#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7h s MET 2 N 0.00 1.12 -0.16 2.12 -2.45 -1.26 -5.04 119.30 113.63 1j7h s MET 2 Ca 0.00 -1.56 -0.11 0.00 -1.25 0.00 0.00 55.69 52.76 1j7h s MET 2 Cb 0.00 -0.02 0.04 0.00 1.25 0.00 0.00 34.83 36.10 1j7h s MET 2 CO 0.00 -0.24 0.23 2.41 1.05 0.00 0.00 175.02 178.46 1j7h n THR 3 N -0.24-13.13 -4.02 10.11 -1.04 -1.22 -5.00 114.28 99.75 1j7h n THR 3 Ca -0.04 2.88 -0.33 0.00 -2.04 0.00 0.00 64.05 64.53 1j7h n THR 3 Cb 0.64 -6.54 -0.15 0.00 -1.82 0.00 0.00 70.33 62.47 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 -0.66 2.35 0.15 -2.82 -0.44 0.11 -4.92 119.66 113.43 1j7h s GLN 4 Ca -0.26 -1.29 -0.34 0.00 -2.50 0.00 0.00 55.36 50.97 1j7h s GLN 4 Cb 0.02 -2.97 -0.14 0.00 -1.64 0.00 0.00 33.01 28.28 1j7h s GLN 4 CO 0.71 -0.56 1.58 1.51 0.50 0.00 0.00 175.29 179.02 1j7h n ILE 5 N 4.51 0.02 -3.33 -2.34 0.13 -1.26 -0.97 119.36 116.12 1j7h n ILE 5 Ca -0.14 -0.00 -0.31 0.00 -1.10 0.00 0.00 62.75 61.20 1j7h n ILE 5 Cb 0.43 -1.51 -0.05 0.00 -0.84 0.00 0.00 39.64 37.67 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 1j7h s ILE 6 N 0.99 4.93 -0.30 9.51 1.01 0.23 -4.87 121.20 132.70 1j7h s ILE 6 Ca 0.79 0.40 -0.16 0.00 0.00 0.00 0.00 60.65 61.69 1j7h s ILE 6 Cb -0.69 -3.66 0.17 0.00 0.01 0.00 0.00 42.46 38.30 1j7h s ILE 6 CO 0.39 -0.18 1.16 -2.28 0.00 0.00 0.00 174.94 174.02 1j7h s HIS 7 N -1.94 -0.26 0.37 3.97 2.46 -1.26 -3.61 115.29 115.01 1j7h s HIS 7 Ca 0.47 0.27 0.05 0.00 0.47 0.00 0.00 55.06 56.32 1j7h s HIS 7 Cb -0.11 0.09 -0.07 0.00 -0.13 0.00 0.00 32.58 32.36 1j7h s HIS 7 CO 0.24 -0.15 0.04 -0.08 -2.47 0.00 0.00 174.74 172.32 1j7h s THR 8 N 2.98 1.57 -0.32 0.89 -1.32 -1.26 -5.04 115.64 113.14 1j7h s THR 8 Ca -0.03 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 58.56 1j7h s THR 8 Cb -0.08 -2.88 0.74 0.00 -1.51 0.00 0.00 72.50 68.77 1j7h s THR 8 CO -0.10 0.00 1.72 -0.62 -2.21 0.00 0.00 174.62 173.41 1j7h n GLU 9 N -0.84 4.12 -0.08 7.08 4.71 -1.26 -4.20 120.64 130.17 1j7h n GLU 9 Ca -0.04 -2.94 -0.11 0.00 -0.01 0.00 0.00 57.16 54.06 1j7h n GLU 9 Cb 0.67 -2.20 -0.09 0.00 -1.01 0.00 0.00 31.44 28.81 1j7h n GLU 9 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1j7h n LYS 10 N 0.22 0.71 -3.73 3.49 4.76 -1.26 -4.96 118.16 117.39 1j7h n LYS 10 Ca 0.33 0.08 -0.36 0.00 -2.87 0.00 0.00 58.31 55.49 1j7h n LYS 10 Cb 1.25 -1.35 -0.09 0.00 -1.84 0.00 0.00 35.03 33.00 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 -2.35 3.62 -1.83 7.82 0.00 -1.26 -4.88 121.76 122.89 1j7h s ALA 11 Ca -0.20 -0.78 0.19 0.00 0.00 0.00 0.00 51.96 51.17 1j7h s ALA 11 Cb 0.06 -2.20 1.09 0.00 0.00 0.00 0.00 23.12 22.06 1j7h s ALA 11 CO 0.44 0.01 1.55 -2.30 0.00 0.00 0.00 175.76 175.46 1j7h n PRO 12 N 3.85 0.50 -0.81 0.00 -0.02 -1.26 -4.82 135.00 132.44 1j7h n PRO 12 Ca -0.16 0.03 -0.35 0.00 -2.02 0.00 0.00 63.50 61.01 1j7h n PRO 12 Cb 0.52 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.61 1j7h n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h n ALA 13 N -1.08 -4.81 -1.96 3.55 0.00 -1.26 -4.71 120.51 110.24 1j7h n ALA 13 Ca 0.13 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1j7h n ALA 13 Cb 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1j7h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j7h n ALA 14 N -4.05 -2.11 -1.89 0.00 0.00 -1.26 -4.75 120.51 106.45 1j7h n ALA 14 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1j7h n ALA 14 Cb 0.68 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1j7h n ALA 14 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1j7h n ILE 15 N 1.77 0.00 0.00 0.00 5.41 -1.26 -4.97 119.36 120.31 1j7h n ILE 15 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1j7h n ILE 15 Cb 0.00 0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 1j7h n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j7h n GLY 16 N 0.00 -0.53 2.07 7.39 0.00 -1.26 -5.00 105.19 107.86 1j7h n GLY 16 Ca 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 46.02 46.42 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 2.21 -3.64 1.61 -0.04 -1.26 -4.80 135.00 129.08 1j7h n PRO 17 Ca 0.00 -1.25 -0.02 0.00 -0.04 0.00 0.00 63.50 62.19 1j7h n PRO 17 Cb 0.00 -2.09 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 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 0.85 -0.04 0.25 0.54 1.13 -1.26 -5.18 117.35 113.64 1j7h s TYR 18 Ca 0.66 0.04 0.03 0.00 -1.41 0.00 0.00 57.07 56.39 1j7h s TYR 18 Cb 0.31 0.50 0.03 0.00 -1.10 0.00 0.00 41.96 41.70 1j7h s TYR 18 CO -0.03 -0.05 0.24 1.33 -2.51 0.00 0.00 175.55 174.53 1j7h n VAL 19 N 0.15 0.00 -0.02 -3.49 0.24 -1.26 -4.10 118.33 109.85 1j7h n VAL 19 Ca 0.03 -0.93 -0.16 0.00 -2.04 0.00 0.00 64.34 61.23 1j7h n VAL 19 Cb 0.57 -0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 32.40 1j7h n VAL 19 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1j7h h GLN 20 N 0.00 0.49 -1.94 7.34 4.20 -1.86 -3.36 115.11 119.99 1j7h h GLN 20 Ca -0.14 -0.41 0.35 0.00 0.06 0.00 0.00 58.65 58.50 1j7h h GLN 20 Cb 0.56 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.35 1j7h h GLN 20 CO 0.22 1.05 0.91 0.00 -0.67 0.00 0.00 178.83 180.33 1j7h s ALA 21 N -3.62 -2.46 -0.02 3.87 0.00 -1.24 -2.51 121.76 115.78 1j7h s ALA 21 Ca -0.13 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1j7h s ALA 21 Cb 0.05 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1j7h s ALA 21 CO 0.82 -1.13 -0.00 0.14 0.00 0.00 0.00 175.76 175.59 1j7h s VAL 22 N -2.08 0.13 -0.47 0.00 -7.23 -0.76 0.75 120.40 110.75 1j7h s VAL 22 Ca 0.26 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 1j7h s VAL 22 Cb 0.01 -0.19 0.10 0.00 0.56 0.00 0.00 36.38 36.85 1j7h s VAL 22 CO -0.02 0.10 0.36 -0.62 -0.31 0.00 0.00 175.10 174.61 1j7h s ASP 23 N 0.62 5.88 0.33 4.85 2.15 -0.14 -2.02 116.67 128.33 1j7h s ASP 23 Ca -0.06 -1.62 0.24 0.00 0.43 0.00 0.00 52.55 51.54 1j7h s ASP 23 Cb -0.09 -2.08 0.48 0.00 -0.30 0.00 0.00 42.92 40.94 1j7h s ASP 23 CO -0.01 -0.66 1.62 -0.07 -0.17 0.00 0.00 175.17 175.87 1j7h h LEU 24 N 8.59 0.00 0.00 -1.34 3.38 -1.83 0.32 115.31 124.43 1j7h h LEU 24 Ca -0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1j7h h LEU 24 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1j7h h LEU 24 CO 0.87 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.01 1j7h n GLY 25 N 1.19 1.47 0.32 0.83 0.00 -1.26 -4.16 105.19 103.58 1j7h n GLY 25 Ca 0.04 -0.87 0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.28 1.61 4.21 -1.94 -3.39 115.58 112.78 1j7h h ASN 26 Ca 0.00 0.00 -0.48 0.00 1.21 0.00 0.00 56.30 57.03 1j7h h ASN 26 Cb 0.00 0.00 -0.36 0.00 -1.12 0.00 0.00 38.32 36.84 1j7h h ASN 26 CO 0.00 0.00 -0.79 -0.76 -1.29 0.00 0.00 177.43 174.59 1j7h s LEU 27 N -8.65 1.08 0.02 1.61 1.02 -1.26 0.12 118.68 112.62 1j7h s LEU 27 Ca -0.05 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 53.93 1j7h s LEU 27 Cb 0.18 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.71 1j7h s LEU 27 CO 0.67 -0.11 -0.03 0.54 0.02 0.00 0.00 176.35 177.44 1j7h s VAL 28 N 1.52 3.92 -0.02 -1.59 0.11 0.28 -2.88 120.40 121.74 1j7h s VAL 28 Ca -0.00 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.34 1j7h s VAL 28 Cb -0.13 -2.76 -0.01 0.00 -1.53 0.00 0.00 36.38 31.94 1j7h s VAL 28 CO -0.04 0.32 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.10 1j7h s LEU 29 N -1.68 2.03 0.29 2.54 1.02 -0.86 0.14 118.68 122.17 1j7h s LEU 29 Ca 0.20 -0.36 0.09 0.00 0.02 0.00 0.00 54.13 54.08 1j7h s LEU 29 Cb -0.11 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 1j7h s LEU 29 CO 0.11 0.23 0.04 0.42 0.02 0.00 0.00 176.35 177.17 1j7h s THR 30 N -0.41 3.26 0.42 5.49 -4.23 -0.44 -1.82 115.64 117.91 1j7h s THR 30 Ca 0.06 -1.86 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 1j7h s THR 30 Cb -0.08 -2.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 1j7h s THR 30 CO -0.00 -0.31 0.61 -0.94 -0.54 0.00 0.00 174.62 173.44 1j7h s SER 31 N -3.72 5.81 -0.69 3.99 1.04 -1.04 -4.31 113.70 114.78 1j7h s SER 31 Ca 0.33 0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.58 1j7h s SER 31 Cb -0.05 -1.33 -0.12 0.00 0.10 0.00 0.00 66.02 64.62 1j7h s SER 31 CO 0.21 -0.67 2.42 0.61 0.98 0.00 0.00 173.24 176.78 1j7h n GLY 32 N -1.96 -0.04 3.76 7.32 0.00 -1.26 -4.45 105.19 108.55 1j7h n GLY 32 Ca 0.02 0.47 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 1j7h n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j7h s GLN 33 N 8.60 3.41 0.01 1.61 1.11 0.31 -4.72 119.66 129.99 1j7h s GLN 33 Ca 0.98 2.07 0.02 0.00 0.01 0.00 0.00 55.36 58.44 1j7h s GLN 33 Cb -0.21 -2.34 -0.01 0.00 -1.01 0.00 0.00 33.01 29.44 1j7h s GLN 33 CO 0.19 -0.92 -0.08 0.96 0.01 0.00 0.00 175.29 175.45 1j7h s ILE 34 N -1.39 0.60 -0.53 1.08 -4.36 -1.26 -1.96 121.20 113.38 1j7h s ILE 34 Ca 0.68 -0.48 -0.05 0.00 -0.26 0.00 0.00 60.65 60.54 1j7h s ILE 34 Cb -0.36 -0.53 -0.11 0.00 1.25 0.00 0.00 42.46 42.71 1j7h s ILE 34 CO 0.43 0.06 2.35 -2.65 0.24 0.00 0.00 174.94 175.37 1j7h n PRO 35 N 2.59 1.81 -1.67 0.37 -0.02 -1.26 -4.79 135.00 132.03 1j7h n PRO 35 Ca -0.15 -1.11 -0.16 0.00 -2.02 0.00 0.00 63.50 60.05 1j7h n PRO 35 Cb 0.57 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 1j7h n PRO 35 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j7h s VAL 36 N 2.51 3.10 -0.17 -1.45 1.01 -1.21 -3.03 120.40 121.16 1j7h s VAL 36 Ca 0.43 -0.13 -0.33 0.00 0.00 0.00 0.00 61.98 61.95 1j7h s VAL 36 Cb 0.16 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.78 1j7h s VAL 36 CO -0.02 -0.20 1.01 -3.20 0.00 0.00 0.00 175.10 172.69 1j7h n ASN 37 N 18.28 0.41 0.00 3.32 2.85 -1.26 -4.46 115.26 134.41 1j7h n ASN 37 Ca 0.44 0.91 0.09 0.00 -0.11 0.00 0.00 54.58 55.91 1j7h n ASN 37 Cb 0.45 -0.70 0.41 0.00 1.24 0.00 0.00 39.78 41.18 1j7h n ASN 37 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1j7h n PRO 38 N 2.02 0.13 -0.08 1.20 -0.04 -1.26 0.23 135.00 137.20 1j7h n PRO 38 Ca 0.19 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.75 1j7h n PRO 38 Cb 0.01 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.81 1j7h n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j7h n ALA 39 N -1.39 1.75 0.00 0.55 0.00 -1.26 -4.75 120.51 115.41 1j7h n ALA 39 Ca 0.06 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1j7h n ALA 39 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1j7h n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j7h n THR 40 N -2.66 0.00 -1.27 0.00 5.66 -1.10 -5.08 114.28 109.82 1j7h n THR 40 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1j7h n THR 40 Cb 1.05 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 1.94 0.70 0.00 1.09 0.00 0.62 -4.95 105.19 104.58 1j7h n GLY 41 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1j7h n GLY 41 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1j7h n GLU 42 N -1.18 0.00 -3.15 1.61 0.28 -1.25 -4.75 120.64 112.20 1j7h n GLU 42 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1j7h n GLU 42 Cb 0.42 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.27 1j7h n GLU 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1j7h s VAL 43 N 0.00 -0.14 0.33 3.84 0.11 -1.17 -3.31 120.40 120.05 1j7h s VAL 43 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1j7h s VAL 43 Cb 0.00 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.72 1j7h s VAL 43 CO 0.00 0.00 1.12 -2.65 -3.33 0.00 0.00 175.10 170.24 1j7h n PRO 44 N 5.46 1.65 0.10 1.54 -0.02 -1.25 -4.89 135.00 137.60 1j7h n PRO 44 Ca -0.09 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 61.95 1j7h n PRO 44 Cb 0.54 -2.05 0.21 0.00 -0.02 0.00 0.00 33.50 32.18 1j7h n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h h ALA 45 N 2.15 1.08 -0.81 3.55 0.00 -1.98 -3.41 119.26 119.83 1j7h h ALA 45 Ca -0.43 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 53.80 1j7h h ALA 45 Cb 1.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1j7h h ALA 45 CO 0.61 0.62 0.69 -0.51 0.00 0.00 0.00 179.25 180.65 1j7h s ASP 46 N -6.88 4.63 0.51 0.00 1.01 -1.26 -4.78 116.67 109.90 1j7h s ASP 46 Ca -0.04 -0.06 0.43 0.00 0.71 0.00 0.00 52.55 53.60 1j7h s ASP 46 Cb 0.13 -2.54 1.65 0.00 1.01 0.00 0.00 42.92 43.16 1j7h s ASP 46 CO 0.77 -3.11 1.58 0.40 0.21 0.00 0.00 175.17 175.02 1j7h h ILE 47 N 7.41 0.01 0.14 0.77 1.08 -1.97 1.14 117.51 126.09 1j7h h ILE 47 Ca -0.03 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1j7h h ILE 47 Cb 1.06 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1j7h h ILE 47 CO 1.13 0.00 -0.07 0.58 -0.69 0.00 0.00 178.15 179.11 1j7h h VAL 48 N 0.00 0.58 0.00 1.67 2.07 -1.94 -0.51 116.25 118.12 1j7h h VAL 48 Ca 0.92 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1j7h h VAL 48 Cb 3.41 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 34.21 1j7h h VAL 48 CO -0.20 0.17 -0.13 0.00 0.02 0.00 0.00 177.57 177.43 1j7h h ALA 49 N -0.62 1.65 0.00 1.67 0.00 -0.90 -0.24 119.26 120.82 1j7h h ALA 49 Ca -0.02 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1j7h h ALA 49 Cb 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1j7h h ALA 49 CO 0.03 0.17 -0.93 0.37 0.00 0.00 0.00 179.25 178.89 1j7h h GLN 50 N 0.00 0.00 0.10 0.00 4.15 0.11 -2.83 115.11 116.64 1j7h h GLN 50 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.16 1j7h h GLN 50 Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1j7h h GLN 50 CO 0.02 0.86 -1.18 0.00 -1.93 0.00 0.00 178.83 176.60 1j7h h ALA 51 N 1.12 0.16 0.00 3.38 0.00 -0.13 -3.13 119.26 120.65 1j7h h ALA 51 Ca -0.02 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 53.87 1j7h h ALA 51 Cb 1.69 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1j7h h ALA 51 CO 0.11 0.96 -0.77 0.07 0.00 0.00 0.00 179.25 179.62 1j7h h ARG 52 N 0.09 0.00 -0.09 0.00 0.11 -1.16 -3.12 114.38 110.21 1j7h h ARG 52 Ca -0.12 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 1j7h h ARG 52 Cb 1.89 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.97 1j7h h ARG 52 CO 0.19 0.77 -0.04 1.96 0.10 0.00 0.00 179.97 182.95 1j7h h GLN 53 N 0.00 0.18 -0.59 0.08 1.08 -1.57 -2.43 115.11 111.86 1j7h h GLN 53 Ca -0.01 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1j7h h GLN 53 Cb 1.47 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.86 1j7h h GLN 53 CO 0.10 0.54 0.39 0.77 -0.95 0.00 0.00 178.83 179.69 1j7h h SER 54 N -0.18 0.66 0.38 1.46 0.02 -1.62 -1.33 113.55 112.94 1j7h h SER 54 Ca 0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1j7h h SER 54 Cb 0.48 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1j7h h SER 54 CO 0.01 0.47 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.92 1j7h h LEU 55 N 0.77 -0.43 -1.86 5.07 3.38 -1.46 -2.25 115.31 118.53 1j7h h LEU 55 Ca 0.22 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1j7h h LEU 55 Cb -0.04 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1j7h h LEU 55 CO -0.05 -0.15 0.15 1.05 0.09 0.00 0.00 178.44 179.53 1j7h h GLU 56 N -0.73 0.18 -0.19 1.13 4.11 -1.20 -0.95 114.58 116.94 1j7h h GLU 56 Ca -0.05 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.27 1j7h h GLU 56 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1j7h h GLU 56 CO 0.09 0.12 -0.32 -0.91 0.07 0.00 0.00 179.01 178.06 1j7h h ASN 57 N 0.19 0.40 -0.02 3.06 -0.26 -1.06 0.21 115.58 118.10 1j7h h ASN 57 Ca 0.09 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1j7h h ASN 57 Cb 0.13 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1j7h h ASN 57 CO -0.02 0.70 -0.02 0.58 -1.06 0.00 0.00 177.43 177.61 1j7h h VAL 58 N 0.34 1.39 0.00 2.81 2.07 -0.57 -2.93 116.25 119.36 1j7h h VAL 58 Ca 0.04 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 1j7h h VAL 58 Cb 0.73 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1j7h h VAL 58 CO 0.06 0.32 -0.54 0.07 0.02 0.00 0.00 177.57 177.49 1j7h h LYS 59 N -0.43 0.00 -0.83 1.57 2.10 -1.42 -2.69 116.57 114.87 1j7h h LYS 59 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1j7h h LYS 59 Cb 0.53 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.82 1j7h h LYS 59 CO 0.01 0.54 0.51 0.00 -2.00 0.00 0.00 179.45 178.51 1j7h h ALA 60 N 1.46 1.06 -0.17 0.07 0.00 -0.56 0.83 119.26 121.94 1j7h h ALA 60 Ca -0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1j7h h ALA 60 Cb 0.98 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1j7h h ALA 60 CO 0.07 0.51 -0.50 0.82 0.00 0.00 0.00 179.25 180.15 1j7h h ILE 61 N 1.13 1.33 -0.04 0.00 2.04 -1.42 -1.29 117.51 119.27 1j7h h ILE 61 Ca 0.30 -1.75 -0.10 0.00 1.00 0.00 0.00 64.86 64.31 1j7h h ILE 61 Cb -0.06 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1j7h h ILE 61 CO -0.06 0.54 -0.45 0.40 0.00 0.00 0.00 178.15 178.59 1j7h h ILE 62 N 0.30 1.32 -0.05 -0.67 2.04 -1.17 -2.61 117.51 116.67 1j7h h ILE 62 Ca -0.02 -1.56 -0.23 0.00 1.00 0.00 0.00 64.86 64.05 1j7h h ILE 62 Cb 1.12 1.80 0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1j7h h ILE 62 CO 0.11 0.45 -0.89 -0.33 0.00 0.00 0.00 178.15 177.49 1j7h h GLU 63 N 0.07 0.68 0.00 2.37 5.08 0.15 0.22 114.58 123.15 1j7h h GLU 63 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1j7h h GLU 63 Cb 0.82 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1j7h h GLU 63 CO 0.06 1.27 0.00 -0.22 -1.00 0.00 0.00 179.01 179.12 1j7h h LYS 64 N 0.35 0.00 0.00 2.33 3.11 -1.10 -1.84 116.57 119.42 1j7h h LYS 64 Ca -0.10 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.54 1j7h h LYS 64 Cb 1.54 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.74 1j7h h LYS 64 CO 0.18 0.00 -1.52 0.00 -2.81 0.00 0.00 179.45 175.30 1j7h n ALA 65 N -2.05 1.83 0.00 5.00 0.00 -1.00 -4.98 120.51 119.31 1j7h n ALA 65 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1j7h n ALA 65 Cb 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.44 0.99 3.41 0.00 0.00 -0.69 -5.11 105.19 105.23 1j7h n GLY 66 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.01 0.00 0.99 1.43 0.71 -4.99 118.68 116.81 1j7h s LEU 67 Ca 0.00 0.63 0.09 0.00 -1.03 0.00 0.00 54.13 53.82 1j7h s LEU 67 Cb 0.00 1.94 0.09 0.00 0.03 0.00 0.00 46.19 48.25 1j7h s LEU 67 CO 0.00 -0.44 0.74 0.35 0.23 0.00 0.00 176.35 177.23 1j7h n THR 68 N 1.57 0.00 0.18 5.49 -2.24 -1.26 -1.82 114.28 116.20 1j7h n THR 68 Ca -0.18 -1.97 0.07 0.00 -2.27 0.00 0.00 64.05 59.70 1j7h n THR 68 Cb 0.56 -0.44 0.14 0.00 -2.10 0.00 0.00 70.33 68.49 1j7h n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j7h h ALA 69 N 0.20 0.83 -0.29 6.98 0.00 -1.95 -3.20 119.26 121.82 1j7h h ALA 69 Ca -0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1j7h h ALA 69 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1j7h h ALA 69 CO 0.41 0.36 0.03 0.00 0.00 0.00 0.00 179.25 180.05 1j7h h ALA 70 N 1.71 1.51 0.00 0.00 0.00 -1.90 -1.59 119.26 118.99 1j7h h ALA 70 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1j7h h ALA 70 Cb 1.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1j7h h ALA 70 CO 0.04 0.36 -0.14 0.38 0.00 0.00 0.00 179.25 179.89 1j7h h ASP 71 N 0.42 0.00 -1.86 0.00 3.04 -1.87 -3.44 116.42 112.70 1j7h h ASP 71 Ca 0.10 0.00 -0.66 0.00 -3.24 0.00 0.00 57.03 53.23 1j7h h ASP 71 Cb 0.24 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.55 1j7h h ASP 71 CO 0.00 0.14 0.99 -0.38 -2.04 0.00 0.00 179.24 177.95 1j7h n ILE 72 N -3.19 0.44 -0.01 4.15 2.08 -0.60 -2.70 119.36 119.53 1j7h n ILE 72 Ca 0.02 -0.08 -0.12 0.00 0.56 0.00 0.00 62.75 63.13 1j7h n ILE 72 Cb 0.48 -1.60 -0.14 0.00 -0.75 0.00 0.00 39.64 37.63 1j7h n ILE 72 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 1j7h h VAL 73 N 5.20 0.83 -3.18 1.39 -1.51 -1.55 -3.37 116.25 114.06 1j7h h VAL 73 Ca -0.48 -2.64 -0.40 0.00 -1.23 0.00 0.00 66.70 61.95 1j7h h VAL 73 Cb 1.29 2.47 -0.14 0.00 -2.13 0.00 0.00 31.29 32.78 1j7h h VAL 73 CO 0.94 0.62 -0.66 -0.75 -1.23 0.00 0.00 177.57 176.50 1j7h s LYS 74 N -2.59 1.39 -0.30 5.19 2.20 -1.18 -0.05 119.74 124.39 1j7h s LYS 74 Ca -0.09 -1.70 -0.01 0.00 -0.36 0.00 0.00 55.97 53.81 1j7h s LYS 74 Cb 0.08 -0.72 0.19 0.00 -1.51 0.00 0.00 37.83 35.87 1j7h s LYS 74 CO 0.81 -0.08 0.68 0.95 -0.36 0.00 0.00 175.35 177.35 1j7h s THR 75 N -3.35 -0.88 0.31 3.43 -4.23 0.95 -3.08 115.64 108.80 1j7h s THR 75 Ca 0.29 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.75 1j7h s THR 75 Cb 0.05 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 1j7h s THR 75 CO 0.10 0.00 0.57 -0.89 -0.54 0.00 0.00 174.62 173.86 1j7h s THR 76 N 2.87 5.01 -0.27 3.99 2.01 0.95 -3.12 115.64 127.08 1j7h s THR 76 Ca 0.15 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1j7h s THR 76 Cb -0.12 -3.75 0.15 0.00 0.01 0.00 0.00 72.50 68.79 1j7h s THR 76 CO -0.22 -0.37 0.38 -0.69 -0.69 0.00 0.00 174.62 173.03 1j7h s VAL 77 N -2.15 -0.58 -0.65 3.82 1.01 -1.19 -2.73 120.40 117.92 1j7h s VAL 77 Ca 0.44 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 1j7h s VAL 77 Cb -0.11 -0.93 0.08 0.00 0.00 0.00 0.00 36.38 35.42 1j7h s VAL 77 CO 0.31 -0.27 0.91 -0.36 0.00 0.00 0.00 175.10 175.69 1j7h s PHE 78 N 2.51 2.76 0.05 5.22 0.08 -0.85 -2.67 117.98 125.09 1j7h s PHE 78 Ca 0.10 -0.67 -0.03 0.00 0.12 0.00 0.00 56.93 56.45 1j7h s PHE 78 Cb -0.14 -4.23 -0.05 0.00 -0.57 0.00 0.00 43.02 38.04 1j7h s PHE 78 CO -0.26 -1.56 0.25 0.14 -0.10 0.00 0.00 175.22 173.69 1j7h s VAL 79 N 3.70 5.33 -1.64 -0.44 -7.23 -1.12 -2.70 120.40 116.31 1j7h s VAL 79 Ca 0.20 -0.10 0.31 0.00 -1.81 0.00 0.00 61.98 60.57 1j7h s VAL 79 Cb -0.18 -3.59 0.66 0.00 0.56 0.00 0.00 36.38 33.82 1j7h s VAL 79 CO 0.09 0.22 2.11 1.17 -0.31 0.00 0.00 175.10 178.38 1j7h n LYS 80 N 0.62 0.64 -3.61 4.82 4.81 -1.19 0.75 118.16 125.00 1j7h n LYS 80 Ca -0.07 -0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.21 1j7h n LYS 80 Cb 0.52 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.00 1j7h n LYS 80 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j7h s ASP 81 N -2.37 -0.69 0.00 3.14 1.01 -1.26 -4.76 116.67 111.73 1j7h s ASP 81 Ca 0.35 1.22 0.27 0.00 0.71 0.00 0.00 52.55 55.10 1j7h s ASP 81 Cb 0.21 1.20 1.42 0.00 1.01 0.00 0.00 42.92 46.76 1j7h s ASP 81 CO 0.43 -0.31 1.93 0.18 0.21 0.00 0.00 175.17 177.61 1j7h n LEU 82 N 2.24 0.46 -0.04 1.23 4.77 -1.26 -3.33 117.00 121.08 1j7h n LEU 82 Ca -0.15 -0.17 0.02 0.00 -0.03 0.00 0.00 56.01 55.69 1j7h n LEU 82 Cb 0.56 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1j7h n LEU 82 CO 0.07 0.08 -0.84 -0.46 -1.33 0.00 0.00 177.39 174.92 1j7h n ASN 83 N -0.58 0.12 0.15 -1.43 0.23 -1.26 -4.25 115.26 108.24 1j7h n ASN 83 Ca 0.20 0.05 0.02 0.00 -0.53 0.00 0.00 54.58 54.32 1j7h n ASN 83 Cb 0.17 1.39 0.19 0.00 -2.08 0.00 0.00 39.78 39.44 1j7h n ASN 83 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1j7h h ASP 84 N 0.00 0.00 0.00 0.53 3.04 -1.98 -3.09 116.42 114.92 1j7h h ASP 84 Ca -0.22 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 1j7h h ASP 84 Cb 1.52 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.81 1j7h h ASP 84 CO 0.02 0.52 0.03 0.15 -2.04 0.00 0.00 179.24 177.92 1j7h h PHE 85 N 0.00 0.00 0.37 4.15 3.04 -1.74 -2.92 116.94 119.84 1j7h h PHE 85 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1j7h h PHE 85 Cb 1.14 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.62 1j7h h PHE 85 CO 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 178.31 175.88 1j7h h ALA 86 N 1.93 -0.88 -0.09 2.41 0.00 -1.79 0.98 119.26 121.81 1j7h h ALA 86 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1j7h h ALA 86 Cb 0.06 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1j7h h ALA 86 CO 0.00 -1.04 -0.41 0.00 0.00 0.00 0.00 179.25 177.80 1j7h h ALA 87 N -0.45 1.15 -0.29 0.00 0.00 -1.77 -2.39 119.26 115.52 1j7h h ALA 87 Ca -0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1j7h h ALA 87 Cb 0.74 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1j7h h ALA 87 CO -0.09 0.57 -0.43 0.28 0.00 0.00 0.00 179.25 179.59 1j7h h VAL 88 N 0.16 1.29 -0.20 0.00 2.07 -1.42 -2.45 116.25 115.71 1j7h h VAL 88 Ca 0.01 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1j7h h VAL 88 Cb 0.79 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1j7h h VAL 88 CO 0.06 0.52 0.06 -1.13 0.02 0.00 0.00 177.57 177.10 1j7h h ASN 89 N 0.56 0.29 -0.55 0.57 -1.24 0.11 1.05 115.58 116.36 1j7h h ASN 89 Ca 0.03 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 56.84 1j7h h ASN 89 Cb 1.02 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.97 1j7h h ASN 89 CO 0.10 0.42 0.37 0.00 -1.29 0.00 0.00 177.43 177.03 1j7h h ALA 90 N 0.88 1.60 0.00 1.57 0.00 -1.46 -0.94 119.26 120.92 1j7h h ALA 90 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j7h h ALA 90 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1j7h h ALA 90 CO -0.00 0.37 -0.98 0.39 0.00 0.00 0.00 179.25 179.02 1j7h n GLU 91 N -4.45 0.37 0.11 0.00 -0.58 -0.92 -2.98 120.64 112.19 1j7h n GLU 91 Ca 0.05 0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.61 1j7h n GLU 91 Cb 0.05 -1.65 -0.15 0.00 -0.57 0.00 0.00 31.44 29.11 1j7h n GLU 91 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1j7h h TYR 92 N 0.00 0.76 0.00 -0.32 5.03 0.18 -3.14 116.97 119.49 1j7h h TYR 92 Ca 0.00 -0.56 -0.23 0.00 2.58 0.00 0.00 58.73 60.52 1j7h h TYR 92 Cb 0.80 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 1j7h h TYR 92 CO 0.00 1.50 -1.39 1.49 -1.32 0.00 0.00 178.16 178.45 1j7h h GLU 93 N 0.11 0.00 0.00 1.82 4.81 -1.36 -3.13 114.58 116.83 1j7h h GLU 93 Ca -0.25 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1j7h h GLU 93 Cb 2.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.47 1j7h h GLU 93 CO 0.23 0.57 -0.13 0.00 -0.73 0.00 0.00 179.01 178.95 1j7h h ARG 94 N 0.00 0.00 0.05 1.92 2.47 -1.67 -3.14 114.38 114.01 1j7h h ARG 94 Ca -0.17 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.21 1j7h h ARG 94 Cb 1.82 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.10 1j7h h ARG 94 CO 0.08 0.13 -1.95 1.97 0.56 0.00 0.00 179.97 180.76 1j7h n PHE 95 N -3.20 0.91 0.32 3.04 1.16 -1.18 -3.14 117.46 115.36 1j7h n PHE 95 Ca 0.01 0.26 -0.17 0.00 -1.87 0.00 0.00 57.45 55.68 1j7h n PHE 95 Cb 0.45 -1.14 -0.09 0.00 -1.61 0.00 0.00 39.48 37.09 1j7h n PHE 95 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1j7h h PHE 96 N 0.03 -1.07 0.00 2.97 -1.00 -1.55 0.46 116.94 116.77 1j7h h PHE 96 Ca -0.39 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.34 1j7h h PHE 96 Cb 2.04 0.40 -0.01 0.00 3.61 0.00 0.00 35.95 41.99 1j7h h PHE 96 CO 0.03 -0.58 -0.21 -0.22 -1.61 0.00 0.00 178.31 175.72 1j7h h LYS 97 N -0.92 0.00 0.00 1.51 1.63 -1.71 1.05 116.57 118.12 1j7h h LYS 97 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1j7h h LYS 97 Cb 0.77 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1j7h h LYS 97 CO 0.03 0.21 0.00 -1.91 -3.45 0.00 0.00 179.45 174.33 1j7h n GLU 98 N -4.26 0.01 0.00 1.90 2.13 -0.77 -2.59 120.64 117.06 1j7h n GLU 98 Ca -0.02 0.08 0.06 0.00 0.66 0.00 0.00 57.16 57.94 1j7h n GLU 98 Cb 0.27 -1.51 -0.05 0.00 0.27 0.00 0.00 31.44 30.41 1j7h n GLU 98 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j7h n ASN 99 N -1.53 0.76 -0.09 4.31 2.85 0.15 -4.97 115.26 116.74 1j7h n ASN 99 Ca 0.06 -0.88 0.00 0.00 -0.11 0.00 0.00 54.58 53.65 1j7h n ASN 99 Cb 0.29 0.88 0.00 0.00 1.24 0.00 0.00 39.78 42.19 1j7h n ASN 99 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1j7h n ASN 100 N -1.04 -0.73 -2.77 1.20 5.15 0.02 -4.91 115.26 112.19 1j7h n ASN 100 Ca 0.03 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.72 1j7h n ASN 100 Cb 0.21 -0.28 -0.01 0.00 -0.53 0.00 0.00 39.78 39.17 1j7h n ASN 100 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1j7h n HIS 101 N -2.24 3.57 0.68 1.20 8.25 0.34 -4.68 115.22 122.34 1j7h n HIS 101 Ca 0.00 -3.33 0.11 0.00 -0.26 0.00 0.00 57.72 54.24 1j7h n HIS 101 Cb 0.28 -0.41 0.46 0.00 1.12 0.00 0.00 29.99 31.44 1j7h n HIS 101 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1j7h n PRO 102 N -0.37 0.08 -0.34 -0.41 -0.04 -1.26 -3.66 135.00 128.99 1j7h n PRO 102 Ca 0.38 0.18 0.23 0.00 -0.04 0.00 0.00 63.50 64.25 1j7h n PRO 102 Cb 0.50 -1.61 0.49 0.00 -0.04 0.00 0.00 33.50 32.83 1j7h n PRO 102 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1j7h h ASN 103 N 0.00 0.49 -4.78 3.54 -0.00 -1.87 -3.47 115.58 109.49 1j7h h ASN 103 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1j7h h ASN 103 Cb 0.44 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.80 1j7h h ASN 103 CO 0.00 0.05 -0.56 0.49 -0.00 0.00 0.00 177.43 177.42 1j7h n PHE 104 N -4.73 -2.98 -1.35 0.67 3.72 -1.24 -4.98 117.46 106.57 1j7h n PHE 104 Ca 0.27 1.25 -0.33 0.00 -0.05 0.00 0.00 57.45 58.59 1j7h n PHE 104 Cb 0.90 -3.57 0.10 0.00 -0.94 0.00 0.00 39.48 35.97 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 -1.91 2.11 0.99 -1.08 0.04 -1.26 -4.97 135.00 128.92 1j7h s PRO 105 Ca 0.12 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 1j7h s PRO 105 Cb -0.03 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.73 1j7h s PRO 105 CO 0.62 -1.82 0.42 0.00 0.04 0.00 0.00 177.00 176.26 1j7h n ALA 106 N -3.03 -2.79 -2.71 8.56 0.00 0.92 -4.56 120.51 116.91 1j7h n ALA 106 Ca 0.12 -0.78 -0.18 0.00 0.00 0.00 0.00 53.44 52.60 1j7h n ALA 106 Cb 0.51 -1.78 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1j7h n ALA 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1j7h s ARG 107 N -3.72 0.72 -0.40 0.00 3.52 -1.26 -0.03 118.95 117.78 1j7h s ARG 107 Ca 0.58 -0.53 0.09 0.00 -0.13 0.00 0.00 55.73 55.74 1j7h s ARG 107 Cb -0.19 -0.67 0.29 0.00 -1.56 0.00 0.00 34.95 32.82 1j7h s ARG 107 CO 0.66 0.17 0.69 0.45 -0.81 0.00 0.00 175.30 176.46 1j7h n SER 108 N 2.30 -0.08 -4.82 -2.12 2.88 -1.18 -4.97 113.62 105.61 1j7h n SER 108 Ca -0.17 -2.96 -0.38 0.00 -1.33 0.00 0.00 58.87 54.03 1j7h n SER 108 Cb 0.56 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.79 1j7h n SER 108 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j7h s VAL 110 N -1.12 -0.02 -0.94 0.00 -7.23 -1.09 -4.97 120.40 105.04 1j7h s VAL 110 Ca 0.27 0.08 -0.25 0.00 -1.81 0.00 0.00 61.98 60.27 1j7h s VAL 110 Cb -0.18 -0.53 -0.13 0.00 0.56 0.00 0.00 36.38 36.10 1j7h s VAL 110 CO 0.17 0.03 2.17 -0.70 -0.31 0.00 0.00 175.10 176.47 1j7h s GLU 111 N 1.07 1.83 0.76 4.82 2.12 -1.25 -2.78 118.70 125.26 1j7h s GLU 111 Ca -0.07 -0.12 -0.11 0.00 0.36 0.00 0.00 54.97 55.03 1j7h s GLU 111 Cb -0.07 -4.95 0.05 0.00 0.26 0.00 0.00 34.13 29.41 1j7h s GLU 111 CO -0.08 -4.41 1.08 0.14 -0.54 0.00 0.00 175.26 171.45 1j7h s VAL 112 N 13.79 3.49 -0.04 3.70 -7.23 0.23 -4.90 120.40 129.44 1j7h s VAL 112 Ca 0.82 0.49 -0.22 0.00 -1.81 0.00 0.00 61.98 61.25 1j7h s VAL 112 Cb -0.08 -3.11 -0.26 0.00 0.56 0.00 0.00 36.38 33.50 1j7h s VAL 112 CO 0.09 -0.63 1.00 0.00 -0.31 0.00 0.00 175.10 175.25 1j7h h ALA 113 N -1.01 0.01 -2.85 1.32 0.00 -1.90 -3.37 119.26 111.47 1j7h h ALA 113 Ca -0.45 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 53.87 1j7h h ALA 113 Cb 1.23 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1j7h h ALA 113 CO 0.55 0.25 -0.05 1.03 0.00 0.00 0.00 179.25 181.03 1j7h s ARG 114 N -2.91 1.50 0.07 0.00 0.52 -1.26 -4.94 118.95 111.93 1j7h s ARG 114 Ca -0.15 -1.10 -0.04 0.00 -0.52 0.00 0.00 55.73 53.92 1j7h s ARG 114 Cb 0.02 0.49 -0.03 0.00 0.52 0.00 0.00 34.95 35.95 1j7h s ARG 114 CO 0.79 -0.63 0.06 -0.51 0.02 0.00 0.00 175.30 175.03 1j7h s LEU 115 N -2.96 2.01 0.20 2.53 1.02 -1.26 -5.04 118.68 115.18 1j7h s LEU 115 Ca 0.17 -0.89 -0.31 0.00 0.02 0.00 0.00 54.13 53.11 1j7h s LEU 115 Cb -0.01 0.53 -0.15 0.00 0.02 0.00 0.00 46.19 46.58 1j7h s LEU 115 CO 0.05 -0.67 1.11 -2.65 0.02 0.00 0.00 176.35 174.21 1j7h n PRO 116 N 0.02 1.20 -1.32 1.29 -0.02 -1.26 -0.30 135.00 134.61 1j7h n PRO 116 Ca -0.13 0.43 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1j7h n PRO 116 Cb 0.62 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.48 -1.28 -1.43 -0.52 4.76 -1.26 -1.94 118.16 117.97 1j7h n LYS 117 Ca 0.14 0.85 -0.15 0.00 -2.87 0.00 0.00 58.31 56.28 1j7h n LYS 117 Cb 0.27 -5.04 -0.06 0.00 -1.84 0.00 0.00 35.03 28.35 1j7h n LYS 117 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j7h n ASP 118 N -0.69 -5.41 -4.68 4.39 2.03 0.58 -4.78 116.55 108.00 1j7h n ASP 118 Ca -0.11 0.37 -0.50 0.00 0.52 0.00 0.00 54.79 55.07 1j7h n ASP 118 Cb 0.49 -4.22 -0.05 0.00 -0.72 0.00 0.00 41.12 36.62 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1j7h n VAL 119 N -2.36 0.39 0.29 5.18 0.24 -0.82 -4.81 118.33 116.44 1j7h n VAL 119 Ca -0.15 -0.07 0.18 0.00 -2.04 0.00 0.00 64.34 62.26 1j7h n VAL 119 Cb 0.59 -1.62 0.91 0.00 -1.47 0.00 0.00 33.84 32.25 1j7h n VAL 119 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1j7h h GLY 120 N 7.94 0.00 -4.55 7.63 0.00 -1.90 -3.40 103.07 108.79 1j7h h GLY 120 Ca -0.47 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1j7h h GLY 120 CO 0.93 0.00 -0.14 1.08 0.00 0.00 0.00 176.54 178.41 1j7h s LEU 121 N -6.30 0.35 0.03 3.11 1.02 -1.26 -3.15 118.68 112.49 1j7h s LEU 121 Ca -0.04 0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.54 1j7h s LEU 121 Cb 0.11 1.64 -0.02 0.00 0.02 0.00 0.00 46.19 47.94 1j7h s LEU 121 CO 0.37 -0.42 -0.04 -0.70 0.02 0.00 0.00 176.35 175.59 1j7h s GLU 122 N -0.93 0.40 -0.14 1.70 2.12 -1.10 -4.30 118.70 116.45 1j7h s GLU 122 Ca -0.10 -0.73 -0.13 0.00 0.36 0.00 0.00 54.97 54.38 1j7h s GLU 122 Cb -0.04 0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.44 1j7h s GLU 122 CO 0.05 -0.04 0.37 0.96 -0.54 0.00 0.00 175.26 176.06 1j7h s ILE 123 N -1.80 -0.00 0.01 -3.70 -4.36 -0.83 -2.00 121.20 108.52 1j7h s ILE 123 Ca -0.11 0.01 0.01 0.00 -0.26 0.00 0.00 60.65 60.29 1j7h s ILE 123 Cb -0.07 -0.52 -0.01 0.00 1.25 0.00 0.00 42.46 43.11 1j7h s ILE 123 CO -0.02 0.00 -0.02 -1.83 0.24 0.00 0.00 174.94 173.31 1j7h s GLU 124 N 0.28 0.21 0.27 0.37 1.03 -1.11 0.11 118.70 119.86 1j7h s GLU 124 Ca -0.01 -0.23 -0.09 0.00 0.03 0.00 0.00 54.97 54.67 1j7h s GLU 124 Cb -0.03 -0.10 -0.00 0.00 -0.80 0.00 0.00 34.13 33.20 1j7h s GLU 124 CO -0.00 0.02 0.45 0.00 -1.33 0.00 0.00 175.26 174.39 1j7h s ALA 125 N -0.45 0.19 0.14 -0.84 0.00 -1.26 -0.03 121.76 119.51 1j7h s ALA 125 Ca -0.04 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.85 1j7h s ALA 125 Cb -0.03 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 1j7h s ALA 125 CO -0.00 -0.81 -0.18 0.42 0.00 0.00 0.00 175.76 175.19 1j7h s ILE 126 N -3.71 1.72 0.06 0.00 1.01 -1.18 -1.33 121.20 117.78 1j7h s ILE 126 Ca 0.26 -1.80 0.02 0.00 0.00 0.00 0.00 60.65 59.13 1j7h s ILE 126 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1j7h s ILE 126 CO 0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 174.94 174.71 1j7h s ALA 127 N -1.86 0.75 0.33 9.38 0.00 0.12 -1.43 121.76 129.06 1j7h s ALA 127 Ca 0.13 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.22 1j7h s ALA 127 Cb -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1j7h s ALA 127 CO 0.06 -0.06 -0.00 0.14 0.00 0.00 0.00 175.76 175.89 1j7h s VAL 128 N -2.03 2.69 -0.44 0.00 -7.23 -1.10 0.99 120.40 113.28 1j7h s VAL 128 Ca -0.03 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 1j7h s VAL 128 Cb -0.06 -2.77 0.29 0.00 0.56 0.00 0.00 36.38 34.40 1j7h s VAL 128 CO -0.01 -0.23 1.08 -1.14 -0.31 0.00 0.00 175.10 174.50 1j7h n ARG 129 N -0.93 0.72 0.00 4.82 0.63 0.31 -4.78 116.66 117.43 1j7h n ARG 129 Ca -0.04 -1.56 0.03 0.00 -0.92 0.00 0.00 57.85 55.35 1j7h n ARG 129 Cb 0.62 -0.99 0.17 0.00 0.45 0.00 0.00 32.46 32.71 1j7h n ARG 129 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48