0.00 178.31 175.73 1j3x h VAL 20 N -0.48 1.25 -0.12 1.41 2.07 -1.62 0.16 116.25 118.92 1j3x h VAL 20 Ca -0.04 -1.44 -0.17 0.00 0.82 0.00 0.00 66.70 65.86 1j3x h VAL 20 Cb 0.36 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1j3x h VAL 20 CO 0.07 0.41 -0.65 -0.61 0.02 0.00 0.00 177.57 176.81 1j3x h GLN 21 N 0.00 0.45 0.04 1.57 -0.00 -1.05 -1.06 115.11 115.06 1j3x h GLN 21 Ca -0.00 -0.33 -0.27 0.00 -0.00 0.00 0.00 58.65 58.05 1j3x h GLN 21 Cb 0.75 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 28.26 1j3x h GLN 21 CO 0.05 0.95 -1.45 1.15 0.00 0.00 0.00 178.83 179.53 1j3x h THR 22 N 0.32 1.20 -0.00 2.39 2.02 -0.25 -3.14 112.91 115.45 1j3x h THR 22 Ca -0.01 -2.93 -0.16 0.00 0.77 0.00 0.00 66.41 64.07 1j3x h THR 22 Cb 1.20 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 1j3x h THR 22 CO 0.11 0.75 -0.76 0.28 0.37 0.00 0.00 175.52 176.28 1j3x h SER 23 N 0.03 0.05 0.25 4.18 0.02 -0.70 -3.13 113.55 114.24 1j3x h SER 23 Ca -0.19 -0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.52 1j3x h SER 23 Cb 1.94 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.47 1j3x h SER 23 CO 0.12 0.79 -0.81 -0.09 -1.14 0.00 0.00 176.83 175.70 1j3x h ARG 24 N 0.02 0.44 0.00 3.45 1.12 -1.29 -3.09 114.38 115.03 1j3x h ARG 24 Ca -0.01 -0.40 -0.04 0.00 -1.11 0.00 0.00 59.98 58.42 1j3x h ARG 24 Cb 1.34 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.39 1j3x h ARG 24 CO 0.10 1.04 -0.21 0.93 -3.11 0.00 0.00 179.97 178.72 1j3x h GLU 25 N 0.28 0.00 -0.81 0.20 5.08 -1.53 -2.24 114.58 115.55 1j3x h GLU 25 Ca -0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1j3x h GLU 25 Cb 1.41 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 1j3x h GLU 25 CO 0.14 0.21 0.21 -1.91 -1.00 0.00 0.00 179.01 176.66 1j3x n GLU 26 N -3.88 3.14 -0.10 2.33 2.13 -1.17 -4.23 120.64 118.86 1j3x n GLU 26 Ca -0.02 -2.36 -0.17 0.00 0.66 0.00 0.00 57.16 55.27 1j3x n GLU 26 Cb 0.30 -2.01 -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 -0.04 0.00 0.26 4.31 -0.00 -0.84 -4.45 115.22 114.46 1j3x n HIS 27 Ca 0.31 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.66 1j3x n HIS 27 Cb 1.15 -0.75 0.89 0.00 -0.12 0.00 0.00 29.99 31.17 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 -0.28 0.00 -0.06 1.57 3.64 -1.74 0.34 116.57 120.04 1j3x h LYS 28 Ca -0.47 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1j3x h LYS 28 Cb 1.60 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1j3x h LYS 28 CO -0.16 0.00 0.06 0.87 -2.27 0.00 0.00 179.45 177.95 1j3x h LYS 29 N 0.00 0.00 0.00 1.90 1.57 -1.80 -3.05 116.57 115.19 1j3x h LYS 29 Ca 0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1j3x h LYS 29 Cb 0.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.39 1j3x h LYS 29 CO -0.00 0.00 -0.65 0.36 -0.57 0.00 0.00 179.45 178.59 1j3x n LYS 30 N -4.09 0.12 -3.05 3.15 2.85 -0.45 -4.93 118.16 111.76 1j3x n LYS 30 Ca -0.01 -1.50 -0.19 0.00 -1.05 0.00 0.00 58.31 55.56 1j3x n LYS 30 Cb 0.16 -0.42 -0.03 0.00 -0.65 0.00 0.00 35.03 34.09 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 0.05 -1.22 -0.04 5.58 8.25 -0.02 -4.97 115.22 122.86 1j3x n HIS 31 Ca 0.04 -3.04 -0.15 0.00 -0.26 0.00 0.00 57.72 54.30 1j3x n HIS 31 Cb 0.85 0.24 -0.09 0.00 1.12 0.00 0.00 29.99 32.11 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 3.86 0.42 -2.47 -0.41 0.13 -1.84 -3.35 132.00 128.35 1j3x h PRO 32 Ca 0.01 -0.32 -0.73 0.00 -0.87 0.00 0.00 66.00 64.09 1j3x h PRO 32 Cb 0.94 0.06 -0.33 0.00 0.13 0.00 0.00 31.00 31.80 1j3x h PRO 32 CO 0.42 0.95 0.35 -0.25 -0.23 0.00 0.00 178.00 179.23 1j3x n ASP 33 N -4.37 5.86 -3.72 1.44 9.92 -1.26 -4.97 116.55 119.46 1j3x n ASP 33 Ca -0.08 -3.55 -0.12 0.00 -0.53 0.00 0.00 54.79 50.51 1j3x n ASP 33 Cb 0.52 -1.00 -0.12 0.00 -0.64 0.00 0.00 41.12 39.88 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1j3x s SER 34 N -2.10 -0.36 -0.60 -2.24 0.01 -1.26 -5.11 113.70 102.05 1j3x s SER 34 Ca 0.38 0.67 -0.22 0.00 1.31 0.00 0.00 55.95 58.09 1j3x s SER 34 Cb 0.15 0.56 0.06 0.00 0.21 0.00 0.00 66.02 67.01 1j3x s SER 34 CO -0.03 -0.17 0.87 -0.94 0.41 0.00 0.00 173.24 173.38 1j3x s SER 35 N 1.24 6.23 -0.97 2.44 1.04 -1.26 -4.96 113.70 117.46 1j3x s SER 35 Ca -0.09 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 1j3x s SER 35 Cb -0.09 -2.39 0.27 0.00 0.10 0.00 0.00 66.02 63.91 1j3x s SER 35 CO -0.10 -1.25 1.10 0.55 0.98 0.00 0.00 173.24 174.52 1j3x n VAL 36 N 5.90 4.07 -0.15 5.02 3.14 -1.26 -5.00 118.33 130.05 1j3x n VAL 36 Ca -0.03 -5.49 -0.18 0.00 -2.96 0.00 0.00 64.34 55.68 1j3x n VAL 36 Cb 0.46 -2.27 0.17 0.00 -1.06 0.00 0.00 33.84 31.14 1j3x n VAL 36 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1j3x n ASN 37 N 1.78 -3.25 -0.03 6.55 5.15 -1.26 -4.72 115.26 119.47 1j3x n ASN 37 Ca 0.25 -0.51 -0.15 0.00 -0.60 0.00 0.00 54.58 53.57 1j3x n ASN 37 Cb 0.37 -0.60 -0.09 0.00 -0.53 0.00 0.00 39.78 38.93 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1j3x h PHE 38 N -2.95 0.52 -0.28 1.20 0.04 -1.98 -2.91 116.94 110.58 1j3x h PHE 38 Ca -0.23 -0.22 -0.17 0.00 2.80 0.00 0.00 57.97 60.16 1j3x h PHE 38 Cb 0.77 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1j3x h PHE 38 CO 0.00 0.95 -0.48 0.00 -0.60 0.00 0.00 178.31 178.18 1j3x h ALA 39 N 0.46 0.43 0.00 2.45 0.00 -1.96 1.36 119.26 122.00 1j3x h ALA 39 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j3x h ALA 39 Cb 0.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1j3x h ALA 39 CO 0.07 0.60 0.00 0.93 0.00 0.00 0.00 179.25 180.85 1j3x h GLU 40 N 0.58 0.00 0.00 0.00 4.39 -1.91 -2.58 114.58 115.06 1j3x h GLU 40 Ca 0.02 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 1j3x h GLU 40 Cb 1.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1j3x h GLU 40 CO 0.11 0.00 -1.48 0.34 -1.16 0.00 0.00 179.01 176.82 1j3x n PHE 41 N -2.56 0.00 0.24 4.33 7.35 -1.03 -4.55 117.46 121.24 1j3x n PHE 41 Ca -0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.11 -0.31 0.87 0.00 0.35 0.00 0.00 39.48 40.49 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 -0.19 0.00 0.22 -2.13 4.64 0.18 0.11 113.55 116.38 1j3x h SER 42 Ca -0.21 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.95 1j3x h SER 42 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1j3x h SER 42 CO -0.09 0.00 -0.65 0.11 -0.87 0.00 0.00 176.83 175.33 1j3x h LYS 43 N 0.00 0.40 0.18 4.77 1.79 -1.64 -2.48 116.57 119.60 1j3x h LYS 43 Ca 0.07 -0.29 -0.30 0.00 -2.18 0.00 0.00 60.65 57.95 1j3x h LYS 43 Cb 0.52 0.05 0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1j3x h LYS 43 CO -0.00 0.92 -1.40 -0.22 -1.08 0.00 0.00 179.45 177.67 1j3x h LYS 44 N 0.29 0.39 0.00 3.15 3.11 -1.10 -3.30 116.57 119.11 1j3x h LYS 44 Ca -0.01 -0.66 -0.02 0.00 -2.81 0.00 0.00 60.65 57.15 1j3x h LYS 44 Cb 1.20 0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 32.67 1j3x h LYS 44 CO 0.11 1.32 -0.08 0.00 -2.81 0.00 0.00 179.45 177.99 1j3x h SER 46 N 0.00 0.29 0.17 0.00 4.64 -1.52 0.22 113.55 117.35 1j3x h SER 46 Ca -0.00 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1j3x h SER 46 Cb 0.15 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1j3x h SER 46 CO 0.01 0.61 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.93 1j3x h GLU 47 N 0.25 0.24 0.11 4.77 5.08 -1.35 -0.78 114.58 122.91 1j3x h GLU 47 Ca 0.03 -0.09 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 1j3x h GLU 47 Cb 0.71 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1j3x h GLU 47 CO 0.05 0.54 -1.55 -0.09 -1.00 0.00 0.00 179.01 176.96 1j3x h ARG 48 N 0.21 0.24 -0.62 2.33 1.12 -1.39 -3.18 114.38 113.10 1j3x h ARG 48 Ca 0.03 -0.40 -0.02 0.00 -1.11 0.00 0.00 59.98 58.48 1j3x h ARG 48 Cb 0.68 0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.76 1j3x h ARG 48 CO 0.05 1.19 0.31 2.35 -3.11 0.00 0.00 179.97 180.76 1j3x h TRP 49 N -0.26 0.85 0.00 2.20 2.91 -0.56 0.81 115.95 121.90 1j3x h TRP 49 Ca -0.34 -0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.55 1j3x h TRP 49 Cb 1.80 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 30.16 1j3x h TRP 49 CO 0.11 0.61 -0.51 0.87 -1.03 0.00 0.00 178.44 178.49 1j3x h LYS 50 N 0.86 0.00 0.00 2.65 1.79 -1.28 -3.11 116.57 117.49 1j3x h LYS 50 Ca 0.22 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1j3x h LYS 50 Cb 0.07 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1j3x h LYS 50 CO -0.03 0.51 -1.40 0.25 -1.08 0.00 0.00 179.45 177.69 1j3x n THR 51 N -3.74 0.39 -1.18 -0.16 -2.24 -0.69 -4.95 114.28 101.69 1j3x n THR 51 Ca -0.01 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 1j3x n THR 51 Cb 0.55 -0.21 0.10 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.52 0.26 -3.04 -0.78 2.81 0.27 -5.02 117.12 109.10 1j3x n MET 52 Ca -0.02 0.15 -0.19 0.00 -1.81 0.00 0.00 57.70 55.83 1j3x n MET 52 Cb 0.56 -2.18 0.04 0.00 -0.71 0.00 0.00 33.22 30.93 1j3x n MET 52 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1j3x n SER 53 N -1.94 2.11 0.25 7.83 3.41 -1.26 -4.89 113.62 119.14 1j3x n SER 53 Ca 0.12 -2.47 0.14 0.00 -0.26 0.00 0.00 58.87 56.40 1j3x n SER 53 Cb 0.50 -0.24 0.61 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.36 1.04 -0.03 7.33 0.00 -1.96 0.66 119.26 126.67 1j3x h ALA 54 Ca -0.26 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1j3x h ALA 54 Cb 1.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1j3x h ALA 54 CO 0.39 0.13 -0.40 0.87 0.00 0.00 0.00 179.25 180.24 1j3x h LYS 55 N 0.00 0.05 0.00 0.00 1.57 -2.00 -1.67 116.57 114.53 1j3x h LYS 55 Ca -0.00 -0.02 -0.42 0.00 -1.87 0.00 0.00 60.65 58.34 1j3x h LYS 55 Cb 0.58 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 1j3x h LYS 55 CO 0.01 0.45 -2.50 0.39 -0.57 0.00 0.00 179.45 177.23 1j3x n GLU 56 N -4.05 0.62 0.30 3.15 1.02 -1.06 -4.33 120.64 116.29 1j3x n GLU 56 Ca -0.02 0.19 0.17 0.00 -0.02 0.00 0.00 57.16 57.48 1j3x n GLU 56 Cb 0.44 -1.50 0.93 0.00 -0.02 0.00 0.00 31.44 31.29 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 -0.36 0.00 -0.01 3.49 1.57 -0.95 -2.13 116.57 118.19 1j3x h LYS 57 Ca -0.62 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1j3x h LYS 57 Cb 1.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.10 1j3x h LYS 57 CO -0.21 0.04 -0.00 0.66 -0.57 0.00 0.00 179.45 179.36 1j3x h SER 58 N 0.00 0.01 0.37 0.86 4.64 -1.49 -0.29 113.55 117.65 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 0.15 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1j3x h SER 58 CO 0.00 0.01 -0.30 0.50 -0.87 0.00 0.00 176.83 176.17 1j3x h LYS 59 N 0.01 0.00 0.00 4.77 3.64 -1.63 -1.97 116.57 121.39 1j3x h LYS 59 Ca 0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1j3x h LYS 59 Cb 0.01 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1j3x h LYS 59 CO 0.00 0.30 -1.81 1.19 -2.27 0.00 0.00 179.45 176.87 1j3x n PHE 60 N -4.03 0.73 0.15 1.91 3.72 -0.44 -3.77 117.46 115.73 1j3x n PHE 60 Ca -0.02 0.26 0.01 0.00 -0.05 0.00 0.00 57.45 57.64 1j3x n PHE 60 Cb 0.36 -1.09 0.20 0.00 -0.94 0.00 0.00 39.48 38.01 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 -0.95 -2.33 114.58 115.31 1j3x h GLU 61 Ca -0.31 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 1j3x h GLU 61 Cb 1.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1j3x h GLU 61 CO 0.06 0.56 -0.77 0.22 -1.00 0.00 0.00 179.01 178.08 1j3x h ASP 62 N 0.00 0.00 1.04 1.42 1.82 -1.51 -2.86 116.42 116.33 1j3x h ASP 62 Ca -0.01 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.44 1j3x h ASP 62 Cb 1.08 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.07 1j3x h ASP 62 CO 0.07 0.77 -1.00 0.24 -1.61 0.00 0.00 179.24 177.71 1j3x h MET 63 N 0.00 0.00 0.02 0.28 2.86 -1.62 -3.07 114.93 113.40 1j3x h MET 63 Ca -0.01 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.40 1j3x h MET 63 Cb 1.52 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.20 1j3x h MET 63 CO 0.10 0.74 -0.91 0.00 1.06 0.00 0.00 176.91 177.91 1j3x h ALA 64 N 1.16 0.08 0.00 6.32 0.00 -1.45 -3.23 119.26 122.14 1j3x h ALA 64 Ca -0.06 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 1j3x h ALA 64 Cb 1.69 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1j3x h ALA 64 CO 0.10 0.55 -0.36 -0.22 0.00 0.00 0.00 179.25 179.32 1j3x h LYS 65 N 0.16 0.00 -0.83 0.00 3.64 -1.62 -0.56 116.57 117.37 1j3x h LYS 65 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1j3x h LYS 65 Cb 1.59 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.37 1j3x h LYS 65 CO 0.18 0.36 0.48 1.03 -2.27 0.00 0.00 179.45 179.23 1j3x h SER 66 N 0.00 1.00 0.51 4.20 0.87 -1.55 -1.89 113.55 116.69 1j3x h SER 66 Ca -0.00 -0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.22 1j3x h SER 66 Cb 0.70 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 1j3x h SER 66 CO 0.05 0.78 -1.68 -0.67 -0.53 0.00 0.00 176.83 174.78 1j3x n ASP 67 N -4.36 0.83 0.01 6.23 -0.08 -1.10 -3.61 116.55 114.47 1j3x n ASP 67 Ca 0.09 0.39 0.01 0.00 -1.51 0.00 0.00 54.79 53.77 1j3x n ASP 67 Cb 0.07 0.03 0.32 0.00 2.34 0.00 0.00 41.12 43.88 1j3x n ASP 67 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1j3x h LYS 68 N 0.00 0.50 0.00 -0.67 3.64 -0.87 -2.45 116.57 116.72 1j3x h LYS 68 Ca -0.27 -0.10 -0.18 0.00 -1.27 0.00 0.00 60.65 58.83 1j3x h LYS 68 Cb 1.93 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.65 1j3x h LYS 68 CO 0.07 0.52 -0.85 0.00 -2.27 0.00 0.00 179.45 176.92 1j3x h ALA 69 N 1.54 0.47 0.00 5.00 0.00 -1.49 -3.23 119.26 121.56 1j3x h ALA 69 Ca 0.11 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1j3x h ALA 69 Cb 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j3x h ALA 69 CO 0.01 1.06 -0.10 -0.09 0.00 0.00 0.00 179.25 180.13 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 9.65 -1.50 -1.62 114.38 120.91 1j3x h ARG 70 Ca -0.01 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1j3x h ARG 70 Cb 1.63 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.19 1j3x h ARG 70 CO 0.11 0.10 -0.46 -0.92 2.80 0.00 0.00 179.97 181.60 1j3x h TYR 71 N 0.00 0.00 -0.03 2.20 3.20 -1.55 -2.86 116.97 117.93 1j3x h TYR 71 Ca -0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1j3x h TYR 71 Cb 0.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1j3x h TYR 71 CO 0.00 0.46 -0.37 0.22 -1.64 0.00 0.00 178.16 176.83 1j3x h ASP 72 N 0.00 0.06 -1.21 -2.11 3.58 -1.43 -2.94 116.42 112.37 1j3x h ASP 72 Ca -0.00 -0.02 -0.70 0.00 0.42 0.00 0.00 57.03 56.73 1j3x h ASP 72 Cb 0.86 -0.02 -0.29 0.00 1.72 0.00 0.00 39.33 41.61 1j3x h ASP 72 CO 0.06 0.42 0.87 0.54 -2.88 0.00 0.00 179.24 178.25 1j3x n ARG 73 N -4.09 2.73 0.05 0.28 1.74 -1.08 -3.88 116.66 112.41 1j3x n ARG 73 Ca -0.02 -3.37 0.00 0.00 -0.77 0.00 0.00 57.85 53.69 1j3x n ARG 73 Cb 0.41 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 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 -0.83 0.00 -0.11 5.56 2.13 -1.11 -4.92 120.64 121.37 1j3x n GLU 74 Ca 0.60 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.30 1j3x n GLU 74 Cb 0.57 -0.33 -0.14 0.00 0.27 0.00 0.00 31.44 31.82 1j3x n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1j3x n MET 75 N -3.25 0.74 -3.31 5.31 2.81 -1.25 -4.97 117.12 113.19 1j3x n MET 75 Ca 0.00 0.06 -0.28 0.00 -1.81 0.00 0.00 57.70 55.67 1j3x n MET 75 Cb 0.12 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 1j3x n MET 75 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1j3x s LYS 76 N -2.48 3.62 0.00 0.03 1.02 -1.25 -5.18 119.74 115.50 1j3x s LYS 76 Ca -0.20 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.78 1j3x s LYS 76 Cb 0.07 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1j3x s LYS 76 CO 0.70 0.19 0.00 -1.71 -0.92 0.00 0.00 175.35 173.61