#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 1.30 -0.30 0.03 1.00 -1.26 -5.16 119.30 114.92 1j7h s MET 2 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 55.69 53.91 1j7h s MET 2 Cb 0.00 -0.20 0.16 0.00 0.00 0.00 0.00 34.83 34.80 1j7h s MET 2 CO 0.00 -0.26 0.80 0.99 0.00 0.00 0.00 175.02 176.55 1j7h s THR 3 N -3.78 -0.74 0.00 2.05 2.01 -1.17 -4.52 115.64 109.48 1j7h s THR 3 Ca 0.34 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1j7h s THR 3 Cb 0.07 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1j7h s THR 3 CO 0.11 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.04 1j7h n GLN 4 N 5.30 0.00 -1.57 4.92 1.13 0.32 -4.74 117.38 122.74 1j7h n GLN 4 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1j7h n GLN 4 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1j7h n GLN 4 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1j7h n ILE 5 N -0.77 -7.36 -3.55 5.09 2.08 -1.20 -3.32 119.36 110.34 1j7h n ILE 5 Ca 0.00 1.50 -0.24 0.00 0.56 0.00 0.00 62.75 64.57 1j7h n ILE 5 Cb 0.00 -4.34 -0.15 0.00 -0.75 0.00 0.00 39.64 34.40 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1j7h s ILE 6 N -0.27 -0.16 0.23 1.39 1.01 -0.11 -3.86 121.20 119.43 1j7h s ILE 6 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1j7h s ILE 6 Cb 0.00 -0.73 -0.07 0.00 0.01 0.00 0.00 42.46 41.67 1j7h s ILE 6 CO 0.00 -0.40 0.53 -2.28 0.00 0.00 0.00 174.94 172.80 1j7h s HIS 7 N 2.19 3.44 0.18 3.97 2.46 -1.26 -3.10 115.29 123.16 1j7h s HIS 7 Ca 0.05 0.81 -0.24 0.00 0.47 0.00 0.00 55.06 56.15 1j7h s HIS 7 Cb -0.16 -2.21 0.05 0.00 -0.13 0.00 0.00 32.58 30.14 1j7h s HIS 7 CO -0.19 0.27 0.81 -0.08 -2.47 0.00 0.00 174.74 173.08 1j7h s THR 8 N -1.84 0.00 -0.29 0.89 -1.32 -1.26 -4.82 115.64 107.00 1j7h s THR 8 Ca 0.46 -0.59 0.08 0.00 -1.21 0.00 0.00 61.69 60.44 1j7h s THR 8 Cb -0.11 -1.71 0.46 0.00 -1.51 0.00 0.00 72.50 69.63 1j7h s THR 8 CO 0.23 0.00 1.18 1.21 -2.21 0.00 0.00 174.62 175.03 1j7h n GLU 9 N -0.42 3.48 0.00 7.08 2.13 -1.26 -4.71 120.64 126.94 1j7h n GLU 9 Ca -0.07 -4.12 0.00 0.00 0.66 0.00 0.00 57.16 53.63 1j7h n GLU 9 Cb 0.61 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1j7h n GLU 9 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1j7h n LYS 10 N -0.70 0.00 -0.31 5.31 4.81 -1.26 -5.12 118.16 120.89 1j7h n LYS 10 Ca 0.41 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.57 1j7h n LYS 10 Cb 0.96 -0.21 0.27 0.00 0.02 0.00 0.00 35.03 36.07 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j7h n ALA 11 N -2.08 -4.32 0.19 3.14 0.00 -1.26 -4.83 120.51 111.36 1j7h n ALA 11 Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 53.44 51.78 1j7h n ALA 11 Cb 0.00 -1.58 0.31 0.00 0.00 0.00 0.00 19.45 18.19 1j7h n ALA 11 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1j7h n PRO 12 N -5.14 0.07 -0.32 0.00 -0.02 -1.26 -4.97 135.00 123.36 1j7h n PRO 12 Ca 0.10 0.49 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 1j7h n PRO 12 Cb 0.56 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.63 -0.80 -3.42 3.55 0.00 -1.26 -4.96 120.51 111.98 1j7h n ALA 13 Ca 0.00 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1j7h n ALA 13 Cb 0.07 -0.57 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.94 2.62 0.00 0.00 0.00 -1.26 -4.80 121.76 114.38 1j7h s ALA 14 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1j7h s ALA 14 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1j7h s ALA 14 CO 0.00 -0.10 0.83 -0.89 0.00 0.00 0.00 175.76 175.60 1j7h n ILE 15 N 4.18 0.00 0.00 0.00 2.08 -1.26 -4.90 119.36 119.46 1j7h n ILE 15 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 1j7h n ILE 15 Cb 0.52 0.64 0.00 0.00 -0.75 0.00 0.00 39.64 40.05 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 0.00 4.44 1.14 7.39 0.00 -1.26 -5.00 105.19 111.90 1j7h n GLY 16 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 2.38 -3.72 1.61 -0.04 -1.26 -4.88 135.00 129.09 1j7h n PRO 17 Ca 0.00 -1.26 -0.11 0.00 -0.04 0.00 0.00 63.50 62.08 1j7h n PRO 17 Cb 0.00 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 31.64 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 -1.64 -0.14 0.28 0.54 1.13 -1.26 -5.17 117.35 111.09 1j7h s TYR 18 Ca 0.22 -0.02 0.06 0.00 -1.41 0.00 0.00 57.07 55.92 1j7h s TYR 18 Cb 0.17 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 41.15 1j7h s TYR 18 CO 0.06 -0.55 0.39 0.14 -2.51 0.00 0.00 175.55 173.08 1j7h s VAL 19 N -2.82 4.65 0.30 -3.49 -7.23 -1.26 -4.27 120.40 106.28 1j7h s VAL 19 Ca -0.03 -1.04 0.06 0.00 -1.81 0.00 0.00 61.98 59.17 1j7h s VAL 19 Cb 0.00 -3.62 0.30 0.00 0.56 0.00 0.00 36.38 33.62 1j7h s VAL 19 CO -0.05 -0.25 1.69 1.56 -0.31 0.00 0.00 175.10 177.74 1j7h h GLN 20 N 1.08 0.40 0.00 4.82 4.20 -1.87 -3.45 115.11 120.28 1j7h h GLN 20 Ca -0.49 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.28 1j7h h GLN 20 Cb 1.24 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1j7h h GLN 20 CO 0.57 0.26 0.43 0.00 -0.67 0.00 0.00 178.83 179.43 1j7h n ALA 21 N -2.45 -2.10 -3.70 3.87 0.00 -1.18 -4.14 120.51 110.82 1j7h n ALA 21 Ca 0.24 -0.96 -0.19 0.00 0.00 0.00 0.00 53.44 52.53 1j7h n ALA 21 Cb 0.72 0.62 -0.17 0.00 0.00 0.00 0.00 19.45 20.62 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 -2.15 0.29 -0.54 0.00 -7.23 -0.93 -0.93 120.40 108.91 1j7h s VAL 22 Ca 0.18 0.06 -0.06 0.00 -1.81 0.00 0.00 61.98 60.35 1j7h s VAL 22 Cb -0.03 -0.39 0.14 0.00 0.56 0.00 0.00 36.38 36.66 1j7h s VAL 22 CO 0.07 0.19 0.39 -0.62 -0.31 0.00 0.00 175.10 174.81 1j7h s ASP 23 N 1.26 5.57 0.14 4.85 -1.08 -1.21 -1.87 116.67 124.33 1j7h s ASP 23 Ca -0.06 -2.31 0.22 0.00 -0.52 0.00 0.00 52.55 49.88 1j7h s ASP 23 Cb -0.13 -1.94 0.88 0.00 -1.46 0.00 0.00 42.92 40.27 1j7h s ASP 23 CO -0.02 -0.55 1.68 -0.11 0.52 0.00 0.00 175.17 176.69 1j7h n LEU 24 N 4.30 0.42 -0.19 -1.34 -0.00 -1.20 0.12 117.00 119.11 1j7h n LEU 24 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.60 1j7h n LEU 24 Cb 0.41 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1j7h n LEU 24 CO 0.37 -0.33 0.00 0.61 -0.00 0.00 0.00 177.39 178.04 1j7h n GLY 25 N 0.43 0.03 3.18 -3.96 0.00 -1.26 -4.44 105.19 99.17 1j7h n GLY 25 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1j7h n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j7h n ASN 26 N 0.00 0.00 -3.92 1.61 4.13 -1.26 -4.85 115.26 110.97 1j7h n ASN 26 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 1j7h n ASN 26 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 1j7h n ASN 26 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1j7h s LEU 27 N 0.00 3.78 0.55 3.41 2.96 -1.26 -0.17 118.68 127.95 1j7h s LEU 27 Ca 0.00 -1.93 -0.02 0.00 -0.22 0.00 0.00 54.13 51.97 1j7h s LEU 27 Cb 0.00 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.37 1j7h s LEU 27 CO 0.00 -0.38 0.81 0.68 -1.32 0.00 0.00 176.35 176.13 1j7h s VAL 28 N 1.17 3.26 -0.16 1.68 -7.23 0.31 -3.21 120.40 116.23 1j7h s VAL 28 Ca 0.10 -0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 1j7h s VAL 28 Cb -0.18 -3.26 0.05 0.00 0.56 0.00 0.00 36.38 33.54 1j7h s VAL 28 CO -0.14 -0.21 0.40 -0.76 -0.31 0.00 0.00 175.10 174.08 1j7h s LEU 29 N -4.82 0.30 -0.10 1.32 1.02 -0.78 -1.16 118.68 114.45 1j7h s LEU 29 Ca 0.54 0.83 -0.02 0.00 0.02 0.00 0.00 54.13 55.50 1j7h s LEU 29 Cb -0.10 1.36 -0.03 0.00 0.02 0.00 0.00 46.19 47.43 1j7h s LEU 29 CO 0.41 -0.16 -0.03 0.42 0.02 0.00 0.00 176.35 177.01 1j7h s THR 30 N 0.58 4.01 1.03 5.49 -4.23 -0.42 -2.18 115.64 119.92 1j7h s THR 30 Ca -0.03 -0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 60.00 1j7h s THR 30 Cb -0.05 -2.69 0.20 0.00 1.34 0.00 0.00 72.50 71.30 1j7h s THR 30 CO -0.04 0.57 1.10 -0.55 -0.54 0.00 0.00 174.62 175.16 1j7h s SER 31 N -0.45 2.38 -0.97 3.99 0.15 -1.26 -3.75 113.70 113.79 1j7h s SER 31 Ca 0.07 1.04 -0.25 0.00 0.70 0.00 0.00 55.95 57.51 1j7h s SER 31 Cb -0.12 -1.63 -0.14 0.00 -1.71 0.00 0.00 66.02 62.42 1j7h s SER 31 CO 0.02 -3.26 2.14 -0.83 1.20 0.00 0.00 173.24 172.51 1j7h s GLY 32 N -3.60 -0.54 1.20 9.45 0.00 -1.24 -4.32 107.32 108.27 1j7h s GLY 32 Ca 0.66 -1.40 -0.15 0.00 0.00 0.00 0.00 44.72 43.83 1j7h s GLY 32 CO 0.57 3.98 1.02 1.20 0.00 0.00 0.00 173.10 179.87 1j7h s GLN 33 N 7.94 -1.21 -0.06 2.90 1.11 0.32 -4.66 119.66 125.99 1j7h s GLN 33 Ca 0.80 0.53 -0.20 0.00 0.01 0.00 0.00 55.36 56.49 1j7h s GLN 33 Cb -0.07 -1.55 0.04 0.00 -1.01 0.00 0.00 33.01 30.43 1j7h s GLN 33 CO 0.10 -3.83 0.47 0.96 0.01 0.00 0.00 175.29 173.00 1j7h s ILE 34 N -2.56 0.03 -0.44 1.08 -4.36 -1.26 -2.29 121.20 111.39 1j7h s ILE 34 Ca 0.68 -0.22 -0.03 0.00 -0.26 0.00 0.00 60.65 60.82 1j7h s ILE 34 Cb -0.20 -0.75 -0.05 0.00 1.25 0.00 0.00 42.46 42.70 1j7h s ILE 34 CO 0.61 -0.12 1.70 -2.65 0.24 0.00 0.00 174.94 174.73 1j7h n PRO 35 N 1.51 1.19 -1.72 0.37 -0.02 -1.26 -4.72 135.00 130.35 1j7h n PRO 35 Ca -0.19 -0.92 -0.18 0.00 -2.02 0.00 0.00 63.50 60.19 1j7h n PRO 35 Cb 0.56 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.52 3.15 -0.00 -1.45 1.01 -1.16 -2.79 120.40 122.68 1j7h s VAL 36 Ca 0.25 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1j7h s VAL 36 Cb 0.08 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.63 1j7h s VAL 36 CO -0.02 -0.30 0.81 -3.20 0.00 0.00 0.00 175.10 172.40 1j7h n ASN 37 N 17.76 0.00 0.02 3.32 2.85 -1.25 -4.46 115.26 133.50 1j7h n ASN 37 Ca 0.44 0.88 0.07 0.00 -0.11 0.00 0.00 54.58 55.86 1j7h n ASN 37 Cb 0.45 -0.69 0.32 0.00 1.24 0.00 0.00 39.78 41.10 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 1.16 0.02 -0.00 1.20 -0.04 -1.26 0.19 135.00 136.26 1j7h n PRO 38 Ca 0.15 0.28 0.01 0.00 -0.04 0.00 0.00 63.50 63.91 1j7h n PRO 38 Cb 0.06 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.54 2.08 -0.01 0.55 0.00 -1.26 -4.75 120.51 115.58 1j7h n ALA 39 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1j7h n ALA 39 Cb 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 1j7h n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j7h n THR 40 N -1.66 0.19 -3.02 0.00 -1.04 -1.15 -5.05 114.28 102.54 1j7h n THR 40 Ca -0.01 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1j7h n THR 40 Cb 0.14 -0.27 0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1j7h n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j7h n GLY 41 N 2.43 -0.56 0.00 3.41 0.00 0.49 -4.88 105.19 106.09 1j7h n GLY 41 Ca -0.05 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.17 0.00 -3.15 1.61 0.28 -1.26 -4.73 120.64 110.22 1j7h n GLU 42 Ca -0.13 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 56.93 1j7h n GLU 42 Cb 0.61 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.47 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 -0.31 0.38 3.84 0.11 -1.12 -2.99 120.40 120.32 1j7h s VAL 43 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1j7h s VAL 43 Cb 0.00 -0.78 -0.11 0.00 -1.53 0.00 0.00 36.38 33.96 1j7h s VAL 43 CO 0.00 0.00 1.28 -2.65 -3.33 0.00 0.00 175.10 170.40 1j7h n PRO 44 N 5.37 2.03 0.14 1.54 -0.02 -1.25 -4.89 135.00 137.92 1j7h n PRO 44 Ca -0.02 0.72 0.03 0.00 -2.02 0.00 0.00 63.50 62.21 1j7h n PRO 44 Cb 0.55 -2.36 0.43 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.31 1.59 -0.71 3.55 0.00 -2.00 -3.40 119.26 120.60 1j7h h ALA 45 Ca -0.47 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.05 1j7h h ALA 45 Cb 1.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1j7h h ALA 45 CO 0.61 0.30 0.59 -0.51 0.00 0.00 0.00 179.25 180.24 1j7h s ASP 46 N -6.90 4.63 0.49 0.00 1.11 -1.26 -4.78 116.67 109.95 1j7h s ASP 46 Ca -0.05 -0.19 0.39 0.00 0.18 0.00 0.00 52.55 52.89 1j7h s ASP 46 Cb 0.16 -2.55 1.59 0.00 1.07 0.00 0.00 42.92 43.18 1j7h s ASP 46 CO 0.72 -3.15 1.59 0.40 1.18 0.00 0.00 175.17 175.91 1j7h h ILE 47 N 7.42 0.04 0.10 0.77 1.08 -1.98 0.96 117.51 125.89 1j7h h ILE 47 Ca 0.00 -0.01 -0.19 0.00 -0.39 0.00 0.00 64.86 64.28 1j7h h ILE 47 Cb 1.04 0.02 0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1j7h h ILE 47 CO 1.13 0.00 -0.80 0.58 -0.69 0.00 0.00 178.15 178.37 1j7h h VAL 48 N 0.02 1.46 -0.16 1.67 2.07 -1.93 -1.71 116.25 117.67 1j7h h VAL 48 Ca 0.89 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1j7h h VAL 48 Cb 3.16 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 35.89 1j7h h VAL 48 CO -0.27 0.69 0.03 0.00 0.02 0.00 0.00 177.57 178.04 1j7h h ALA 49 N 0.17 0.21 -0.15 1.67 0.00 0.32 -0.60 119.26 120.88 1j7h h ALA 49 Ca -0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1j7h h ALA 49 Cb 1.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1j7h h ALA 49 CO 0.15 -0.13 -0.29 -0.56 0.00 0.00 0.00 179.25 178.42 1j7h h GLN 50 N 0.04 0.29 -0.05 0.00 3.07 -0.35 -1.29 115.11 116.81 1j7h h GLN 50 Ca 0.05 -0.11 -0.12 0.00 0.09 0.00 0.00 58.65 58.56 1j7h h GLN 50 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 1j7h h GLN 50 CO 0.00 0.56 -0.52 0.00 0.09 0.00 0.00 178.83 178.96 1j7h h ALA 51 N 1.45 1.05 0.10 0.06 0.00 -1.08 -1.96 119.26 118.87 1j7h h ALA 51 Ca 0.04 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 1j7h h ALA 51 Cb 0.65 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.37 1j7h h ALA 51 CO 0.05 0.66 -0.99 -0.09 0.00 0.00 0.00 179.25 178.88 1j7h h ARG 52 N 0.10 0.50 -0.69 0.00 1.12 -0.70 -3.11 114.38 111.59 1j7h h ARG 52 Ca 0.00 -0.67 -0.04 0.00 -1.11 0.00 0.00 59.98 58.16 1j7h h ARG 52 Cb 0.95 0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 31.10 1j7h h ARG 52 CO 0.07 1.28 0.26 1.96 -3.11 0.00 0.00 179.97 180.44 1j7h h GLN 53 N 0.03 1.05 -0.64 0.20 7.50 -1.22 -2.18 115.11 119.85 1j7h h GLN 53 Ca -0.15 -0.20 0.00 0.00 0.50 0.00 0.00 58.65 58.80 1j7h h GLN 53 Cb 1.71 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 29.04 1j7h h GLN 53 CO 0.19 0.88 0.40 1.03 -1.50 0.00 0.00 178.83 179.83 1j7h h SER 54 N 0.99 0.75 -0.05 1.46 0.87 -1.44 -1.02 113.55 115.12 1j7h h SER 54 Ca 0.23 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1j7h h SER 54 Cb 0.23 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1j7h h SER 54 CO -0.02 0.56 -0.41 -0.07 -0.53 0.00 0.00 176.83 176.37 1j7h h LEU 55 N 0.87 0.61 -0.42 2.23 3.38 -1.38 -2.37 115.31 118.23 1j7h h LEU 55 Ca 0.23 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1j7h h LEU 55 Cb -0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1j7h h LEU 55 CO -0.05 0.94 -0.26 -0.08 0.09 0.00 0.00 178.44 179.08 1j7h h GLU 56 N 0.47 0.92 -0.32 1.13 4.57 -0.74 -1.85 114.58 118.76 1j7h h GLU 56 Ca 0.04 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 1j7h h GLU 56 Cb 0.91 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1j7h h GLU 56 CO 0.08 1.09 0.12 -0.91 -1.18 0.00 0.00 179.01 178.20 1j7h h ASN 57 N 0.75 0.45 -0.33 1.04 4.21 -1.14 0.85 115.58 121.40 1j7h h ASN 57 Ca 0.09 -0.18 -0.05 0.00 1.21 0.00 0.00 56.30 57.37 1j7h h ASN 57 Cb 0.84 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.91 1j7h h ASN 57 CO 0.07 0.51 0.06 0.58 -1.29 0.00 0.00 177.43 177.36 1j7h h VAL 58 N 0.37 1.20 0.09 2.81 2.07 -1.40 -2.43 116.25 118.97 1j7h h VAL 58 Ca 0.11 -0.78 -0.26 0.00 0.82 0.00 0.00 66.70 66.59 1j7h h VAL 58 Cb 0.20 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1j7h h VAL 58 CO -0.01 0.28 -1.21 0.50 0.02 0.00 0.00 177.57 177.15 1j7h h LYS 59 N 0.62 0.20 -0.92 1.57 3.64 -1.02 -3.09 116.57 117.57 1j7h h LYS 59 Ca 0.14 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1j7h h LYS 59 Cb 0.30 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1j7h h LYS 59 CO 0.00 1.15 0.61 0.00 -2.27 0.00 0.00 179.45 178.94 1j7h h ALA 60 N 0.69 1.35 -0.12 5.00 0.00 0.11 0.74 119.26 127.03 1j7h h ALA 60 Ca -0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1j7h h ALA 60 Cb 1.92 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1j7h h ALA 60 CO 0.18 0.60 -0.14 0.82 0.00 0.00 0.00 179.25 180.70 1j7h h ILE 61 N 1.23 1.37 -0.11 0.00 2.04 -1.52 -0.24 117.51 120.28 1j7h h ILE 61 Ca 0.34 -1.34 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 1j7h h ILE 61 Cb -0.13 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1j7h h ILE 61 CO -0.08 0.39 -0.33 0.40 0.00 0.00 0.00 178.15 178.54 1j7h h ILE 62 N -0.10 1.27 -0.19 -0.67 2.04 -1.39 -2.51 117.51 115.95 1j7h h ILE 62 Ca 0.01 -1.29 -0.18 0.00 1.00 0.00 0.00 64.86 64.41 1j7h h ILE 62 Cb 0.69 1.55 0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1j7h h ILE 62 CO 0.03 0.39 -0.58 -0.08 0.00 0.00 0.00 178.15 177.91 1j7h h GLU 63 N 0.19 0.73 0.00 2.37 4.81 0.56 -1.43 114.58 121.81 1j7h h GLU 63 Ca 0.02 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1j7h h GLU 63 Cb 0.67 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1j7h h GLU 63 CO 0.05 1.15 0.00 -0.22 -0.73 0.00 0.00 179.01 179.26 1j7h h LYS 64 N 0.44 0.00 0.03 1.92 3.11 -0.82 -2.07 116.57 119.18 1j7h h LYS 64 Ca -0.02 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.53 1j7h h LYS 64 Cb 1.20 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.40 1j7h h LYS 64 CO 0.12 0.00 -1.63 0.00 -2.81 0.00 0.00 179.45 175.13 1j7h h ALA 65 N 2.04 0.60 0.00 5.00 0.00 -1.21 -3.49 119.26 122.21 1j7h h ALA 65 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.57 1j7h h ALA 65 Cb 0.23 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1j7h h ALA 65 CO 0.00 1.44 0.00 0.41 0.00 0.00 0.00 179.25 181.10 1j7h n GLY 66 N 1.61 1.00 0.00 0.00 0.00 -0.78 -5.11 105.19 101.91 1j7h n GLY 66 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1j7h n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j7h n LEU 67 N 0.00 0.00 -3.92 0.99 4.77 -0.59 -5.02 117.00 113.24 1j7h n LEU 67 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1j7h n LEU 67 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1j7h n LEU 67 CO 0.00 0.00 -0.08 0.42 -1.33 0.00 0.00 177.39 176.40 1j7h s THR 68 N -2.39 0.11 0.42 -5.08 -4.23 -1.26 -4.03 115.64 99.18 1j7h s THR 68 Ca 0.00 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 1j7h s THR 68 Cb 0.00 -1.57 0.26 0.00 1.34 0.00 0.00 72.50 72.53 1j7h s THR 68 CO 0.00 -0.51 2.06 0.00 -0.54 0.00 0.00 174.62 175.63 1j7h h ALA 69 N 2.69 1.72 -0.57 3.99 0.00 -1.96 -1.56 119.26 123.57 1j7h h ALA 69 Ca -0.33 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.67 1j7h h ALA 69 Cb 1.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1j7h h ALA 69 CO 0.54 0.25 0.39 0.00 0.00 0.00 0.00 179.25 180.43 1j7h h ALA 70 N 1.76 2.26 0.00 0.00 0.00 -1.90 0.17 119.26 121.55 1j7h h ALA 70 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1j7h h ALA 70 Cb -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1j7h h ALA 70 CO -0.03 -0.41 -0.04 -0.44 0.00 0.00 0.00 179.25 178.33 1j7h h ASP 71 N 0.20 0.00 -1.31 0.00 3.32 -1.59 -3.44 116.42 113.60 1j7h h ASP 71 Ca 0.27 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.55 1j7h h ASP 71 Cb 0.79 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.35 1j7h h ASP 71 CO -0.05 0.04 0.90 -0.38 -1.72 0.00 0.00 179.24 178.04 1j7h n ILE 72 N -3.13 0.21 0.02 0.35 5.41 0.60 -2.84 119.36 119.99 1j7h n ILE 72 Ca 0.02 -0.05 -0.20 0.00 1.00 0.00 0.00 62.75 63.53 1j7h n ILE 72 Cb 0.44 -1.04 -0.14 0.00 -0.71 0.00 0.00 39.64 38.19 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 5.37 1.44 -4.11 1.39 -1.51 -1.21 -3.36 116.25 114.27 1j7h h VAL 73 Ca -0.43 -2.48 -0.15 0.00 -1.23 0.00 0.00 66.70 62.41 1j7h h VAL 73 Cb 1.34 3.11 -0.15 0.00 -2.13 0.00 0.00 31.29 33.46 1j7h h VAL 73 CO 0.98 0.69 -0.69 -0.75 -1.23 0.00 0.00 177.57 176.57 1j7h s LYS 74 N -2.41 0.67 -0.05 5.19 2.20 -1.19 -0.33 119.74 123.82 1j7h s LYS 74 Ca -0.16 -1.24 -0.09 0.00 -0.36 0.00 0.00 55.97 54.12 1j7h s LYS 74 Cb 0.01 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1j7h s LYS 74 CO 0.80 -0.08 0.22 0.99 -0.36 0.00 0.00 175.35 176.91 1j7h s THR 75 N -3.78 0.03 -0.02 3.43 2.01 0.27 -0.03 115.64 117.56 1j7h s THR 75 Ca 0.08 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1j7h s THR 75 Cb 0.07 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.17 1j7h s THR 75 CO -0.08 -0.16 -0.07 -0.89 -0.69 0.00 0.00 174.62 172.73 1j7h s THR 76 N -0.58 0.58 -0.11 -0.82 2.01 0.56 -1.07 115.64 116.22 1j7h s THR 76 Ca -0.07 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 1j7h s THR 76 Cb -0.04 -0.53 0.06 0.00 0.01 0.00 0.00 72.50 72.00 1j7h s THR 76 CO 0.01 0.19 0.23 -0.69 -0.69 0.00 0.00 174.62 173.67 1j7h s VAL 77 N 0.16 -0.30 -0.06 3.82 1.01 -1.19 -0.51 120.40 123.34 1j7h s VAL 77 Ca -0.02 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1j7h s VAL 77 Cb -0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 1j7h s VAL 77 CO -0.00 0.11 0.56 -0.36 0.00 0.00 0.00 175.10 175.41 1j7h s PHE 78 N 2.14 3.60 0.12 5.22 0.08 -0.85 -2.70 117.98 125.59 1j7h s PHE 78 Ca -0.01 1.07 0.09 0.00 0.12 0.00 0.00 56.93 58.21 1j7h s PHE 78 Cb -0.12 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 1j7h s PHE 78 CO -0.08 0.24 -0.20 0.14 -0.10 0.00 0.00 175.22 175.23 1j7h s VAL 79 N 0.27 2.73 -1.90 -0.44 -7.23 -0.33 -1.68 120.40 111.82 1j7h s VAL 79 Ca 0.30 -1.54 0.23 0.00 -1.81 0.00 0.00 61.98 59.16 1j7h s VAL 79 Cb -0.17 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1j7h s VAL 79 CO 0.14 0.11 1.16 0.29 -0.31 0.00 0.00 175.10 176.49 1j7h n LYS 80 N 0.85 1.04 -3.23 4.82 5.02 -1.18 -1.71 118.16 123.78 1j7h n LYS 80 Ca -0.16 -0.83 -0.03 0.00 -2.02 0.00 0.00 58.31 55.27 1j7h n LYS 80 Cb 0.53 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1j7h n LYS 80 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j7h s ASP 81 N -2.53 -0.68 0.57 4.39 1.01 -1.26 -4.97 116.67 113.19 1j7h s ASP 81 Ca 0.19 -0.39 0.33 0.00 0.71 0.00 0.00 52.55 53.38 1j7h s ASP 81 Cb 0.18 1.57 1.78 0.00 1.01 0.00 0.00 42.92 47.46 1j7h s ASP 81 CO 0.59 -0.28 1.99 -0.07 0.21 0.00 0.00 175.17 177.60 1j7h h LEU 82 N 7.74 0.00 -0.66 1.23 3.38 -1.97 0.26 115.31 125.30 1j7h h LEU 82 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1j7h h LEU 82 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1j7h h LEU 82 CO 0.18 0.00 -0.20 0.78 0.09 0.00 0.00 178.44 179.29 1j7h h ASN 83 N 0.00 0.00 1.53 -0.43 2.35 -2.00 -2.97 115.58 114.05 1j7h h ASN 83 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1j7h h ASN 83 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1j7h h ASN 83 CO 0.00 0.20 -0.48 0.44 -1.65 0.00 0.00 177.43 175.94 1j7h h ASP 84 N 0.00 0.00 -0.23 5.81 3.32 -0.90 -3.30 116.42 121.12 1j7h h ASP 84 Ca -0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1j7h h ASP 84 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1j7h h ASP 84 CO 0.03 0.04 0.33 0.15 -1.72 0.00 0.00 179.24 178.07 1j7h h PHE 85 N 0.00 0.00 -0.68 4.55 3.57 -1.48 -0.45 116.94 122.45 1j7h h PHE 85 Ca -0.01 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1j7h h PHE 85 Cb 1.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1j7h h PHE 85 CO 0.00 0.00 0.45 0.00 -2.23 0.00 0.00 178.31 176.53 1j7h h ALA 86 N 1.55 1.75 0.08 2.41 0.00 -1.75 0.84 119.26 124.14 1j7h h ALA 86 Ca 0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 1j7h h ALA 86 Cb 0.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j7h h ALA 86 CO -0.00 0.14 -1.74 0.00 0.00 0.00 0.00 179.25 177.65 1j7h h ALA 87 N 1.63 0.50 -0.24 0.00 0.00 -1.36 -3.13 119.26 116.66 1j7h h ALA 87 Ca 0.29 -1.32 -0.17 0.00 0.00 0.00 0.00 54.91 53.71 1j7h h ALA 87 Cb 0.27 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1j7h h ALA 87 CO -0.09 1.35 -0.52 0.28 0.00 0.00 0.00 179.25 180.27 1j7h h VAL 88 N 0.05 1.29 -0.41 0.00 2.07 -1.22 -2.33 116.25 115.71 1j7h h VAL 88 Ca -0.31 -1.72 -0.12 0.00 0.82 0.00 0.00 66.70 65.37 1j7h h VAL 88 Cb 2.02 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1j7h h VAL 88 CO 0.11 0.55 -0.23 -1.13 0.02 0.00 0.00 177.57 176.89 1j7h h ASN 89 N 0.51 0.83 -0.27 0.57 -1.24 0.53 0.89 115.58 117.41 1j7h h ASN 89 Ca 0.00 -0.30 -0.09 0.00 0.71 0.00 0.00 56.30 56.61 1j7h h ASN 89 Cb 1.13 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.94 1j7h h ASN 89 CO 0.11 1.03 -0.14 0.00 -1.29 0.00 0.00 177.43 177.14 1j7h h ALA 90 N 1.03 1.03 0.00 1.57 0.00 -1.53 -2.23 119.26 119.13 1j7h h ALA 90 Ca 0.10 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1j7h h ALA 90 Cb 0.75 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1j7h h ALA 90 CO 0.06 0.59 -1.33 1.49 0.00 0.00 0.00 179.25 180.05 1j7h h GLU 91 N 0.63 0.00 -0.39 0.00 4.22 -1.24 -3.02 114.58 114.78 1j7h h GLU 91 Ca 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.46 1j7h h GLU 91 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1j7h h GLU 91 CO 0.04 0.34 -0.09 -0.92 -2.18 0.00 0.00 179.01 176.20 1j7h h TYR 92 N 0.00 0.83 0.02 0.92 3.20 0.95 -2.33 116.97 120.57 1j7h h TYR 92 Ca -0.15 -0.18 -0.23 0.00 3.14 0.00 0.00 58.73 61.31 1j7h h TYR 92 Cb 1.60 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 1j7h h TYR 92 CO 0.00 0.87 -1.10 1.49 -1.64 0.00 0.00 178.16 177.78 1j7h h GLU 93 N 0.55 0.05 0.00 1.82 4.22 -1.55 -3.12 114.58 116.53 1j7h h GLU 93 Ca 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1j7h h GLU 93 Cb 0.60 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1j7h h GLU 93 CO 0.04 1.00 0.00 -0.09 -2.18 0.00 0.00 179.01 177.77 1j7h h ARG 94 N 0.01 0.00 0.07 1.92 9.65 -1.50 -3.13 114.38 121.41 1j7h h ARG 94 Ca -0.06 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.48 1j7h h ARG 94 Cb 1.82 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.37 1j7h h ARG 94 CO 0.14 0.00 -1.95 1.97 2.80 0.00 0.00 179.97 182.93 1j7h n PHE 95 N -2.92 1.07 0.34 2.20 1.16 -0.88 -3.14 117.46 115.29 1j7h n PHE 95 Ca 0.01 0.27 -0.18 0.00 -1.87 0.00 0.00 57.45 55.69 1j7h n PHE 95 Cb 0.33 -1.16 -0.09 0.00 -1.61 0.00 0.00 39.48 36.95 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 0.04 -1.23 0.00 2.97 -1.00 -1.50 0.40 116.94 116.63 1j7h h PHE 96 Ca -0.39 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.36 1j7h h PHE 96 Cb 2.03 0.46 -0.00 0.00 3.61 0.00 0.00 35.95 42.05 1j7h h PHE 96 CO 0.05 -0.65 -0.14 -0.22 -1.61 0.00 0.00 178.31 175.74 1j7h h LYS 97 N -1.02 0.00 0.00 1.51 1.63 -1.71 1.20 116.57 118.18 1j7h h LYS 97 Ca -0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1j7h h LYS 97 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1j7h h LYS 97 CO 0.01 0.14 0.00 0.39 -3.45 0.00 0.00 179.45 176.54 1j7h n GLU 98 N -4.21 0.07 0.00 1.90 1.02 -0.70 -2.68 120.64 116.05 1j7h n GLU 98 Ca -0.02 0.14 0.05 0.00 -0.02 0.00 0.00 57.16 57.30 1j7h n GLU 98 Cb 0.21 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1j7h n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j7h n ASN 99 N -1.73 1.14 -0.18 1.62 5.03 0.13 -4.98 115.26 116.29 1j7h n ASN 99 Ca 0.06 -1.07 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1j7h n ASN 99 Cb 0.31 0.50 0.00 0.00 -1.02 0.00 0.00 39.78 39.58 1j7h n ASN 99 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1j7h n ASN 100 N -0.32 -0.90 -2.71 6.41 5.15 0.44 -4.89 115.26 118.45 1j7h n ASN 100 Ca 0.04 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.73 1j7h n ASN 100 Cb 0.20 -0.27 -0.00 0.00 -0.53 0.00 0.00 39.78 39.18 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 -1.77 3.49 0.64 1.20 8.25 0.39 -4.66 115.22 122.75 1j7h n HIS 101 Ca 0.00 -3.20 0.11 0.00 -0.26 0.00 0.00 57.72 54.37 1j7h n HIS 101 Cb 0.27 -0.37 0.45 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.41 0.09 -0.17 -0.41 -0.04 -1.26 -3.41 135.00 129.40 1j7h n PRO 102 Ca 0.39 0.21 0.21 0.00 -0.04 0.00 0.00 63.50 64.27 1j7h n PRO 102 Cb 0.52 -1.64 0.59 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.24 -4.91 3.54 -1.24 -1.87 -3.47 115.58 107.87 1j7h h ASN 103 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1j7h h ASN 103 Cb 0.44 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1j7h h ASN 103 CO 0.00 0.10 -0.84 0.49 -1.29 0.00 0.00 177.43 175.89 1j7h n PHE 104 N -4.42 -3.54 -1.69 0.67 3.72 -1.22 -4.98 117.46 106.01 1j7h n PHE 104 Ca 0.16 1.55 -0.33 0.00 -0.05 0.00 0.00 57.45 58.79 1j7h n PHE 104 Cb 0.70 -3.76 0.05 0.00 -0.94 0.00 0.00 39.48 35.54 1j7h n PHE 104 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1j7h s PRO 105 N -1.55 2.71 0.87 -1.08 0.02 -1.26 -4.98 135.00 129.74 1j7h s PRO 105 Ca 0.02 1.37 -0.14 0.00 0.02 0.00 0.00 61.00 62.28 1j7h s PRO 105 Cb -0.01 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1j7h s PRO 105 CO 0.70 -1.32 0.43 0.00 -0.33 0.00 0.00 177.00 176.48 1j7h n ALA 106 N -2.56 -2.26 -2.48 -1.55 0.00 0.55 -4.57 120.51 107.63 1j7h n ALA 106 Ca 0.10 -0.48 -0.25 0.00 0.00 0.00 0.00 53.44 52.81 1j7h n ALA 106 Cb 0.52 -1.81 -0.12 0.00 0.00 0.00 0.00 19.45 18.04 1j7h n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j7h s ARG 107 N -3.29 1.24 -0.46 0.00 1.81 -1.25 0.98 118.95 117.98 1j7h s ARG 107 Ca 0.60 -1.27 0.06 0.00 -1.72 0.00 0.00 55.73 53.40 1j7h s ARG 107 Cb -0.26 -1.54 0.32 0.00 -0.45 0.00 0.00 34.95 33.02 1j7h s ARG 107 CO 0.64 0.35 1.13 0.45 -0.68 0.00 0.00 175.30 177.19 1j7h n SER 108 N 0.87 -2.33 -4.85 0.23 2.88 -0.23 -4.89 113.62 105.29 1j7h n SER 108 Ca -0.18 -3.67 -0.36 0.00 -1.33 0.00 0.00 58.87 53.33 1j7h n SER 108 Cb 0.54 1.92 -0.06 0.00 -0.75 0.00 0.00 64.21 65.86 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 -1.10 0.08 -0.74 0.00 -7.23 -1.10 -4.95 120.40 105.36 1j7h s VAL 110 Ca 0.18 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.48 1j7h s VAL 110 Cb -0.12 -1.11 0.05 0.00 0.56 0.00 0.00 36.38 35.76 1j7h s VAL 110 CO 0.08 -0.34 1.17 -0.70 -0.31 0.00 0.00 175.10 174.99 1j7h s GLU 111 N -3.34 3.22 0.53 4.82 2.12 -1.26 -1.19 118.70 123.60 1j7h s GLU 111 Ca 0.00 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.62 1j7h s GLU 111 Cb 0.01 -4.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.02 1j7h s GLU 111 CO -0.09 -2.01 0.89 0.14 -0.54 0.00 0.00 175.26 173.66 1j7h s VAL 112 N 4.87 4.80 0.09 3.70 -7.23 -0.69 -4.95 120.40 120.99 1j7h s VAL 112 Ca 0.31 0.55 -0.20 0.00 -1.81 0.00 0.00 61.98 60.83 1j7h s VAL 112 Cb -0.10 -3.85 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 1j7h s VAL 112 CO 0.10 -0.93 1.62 0.00 -0.31 0.00 0.00 175.10 175.57 1j7h h ALA 113 N 0.13 0.22 -2.94 1.32 0.00 -1.95 -3.42 119.26 112.61 1j7h h ALA 113 Ca -0.46 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 1j7h h ALA 113 Cb 1.20 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1j7h h ALA 113 CO 0.62 -0.18 -0.03 0.50 0.00 0.00 0.00 179.25 180.15 1j7h s ARG 114 N -5.54 1.98 0.05 0.00 3.52 -1.26 -5.04 118.95 112.66 1j7h s ARG 114 Ca -0.14 -1.61 -0.07 0.00 -0.13 0.00 0.00 55.73 53.79 1j7h s ARG 114 Cb 0.07 0.51 -0.01 0.00 -1.56 0.00 0.00 34.95 33.96 1j7h s ARG 114 CO 0.70 -0.86 0.14 -0.51 -0.81 0.00 0.00 175.30 173.96 1j7h s LEU 115 N -3.16 1.62 0.30 -0.88 1.43 -1.26 -5.08 118.68 111.64 1j7h s LEU 115 Ca 0.25 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1j7h s LEU 115 Cb -0.02 0.78 -0.12 0.00 0.03 0.00 0.00 46.19 46.86 1j7h s LEU 115 CO 0.16 -0.57 1.52 -0.81 0.23 0.00 0.00 176.35 176.88 1j7h n PRO 116 N 0.57 2.51 -1.16 1.29 -0.04 -1.26 -1.62 135.00 135.29 1j7h n PRO 116 Ca -0.18 0.89 -0.06 0.00 -0.04 0.00 0.00 63.50 64.11 1j7h n PRO 116 Cb 0.59 -2.62 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1j7h n PRO 116 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j7h n LYS 117 N 1.76 -0.63 -1.41 0.54 3.00 -1.26 -2.70 118.16 117.46 1j7h n LYS 117 Ca 0.08 0.60 -0.14 0.00 -0.00 0.00 0.00 58.31 58.84 1j7h n LYS 117 Cb 0.36 -4.36 -0.06 0.00 0.00 0.00 0.00 35.03 30.97 1j7h n LYS 117 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1j7h n ASP 118 N 0.35 -5.43 -4.74 3.14 9.92 -0.64 -4.83 116.55 114.31 1j7h n ASP 118 Ca -0.06 0.35 -0.40 0.00 -0.53 0.00 0.00 54.79 54.16 1j7h n ASP 118 Cb 0.24 -4.18 0.02 0.00 -0.64 0.00 0.00 41.12 36.57 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1j7h n VAL 119 N -2.35 3.04 1.35 2.53 0.24 -1.10 -4.89 118.33 117.16 1j7h n VAL 119 Ca -0.14 -0.50 0.06 0.00 -2.04 0.00 0.00 64.34 61.72 1j7h n VAL 119 Cb 0.59 -1.72 0.24 0.00 -1.47 0.00 0.00 33.84 31.47 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 0.69 -0.01 3.62 7.63 0.00 -1.26 -4.31 105.19 111.55 1j7h n GLY 120 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.23 -0.17 0.08 0.99 0.05 -1.26 -3.13 118.68 114.01 1j7h s LEU 121 Ca 0.22 0.20 0.05 0.00 0.05 0.00 0.00 54.13 54.64 1j7h s LEU 121 Cb 0.11 1.38 -0.03 0.00 -2.05 0.00 0.00 46.19 45.60 1j7h s LEU 121 CO 0.16 -0.14 -0.13 -0.70 -0.55 0.00 0.00 176.35 174.99 1j7h s GLU 122 N -0.94 0.80 -0.04 1.48 2.12 -0.68 -4.39 118.70 117.04 1j7h s GLU 122 Ca 0.05 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.42 1j7h s GLU 122 Cb -0.01 -0.72 0.01 0.00 0.26 0.00 0.00 34.13 33.67 1j7h s GLU 122 CO -0.05 0.15 -0.10 0.42 -0.54 0.00 0.00 175.26 175.14 1j7h s ILE 123 N -1.54 0.89 -0.27 -3.70 1.01 -0.97 -2.00 121.20 114.61 1j7h s ILE 123 Ca -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 1j7h s ILE 123 Cb -0.08 -0.81 0.15 0.00 0.01 0.00 0.00 42.46 41.72 1j7h s ILE 123 CO 0.02 0.29 0.41 -1.83 0.00 0.00 0.00 174.94 173.83 1j7h s GLU 124 N 0.50 0.40 0.24 2.79 1.03 0.34 0.12 118.70 124.11 1j7h s GLU 124 Ca -0.09 0.36 0.05 0.00 0.03 0.00 0.00 54.97 55.32 1j7h s GLU 124 Cb -0.13 -0.32 -0.05 0.00 -0.80 0.00 0.00 34.13 32.83 1j7h s GLU 124 CO 0.02 -0.85 -0.04 0.00 -1.33 0.00 0.00 175.26 173.06 1j7h s ALA 125 N 2.57 1.97 0.18 -0.84 0.00 -1.25 -0.32 121.76 124.07 1j7h s ALA 125 Ca 0.12 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.37 1j7h s ALA 125 Cb -0.14 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1j7h s ALA 125 CO -0.24 -0.15 0.01 0.42 0.00 0.00 0.00 175.76 175.81 1j7h s ILE 126 N -3.24 3.78 0.02 0.00 -1.09 0.96 -1.30 121.20 120.32 1j7h s ILE 126 Ca 0.27 -1.43 -0.04 0.00 -2.23 0.00 0.00 60.65 57.22 1j7h s ILE 126 Cb 0.04 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 1j7h s ILE 126 CO 0.09 -0.13 0.07 0.00 -1.23 0.00 0.00 174.94 173.73 1j7h s ALA 127 N -1.78 -0.10 0.43 9.38 0.00 -0.31 -0.66 121.76 128.72 1j7h s ALA 127 Ca 0.28 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.89 1j7h s ALA 127 Cb -0.09 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1j7h s ALA 127 CO 0.19 -0.21 0.03 0.14 0.00 0.00 0.00 175.76 175.91 1j7h s VAL 128 N -1.66 1.47 -0.34 0.00 -7.23 -1.13 0.12 120.40 111.62 1j7h s VAL 128 Ca -0.13 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.12 1j7h s VAL 128 Cb -0.07 -2.64 0.30 0.00 0.56 0.00 0.00 36.38 34.53 1j7h s VAL 128 CO -0.01 0.00 1.28 -2.11 -0.31 0.00 0.00 175.10 173.96 1j7h n ARG 129 N -1.01 0.95 0.00 4.82 1.85 0.76 -4.77 116.66 119.27 1j7h n ARG 129 Ca -0.09 -1.32 0.03 0.00 -1.00 0.00 0.00 57.85 55.46 1j7h n ARG 129 Cb 0.67 0.08 0.15 0.00 -1.05 0.00 0.00 32.46 32.31 1j7h n ARG 129 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98