#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 -0.83 -1.44 2.12 0.00 -1.26 -5.02 117.12 110.70 1j7h n MET 2 Ca 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 1j7h n MET 2 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 33.22 32.21 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 -2.60 -2.90 -3.80 1.12 -1.04 -1.25 -4.96 114.28 98.85 1j7h n THR 3 Ca 0.00 1.42 0.06 0.00 -2.04 0.00 0.00 64.05 63.50 1j7h n THR 3 Cb 0.19 -2.30 -0.02 0.00 -1.82 0.00 0.00 70.33 66.38 1j7h n THR 3 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1j7h n GLN 4 N -2.35 -0.95 -2.05 -2.82 7.27 0.31 -4.79 117.38 112.00 1j7h n GLN 4 Ca 0.00 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1j7h n GLN 4 Cb 0.40 -1.16 0.00 0.00 2.41 0.00 0.00 30.24 31.89 1j7h n GLN 4 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1j7h n ILE 5 N -2.69-12.00 -3.74 1.69 0.13 -1.25 -3.09 119.36 98.41 1j7h n ILE 5 Ca 0.00 3.14 -0.12 0.00 -1.10 0.00 0.00 62.75 64.67 1j7h n ILE 5 Cb 0.22 -4.97 -0.12 0.00 -0.84 0.00 0.00 39.64 33.93 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 -0.59 -0.02 -0.01 9.51 1.01 -0.32 -3.64 121.20 127.14 1j7h s ILE 6 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1j7h s ILE 6 Cb 0.00 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1j7h s ILE 6 CO 0.00 0.03 -0.10 -1.00 0.00 0.00 0.00 174.94 173.86 1j7h s HIS 7 N 0.75 0.97 0.02 3.97 3.76 -1.26 -3.17 115.29 120.33 1j7h s HIS 7 Ca -0.05 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1j7h s HIS 7 Cb -0.06 -0.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.97 1j7h s HIS 7 CO -0.05 -0.04 -0.04 -0.08 -0.85 0.00 0.00 174.74 173.68 1j7h s THR 8 N -0.13 0.19 -0.52 1.30 -1.32 -1.26 -4.82 115.64 109.09 1j7h s THR 8 Ca 0.02 -0.77 -0.00 0.00 -1.21 0.00 0.00 61.69 59.72 1j7h s THR 8 Cb -0.05 -0.29 0.44 0.00 -1.51 0.00 0.00 72.50 71.08 1j7h s THR 8 CO -0.00 -0.37 1.96 1.21 -2.21 0.00 0.00 174.62 175.21 1j7h n GLU 9 N 1.86 2.33 0.00 7.08 4.07 -1.26 -4.24 120.64 130.48 1j7h n GLU 9 Ca -0.21 -2.73 0.00 0.00 -0.06 0.00 0.00 57.16 54.16 1j7h n GLU 9 Cb 0.56 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1j7h n GLU 9 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1j7h n LYS 10 N -0.66 0.00 -2.09 5.31 4.81 -1.26 -5.04 118.16 119.23 1j7h n LYS 10 Ca 0.53 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.54 1j7h n LYS 10 Cb 0.88 -0.27 -0.03 0.00 0.02 0.00 0.00 35.03 35.64 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j7h s ALA 11 N -1.62 2.99 -0.33 3.14 0.00 -1.26 -4.86 121.76 119.82 1j7h s ALA 11 Ca 0.00 0.23 0.22 0.00 0.00 0.00 0.00 51.96 52.41 1j7h s ALA 11 Cb 0.00 -3.97 1.08 0.00 0.00 0.00 0.00 23.12 20.23 1j7h s ALA 11 CO 0.00 -2.44 1.67 -2.30 0.00 0.00 0.00 175.76 172.70 1j7h n PRO 12 N 8.20 0.16 0.00 0.00 -0.02 -1.26 -4.73 135.00 137.35 1j7h n PRO 12 Ca 0.21 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1j7h n PRO 12 Cb 0.47 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.77 0.00 -0.94 3.55 0.00 -1.26 -4.85 120.51 115.23 1j7h n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j7h n ALA 13 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.97 0.00 -1.06 0.00 0.00 -1.26 -4.90 120.51 110.32 1j7h n ALA 14 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1j7h n ALA 14 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.97 0.00 0.00 0.00 5.41 -1.26 -4.97 119.36 117.57 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 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 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 -2.61 4.96 1.86 7.39 0.00 -1.26 -5.00 105.19 110.54 1j7h n GLY 16 Ca -0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 1.65 -3.22 1.61 -0.04 -1.26 -4.85 135.00 128.89 1j7h n PRO 17 Ca 0.00 -1.05 0.02 0.00 -0.04 0.00 0.00 63.50 62.43 1j7h n PRO 17 Cb 0.00 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 1j7h n PRO 17 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1j7h n TYR 18 N 1.18 -0.25 -4.29 0.54 4.11 -1.26 -5.18 117.16 112.01 1j7h n TYR 18 Ca 0.25 -0.43 -0.24 0.00 -0.00 0.00 0.00 57.90 57.47 1j7h n TYR 18 Cb 0.61 0.19 -0.08 0.00 -0.00 0.00 0.00 39.34 40.06 1j7h n TYR 18 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 1j7h s VAL 19 N -2.06 2.66 0.15 -3.48 -7.23 -1.26 -4.23 120.40 104.96 1j7h s VAL 19 Ca 0.19 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 1j7h s VAL 19 Cb -0.00 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 34.11 1j7h s VAL 19 CO -0.01 -0.18 1.74 1.56 -0.31 0.00 0.00 175.10 177.90 1j7h h GLN 20 N 1.74 0.19 0.00 4.82 4.20 -1.90 -3.43 115.11 120.73 1j7h h GLN 20 Ca -0.43 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1j7h h GLN 20 Cb 1.25 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1j7h h GLN 20 CO 0.67 0.13 0.20 0.00 -0.67 0.00 0.00 178.83 179.15 1j7h n ALA 21 N -2.37 -1.16 -3.42 3.87 0.00 -1.19 -3.73 120.51 112.51 1j7h n ALA 21 Ca 0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 53.44 52.49 1j7h n ALA 21 Cb 0.14 0.56 -0.16 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.43 0.78 -0.82 0.00 -7.23 -0.24 -1.18 120.40 109.29 1j7h s VAL 22 Ca 0.10 -0.30 -0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1j7h s VAL 22 Cb -0.03 -0.74 0.21 0.00 0.56 0.00 0.00 36.38 36.38 1j7h s VAL 22 CO 0.07 0.27 0.72 -0.62 -0.31 0.00 0.00 175.10 175.23 1j7h s ASP 23 N 0.64 6.23 0.63 4.85 2.15 -1.18 -1.20 116.67 128.79 1j7h s ASP 23 Ca -0.10 -3.08 0.42 0.00 0.43 0.00 0.00 52.55 50.22 1j7h s ASP 23 Cb -0.13 -2.04 2.27 0.00 -0.30 0.00 0.00 42.92 42.71 1j7h s ASP 23 CO 0.01 -0.39 2.29 -0.07 -0.17 0.00 0.00 175.17 176.85 1j7h h LEU 24 N 7.04 0.00 0.00 -1.34 3.38 -1.76 0.90 115.31 123.54 1j7h h LEU 24 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1j7h h LEU 24 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1j7h h LEU 24 CO 0.80 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1j7h n GLY 25 N -1.01 1.11 0.32 0.83 0.00 -1.26 -4.56 105.19 100.61 1j7h n GLY 25 Ca -0.03 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.02 -4.07 1.61 2.35 -1.92 -3.40 115.58 110.17 1j7h h ASN 26 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1j7h h ASN 26 Cb 0.00 -0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.06 1j7h h ASN 26 CO 0.00 0.02 -0.85 -0.76 -1.65 0.00 0.00 177.43 174.18 1j7h s LEU 27 N -8.95 1.98 0.54 1.61 1.02 -1.26 -0.41 118.68 113.21 1j7h s LEU 27 Ca -0.05 -0.39 0.08 0.00 0.02 0.00 0.00 54.13 53.78 1j7h s LEU 27 Cb 0.18 -1.08 0.05 0.00 0.02 0.00 0.00 46.19 45.36 1j7h s LEU 27 CO 0.70 0.20 0.58 0.68 0.02 0.00 0.00 176.35 178.53 1j7h s VAL 28 N -0.15 2.05 -0.24 -1.59 -7.23 0.35 -2.45 120.40 111.14 1j7h s VAL 28 Ca -0.00 -1.24 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 1j7h s VAL 28 Cb -0.11 -2.28 0.07 0.00 0.56 0.00 0.00 36.38 34.62 1j7h s VAL 28 CO 0.02 0.00 0.60 -0.76 -0.31 0.00 0.00 175.10 174.65 1j7h s LEU 29 N -4.44 -0.55 -0.08 1.32 1.02 -0.34 -2.14 118.68 113.47 1j7h s LEU 29 Ca 0.49 1.29 0.00 0.00 0.02 0.00 0.00 54.13 55.92 1j7h s LEU 29 Cb -0.04 2.07 -0.03 0.00 0.02 0.00 0.00 46.19 48.21 1j7h s LEU 29 CO 0.30 -0.22 -0.06 0.42 0.02 0.00 0.00 176.35 176.81 1j7h s THR 30 N 1.12 3.76 0.95 5.49 -4.23 0.63 -1.08 115.64 122.27 1j7h s THR 30 Ca -0.06 -0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 59.84 1j7h s THR 30 Cb -0.05 -2.55 0.18 0.00 1.34 0.00 0.00 72.50 71.41 1j7h s THR 30 CO -0.11 0.59 1.26 -0.55 -0.54 0.00 0.00 174.62 175.27 1j7h s SER 31 N -0.68 3.26 -1.00 3.99 0.15 -1.24 -3.38 113.70 114.80 1j7h s SER 31 Ca 0.10 0.46 -0.26 0.00 0.70 0.00 0.00 55.95 56.96 1j7h s SER 31 Cb -0.11 -0.65 -0.16 0.00 -1.71 0.00 0.00 66.02 63.38 1j7h s SER 31 CO 0.02 -2.66 2.15 -0.83 1.20 0.00 0.00 173.24 173.13 1j7h s GLY 32 N -4.68 -0.71 0.71 9.45 0.00 -1.25 -4.08 107.32 106.77 1j7h s GLY 32 Ca 0.70 -1.39 -0.16 0.00 0.00 0.00 0.00 44.72 43.87 1j7h s GLY 32 CO 0.52 4.08 1.03 -1.06 0.00 0.00 0.00 173.10 177.68 1j7h n GLN 33 N 8.44 0.58 -4.38 2.90 3.00 0.29 -4.63 117.38 123.59 1j7h n GLN 33 Ca 0.43 0.25 -0.19 0.00 -0.01 0.00 0.00 57.00 57.49 1j7h n GLN 33 Cb 0.46 -2.28 -0.14 0.00 0.00 0.00 0.00 30.24 28.28 1j7h n GLN 33 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1j7h s ILE 34 N -1.77 0.84 -0.64 5.09 -4.36 -1.26 -2.58 121.20 116.52 1j7h s ILE 34 Ca 0.75 -0.61 -0.08 0.00 -0.26 0.00 0.00 60.65 60.45 1j7h s ILE 34 Cb -0.35 -0.74 -0.20 0.00 1.25 0.00 0.00 42.46 42.43 1j7h s ILE 34 CO 0.49 0.13 3.35 -0.81 0.24 0.00 0.00 174.94 178.34 1j7h n PRO 35 N 2.51 2.66 -1.72 0.37 -0.04 -1.26 -4.61 135.00 132.91 1j7h n PRO 35 Ca -0.15 -1.47 -0.18 0.00 -0.04 0.00 0.00 63.50 61.66 1j7h n PRO 35 Cb 0.56 -2.31 -0.08 0.00 -0.04 0.00 0.00 33.50 31.62 1j7h n PRO 35 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j7h s VAL 36 N 1.48 3.15 0.03 0.52 1.01 -1.05 -3.02 120.40 122.52 1j7h s VAL 36 Ca 0.68 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1j7h s VAL 36 Cb 0.26 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.79 1j7h s VAL 36 CO -0.02 -0.30 0.77 -3.20 0.00 0.00 0.00 175.10 172.35 1j7h n ASN 37 N 17.79 -0.18 0.10 3.32 2.85 -1.25 -4.40 115.26 133.50 1j7h n ASN 37 Ca 0.44 0.91 0.11 0.00 -0.11 0.00 0.00 54.58 55.92 1j7h n ASN 37 Cb 0.45 -0.73 0.45 0.00 1.24 0.00 0.00 39.78 41.19 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 1.11 0.15 -0.00 1.20 -0.04 -1.26 0.19 135.00 136.34 1j7h n PRO 38 Ca 0.15 0.36 0.03 0.00 -0.04 0.00 0.00 63.50 64.01 1j7h n PRO 38 Cb 0.09 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 31.73 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 -1.70 2.22 -0.04 0.55 0.00 -1.26 -4.72 120.51 115.55 1j7h n ALA 39 Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 1j7h n ALA 39 Cb 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.70 0.56 -2.67 0.00 -1.04 -1.16 -5.05 114.28 103.21 1j7h n THR 40 Ca -0.01 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.05 61.57 1j7h n THR 40 Cb 0.15 -0.78 0.04 0.00 -1.82 0.00 0.00 70.33 67.92 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 2.50 -0.00 0.00 3.41 0.00 0.49 -4.89 105.19 106.70 1j7h n GLY 41 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.57 0.00 -3.24 1.61 0.00 -1.25 -4.74 120.64 110.44 1j7h n GLU 42 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.07 1j7h n GLU 42 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.00 1j7h n GLU 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1j7h s VAL 43 N 0.00 -0.70 0.29 3.84 0.11 -1.17 -2.52 120.40 120.25 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 -0.14 0.00 -1.53 0.00 0.00 36.38 33.71 1j7h s VAL 43 CO 0.00 0.00 1.07 -2.65 -3.33 0.00 0.00 175.10 170.19 1j7h n PRO 44 N 5.37 1.49 0.16 1.54 -0.02 -1.25 -4.87 135.00 137.42 1j7h n PRO 44 Ca -0.05 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 61.99 1j7h n PRO 44 Cb 0.52 -1.94 0.46 0.00 -0.02 0.00 0.00 33.50 32.52 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 2.20 1.65 -0.89 3.55 0.00 -2.00 -3.39 119.26 120.38 1j7h h ALA 45 Ca -0.41 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 53.99 1j7h h ALA 45 Cb 1.33 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1j7h h ALA 45 CO 0.62 0.26 0.93 -0.51 0.00 0.00 0.00 179.25 180.55 1j7h s ASP 46 N -6.92 5.37 0.46 0.00 1.11 -1.26 -4.81 116.67 110.61 1j7h s ASP 46 Ca -0.05 -0.63 0.34 0.00 0.18 0.00 0.00 52.55 52.38 1j7h s ASP 46 Cb 0.16 -2.56 1.49 0.00 1.07 0.00 0.00 42.92 43.08 1j7h s ASP 46 CO 0.71 -2.51 1.61 0.40 1.18 0.00 0.00 175.17 176.56 1j7h h ILE 47 N 7.12 0.08 -0.00 0.77 1.08 -1.98 0.99 117.51 125.56 1j7h h ILE 47 Ca 0.05 -0.02 -0.12 0.00 -0.39 0.00 0.00 64.86 64.38 1j7h h ILE 47 Cb 1.03 0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1j7h h ILE 47 CO 1.24 0.01 -0.47 0.58 -0.69 0.00 0.00 178.15 178.82 1j7h h VAL 48 N 0.05 1.47 -0.44 1.67 2.07 -1.93 -0.88 116.25 118.26 1j7h h VAL 48 Ca 0.85 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1j7h h VAL 48 Cb 2.81 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 35.21 1j7h h VAL 48 CO -0.37 0.58 0.21 0.00 0.02 0.00 0.00 177.57 178.01 1j7h h ALA 49 N 0.30 0.57 -0.10 1.67 0.00 0.32 0.74 119.26 122.76 1j7h h ALA 49 Ca -0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1j7h h ALA 49 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1j7h h ALA 49 CO 0.09 0.14 -0.38 0.37 0.00 0.00 0.00 179.25 179.47 1j7h h GLN 50 N 0.57 0.21 -0.29 0.00 4.15 -0.01 -1.52 115.11 118.23 1j7h h GLN 50 Ca 0.15 -0.09 -0.16 0.00 0.77 0.00 0.00 58.65 59.31 1j7h h GLN 50 Cb 0.13 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1j7h h GLN 50 CO -0.02 0.57 -0.48 0.00 -1.93 0.00 0.00 178.83 176.97 1j7h h ALA 51 N 1.43 0.61 -0.03 3.38 0.00 -0.59 -2.05 119.26 122.00 1j7h h ALA 51 Ca 0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1j7h h ALA 51 Cb 0.76 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j7h h ALA 51 CO 0.06 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.93 1j7h h ARG 52 N 0.61 0.09 0.00 0.00 3.08 -0.67 -2.97 114.38 114.52 1j7h h ARG 52 Ca 0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1j7h h ARG 52 Cb 1.05 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 1j7h h ARG 52 CO 0.10 0.61 -0.02 0.37 -1.07 0.00 0.00 179.97 179.96 1j7h h GLN 53 N -0.41 0.00 -0.25 0.04 4.15 -1.33 -2.13 115.11 115.18 1j7h h GLN 53 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1j7h h GLN 53 Cb 0.60 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1j7h h GLN 53 CO 0.01 0.02 -0.03 1.03 -1.93 0.00 0.00 178.83 177.93 1j7h h SER 54 N 0.00 0.46 0.73 -0.69 0.87 -1.28 -2.56 113.55 111.08 1j7h h SER 54 Ca -0.00 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1j7h h SER 54 Cb 0.04 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1j7h h SER 54 CO 0.00 0.69 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.83 1j7h h LEU 55 N 0.23 0.00 0.17 2.23 3.38 -1.25 -3.09 115.31 116.97 1j7h h LEU 55 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1j7h h LEU 55 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1j7h h LEU 55 CO 0.02 0.09 -0.08 -0.33 0.09 0.00 0.00 178.44 178.23 1j7h h GLU 56 N 0.00 -0.21 -0.48 1.13 4.39 -1.15 -2.82 114.58 115.43 1j7h h GLU 56 Ca -0.00 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.84 1j7h h GLU 56 Cb 0.48 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1j7h h GLU 56 CO 0.01 0.21 0.34 -2.95 -1.16 0.00 0.00 179.01 175.46 1j7h h ASN 57 N -0.87 0.09 0.02 1.42 7.08 -1.45 0.28 115.58 122.15 1j7h h ASN 57 Ca -0.02 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1j7h h ASN 57 Cb 0.52 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.74 1j7h h ASN 57 CO 0.04 0.05 -0.01 0.58 -2.08 0.00 0.00 177.43 176.01 1j7h h VAL 58 N 0.10 1.32 -0.20 6.14 2.07 -1.57 -2.82 116.25 121.29 1j7h h VAL 58 Ca 0.23 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1j7h h VAL 58 Cb 0.77 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1j7h h VAL 58 CO -0.02 0.27 -0.28 0.07 0.02 0.00 0.00 177.57 177.63 1j7h h LYS 59 N -0.49 0.39 -0.92 1.57 2.10 -1.09 -2.86 116.57 115.28 1j7h h LYS 59 Ca -0.00 -0.15 0.04 0.00 -2.00 0.00 0.00 60.65 58.53 1j7h h LYS 59 Cb 0.47 -0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 31.72 1j7h h LYS 59 CO 0.00 0.64 0.60 0.00 -2.00 0.00 0.00 179.45 178.69 1j7h h ALA 60 N 1.36 1.22 0.50 0.07 0.00 -0.46 0.85 119.26 122.81 1j7h h ALA 60 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1j7h h ALA 60 Cb 0.67 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1j7h h ALA 60 CO 0.05 0.46 -0.24 0.82 0.00 0.00 0.00 179.25 180.33 1j7h h ILE 61 N 1.15 0.41 0.00 0.00 2.04 -1.27 0.51 117.51 120.35 1j7h h ILE 61 Ca 0.37 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1j7h h ILE 61 Cb 0.02 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1j7h h ILE 61 CO -0.12 0.05 -0.14 -0.29 0.00 0.00 0.00 178.15 177.65 1j7h h ILE 62 N -0.92 0.73 0.14 -0.67 2.10 -1.36 -1.86 117.51 115.67 1j7h h ILE 62 Ca -0.07 -0.56 -0.28 0.00 1.08 0.00 0.00 64.86 65.03 1j7h h ILE 62 Cb 0.60 1.34 0.03 0.00 -1.09 0.00 0.00 36.82 37.70 1j7h h ILE 62 CO 0.11 0.14 -1.18 -0.33 -1.08 0.00 0.00 178.15 175.81 1j7h h GLU 63 N 0.00 0.55 0.00 2.19 5.08 0.13 0.30 114.58 122.82 1j7h h GLU 63 Ca -0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 1j7h h GLU 63 Cb 0.33 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1j7h h GLU 63 CO 0.02 1.36 0.00 0.87 -1.00 0.00 0.00 179.01 180.25 1j7h h LYS 64 N 0.12 0.00 0.00 2.33 1.79 0.44 -2.55 116.57 118.71 1j7h h LYS 64 Ca -0.19 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.07 1j7h h LYS 64 Cb 1.89 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.50 1j7h h LYS 64 CO 0.23 0.00 -1.66 0.00 -1.08 0.00 0.00 179.45 176.93 1j7h n ALA 65 N -1.82 1.82 0.00 3.86 0.00 -0.74 -4.98 120.51 118.65 1j7h n ALA 65 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1j7h n ALA 65 Cb 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.48 0.99 3.52 0.00 0.00 -0.96 -5.10 105.19 105.12 1j7h n GLY 66 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.38 0.37 0.99 1.43 0.10 -5.00 118.68 116.19 1j7h s LEU 67 Ca 0.00 1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1j7h s LEU 67 Cb 0.00 2.12 -0.04 0.00 0.03 0.00 0.00 46.19 48.31 1j7h s LEU 67 CO 0.00 -0.22 0.59 0.42 0.23 0.00 0.00 176.35 177.38 1j7h s THR 68 N 0.38 5.06 0.40 5.49 -4.23 -1.26 -2.17 115.64 119.31 1j7h s THR 68 Ca -0.00 -0.27 0.10 0.00 -1.18 0.00 0.00 61.69 60.33 1j7h s THR 68 Cb -0.04 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.25 1j7h s THR 68 CO 0.00 -0.59 1.98 0.00 -0.54 0.00 0.00 174.62 175.48 1j7h h ALA 69 N 0.77 1.85 -0.76 3.99 0.00 -1.94 -0.52 119.26 122.65 1j7h h ALA 69 Ca -0.49 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.62 1j7h h ALA 69 Cb 1.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1j7h h ALA 69 CO 0.62 0.04 0.68 0.00 0.00 0.00 0.00 179.25 180.59 1j7h h ALA 70 N 1.67 2.60 0.00 0.00 0.00 -1.92 0.84 119.26 122.44 1j7h h ALA 70 Ca 0.27 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1j7h h ALA 70 Cb 0.35 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1j7h h ALA 70 CO -0.08 -1.07 -0.74 -0.44 0.00 0.00 0.00 179.25 176.91 1j7h h ASP 71 N 0.00 0.00 -1.17 0.00 5.19 -1.41 -3.45 116.42 115.58 1j7h h ASP 71 Ca 0.36 0.00 -0.79 0.00 -0.62 0.00 0.00 57.03 55.98 1j7h h ASP 71 Cb 1.72 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.24 1j7h h ASP 71 CO -0.00 0.74 0.90 -0.38 -3.12 0.00 0.00 179.24 177.37 1j7h n ILE 72 N -3.38 0.16 -0.02 0.35 5.41 0.29 -3.12 119.36 119.05 1j7h n ILE 72 Ca 0.00 -0.04 -0.19 0.00 1.00 0.00 0.00 62.75 63.52 1j7h n ILE 72 Cb 0.80 -0.92 -0.14 0.00 -0.71 0.00 0.00 39.64 38.67 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 5.43 1.32 -3.76 1.39 -1.51 -1.20 -3.39 116.25 114.52 1j7h h VAL 73 Ca -0.41 -2.39 -0.17 0.00 -1.23 0.00 0.00 66.70 62.49 1j7h h VAL 73 Cb 1.35 2.93 -0.22 0.00 -2.13 0.00 0.00 31.29 33.21 1j7h h VAL 73 CO 0.98 0.63 -0.63 -0.75 -1.23 0.00 0.00 177.57 176.57 1j7h s LYS 74 N -2.39 0.30 -0.09 5.19 2.20 -1.19 0.06 119.74 123.82 1j7h s LYS 74 Ca -0.19 -0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1j7h s LYS 74 Cb 0.02 0.12 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1j7h s LYS 74 CO 0.74 -0.06 0.11 -0.08 -0.36 0.00 0.00 175.35 175.70 1j7h s THR 75 N -1.10 -0.18 0.55 3.43 -1.32 0.29 0.11 115.64 117.42 1j7h s THR 75 Ca -0.12 0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1j7h s THR 75 Cb -0.07 -0.31 -0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1j7h s THR 75 CO -0.00 0.06 0.87 -0.89 -2.21 0.00 0.00 174.62 172.45 1j7h s THR 76 N 2.22 4.21 -0.27 5.08 2.01 -0.14 -3.64 115.64 125.10 1j7h s THR 76 Ca 0.04 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1j7h s THR 76 Cb -0.13 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 68.88 1j7h s THR 76 CO -0.06 -0.67 0.37 -0.69 -0.69 0.00 0.00 174.62 172.88 1j7h s VAL 77 N -2.92 -0.58 -0.71 3.82 1.01 -1.20 -3.15 120.40 116.68 1j7h s VAL 77 Ca 0.52 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 1j7h s VAL 77 Cb -0.10 -0.93 0.13 0.00 0.00 0.00 0.00 36.38 35.47 1j7h s VAL 77 CO 0.46 -0.27 0.82 -0.36 0.00 0.00 0.00 175.10 175.75 1j7h s PHE 78 N 2.51 3.13 0.08 5.22 0.08 -0.72 -2.16 117.98 126.12 1j7h s PHE 78 Ca 0.10 -1.20 -0.04 0.00 0.12 0.00 0.00 56.93 55.92 1j7h s PHE 78 Cb -0.14 -4.06 -0.05 0.00 -0.57 0.00 0.00 43.02 38.20 1j7h s PHE 78 CO -0.26 -1.31 0.30 0.14 -0.10 0.00 0.00 175.22 173.99 1j7h s VAL 79 N 2.36 5.26 -1.49 -0.44 -7.23 -1.04 -2.59 120.40 115.22 1j7h s VAL 79 Ca 0.18 -0.04 0.30 0.00 -1.81 0.00 0.00 61.98 60.61 1j7h s VAL 79 Cb -0.17 -3.61 0.57 0.00 0.56 0.00 0.00 36.38 33.73 1j7h s VAL 79 CO 0.01 0.16 2.08 0.29 -0.31 0.00 0.00 175.10 177.32 1j7h n LYS 80 N 0.43 0.49 -3.60 4.82 5.02 -1.19 0.10 118.16 124.23 1j7h n LYS 80 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1j7h n LYS 80 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1j7h n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1j7h s ASP 81 N -2.51 -0.62 0.00 4.39 -1.08 -1.26 -4.75 116.67 110.84 1j7h s ASP 81 Ca 0.31 1.04 0.25 0.00 -0.52 0.00 0.00 52.55 53.63 1j7h s ASP 81 Cb 0.20 1.01 1.15 0.00 -1.46 0.00 0.00 42.92 43.82 1j7h s ASP 81 CO 0.45 -0.31 1.78 0.18 0.52 0.00 0.00 175.17 177.79 1j7h n LEU 82 N 2.01 0.94 0.13 -1.34 4.77 -1.26 -3.42 117.00 118.81 1j7h n LEU 82 Ca -0.14 -0.35 0.12 0.00 -0.03 0.00 0.00 56.01 55.60 1j7h n LEU 82 Cb 0.56 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1j7h n LEU 82 CO 0.08 0.18 0.16 0.78 -1.33 0.00 0.00 177.39 177.26 1j7h h ASN 83 N 1.35 0.00 0.40 -1.43 2.35 -2.00 -3.35 115.58 112.91 1j7h h ASN 83 Ca 0.00 -0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.44 1j7h h ASN 83 Cb 0.29 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 1j7h h ASN 83 CO 0.00 0.00 -1.83 -0.90 -1.65 0.00 0.00 177.43 173.05 1j7h n ASP 84 N -2.75 0.72 0.20 5.81 5.68 -1.22 -4.05 116.55 120.94 1j7h n ASP 84 Ca 0.01 0.34 0.16 0.00 -0.50 0.00 0.00 54.79 54.81 1j7h n ASP 84 Cb 0.55 0.12 0.81 0.00 -1.14 0.00 0.00 41.12 41.46 1j7h n ASP 84 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1j7h h PHE 85 N 0.00 0.00 -0.71 2.11 3.57 -1.69 -1.21 116.94 119.02 1j7h h PHE 85 Ca -0.33 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.25 1j7h h PHE 85 Cb 2.06 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.75 1j7h h PHE 85 CO 0.00 0.00 0.47 0.00 -2.23 0.00 0.00 178.31 176.55 1j7h h ALA 86 N 1.81 1.78 0.05 2.41 0.00 -1.73 0.67 119.26 124.25 1j7h h ALA 86 Ca 0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 1j7h h ALA 86 Cb 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1j7h h ALA 86 CO -0.00 0.10 -1.66 0.00 0.00 0.00 0.00 179.25 177.69 1j7h h ALA 87 N 1.63 0.56 -0.18 0.00 0.00 -1.49 -3.13 119.26 116.65 1j7h h ALA 87 Ca 0.31 -1.32 -0.16 0.00 0.00 0.00 0.00 54.91 53.74 1j7h h ALA 87 Cb 0.35 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1j7h h ALA 87 CO -0.11 1.41 -0.50 0.28 0.00 0.00 0.00 179.25 180.33 1j7h h VAL 88 N 0.03 1.32 -0.49 0.00 2.07 -1.10 -2.14 116.25 115.94 1j7h h VAL 88 Ca -0.28 -1.74 -0.12 0.00 0.82 0.00 0.00 66.70 65.38 1j7h h VAL 88 Cb 1.99 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.69 1j7h h VAL 88 CO 0.10 0.54 -0.18 -1.13 0.02 0.00 0.00 177.57 176.93 1j7h h ASN 89 N 0.34 0.99 0.39 0.57 -1.24 0.18 0.23 115.58 117.03 1j7h h ASN 89 Ca -0.01 -0.35 -0.09 0.00 0.71 0.00 0.00 56.30 56.55 1j7h h ASN 89 Cb 1.12 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 1j7h h ASN 89 CO 0.11 1.14 -0.42 0.00 -1.29 0.00 0.00 177.43 176.96 1j7h h ALA 90 N 0.94 1.26 0.05 1.57 0.00 -1.57 -2.92 119.26 118.59 1j7h h ALA 90 Ca 0.12 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.36 1j7h h ALA 90 Cb 0.74 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1j7h h ALA 90 CO 0.06 0.54 -1.46 1.49 0.00 0.00 0.00 179.25 179.88 1j7h h GLU 91 N 0.04 0.10 -0.29 0.00 4.57 -1.16 -3.11 114.58 114.74 1j7h h GLU 91 Ca 0.00 -0.18 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1j7h h GLU 91 Cb 0.76 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1j7h h GLU 91 CO 0.06 0.89 0.14 -0.92 -1.18 0.00 0.00 179.01 177.99 1j7h h TYR 92 N 0.03 0.25 0.00 0.92 5.03 -0.42 -0.75 116.97 122.03 1j7h h TYR 92 Ca -0.20 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.11 1j7h h TYR 92 Cb 1.95 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 40.16 1j7h h TYR 92 CO 0.03 0.14 -0.07 1.49 -1.32 0.00 0.00 178.16 178.43 1j7h h GLU 93 N 0.29 0.00 0.02 1.82 4.81 -1.66 -1.91 114.58 117.95 1j7h h GLU 93 Ca 0.12 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.15 1j7h h GLU 93 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1j7h h GLU 93 CO -0.09 0.07 -0.93 -0.09 -0.73 0.00 0.00 179.01 177.24 1j7h h ARG 94 N 0.00 0.13 0.05 1.92 2.43 -1.28 -3.13 114.38 114.49 1j7h h ARG 94 Ca -0.00 -0.17 -0.31 0.00 -0.81 0.00 0.00 59.98 58.69 1j7h h ARG 94 Cb 0.83 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 1j7h h ARG 94 CO 0.01 0.97 -1.76 0.27 -1.51 0.00 0.00 179.97 177.95 1j7h h PHE 95 N 0.06 0.18 0.24 2.20 -5.15 -1.13 -3.15 116.94 110.19 1j7h h PHE 95 Ca -0.04 -0.13 -0.00 0.00 -0.20 0.00 0.00 57.97 57.60 1j7h h PHE 95 Cb 1.60 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 37.75 1j7h h PHE 95 CO 0.02 1.26 -0.20 0.35 -2.00 0.00 0.00 178.31 177.74 1j7h h PHE 96 N 0.03 -0.52 -0.08 6.09 3.57 -1.44 0.34 116.94 124.92 1j7h h PHE 96 Ca -0.31 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.07 1j7h h PHE 96 Cb 2.01 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.94 1j7h h PHE 96 CO 0.03 -0.30 -0.47 -0.22 -2.23 0.00 0.00 178.31 175.12 1j7h h LYS 97 N -0.45 0.20 0.00 1.11 3.11 -1.72 1.06 116.57 119.88 1j7h h LYS 97 Ca -0.01 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1j7h h LYS 97 Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1j7h h LYS 97 CO -0.02 0.63 0.00 -0.85 -2.81 0.00 0.00 179.45 176.40 1j7h n GLU 98 N -3.98 0.12 -0.00 1.90 0.28 -1.00 -2.09 120.64 115.87 1j7h n GLU 98 Ca -0.02 0.28 0.09 0.00 -0.16 0.00 0.00 57.16 57.36 1j7h n GLU 98 Cb 0.52 -1.70 -0.12 0.00 1.43 0.00 0.00 31.44 31.57 1j7h n GLU 98 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j7h n ASN 99 N -1.92 0.80 -0.07 -1.84 3.02 0.08 -4.98 115.26 110.35 1j7h n ASN 99 Ca 0.04 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1j7h n ASN 99 Cb 0.26 1.34 0.00 0.00 -0.61 0.00 0.00 39.78 40.76 1j7h n ASN 99 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1j7h n ASN 100 N -1.71 -0.25 -2.57 6.41 3.02 -0.63 -4.94 115.26 114.58 1j7h n ASN 100 Ca 0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.29 1j7h n ASN 100 Cb 0.36 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 1j7h n ASN 100 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1j7h n HIS 101 N -0.29 3.53 1.15 3.10 8.25 0.36 -4.66 115.22 126.67 1j7h n HIS 101 Ca 0.00 -3.30 0.11 0.00 -0.26 0.00 0.00 57.72 54.27 1j7h n HIS 101 Cb 0.06 -0.16 0.58 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.43 0.44 0.21 -0.41 -0.04 -1.26 -3.41 135.00 130.10 1j7h n PRO 102 Ca 0.37 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 1j7h n PRO 102 Cb 0.61 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.09 -4.24 3.54 -1.24 -1.88 -3.48 115.58 108.37 1j7h h ASN 103 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1j7h h ASN 103 Cb 0.13 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1j7h h ASN 103 CO 0.00 0.07 -0.74 0.49 -1.29 0.00 0.00 177.43 175.96 1j7h n PHE 104 N -4.52 -3.70 -3.71 0.67 3.72 -1.22 -5.02 117.46 103.68 1j7h n PHE 104 Ca -0.02 2.21 -0.30 0.00 -0.05 0.00 0.00 57.45 59.29 1j7h n PHE 104 Cb 0.09 -3.37 -0.04 0.00 -0.94 0.00 0.00 39.48 35.22 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 -1.04 3.56 1.02 -1.08 0.04 -1.26 -5.00 135.00 131.24 1j7h s PRO 105 Ca 0.00 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 60.71 1j7h s PRO 105 Cb 0.00 -2.87 0.20 0.00 0.04 0.00 0.00 34.50 31.87 1j7h s PRO 105 CO 0.00 0.47 1.10 0.00 0.04 0.00 0.00 177.00 178.61 1j7h s ALA 106 N -1.70 0.68 -0.27 8.56 0.00 0.11 -4.63 121.76 124.50 1j7h s ALA 106 Ca 0.39 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 1j7h s ALA 106 Cb -0.12 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.68 1j7h s ALA 106 CO 0.26 -3.24 0.70 -0.98 0.00 0.00 0.00 175.76 172.51 1j7h s ARG 107 N -4.55 0.80 -0.54 0.00 1.70 -1.26 0.10 118.95 115.20 1j7h s ARG 107 Ca 0.68 1.03 0.04 0.00 -0.47 0.00 0.00 55.73 57.01 1j7h s ARG 107 Cb -0.24 0.34 0.15 0.00 -0.57 0.00 0.00 34.95 34.64 1j7h s ARG 107 CO 0.61 -0.11 0.35 0.45 -1.08 0.00 0.00 175.30 175.52 1j7h s SER 108 N 0.66 3.71 0.15 -2.89 0.15 -1.24 -4.98 113.70 109.26 1j7h s SER 108 Ca -0.02 -3.20 -0.14 0.00 0.70 0.00 0.00 55.95 53.29 1j7h s SER 108 Cb -0.05 -1.20 -0.07 0.00 -1.71 0.00 0.00 66.02 62.99 1j7h s SER 108 CO -0.04 -0.18 0.54 0.00 1.20 0.00 0.00 173.24 174.76 1j7h s VAL 110 N -1.48 -0.01 -1.10 0.00 -7.23 -0.92 -4.96 120.40 104.69 1j7h s VAL 110 Ca 0.38 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 60.36 1j7h s VAL 110 Cb -0.15 -0.67 -0.12 0.00 0.56 0.00 0.00 36.38 36.01 1j7h s VAL 110 CO 0.19 0.02 2.00 -0.70 -0.31 0.00 0.00 175.10 176.30 1j7h s GLU 111 N 1.08 2.16 0.86 4.82 2.12 -1.25 -2.51 118.70 125.98 1j7h s GLU 111 Ca -0.07 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 54.35 1j7h s GLU 111 Cb -0.06 -5.14 0.11 0.00 0.26 0.00 0.00 34.13 29.30 1j7h s GLU 111 CO -0.10 -4.28 1.10 0.14 -0.54 0.00 0.00 175.26 171.59 1j7h s VAL 112 N 12.46 2.79 -0.04 3.70 -7.23 0.28 -4.87 120.40 127.50 1j7h s VAL 112 Ca 0.73 0.26 -0.21 0.00 -1.81 0.00 0.00 61.98 60.94 1j7h s VAL 112 Cb -0.03 -2.61 -0.32 0.00 0.56 0.00 0.00 36.38 33.99 1j7h s VAL 112 CO 0.12 -0.34 0.91 0.00 -0.31 0.00 0.00 175.10 175.48 1j7h h ALA 113 N -1.49 -0.09 -2.66 1.32 0.00 -1.89 -3.37 119.26 111.07 1j7h h ALA 113 Ca -0.46 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 53.66 1j7h h ALA 113 Cb 1.26 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 1j7h h ALA 113 CO 0.50 0.40 -0.28 0.50 0.00 0.00 0.00 179.25 180.37 1j7h s ARG 114 N -2.46 1.16 0.05 0.00 3.52 -1.26 -4.93 118.95 115.03 1j7h s ARG 114 Ca -0.13 -1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 54.35 1j7h s ARG 114 Cb 0.01 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.75 1j7h s ARG 114 CO 0.84 -0.43 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.36 1j7h s LEU 115 N -2.94 2.49 0.20 -0.88 1.43 -1.26 -5.02 118.68 112.69 1j7h s LEU 115 Ca 0.15 -1.00 -0.32 0.00 -1.03 0.00 0.00 54.13 51.93 1j7h s LEU 115 Cb 0.03 0.19 -0.15 0.00 0.03 0.00 0.00 46.19 46.29 1j7h s LEU 115 CO -0.02 -0.59 1.24 -2.65 0.23 0.00 0.00 176.35 174.56 1j7h n PRO 116 N 0.11 1.45 -1.15 1.29 -0.02 -1.26 -0.44 135.00 134.98 1j7h n PRO 116 Ca -0.14 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 61.80 1j7h n PRO 116 Cb 0.61 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.83 -1.02 -1.45 -0.52 4.01 -1.26 -2.42 118.16 117.33 1j7h n LYS 117 Ca 0.14 0.56 -0.15 0.00 -0.51 0.00 0.00 58.31 58.35 1j7h n LYS 117 Cb 0.27 -4.50 -0.07 0.00 -0.51 0.00 0.00 35.03 30.23 1j7h n LYS 117 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1j7h n ASP 118 N -0.31 -5.44 -4.39 4.39 2.03 0.41 -4.91 116.55 108.33 1j7h n ASP 118 Ca -0.05 0.38 -0.32 0.00 0.52 0.00 0.00 54.79 55.32 1j7h n ASP 118 Cb 0.34 -4.30 0.16 0.00 -0.72 0.00 0.00 41.12 36.60 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 0.00 0.07 5.18 0.24 -1.01 -4.85 118.33 115.60 1j7h n VAL 119 Ca -0.15 -0.25 0.03 0.00 -2.04 0.00 0.00 64.34 61.93 1j7h n VAL 119 Cb 0.60 -0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 32.24 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 -1.92 0.00 -4.56 7.63 0.00 -1.91 -3.40 103.07 98.91 1j7h h GLY 120 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1j7h h GLY 120 CO 0.38 0.00 -0.12 1.08 0.00 0.00 0.00 176.54 177.88 1j7h s LEU 121 N -5.84 0.28 -0.01 3.11 1.02 -1.26 -3.16 118.68 112.81 1j7h s LEU 121 Ca -0.01 0.48 0.03 0.00 0.02 0.00 0.00 54.13 54.65 1j7h s LEU 121 Cb 0.08 1.70 -0.00 0.00 0.02 0.00 0.00 46.19 47.99 1j7h s LEU 121 CO 0.79 -0.42 -0.10 -0.70 0.02 0.00 0.00 176.35 175.95 1j7h s GLU 122 N -0.88 0.85 -0.02 1.70 2.12 -1.07 -4.36 118.70 117.05 1j7h s GLU 122 Ca -0.09 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 54.93 1j7h s GLU 122 Cb -0.03 -0.81 -0.00 0.00 0.26 0.00 0.00 34.13 33.54 1j7h s GLU 122 CO 0.05 0.18 -0.11 0.42 -0.54 0.00 0.00 175.26 175.25 1j7h s ILE 123 N -0.09 0.94 -0.21 -3.70 1.01 -1.06 -1.75 121.20 116.33 1j7h s ILE 123 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1j7h s ILE 123 Cb -0.05 -0.80 0.09 0.00 0.01 0.00 0.00 42.46 41.71 1j7h s ILE 123 CO -0.00 0.27 0.19 -1.83 0.00 0.00 0.00 174.94 173.57 1j7h s GLU 124 N -0.08 0.17 0.28 2.79 -1.05 -1.19 0.11 118.70 119.73 1j7h s GLU 124 Ca 0.01 0.02 0.10 0.00 -0.15 0.00 0.00 54.97 54.95 1j7h s GLU 124 Cb -0.07 -1.30 -0.05 0.00 -0.44 0.00 0.00 34.13 32.27 1j7h s GLU 124 CO 0.00 -0.74 -0.15 0.00 0.95 0.00 0.00 175.26 175.32 1j7h s ALA 125 N 2.26 2.61 0.19 -0.84 0.00 -1.22 -0.97 121.76 123.80 1j7h s ALA 125 Ca 0.06 -1.89 0.08 0.00 0.00 0.00 0.00 51.96 50.21 1j7h s ALA 125 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1j7h s ALA 125 CO -0.16 0.16 -0.01 0.42 0.00 0.00 0.00 175.76 176.16 1j7h s ILE 126 N -2.67 3.60 0.01 0.00 1.09 0.30 -0.27 121.20 123.25 1j7h s ILE 126 Ca 0.29 -1.54 -0.04 0.00 -1.10 0.00 0.00 60.65 58.26 1j7h s ILE 126 Cb -0.02 -2.83 -0.01 0.00 -1.06 0.00 0.00 42.46 38.55 1j7h s ILE 126 CO 0.13 -0.15 0.06 0.00 -0.10 0.00 0.00 174.94 174.88 1j7h s ALA 127 N -1.82 -0.11 0.55 9.38 0.00 -0.91 -0.67 121.76 128.18 1j7h s ALA 127 Ca 0.28 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.91 1j7h s ALA 127 Cb -0.09 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1j7h s ALA 127 CO 0.18 -0.19 0.29 0.14 0.00 0.00 0.00 175.76 176.18 1j7h s VAL 128 N -1.43 1.38 -0.35 0.00 -7.23 -1.18 0.13 120.40 111.72 1j7h s VAL 128 Ca -0.15 -1.65 0.10 0.00 -1.81 0.00 0.00 61.98 58.46 1j7h s VAL 128 Cb -0.09 -2.04 0.35 0.00 0.56 0.00 0.00 36.38 35.17 1j7h s VAL 128 CO 0.00 0.00 1.37 -1.14 -0.31 0.00 0.00 175.10 175.02 1j7h n ARG 129 N -1.65 1.13 0.00 4.82 0.63 0.46 -4.79 116.66 117.26 1j7h n ARG 129 Ca -0.08 -1.41 0.14 0.00 -0.92 0.00 0.00 57.85 55.57 1j7h n ARG 129 Cb 0.65 0.15 0.46 0.00 0.45 0.00 0.00 32.46 34.17 1j7h n ARG 129 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75