#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7h n MET 2 N 0.00 0.24 -2.16 0.03 -0.00 -1.26 -5.11 117.12 108.85 1j7h n MET 2 Ca 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 57.70 57.03 1j7h n MET 2 Cb 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 33.22 33.94 1j7h n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1j7h n THR 3 N -0.15-12.87 -3.64 3.17 -1.04 -1.20 -5.05 114.28 93.50 1j7h n THR 3 Ca -0.01 3.09 -0.08 0.00 -2.04 0.00 0.00 64.05 65.01 1j7h n THR 3 Cb 0.16 -5.72 -0.07 0.00 -1.82 0.00 0.00 70.33 62.87 1j7h n THR 3 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1j7h s GLN 4 N -0.74 0.68 0.69 -2.82 0.74 -0.86 -4.99 119.66 112.37 1j7h s GLN 4 Ca 0.00 1.06 -0.17 0.00 0.05 0.00 0.00 55.36 56.30 1j7h s GLN 4 Cb 0.00 0.20 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 1j7h s GLN 4 CO 0.00 -0.12 0.89 -0.89 -0.55 0.00 0.00 175.29 174.62 1j7h n ILE 5 N 3.72 2.92 -4.12 -2.34 -0.00 -1.26 -1.46 119.36 116.83 1j7h n ILE 5 Ca -0.18 -0.41 -0.36 0.00 -0.00 0.00 0.00 62.75 61.80 1j7h n ILE 5 Cb 0.58 -1.05 -0.08 0.00 -0.00 0.00 0.00 39.64 39.09 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1j7h s ILE 6 N -1.75 4.91 -0.12 1.39 1.01 0.28 -4.77 121.20 122.15 1j7h s ILE 6 Ca 0.73 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.33 1j7h s ILE 6 Cb -0.36 -3.11 0.06 0.00 0.01 0.00 0.00 42.46 39.05 1j7h s ILE 6 CO 0.50 0.60 0.17 -1.00 0.00 0.00 0.00 174.94 175.22 1j7h s HIS 7 N -0.86 -0.18 0.21 3.97 3.76 -1.26 -3.70 115.29 117.22 1j7h s HIS 7 Ca 0.13 0.47 0.02 0.00 -0.15 0.00 0.00 55.06 55.53 1j7h s HIS 7 Cb -0.12 -0.31 -0.05 0.00 1.11 0.00 0.00 32.58 33.21 1j7h s HIS 7 CO 0.03 -0.36 0.02 -0.08 -0.85 0.00 0.00 174.74 173.50 1j7h s THR 8 N 2.29 0.73 -0.37 1.30 -1.32 -1.26 -5.04 115.64 111.97 1j7h s THR 8 Ca 0.04 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.58 1j7h s THR 8 Cb -0.13 -2.29 0.60 0.00 -1.51 0.00 0.00 72.50 69.16 1j7h s THR 8 CO -0.07 -0.33 1.67 1.21 -2.21 0.00 0.00 174.62 174.89 1j7h n GLU 9 N -0.34 2.84 0.00 7.08 2.13 -1.26 -4.13 120.64 126.97 1j7h n GLU 9 Ca -0.05 -2.52 0.00 0.00 0.66 0.00 0.00 57.16 55.26 1j7h n GLU 9 Cb 0.64 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.32 1j7h n GLU 9 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1j7h n LYS 10 N -0.35 1.14 -0.99 5.31 4.76 -1.26 -4.99 118.16 121.78 1j7h n LYS 10 Ca 0.40 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.55 1j7h n LYS 10 Cb 1.31 -0.96 0.21 0.00 -1.84 0.00 0.00 35.03 33.75 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j7h s ALA 11 N -1.92 0.46 0.02 7.82 0.00 -1.26 -4.62 121.76 122.26 1j7h s ALA 11 Ca 0.00 -0.49 0.26 0.00 0.00 0.00 0.00 51.96 51.73 1j7h s ALA 11 Cb 0.00 -3.08 1.44 0.00 0.00 0.00 0.00 23.12 21.48 1j7h s ALA 11 CO 0.00 -3.32 1.80 -1.00 0.00 0.00 0.00 175.76 173.24 1j7h h PRO 12 N -2.29 0.00 -0.53 0.00 0.13 -1.86 -3.42 132.00 124.03 1j7h h PRO 12 Ca -0.54 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1j7h h PRO 12 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1j7h h PRO 12 CO 0.50 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.13 1j7h n ALA 13 N -1.83 -0.68 -2.94 -0.56 0.00 -1.26 -4.86 120.51 108.38 1j7h n ALA 13 Ca -0.02 0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1j7h n ALA 13 Cb 0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 1j7h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j7h s ALA 14 N -4.05 3.26 -0.02 0.00 0.00 -1.26 -4.89 121.76 114.80 1j7h s ALA 14 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1j7h s ALA 14 Cb 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 21.02 1j7h s ALA 14 CO 0.00 -0.45 0.88 -0.89 0.00 0.00 0.00 175.76 175.30 1j7h n ILE 15 N 4.85 0.49 -1.21 0.00 2.08 -1.26 -5.05 119.36 119.27 1j7h n ILE 15 Ca -0.16 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.59 1j7h n ILE 15 Cb 0.52 0.51 0.00 0.00 -0.75 0.00 0.00 39.64 39.91 1j7h n ILE 15 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j7h n GLY 16 N -0.34 5.46 2.05 7.39 0.00 -1.26 -5.03 105.19 113.47 1j7h n GLY 16 Ca 0.03 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1j7h n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j7h n PRO 17 N 0.00 1.92 -3.50 1.61 -0.04 -1.26 -4.85 135.00 128.87 1j7h n PRO 17 Ca 0.00 -1.54 -0.13 0.00 -0.04 0.00 0.00 63.50 61.79 1j7h n PRO 17 Cb 0.00 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 1j7h n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j7h s TYR 18 N -1.17 -0.51 0.40 0.54 1.13 -1.26 -5.18 117.35 111.30 1j7h s TYR 18 Ca 0.41 0.64 0.08 0.00 -1.41 0.00 0.00 57.07 56.79 1j7h s TYR 18 Cb 0.27 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.57 1j7h s TYR 18 CO -0.07 -0.61 0.25 0.14 -2.51 0.00 0.00 175.55 172.75 1j7h s VAL 19 N -2.22 2.55 0.09 -3.49 -7.23 -1.26 -4.48 120.40 104.36 1j7h s VAL 19 Ca -0.03 -1.56 -0.28 0.00 -1.81 0.00 0.00 61.98 58.30 1j7h s VAL 19 Cb -0.01 -3.00 -0.15 0.00 0.56 0.00 0.00 36.38 33.79 1j7h s VAL 19 CO -0.01 -0.03 1.67 1.56 -0.31 0.00 0.00 175.10 177.98 1j7h h GLN 20 N 1.30 -0.44 0.00 4.82 4.20 -1.91 -3.43 115.11 119.65 1j7h h GLN 20 Ca -0.42 0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.46 1j7h h GLN 20 Cb 1.26 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.11 1j7h h GLN 20 CO 0.64 -0.29 0.48 0.00 -0.67 0.00 0.00 178.83 178.99 1j7h n ALA 21 N -2.36 -2.10 -3.55 3.87 0.00 -1.24 -2.49 120.51 112.64 1j7h n ALA 21 Ca -0.09 -0.70 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 1j7h n ALA 21 Cb 0.22 0.33 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 1j7h n ALA 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1j7h s VAL 22 N -2.17 -0.04 -0.44 0.00 -7.23 -0.77 0.10 120.40 109.85 1j7h s VAL 22 Ca 0.18 0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 60.37 1j7h s VAL 22 Cb -0.02 -0.17 0.08 0.00 0.56 0.00 0.00 36.38 36.83 1j7h s VAL 22 CO 0.03 0.06 0.33 -0.62 -0.31 0.00 0.00 175.10 174.58 1j7h s ASP 23 N 0.86 5.88 0.27 4.85 2.15 -0.53 -2.32 116.67 127.83 1j7h s ASP 23 Ca -0.07 -1.42 0.25 0.00 0.43 0.00 0.00 52.55 51.74 1j7h s ASP 23 Cb -0.09 -2.08 0.64 0.00 -0.30 0.00 0.00 42.92 41.09 1j7h s ASP 23 CO -0.04 -0.59 1.70 -0.07 -0.17 0.00 0.00 175.17 176.00 1j7h h LEU 24 N 8.57 0.00 0.00 -1.34 3.38 -1.77 -2.27 115.31 121.87 1j7h h LEU 24 Ca -0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1j7h h LEU 24 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1j7h h LEU 24 CO 0.82 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1j7h n GLY 25 N 1.25 1.44 0.41 0.83 0.00 -1.26 -3.95 105.19 103.91 1j7h n GLY 25 Ca 0.05 -0.91 0.23 0.00 0.00 0.00 0.00 46.02 45.39 1j7h n GLY 25 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j7h h ASN 26 N 0.00 0.00 -3.99 1.61 4.21 -1.82 -3.41 115.58 112.18 1j7h h ASN 26 Ca 0.00 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.17 1j7h h ASN 26 Cb 0.00 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 36.92 1j7h h ASN 26 CO 0.00 0.00 -0.76 -0.22 -1.29 0.00 0.00 177.43 175.16 1j7h s LEU 27 N -8.55 2.03 0.29 1.61 0.20 -1.26 0.11 118.68 113.10 1j7h s LEU 27 Ca -0.05 -0.14 0.12 0.00 0.69 0.00 0.00 54.13 54.74 1j7h s LEU 27 Cb 0.20 -0.31 -0.05 0.00 -0.43 0.00 0.00 46.19 45.59 1j7h s LEU 27 CO 0.73 0.06 -0.18 0.54 -0.29 0.00 0.00 176.35 177.21 1j7h s VAL 28 N -0.23 2.43 -0.10 1.68 0.11 0.13 -2.39 120.40 122.04 1j7h s VAL 28 Ca 0.02 -2.37 -0.05 0.00 -2.93 0.00 0.00 61.98 56.65 1j7h s VAL 28 Cb -0.03 -2.36 0.05 0.00 -1.53 0.00 0.00 36.38 32.51 1j7h s VAL 28 CO -0.00 -0.37 0.23 -0.76 -3.33 0.00 0.00 175.10 170.87 1j7h s LEU 29 N -3.53 0.29 -0.12 2.54 1.02 -0.98 -1.93 118.68 115.97 1j7h s LEU 29 Ca 0.30 0.49 -0.03 0.00 0.02 0.00 0.00 54.13 54.91 1j7h s LEU 29 Cb -0.04 0.63 -0.03 0.00 0.02 0.00 0.00 46.19 46.77 1j7h s LEU 29 CO 0.15 -0.18 0.01 0.42 0.02 0.00 0.00 176.35 176.77 1j7h s THR 30 N 1.54 4.36 1.44 5.49 -4.23 0.28 -1.84 115.64 122.68 1j7h s THR 30 Ca -0.06 -0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.00 1j7h s THR 30 Cb -0.11 -2.88 0.37 0.00 1.34 0.00 0.00 72.50 71.22 1j7h s THR 30 CO -0.08 0.56 0.86 -0.24 -0.54 0.00 0.00 174.62 175.18 1j7h n SER 31 N 2.67 -3.98 -4.55 3.99 2.88 -1.04 -3.45 113.62 110.14 1j7h n SER 31 Ca -0.18 -0.80 -0.33 0.00 -1.33 0.00 0.00 58.87 56.23 1j7h n SER 31 Cb 0.53 -1.01 -0.04 0.00 -0.75 0.00 0.00 64.21 62.94 1j7h n SER 31 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1j7h s GLY 32 N -2.98 0.13 0.33 0.46 0.00 -1.26 -4.39 107.32 99.61 1j7h s GLY 32 Ca 0.66 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 44.11 1j7h s GLY 32 CO 0.56 3.51 1.48 1.20 0.00 0.00 0.00 173.10 179.85 1j7h s GLN 33 N 7.14 4.17 0.23 2.90 1.11 0.19 -4.68 119.66 130.71 1j7h s GLN 33 Ca 0.70 2.49 -0.07 0.00 0.01 0.00 0.00 55.36 58.49 1j7h s GLN 33 Cb -0.10 -3.01 -0.02 0.00 -1.01 0.00 0.00 33.01 28.86 1j7h s GLN 33 CO 0.12 -0.49 0.31 0.96 0.01 0.00 0.00 175.29 176.19 1j7h s ILE 34 N -0.70 0.00 0.00 1.08 -4.36 -1.26 -1.41 121.20 114.55 1j7h s ILE 34 Ca 0.56 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1j7h s ILE 34 Cb -0.45 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 40.90 1j7h s ILE 34 CO 0.55 0.00 0.00 -2.65 0.24 0.00 0.00 174.94 173.08 1j7h n PRO 35 N -0.33 2.32 -1.94 0.37 -0.02 -1.26 -4.80 135.00 129.34 1j7h n PRO 35 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1j7h n PRO 35 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.12 1j7h n PRO 35 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1j7h n VAL 36 N 0.00 -4.05 -1.14 -1.45 0.31 -1.26 -4.78 118.33 105.95 1j7h n VAL 36 Ca 0.00 0.05 -0.48 0.00 -0.01 0.00 0.00 64.34 63.90 1j7h n VAL 36 Cb 0.00 -4.68 -0.08 0.00 -0.91 0.00 0.00 33.84 28.17 1j7h n VAL 36 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1j7h n ASN 37 N -0.95 0.75 0.12 4.52 2.85 -1.26 -4.42 115.26 116.88 1j7h n ASN 37 Ca 0.01 0.72 0.07 0.00 -0.11 0.00 0.00 54.58 55.27 1j7h n ASN 37 Cb 0.37 -0.66 0.38 0.00 1.24 0.00 0.00 39.78 41.10 1j7h n ASN 37 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1j7h n PRO 38 N 4.13 0.09 0.07 1.20 -0.02 -1.26 0.22 135.00 139.43 1j7h n PRO 38 Ca 0.31 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 62.34 1j7h n PRO 38 Cb -0.04 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1j7h n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h h ALA 39 N 1.66 0.61 0.00 3.55 0.00 -1.93 -3.45 119.26 119.71 1j7h h ALA 39 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1j7h h ALA 39 Cb 0.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j7h h ALA 39 CO 0.00 0.95 0.00 -2.37 0.00 0.00 0.00 179.25 177.83 1j7h n THR 40 N -3.12 0.00 -0.23 0.00 5.66 0.49 -5.08 114.28 112.00 1j7h n THR 40 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1j7h n THR 40 Cb 0.85 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 1j7h n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j7h n GLY 41 N -0.78 0.75 0.07 1.09 0.00 0.60 -4.87 105.19 102.05 1j7h n GLY 41 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1j7h n GLY 41 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j7h h GLU 42 N 0.00 0.00 -4.30 1.61 5.08 -1.85 -3.42 114.58 111.70 1j7h h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j7h h GLU 42 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1j7h h GLU 42 CO 0.00 0.66 -0.07 0.28 -1.00 0.00 0.00 179.01 178.88 1j7h n VAL 43 N -4.62 -6.32 -1.91 3.13 0.31 -1.26 -4.89 118.33 102.77 1j7h n VAL 43 Ca -0.11 0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.84 1j7h n VAL 43 Cb 0.38 -5.51 -0.00 0.00 -0.91 0.00 0.00 33.84 27.80 1j7h n VAL 43 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j7h s PRO 44 N -2.72 4.10 0.28 5.55 0.04 -1.26 -4.92 135.00 136.06 1j7h s PRO 44 Ca 0.03 2.41 0.08 0.00 0.04 0.00 0.00 61.00 63.56 1j7h s PRO 44 Cb -0.01 -2.93 0.39 0.00 0.04 0.00 0.00 34.50 31.99 1j7h s PRO 44 CO 0.42 -0.48 1.64 0.00 0.04 0.00 0.00 177.00 178.62 1j7h h ALA 45 N 2.96 1.01 -0.61 8.56 0.00 -2.00 -3.39 119.26 125.79 1j7h h ALA 45 Ca -0.50 -0.50 -0.22 0.00 0.00 0.00 0.00 54.91 53.69 1j7h h ALA 45 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1j7h h ALA 45 CO 0.64 0.68 0.90 -0.25 0.00 0.00 0.00 179.25 181.22 1j7h n ASP 46 N -3.91 1.35 -0.54 0.00 8.00 -1.26 -4.74 116.55 115.45 1j7h n ASP 46 Ca -0.02 -0.95 0.43 0.00 0.71 0.00 0.00 54.79 54.97 1j7h n ASP 46 Cb 0.56 -1.42 0.70 0.00 -0.02 0.00 0.00 41.12 40.94 1j7h n ASP 46 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1j7h n ILE 47 N 8.00 -0.15 -0.03 0.53 2.08 -1.26 0.11 119.36 128.64 1j7h n ILE 47 Ca 0.49 1.61 -0.15 0.00 0.56 0.00 0.00 62.75 65.26 1j7h n ILE 47 Cb 0.39 -2.65 -0.11 0.00 -0.75 0.00 0.00 39.64 36.51 1j7h n ILE 47 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1j7h h VAL 48 N 0.00 1.54 0.49 1.39 2.07 -1.95 -1.60 116.25 118.20 1j7h h VAL 48 Ca 0.86 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1j7h h VAL 48 Cb 3.05 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 35.53 1j7h h VAL 48 CO -0.28 0.50 -0.24 0.00 0.02 0.00 0.00 177.57 177.57 1j7h h ALA 49 N 0.29 -0.66 0.00 1.67 0.00 0.45 -0.25 119.26 120.76 1j7h h ALA 49 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1j7h h ALA 49 Cb 0.92 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1j7h h ALA 49 CO 0.04 -0.85 -0.04 -0.56 0.00 0.00 0.00 179.25 177.84 1j7h h GLN 50 N -0.70 0.00 -0.14 0.00 3.07 -0.90 -1.93 115.11 114.51 1j7h h GLN 50 Ca -0.07 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.56 1j7h h GLN 50 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 1j7h h GLN 50 CO 0.11 0.04 -0.35 0.00 0.09 0.00 0.00 178.83 178.72 1j7h h ALA 51 N 1.96 0.23 0.13 0.06 0.00 -0.67 -0.73 119.26 120.25 1j7h h ALA 51 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1j7h h ALA 51 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j7h h ALA 51 CO 0.00 0.30 -0.06 -0.09 0.00 0.00 0.00 179.25 179.40 1j7h h ARG 52 N 0.10 -0.17 -0.10 0.00 2.43 -0.40 -0.10 114.38 116.14 1j7h h ARG 52 Ca -0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1j7h h ARG 52 Cb 0.96 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1j7h h ARG 52 CO 0.08 0.03 -0.08 1.96 -1.51 0.00 0.00 179.97 180.44 1j7h h GLN 53 N -0.34 0.14 -0.17 0.20 4.20 -1.45 -1.76 115.11 115.93 1j7h h GLN 53 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1j7h h GLN 53 Cb 0.28 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1j7h h GLN 53 CO 0.03 0.24 -0.08 0.77 -0.67 0.00 0.00 178.83 179.12 1j7h h SER 54 N 0.14 0.36 0.36 1.46 0.02 -0.77 -2.66 113.55 112.46 1j7h h SER 54 Ca 0.03 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1j7h h SER 54 Cb 0.24 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1j7h h SER 54 CO 0.01 0.69 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.16 1j7h h LEU 55 N 0.03 0.00 0.44 5.07 3.38 -0.61 -2.80 115.31 120.83 1j7h h LEU 55 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1j7h h LEU 55 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1j7h h LEU 55 CO 0.02 0.17 -0.21 -0.08 0.09 0.00 0.00 178.44 178.43 1j7h h GLU 56 N 0.00 -0.57 -0.53 1.13 4.81 -1.14 -3.12 114.58 115.16 1j7h h GLU 56 Ca -0.00 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.41 1j7h h GLU 56 Cb 0.39 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1j7h h GLU 56 CO 0.02 -0.28 0.38 -2.95 -0.73 0.00 0.00 179.01 175.45 1j7h h ASN 57 N -1.05 0.03 -0.34 1.04 -1.07 -1.43 0.17 115.58 112.94 1j7h h ASN 57 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.29 1j7h h ASN 57 Cb 0.54 -0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 36.77 1j7h h ASN 57 CO 0.10 0.02 0.14 0.58 0.07 0.00 0.00 177.43 178.34 1j7h h VAL 58 N 0.04 1.16 0.04 6.14 2.07 -1.46 -2.19 116.25 122.05 1j7h h VAL 58 Ca 0.25 -0.52 -0.24 0.00 0.82 0.00 0.00 66.70 67.02 1j7h h VAL 58 Cb 0.96 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1j7h h VAL 58 CO -0.01 0.20 -1.15 0.50 0.02 0.00 0.00 177.57 177.12 1j7h h LYS 59 N 0.56 0.09 -0.74 1.57 3.64 -0.63 -3.12 116.57 117.94 1j7h h LYS 59 Ca 0.14 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1j7h h LYS 59 Cb 0.14 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1j7h h LYS 59 CO -0.01 1.03 0.35 0.00 -2.27 0.00 0.00 179.45 178.55 1j7h h ALA 60 N 0.85 1.22 -0.12 5.00 0.00 -0.76 0.80 119.26 126.24 1j7h h ALA 60 Ca -0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1j7h h ALA 60 Cb 1.86 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1j7h h ALA 60 CO 0.15 0.59 -0.19 0.82 0.00 0.00 0.00 179.25 180.62 1j7h h ILE 61 N 1.05 1.37 -0.10 0.00 2.04 -1.49 0.18 117.51 120.56 1j7h h ILE 61 Ca 0.26 -1.44 -0.12 0.00 1.00 0.00 0.00 64.86 64.56 1j7h h ILE 61 Cb 0.12 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1j7h h ILE 61 CO -0.03 0.42 -0.46 0.40 0.00 0.00 0.00 178.15 178.47 1j7h h ILE 62 N -0.07 1.33 -0.03 -0.67 2.04 -1.44 -2.78 117.51 115.88 1j7h h ILE 62 Ca 0.01 -1.65 -0.24 0.00 1.00 0.00 0.00 64.86 63.98 1j7h h ILE 62 Cb 0.76 1.77 0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1j7h h ILE 62 CO 0.04 0.49 -0.95 -0.33 0.00 0.00 0.00 178.15 177.41 1j7h h GLU 63 N 0.20 0.62 0.00 2.37 4.39 0.64 -1.87 114.58 120.93 1j7h h GLU 63 Ca 0.01 -0.62 -0.00 0.00 0.34 0.00 0.00 59.36 59.09 1j7h h GLU 63 Cb 0.90 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1j7h h GLU 63 CO 0.07 1.23 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.91 1j7h h LYS 64 N 0.37 0.00 0.00 2.33 3.11 -0.51 -0.32 116.57 121.55 1j7h h LYS 64 Ca -0.09 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.68 1j7h h LYS 64 Cb 1.58 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.80 1j7h h LYS 64 CO 0.18 0.02 -1.21 0.00 -2.81 0.00 0.00 179.45 175.63 1j7h n ALA 65 N -2.28 2.32 -0.04 5.00 0.00 -1.06 -5.00 120.51 119.44 1j7h n ALA 65 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1j7h n ALA 65 Cb 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1j7h n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j7h n GLY 66 N 1.27 0.85 3.59 0.00 0.00 -0.13 -5.11 105.19 105.66 1j7h n GLY 66 Ca -0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1j7h n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j7h s LEU 67 N -0.07 -0.62 0.04 0.99 1.43 -0.76 -5.00 118.68 114.69 1j7h s LEU 67 Ca 0.00 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.40 1j7h s LEU 67 Cb 0.00 2.33 -0.05 0.00 0.03 0.00 0.00 46.19 48.50 1j7h s LEU 67 CO 0.00 -0.24 0.32 0.42 0.23 0.00 0.00 176.35 177.09 1j7h s THR 68 N 0.46 5.21 0.51 5.49 -4.23 -1.26 -3.91 115.64 117.91 1j7h s THR 68 Ca -0.01 0.27 0.35 0.00 -1.18 0.00 0.00 61.69 61.13 1j7h s THR 68 Cb -0.05 -3.60 0.55 0.00 1.34 0.00 0.00 72.50 70.74 1j7h s THR 68 CO -0.01 0.32 1.74 0.00 -0.54 0.00 0.00 174.62 176.14 1j7h h ALA 69 N 3.84 3.06 0.00 3.99 0.00 -1.94 0.83 119.26 129.03 1j7h h ALA 69 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j7h h ALA 69 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1j7h h ALA 69 CO 0.67 -1.48 0.01 0.00 0.00 0.00 0.00 179.25 178.45 1j7h h ALA 70 N 1.40 1.01 0.00 0.00 0.00 -1.76 0.77 119.26 120.69 1j7h h ALA 70 Ca 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 1j7h h ALA 70 Cb 2.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.21 1j7h h ALA 70 CO -0.10 -0.01 -0.95 0.38 0.00 0.00 0.00 179.25 178.57 1j7h h ASP 71 N 0.00 0.00 -1.88 0.00 2.03 0.35 -3.46 116.42 113.46 1j7h h ASP 71 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1j7h h ASP 71 Cb 0.02 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1j7h h ASP 71 CO 0.00 0.13 1.51 -0.38 -1.03 0.00 0.00 179.24 179.47 1j7h n ILE 72 N -2.78 0.29 0.11 4.15 5.41 0.26 -2.83 119.36 123.96 1j7h n ILE 72 Ca -0.01 -0.49 -0.19 0.00 1.00 0.00 0.00 62.75 63.06 1j7h n ILE 72 Cb 0.61 -2.53 -0.15 0.00 -0.71 0.00 0.00 39.64 36.86 1j7h n ILE 72 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1j7h h VAL 73 N 7.22 1.34 -2.92 1.39 -1.51 -1.60 -3.36 116.25 116.81 1j7h h VAL 73 Ca -0.38 -2.88 -0.51 0.00 -1.23 0.00 0.00 66.70 61.70 1j7h h VAL 73 Cb 1.25 2.93 -0.14 0.00 -2.13 0.00 0.00 31.29 33.21 1j7h h VAL 73 CO 0.98 0.85 -0.55 -0.54 -1.23 0.00 0.00 177.57 177.09 1j7h s LYS 74 N -2.63 1.79 0.00 5.19 1.02 -1.19 -0.05 119.74 123.87 1j7h s LYS 74 Ca -0.07 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 53.86 1j7h s LYS 74 Cb 0.06 -0.58 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1j7h s LYS 74 CO 0.90 -0.40 0.00 -2.37 -0.92 0.00 0.00 175.35 172.56 1j7h n THR 75 N -0.79 0.00 -2.22 2.17 5.66 -1.18 -2.34 114.28 115.57 1j7h n THR 75 Ca -0.04 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.54 1j7h n THR 75 Cb 0.65 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.40 1j7h n THR 75 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1j7h s THR 76 N 0.00 3.46 -0.56 1.09 2.01 -0.77 -4.35 115.64 116.51 1j7h s THR 76 Ca 0.00 1.05 -0.00 0.00 0.31 0.00 0.00 61.69 63.05 1j7h s THR 76 Cb 0.00 -3.67 0.14 0.00 0.01 0.00 0.00 72.50 68.98 1j7h s THR 76 CO 0.00 0.08 0.34 -0.69 -0.69 0.00 0.00 174.62 173.67 1j7h s VAL 77 N 1.07 3.24 0.10 3.82 1.01 -1.18 -1.73 120.40 126.73 1j7h s VAL 77 Ca 0.63 -2.97 -0.14 0.00 0.00 0.00 0.00 61.98 59.50 1j7h s VAL 77 Cb -0.35 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1j7h s VAL 77 CO 0.30 -0.82 0.49 -0.36 0.00 0.00 0.00 175.10 174.71 1j7h s PHE 78 N 0.01 3.64 0.02 5.22 0.08 -0.39 -1.37 117.98 125.19 1j7h s PHE 78 Ca 0.16 1.00 0.00 0.00 0.12 0.00 0.00 56.93 58.21 1j7h s PHE 78 Cb -0.22 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 1j7h s PHE 78 CO -0.03 0.50 -0.04 0.14 -0.10 0.00 0.00 175.22 175.70 1j7h s VAL 79 N -1.35 0.18 -1.88 -0.44 -7.23 0.06 -3.15 120.40 106.59 1j7h s VAL 79 Ca 0.33 -0.94 0.26 0.00 -1.81 0.00 0.00 61.98 59.83 1j7h s VAL 79 Cb -0.15 -0.32 0.29 0.00 0.56 0.00 0.00 36.38 36.75 1j7h s VAL 79 CO 0.18 -0.48 1.56 2.29 -0.31 0.00 0.00 175.10 178.34 1j7h n LYS 80 N 1.58 0.98 -3.15 4.82 -0.00 -1.19 -0.18 118.16 121.02 1j7h n LYS 80 Ca -0.24 -0.60 0.05 0.00 -0.00 0.00 0.00 58.31 57.52 1j7h n LYS 80 Cb 0.55 -1.49 -0.01 0.00 -0.00 0.00 0.00 35.03 34.08 1j7h n LYS 80 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1j7h s ASP 81 N -2.43 -0.78 0.49 -5.58 -1.08 -1.26 -4.92 116.67 101.11 1j7h s ASP 81 Ca 0.26 0.44 0.30 0.00 -0.52 0.00 0.00 52.55 53.03 1j7h s ASP 81 Cb 0.19 1.63 1.65 0.00 -1.46 0.00 0.00 42.92 44.93 1j7h s ASP 81 CO 0.50 -0.14 1.92 0.25 0.52 0.00 0.00 175.17 178.21 1j7h h LEU 82 N 7.95 0.00 -0.76 -1.34 6.46 -1.95 0.16 115.31 125.83 1j7h h LEU 82 Ca -0.16 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 1j7h h LEU 82 Cb 1.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 1j7h h LEU 82 CO 0.02 0.00 -0.32 0.78 -0.62 0.00 0.00 178.44 178.29 1j7h h ASN 83 N 0.00 0.00 1.42 1.25 -0.26 -2.00 -2.72 115.58 113.27 1j7h h ASN 83 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1j7h h ASN 83 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1j7h h ASN 83 CO 0.00 0.32 0.00 0.44 -1.06 0.00 0.00 177.43 177.13 1j7h h ASP 84 N 0.00 0.00 -0.13 5.81 3.32 -1.09 -3.23 116.42 121.09 1j7h h ASP 84 Ca -0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1j7h h ASP 84 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1j7h h ASP 84 CO 0.04 0.00 0.25 0.15 -1.72 0.00 0.00 179.24 177.97 1j7h h PHE 85 N 0.00 0.00 -0.41 4.55 3.57 -1.53 -1.42 116.94 121.71 1j7h h PHE 85 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1j7h h PHE 85 Cb 0.71 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1j7h h PHE 85 CO 0.00 0.00 0.20 0.00 -2.23 0.00 0.00 178.31 176.28 1j7h h ALA 86 N 1.62 0.50 0.05 2.41 0.00 -1.77 1.04 119.26 123.12 1j7h h ALA 86 Ca 0.06 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 1j7h h ALA 86 Cb 0.57 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1j7h h ALA 86 CO -0.00 -0.15 -1.60 0.00 0.00 0.00 0.00 179.25 177.49 1j7h h ALA 87 N 1.21 0.52 -0.01 0.00 0.00 -1.60 -3.04 119.26 116.34 1j7h h ALA 87 Ca 0.17 -1.28 -0.01 0.00 0.00 0.00 0.00 54.91 53.80 1j7h h ALA 87 Cb 0.08 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j7h h ALA 87 CO -0.12 1.37 -0.01 0.28 0.00 0.00 0.00 179.25 180.77 1j7h h VAL 88 N 0.03 1.40 -0.49 0.00 2.07 -1.16 -2.60 116.25 115.51 1j7h h VAL 88 Ca -0.26 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1j7h h VAL 88 Cb 1.99 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.91 1j7h h VAL 88 CO 0.11 0.31 0.14 -1.13 0.02 0.00 0.00 177.57 177.03 1j7h h ASN 89 N -0.46 0.67 -0.78 0.57 -0.73 0.97 1.15 115.58 116.96 1j7h h ASN 89 Ca 0.00 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1j7h h ASN 89 Cb 0.52 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.90 1j7h h ASN 89 CO 0.00 0.65 0.51 0.00 -0.37 0.00 0.00 177.43 178.22 1j7h h ALA 90 N 1.45 0.99 0.02 1.57 0.00 -1.49 -1.18 119.26 120.61 1j7h h ALA 90 Ca 0.16 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1j7h h ALA 90 Cb 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1j7h h ALA 90 CO -0.01 0.42 -1.57 1.49 0.00 0.00 0.00 179.25 179.59 1j7h h GLU 91 N 1.06 0.04 0.01 0.00 4.81 -1.05 -3.13 114.58 116.32 1j7h h GLU 91 Ca 0.29 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1j7h h GLU 91 Cb -0.10 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1j7h h GLU 91 CO -0.06 0.69 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.90 1j7h h TYR 92 N 0.01 -0.24 0.00 0.92 3.20 0.16 -0.89 116.97 120.13 1j7h h TYR 92 Ca -0.23 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.54 1j7h h TYR 92 Cb 1.97 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 40.33 1j7h h TYR 92 CO 0.01 -0.14 -0.49 1.49 -1.64 0.00 0.00 178.16 177.39 1j7h h GLU 93 N -0.16 0.00 0.00 1.82 4.81 -1.38 -3.07 114.58 116.60 1j7h h GLU 93 Ca 0.03 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1j7h h GLU 93 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1j7h h GLU 93 CO -0.09 0.49 -0.32 -0.09 -0.73 0.00 0.00 179.01 178.27 1j7h h ARG 94 N 0.00 0.00 0.19 1.92 9.65 -1.38 -3.13 114.38 121.63 1j7h h ARG 94 Ca -0.00 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.58 1j7h h ARG 94 Cb 1.04 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.66 1j7h h ARG 94 CO 0.06 0.32 -1.27 0.27 2.80 0.00 0.00 179.97 182.15 1j7h h PHE 95 N 0.00 0.91 -0.14 2.20 -5.15 -1.08 -2.89 116.94 110.78 1j7h h PHE 95 Ca -0.00 -0.63 0.03 0.00 -0.20 0.00 0.00 57.97 57.17 1j7h h PHE 95 Cb 0.87 -0.05 -0.03 0.00 0.22 0.00 0.00 35.95 36.96 1j7h h PHE 95 CO 0.00 1.48 -0.06 0.74 -2.00 0.00 0.00 178.31 178.47 1j7h h PHE 96 N 0.07 -0.15 0.00 6.09 0.04 -1.54 0.49 116.94 121.95 1j7h h PHE 96 Ca -0.21 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 1j7h h PHE 96 Cb 1.98 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 40.22 1j7h h PHE 96 CO 0.14 -0.10 -0.19 1.57 -0.60 0.00 0.00 178.31 179.12 1j7h h LYS 97 N -0.05 0.00 -0.00 1.51 5.09 -1.66 0.52 116.57 121.97 1j7h h LYS 97 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.82 1j7h h LYS 97 Cb 0.16 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.49 1j7h h LYS 97 CO -0.17 0.19 -0.09 0.39 -2.09 0.00 0.00 179.45 177.68 1j7h n GLU 98 N -4.14 0.82 0.00 0.07 -0.58 -0.24 -3.23 120.64 113.35 1j7h n GLU 98 Ca -0.02 -0.29 0.05 0.00 -0.42 0.00 0.00 57.16 56.48 1j7h n GLU 98 Cb 0.26 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1j7h n GLU 98 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1j7h n ASN 99 N -0.83 0.93 -0.02 1.62 5.15 0.16 -4.98 115.26 117.28 1j7h n ASN 99 Ca 0.16 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1j7h n ASN 99 Cb 0.27 0.69 0.00 0.00 -0.53 0.00 0.00 39.78 40.21 1j7h n ASN 99 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1j7h n ASN 100 N -0.65 -0.56 -3.41 1.20 3.02 -0.18 -4.34 115.26 110.32 1j7h n ASN 100 Ca 0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.32 1j7h n ASN 100 Cb 0.20 -0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 1j7h n ASN 100 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1j7h n HIS 101 N -2.44 2.04 0.83 3.10 -0.00 0.16 -4.31 115.22 114.60 1j7h n HIS 101 Ca 0.00 -3.93 0.13 0.00 0.46 0.00 0.00 57.72 54.37 1j7h n HIS 101 Cb 0.26 -0.44 0.53 0.00 -0.12 0.00 0.00 29.99 30.22 1j7h n HIS 101 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1j7h n PRO 102 N 1.32 0.05 0.10 1.57 -0.02 -1.26 -3.20 135.00 133.56 1j7h n PRO 102 Ca 0.26 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 1j7h n PRO 102 Cb 0.44 -1.57 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 1j7h n PRO 102 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1j7h h ASN 103 N 0.00 0.44 -3.99 2.55 -0.00 -1.95 -3.49 115.58 109.13 1j7h h ASN 103 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 56.30 55.86 1j7h h ASN 103 Cb 0.50 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.67 1j7h h ASN 103 CO 0.00 1.32 -0.45 0.49 -0.00 0.00 0.00 177.43 178.79 1j7h n PHE 104 N -3.58 -2.11 -2.11 0.67 3.72 -1.19 -5.00 117.46 107.86 1j7h n PHE 104 Ca -0.08 1.13 -0.28 0.00 -0.05 0.00 0.00 57.45 58.17 1j7h n PHE 104 Cb 0.98 -2.13 0.05 0.00 -0.94 0.00 0.00 39.48 37.44 1j7h n PHE 104 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j7h s PRO 105 N -4.81 2.71 -0.06 -1.08 0.05 -1.26 -4.99 135.00 125.57 1j7h s PRO 105 Ca 0.00 0.17 0.04 0.00 0.05 0.00 0.00 61.00 61.25 1j7h s PRO 105 Cb 0.00 -2.12 -0.02 0.00 0.05 0.00 0.00 34.50 32.40 1j7h s PRO 105 CO 0.00 -0.99 -0.16 0.00 0.05 0.00 0.00 177.00 175.89 1j7h s ALA 106 N -3.23 2.56 0.00 8.56 0.00 0.93 -4.79 121.76 125.78 1j7h s ALA 106 Ca 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1j7h s ALA 106 Cb -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1j7h s ALA 106 CO 0.48 0.49 0.00 -2.13 0.00 0.00 0.00 175.76 174.60 1j7h n ARG 107 N 2.57 0.00 -3.78 0.00 3.00 -1.26 -3.11 116.66 114.08 1j7h n ARG 107 Ca -0.17 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.31 1j7h n ARG 107 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.86 1j7h n ARG 107 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1j7h s SER 108 N 0.92 5.22 -0.16 6.15 1.04 -1.26 -4.98 113.70 120.63 1j7h s SER 108 Ca 0.00 -1.38 -0.15 0.00 0.48 0.00 0.00 55.95 54.90 1j7h s SER 108 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 1j7h s SER 108 CO 0.00 -0.37 0.34 0.00 0.98 0.00 0.00 173.24 174.19 1j7h s VAL 110 N 0.65 0.01 -0.50 0.00 -7.23 -0.47 -4.98 120.40 107.88 1j7h s VAL 110 Ca 0.18 -0.72 -0.16 0.00 -1.81 0.00 0.00 61.98 59.47 1j7h s VAL 110 Cb -0.14 -1.63 0.10 0.00 0.56 0.00 0.00 36.38 35.28 1j7h s VAL 110 CO 0.06 -0.05 0.45 -0.70 -0.31 0.00 0.00 175.10 174.55 1j7h s GLU 111 N -3.87 2.99 0.78 4.82 2.12 -1.26 -0.76 118.70 123.52 1j7h s GLU 111 Ca 0.09 -1.49 -0.11 0.00 0.36 0.00 0.00 54.97 53.81 1j7h s GLU 111 Cb -0.03 -4.21 0.06 0.00 0.26 0.00 0.00 34.13 30.21 1j7h s GLU 111 CO -0.01 -1.17 1.08 0.14 -0.54 0.00 0.00 175.26 174.76 1j7h s VAL 112 N 1.67 3.32 -0.07 3.70 -7.23 0.74 -4.89 120.40 117.64 1j7h s VAL 112 Ca 0.04 0.43 -0.24 0.00 -1.81 0.00 0.00 61.98 60.40 1j7h s VAL 112 Cb -0.27 -3.11 -0.28 0.00 0.56 0.00 0.00 36.38 33.28 1j7h s VAL 112 CO 0.05 -0.56 0.90 0.00 -0.31 0.00 0.00 175.10 175.18 1j7h h ALA 113 N -1.04 -0.04 -2.54 1.32 0.00 -1.95 -3.41 119.26 111.60 1j7h h ALA 113 Ca -0.46 -0.61 -0.21 0.00 0.00 0.00 0.00 54.91 53.64 1j7h h ALA 113 Cb 1.25 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 1j7h h ALA 113 CO 0.57 0.24 -0.60 0.50 0.00 0.00 0.00 179.25 179.97 1j7h s ARG 114 N -2.54 1.11 0.10 0.00 6.06 -1.26 -5.03 118.95 117.39 1j7h s ARG 114 Ca -0.15 -1.52 -0.06 0.00 -2.50 0.00 0.00 55.73 51.50 1j7h s ARG 114 Cb 0.00 0.27 -0.02 0.00 0.06 0.00 0.00 34.95 35.27 1j7h s ARG 114 CO 0.78 -0.35 0.13 -0.51 -2.50 0.00 0.00 175.30 172.85 1j7h s LEU 115 N -3.10 1.66 0.31 -0.88 1.43 -1.26 -5.07 118.68 111.76 1j7h s LEU 115 Ca 0.32 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 1j7h s LEU 115 Cb 0.07 0.74 -0.12 0.00 0.03 0.00 0.00 46.19 46.91 1j7h s LEU 115 CO 0.08 -0.73 1.58 -2.65 0.23 0.00 0.00 176.35 174.86 1j7h n PRO 116 N -0.05 2.71 -1.26 1.29 -0.02 -1.26 -1.73 135.00 134.67 1j7h n PRO 116 Ca -0.12 0.96 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1j7h n PRO 116 Cb 0.62 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 1j7h n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1j7h n LYS 117 N 1.87 -0.81 -1.41 -0.52 4.76 -1.26 -2.39 118.16 118.40 1j7h n LYS 117 Ca 0.07 0.78 -0.14 0.00 -2.87 0.00 0.00 58.31 56.15 1j7h n LYS 117 Cb 0.37 -4.71 -0.06 0.00 -1.84 0.00 0.00 35.03 28.79 1j7h n LYS 117 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1j7h n ASP 118 N 0.10 -5.40 -4.08 4.39 8.00 -0.71 -4.95 116.55 113.91 1j7h n ASP 118 Ca -0.09 0.35 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1j7h n ASP 118 Cb 0.34 -4.15 0.22 0.00 -0.02 0.00 0.00 41.12 37.50 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1j7h n VAL 119 N -2.36 0.00 -0.48 2.53 0.24 -1.00 -4.88 118.33 112.38 1j7h n VAL 119 Ca -0.14 -0.28 0.06 0.00 -2.04 0.00 0.00 64.34 61.93 1j7h n VAL 119 Cb 0.58 -0.76 0.14 0.00 -1.47 0.00 0.00 33.84 32.33 1j7h n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j7h n GLY 120 N 1.80 3.48 3.63 7.63 0.00 -1.26 -4.44 105.19 116.03 1j7h n GLY 120 Ca 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 1j7h n GLY 120 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j7h s LEU 121 N -1.76 -0.11 -0.15 0.99 0.05 -1.26 -3.14 118.68 113.30 1j7h s LEU 121 Ca 0.24 0.13 -0.13 0.00 0.05 0.00 0.00 54.13 54.42 1j7h s LEU 121 Cb 0.17 1.26 0.04 0.00 -2.05 0.00 0.00 46.19 45.61 1j7h s LEU 121 CO 0.08 -0.10 0.39 -0.70 -0.55 0.00 0.00 176.35 175.47 1j7h s GLU 122 N -0.92 0.44 -0.07 1.48 2.12 -1.19 -4.56 118.70 116.00 1j7h s GLU 122 Ca 0.06 0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.93 1j7h s GLU 122 Cb -0.01 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.56 1j7h s GLU 122 CO -0.07 -0.08 0.17 0.42 -0.54 0.00 0.00 175.26 175.17 1j7h s ILE 123 N 0.46 -0.01 0.09 -3.70 1.09 -0.50 -1.26 121.20 117.36 1j7h s ILE 123 Ca -0.02 0.03 0.05 0.00 -1.10 0.00 0.00 60.65 59.60 1j7h s ILE 123 Cb -0.04 -0.25 -0.04 0.00 -1.06 0.00 0.00 42.46 41.07 1j7h s ILE 123 CO -0.02 0.01 0.01 -1.61 -0.10 0.00 0.00 174.94 173.23 1j7h s GLU 124 N 0.27 2.59 -0.07 2.79 2.02 -0.71 0.55 118.70 126.14 1j7h s GLU 124 Ca -0.01 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.16 1j7h s GLU 124 Cb -0.03 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.66 1j7h s GLU 124 CO -0.01 0.54 -0.06 0.00 0.02 0.00 0.00 175.26 175.75 1j7h s ALA 125 N -1.32 0.97 -0.11 5.21 0.00 -1.22 -1.85 121.76 123.44 1j7h s ALA 125 Ca 0.26 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1j7h s ALA 125 Cb -0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1j7h s ALA 125 CO 0.19 -0.14 -0.14 0.42 0.00 0.00 0.00 175.76 176.08 1j7h s ILE 126 N 1.20 3.00 0.16 0.00 -1.09 -0.99 -0.56 121.20 122.93 1j7h s ILE 126 Ca -0.06 -0.70 0.10 0.00 -2.23 0.00 0.00 60.65 57.77 1j7h s ILE 126 Cb -0.14 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 1j7h s ILE 126 CO -0.02 0.54 -0.23 0.00 -1.23 0.00 0.00 174.94 174.00 1j7h s ALA 127 N 0.11 2.30 -0.18 9.38 0.00 -0.81 -1.58 121.76 130.98 1j7h s ALA 127 Ca -0.07 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1j7h s ALA 127 Cb -0.15 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1j7h s ALA 127 CO 0.05 0.40 -0.12 0.14 0.00 0.00 0.00 175.76 176.23 1j7h s VAL 128 N -1.58 1.64 -0.84 0.00 -7.23 -1.13 0.22 120.40 111.49 1j7h s VAL 128 Ca 0.17 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1j7h s VAL 128 Cb -0.08 -1.66 0.34 0.00 0.56 0.00 0.00 36.38 35.54 1j7h s VAL 128 CO 0.08 0.27 1.61 -1.14 -0.31 0.00 0.00 175.10 175.60 1j7h n ARG 129 N 4.70 4.22 -0.46 4.82 3.00 0.30 -4.88 116.66 128.36 1j7h n ARG 129 Ca -0.16 -4.46 0.00 0.00 -0.00 0.00 0.00 57.85 53.23 1j7h n ARG 129 Cb 0.48 -2.36 0.00 0.00 0.00 0.00 0.00 32.46 30.58 1j7h n ARG 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26