#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 3.52 0.09 3.17 1.00 -1.26 -4.53 119.30 121.29 1j7h s MET 2 Ca 0.00 2.34 0.00 0.00 0.00 0.00 0.00 55.69 58.03 1j7h s MET 2 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 34.83 32.31 1j7h s MET 2 CO 0.00 -0.93 0.00 2.41 0.00 0.00 0.00 175.02 176.50 1j7h n THR 3 N -0.46-13.03 -3.83 2.05 -1.04 -1.15 -5.01 114.28 91.81 1j7h n THR 3 Ca 0.07 3.14 -0.27 0.00 -2.04 0.00 0.00 64.05 64.94 1j7h n THR 3 Cb 0.43 -5.77 -0.17 0.00 -1.82 0.00 0.00 70.33 63.01 1j7h n THR 3 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1j7h s GLN 4 N -0.71 1.09 0.19 -2.82 -1.52 0.31 -4.93 119.66 111.26 1j7h s GLN 4 Ca 0.00 -0.39 -0.33 0.00 -1.95 0.00 0.00 55.36 52.69 1j7h s GLN 4 Cb 0.00 -1.86 -0.14 0.00 -0.22 0.00 0.00 33.01 30.79 1j7h s GLN 4 CO 0.00 -0.47 1.42 1.51 -0.25 0.00 0.00 175.29 177.51 1j7h n ILE 5 N 4.96 0.53 -3.81 1.08 0.13 -1.26 -1.92 119.36 119.07 1j7h n ILE 5 Ca -0.10 -0.13 -0.35 0.00 -1.10 0.00 0.00 62.75 61.06 1j7h n ILE 5 Cb 0.48 -1.33 -0.05 0.00 -0.84 0.00 0.00 39.64 37.89 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 0.29 5.38 -0.30 9.51 -1.09 -0.32 -4.91 121.20 129.77 1j7h s ILE 6 Ca 0.74 0.14 -0.07 0.00 -2.23 0.00 0.00 60.65 59.24 1j7h s ILE 6 Cb -0.72 -3.52 0.19 0.00 -1.58 0.00 0.00 42.46 36.82 1j7h s ILE 6 CO 0.46 0.44 0.86 -1.00 -1.23 0.00 0.00 174.94 174.47 1j7h s HIS 7 N -1.21 -1.01 0.35 3.97 3.76 -1.26 -3.12 115.29 116.77 1j7h s HIS 7 Ca 0.24 0.90 0.05 0.00 -0.15 0.00 0.00 55.06 56.10 1j7h s HIS 7 Cb -0.13 0.29 -0.07 0.00 1.11 0.00 0.00 32.58 33.78 1j7h s HIS 7 CO 0.13 -0.57 0.03 -0.08 -0.85 0.00 0.00 174.74 173.40 1j7h s THR 8 N 2.91 1.53 -0.44 1.30 -1.32 -1.26 -5.04 115.64 113.31 1j7h s THR 8 Ca 0.12 -2.02 0.04 0.00 -1.21 0.00 0.00 61.69 58.62 1j7h s THR 8 Cb -0.10 -2.82 0.67 0.00 -1.51 0.00 0.00 72.50 68.73 1j7h s THR 8 CO -0.18 -0.04 1.91 -0.62 -2.21 0.00 0.00 174.62 173.48 1j7h n GLU 9 N -0.77 2.28 -0.01 7.08 4.71 -1.26 -4.26 120.64 128.41 1j7h n GLU 9 Ca -0.04 -2.99 -0.02 0.00 -0.01 0.00 0.00 57.16 54.11 1j7h n GLU 9 Cb 0.66 -2.17 -0.01 0.00 -1.01 0.00 0.00 31.44 28.91 1j7h n GLU 9 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1j7h n LYS 10 N -1.11 0.06 -1.30 3.49 0.00 -1.26 -5.07 118.16 112.97 1j7h n LYS 10 Ca 0.59 0.01 -0.30 0.00 0.00 0.00 0.00 58.31 58.62 1j7h n LYS 10 Cb 1.66 -1.02 0.22 0.00 0.00 0.00 0.00 35.03 35.90 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j7h s ALA 11 N -2.05 1.04 -0.87 3.14 0.00 -1.26 -4.90 121.76 116.86 1j7h s ALA 11 Ca -0.03 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.05 1j7h s ALA 11 Cb 0.01 -2.87 0.46 0.00 0.00 0.00 0.00 23.12 20.72 1j7h s ALA 11 CO 0.05 -3.25 1.32 -2.30 0.00 0.00 0.00 175.76 171.58 1j7h n PRO 12 N -4.48 0.03 -1.06 0.00 -0.02 -1.26 -4.98 135.00 123.23 1j7h n PRO 12 Ca 0.13 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 62.03 1j7h n PRO 12 Cb 0.59 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.55 -1.63 -3.54 3.55 0.00 -1.26 -4.93 120.51 111.15 1j7h n ALA 13 Ca 0.01 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 1j7h n ALA 13 Cb 0.09 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.24 1j7h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j7h s ALA 14 N -4.84 2.65 -0.08 0.00 0.00 -1.26 -4.95 121.76 113.28 1j7h s ALA 14 Ca 0.00 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 50.96 1j7h s ALA 14 Cb 0.00 -1.46 0.17 0.00 0.00 0.00 0.00 23.12 21.83 1j7h s ALA 14 CO 0.00 -0.24 1.07 -0.89 0.00 0.00 0.00 175.76 175.69 1j7h n ILE 15 N 4.44 1.38 0.00 0.00 2.08 -1.26 -4.89 119.36 121.11 1j7h n ILE 15 Ca -0.19 -1.61 0.00 0.00 0.56 0.00 0.00 62.75 61.51 1j7h n ILE 15 Cb 0.51 0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 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 -0.99 3.47 1.23 7.39 0.00 -1.26 -5.00 105.19 110.03 1j7h n GLY 16 Ca 0.10 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 2.87 -4.26 1.61 -0.04 -1.26 -4.91 135.00 129.00 1j7h n PRO 17 Ca 0.00 -1.58 -0.19 0.00 -0.04 0.00 0.00 63.50 61.70 1j7h n PRO 17 Cb 0.00 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.51 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 -1.87 1.67 0.38 0.54 1.13 -1.26 -5.18 117.35 112.76 1j7h s TYR 18 Ca 0.27 -1.62 0.05 0.00 -1.41 0.00 0.00 57.07 54.36 1j7h s TYR 18 Cb 0.21 -0.66 -0.02 0.00 -1.10 0.00 0.00 41.96 40.39 1j7h s TYR 18 CO 0.08 -0.87 0.17 1.33 -2.51 0.00 0.00 175.55 173.75 1j7h n VAL 19 N -0.59 0.00 -0.02 -3.49 0.24 -1.26 -4.53 118.33 108.67 1j7h n VAL 19 Ca 0.07 -2.32 -0.10 0.00 -2.04 0.00 0.00 64.34 59.95 1j7h n VAL 19 Cb 0.62 0.91 -0.04 0.00 -1.47 0.00 0.00 33.84 33.87 1j7h n VAL 19 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1j7h h GLN 20 N 0.00 0.14 0.00 7.34 7.50 -1.91 -3.45 115.11 124.73 1j7h h GLN 20 Ca -0.29 -0.01 0.10 0.00 0.50 0.00 0.00 58.65 58.96 1j7h h GLN 20 Cb 1.17 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.65 1j7h h GLN 20 CO 0.45 0.09 0.26 0.00 -1.50 0.00 0.00 178.83 178.14 1j7h n ALA 21 N -2.19 -1.04 -3.55 3.87 0.00 -1.24 -4.04 120.51 112.32 1j7h n ALA 21 Ca -0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 1j7h n ALA 21 Cb 0.06 0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.09 -0.04 -0.31 0.00 -7.23 -0.95 -1.17 120.40 108.61 1j7h s VAL 22 Ca 0.09 0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1j7h s VAL 22 Cb -0.00 -0.16 0.05 0.00 0.56 0.00 0.00 36.38 36.82 1j7h s VAL 22 CO -0.00 0.06 0.02 -0.62 -0.31 0.00 0.00 175.10 174.24 1j7h s ASP 23 N 0.85 4.96 0.19 4.85 -1.08 -0.81 -1.06 116.67 124.58 1j7h s ASP 23 Ca -0.07 -1.27 0.26 0.00 -0.52 0.00 0.00 52.55 50.96 1j7h s ASP 23 Cb -0.09 -1.74 0.76 0.00 -1.46 0.00 0.00 42.92 40.40 1j7h s ASP 23 CO -0.04 -0.27 1.72 0.18 0.52 0.00 0.00 175.17 177.28 1j7h n LEU 24 N 4.65 0.78 0.00 -1.34 4.77 -0.62 0.11 117.00 125.35 1j7h n LEU 24 Ca -0.13 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1j7h n LEU 24 Cb 0.43 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1j7h n LEU 24 CO 0.27 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1j7h n GLY 25 N 1.32 1.51 0.32 -0.72 0.00 -1.26 -3.42 105.19 102.94 1j7h n GLY 25 Ca 0.05 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.22 1.61 4.21 -1.95 -3.41 115.58 111.82 1j7h h ASN 26 Ca 0.00 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 57.05 1j7h h ASN 26 Cb 0.00 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 36.92 1j7h h ASN 26 CO 0.00 0.00 -0.80 -0.76 -1.29 0.00 0.00 177.43 174.58 1j7h s LEU 27 N -8.86 2.07 0.04 1.61 1.43 -1.26 0.11 118.68 113.83 1j7h s LEU 27 Ca -0.05 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1j7h s LEU 27 Cb 0.18 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 1j7h s LEU 27 CO 0.69 0.12 -0.20 0.54 0.23 0.00 0.00 176.35 177.73 1j7h s VAL 28 N -0.48 1.57 0.08 -1.59 0.11 0.31 -1.59 120.40 118.80 1j7h s VAL 28 Ca 0.04 -1.14 0.09 0.00 -2.93 0.00 0.00 61.98 58.04 1j7h s VAL 28 Cb -0.06 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1j7h s VAL 28 CO 0.00 0.19 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.98 1j7h s LEU 29 N -1.12 2.44 0.17 2.54 2.01 -0.22 0.36 118.68 124.86 1j7h s LEU 29 Ca 0.07 -0.57 0.09 0.00 0.01 0.00 0.00 54.13 53.72 1j7h s LEU 29 Cb -0.09 -1.39 -0.04 0.00 0.01 0.00 0.00 46.19 44.68 1j7h s LEU 29 CO 0.02 0.22 -0.19 0.42 1.01 0.00 0.00 176.35 177.83 1j7h s THR 30 N -0.97 1.92 0.53 5.49 -4.23 -0.96 -2.25 115.64 115.17 1j7h s THR 30 Ca 0.14 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1j7h s THR 30 Cb -0.10 -1.90 0.02 0.00 1.34 0.00 0.00 72.50 71.86 1j7h s THR 30 CO 0.05 -0.29 0.77 -0.44 -0.54 0.00 0.00 174.62 174.17 1j7h s SER 31 N -2.69 5.49 -0.70 3.99 0.01 -1.26 -4.17 113.70 114.37 1j7h s SER 31 Ca 0.17 0.22 -0.26 0.00 1.31 0.00 0.00 55.95 57.40 1j7h s SER 31 Cb -0.06 -1.24 -0.08 0.00 0.21 0.00 0.00 66.02 64.85 1j7h s SER 31 CO 0.07 -1.00 2.21 -0.83 0.41 0.00 0.00 173.24 174.11 1j7h s GLY 32 N -4.34 -0.32 0.64 3.44 0.00 -1.24 -4.31 107.32 101.19 1j7h s GLY 32 Ca 0.54 -0.69 -0.18 0.00 0.00 0.00 0.00 44.72 44.38 1j7h s GLY 32 CO 0.39 3.91 1.22 -1.06 0.00 0.00 0.00 173.10 177.56 1j7h n GLN 33 N 8.95 1.04 -4.29 2.90 1.13 0.30 -4.62 117.38 122.79 1j7h n GLN 33 Ca 0.38 0.41 -0.19 0.00 -1.94 0.00 0.00 57.00 55.65 1j7h n GLN 33 Cb 0.49 -2.45 -0.16 0.00 0.11 0.00 0.00 30.24 28.23 1j7h n GLN 33 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1j7h s ILE 34 N -1.42 0.66 -0.40 5.09 -1.09 -1.26 -2.82 121.20 119.95 1j7h s ILE 34 Ca 0.81 -0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 58.92 1j7h s ILE 34 Cb -0.39 -0.60 -0.06 0.00 -1.58 0.00 0.00 42.46 39.83 1j7h s ILE 34 CO 0.42 0.22 1.78 -2.65 -1.23 0.00 0.00 174.94 173.47 1j7h n PRO 35 N 3.43 1.23 -1.74 2.79 -0.02 -1.26 -4.79 135.00 134.63 1j7h n PRO 35 Ca -0.19 -0.88 -0.18 0.00 -2.02 0.00 0.00 63.50 60.22 1j7h n PRO 35 Cb 0.54 -2.08 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 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 3.22 3.17 -0.07 -1.45 1.01 -1.25 -2.80 120.40 122.24 1j7h s VAL 36 Ca 0.28 -0.20 -0.37 0.00 0.00 0.00 0.00 61.98 61.69 1j7h s VAL 36 Cb 0.09 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.65 1j7h s VAL 36 CO -0.01 -0.35 1.04 -3.20 0.00 0.00 0.00 175.10 172.58 1j7h n ASN 37 N 17.40 0.16 0.02 3.32 5.15 -1.26 -4.51 115.26 135.54 1j7h n ASN 37 Ca 0.44 1.05 0.07 0.00 -0.60 0.00 0.00 54.58 55.53 1j7h n ASN 37 Cb 0.45 -0.82 0.30 0.00 -0.53 0.00 0.00 39.78 39.18 1j7h n ASN 37 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1j7h n PRO 38 N 1.70 0.02 -0.08 1.20 -0.02 -1.26 0.26 135.00 136.82 1j7h n PRO 38 Ca 0.20 0.31 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1j7h n PRO 38 Cb 0.05 -1.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.85 1j7h n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h n ALA 39 N -1.54 1.58 0.00 3.55 0.00 -1.26 -4.74 120.51 118.10 1j7h n ALA 39 Ca 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1j7h n ALA 39 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1j7h n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j7h n THR 40 N -2.64 0.00 -2.36 0.00 5.66 -1.11 -5.07 114.28 108.77 1j7h n THR 40 Ca -0.28 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.65 1j7h n THR 40 Cb 1.04 -0.34 0.03 0.00 -1.55 0.00 0.00 70.33 69.52 1j7h n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j7h n GLY 41 N 2.39 -0.04 1.21 1.09 0.00 0.74 -4.90 105.19 105.68 1j7h n GLY 41 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1j7h n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j7h n GLU 42 N -2.33 0.00 0.00 1.61 1.02 -1.26 -4.70 120.64 114.99 1j7h n GLU 42 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1j7h n GLU 42 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 1j7h n GLU 42 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1j7h n VAL 43 N -1.91 0.00 -1.63 2.62 3.14 -1.12 -3.81 118.33 115.62 1j7h n VAL 43 Ca 0.00 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.94 1j7h n VAL 43 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1j7h n VAL 43 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1j7h n PRO 44 N 0.00 1.61 0.18 1.45 -0.02 -1.25 -4.86 135.00 132.10 1j7h n PRO 44 Ca 0.00 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1j7h n PRO 44 Cb 0.00 -2.01 0.59 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.14 1.96 -1.17 3.55 0.00 -1.99 -3.38 119.26 120.36 1j7h h ALA 45 Ca -0.42 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 53.99 1j7h h ALA 45 Cb 1.32 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1j7h h ALA 45 CO 0.61 0.02 1.18 -0.51 0.00 0.00 0.00 179.25 180.55 1j7h s ASP 46 N -6.92 5.83 0.51 0.00 1.11 -1.26 -4.83 116.67 111.11 1j7h s ASP 46 Ca -0.06 -0.61 0.40 0.00 0.18 0.00 0.00 52.55 52.46 1j7h s ASP 46 Cb 0.17 -2.56 1.57 0.00 1.07 0.00 0.00 42.92 43.18 1j7h s ASP 46 CO 0.69 -2.07 1.66 -0.29 1.18 0.00 0.00 175.17 176.34 1j7h h ILE 47 N 6.71 0.18 0.11 0.77 6.09 -1.98 0.60 117.51 129.99 1j7h h ILE 47 Ca -0.06 -0.02 -0.15 0.00 -1.37 0.00 0.00 64.86 63.27 1j7h h ILE 47 Cb 1.05 0.13 0.02 0.00 0.47 0.00 0.00 36.82 38.49 1j7h h ILE 47 CO 1.29 0.01 -0.65 0.58 -3.07 0.00 0.00 178.15 176.31 1j7h h VAL 48 N 0.04 1.56 -0.15 2.19 2.07 -1.92 -2.75 116.25 117.29 1j7h h VAL 48 Ca 0.78 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1j7h h VAL 48 Cb 2.92 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 35.87 1j7h h VAL 48 CO -0.13 0.69 0.06 0.00 0.02 0.00 0.00 177.57 178.21 1j7h h ALA 49 N 0.09 0.20 0.00 1.67 0.00 -0.45 -0.21 119.26 120.55 1j7h h ALA 49 Ca -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1j7h h ALA 49 Cb 1.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1j7h h ALA 49 CO 0.12 -0.21 -0.07 -0.56 0.00 0.00 0.00 179.25 178.53 1j7h h GLN 50 N 0.09 0.00 -0.07 0.00 3.07 -0.28 -1.94 115.11 115.97 1j7h h GLN 50 Ca 0.05 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.55 1j7h h GLN 50 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.75 1j7h h GLN 50 CO -0.00 0.07 -0.92 0.00 0.09 0.00 0.00 178.83 178.07 1j7h h ALA 51 N 1.93 0.23 -0.13 0.06 0.00 -1.10 -2.42 119.26 117.83 1j7h h ALA 51 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1j7h h ALA 51 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1j7h h ALA 51 CO 0.01 0.69 0.06 -0.09 0.00 0.00 0.00 179.25 179.93 1j7h h ARG 52 N 0.45 0.19 -0.35 0.00 2.43 -0.33 -1.77 114.38 115.00 1j7h h ARG 52 Ca -0.09 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1j7h h ARG 52 Cb 1.56 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 1j7h h ARG 52 CO 0.18 0.25 -0.00 0.37 -1.51 0.00 0.00 179.97 179.26 1j7h h GLN 53 N 0.08 0.54 -0.07 0.20 4.15 -1.46 -2.08 115.11 116.48 1j7h h GLN 53 Ca 0.04 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 1j7h h GLN 53 Cb 0.12 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1j7h h GLN 53 CO -0.01 0.57 -0.27 1.03 -1.93 0.00 0.00 178.83 178.22 1j7h h SER 54 N 0.52 0.12 -0.01 -0.69 0.87 -1.10 -2.23 113.55 111.04 1j7h h SER 54 Ca 0.11 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1j7h h SER 54 Cb 0.34 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1j7h h SER 54 CO 0.01 0.40 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.63 1j7h h LEU 55 N 0.11 0.02 -0.93 2.23 3.38 -0.63 -3.03 115.31 116.46 1j7h h LEU 55 Ca 0.02 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1j7h h LEU 55 Cb 0.54 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1j7h h LEU 55 CO 0.04 0.50 0.61 -0.08 0.09 0.00 0.00 178.44 179.59 1j7h h GLU 56 N -0.46 1.14 -0.92 1.13 4.57 -1.38 -1.71 114.58 116.96 1j7h h GLU 56 Ca 0.00 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.21 1j7h h GLU 56 Cb 0.49 -0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 28.76 1j7h h GLU 56 CO 0.00 0.75 0.59 -0.91 -1.18 0.00 0.00 179.01 178.27 1j7h h ASN 57 N 1.17 0.83 0.37 1.04 -0.26 -1.41 0.24 115.58 117.57 1j7h h ASN 57 Ca 0.37 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 56.10 1j7h h ASN 57 Cb 0.00 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.11 1j7h h ASN 57 CO -0.12 0.48 -0.15 0.58 -1.06 0.00 0.00 177.43 177.16 1j7h h VAL 58 N 0.92 0.70 0.19 2.81 2.07 -1.19 -2.63 116.25 119.11 1j7h h VAL 58 Ca 0.43 -0.64 -0.34 0.00 0.82 0.00 0.00 66.70 66.97 1j7h h VAL 58 Cb 0.41 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1j7h h VAL 58 CO -0.19 0.15 -1.65 0.11 0.02 0.00 0.00 177.57 176.01 1j7h h LYS 59 N 0.00 0.41 -0.98 1.57 1.79 -0.50 -3.15 116.57 115.71 1j7h h LYS 59 Ca -0.00 -0.69 0.05 0.00 -2.18 0.00 0.00 60.65 57.82 1j7h h LYS 59 Cb 0.38 0.26 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 1j7h h LYS 59 CO 0.02 1.32 0.64 0.00 -1.08 0.00 0.00 179.45 180.35 1j7h h ALA 60 N 0.20 1.38 0.17 3.86 0.00 -0.69 0.91 119.26 125.09 1j7h h ALA 60 Ca -0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1j7h h ALA 60 Cb 2.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1j7h h ALA 60 CO 0.20 0.51 -0.08 0.82 0.00 0.00 0.00 179.25 180.69 1j7h h ILE 61 N 1.21 0.94 0.00 0.00 2.04 -1.60 0.89 117.51 120.99 1j7h h ILE 61 Ca 0.40 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1j7h h ILE 61 Cb 0.06 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1j7h h ILE 61 CO -0.14 0.19 -0.21 0.40 0.00 0.00 0.00 178.15 178.40 1j7h h ILE 62 N -0.68 1.04 -0.02 -0.67 2.04 -1.45 -2.00 117.51 115.76 1j7h h ILE 62 Ca -0.02 -0.74 -0.19 0.00 1.00 0.00 0.00 64.86 64.91 1j7h h ILE 62 Cb 0.49 1.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1j7h h ILE 62 CO 0.04 0.20 -0.74 -0.08 0.00 0.00 0.00 178.15 177.57 1j7h h GLU 63 N 0.00 0.54 0.00 2.37 4.57 0.91 -0.30 114.58 122.68 1j7h h GLU 63 Ca -0.00 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1j7h h GLU 63 Cb 0.39 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1j7h h GLU 63 CO 0.03 1.18 0.00 -0.22 -1.18 0.00 0.00 179.01 178.82 1j7h h LYS 64 N 0.12 0.00 0.00 1.92 3.11 -0.48 -2.22 116.57 119.02 1j7h h LYS 64 Ca -0.09 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.51 1j7h h LYS 64 Cb 1.43 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.61 1j7h h LYS 64 CO 0.15 0.00 -1.49 0.00 -2.81 0.00 0.00 179.45 175.30 1j7h h ALA 65 N 2.15 0.69 0.00 5.00 0.00 -1.27 -3.49 119.26 122.34 1j7h h ALA 65 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1j7h h ALA 65 Cb 0.31 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1j7h h ALA 65 CO 0.00 1.33 0.00 0.41 0.00 0.00 0.00 179.25 180.99 1j7h n GLY 66 N 1.47 0.97 0.00 0.00 0.00 -0.83 -5.10 105.19 101.69 1j7h n GLY 66 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.75 0.99 4.77 -0.16 -5.02 117.00 113.84 1j7h n LEU 67 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 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 0.04 -0.89 -1.33 0.00 0.00 177.39 175.21 1j7h s THR 68 N -2.34 0.08 0.35 -5.08 2.01 -1.26 -3.99 115.64 105.40 1j7h s THR 68 Ca 0.00 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1j7h s THR 68 Cb 0.00 -0.94 0.28 0.00 0.01 0.00 0.00 72.50 71.86 1j7h s THR 68 CO 0.00 -0.37 1.96 0.00 -0.69 0.00 0.00 174.62 175.53 1j7h h ALA 69 N 3.21 1.63 -0.62 7.40 0.00 -1.94 -1.04 119.26 127.90 1j7h h ALA 69 Ca -0.32 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.75 1j7h h ALA 69 Cb 1.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1j7h h ALA 69 CO 0.46 0.27 0.63 0.00 0.00 0.00 0.00 179.25 180.61 1j7h h ALA 70 N 1.59 2.41 0.00 0.00 0.00 -1.87 0.77 119.26 122.16 1j7h h ALA 70 Ca 0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1j7h h ALA 70 Cb 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j7h h ALA 70 CO -0.10 -0.95 -0.61 -0.44 0.00 0.00 0.00 179.25 177.15 1j7h h ASP 71 N 0.00 0.00 -1.30 0.00 3.32 -1.49 -3.46 116.42 113.49 1j7h h ASP 71 Ca 0.30 0.00 -0.80 0.00 0.02 0.00 0.00 57.03 56.55 1j7h h ASP 71 Cb 1.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.12 1j7h h ASP 71 CO -0.00 0.36 0.79 -0.38 -1.72 0.00 0.00 179.24 178.29 1j7h n ILE 72 N -3.09 0.16 0.00 0.35 5.41 0.27 -2.97 119.36 119.49 1j7h n ILE 72 Ca 0.00 -0.03 -0.19 0.00 1.00 0.00 0.00 62.75 63.53 1j7h n ILE 72 Cb 0.69 -0.88 -0.14 0.00 -0.71 0.00 0.00 39.64 38.60 1j7h n ILE 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1j7h n VAL 73 N 4.24 1.75 -4.08 1.39 0.24 -0.40 -4.13 118.33 117.34 1j7h n VAL 73 Ca 0.28 -0.68 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 1j7h n VAL 73 Cb 0.05 -1.60 -0.11 0.00 -1.47 0.00 0.00 33.84 30.72 1j7h n VAL 73 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1j7h s LYS 74 N -2.57 0.60 0.02 7.34 0.00 -1.19 0.15 119.74 124.08 1j7h s LYS 74 Ca -0.19 -1.02 -0.05 0.00 0.00 0.00 0.00 55.97 54.71 1j7h s LYS 74 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 37.83 37.83 1j7h s LYS 74 CO 0.78 -0.03 0.09 0.95 0.00 0.00 0.00 175.35 177.14 1j7h s THR 75 N -2.69 0.11 0.01 3.79 -4.23 0.20 -1.23 115.64 111.59 1j7h s THR 75 Ca -0.00 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 1j7h s THR 75 Cb -0.01 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.22 1j7h s THR 75 CO -0.04 -0.50 -0.09 -0.89 -0.54 0.00 0.00 174.62 172.56 1j7h s THR 76 N -1.93 0.67 -0.23 3.99 2.01 0.15 -1.31 115.64 119.00 1j7h s THR 76 Ca -0.11 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1j7h s THR 76 Cb -0.05 -0.60 0.09 0.00 0.01 0.00 0.00 72.50 71.95 1j7h s THR 76 CO -0.01 0.07 0.18 -0.69 -0.69 0.00 0.00 174.62 173.47 1j7h s VAL 77 N -0.46 -0.22 -0.54 3.82 1.01 -1.19 -2.13 120.40 120.69 1j7h s VAL 77 Ca 0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 1j7h s VAL 77 Cb -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.59 1j7h s VAL 77 CO 0.00 -0.40 0.91 -0.36 0.00 0.00 0.00 175.10 175.25 1j7h s PHE 78 N 2.23 2.83 0.12 5.22 0.08 -1.13 -2.51 117.98 124.82 1j7h s PHE 78 Ca 0.07 -0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.12 1j7h s PHE 78 Cb -0.16 -4.00 -0.04 0.00 -0.57 0.00 0.00 43.02 38.25 1j7h s PHE 78 CO -0.21 -1.29 0.18 0.14 -0.10 0.00 0.00 175.22 173.94 1j7h s VAL 79 N 3.79 4.94 -2.33 -0.44 -7.23 -0.27 -2.42 120.40 116.44 1j7h s VAL 79 Ca 0.30 -0.73 0.25 0.00 -1.81 0.00 0.00 61.98 59.98 1j7h s VAL 79 Cb -0.13 -3.47 0.21 0.00 0.56 0.00 0.00 36.38 33.55 1j7h s VAL 79 CO 0.19 0.01 1.36 1.17 -0.31 0.00 0.00 175.10 177.52 1j7h n LYS 80 N -0.06 1.53 -3.41 4.82 4.81 0.04 0.11 118.16 126.00 1j7h n LYS 80 Ca -0.07 -1.15 -0.05 0.00 -0.87 0.00 0.00 58.31 56.17 1j7h n LYS 80 Cb 0.53 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 34.04 1j7h n LYS 80 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1j7h s ASP 81 N -2.26 -0.40 0.22 3.14 2.15 -1.26 -4.83 116.67 113.43 1j7h s ASP 81 Ca 0.26 0.70 0.19 0.00 0.43 0.00 0.00 52.55 54.13 1j7h s ASP 81 Cb 0.19 1.54 0.89 0.00 -0.30 0.00 0.00 42.92 45.23 1j7h s ASP 81 CO 0.44 -0.27 1.58 0.18 -0.17 0.00 0.00 175.17 176.93 1j7h n LEU 82 N 5.39 0.47 0.15 -1.34 4.77 -1.26 -1.47 117.00 123.71 1j7h n LEU 82 Ca -0.05 0.66 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 1j7h n LEU 82 Cb 0.50 -0.65 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1j7h n LEU 82 CO 0.03 -0.65 0.45 0.78 -1.33 0.00 0.00 177.39 176.67 1j7h h ASN 83 N 0.00 0.00 1.56 -1.43 2.35 -2.01 -3.25 115.58 112.80 1j7h h ASN 83 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1j7h h ASN 83 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1j7h h ASN 83 CO 0.00 0.32 -0.45 0.44 -1.65 0.00 0.00 177.43 176.09 1j7h h ASP 84 N 0.00 0.00 -0.15 5.81 3.32 -1.68 -3.26 116.42 120.47 1j7h h ASP 84 Ca -0.02 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1j7h h ASP 84 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1j7h h ASP 84 CO 0.04 0.37 0.22 0.15 -1.72 0.00 0.00 179.24 178.30 1j7h h PHE 85 N 0.00 0.00 -0.75 4.55 3.57 -1.59 -1.02 116.94 121.70 1j7h h PHE 85 Ca -0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1j7h h PHE 85 Cb 1.29 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 1j7h h PHE 85 CO 0.00 0.00 0.49 0.00 -2.23 0.00 0.00 178.31 176.57 1j7h h ALA 86 N 1.70 1.60 0.15 2.41 0.00 -1.76 0.86 119.26 124.22 1j7h h ALA 86 Ca 0.07 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1j7h h ALA 86 Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j7h h ALA 86 CO -0.00 0.31 -1.76 0.00 0.00 0.00 0.00 179.25 177.80 1j7h h ALA 87 N 1.57 0.26 -0.22 0.00 0.00 -1.45 -3.13 119.26 116.30 1j7h h ALA 87 Ca 0.31 -1.20 -0.15 0.00 0.00 0.00 0.00 54.91 53.87 1j7h h ALA 87 Cb 0.12 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1j7h h ALA 87 CO -0.09 1.13 -0.47 0.28 0.00 0.00 0.00 179.25 180.10 1j7h h VAL 88 N 0.09 1.31 -0.29 0.00 2.07 -1.21 -1.92 116.25 116.30 1j7h h VAL 88 Ca -0.34 -1.67 -0.11 0.00 0.82 0.00 0.00 66.70 65.40 1j7h h VAL 88 Cb 2.07 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1j7h h VAL 88 CO 0.15 0.52 -0.23 -1.13 0.02 0.00 0.00 177.57 176.91 1j7h h ASN 89 N 0.45 0.70 0.10 0.57 -1.24 0.61 0.34 115.58 117.11 1j7h h ASN 89 Ca 0.03 -0.45 -0.09 0.00 0.71 0.00 0.00 56.30 56.50 1j7h h ASN 89 Cb 0.99 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 1j7h h ASN 89 CO 0.09 1.01 -0.29 0.00 -1.29 0.00 0.00 177.43 176.95 1j7h h ALA 90 N 0.72 1.22 0.00 1.57 0.00 -1.52 -2.21 119.26 119.04 1j7h h ALA 90 Ca 0.05 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1j7h h ALA 90 Cb 0.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1j7h h ALA 90 CO 0.06 0.51 -0.87 0.93 0.00 0.00 0.00 179.25 179.88 1j7h h GLU 91 N 0.26 0.00 0.00 0.00 3.07 -1.25 -3.01 114.58 113.65 1j7h h GLU 91 Ca 0.04 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 1j7h h GLU 91 Cb 0.65 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 1j7h h GLU 91 CO 0.05 0.23 -0.67 -0.92 -1.40 0.00 0.00 179.01 176.29 1j7h h TYR 92 N 0.00 0.00 0.12 4.33 5.03 -0.05 -3.13 116.97 123.27 1j7h h TYR 92 Ca -0.06 0.00 -0.36 0.00 2.58 0.00 0.00 58.73 60.89 1j7h h TYR 92 Cb 1.30 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.56 1j7h h TYR 92 CO 0.00 0.67 -1.97 -1.91 -1.32 0.00 0.00 178.16 173.63 1j7h n GLU 93 N -3.39 0.76 0.26 1.82 2.13 -0.86 -3.17 120.64 118.19 1j7h n GLU 93 Ca 0.01 0.27 0.14 0.00 0.66 0.00 0.00 57.16 58.23 1j7h n GLU 93 Cb 0.76 -1.72 0.69 0.00 0.27 0.00 0.00 31.44 31.44 1j7h n GLU 93 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1j7h h ARG 94 N 0.07 0.00 0.03 5.31 0.11 -1.64 -2.75 114.38 115.51 1j7h h ARG 94 Ca -0.41 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.35 1j7h h ARG 94 Cb 2.04 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 33.07 1j7h h ARG 94 CO 0.09 0.11 -1.83 1.97 0.10 0.00 0.00 179.97 180.42 1j7h n PHE 95 N -3.41 1.01 0.48 4.08 1.16 -1.18 -3.09 117.46 116.51 1j7h n PHE 95 Ca -0.01 0.31 -0.20 0.00 -1.87 0.00 0.00 57.45 55.69 1j7h n PHE 95 Cb 0.29 -1.17 -0.10 0.00 -1.61 0.00 0.00 39.48 36.89 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 0.02 -1.12 0.00 2.97 -1.00 -1.46 0.21 116.94 116.56 1j7h h PHE 96 Ca -0.34 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.38 1j7h h PHE 96 Cb 2.03 0.37 -0.00 0.00 3.61 0.00 0.00 35.95 41.95 1j7h h PHE 96 CO 0.02 -0.69 -0.14 -0.22 -1.61 0.00 0.00 178.31 175.66 1j7h h LYS 97 N -1.21 0.00 0.00 1.51 3.64 -1.64 1.05 116.57 119.91 1j7h h LYS 97 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1j7h h LYS 97 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1j7h h LYS 97 CO 0.20 0.14 0.00 0.39 -2.27 0.00 0.00 179.45 177.92 1j7h n GLU 98 N -4.10 0.05 0.00 1.90 -0.58 -0.95 -2.75 120.64 114.21 1j7h n GLU 98 Ca -0.02 0.09 0.05 0.00 -0.42 0.00 0.00 57.16 56.86 1j7h n GLU 98 Cb 0.22 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 1j7h n GLU 98 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1j7h n ASN 99 N -1.64 1.03 -0.10 1.62 5.03 0.71 -4.98 115.26 116.93 1j7h n ASN 99 Ca 0.06 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.49 1j7h n ASN 99 Cb 0.32 0.59 0.00 0.00 -1.02 0.00 0.00 39.78 39.67 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 -0.48 -0.47 -2.62 6.41 5.15 0.20 -4.79 115.26 118.65 1j7h n ASN 100 Ca 0.04 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.73 1j7h n ASN 100 Cb 0.19 -0.14 -0.00 0.00 -0.53 0.00 0.00 39.78 39.30 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 -0.99 3.48 0.25 1.20 8.25 0.34 -4.39 115.22 123.36 1j7h n HIS 101 Ca 0.00 -3.20 0.14 0.00 -0.26 0.00 0.00 57.72 54.40 1j7h n HIS 101 Cb 0.14 -0.27 0.53 0.00 1.12 0.00 0.00 29.99 31.51 1j7h n HIS 101 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j7h h PRO 102 N 2.72 0.00 -0.77 -0.41 0.13 -1.87 -3.12 132.00 128.68 1j7h h PRO 102 Ca 0.30 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.61 1j7h h PRO 102 Cb 0.76 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.84 1j7h h PRO 102 CO 0.90 0.10 0.52 -0.97 -0.23 0.00 0.00 178.00 178.32 1j7h h ASN 103 N 0.00 0.26 -5.12 1.44 -1.24 -1.88 -3.47 115.58 105.57 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 0.67 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.69 1j7h h ASN 103 CO 0.01 0.12 -0.65 0.49 -1.29 0.00 0.00 177.43 176.12 1j7h n PHE 104 N -4.44 -3.52 -0.76 0.67 3.72 -1.18 -4.96 117.46 107.00 1j7h n PHE 104 Ca 0.15 1.47 -0.32 0.00 -0.05 0.00 0.00 57.45 58.71 1j7h n PHE 104 Cb 0.65 -3.95 0.15 0.00 -0.94 0.00 0.00 39.48 35.39 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 0.05 -0.34 -0.72 -1.08 -0.04 -1.26 -4.95 135.00 126.66 1j7h n PRO 105 Ca 0.07 -0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.16 1j7h n PRO 105 Cb 0.28 -2.26 0.15 0.00 -0.04 0.00 0.00 33.50 31.63 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 -3.98 -4.43 -2.75 0.55 0.00 0.12 -4.54 120.51 105.48 1j7h n ALA 106 Ca 0.11 -1.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.08 1j7h n ALA 106 Cb 0.52 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.22 0.68 -0.42 0.00 3.52 -1.24 -0.63 118.95 117.64 1j7h s ARG 107 Ca 0.53 -0.66 0.09 0.00 -0.13 0.00 0.00 55.73 55.56 1j7h s ARG 107 Cb -0.08 -0.60 0.34 0.00 -1.56 0.00 0.00 34.95 33.06 1j7h s ARG 107 CO 0.66 0.14 1.01 -1.13 -0.81 0.00 0.00 175.30 175.17 1j7h n SER 108 N 1.91 -1.09 -4.87 -2.12 3.41 -0.43 -4.92 113.62 105.51 1j7h n SER 108 Ca -0.19 -3.32 -0.36 0.00 -0.26 0.00 0.00 58.87 54.75 1j7h n SER 108 Cb 0.55 0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 65.35 1j7h n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7h s VAL 110 N -1.23 0.09 -1.19 0.00 -7.23 -1.05 -4.94 120.40 104.86 1j7h s VAL 110 Ca 0.26 -0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 59.45 1j7h s VAL 110 Cb -0.14 -0.85 0.07 0.00 0.56 0.00 0.00 36.38 36.02 1j7h s VAL 110 CO 0.14 -0.43 1.60 -0.70 -0.31 0.00 0.00 175.10 175.40 1j7h s GLU 111 N -2.34 3.85 0.76 4.82 2.12 -1.25 -1.11 118.70 125.55 1j7h s GLU 111 Ca -0.07 -1.74 -0.11 0.00 0.36 0.00 0.00 54.97 53.42 1j7h s GLU 111 Cb -0.02 -5.43 0.05 0.00 0.26 0.00 0.00 34.13 28.99 1j7h s GLU 111 CO -0.02 -2.20 1.08 0.14 -0.54 0.00 0.00 175.26 173.72 1j7h s VAL 112 N 4.26 3.49 0.00 3.70 -7.23 0.30 -4.91 120.40 120.00 1j7h s VAL 112 Ca 0.50 0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 60.91 1j7h s VAL 112 Cb 0.02 -3.08 -0.17 0.00 0.56 0.00 0.00 36.38 33.71 1j7h s VAL 112 CO 0.01 -0.63 1.23 0.00 -0.31 0.00 0.00 175.10 175.40 1j7h h ALA 113 N -1.02 -0.30 -3.65 1.32 0.00 -1.92 -3.38 119.26 110.31 1j7h h ALA 113 Ca -0.44 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.08 1j7h h ALA 113 Cb 1.23 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1j7h h ALA 113 CO 0.54 -0.48 -0.04 0.54 0.00 0.00 0.00 179.25 179.80 1j7h n ARG 114 N -5.06 0.71 -3.64 0.00 3.00 -1.26 -4.91 116.66 105.50 1j7h n ARG 114 Ca -0.09 -2.37 -0.11 0.00 -0.01 0.00 0.00 57.85 55.27 1j7h n ARG 114 Cb 0.25 2.41 -0.05 0.00 0.00 0.00 0.00 32.46 35.07 1j7h n ARG 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1j7h s LEU 115 N 0.00 0.41 0.31 0.55 1.02 -1.26 -4.94 118.68 114.77 1j7h s LEU 115 Ca 0.23 -0.28 -0.28 0.00 0.02 0.00 0.00 54.13 53.82 1j7h s LEU 115 Cb -0.02 1.82 -0.13 0.00 0.02 0.00 0.00 46.19 47.88 1j7h s LEU 115 CO 0.17 -0.83 1.11 -0.81 0.02 0.00 0.00 176.35 176.01 1j7h n PRO 116 N -0.14 1.63 -1.16 1.29 -0.04 -1.26 -1.12 135.00 134.20 1j7h n PRO 116 Ca -0.16 0.57 -0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1j7h n PRO 116 Cb 0.63 -2.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 1j7h n PRO 116 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j7h n LYS 117 N 0.63 -1.17 -1.49 0.54 4.01 -1.26 -2.58 118.16 116.84 1j7h n LYS 117 Ca 0.08 0.59 -0.17 0.00 -0.51 0.00 0.00 58.31 58.30 1j7h n LYS 117 Cb 0.34 -4.62 -0.07 0.00 -0.51 0.00 0.00 35.03 30.17 1j7h n LYS 117 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1j7h n ASP 118 N -0.49 -4.93 -0.13 4.39 9.92 -0.27 -4.69 116.55 120.35 1j7h n ASP 118 Ca -0.06 0.43 -0.04 0.00 -0.53 0.00 0.00 54.79 54.59 1j7h n ASP 118 Cb 0.38 -4.28 0.03 0.00 -0.64 0.00 0.00 41.12 36.60 1j7h n ASP 118 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1j7h h VAL 119 N 0.00 0.63 0.00 2.53 3.04 -1.60 -3.46 116.25 117.38 1j7h h VAL 119 Ca -0.35 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1j7h h VAL 119 Cb 1.19 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1j7h h VAL 119 CO 0.51 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.69 1j7h n GLY 120 N -1.30 1.27 2.96 3.17 0.00 -1.26 -5.01 105.19 105.01 1j7h n GLY 120 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1j7h n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j7h s LEU 121 N 0.00 2.11 0.02 0.99 1.43 -1.26 -0.78 118.68 121.19 1j7h s LEU 121 Ca 0.00 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1j7h s LEU 121 Cb 0.00 0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.34 1j7h s LEU 121 CO 0.00 -0.21 0.23 -0.70 0.23 0.00 0.00 176.35 175.91 1j7h s GLU 122 N -0.98 0.66 -0.03 1.70 2.12 -1.02 -4.75 118.70 116.40 1j7h s GLU 122 Ca -0.11 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 54.79 1j7h s GLU 122 Cb -0.07 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.63 1j7h s GLU 122 CO -0.01 -0.19 0.01 0.42 -0.54 0.00 0.00 175.26 174.96 1j7h s ILE 123 N -1.96 0.13 -0.10 -3.70 1.01 -1.13 -2.82 121.20 112.64 1j7h s ILE 123 Ca -0.10 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1j7h s ILE 123 Cb -0.04 -0.26 0.04 0.00 0.01 0.00 0.00 42.46 42.21 1j7h s ILE 123 CO -0.00 0.16 0.24 -1.83 0.00 0.00 0.00 174.94 173.50 1j7h s GLU 124 N 1.29 0.22 0.10 2.79 -1.05 -0.91 0.11 118.70 121.24 1j7h s GLU 124 Ca -0.06 0.48 -0.12 0.00 -0.15 0.00 0.00 54.97 55.13 1j7h s GLU 124 Cb -0.13 -0.07 0.01 0.00 -0.44 0.00 0.00 34.13 33.50 1j7h s GLU 124 CO -0.02 -0.13 0.27 0.00 0.95 0.00 0.00 175.26 176.32 1j7h s ALA 125 N 1.01 -0.50 0.14 -0.84 0.00 -1.26 0.33 121.76 120.65 1j7h s ALA 125 Ca -0.07 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1j7h s ALA 125 Cb -0.09 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1j7h s ALA 125 CO -0.07 -0.54 0.13 0.42 0.00 0.00 0.00 175.76 175.70 1j7h s ILE 126 N -3.70 4.56 0.05 0.00 -1.09 -0.37 -2.25 121.20 118.40 1j7h s ILE 126 Ca 0.03 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1j7h s ILE 126 Cb 0.03 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1j7h s ILE 126 CO -0.11 -0.04 -0.06 0.00 -1.23 0.00 0.00 174.94 173.50 1j7h s ALA 127 N -1.65 0.54 0.51 9.38 0.00 0.16 -1.28 121.76 129.41 1j7h s ALA 127 Ca 0.31 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1j7h s ALA 127 Cb -0.11 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1j7h s ALA 127 CO 0.23 -0.12 0.00 0.14 0.00 0.00 0.00 175.76 176.02 1j7h s VAL 128 N -2.00 1.19 -0.40 0.00 -7.23 -1.16 0.11 120.40 110.92 1j7h s VAL 128 Ca -0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1j7h s VAL 128 Cb -0.06 -2.19 0.32 0.00 0.56 0.00 0.00 36.38 35.01 1j7h s VAL 128 CO -0.02 0.00 1.25 -1.14 -0.31 0.00 0.00 175.10 174.88 1j7h n ARG 129 N -1.25 0.63 0.00 4.82 0.63 0.31 -4.76 116.66 117.04 1j7h n ARG 129 Ca -0.19 -1.37 0.00 0.00 -0.92 0.00 0.00 57.85 55.37 1j7h n ARG 129 Cb 0.67 -0.61 0.00 0.00 0.45 0.00 0.00 32.46 32.97 1j7h n ARG 129 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29