#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 2.04 -0.34 3.03 0.00 -1.26 -4.93 107.32 105.86 1j3x s GLY 2 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 44.72 44.14 1j3x s GLY 2 CO 0.00 0.55 1.48 1.17 0.00 0.00 0.00 173.10 176.30 1j3x n LYS 3 N 4.29 1.37 -0.10 2.90 4.81 -1.26 -4.94 118.16 125.23 1j3x n LYS 3 Ca -0.12 -1.50 -0.21 0.00 -0.87 0.00 0.00 58.31 55.60 1j3x n LYS 3 Cb 0.52 0.18 -0.12 0.00 0.02 0.00 0.00 35.03 35.63 1j3x n LYS 3 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1j3x h GLY 4 N 1.29 0.00 -2.97 3.14 0.00 -1.89 -3.48 103.07 99.16 1j3x h GLY 4 Ca -0.40 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.46 1j3x h GLY 4 CO -0.14 0.00 -0.44 0.99 0.00 0.00 0.00 176.54 176.95 1j3x s ASP 5 N -6.80 5.92 0.04 0.19 1.11 -1.26 -5.03 116.67 110.84 1j3x s ASP 5 Ca -0.28 -0.13 -0.18 0.00 0.18 0.00 0.00 52.55 52.14 1j3x s ASP 5 Cb 0.05 -1.53 -0.19 0.00 1.07 0.00 0.00 42.92 42.33 1j3x s ASP 5 CO 0.60 -0.16 1.21 1.55 1.18 0.00 0.00 175.17 179.56 1j3x h PRO 6 N 1.22 0.50 -1.09 8.23 0.13 -1.98 -3.37 132.00 135.65 1j3x h PRO 6 Ca -0.49 -0.42 -0.46 0.00 -0.87 0.00 0.00 66.00 63.75 1j3x h PRO 6 Cb 1.24 0.09 -0.41 0.00 0.13 0.00 0.00 31.00 32.05 1j3x h PRO 6 CO 0.59 1.06 -0.95 0.09 -0.23 0.00 0.00 178.00 178.55 1j3x n ASN 7 N -4.23 3.23 -3.59 1.44 3.02 -1.26 -5.06 115.26 108.81 1j3x n ASN 7 Ca -0.08 -3.16 -0.16 0.00 -0.03 0.00 0.00 54.58 51.14 1j3x n ASN 7 Cb 0.61 -0.47 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 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 -3.44 0.95 1.15 3.52 1.02 -1.26 -5.03 119.74 116.64 1j3x s LYS 8 Ca 0.39 0.11 -0.19 0.00 0.02 0.00 0.00 55.97 56.30 1j3x s LYS 8 Cb 0.41 0.44 0.27 0.00 -0.52 0.00 0.00 37.83 38.43 1j3x s LYS 8 CO -0.06 -0.29 1.17 -1.25 -0.92 0.00 0.00 175.35 174.00 1j3x s PRO 9 N -1.29 -0.79 0.60 -1.68 0.04 -1.26 -4.11 135.00 126.52 1j3x s PRO 9 Ca -0.12 -0.20 0.05 0.00 0.04 0.00 0.00 61.00 60.78 1j3x s PRO 9 Cb -0.02 -1.66 0.08 0.00 0.04 0.00 0.00 34.50 32.95 1j3x s PRO 9 CO 0.08 -3.40 0.82 0.50 0.04 0.00 0.00 177.00 175.04 1j3x s ARG 10 N -5.57 2.20 0.86 4.56 3.52 -1.26 -4.66 118.95 118.60 1j3x s ARG 10 Ca 0.72 -1.31 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 1j3x s ARG 10 Cb -0.07 -2.54 0.11 0.00 -1.56 0.00 0.00 34.95 30.88 1j3x s ARG 10 CO 0.55 -0.95 1.13 0.20 -0.81 0.00 0.00 175.30 175.42 1j3x s GLY 11 N -4.61 1.73 0.59 8.12 0.00 -1.26 -4.98 107.32 106.90 1j3x s GLY 11 Ca 0.62 0.51 -0.09 0.00 0.00 0.00 0.00 44.72 45.75 1j3x s GLY 11 CO 0.40 0.90 0.80 0.28 0.00 0.00 0.00 173.10 175.47 1j3x n LYS 12 N -3.91 -0.70 -3.61 2.90 5.02 -1.26 -5.03 118.16 111.56 1j3x n LYS 12 Ca 0.11 -1.30 -0.07 0.00 -2.02 0.00 0.00 58.31 55.02 1j3x n LYS 12 Cb 0.52 -0.80 -0.08 0.00 -0.02 0.00 0.00 35.03 34.65 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j3x s MET 13 N -4.71 0.36 1.04 1.97 -1.94 -1.26 -5.04 119.30 109.72 1j3x s MET 13 Ca 0.46 1.04 -0.18 0.00 -1.71 0.00 0.00 55.69 55.30 1j3x s MET 13 Cb -0.01 0.33 0.24 0.00 2.01 0.00 0.00 34.83 37.39 1j3x s MET 13 CO 0.32 -0.29 1.32 0.45 -0.01 0.00 0.00 175.02 176.81 1j3x s SER 14 N 2.65 2.43 0.35 3.03 0.15 -1.26 -4.22 113.70 116.83 1j3x s SER 14 Ca -0.00 0.20 0.15 0.00 0.70 0.00 0.00 55.95 56.99 1j3x s SER 14 Cb -0.12 -0.16 0.64 0.00 -1.71 0.00 0.00 66.02 64.66 1j3x s SER 14 CO -0.14 -3.15 1.75 0.77 1.20 0.00 0.00 173.24 173.66 1j3x h SER 15 N -1.93 0.00 0.49 5.45 4.64 -1.92 -2.90 113.55 117.39 1j3x h SER 15 Ca -0.44 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.72 1j3x h SER 15 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1j3x h SER 15 CO 0.31 0.44 -0.70 0.22 -0.87 0.00 0.00 176.83 176.22 1j3x h TYR 16 N 0.00 0.24 -0.13 4.77 3.20 -1.92 -2.85 116.97 120.28 1j3x h TYR 16 Ca -0.00 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 1j3x h TYR 16 Cb 0.85 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1j3x h TYR 16 CO 0.00 0.82 -0.13 0.00 -1.64 0.00 0.00 178.16 177.20 1j3x h ALA 17 N 1.15 0.19 0.00 1.82 0.00 -1.87 -3.01 119.26 117.54 1j3x h ALA 17 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1j3x h ALA 17 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1j3x h ALA 17 CO 0.10 0.06 -0.11 0.74 0.00 0.00 0.00 179.25 180.04 1j3x h PHE 18 N -0.07 0.00 0.81 0.00 0.04 -1.55 -1.44 116.94 114.72 1j3x h PHE 18 Ca 0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1j3x h PHE 18 Cb 0.66 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.82 1j3x h PHE 18 CO 0.09 0.11 -0.39 0.35 -0.60 0.00 0.00 178.31 177.87 1j3x h PHE 19 N 0.00 -1.01 0.00 -0.55 3.57 -1.37 0.23 116.94 117.81 1j3x h PHE 19 Ca -0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1j3x h PHE 19 Cb 0.21 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1j3x h PHE 19 CO 0.00 -0.63 -0.15 0.28 -2.23 0.00 0.00 178.31 175.58 1j3x h VAL 20 N -1.16 1.10 0.02 1.41 2.07 -1.48 -1.03 116.25 117.18 1j3x h VAL 20 Ca -0.11 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1j3x h VAL 20 Cb 0.83 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1j3x h VAL 20 CO 0.18 0.15 -0.01 -0.61 0.02 0.00 0.00 177.57 177.30 1j3x h GLN 21 N 0.00 -0.02 0.00 1.57 -0.00 -1.05 -0.28 115.11 115.33 1j3x h GLN 21 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1j3x h GLN 21 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 1j3x h GLN 21 CO 0.02 0.40 -0.30 1.15 0.00 0.00 0.00 178.83 180.09 1j3x h THR 22 N -0.44 1.13 0.00 2.39 2.02 -0.30 -2.40 112.91 115.31 1j3x h THR 22 Ca -0.00 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1j3x h THR 22 Cb 0.43 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1j3x h THR 22 CO 0.00 0.29 -0.18 0.28 0.37 0.00 0.00 175.52 176.29 1j3x h SER 23 N 0.00 0.00 -0.16 4.18 0.02 -1.09 -3.14 113.55 113.36 1j3x h SER 23 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1j3x h SER 23 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1j3x h SER 23 CO 0.04 0.12 -0.24 -0.09 -1.14 0.00 0.00 176.83 175.51 1j3x h ARG 24 N 0.00 0.45 -0.39 3.45 1.12 -0.51 -2.38 114.38 116.12 1j3x h ARG 24 Ca -0.00 -0.27 -0.06 0.00 -1.11 0.00 0.00 59.98 58.54 1j3x h ARG 24 Cb 1.09 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 1j3x h ARG 24 CO 0.01 0.86 0.02 0.93 -3.11 0.00 0.00 179.97 178.68 1j3x h GLU 25 N 0.08 0.68 0.00 0.20 5.08 -1.63 -2.47 114.58 116.52 1j3x h GLU 25 Ca 0.02 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1j3x h GLU 25 Cb 0.81 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1j3x h GLU 25 CO 0.06 0.76 -0.04 1.49 -1.00 0.00 0.00 179.01 180.27 1j3x h GLU 26 N 0.51 0.00 -1.16 2.33 4.81 -1.56 -2.07 114.58 117.44 1j3x h GLU 26 Ca 0.11 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.80 1j3x h GLU 26 Cb 0.44 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.58 1j3x h GLU 26 CO 0.02 0.04 0.70 1.58 -0.73 0.00 0.00 179.01 180.63 1j3x n HIS 27 N -3.92 2.66 -1.93 0.92 -0.00 -0.90 -4.37 115.22 107.67 1j3x n HIS 27 Ca -0.03 -2.56 -0.03 0.00 0.46 0.00 0.00 57.72 55.56 1j3x n HIS 27 Cb 0.13 -1.24 0.12 0.00 -0.12 0.00 0.00 29.99 28.88 1j3x n HIS 27 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1j3x n LYS 28 N -0.54 1.95 0.03 1.57 4.81 -0.78 -4.75 118.16 120.45 1j3x n LYS 28 Ca 0.52 -3.39 -0.01 0.00 -0.87 0.00 0.00 58.31 54.55 1j3x n LYS 28 Cb 0.73 -1.58 -0.00 0.00 0.02 0.00 0.00 35.03 34.19 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3x n LYS 29 N -0.74 0.09 -3.05 1.64 4.01 -1.26 -4.87 118.16 113.97 1j3x n LYS 29 Ca 0.23 0.03 -0.32 0.00 -0.51 0.00 0.00 58.31 57.75 1j3x n LYS 29 Cb 0.84 -0.63 -0.03 0.00 -0.51 0.00 0.00 35.03 34.69 1j3x n LYS 29 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1j3x n LYS 30 N -3.61 3.62 -3.07 1.97 0.00 -1.26 -4.82 118.16 110.98 1j3x n LYS 30 Ca -0.02 -4.72 -0.16 0.00 -0.00 0.00 0.00 58.31 53.41 1j3x n LYS 30 Cb 0.08 -2.33 0.00 0.00 -0.00 0.00 0.00 35.03 32.78 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1j3x n HIS 31 N 0.39 -0.67 -0.03 5.58 8.25 -1.26 -4.96 115.22 122.52 1j3x n HIS 31 Ca 0.33 -3.35 -0.13 0.00 -0.26 0.00 0.00 57.72 54.31 1j3x n HIS 31 Cb 0.36 0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 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 3.06 -0.01 -1.33 -0.41 0.13 -1.97 -3.36 132.00 128.10 1j3x h PRO 32 Ca 0.04 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.62 1j3x h PRO 32 Cb 1.00 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.71 1j3x h PRO 32 CO 0.40 0.61 -0.80 -0.40 -0.23 0.00 0.00 178.00 177.59 1j3x n ASP 33 N -4.79 4.34 0.04 1.44 5.75 -1.26 -4.75 116.55 117.32 1j3x n ASP 33 Ca -0.09 -3.59 0.10 0.00 -0.01 0.00 0.00 54.79 51.21 1j3x n ASP 33 Cb 0.31 -0.45 -0.09 0.00 -1.03 0.00 0.00 41.12 39.86 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1j3x n SER 34 N -0.47 0.43 -3.93 -1.12 2.88 -1.26 -4.98 113.62 105.17 1j3x n SER 34 Ca 0.36 0.17 -0.29 0.00 -1.33 0.00 0.00 58.87 57.77 1j3x n SER 34 Cb 0.72 1.18 0.02 0.00 -0.75 0.00 0.00 64.21 65.38 1j3x n SER 34 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j3x n SER 35 N -2.49 -3.82 -3.60 -3.46 3.41 -1.26 -4.80 113.62 97.59 1j3x n SER 35 Ca -0.03 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.33 1j3x n SER 35 Cb 0.59 -3.72 -0.05 0.00 -0.26 0.00 0.00 64.21 60.78 1j3x n SER 35 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1j3x n VAL 36 N -4.57 2.09 -0.20 -3.33 3.14 -1.26 -4.89 118.33 109.31 1j3x n VAL 36 Ca -0.02 -1.77 -0.23 0.00 -2.96 0.00 0.00 64.34 59.35 1j3x n VAL 36 Cb 0.55 -2.35 0.22 0.00 -1.06 0.00 0.00 33.84 31.21 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 7.02 -3.66 -0.13 6.55 3.02 -1.26 -4.64 115.26 122.16 1j3x n ASN 37 Ca 0.50 -0.66 -0.11 0.00 -0.03 0.00 0.00 54.58 54.27 1j3x n ASN 37 Cb 0.38 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 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 -3.25 0.85 -0.23 3.10 0.04 -1.98 -2.46 116.94 113.01 1j3x h PHE 38 Ca -0.30 -0.18 -0.16 0.00 2.80 0.00 0.00 57.97 60.13 1j3x h PHE 38 Cb 1.01 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1j3x h PHE 38 CO 0.00 0.89 -0.47 0.00 -0.60 0.00 0.00 178.31 178.13 1j3x h ALA 39 N 0.84 0.36 0.00 2.45 0.00 -1.96 1.44 119.26 122.39 1j3x h ALA 39 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1j3x h ALA 39 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j3x h ALA 39 CO 0.04 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.73 1j3x h GLU 40 N 0.44 0.00 0.00 0.00 3.07 -1.88 -2.67 114.58 113.54 1j3x h GLU 40 Ca 0.01 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1j3x h GLU 40 Cb 1.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1j3x h GLU 40 CO 0.10 0.00 -1.51 0.34 -1.40 0.00 0.00 179.01 176.55 1j3x n PHE 41 N -2.42 0.00 0.24 4.33 7.35 -0.93 -4.50 117.46 121.53 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 -0.33 0.88 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 0.81 -2.13 4.64 0.20 0.17 113.55 117.05 1j3x h SER 42 Ca -0.22 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.93 1j3x h SER 42 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1j3x h SER 42 CO -0.10 0.00 -0.81 0.11 -0.87 0.00 0.00 176.83 175.16 1j3x h LYS 43 N 0.00 0.00 0.13 4.77 1.57 -1.65 -2.88 116.57 118.52 1j3x h LYS 43 Ca 0.07 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.57 1j3x h LYS 43 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1j3x h LYS 43 CO -0.00 0.81 -1.41 -0.22 -0.57 0.00 0.00 179.45 178.06 1j3x h LYS 44 N 0.00 0.28 0.00 3.15 3.11 -0.96 -3.28 116.57 118.87 1j3x h LYS 44 Ca -0.01 -0.48 -0.01 0.00 -2.81 0.00 0.00 60.65 57.34 1j3x h LYS 44 Cb 1.44 0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 32.84 1j3x h LYS 44 CO 0.11 1.23 -0.06 0.00 -2.81 0.00 0.00 179.45 177.91 1j3x h SER 46 N 0.00 0.45 0.14 0.00 4.64 -1.61 0.26 113.55 117.42 1j3x h SER 46 Ca -0.00 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1j3x h SER 46 Cb 0.12 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1j3x h SER 46 CO 0.01 0.85 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.38 1j3x h GLU 47 N 0.34 0.00 0.09 4.77 4.39 -1.34 -0.46 114.58 122.36 1j3x h GLU 47 Ca 0.02 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.35 1j3x h GLU 47 Cb 0.94 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1j3x h GLU 47 CO 0.08 0.11 -2.12 -2.13 -1.16 0.00 0.00 179.01 173.79 1j3x n ARG 48 N -4.20 0.72 -0.14 2.33 0.63 -1.05 -3.56 116.66 111.40 1j3x n ARG 48 Ca -0.03 0.24 -0.08 0.00 -0.92 0.00 0.00 57.85 57.06 1j3x n ARG 48 Cb 0.19 -1.66 -0.00 0.00 0.45 0.00 0.00 32.46 31.44 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 0.01 0.58 0.00 -0.14 2.91 -0.79 0.87 115.95 119.38 1j3x h TRP 49 Ca -0.47 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.48 1j3x h TRP 49 Cb 1.97 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 30.43 1j3x h TRP 49 CO 0.06 0.46 -0.26 0.87 -1.03 0.00 0.00 178.44 178.54 1j3x h LYS 50 N 0.53 0.00 -0.22 2.65 1.57 -1.27 -2.69 116.57 117.14 1j3x h LYS 50 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1j3x h LYS 50 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1j3x h LYS 50 CO -0.02 0.26 0.00 0.25 -0.57 0.00 0.00 179.45 179.37 1j3x n THR 51 N -3.83 0.33 -2.22 -0.16 -2.24 -0.87 -4.98 114.28 100.30 1j3x n THR 51 Ca -0.02 -0.66 -0.40 0.00 -2.27 0.00 0.00 64.05 60.70 1j3x n THR 51 Cb 0.35 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 1j3x n THR 51 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1j3x s MET 52 N -1.44 4.26 0.66 -0.78 -1.94 0.30 -4.98 119.30 115.36 1j3x s MET 52 Ca 0.29 2.03 -0.16 0.00 -1.71 0.00 0.00 55.69 56.13 1j3x s MET 52 Cb 0.18 -2.93 -0.00 0.00 2.01 0.00 0.00 34.83 34.09 1j3x s MET 52 CO 0.26 -0.20 1.16 -1.12 -0.01 0.00 0.00 175.02 175.10 1j3x s SER 53 N -0.78 4.91 0.54 3.03 0.01 -1.26 -4.79 113.70 115.36 1j3x s SER 53 Ca 0.52 2.20 0.22 0.00 1.31 0.00 0.00 55.95 60.20 1j3x s SER 53 Cb -0.35 -2.58 1.48 0.00 0.21 0.00 0.00 66.02 64.78 1j3x s SER 53 CO 0.46 -1.77 2.18 0.00 0.41 0.00 0.00 173.24 174.52 1j3x h ALA 54 N 0.23 1.76 0.00 1.44 0.00 -1.99 -0.95 119.26 119.75 1j3x h ALA 54 Ca -0.48 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1j3x h ALA 54 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1j3x h ALA 54 CO 0.53 0.02 -0.57 0.87 0.00 0.00 0.00 179.25 180.10 1j3x h LYS 55 N 0.00 0.00 0.00 0.00 1.79 -2.00 -2.57 116.57 113.78 1j3x h LYS 55 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1j3x h LYS 55 Cb 0.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1j3x h LYS 55 CO 0.00 0.57 -0.16 0.93 -1.08 0.00 0.00 179.45 179.71 1j3x h GLU 56 N 0.00 0.00 0.00 3.15 5.08 -1.56 -3.31 114.58 117.95 1j3x h GLU 56 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j3x h GLU 56 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1j3x h GLU 56 CO 0.07 0.76 0.00 1.57 -1.00 0.00 0.00 179.01 180.41 1j3x h LYS 57 N -1.00 0.00 -0.30 2.33 2.10 -1.45 -2.53 116.57 115.73 1j3x h LYS 57 Ca -0.04 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.70 1j3x h LYS 57 Cb 0.81 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1j3x h LYS 57 CO -0.02 0.00 0.28 0.66 -2.00 0.00 0.00 179.45 178.36 1j3x h SER 58 N 0.00 0.00 0.83 7.07 4.64 -1.54 0.12 113.55 124.67 1j3x h SER 58 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1j3x h SER 58 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1j3x h SER 58 CO 0.00 0.00 -0.74 0.50 -0.87 0.00 0.00 176.83 175.72 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.66 -2.46 116.57 120.86 1j3x h LYS 59 Ca 0.14 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.29 1j3x h LYS 59 Cb 0.69 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1j3x h LYS 59 CO -0.00 0.74 -1.31 0.74 -2.27 0.00 0.00 179.45 177.35 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.01 -3.10 116.94 114.78 1j3x h PHE 60 Ca -0.01 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1j3x h PHE 60 Cb 1.36 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.48 1j3x h PHE 60 CO 0.00 0.95 -0.80 1.49 -0.60 0.00 0.00 178.31 179.35 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.81 -1.13 -2.63 114.58 117.14 1j3x h GLU 61 Ca -0.14 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.91 1j3x h GLU 61 Cb 1.85 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.20 1j3x h GLU 61 CO 0.10 0.80 -0.88 0.22 -0.73 0.00 0.00 179.01 178.52 1j3x h ASP 62 N 0.00 0.00 0.93 1.04 3.58 -1.54 -2.78 116.42 117.66 1j3x h ASP 62 Ca -0.01 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 1j3x h ASP 62 Cb 1.45 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.47 1j3x h ASP 62 CO 0.10 0.88 -0.96 0.24 -2.88 0.00 0.00 179.24 176.63 1j3x h MET 63 N 0.00 0.01 0.00 0.28 2.86 -1.54 -3.07 114.93 113.47 1j3x h MET 63 Ca -0.01 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.42 1j3x h MET 63 Cb 1.64 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.28 1j3x h MET 63 CO 0.11 0.96 -0.91 0.00 1.06 0.00 0.00 176.91 178.13 1j3x h ALA 64 N 1.03 0.48 0.00 6.32 0.00 -1.51 -3.23 119.26 122.36 1j3x h ALA 64 Ca -0.01 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 1j3x h ALA 64 Cb 1.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1j3x h ALA 64 CO 0.13 1.14 -0.65 -0.22 0.00 0.00 0.00 179.25 179.64 1j3x h LYS 65 N 0.00 0.00 -0.48 0.00 3.11 -1.53 -2.17 116.57 115.50 1j3x h LYS 65 Ca -0.01 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 1j3x h LYS 65 Cb 1.63 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.83 1j3x h LYS 65 CO 0.12 0.65 0.15 1.03 -2.81 0.00 0.00 179.45 178.58 1j3x h SER 66 N 0.00 0.65 0.69 4.20 0.87 -1.55 -0.70 113.55 117.72 1j3x h SER 66 Ca -0.01 -0.09 -0.26 0.00 -1.23 0.00 0.00 61.79 60.20 1j3x h SER 66 Cb 1.16 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.92 1j3x h SER 66 CO 0.08 0.62 -1.39 0.44 -0.53 0.00 0.00 176.83 176.06 1j3x h ASP 67 N 0.69 0.06 0.21 6.23 3.32 -1.63 -2.83 116.42 122.47 1j3x h ASP 67 Ca 0.16 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1j3x h ASP 67 Cb 0.21 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1j3x h ASP 67 CO -0.01 1.07 -0.49 0.50 -1.72 0.00 0.00 179.24 178.60 1j3x h LYS 68 N 0.01 0.33 0.00 3.56 3.11 -1.08 -2.73 116.57 119.77 1j3x h LYS 68 Ca -0.17 -0.19 -0.23 0.00 -2.81 0.00 0.00 60.65 57.26 1j3x h LYS 68 Cb 1.91 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 33.12 1j3x h LYS 68 CO 0.11 0.75 -1.19 0.00 -2.81 0.00 0.00 179.45 176.32 1j3x h ALA 69 N 1.22 0.50 0.00 5.00 0.00 -1.24 -3.29 119.26 121.46 1j3x h ALA 69 Ca 0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 54.91 53.80 1j3x h ALA 69 Cb 0.96 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1j3x h ALA 69 CO 0.08 1.30 -0.40 -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 2.43 -1.41 -2.79 114.38 112.60 1j3x h ARG 70 Ca -0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1j3x h ARG 70 Cb 1.81 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1j3x h ARG 70 CO 0.11 0.40 -0.05 -0.92 -1.51 0.00 0.00 179.97 178.00 1j3x h TYR 71 N 0.00 0.00 -0.85 2.20 3.20 -1.55 -1.83 116.97 118.15 1j3x h TYR 71 Ca -0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1j3x h TYR 71 Cb 0.79 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 38.81 1j3x h TYR 71 CO 0.00 0.05 0.70 -3.47 -1.64 0.00 0.00 178.16 173.80 1j3x n ASP 72 N -4.42 6.42 0.20 -2.11 -0.08 -1.05 -3.91 116.55 111.59 1j3x n ASP 72 Ca -0.03 -3.52 0.00 0.00 -1.51 0.00 0.00 54.79 49.73 1j3x n ASP 72 Cb 0.13 -0.95 0.00 0.00 2.34 0.00 0.00 41.12 42.65 1j3x n ASP 72 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1j3x n ARG 73 N -0.63 0.00 0.07 -0.67 1.74 -0.74 -4.81 116.66 111.62 1j3x n ARG 73 Ca 0.53 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.58 1j3x n ARG 73 Cb 0.85 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.49 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 0.00 0.31 0.00 5.56 4.57 -1.63 -2.94 114.58 120.45 1j3x h GLU 74 Ca 0.00 -0.15 -0.17 0.00 -1.18 0.00 0.00 59.36 57.86 1j3x h GLU 74 Cb 0.00 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1j3x h GLU 74 CO 0.00 0.67 -0.81 1.98 -1.18 0.00 0.00 179.01 179.67 1j3x h MET 75 N 0.26 0.02 -7.38 1.92 4.05 -1.74 -3.45 114.93 108.61 1j3x h MET 75 Ca 0.02 -0.02 -0.46 0.00 -0.28 0.00 0.00 59.70 58.96 1j3x h MET 75 Cb 0.83 0.01 0.11 0.00 -0.80 0.00 0.00 31.60 31.74 1j3x h MET 75 CO 0.07 0.82 0.23 0.15 0.23 0.00 0.00 176.91 178.40 1j3x s LYS 76 N -3.19 1.38 0.00 0.39 -0.14 -1.11 -5.03 119.74 112.04 1j3x s LYS 76 Ca -0.00 -0.78 0.26 0.00 -1.36 0.00 0.00 55.97 54.09 1j3x s LYS 76 Cb 0.11 -2.15 0.63 0.00 -1.68 0.00 0.00 37.83 34.75 1j3x s LYS 76 CO 0.79 -1.75 1.51 -1.71 -0.76 0.00 0.00 175.35 173.43