#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 -1.43 -1.64 0.03 0.00 -1.26 -5.03 117.12 107.79 1j7h n MET 2 Ca 0.00 0.94 0.00 0.00 -0.00 0.00 0.00 57.70 58.64 1j7h n MET 2 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.48 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 -3.05 -6.28 -0.94 1.12 -1.04 -1.25 -4.90 114.28 97.94 1j7h n THR 3 Ca 0.00 2.39 0.00 0.00 -2.04 0.00 0.00 64.05 64.41 1j7h n THR 3 Cb 0.32 -3.45 0.00 0.00 -1.82 0.00 0.00 70.33 65.39 1j7h n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j7h n GLN 4 N 0.59 0.00 -1.56 -2.82 10.64 0.30 -4.75 117.38 119.77 1j7h n GLN 4 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1j7h n GLN 4 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1j7h n GLN 4 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1j7h n ILE 5 N -0.22 -8.79 -3.44 -0.39 2.08 -1.20 -3.31 119.36 104.08 1j7h n ILE 5 Ca 0.00 1.96 -0.26 0.00 0.56 0.00 0.00 62.75 65.01 1j7h n ILE 5 Cb 0.00 -4.38 -0.11 0.00 -0.75 0.00 0.00 39.64 34.40 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1j7h s ILE 6 N -0.32 -0.02 -0.20 1.39 1.01 -0.15 -3.66 121.20 119.25 1j7h s ILE 6 Ca 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 60.65 59.19 1j7h s ILE 6 Cb 0.00 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1j7h s ILE 6 CO 0.00 -0.85 0.09 -1.00 0.00 0.00 0.00 174.94 173.19 1j7h s HIS 7 N 1.33 3.30 0.03 3.97 3.76 -1.26 -3.42 115.29 123.01 1j7h s HIS 7 Ca 0.16 0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 55.15 1j7h s HIS 7 Cb -0.20 -2.13 -0.00 0.00 1.11 0.00 0.00 32.58 31.35 1j7h s HIS 7 CO -0.06 0.17 0.14 -0.08 -0.85 0.00 0.00 174.74 174.05 1j7h s THR 8 N 0.50 0.11 -0.47 1.30 -1.32 -1.26 -5.01 115.64 109.49 1j7h s THR 8 Ca 0.05 -0.94 0.04 0.00 -1.21 0.00 0.00 61.69 59.62 1j7h s THR 8 Cb -0.12 -0.80 0.65 0.00 -1.51 0.00 0.00 72.50 70.73 1j7h s THR 8 CO 0.00 -0.52 1.93 1.21 -2.21 0.00 0.00 174.62 175.03 1j7h n GLU 9 N 0.89 2.28 -0.01 7.08 2.13 -1.26 -4.23 120.64 127.52 1j7h n GLU 9 Ca -0.20 -3.03 -0.02 0.00 0.66 0.00 0.00 57.16 54.57 1j7h n GLU 9 Cb 0.58 -2.19 -0.02 0.00 0.27 0.00 0.00 31.44 30.09 1j7h n GLU 9 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1j7h n LYS 10 N -1.13 1.20 -3.62 5.31 3.00 -1.26 -5.00 118.16 116.66 1j7h n LYS 10 Ca 0.60 0.01 -0.37 0.00 -0.00 0.00 0.00 58.31 58.55 1j7h n LYS 10 Cb 1.61 -1.06 -0.10 0.00 0.00 0.00 0.00 35.03 35.47 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 -2.06 3.57 -2.00 3.14 0.00 -1.26 -4.91 121.76 118.24 1j7h s ALA 11 Ca -0.03 -0.98 0.14 0.00 0.00 0.00 0.00 51.96 51.09 1j7h s ALA 11 Cb 0.01 -2.41 0.86 0.00 0.00 0.00 0.00 23.12 21.57 1j7h s ALA 11 CO 0.08 -0.38 1.32 -2.30 0.00 0.00 0.00 175.76 174.48 1j7h n PRO 12 N 4.69 0.65 -0.39 0.00 -0.02 -1.26 -4.86 135.00 133.80 1j7h n PRO 12 Ca -0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.21 1j7h n PRO 12 Cb 0.52 -1.35 0.13 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.85 -2.26 -1.86 3.55 0.00 -1.26 -4.81 120.51 113.03 1j7h n ALA 13 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1j7h n ALA 13 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.96 -2.20 -1.85 0.00 0.00 -1.26 -4.91 120.51 106.34 1j7h n ALA 14 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1j7h n ALA 14 Cb 0.26 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.57 0.00 -1.34 0.00 -0.00 -1.26 -5.03 119.36 113.30 1j7h n ILE 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1j7h n ILE 15 Cb 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 39.64 40.05 1j7h n ILE 15 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1j7h n GLY 16 N 0.00 4.57 1.62 7.39 0.00 -1.26 -5.03 105.19 112.48 1j7h n GLY 16 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 1.54 -4.34 1.61 -0.04 -1.26 -4.88 135.00 127.64 1j7h n PRO 17 Ca 0.00 -1.18 -0.17 0.00 -0.04 0.00 0.00 63.50 62.10 1j7h n PRO 17 Cb 0.00 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.34 1.59 0.18 0.54 1.13 -1.26 -5.15 117.35 113.04 1j7h s TYR 18 Ca 0.23 -0.88 -0.11 0.00 -1.41 0.00 0.00 57.07 54.91 1j7h s TYR 18 Cb 0.19 -0.91 -0.07 0.00 -1.10 0.00 0.00 41.96 40.07 1j7h s TYR 18 CO 0.02 0.02 0.51 0.14 -2.51 0.00 0.00 175.55 173.73 1j7h s VAL 19 N -3.35 4.95 0.23 -3.49 -7.23 -1.26 -4.76 120.40 105.49 1j7h s VAL 19 Ca 0.27 0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 60.88 1j7h s VAL 19 Cb 0.05 -3.66 0.28 0.00 0.56 0.00 0.00 36.38 33.61 1j7h s VAL 19 CO 0.08 0.08 1.62 1.56 -0.31 0.00 0.00 175.10 178.14 1j7h h GLN 20 N 3.03 0.05 0.00 4.82 4.20 -1.91 -3.46 115.11 121.84 1j7h h GLN 20 Ca -0.48 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.19 1j7h h GLN 20 Cb 1.18 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.94 1j7h h GLN 20 CO 0.68 0.03 0.10 0.00 -0.67 0.00 0.00 178.83 178.97 1j7h n ALA 21 N -3.06 -0.79 -3.67 3.87 0.00 -1.22 -3.45 120.51 112.19 1j7h n ALA 21 Ca 0.11 -0.72 -0.19 0.00 0.00 0.00 0.00 53.44 52.65 1j7h n ALA 21 Cb 0.42 0.58 -0.16 0.00 0.00 0.00 0.00 19.45 20.28 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 -2.55 0.34 -0.37 0.00 -7.23 -0.99 -0.97 120.40 108.63 1j7h s VAL 22 Ca 0.10 -0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1j7h s VAL 22 Cb -0.02 -0.41 0.08 0.00 0.56 0.00 0.00 36.38 36.60 1j7h s VAL 22 CO 0.07 0.18 0.14 -0.62 -0.31 0.00 0.00 175.10 174.56 1j7h s ASP 23 N 1.02 5.16 0.30 4.85 2.15 -1.21 -1.59 116.67 127.35 1j7h s ASP 23 Ca -0.10 -1.71 0.23 0.00 0.43 0.00 0.00 52.55 51.40 1j7h s ASP 23 Cb -0.14 -1.80 0.30 0.00 -0.30 0.00 0.00 42.92 40.98 1j7h s ASP 23 CO -0.01 -0.44 1.43 -0.07 -0.17 0.00 0.00 175.17 175.91 1j7h h LEU 24 N 8.06 0.00 0.00 -1.34 3.38 -1.78 0.85 115.31 124.48 1j7h h LEU 24 Ca -0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1j7h h LEU 24 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1j7h h LEU 24 CO 0.64 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1j7h n GLY 25 N 1.18 1.12 0.34 0.83 0.00 -1.26 -4.65 105.19 102.75 1j7h n GLY 25 Ca 0.03 -0.76 0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.30 1.61 4.21 -1.95 -3.39 115.58 112.78 1j7h h ASN 26 Ca 0.00 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 56.87 1j7h h ASN 26 Cb 0.00 -0.00 -0.34 0.00 -1.12 0.00 0.00 38.32 36.86 1j7h h ASN 26 CO 0.00 0.01 -0.86 -0.76 -1.29 0.00 0.00 177.43 174.53 1j7h s LEU 27 N -8.89 1.98 0.57 1.61 1.02 -1.26 -0.83 118.68 112.88 1j7h s LEU 27 Ca -0.05 -0.52 0.07 0.00 0.02 0.00 0.00 54.13 53.65 1j7h s LEU 27 Cb 0.19 -1.30 0.07 0.00 0.02 0.00 0.00 46.19 45.17 1j7h s LEU 27 CO 0.71 0.10 0.58 0.68 0.02 0.00 0.00 176.35 178.44 1j7h s VAL 28 N 0.62 1.77 -0.12 -1.59 -7.23 0.35 -2.63 120.40 111.57 1j7h s VAL 28 Ca -0.13 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.46 1j7h s VAL 28 Cb -0.17 -2.06 0.07 0.00 0.56 0.00 0.00 36.38 34.78 1j7h s VAL 28 CO 0.04 0.00 0.69 -0.76 -0.31 0.00 0.00 175.10 174.76 1j7h s LEU 29 N -4.47 -0.67 0.01 1.32 1.02 -0.62 -2.72 118.68 112.55 1j7h s LEU 29 Ca 0.45 0.94 0.08 0.00 0.02 0.00 0.00 54.13 55.63 1j7h s LEU 29 Cb -0.04 2.51 -0.02 0.00 0.02 0.00 0.00 46.19 48.66 1j7h s LEU 29 CO 0.29 -0.49 -0.25 0.42 0.02 0.00 0.00 176.35 176.33 1j7h s THR 30 N -0.69 1.98 0.75 5.49 -4.23 -0.17 -2.34 115.64 116.43 1j7h s THR 30 Ca -0.08 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 1j7h s THR 30 Cb -0.02 -1.67 0.04 0.00 1.34 0.00 0.00 72.50 72.19 1j7h s THR 30 CO 0.07 0.44 1.12 -0.44 -0.54 0.00 0.00 174.62 175.27 1j7h s SER 31 N -0.90 5.01 -0.85 3.99 0.01 -1.22 -3.85 113.70 115.88 1j7h s SER 31 Ca 0.10 1.07 -0.24 0.00 1.31 0.00 0.00 55.95 58.20 1j7h s SER 31 Cb -0.10 -1.78 -0.17 0.00 0.21 0.00 0.00 66.02 64.19 1j7h s SER 31 CO 0.01 -1.61 1.90 0.61 0.41 0.00 0.00 173.24 174.56 1j7h n GLY 32 N -2.91 1.54 3.66 3.44 0.00 -1.22 -4.10 105.19 105.60 1j7h n GLY 32 Ca 0.07 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1j7h n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j7h s GLN 33 N 6.03 0.74 0.06 1.61 -1.52 0.14 -4.56 119.66 122.16 1j7h s GLN 33 Ca 0.65 0.94 -0.00 0.00 -1.95 0.00 0.00 55.36 54.99 1j7h s GLN 33 Cb 0.08 -1.74 -0.04 0.00 -0.22 0.00 0.00 33.01 31.09 1j7h s GLN 33 CO 0.16 -2.63 -0.04 0.96 -0.25 0.00 0.00 175.29 173.49 1j7h s ILE 34 N -2.79 0.32 0.30 1.08 -4.36 -1.26 -1.12 121.20 113.38 1j7h s ILE 34 Ca 0.65 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 59.31 1j7h s ILE 34 Cb -0.20 -1.45 0.37 0.00 1.25 0.00 0.00 42.46 42.43 1j7h s ILE 34 CO 0.59 -0.92 1.60 -0.65 0.24 0.00 0.00 174.94 175.79 1j7h h PRO 35 N 3.25 0.07 -3.27 0.37 0.11 -1.76 -3.44 132.00 127.32 1j7h h PRO 35 Ca -0.34 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.68 1j7h h PRO 35 Cb 1.15 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1j7h h PRO 35 CO 0.63 0.05 -0.09 1.55 -0.21 0.00 0.00 178.00 179.93 1j7h n VAL 36 N -5.38 -0.11 -1.30 3.15 3.14 -1.07 -4.47 118.33 112.29 1j7h n VAL 36 Ca 0.23 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.76 1j7h n VAL 36 Cb 0.77 -0.51 -0.08 0.00 -1.06 0.00 0.00 33.84 32.96 1j7h n VAL 36 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1j7h n ASN 37 N -0.60 -6.52 0.14 6.55 5.03 -1.26 -0.98 115.26 117.63 1j7h n ASN 37 Ca -0.05 1.23 0.02 0.00 0.87 0.00 0.00 54.58 56.65 1j7h n ASN 37 Cb 0.35 -4.43 0.10 0.00 -1.02 0.00 0.00 39.78 34.77 1j7h n ASN 37 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1j7h h PRO 38 N -1.37 0.00 0.00 3.52 0.13 -1.96 -3.39 132.00 128.94 1j7h h PRO 38 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1j7h h PRO 38 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1j7h h PRO 38 CO 0.06 0.53 -0.05 0.00 -0.23 0.00 0.00 178.00 178.32 1j7h n ALA 39 N -2.26 1.97 -0.03 -0.56 0.00 -1.26 -4.92 120.51 113.45 1j7h n ALA 39 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1j7h n ALA 39 Cb 0.70 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.36 -2.79 0.00 -1.04 -1.26 -5.04 114.28 104.50 1j7h n THR 40 Ca 0.00 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.05 61.65 1j7h n THR 40 Cb 0.52 -0.50 0.04 0.00 -1.82 0.00 0.00 70.33 68.57 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 2.42 0.20 0.56 3.41 0.00 -0.15 -4.94 105.19 106.69 1j7h n GLY 41 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.39 0.00 0.00 1.61 -0.58 -0.76 -4.85 120.64 113.67 1j7h n GLU 42 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1j7h n GLU 42 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1j7h n GLU 42 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1j7h n VAL 43 N -1.42 0.00 -2.33 2.62 3.14 -1.26 -2.59 118.33 116.49 1j7h n VAL 43 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1j7h n VAL 43 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1j7h n VAL 43 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1j7h s PRO 44 N 0.00 3.69 0.17 1.45 0.02 -1.26 -4.68 135.00 134.39 1j7h s PRO 44 Ca 0.00 1.16 0.06 0.00 0.02 0.00 0.00 61.00 62.24 1j7h s PRO 44 Cb 0.00 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 1j7h s PRO 44 CO 0.00 -0.50 1.38 0.00 -0.33 0.00 0.00 177.00 177.55 1j7h h ALA 45 N 0.97 0.54 -1.02 -1.55 0.00 -2.02 -3.42 119.26 112.76 1j7h h ALA 45 Ca -0.48 -0.78 -0.36 0.00 0.00 0.00 0.00 54.91 53.30 1j7h h ALA 45 Cb 1.21 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1j7h h ALA 45 CO 0.59 1.04 0.96 -0.51 0.00 0.00 0.00 179.25 181.33 1j7h s ASP 46 N -6.81 5.05 0.50 0.00 1.11 -1.26 -4.80 116.67 110.45 1j7h s ASP 46 Ca -0.01 -0.15 0.41 0.00 0.18 0.00 0.00 52.55 52.98 1j7h s ASP 46 Cb 0.11 -2.54 1.61 0.00 1.07 0.00 0.00 42.92 43.16 1j7h s ASP 46 CO 0.81 -2.71 1.58 0.40 1.18 0.00 0.00 175.17 176.43 1j7h h ILE 47 N 7.18 0.02 0.09 0.77 1.08 -1.98 0.85 117.51 125.52 1j7h h ILE 47 Ca -0.06 -0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.28 1j7h h ILE 47 Cb 1.08 0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1j7h h ILE 47 CO 1.19 0.00 -0.54 0.58 -0.69 0.00 0.00 178.15 178.69 1j7h h VAL 48 N 0.01 1.60 -0.57 1.67 2.07 -1.96 -2.14 116.25 116.93 1j7h h VAL 48 Ca 0.90 -2.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1j7h h VAL 48 Cb 3.25 3.26 -0.03 0.00 -1.52 0.00 0.00 31.29 36.25 1j7h h VAL 48 CO -0.26 0.68 0.30 0.00 0.02 0.00 0.00 177.57 178.31 1j7h h ALA 49 N 0.05 1.45 0.00 1.67 0.00 0.06 0.80 119.26 123.29 1j7h h ALA 49 Ca -0.10 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1j7h h ALA 49 Cb 1.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1j7h h ALA 49 CO 0.10 0.45 -0.74 -0.56 0.00 0.00 0.00 179.25 178.50 1j7h h GLN 50 N 0.80 0.00 0.03 0.00 3.07 -0.24 -1.65 115.11 117.12 1j7h h GLN 50 Ca 0.20 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.68 1j7h h GLN 50 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.58 1j7h h GLN 50 CO -0.03 0.74 -1.35 0.00 0.09 0.00 0.00 178.83 178.28 1j7h h ALA 51 N 1.26 0.45 0.21 0.06 0.00 -0.62 -2.96 119.26 117.66 1j7h h ALA 51 Ca -0.01 -1.13 -0.32 0.00 0.00 0.00 0.00 54.91 53.46 1j7h h ALA 51 Cb 1.45 0.15 0.03 0.00 0.00 0.00 0.00 17.79 19.41 1j7h h ALA 51 CO 0.10 1.32 -1.44 0.07 0.00 0.00 0.00 179.25 179.30 1j7h h ARG 52 N 0.02 0.45 -0.03 0.00 -0.00 0.55 -3.14 114.38 112.23 1j7h h ARG 52 Ca -0.15 -0.77 -0.13 0.00 -0.00 0.00 0.00 59.98 58.93 1j7h h ARG 52 Cb 1.91 0.28 -0.02 0.00 -0.00 0.00 0.00 29.97 32.15 1j7h h ARG 52 CO 0.12 1.36 -0.58 0.37 -0.00 0.00 0.00 179.97 181.25 1j7h h GLN 53 N 0.12 0.09 -0.03 0.08 5.75 -1.44 -2.84 115.11 116.85 1j7h h GLN 53 Ca -0.23 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.10 1j7h h GLN 53 Cb 2.11 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.65 1j7h h GLN 53 CO 0.25 0.64 -0.49 0.77 -2.65 0.00 0.00 178.83 177.35 1j7h h SER 54 N 0.07 0.09 0.42 -0.69 0.02 -1.60 -2.63 113.55 109.22 1j7h h SER 54 Ca -0.00 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 1j7h h SER 54 Cb 1.04 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1j7h h SER 54 CO 0.08 0.57 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.47 1j7h h LEU 55 N 0.06 0.36 -0.06 5.07 3.38 -1.46 -2.90 115.31 119.76 1j7h h LEU 55 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1j7h h LEU 55 Cb 0.90 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1j7h h LEU 55 CO 0.07 1.02 -0.03 -0.08 0.09 0.00 0.00 178.44 179.51 1j7h h GLU 56 N 0.18 0.13 -0.28 1.13 4.57 -1.35 -2.58 114.58 116.39 1j7h h GLU 56 Ca -0.04 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1j7h h GLU 56 Cb 1.39 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.95 1j7h h GLU 56 CO 0.13 0.51 0.09 -0.91 -1.18 0.00 0.00 179.01 177.65 1j7h h ASN 57 N -0.25 0.10 -0.04 1.04 2.35 -1.54 0.97 115.58 118.21 1j7h h ASN 57 Ca 0.01 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1j7h h ASN 57 Cb 0.47 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1j7h h ASN 57 CO 0.01 0.09 0.03 0.58 -1.65 0.00 0.00 177.43 176.49 1j7h h VAL 58 N 0.22 0.98 0.20 2.81 2.07 -1.54 -1.82 116.25 119.17 1j7h h VAL 58 Ca 0.12 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.32 1j7h h VAL 58 Cb 0.10 0.98 0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1j7h h VAL 58 CO -0.13 0.00 -1.39 0.50 0.02 0.00 0.00 177.57 176.57 1j7h h LYS 59 N 0.00 0.57 -0.56 1.57 3.64 -0.85 -2.91 116.57 118.03 1j7h h LYS 59 Ca 0.02 -0.89 -0.02 0.00 -1.27 0.00 0.00 60.65 58.49 1j7h h LYS 59 Cb 0.07 0.32 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1j7h h LYS 59 CO -0.00 1.42 0.25 0.00 -2.27 0.00 0.00 179.45 178.85 1j7h h ALA 60 N 0.22 1.38 0.09 5.00 0.00 -0.19 0.15 119.26 125.91 1j7h h ALA 60 Ca -0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j7h h ALA 60 Cb 2.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1j7h h ALA 60 CO 0.26 0.48 -0.04 0.82 0.00 0.00 0.00 179.25 180.76 1j7h h ILE 61 N 0.80 1.15 0.00 0.00 2.04 -1.43 -0.33 117.51 119.74 1j7h h ILE 61 Ca 0.20 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1j7h h ILE 61 Cb 0.11 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1j7h h ILE 61 CO -0.02 0.25 -0.06 -0.29 0.00 0.00 0.00 178.15 178.03 1j7h h ILE 62 N -0.64 0.29 0.17 -0.67 2.10 -1.37 -1.73 117.51 115.67 1j7h h ILE 62 Ca -0.01 -0.42 -0.32 0.00 1.08 0.00 0.00 64.86 65.19 1j7h h ILE 62 Cb 0.51 1.32 0.01 0.00 -1.09 0.00 0.00 36.82 37.57 1j7h h ILE 62 CO 0.02 0.06 -1.54 -0.08 -1.08 0.00 0.00 178.15 175.53 1j7h h GLU 63 N 0.00 0.36 0.00 2.19 4.81 -0.62 -2.98 114.58 118.34 1j7h h GLU 63 Ca -0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1j7h h GLU 63 Cb 0.31 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1j7h h GLU 63 CO 0.01 1.26 0.00 1.17 -0.73 0.00 0.00 179.01 180.72 1j7h n LYS 64 N -3.56 0.06 0.05 1.92 3.00 -0.14 -2.65 118.16 116.83 1j7h n LYS 64 Ca -0.18 0.18 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1j7h n LYS 64 Cb 1.07 -1.58 -0.12 0.00 0.00 0.00 0.00 35.03 34.39 1j7h n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j7h h ALA 65 N 2.65 0.39 0.00 3.14 0.00 -1.36 -3.48 119.26 120.60 1j7h h ALA 65 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1j7h h ALA 65 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j7h h ALA 65 CO 0.00 1.27 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1j7h n GLY 66 N 1.37 1.37 0.00 0.00 0.00 -1.08 -5.05 105.19 101.79 1j7h n GLY 66 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.07 0.99 4.77 -1.13 -5.06 117.00 112.50 1j7h n LEU 67 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1j7h n LEU 67 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1j7h n LEU 67 CO 0.00 0.00 -0.38 -0.89 -1.33 0.00 0.00 177.39 174.79 1j7h s THR 68 N -2.14 0.42 0.29 -5.08 2.01 -1.26 -4.06 115.64 105.81 1j7h s THR 68 Ca 0.00 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 60.67 1j7h s THR 68 Cb 0.00 -0.90 0.28 0.00 0.01 0.00 0.00 72.50 71.89 1j7h s THR 68 CO 0.00 -0.61 1.90 0.00 -0.69 0.00 0.00 174.62 175.22 1j7h h ALA 69 N 3.99 1.50 -0.87 7.40 0.00 -1.90 -0.64 119.26 128.74 1j7h h ALA 69 Ca -0.34 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.80 1j7h h ALA 69 Cb 1.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1j7h h ALA 69 CO 0.50 0.36 0.63 0.00 0.00 0.00 0.00 179.25 180.74 1j7h h ALA 70 N 1.50 2.82 0.00 0.00 0.00 -1.92 0.82 119.26 122.47 1j7h h ALA 70 Ca 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1j7h h ALA 70 Cb 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1j7h h ALA 70 CO -0.16 -1.08 -0.18 -0.44 0.00 0.00 0.00 179.25 177.40 1j7h h ASP 71 N 0.00 0.00 -1.14 0.00 3.32 -1.38 -3.44 116.42 113.77 1j7h h ASP 71 Ca 0.41 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.74 1j7h h ASP 71 Cb 1.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 1j7h h ASP 71 CO -0.00 0.18 1.15 -0.38 -1.72 0.00 0.00 179.24 178.46 1j7h n ILE 72 N -3.23 0.22 -0.01 0.35 5.41 0.28 -3.05 119.36 119.33 1j7h n ILE 72 Ca 0.01 -0.12 -0.10 0.00 1.00 0.00 0.00 62.75 63.54 1j7h n ILE 72 Cb 0.48 -1.26 -0.14 0.00 -0.71 0.00 0.00 39.64 38.01 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 6.18 0.86 -3.71 1.39 -1.51 -1.62 -3.38 116.25 114.46 1j7h h VAL 73 Ca -0.34 -2.69 -0.28 0.00 -1.23 0.00 0.00 66.70 62.16 1j7h h VAL 73 Cb 1.34 2.46 -0.15 0.00 -2.13 0.00 0.00 31.29 32.80 1j7h h VAL 73 CO 1.00 0.57 -0.68 -0.75 -1.23 0.00 0.00 177.57 176.48 1j7h s LYS 74 N -2.60 1.06 -0.25 5.19 2.20 -1.19 0.91 119.74 125.06 1j7h s LYS 74 Ca -0.07 -1.49 -0.23 0.00 -0.36 0.00 0.00 55.97 53.82 1j7h s LYS 74 Cb 0.08 -0.32 0.07 0.00 -1.51 0.00 0.00 37.83 36.15 1j7h s LYS 74 CO 0.82 -0.08 0.67 0.99 -0.36 0.00 0.00 175.35 177.39 1j7h s THR 75 N -3.60 -0.00 0.08 3.43 2.01 -0.01 -1.39 115.64 116.16 1j7h s THR 75 Ca 0.21 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.29 1j7h s THR 75 Cb 0.05 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 1j7h s THR 75 CO 0.02 0.00 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.84 1j7h s THR 76 N 0.41 1.82 -0.23 -0.82 2.01 0.38 -1.85 115.64 117.36 1j7h s THR 76 Ca -0.00 -1.43 -0.03 0.00 0.31 0.00 0.00 61.69 60.54 1j7h s THR 76 Cb -0.05 -1.61 0.12 0.00 0.01 0.00 0.00 72.50 70.98 1j7h s THR 76 CO 0.00 0.11 0.33 -0.69 -0.69 0.00 0.00 174.62 173.68 1j7h s VAL 77 N -0.97 -0.51 -0.44 3.82 1.01 -1.19 -2.10 120.40 120.01 1j7h s VAL 77 Ca 0.08 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 1j7h s VAL 77 Cb -0.10 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1j7h s VAL 77 CO 0.03 -0.17 0.76 -0.36 0.00 0.00 0.00 175.10 175.36 1j7h s PHE 78 N 2.47 3.01 -0.03 5.22 0.08 -1.17 -2.99 117.98 124.57 1j7h s PHE 78 Ca 0.11 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.27 1j7h s PHE 78 Cb -0.15 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 1j7h s PHE 78 CO -0.16 -0.95 0.14 0.14 -0.10 0.00 0.00 175.22 174.29 1j7h s VAL 79 N 3.20 5.22 -2.06 -0.44 -7.23 -1.05 -0.85 120.40 117.19 1j7h s VAL 79 Ca 0.29 -0.18 0.30 0.00 -1.81 0.00 0.00 61.98 60.58 1j7h s VAL 79 Cb -0.12 -3.40 0.63 0.00 0.56 0.00 0.00 36.38 34.05 1j7h s VAL 79 CO 0.22 0.38 1.94 1.17 -0.31 0.00 0.00 175.10 178.50 1j7h n LYS 80 N 1.19 1.13 -3.60 4.82 4.81 -1.19 -0.30 118.16 125.02 1j7h n LYS 80 Ca -0.13 -0.41 -0.02 0.00 -0.87 0.00 0.00 58.31 56.88 1j7h n LYS 80 Cb 0.53 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 34.03 1j7h n LYS 80 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j7h s ASP 81 N -2.16 -0.64 0.12 3.14 1.01 -1.26 -4.85 116.67 112.02 1j7h s ASP 81 Ca 0.38 0.98 0.15 0.00 0.71 0.00 0.00 52.55 54.77 1j7h s ASP 81 Cb 0.21 1.41 0.65 0.00 1.01 0.00 0.00 42.92 46.21 1j7h s ASP 81 CO 0.39 -0.15 1.45 0.18 0.21 0.00 0.00 175.17 177.25 1j7h n LEU 82 N 4.20 0.26 0.21 1.23 4.77 -1.26 -1.52 117.00 124.88 1j7h n LEU 82 Ca -0.16 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1j7h n LEU 82 Cb 0.56 -0.57 0.16 0.00 -2.33 0.00 0.00 43.42 41.24 1j7h n LEU 82 CO -0.00 -0.50 0.76 0.78 -1.33 0.00 0.00 177.39 177.10 1j7h h ASN 83 N 0.00 0.00 0.66 -1.43 -0.26 -2.00 -3.23 115.58 109.32 1j7h h ASN 83 Ca 0.00 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.53 1j7h h ASN 83 Cb 0.18 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.41 1j7h h ASN 83 CO 0.00 0.08 -1.47 0.44 -1.06 0.00 0.00 177.43 175.42 1j7h h ASP 84 N 0.00 0.00 -0.20 5.81 5.19 -1.69 -3.34 116.42 122.18 1j7h h ASP 84 Ca -0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1j7h h ASP 84 Cb 1.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1j7h h ASP 84 CO 0.01 0.73 0.16 0.15 -3.12 0.00 0.00 179.24 177.17 1j7h h PHE 85 N 0.00 0.00 -0.37 4.55 3.57 -1.56 -0.95 116.94 122.18 1j7h h PHE 85 Ca -0.20 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.36 1j7h h PHE 85 Cb 1.73 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 1j7h h PHE 85 CO 0.00 0.00 0.25 0.00 -2.23 0.00 0.00 178.31 176.33 1j7h h ALA 86 N 1.87 1.99 0.08 2.41 0.00 -1.70 0.65 119.26 124.57 1j7h h ALA 86 Ca 0.10 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 1j7h h ALA 86 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1j7h h ALA 86 CO -0.00 -0.06 -1.69 0.00 0.00 0.00 0.00 179.25 177.50 1j7h h ALA 87 N 1.80 0.47 -0.14 0.00 0.00 -1.43 -3.13 119.26 116.84 1j7h h ALA 87 Ca 0.16 -1.29 -0.23 0.00 0.00 0.00 0.00 54.91 53.56 1j7h h ALA 87 Cb 0.29 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1j7h h ALA 87 CO -0.03 1.33 -0.81 0.28 0.00 0.00 0.00 179.25 180.02 1j7h h VAL 88 N 0.05 1.28 -0.29 0.00 2.07 -1.09 -2.22 116.25 116.05 1j7h h VAL 88 Ca -0.30 -2.01 -0.13 0.00 0.82 0.00 0.00 66.70 65.09 1j7h h VAL 88 Cb 2.01 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.79 1j7h h VAL 88 CO 0.12 0.63 -0.34 -1.13 0.02 0.00 0.00 177.57 176.87 1j7h h ASN 89 N 0.52 0.67 0.42 0.57 -1.24 0.14 0.65 115.58 117.32 1j7h h ASN 89 Ca -0.06 -0.28 -0.15 0.00 0.71 0.00 0.00 56.30 56.52 1j7h h ASN 89 Cb 1.44 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.29 1j7h h ASN 89 CO 0.16 0.96 -0.64 0.00 -1.29 0.00 0.00 177.43 176.63 1j7h h ALA 90 N 1.08 0.83 0.01 1.57 0.00 -1.56 -3.12 119.26 118.05 1j7h h ALA 90 Ca 0.06 -0.57 -0.28 0.00 0.00 0.00 0.00 54.91 54.12 1j7h h ALA 90 Cb 0.85 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1j7h h ALA 90 CO 0.07 0.76 -1.61 0.93 0.00 0.00 0.00 179.25 179.40 1j7h h GLU 91 N 0.15 0.01 -0.64 0.00 4.39 -1.25 -3.11 114.58 114.12 1j7h h GLU 91 Ca -0.01 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1j7h h GLU 91 Cb 1.15 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 1j7h h GLU 91 CO 0.10 0.59 0.39 -0.92 -1.16 0.00 0.00 179.01 178.01 1j7h h TYR 92 N 0.00 0.73 0.00 4.33 5.03 0.31 -1.89 116.97 125.49 1j7h h TYR 92 Ca -0.25 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 60.88 1j7h h TYR 92 Cb 1.98 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 39.99 1j7h h TYR 92 CO 0.00 0.41 -1.00 1.49 -1.32 0.00 0.00 178.16 177.74 1j7h h GLU 93 N 0.77 0.00 -0.28 1.82 4.81 -1.70 -2.46 114.58 117.53 1j7h h GLU 93 Ca 0.26 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1j7h h GLU 93 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1j7h h GLU 93 CO -0.11 0.89 0.02 -0.09 -0.73 0.00 0.00 179.01 178.99 1j7h h ARG 94 N 0.00 0.42 0.09 1.92 9.65 -1.38 -2.11 114.38 122.97 1j7h h ARG 94 Ca -0.03 -0.07 -0.34 0.00 -1.10 0.00 0.00 59.98 58.44 1j7h h ARG 94 Cb 1.74 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 30.23 1j7h h ARG 94 CO 0.12 0.43 -1.85 0.27 2.80 0.00 0.00 179.97 181.75 1j7h h PHE 95 N 0.41 0.35 0.02 2.20 -5.15 -1.41 -3.05 116.94 110.31 1j7h h PHE 95 Ca 0.09 -0.26 0.03 0.00 -0.20 0.00 0.00 57.97 57.64 1j7h h PHE 95 Cb 0.24 -0.01 -0.04 0.00 0.22 0.00 0.00 35.95 36.36 1j7h h PHE 95 CO 0.01 1.50 -0.23 0.35 -2.00 0.00 0.00 178.31 177.95 1j7h h PHE 96 N 0.05 -0.60 0.00 6.09 3.57 -1.26 0.42 116.94 125.21 1j7h h PHE 96 Ca -0.36 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.07 1j7h h PHE 96 Cb 2.03 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 41.02 1j7h h PHE 96 CO 0.05 -0.32 -0.41 -0.22 -2.23 0.00 0.00 178.31 175.19 1j7h h LYS 97 N -0.37 0.00 0.00 1.11 1.63 -1.56 0.97 116.57 118.35 1j7h h LYS 97 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1j7h h LYS 97 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1j7h h LYS 97 CO -0.19 0.41 0.00 0.39 -3.45 0.00 0.00 179.45 176.61 1j7h n GLU 98 N -3.53 0.17 -0.01 1.90 -0.58 -0.63 -2.62 120.64 115.34 1j7h n GLU 98 Ca -0.00 0.23 0.10 0.00 -0.42 0.00 0.00 57.16 57.07 1j7h n GLU 98 Cb 0.54 -1.73 -0.15 0.00 -0.57 0.00 0.00 31.44 29.53 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 -2.03 0.51 0.00 1.62 3.02 0.14 -4.98 115.26 113.54 1j7h n ASN 99 Ca 0.05 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1j7h n ASN 99 Cb 0.34 1.68 0.00 0.00 -0.61 0.00 0.00 39.78 41.18 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 -2.01 0.00 -2.87 6.41 6.94 -0.75 -4.95 115.26 118.04 1j7h n ASN 100 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.24 1j7h n ASN 100 Cb 0.47 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.88 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 -0.35 3.54 1.91 -2.53 -0.00 0.33 -4.66 115.22 113.46 1j7h n HIS 101 Ca 0.00 -3.30 0.11 0.00 -0.00 0.00 0.00 57.72 54.53 1j7h n HIS 101 Cb 0.00 -0.52 0.66 0.00 -0.00 0.00 0.00 29.99 30.13 1j7h n HIS 101 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1j7h n PRO 102 N -0.34 0.96 0.21 -0.41 -0.04 -1.26 -3.72 135.00 130.39 1j7h n PRO 102 Ca 0.39 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 1j7h n PRO 102 Cb 0.45 -1.36 0.47 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.01 -3.79 3.54 -1.24 -1.87 -3.49 115.58 108.74 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 0.00 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1j7h h ASN 103 CO 0.00 0.23 -0.45 0.49 -1.29 0.00 0.00 177.43 176.41 1j7h n PHE 104 N -4.27 -2.23 -3.65 0.67 3.01 -1.24 -5.04 117.46 104.70 1j7h n PHE 104 Ca -0.02 1.33 -0.29 0.00 1.01 0.00 0.00 57.45 59.48 1j7h n PHE 104 Cb 0.28 -2.85 -0.04 0.00 -0.01 0.00 0.00 39.48 36.86 1j7h n PHE 104 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1j7h s PRO 105 N -1.38 3.55 1.00 -1.08 0.04 -1.26 -4.94 135.00 130.93 1j7h s PRO 105 Ca 0.00 -0.24 -0.16 0.00 0.04 0.00 0.00 61.00 60.64 1j7h s PRO 105 Cb 0.00 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.74 1j7h s PRO 105 CO 0.00 0.40 0.06 0.00 0.04 0.00 0.00 177.00 177.50 1j7h n ALA 106 N -0.50 -3.52 -2.75 8.56 0.00 0.26 -4.62 120.51 117.94 1j7h n ALA 106 Ca -0.04 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.40 1j7h n ALA 106 Cb 0.53 -1.60 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.31 0.59 -0.43 0.00 6.06 -1.25 -0.83 118.95 119.79 1j7h s ARG 107 Ca 0.54 -0.45 0.08 0.00 -2.50 0.00 0.00 55.73 53.40 1j7h s ARG 107 Cb -0.17 -0.52 0.30 0.00 0.06 0.00 0.00 34.95 34.62 1j7h s ARG 107 CO 0.69 0.13 0.86 0.43 -2.50 0.00 0.00 175.30 174.91 1j7h n SER 108 N 2.39 -1.11 -4.79 -2.12 7.64 -0.77 -4.95 113.62 109.91 1j7h n SER 108 Ca -0.16 -3.25 -0.36 0.00 1.01 0.00 0.00 58.87 56.11 1j7h n SER 108 Cb 0.56 0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 64.43 1j7h n SER 108 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j7h s VAL 110 N -0.27 -0.01 -1.06 0.00 -7.23 -1.16 -4.97 120.40 105.70 1j7h s VAL 110 Ca 0.15 0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 60.11 1j7h s VAL 110 Cb -0.13 -0.13 -0.09 0.00 0.56 0.00 0.00 36.38 36.59 1j7h s VAL 110 CO 0.04 0.01 1.99 -0.70 -0.31 0.00 0.00 175.10 176.12 1j7h s GLU 111 N 0.21 2.32 0.91 4.82 -6.30 -1.26 -2.54 118.70 116.86 1j7h s GLU 111 Ca -0.01 -0.72 -0.11 0.00 -2.50 0.00 0.00 54.97 51.63 1j7h s GLU 111 Cb -0.02 -5.13 0.14 0.00 0.00 0.00 0.00 34.13 29.11 1j7h s GLU 111 CO -0.01 -3.99 1.09 0.14 0.02 0.00 0.00 175.26 172.52 1j7h s VAL 112 N 11.60 2.59 0.12 3.70 -7.23 0.58 -4.93 120.40 126.83 1j7h s VAL 112 Ca 0.72 0.19 -0.09 0.00 -1.81 0.00 0.00 61.98 60.99 1j7h s VAL 112 Cb -0.04 -2.55 -0.17 0.00 0.56 0.00 0.00 36.38 34.18 1j7h s VAL 112 CO 0.09 -0.25 1.30 0.00 -0.31 0.00 0.00 175.10 175.93 1j7h h ALA 113 N -1.66 0.33 -2.68 1.32 0.00 -1.92 -3.40 119.26 111.24 1j7h h ALA 113 Ca -0.49 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1j7h h ALA 113 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j7h h ALA 113 CO 0.51 0.73 0.26 -2.13 0.00 0.00 0.00 179.25 178.62 1j7h n ARG 114 N -3.86 0.81 -3.70 0.00 0.63 -1.26 -4.99 116.66 104.29 1j7h n ARG 114 Ca -0.08 -1.61 -0.12 0.00 -0.92 0.00 0.00 57.85 55.13 1j7h n ARG 114 Cb 0.79 2.04 -0.06 0.00 0.45 0.00 0.00 32.46 35.68 1j7h n ARG 114 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1j7h s LEU 115 N 0.00 0.63 0.30 6.15 1.43 -1.26 -4.97 118.68 120.95 1j7h s LEU 115 Ca 0.13 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1j7h s LEU 115 Cb -0.04 1.59 -0.13 0.00 0.03 0.00 0.00 46.19 47.65 1j7h s LEU 115 CO 0.08 -0.70 1.33 -0.81 0.23 0.00 0.00 176.35 176.49 1j7h n PRO 116 N 0.32 2.09 -1.07 1.29 -0.04 -1.26 -1.53 135.00 134.80 1j7h n PRO 116 Ca -0.18 0.74 -0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1j7h n PRO 116 Cb 0.61 -2.34 -0.01 0.00 -0.04 0.00 0.00 33.50 31.71 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 1.14 -0.47 -1.38 0.54 3.00 -1.26 -3.01 118.16 116.73 1j7h n LYS 117 Ca 0.07 0.37 -0.13 0.00 -0.00 0.00 0.00 58.31 58.62 1j7h n LYS 117 Cb 0.34 -3.91 -0.06 0.00 0.00 0.00 0.00 35.03 31.41 1j7h n LYS 117 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1j7h n ASP 118 N 0.31 -5.44 -3.80 3.14 9.92 -0.58 -4.81 116.55 115.30 1j7h n ASP 118 Ca -0.02 0.33 -0.28 0.00 -0.53 0.00 0.00 54.79 54.28 1j7h n ASP 118 Cb 0.15 -4.10 0.25 0.00 -0.64 0.00 0.00 41.12 36.78 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1j7h n VAL 119 N -2.33 0.00 -0.34 2.53 0.24 -1.16 -4.89 118.33 112.37 1j7h n VAL 119 Ca -0.13 -0.20 0.04 0.00 -2.04 0.00 0.00 64.34 62.01 1j7h n VAL 119 Cb 0.58 -0.85 0.09 0.00 -1.47 0.00 0.00 33.84 32.18 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 1.78 3.37 3.63 7.63 0.00 -1.26 -4.43 105.19 115.91 1j7h n GLY 120 Ca 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 1j7h n GLY 120 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j7h s LEU 121 N -1.52 -0.11 0.23 0.99 0.05 -1.26 -3.14 118.68 113.92 1j7h s LEU 121 Ca 0.16 0.14 0.08 0.00 0.05 0.00 0.00 54.13 54.56 1j7h s LEU 121 Cb 0.12 1.25 -0.05 0.00 -2.05 0.00 0.00 46.19 45.46 1j7h s LEU 121 CO 0.06 -0.09 -0.13 -0.70 -0.55 0.00 0.00 176.35 174.94 1j7h s GLU 122 N -0.83 1.41 -0.07 1.48 2.12 -0.03 -4.35 118.70 118.44 1j7h s GLU 122 Ca 0.07 -1.65 -0.03 0.00 0.36 0.00 0.00 54.97 53.72 1j7h s GLU 122 Cb -0.02 -1.19 0.04 0.00 0.26 0.00 0.00 34.13 33.22 1j7h s GLU 122 CO -0.07 0.17 0.15 0.96 -0.54 0.00 0.00 175.26 175.92 1j7h s ILE 123 N -2.94 -0.07 -0.28 -3.70 -0.00 -0.27 -3.01 121.20 110.93 1j7h s ILE 123 Ca 0.25 0.19 -0.01 0.00 -0.00 0.00 0.00 60.65 61.08 1j7h s ILE 123 Cb -0.00 -0.25 0.17 0.00 -0.00 0.00 0.00 42.46 42.38 1j7h s ILE 123 CO 0.09 0.08 0.53 -1.83 -0.00 0.00 0.00 174.94 173.80 1j7h s GLU 124 N 1.26 0.50 0.40 0.37 -1.05 -0.89 0.29 118.70 119.57 1j7h s GLU 124 Ca -0.08 0.83 0.04 0.00 -0.15 0.00 0.00 54.97 55.60 1j7h s GLU 124 Cb -0.12 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 1j7h s GLU 124 CO -0.06 -0.65 0.07 0.00 0.95 0.00 0.00 175.26 175.57 1j7h s ALA 125 N 2.75 2.96 0.17 -0.84 0.00 -1.25 -0.47 121.76 125.09 1j7h s ALA 125 Ca 0.18 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.76 1j7h s ALA 125 Cb -0.15 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1j7h s ALA 125 CO -0.20 -0.25 -0.17 0.42 0.00 0.00 0.00 175.76 175.56 1j7h s ILE 126 N -3.14 1.78 0.01 0.00 1.01 -0.49 -1.00 121.20 119.37 1j7h s ILE 126 Ca 0.26 -1.98 -0.10 0.00 0.00 0.00 0.00 60.65 58.83 1j7h s ILE 126 Cb 0.05 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1j7h s ILE 126 CO 0.13 -0.39 0.19 0.00 0.00 0.00 0.00 174.94 174.87 1j7h s ALA 127 N -2.28 -0.45 0.09 9.38 0.00 -1.10 -1.65 121.76 125.75 1j7h s ALA 127 Ca 0.17 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 1j7h s ALA 127 Cb -0.04 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1j7h s ALA 127 CO 0.07 -0.26 0.22 0.54 0.00 0.00 0.00 175.76 176.33 1j7h s VAL 128 N -1.64 0.13 -0.40 0.00 0.11 -1.17 0.13 120.40 117.56 1j7h s VAL 128 Ca -0.12 -1.08 0.10 0.00 -2.93 0.00 0.00 61.98 57.94 1j7h s VAL 128 Cb -0.06 -1.31 0.35 0.00 -1.53 0.00 0.00 36.38 33.83 1j7h s VAL 128 CO 0.01 -0.60 0.92 -2.11 -3.33 0.00 0.00 175.10 169.99 1j7h n ARG 129 N -0.08 1.01 0.00 1.54 -4.01 -0.01 -4.67 116.66 110.43 1j7h n ARG 129 Ca -0.15 -2.75 0.03 0.00 -1.04 0.00 0.00 57.85 53.93 1j7h n ARG 129 Cb 0.63 -1.34 0.02 0.00 -3.04 0.00 0.00 32.46 28.72 1j7h n ARG 129 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95