#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 2.99 -3.65 2.12 0.00 -1.26 -4.90 117.12 112.42 1j7h n MET 2 Ca 0.00 -4.49 -0.00 0.00 0.00 0.00 0.00 57.70 53.21 1j7h n MET 2 Cb 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 33.22 31.02 1j7h n MET 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1j7h s THR 3 N -4.66 0.00 -0.29 2.03 -4.23 -1.21 -4.49 115.64 102.79 1j7h s THR 3 Ca 0.46 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.80 1j7h s THR 3 Cb 0.35 -1.00 0.16 0.00 1.34 0.00 0.00 72.50 73.35 1j7h s THR 3 CO -0.14 0.00 1.08 -1.58 -0.54 0.00 0.00 174.62 173.44 1j7h s GLN 4 N 0.54 0.28 0.79 3.99 -0.44 -0.64 -4.98 119.66 119.19 1j7h s GLN 4 Ca -0.00 0.46 -0.14 0.00 -2.50 0.00 0.00 55.36 53.17 1j7h s GLN 4 Cb -0.04 0.07 0.06 0.00 -1.64 0.00 0.00 33.01 31.46 1j7h s GLN 4 CO -0.13 -0.05 1.14 -0.89 0.50 0.00 0.00 175.29 175.86 1j7h n ILE 5 N 3.32 2.32 -5.17 -2.34 2.08 -1.26 -1.38 119.36 116.92 1j7h n ILE 5 Ca -0.17 -0.26 -0.31 0.00 0.56 0.00 0.00 62.75 62.57 1j7h n ILE 5 Cb 0.57 -1.18 -0.17 0.00 -0.75 0.00 0.00 39.64 38.11 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 -2.02 1.94 -0.03 1.39 1.01 0.31 -4.77 121.20 119.02 1j7h s ILE 6 Ca 0.73 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 1j7h s ILE 6 Cb -0.30 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.55 1j7h s ILE 6 CO 0.51 0.54 0.41 -2.28 0.00 0.00 0.00 174.94 174.11 1j7h s HIS 7 N 0.04 -0.32 0.18 3.97 2.46 -1.26 -3.12 115.29 117.24 1j7h s HIS 7 Ca -0.08 0.55 -0.12 0.00 0.47 0.00 0.00 55.06 55.87 1j7h s HIS 7 Cb -0.15 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.49 1j7h s HIS 7 CO 0.05 -0.43 0.39 -0.08 -2.47 0.00 0.00 174.74 172.20 1j7h s THR 8 N -1.17 0.04 -0.37 0.89 -1.32 -1.26 -4.83 115.64 107.63 1j7h s THR 8 Ca -0.12 -1.18 0.08 0.00 -1.21 0.00 0.00 61.69 59.26 1j7h s THR 8 Cb -0.04 -1.79 0.66 0.00 -1.51 0.00 0.00 72.50 69.82 1j7h s THR 8 CO 0.05 -0.20 1.74 -0.62 -2.21 0.00 0.00 174.62 173.38 1j7h n GLU 9 N -0.28 3.19 -0.06 7.08 -0.58 -1.26 -4.31 120.64 124.42 1j7h n GLU 9 Ca -0.08 -2.76 -0.14 0.00 -0.42 0.00 0.00 57.16 53.76 1j7h n GLU 9 Cb 0.63 -2.12 -0.05 0.00 -0.57 0.00 0.00 31.44 29.33 1j7h n GLU 9 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1j7h n LYS 10 N -0.29 0.29 -2.76 3.49 4.76 -1.26 -4.95 118.16 117.44 1j7h n LYS 10 Ca 0.41 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.55 1j7h n LYS 10 Cb 1.36 -0.99 -0.03 0.00 -1.84 0.00 0.00 35.03 33.52 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 -2.27 3.39 -0.67 7.82 0.00 -1.26 -4.91 121.76 123.86 1j7h s ALA 11 Ca -0.19 -0.41 0.17 0.00 0.00 0.00 0.00 51.96 51.53 1j7h s ALA 11 Cb 0.07 -3.60 0.75 0.00 0.00 0.00 0.00 23.12 20.34 1j7h s ALA 11 CO 0.24 -1.67 1.51 -0.35 0.00 0.00 0.00 175.76 175.49 1j7h n PRO 12 N 6.91 0.09 0.00 0.00 -0.04 -1.26 -4.75 135.00 135.95 1j7h n PRO 12 Ca 0.08 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1j7h n PRO 12 Cb 0.48 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1j7h n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j7h n ALA 13 N -1.65 0.00 -0.89 0.55 0.00 -1.26 -4.88 120.51 112.38 1j7h n ALA 13 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1j7h n ALA 13 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -3.00 0.00 -1.07 0.00 0.00 -1.26 -4.92 120.51 110.27 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 -1.68 0.00 0.00 0.00 5.41 -1.25 -4.96 119.36 116.87 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 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 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 -2.58 3.60 1.60 7.39 0.00 -1.26 -4.99 105.19 108.94 1j7h n GLY 16 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 1.53 -3.61 1.61 -0.04 -1.26 -4.86 135.00 128.37 1j7h n PRO 17 Ca 0.00 -1.16 -0.04 0.00 -0.04 0.00 0.00 63.50 62.26 1j7h n PRO 17 Cb 0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.31 -0.12 0.25 0.54 1.13 -1.26 -5.17 117.35 111.42 1j7h s TYR 18 Ca 0.22 0.12 -0.06 0.00 -1.41 0.00 0.00 57.07 55.94 1j7h s TYR 18 Cb 0.18 0.50 -0.06 0.00 -1.10 0.00 0.00 41.96 41.49 1j7h s TYR 18 CO 0.02 -0.16 0.53 0.14 -2.51 0.00 0.00 175.55 173.57 1j7h s VAL 19 N -1.94 5.01 0.36 -3.49 -7.23 -1.26 -3.89 120.40 107.97 1j7h s VAL 19 Ca 0.08 0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.50 1j7h s VAL 19 Cb -0.01 -3.68 0.30 0.00 0.56 0.00 0.00 36.38 33.55 1j7h s VAL 19 CO -0.05 -0.20 1.94 -0.61 -0.31 0.00 0.00 175.10 175.88 1j7h h GLN 20 N 2.10 0.73 -1.37 4.82 4.15 -1.92 -3.44 115.11 120.19 1j7h h GLN 20 Ca -0.47 -0.04 0.29 0.00 0.77 0.00 0.00 58.65 59.20 1j7h h GLN 20 Cb 1.18 -0.17 -0.17 0.00 0.21 0.00 0.00 27.48 28.53 1j7h h GLN 20 CO 0.68 0.48 0.86 0.00 -1.93 0.00 0.00 178.83 178.92 1j7h s ALA 21 N -5.68 -2.16 -0.03 3.38 0.00 -1.18 -2.52 121.76 113.57 1j7h s ALA 21 Ca -0.10 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1j7h s ALA 21 Cb 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 1j7h s ALA 21 CO 0.78 -0.73 -0.15 0.14 0.00 0.00 0.00 175.76 175.80 1j7h s VAL 22 N -2.33 1.21 -0.23 0.00 -7.23 -1.17 0.11 120.40 110.77 1j7h s VAL 22 Ca 0.11 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.62 1j7h s VAL 22 Cb 0.01 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 1j7h s VAL 22 CO -0.04 0.35 -0.01 1.51 -0.31 0.00 0.00 175.10 176.60 1j7h s ASP 23 N -0.05 4.54 0.18 4.85 1.47 -0.48 -2.20 116.67 124.99 1j7h s ASP 23 Ca -0.01 -0.33 0.22 0.00 1.18 0.00 0.00 52.55 53.61 1j7h s ASP 23 Cb -0.09 -1.79 -0.03 0.00 -0.34 0.00 0.00 42.92 40.67 1j7h s ASP 23 CO 0.01 -0.02 0.99 0.18 0.68 0.00 0.00 175.17 177.01 1j7h n LEU 24 N 4.78 0.81 0.00 2.11 7.99 -1.18 -1.63 117.00 129.88 1j7h n LEU 24 Ca -0.18 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1j7h n LEU 24 Cb 0.51 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1j7h n LEU 24 CO 0.30 -0.14 0.00 0.61 -1.51 0.00 0.00 177.39 176.64 1j7h n GLY 25 N 1.21 1.00 0.26 -0.72 0.00 -1.26 -3.86 105.19 101.82 1j7h n GLY 25 Ca -0.01 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.36 1.61 2.35 -1.96 -3.39 115.58 110.83 1j7h h ASN 26 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 1j7h h ASN 26 Cb 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.00 1j7h h ASN 26 CO 0.00 0.02 -0.80 -0.76 -1.65 0.00 0.00 177.43 174.23 1j7h s LEU 27 N -8.79 1.95 0.52 1.61 1.02 -1.26 0.12 118.68 113.84 1j7h s LEU 27 Ca -0.05 -0.77 0.07 0.00 0.02 0.00 0.00 54.13 53.41 1j7h s LEU 27 Cb 0.17 -1.09 0.04 0.00 0.02 0.00 0.00 46.19 45.33 1j7h s LEU 27 CO 0.65 -0.16 0.54 0.68 0.02 0.00 0.00 176.35 178.08 1j7h s VAL 28 N 1.51 2.11 0.13 -1.59 -7.23 0.50 -3.12 120.40 112.70 1j7h s VAL 28 Ca -0.00 -1.27 -0.12 0.00 -1.81 0.00 0.00 61.98 58.78 1j7h s VAL 28 Cb -0.16 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.42 1j7h s VAL 28 CO -0.08 0.00 0.32 -0.76 -0.31 0.00 0.00 175.10 174.27 1j7h s LEU 29 N -4.38 0.80 0.20 1.32 1.02 -0.93 -1.93 118.68 114.78 1j7h s LEU 29 Ca 0.47 -0.56 0.08 0.00 0.02 0.00 0.00 54.13 54.15 1j7h s LEU 29 Cb -0.04 1.49 -0.05 0.00 0.02 0.00 0.00 46.19 47.61 1j7h s LEU 29 CO 0.29 -0.85 -0.15 0.42 0.02 0.00 0.00 176.35 176.08 1j7h s THR 30 N -3.86 1.77 0.48 5.49 -4.23 -0.78 -3.02 115.64 111.49 1j7h s THR 30 Ca 0.07 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1j7h s THR 30 Cb 0.03 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.87 1j7h s THR 30 CO -0.08 -0.55 0.68 -0.44 -0.54 0.00 0.00 174.62 173.70 1j7h s SER 31 N -3.21 5.55 -0.67 3.99 0.01 -1.05 -4.32 113.70 114.00 1j7h s SER 31 Ca 0.21 -0.02 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 1j7h s SER 31 Cb -0.02 -1.04 -0.09 0.00 0.21 0.00 0.00 66.02 65.08 1j7h s SER 31 CO 0.07 -0.89 2.31 -0.83 0.41 0.00 0.00 173.24 174.31 1j7h s GLY 32 N -4.33 -0.48 0.84 3.44 0.00 -1.24 -4.40 107.32 101.15 1j7h s GLY 32 Ca 0.53 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 1j7h s GLY 32 CO 0.37 4.05 1.10 1.20 0.00 0.00 0.00 173.10 179.81 1j7h s GLN 33 N 8.29 1.70 -0.10 2.90 -1.52 0.18 -4.75 119.66 126.37 1j7h s GLN 33 Ca 0.90 0.63 -0.13 0.00 -1.95 0.00 0.00 55.36 54.80 1j7h s GLN 33 Cb -0.14 -1.88 0.03 0.00 -0.22 0.00 0.00 33.01 30.81 1j7h s GLN 33 CO 0.15 -1.88 0.35 0.96 -0.25 0.00 0.00 175.29 174.61 1j7h s ILE 34 N -3.12 0.02 -1.15 1.08 -4.36 -1.26 -2.45 121.20 109.96 1j7h s ILE 34 Ca 0.62 -0.14 -0.07 0.00 -0.26 0.00 0.00 60.65 60.80 1j7h s ILE 34 Cb -0.15 -0.54 -0.08 0.00 1.25 0.00 0.00 42.46 42.94 1j7h s ILE 34 CO 0.55 -0.08 2.51 -0.81 0.24 0.00 0.00 174.94 177.35 1j7h n PRO 35 N 2.39 2.71 -1.82 0.37 -0.04 -1.26 -4.80 135.00 132.55 1j7h n PRO 35 Ca -0.16 -1.72 -0.21 0.00 -0.04 0.00 0.00 63.50 61.38 1j7h n PRO 35 Cb 0.57 -2.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.40 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 2.79 3.26 0.12 0.52 1.01 -0.87 -2.75 120.40 124.48 1j7h s VAL 36 Ca 0.53 -0.35 -0.33 0.00 0.00 0.00 0.00 61.98 61.82 1j7h s VAL 36 Cb 0.14 -3.95 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 1j7h s VAL 36 CO -0.04 -0.50 0.81 -3.20 0.00 0.00 0.00 175.10 172.16 1j7h n ASN 37 N 16.79 -0.46 0.00 3.32 5.15 -1.24 -4.38 115.26 134.44 1j7h n ASN 37 Ca 0.43 1.14 0.12 0.00 -0.60 0.00 0.00 54.58 55.68 1j7h n ASN 37 Cb 0.46 -0.97 0.61 0.00 -0.53 0.00 0.00 39.78 39.34 1j7h n ASN 37 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1j7h n PRO 38 N 1.26 0.33 -0.05 1.20 -0.04 -1.26 0.18 135.00 136.62 1j7h n PRO 38 Ca 0.18 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1j7h n PRO 38 Cb 0.18 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.30 1.84 -0.02 0.55 0.00 -1.26 -4.74 120.51 115.59 1j7h n ALA 39 Ca 0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 1j7h n ALA 39 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1j7h n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j7h n THR 40 N -2.33 0.27 -2.05 0.00 -2.24 -1.19 -5.06 114.28 101.67 1j7h n THR 40 Ca -0.16 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.42 1j7h n THR 40 Cb 0.77 -0.79 0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1j7h n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j7h n GLY 41 N 2.70 0.39 0.04 3.38 0.00 0.47 -4.92 105.19 107.25 1j7h n GLY 41 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.78 0.00 -3.65 1.61 0.28 -1.25 -4.74 120.64 111.12 1j7h n GLU 42 Ca -0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1j7h n GLU 42 Cb 0.53 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.34 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 -0.09 -0.64 0.64 3.84 0.11 -1.11 -2.06 120.40 121.10 1j7h s VAL 43 Ca 0.00 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.89 1j7h s VAL 43 Cb 0.00 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1j7h s VAL 43 CO 0.00 0.01 1.17 -2.65 -3.33 0.00 0.00 175.10 170.30 1j7h n PRO 44 N 5.07 1.00 0.14 1.54 -0.02 -1.25 -4.86 135.00 136.62 1j7h n PRO 44 Ca -0.15 0.39 -0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1j7h n PRO 44 Cb 0.52 -2.40 0.26 0.00 -0.02 0.00 0.00 33.50 31.86 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 0.44 1.17 -1.29 3.55 0.00 -1.99 -3.41 119.26 117.73 1j7h h ALA 45 Ca -0.50 -0.43 -0.47 0.00 0.00 0.00 0.00 54.91 53.51 1j7h h ALA 45 Cb 1.35 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1j7h h ALA 45 CO 0.52 0.60 1.19 0.34 0.00 0.00 0.00 179.25 181.90 1j7h s ASP 46 N -6.89 5.41 0.51 0.00 2.15 -1.26 -4.83 116.67 111.76 1j7h s ASP 46 Ca -0.03 -0.05 0.41 0.00 0.43 0.00 0.00 52.55 53.31 1j7h s ASP 46 Cb 0.14 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.81 1j7h s ASP 46 CO 0.75 -2.35 1.63 -0.29 -0.17 0.00 0.00 175.17 174.74 1j7h h ILE 47 N 6.85 0.11 0.03 4.11 6.09 -1.99 0.58 117.51 133.30 1j7h h ILE 47 Ca -0.17 -0.01 -0.07 0.00 -1.37 0.00 0.00 64.86 63.24 1j7h h ILE 47 Cb 1.11 0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1j7h h ILE 47 CO 1.23 0.01 -0.35 0.58 -3.07 0.00 0.00 178.15 176.55 1j7h h VAL 48 N 0.03 1.62 -0.87 2.19 2.07 -1.94 -2.63 116.25 116.72 1j7h h VAL 48 Ca 0.84 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1j7h h VAL 48 Cb 3.10 3.22 -0.04 0.00 -1.52 0.00 0.00 31.29 36.04 1j7h h VAL 48 CO -0.16 0.61 0.54 0.00 0.02 0.00 0.00 177.57 178.58 1j7h h ALA 49 N -0.03 1.11 -0.03 1.67 0.00 -0.79 -0.64 119.26 120.54 1j7h h ALA 49 Ca -0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1j7h h ALA 49 Cb 1.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1j7h h ALA 49 CO 0.01 0.55 -0.49 -0.56 0.00 0.00 0.00 179.25 178.76 1j7h h GLN 50 N 1.19 0.08 -0.22 0.00 3.07 -0.19 -0.54 115.11 118.50 1j7h h GLN 50 Ca 0.32 -0.04 -0.17 0.00 0.09 0.00 0.00 58.65 58.84 1j7h h GLN 50 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.48 1j7h h GLN 50 CO -0.06 0.56 -0.56 0.00 0.09 0.00 0.00 178.83 178.86 1j7h h ALA 51 N 1.44 0.61 0.11 0.06 0.00 -0.94 -2.99 119.26 117.54 1j7h h ALA 51 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 54.91 54.12 1j7h h ALA 51 Cb 0.90 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1j7h h ALA 51 CO 0.07 0.69 -1.19 0.07 0.00 0.00 0.00 179.25 178.89 1j7h h ARG 52 N 0.51 0.33 -0.66 0.00 0.11 -1.01 -3.13 114.38 110.54 1j7h h ARG 52 Ca 0.01 -0.50 0.03 0.00 0.10 0.00 0.00 59.98 59.62 1j7h h ARG 52 Cb 1.13 0.18 -0.04 0.00 1.11 0.00 0.00 29.97 32.35 1j7h h ARG 52 CO 0.11 1.21 0.43 0.37 0.10 0.00 0.00 179.97 182.20 1j7h h GLN 53 N 0.12 0.76 -0.01 0.08 5.75 -1.11 0.31 115.11 121.02 1j7h h GLN 53 Ca -0.13 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.15 1j7h h GLN 53 Cb 1.89 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 30.25 1j7h h GLN 53 CO 0.20 0.51 -0.77 1.03 -2.65 0.00 0.00 178.83 177.14 1j7h h SER 54 N 0.79 0.16 0.11 -0.69 0.87 -1.58 -2.68 113.55 110.53 1j7h h SER 54 Ca 0.26 -0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.52 1j7h h SER 54 Cb 0.06 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1j7h h SER 54 CO -0.07 0.87 -0.68 -0.07 -0.53 0.00 0.00 176.83 176.34 1j7h h LEU 55 N 0.08 0.61 -0.26 2.23 3.38 -1.19 -2.81 115.31 117.35 1j7h h LEU 55 Ca -0.02 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1j7h h LEU 55 Cb 1.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1j7h h LEU 55 CO 0.11 1.12 -0.16 -0.08 0.09 0.00 0.00 178.44 179.52 1j7h h GLU 56 N 0.37 0.56 -0.39 1.13 4.22 -0.97 -2.68 114.58 116.82 1j7h h GLU 56 Ca -0.02 -0.26 0.02 0.00 0.08 0.00 0.00 59.36 59.18 1j7h h GLU 56 Cb 1.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1j7h h GLU 56 CO 0.12 0.83 0.22 -0.91 -2.18 0.00 0.00 179.01 177.09 1j7h h ASN 57 N 0.28 0.34 -0.15 1.04 2.35 -1.50 0.24 115.58 118.18 1j7h h ASN 57 Ca 0.05 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1j7h h ASN 57 Cb 0.68 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1j7h h ASN 57 CO 0.04 0.24 0.08 0.58 -1.65 0.00 0.00 177.43 176.73 1j7h h VAL 58 N 0.44 1.07 0.06 2.81 2.07 -1.49 -1.70 116.25 119.51 1j7h h VAL 58 Ca 0.16 -0.20 -0.25 0.00 0.82 0.00 0.00 66.70 67.23 1j7h h VAL 58 Cb 0.03 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1j7h h VAL 58 CO -0.09 0.08 -1.16 0.50 0.02 0.00 0.00 177.57 176.92 1j7h h LYS 59 N 0.25 0.13 -0.33 1.57 3.64 -0.96 -3.12 116.57 117.74 1j7h h LYS 59 Ca 0.06 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 1j7h h LYS 59 Cb 0.04 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1j7h h LYS 59 CO -0.01 1.09 -0.20 0.00 -2.27 0.00 0.00 179.45 178.05 1j7h h ALA 60 N 0.79 1.02 -0.19 5.00 0.00 0.24 -0.70 119.26 125.41 1j7h h ALA 60 Ca -0.09 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1j7h h ALA 60 Cb 1.88 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1j7h h ALA 60 CO 0.16 0.58 -0.18 0.82 0.00 0.00 0.00 179.25 180.64 1j7h h ILE 61 N 0.56 1.33 -0.34 0.00 2.04 -1.41 -0.92 117.51 118.77 1j7h h ILE 61 Ca 0.09 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.53 1j7h h ILE 61 Cb 0.66 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1j7h h ILE 61 CO 0.05 0.40 -0.11 0.40 0.00 0.00 0.00 178.15 178.89 1j7h h ILE 62 N 0.12 1.24 -0.31 -0.67 2.04 -1.47 -2.60 117.51 115.85 1j7h h ILE 62 Ca 0.03 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 1j7h h ILE 62 Cb 0.72 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1j7h h ILE 62 CO 0.05 0.35 -0.21 -0.33 0.00 0.00 0.00 178.15 178.00 1j7h h GLU 63 N 0.54 0.69 0.00 2.37 5.08 -1.03 -1.69 114.58 120.53 1j7h h GLU 63 Ca 0.10 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1j7h h GLU 63 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1j7h h GLU 63 CO 0.03 0.93 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.75 1j7h h LYS 64 N 0.45 0.00 0.00 2.33 1.63 -0.92 -0.61 116.57 119.45 1j7h h LYS 64 Ca 0.06 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.63 1j7h h LYS 64 Cb 0.76 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.35 1j7h h LYS 64 CO 0.06 0.01 -1.46 0.00 -3.45 0.00 0.00 179.45 174.60 1j7h h ALA 65 N 1.99 0.68 0.00 5.00 0.00 -1.08 -3.48 119.26 122.38 1j7h h ALA 65 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1j7h h ALA 65 Cb 0.06 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j7h h ALA 65 CO 0.00 1.27 0.00 0.41 0.00 0.00 0.00 179.25 180.94 1j7h n GLY 66 N 1.46 0.71 3.46 0.00 0.00 -0.23 -5.11 105.19 105.48 1j7h n GLY 66 Ca -0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1j7h n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j7h s LEU 67 N 0.00 -0.52 0.22 0.99 0.20 -0.78 -4.99 118.68 113.79 1j7h s LEU 67 Ca 0.00 0.13 0.10 0.00 0.69 0.00 0.00 54.13 55.05 1j7h s LEU 67 Cb 0.00 2.41 -0.04 0.00 -0.43 0.00 0.00 46.19 48.13 1j7h s LEU 67 CO 0.00 -0.80 -0.10 0.42 -0.29 0.00 0.00 176.35 175.58 1j7h s THR 68 N -3.08 3.09 0.37 3.68 -4.23 -1.26 -3.03 115.64 111.17 1j7h s THR 68 Ca 0.00 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1j7h s THR 68 Cb -0.01 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.55 1j7h s THR 68 CO -0.08 -0.23 1.97 0.00 -0.54 0.00 0.00 174.62 175.75 1j7h h ALA 69 N 2.54 1.71 -0.63 3.99 0.00 -1.96 -1.26 119.26 123.65 1j7h h ALA 69 Ca -0.45 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.62 1j7h h ALA 69 Cb 1.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1j7h h ALA 69 CO 0.56 0.20 0.61 0.00 0.00 0.00 0.00 179.25 180.61 1j7h h ALA 70 N 1.62 2.43 0.00 0.00 0.00 -1.90 0.82 119.26 122.22 1j7h h ALA 70 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1j7h h ALA 70 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1j7h h ALA 70 CO -0.09 -0.93 -0.51 -0.44 0.00 0.00 0.00 179.25 177.28 1j7h h ASP 71 N 0.00 0.00 -1.87 0.00 5.19 -1.52 -3.46 116.42 114.77 1j7h h ASP 71 Ca 0.30 -0.04 -0.63 0.00 -0.62 0.00 0.00 57.03 56.04 1j7h h ASP 71 Cb 1.51 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.03 1j7h h ASP 71 CO -0.00 0.02 1.17 -0.38 -3.12 0.00 0.00 179.24 176.92 1j7h n ILE 72 N -2.69 0.50 0.01 0.35 -0.00 0.28 -2.94 119.36 114.87 1j7h n ILE 72 Ca 0.02 -0.15 -0.13 0.00 -0.00 0.00 0.00 62.75 62.49 1j7h n ILE 72 Cb 0.51 -1.86 -0.14 0.00 -0.00 0.00 0.00 39.64 38.15 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 5.81 0.92 -2.88 1.39 -1.51 -1.79 -3.36 116.25 114.84 1j7h h VAL 73 Ca -0.45 -2.69 -0.47 0.00 -1.23 0.00 0.00 66.70 61.87 1j7h h VAL 73 Cb 1.28 2.55 -0.14 0.00 -2.13 0.00 0.00 31.29 32.85 1j7h h VAL 73 CO 0.96 0.70 -0.61 -0.75 -1.23 0.00 0.00 177.57 176.64 1j7h s LYS 74 N -2.60 1.63 -0.30 5.19 2.20 -1.21 0.04 119.74 124.69 1j7h s LYS 74 Ca -0.09 -1.90 -0.11 0.00 -0.36 0.00 0.00 55.97 53.50 1j7h s LYS 74 Cb 0.08 -0.85 0.18 0.00 -1.51 0.00 0.00 37.83 35.72 1j7h s LYS 74 CO 0.82 -0.18 0.95 0.95 -0.36 0.00 0.00 175.35 177.52 1j7h s THR 75 N -3.31 -0.50 0.09 3.43 -4.23 0.18 -3.15 115.64 108.15 1j7h s THR 75 Ca 0.36 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1j7h s THR 75 Cb 0.09 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1j7h s THR 75 CO 0.15 0.00 0.24 -0.89 -0.54 0.00 0.00 174.62 173.58 1j7h s THR 76 N 2.79 5.37 -0.11 3.99 2.01 0.16 -2.88 115.64 126.97 1j7h s THR 76 Ca 0.02 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1j7h s THR 76 Cb -0.10 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.79 1j7h s THR 76 CO -0.15 0.06 0.24 0.68 -0.69 0.00 0.00 174.62 174.76 1j7h s VAL 77 N -1.59 -0.08 -0.16 3.82 -7.23 -1.19 -3.02 120.40 110.94 1j7h s VAL 77 Ca 0.35 0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 60.64 1j7h s VAL 77 Cb -0.12 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 1j7h s VAL 77 CO 0.28 0.07 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.77 1j7h s PHE 78 N 1.39 3.09 0.10 2.82 0.08 -1.18 -2.17 117.98 122.11 1j7h s PHE 78 Ca -0.08 -0.21 0.09 0.00 0.12 0.00 0.00 56.93 56.85 1j7h s PHE 78 Cb -0.11 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1j7h s PHE 78 CO -0.08 0.01 -0.22 0.14 -0.10 0.00 0.00 175.22 174.96 1j7h s VAL 79 N 0.39 1.84 -1.82 -0.44 -7.23 -0.75 -1.80 120.40 110.59 1j7h s VAL 79 Ca -0.02 -1.56 0.27 0.00 -1.81 0.00 0.00 61.98 58.86 1j7h s VAL 79 Cb -0.14 -1.65 0.37 0.00 0.56 0.00 0.00 36.38 35.52 1j7h s VAL 79 CO 0.02 0.00 1.69 0.29 -0.31 0.00 0.00 175.10 176.79 1j7h n LYS 80 N 1.12 0.90 -3.42 4.82 5.02 -1.19 -1.54 118.16 123.88 1j7h n LYS 80 Ca -0.19 -0.47 0.01 0.00 -2.02 0.00 0.00 58.31 55.64 1j7h n LYS 80 Cb 0.53 -1.49 -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 0.34 -0.52 0.00 0.00 177.40 177.22 1j7h s ASP 81 N -2.42 -1.22 0.07 4.39 2.15 -1.26 -4.94 116.67 113.44 1j7h s ASP 81 Ca 0.28 1.23 0.13 0.00 0.43 0.00 0.00 52.55 54.62 1j7h s ASP 81 Cb 0.20 2.21 0.56 0.00 -0.30 0.00 0.00 42.92 45.59 1j7h s ASP 81 CO 0.48 -0.23 1.40 0.18 -0.17 0.00 0.00 175.17 176.83 1j7h n LEU 82 N 5.43 0.16 0.19 -1.34 4.77 -1.26 -1.52 117.00 123.43 1j7h n LEU 82 Ca -0.07 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 1j7h n LEU 82 Cb 0.50 -0.54 0.20 0.00 -2.33 0.00 0.00 43.42 41.24 1j7h n LEU 82 CO -0.01 -0.43 0.76 0.78 -1.33 0.00 0.00 177.39 177.15 1j7h h ASN 83 N 0.00 0.00 1.27 -1.43 2.35 -2.00 -3.19 115.58 112.58 1j7h h ASN 83 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j7h h ASN 83 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1j7h h ASN 83 CO 0.00 0.00 -0.69 0.44 -1.65 0.00 0.00 177.43 175.54 1j7h h ASP 84 N 0.00 0.00 -0.02 5.81 3.32 -1.70 -3.32 116.42 120.51 1j7h h ASP 84 Ca 0.00 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1j7h h ASP 84 Cb 0.95 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1j7h h ASP 84 CO 0.00 0.01 0.10 0.15 -1.72 0.00 0.00 179.24 177.78 1j7h h PHE 85 N 0.00 0.00 -0.98 4.55 3.57 -1.61 -2.11 116.94 120.37 1j7h h PHE 85 Ca 0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1j7h h PHE 85 Cb 0.98 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.63 1j7h h PHE 85 CO 0.00 0.00 0.61 0.00 -2.23 0.00 0.00 178.31 176.69 1j7h h ALA 86 N 1.82 1.64 0.00 2.41 0.00 -1.77 0.85 119.26 124.21 1j7h h ALA 86 Ca 0.01 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1j7h h ALA 86 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j7h h ALA 86 CO -0.00 0.08 -1.47 0.00 0.00 0.00 0.00 179.25 177.87 1j7h h ALA 87 N 1.58 0.66 -0.11 0.00 0.00 -1.68 -3.12 119.26 116.59 1j7h h ALA 87 Ca 0.50 -1.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 1j7h h ALA 87 Cb 0.64 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1j7h h ALA 87 CO -0.27 1.39 -0.34 0.28 0.00 0.00 0.00 179.25 180.31 1j7h h VAL 88 N 0.00 1.38 -0.51 0.00 2.07 -1.21 -2.62 116.25 115.36 1j7h h VAL 88 Ca -0.20 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 1j7h h VAL 88 Cb 1.88 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.77 1j7h h VAL 88 CO 0.09 0.49 0.07 -1.13 0.02 0.00 0.00 177.57 177.11 1j7h h ASN 89 N 0.00 0.83 -0.43 0.57 -0.73 0.53 1.12 115.58 117.47 1j7h h ASN 89 Ca -0.01 -0.27 0.00 0.00 1.87 0.00 0.00 56.30 57.90 1j7h h ASN 89 Cb 0.96 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 1j7h h ASN 89 CO 0.07 0.88 0.28 0.00 -0.37 0.00 0.00 177.43 178.30 1j7h h ALA 90 N 0.97 1.67 0.00 1.57 0.00 -1.58 -2.21 119.26 119.68 1j7h h ALA 90 Ca 0.15 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1j7h h ALA 90 Cb 0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1j7h h ALA 90 CO 0.01 0.30 -1.57 0.39 0.00 0.00 0.00 179.25 178.38 1j7h n GLU 91 N -4.46 0.63 -0.11 0.00 4.71 -0.99 -3.02 120.64 117.40 1j7h n GLU 91 Ca 0.04 0.24 -0.05 0.00 -0.01 0.00 0.00 57.16 57.37 1j7h n GLU 91 Cb 0.06 -1.79 0.02 0.00 -1.01 0.00 0.00 31.44 28.72 1j7h n GLU 91 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 1j7h h TYR 92 N 0.00 -0.03 0.00 -0.32 3.20 0.19 0.15 116.97 120.16 1j7h h TYR 92 Ca -0.22 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.48 1j7h h TYR 92 Cb 1.77 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 40.08 1j7h h TYR 92 CO 0.00 -0.07 -1.18 1.49 -1.64 0.00 0.00 178.16 176.76 1j7h h GLU 93 N 0.09 0.00 0.00 1.82 4.81 -1.65 -3.20 114.58 116.46 1j7h h GLU 93 Ca 0.18 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1j7h h GLU 93 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1j7h h GLU 93 CO -0.30 0.54 -0.02 0.00 -0.73 0.00 0.00 179.01 178.50 1j7h h ARG 94 N 0.00 0.00 0.11 1.92 2.47 -1.37 -3.12 114.38 114.40 1j7h h ARG 94 Ca -0.12 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.24 1j7h h ARG 94 Cb 1.67 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.97 1j7h h ARG 94 CO 0.08 0.02 -1.96 1.97 0.56 0.00 0.00 179.97 180.63 1j7h n PHE 95 N -3.11 1.25 0.28 3.04 1.16 0.50 -3.14 117.46 117.44 1j7h n PHE 95 Ca 0.02 0.28 -0.18 0.00 -1.87 0.00 0.00 57.45 55.70 1j7h n PHE 95 Cb 0.38 -1.17 -0.09 0.00 -1.61 0.00 0.00 39.48 36.99 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 0.07 -1.25 0.00 2.97 0.04 -1.55 -0.42 116.94 116.79 1j7h h PHE 96 Ca -0.41 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.33 1j7h h PHE 96 Cb 2.04 0.48 -0.01 0.00 2.20 0.00 0.00 35.95 40.66 1j7h h PHE 96 CO 0.07 -0.63 -0.19 -0.22 -0.60 0.00 0.00 178.31 176.74 1j7h h LYS 97 N -0.94 0.00 0.00 1.51 1.63 -1.67 1.22 116.57 118.31 1j7h h LYS 97 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1j7h h LYS 97 Cb 0.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1j7h h LYS 97 CO -0.05 0.19 0.00 0.39 -3.45 0.00 0.00 179.45 176.53 1j7h n GLU 98 N -4.04 0.16 -0.00 1.90 1.02 -0.77 -2.47 120.64 116.44 1j7h n GLU 98 Ca -0.02 0.32 0.04 0.00 -0.02 0.00 0.00 57.16 57.48 1j7h n GLU 98 Cb 0.27 -1.77 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.07 0.62 -0.00 1.62 3.02 -0.24 -4.99 115.26 113.22 1j7h n ASN 99 Ca 0.03 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 1j7h n ASN 99 Cb 0.27 1.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.47 1j7h n ASN 99 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1j7h n ASN 100 N -1.27 -0.03 -2.92 6.41 6.94 -0.01 -4.89 115.26 119.49 1j7h n ASN 100 Ca 0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.27 1j7h n ASN 100 Cb 0.15 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 37.55 1j7h n ASN 100 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1j7h n HIS 101 N -0.73 3.60 0.36 -2.53 -0.00 0.40 -4.65 115.22 111.66 1j7h n HIS 101 Ca 0.00 -3.39 0.12 0.00 -0.00 0.00 0.00 57.72 54.45 1j7h n HIS 101 Cb 0.01 -0.55 0.53 0.00 -0.00 0.00 0.00 29.99 29.98 1j7h n HIS 101 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1j7h h PRO 102 N 3.07 0.00 -0.78 -0.41 0.13 -1.89 -3.15 132.00 128.97 1j7h h PRO 102 Ca 0.28 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.52 1j7h h PRO 102 Cb 0.54 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.59 1j7h h PRO 102 CO 0.94 0.00 0.40 -0.91 -0.23 0.00 0.00 178.00 178.20 1j7h h ASN 103 N 0.00 0.52 -3.91 1.44 2.35 -1.88 -3.48 115.58 110.63 1j7h h ASN 103 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1j7h h ASN 103 Cb 0.33 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1j7h h ASN 103 CO 0.00 0.27 -0.29 0.49 -1.65 0.00 0.00 177.43 176.25 1j7h n PHE 104 N -4.84 -1.52 -1.13 1.19 3.72 -1.19 -5.00 117.46 108.69 1j7h n PHE 104 Ca 0.14 0.64 -0.34 0.00 -0.05 0.00 0.00 57.45 57.84 1j7h n PHE 104 Cb 0.33 -2.55 0.12 0.00 -0.94 0.00 0.00 39.48 36.44 1j7h n PHE 104 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1j7h n PRO 105 N -0.13 0.21 -0.94 -1.08 -0.04 -1.26 -4.94 135.00 126.82 1j7h n PRO 105 Ca 0.03 0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.29 1j7h n PRO 105 Cb 0.11 -2.39 0.10 0.00 -0.04 0.00 0.00 33.50 31.28 1j7h n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j7h n ALA 106 N -3.21 -2.44 -2.73 0.55 0.00 0.11 -4.62 120.51 108.16 1j7h n ALA 106 Ca 0.13 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 1j7h n ALA 106 Cb 0.50 -1.78 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 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 -3.29 0.57 -0.41 0.00 3.52 -1.26 -0.65 118.95 117.43 1j7h s ARG 107 Ca 0.58 -0.33 0.09 0.00 -0.13 0.00 0.00 55.73 55.95 1j7h s ARG 107 Cb -0.25 -0.53 0.29 0.00 -1.56 0.00 0.00 34.95 32.90 1j7h s ARG 107 CO 0.66 0.14 0.63 0.45 -0.81 0.00 0.00 175.30 176.37 1j7h n SER 108 N 2.70 0.89 -4.71 -2.12 2.88 -1.14 -4.99 113.62 107.13 1j7h n SER 108 Ca -0.14 -2.91 -0.42 0.00 -1.33 0.00 0.00 58.87 54.07 1j7h n SER 108 Cb 0.57 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.82 0.03 -0.83 0.00 -7.23 -0.92 -5.00 120.40 107.27 1j7h s VAL 110 Ca 0.52 -0.22 -0.22 0.00 -1.81 0.00 0.00 61.98 60.25 1j7h s VAL 110 Cb -0.22 -0.51 0.09 0.00 0.56 0.00 0.00 36.38 36.30 1j7h s VAL 110 CO 0.29 -0.12 1.13 -0.70 -0.31 0.00 0.00 175.10 175.38 1j7h s GLU 111 N -0.48 3.38 0.72 4.82 2.12 -1.26 -1.81 118.70 126.19 1j7h s GLU 111 Ca -0.06 -1.18 -0.11 0.00 0.36 0.00 0.00 54.97 53.98 1j7h s GLU 111 Cb -0.04 -4.67 0.02 0.00 0.26 0.00 0.00 34.13 29.71 1j7h s GLU 111 CO 0.02 -1.89 1.07 0.14 -0.54 0.00 0.00 175.26 174.06 1j7h s VAL 112 N 3.82 3.83 0.18 3.70 -7.23 -0.59 -4.94 120.40 119.17 1j7h s VAL 112 Ca 0.31 0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 61.03 1j7h s VAL 112 Cb -0.09 -3.26 -0.05 0.00 0.56 0.00 0.00 36.38 33.53 1j7h s VAL 112 CO -0.00 -0.77 1.49 0.00 -0.31 0.00 0.00 175.10 175.51 1j7h h ALA 113 N -0.81 0.66 -2.92 1.32 0.00 -1.95 -3.42 119.26 112.14 1j7h h ALA 113 Ca -0.44 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.03 1j7h h ALA 113 Cb 1.22 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1j7h h ALA 113 CO 0.55 0.68 0.26 0.50 0.00 0.00 0.00 179.25 181.24 1j7h s ARG 114 N -4.07 1.57 0.04 0.00 3.52 -1.26 -5.04 118.95 113.70 1j7h s ARG 114 Ca -0.08 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 54.67 1j7h s ARG 114 Cb 0.11 0.58 -0.01 0.00 -1.56 0.00 0.00 34.95 34.07 1j7h s ARG 114 CO 0.85 -0.71 0.08 -0.51 -0.81 0.00 0.00 175.30 174.20 1j7h s LEU 115 N -2.86 1.88 0.26 -0.88 1.43 -1.26 -5.08 118.68 112.17 1j7h s LEU 115 Ca 0.08 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 1j7h s LEU 115 Cb -0.04 0.57 -0.13 0.00 0.03 0.00 0.00 46.19 46.62 1j7h s LEU 115 CO 0.01 -0.53 1.40 -0.81 0.23 0.00 0.00 176.35 176.64 1j7h n PRO 116 N 0.65 2.11 -1.35 1.29 -0.04 -1.26 -1.29 135.00 135.11 1j7h n PRO 116 Ca -0.18 0.75 -0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1j7h n PRO 116 Cb 0.59 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.74 -0.76 -2.00 0.54 3.00 -1.26 -2.95 118.16 116.47 1j7h n LYS 117 Ca 0.10 0.87 -0.08 0.00 -0.00 0.00 0.00 58.31 59.21 1j7h n LYS 117 Cb 0.33 -4.84 -0.01 0.00 0.00 0.00 0.00 35.03 30.51 1j7h n LYS 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1j7h n ASP 118 N 0.23 -2.49 -3.89 3.14 5.68 -0.41 -4.76 116.55 114.04 1j7h n ASP 118 Ca -0.11 0.27 -0.28 0.00 -0.50 0.00 0.00 54.79 54.17 1j7h n ASP 118 Cb 0.37 -2.29 0.23 0.00 -1.14 0.00 0.00 41.12 38.28 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1j7h n VAL 119 N -2.47 0.00 0.51 2.12 0.24 -1.15 -4.94 118.33 112.63 1j7h n VAL 119 Ca -0.08 -0.21 0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1j7h n VAL 119 Cb 0.45 -0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 32.00 1j7h n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j7h n GLY 120 N 1.85 -1.14 3.61 7.63 0.00 -1.26 -4.73 105.19 111.14 1j7h n GLY 120 Ca 0.06 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.95 -0.25 0.37 0.99 -0.00 -1.26 -3.14 118.68 111.44 1j7h s LEU 121 Ca 0.02 0.30 0.08 0.00 -0.00 0.00 0.00 54.13 54.53 1j7h s LEU 121 Cb 0.14 1.58 -0.06 0.00 -0.00 0.00 0.00 46.19 47.85 1j7h s LEU 121 CO 0.83 -0.21 0.05 -1.61 -0.00 0.00 0.00 176.35 175.41 1j7h s GLU 122 N -0.94 2.08 -0.04 1.48 2.02 -0.75 -4.41 118.70 118.15 1j7h s GLU 122 Ca 0.02 -1.85 -0.02 0.00 0.02 0.00 0.00 54.97 53.14 1j7h s GLU 122 Cb -0.01 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.37 1j7h s GLU 122 CO -0.03 0.03 0.09 0.42 0.02 0.00 0.00 175.26 175.79 1j7h s ILE 123 N -2.58 -0.04 -0.23 -1.63 -1.09 -1.03 -3.13 121.20 111.47 1j7h s ILE 123 Ca 0.36 0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.88 1j7h s ILE 123 Cb 0.03 -0.15 0.11 0.00 -1.58 0.00 0.00 42.46 40.87 1j7h s ILE 123 CO 0.20 0.07 0.45 -1.83 -1.23 0.00 0.00 174.94 172.60 1j7h s GLU 124 N 0.93 0.38 0.29 2.79 4.04 -1.17 0.52 118.70 126.47 1j7h s GLU 124 Ca -0.07 1.01 0.04 0.00 0.04 0.00 0.00 54.97 55.99 1j7h s GLU 124 Cb -0.10 0.29 -0.03 0.00 0.02 0.00 0.00 34.13 34.30 1j7h s GLU 124 CO -0.04 -0.33 0.23 0.00 -1.84 0.00 0.00 175.26 173.29 1j7h s ALA 125 N 2.66 1.58 0.20 -0.84 0.00 -1.26 -0.67 121.76 123.43 1j7h s ALA 125 Ca 0.01 -1.93 0.11 0.00 0.00 0.00 0.00 51.96 50.16 1j7h s ALA 125 Cb -0.13 1.44 -0.04 0.00 0.00 0.00 0.00 23.12 24.39 1j7h s ALA 125 CO -0.15 -0.64 -0.23 0.42 0.00 0.00 0.00 175.76 175.16 1j7h s ILE 126 N -3.68 2.38 0.03 0.00 1.01 -1.19 -1.86 121.20 117.89 1j7h s ILE 126 Ca 0.40 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1j7h s ILE 126 Cb 0.04 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1j7h s ILE 126 CO 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 174.94 174.98 1j7h s ALA 127 N -1.74 0.22 -0.10 9.38 0.00 -0.81 -2.51 121.76 126.20 1j7h s ALA 127 Ca 0.22 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1j7h s ALA 127 Cb -0.08 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1j7h s ALA 127 CO 0.10 -0.15 -0.16 0.14 0.00 0.00 0.00 175.76 175.69 1j7h s VAL 128 N -1.63 1.52 -0.55 0.00 -7.23 -1.15 -0.37 120.40 110.98 1j7h s VAL 128 Ca -0.13 -0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.35 1j7h s VAL 128 Cb -0.09 -1.37 0.29 0.00 0.56 0.00 0.00 36.38 35.77 1j7h s VAL 128 CO -0.01 0.44 2.17 -1.14 -0.31 0.00 0.00 175.10 176.25 1j7h n ARG 129 N 4.06 2.37 -0.51 4.82 0.63 0.32 -4.74 116.66 123.61 1j7h n ARG 129 Ca -0.20 -2.61 0.00 0.00 -0.92 0.00 0.00 57.85 54.13 1j7h n ARG 129 Cb 0.51 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.38 1j7h n ARG 129 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75