#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h6k s SER 39 N 0.00 6.04 -0.08 3.14 0.15 -1.26 -4.87 113.70 116.82 1h6k s SER 39 Ca 0.00 3.00 0.11 0.00 0.70 0.00 0.00 55.95 59.76 1h6k s SER 39 Cb 0.00 -2.66 0.22 0.00 -1.71 0.00 0.00 66.02 61.87 1h6k s SER 39 CO 0.00 -1.07 1.14 0.00 1.20 0.00 0.00 173.24 174.51 1h6k s THR 41 N -2.03 2.43 -0.02 0.00 2.01 -1.26 -0.93 115.64 115.84 1h6k s THR 41 Ca 0.21 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1h6k s THR 41 Cb 0.17 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1h6k s THR 41 CO 0.04 0.58 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.54 1h6k s LEU 42 N -0.51 2.10 0.30 4.42 1.43 0.38 -0.76 118.68 126.04 1h6k s LEU 42 Ca 0.07 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 1h6k s LEU 42 Cb -0.11 -1.36 -0.10 0.00 0.03 0.00 0.00 46.19 44.65 1h6k s LEU 42 CO 0.01 0.32 0.93 -0.31 0.23 0.00 0.00 176.35 177.52 1h6k s TYR 43 N -0.59 3.74 -0.08 0.29 1.51 0.19 -0.71 117.35 121.70 1h6k s TYR 43 Ca 0.09 1.78 0.02 0.00 -1.01 0.00 0.00 57.07 57.95 1h6k s TYR 43 Cb -0.10 -2.91 0.01 0.00 -0.11 0.00 0.00 41.96 38.85 1h6k s TYR 43 CO -0.01 0.26 -0.13 0.08 -1.11 0.00 0.00 175.55 174.65 1h6k s VAL 44 N -1.54 1.24 0.37 0.71 1.01 0.74 -1.98 120.40 120.95 1h6k s VAL 44 Ca 0.48 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1h6k s VAL 44 Cb -0.20 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 1h6k s VAL 44 CO 0.25 0.39 -0.04 -0.83 0.00 0.00 0.00 175.10 174.86 1h6k s GLY 45 N 0.86 2.30 -0.75 4.51 0.00 0.21 -0.97 107.32 113.48 1h6k s GLY 45 Ca -0.10 -2.17 0.00 0.00 0.00 0.00 0.00 44.72 42.45 1h6k s GLY 45 CO 0.01 -2.04 0.00 -2.01 0.00 0.00 0.00 173.10 169.06 1h6k n ASN 46 N -0.85 -3.79 -4.77 1.64 5.15 -0.78 -1.46 115.26 110.40 1h6k n ASN 46 Ca -0.05 0.17 -0.38 0.00 -0.60 0.00 0.00 54.58 53.72 1h6k n ASN 46 Cb 0.65 -2.00 -0.03 0.00 -0.53 0.00 0.00 39.78 37.88 1h6k n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1h6k s LEU 47 N -1.66 4.17 0.68 1.20 1.43 0.47 -4.73 118.68 120.24 1h6k s LEU 47 Ca 0.00 2.22 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 1h6k s LEU 47 Cb 0.00 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 42.14 1h6k s LEU 47 CO 0.00 -0.61 1.12 -0.94 0.23 0.00 0.00 176.35 176.15 1h6k s SER 48 N -1.31 4.90 0.28 2.29 1.04 -1.26 -4.25 113.70 115.39 1h6k s SER 48 Ca 0.57 2.02 -0.01 0.00 0.48 0.00 0.00 55.95 59.01 1h6k s SER 48 Cb -0.27 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 63.75 1h6k s SER 48 CO 0.34 -1.77 1.90 0.15 0.98 0.00 0.00 173.24 174.84 1h6k h PHE 49 N -0.17 1.14 -0.31 5.02 3.57 -1.98 -2.02 116.94 122.19 1h6k h PHE 49 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1h6k h PHE 49 Cb 1.25 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1h6k h PHE 49 CO 0.54 0.60 0.00 2.48 -2.23 0.00 0.00 178.31 179.70 1h6k n TYR 50 N -4.49 0.56 -2.52 0.41 -0.00 -1.26 -4.88 117.16 104.97 1h6k n TYR 50 Ca 0.14 -0.24 -0.42 0.00 -0.00 0.00 0.00 57.90 57.38 1h6k n TYR 50 Cb 0.18 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.34 39.42 1h6k n TYR 50 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1h6k s THR 51 N -1.62 4.38 0.27 -3.48 2.01 -0.76 -5.03 115.64 111.41 1h6k s THR 51 Ca 0.22 1.70 0.06 0.00 0.31 0.00 0.00 61.69 63.98 1h6k s THR 51 Cb 0.13 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1h6k s THR 51 CO 0.13 0.05 0.34 0.42 -0.69 0.00 0.00 174.62 174.87 1h6k s THR 52 N 1.76 4.76 0.34 -0.82 -4.23 -1.26 -4.97 115.64 111.21 1h6k s THR 52 Ca 0.55 -1.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.01 1h6k s THR 52 Cb -0.24 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.27 1h6k s THR 52 CO 0.24 -0.29 1.89 -0.08 -0.54 0.00 0.00 174.62 175.84 1h6k h GLU 53 N 1.19 0.79 -0.34 3.99 4.81 -1.99 -1.29 114.58 121.75 1h6k h GLU 53 Ca -0.50 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1h6k h GLU 53 Cb 1.24 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1h6k h GLU 53 CO 0.59 0.52 0.14 0.93 -0.73 0.00 0.00 179.01 180.47 1h6k h GLU 54 N 0.82 0.51 -0.26 1.92 3.07 -1.99 0.79 114.58 119.43 1h6k h GLU 54 Ca 0.42 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.36 59.09 1h6k h GLU 54 Cb 0.49 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1h6k h GLU 54 CO -0.18 0.49 -0.26 1.96 -1.40 0.00 0.00 179.01 179.62 1h6k h GLN 55 N 0.41 0.52 -0.44 2.33 4.20 -1.79 -0.89 115.11 119.45 1h6k h GLN 55 Ca 0.12 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1h6k h GLN 55 Cb 0.17 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1h6k h GLN 55 CO -0.01 0.74 -0.23 0.82 -0.67 0.00 0.00 178.83 179.48 1h6k h ILE 56 N 0.45 1.27 -0.24 2.54 2.04 -0.98 -1.82 117.51 120.78 1h6k h ILE 56 Ca 0.06 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.58 1h6k h ILE 56 Cb 0.70 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1h6k h ILE 56 CO 0.05 0.47 -0.04 1.88 0.00 0.00 0.00 178.15 180.51 1h6k h TYR 57 N 0.76 -0.09 -0.47 1.37 0.05 -0.41 0.88 116.97 119.05 1h6k h TYR 57 Ca 0.09 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1h6k h TYR 57 Cb 0.80 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.60 1h6k h TYR 57 CO 0.06 -0.08 0.30 1.49 -1.05 0.00 0.00 178.16 178.87 1h6k h GLU 58 N 0.02 0.63 0.12 4.88 4.57 -1.01 -0.97 114.58 122.83 1h6k h GLU 58 Ca 0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1h6k h GLU 58 Cb 0.17 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1h6k h GLU 58 CO -0.23 0.44 -0.06 1.25 -1.18 0.00 0.00 179.01 179.23 1h6k h LEU 59 N 0.63 -0.14 -1.56 1.64 5.85 -1.11 -3.27 115.31 117.35 1h6k h LEU 59 Ca 0.17 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1h6k h LEU 59 Cb -0.04 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1h6k h LEU 59 CO -0.03 0.41 0.00 -0.26 -0.34 0.00 0.00 178.44 178.21 1h6k h PHE 60 N -0.76 0.00 0.00 1.25 -1.00 -0.85 -2.37 116.94 113.20 1h6k h PHE 60 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1h6k h PHE 60 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1h6k h PHE 60 CO 0.09 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.22 1h6k n SER 61 N -3.07 0.53 0.28 2.17 7.64 -0.37 -2.38 113.62 118.41 1h6k n SER 61 Ca 0.00 0.66 0.16 0.00 1.01 0.00 0.00 58.87 60.70 1h6k n SER 61 Cb 0.29 -0.76 0.74 0.00 -1.01 0.00 0.00 64.21 63.47 1h6k n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1h6k h LYS 62 N 0.00 0.00 -0.01 1.43 1.57 -1.55 -2.15 116.57 115.87 1h6k h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h6k h LYS 62 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1h6k h LYS 62 CO 0.00 0.06 -0.71 -1.13 -0.57 0.00 0.00 179.45 177.10 1h6k n SER 63 N -3.23 1.25 0.00 0.86 3.41 -1.00 -5.07 113.62 109.84 1h6k n SER 63 Ca -0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1h6k n SER 63 Cb 0.28 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1h6k n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h6k n GLY 64 N 1.46 -0.68 3.68 5.00 0.00 -0.81 -4.54 105.19 109.30 1h6k n GLY 64 Ca 0.07 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1h6k n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h6k s ASP 65 N -0.87 7.02 -0.15 1.61 1.11 -1.26 -4.26 116.67 119.87 1h6k s ASP 65 Ca 0.00 1.82 -0.21 0.00 0.18 0.00 0.00 52.55 54.34 1h6k s ASP 65 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1h6k s ASP 65 CO 0.00 -0.62 0.61 -0.63 1.18 0.00 0.00 175.17 175.71 1h6k s ILE 66 N 2.40 5.07 -0.06 0.77 1.01 -1.26 -2.77 121.20 126.36 1h6k s ILE 66 Ca 0.56 1.19 -0.23 0.00 0.00 0.00 0.00 60.65 62.17 1h6k s ILE 66 Cb -0.25 -3.94 -0.29 0.00 0.01 0.00 0.00 42.46 38.00 1h6k s ILE 66 CO 0.21 0.20 0.90 0.50 0.00 0.00 0.00 174.94 176.75 1h6k h LYS 67 N 7.12 0.24 -2.17 2.79 3.64 -0.12 -3.47 116.57 124.60 1h6k h LYS 67 Ca -0.36 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 58.58 1h6k h LYS 67 Cb 1.16 0.13 -0.21 0.00 -0.41 0.00 0.00 32.23 32.91 1h6k h LYS 67 CO 0.76 1.16 0.06 0.21 -2.27 0.00 0.00 179.45 179.38 1h6k s LYS 68 N -2.51 0.82 -0.07 1.90 2.20 -0.90 -5.00 119.74 116.18 1h6k s LYS 68 Ca -0.15 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.24 1h6k s LYS 68 Cb 0.00 0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1h6k s LYS 68 CO 0.79 -0.14 -0.21 0.42 -0.36 0.00 0.00 175.35 175.85 1h6k s ILE 69 N -0.03 1.76 -0.20 5.43 1.01 -1.26 -0.35 121.20 127.57 1h6k s ILE 69 Ca -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1h6k s ILE 69 Cb -0.04 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.95 1h6k s ILE 69 CO 0.03 0.49 -0.13 -0.63 0.00 0.00 0.00 174.94 174.70 1h6k s ILE 70 N 0.17 1.80 0.26 2.92 1.01 -0.38 -4.97 121.20 122.01 1h6k s ILE 70 Ca -0.10 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 1h6k s ILE 70 Cb -0.15 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.43 1h6k s ILE 70 CO 0.05 0.26 1.03 -0.04 0.00 0.00 0.00 174.94 176.24 1h6k s MET 71 N 1.34 4.73 0.09 2.79 -1.94 -1.26 -0.38 119.30 124.67 1h6k s MET 71 Ca -0.00 1.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.64 1h6k s MET 71 Cb -0.16 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.46 1h6k s MET 71 CO -0.09 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 175.67 1h6k n GLY 72 N 1.31 -3.17 0.41 -0.03 0.00 -0.31 -4.70 105.19 98.69 1h6k n GLY 72 Ca -0.01 -1.94 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1h6k n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h6k n LEU 73 N 0.00 1.77 -4.50 0.99 4.77 -1.26 -3.90 117.00 114.87 1h6k n LEU 73 Ca 0.00 -0.75 -0.43 0.00 -0.03 0.00 0.00 56.01 54.80 1h6k n LEU 73 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1h6k n LEU 73 CO 0.00 0.34 0.59 -0.62 -1.33 0.00 0.00 177.39 176.36 1h6k s ASP 74 N -2.18 6.30 0.29 -1.43 2.15 -1.26 -4.89 116.67 115.65 1h6k s ASP 74 Ca 0.15 -0.54 0.25 0.00 0.43 0.00 0.00 52.55 52.84 1h6k s ASP 74 Cb 0.15 -2.38 1.03 0.00 -0.30 0.00 0.00 42.92 41.42 1h6k s ASP 74 CO 0.49 -1.08 1.75 0.50 -0.17 0.00 0.00 175.17 176.65 1h6k h LYS 75 N 9.17 0.00 -0.58 4.34 3.64 -1.95 -0.24 116.57 130.95 1h6k h LYS 75 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1h6k h LYS 75 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1h6k h LYS 75 CO 1.03 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 176.88 1h6k n MET 76 N -2.34 1.80 -1.79 1.90 2.81 -1.26 -5.10 117.12 113.14 1h6k n MET 76 Ca 0.02 -0.80 -0.01 0.00 -1.81 0.00 0.00 57.70 55.09 1h6k n MET 76 Cb 0.24 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.27 1h6k n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1h6k n LYS 77 N 0.14 -1.20 0.00 0.03 5.02 -0.11 -5.24 118.16 116.80 1h6k n LYS 77 Ca 0.07 1.27 0.00 0.00 -2.02 0.00 0.00 58.31 57.63 1h6k n LYS 77 Cb 0.36 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1h6k n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h6k n GLY 82 N -1.65 0.46 3.52 0.00 0.00 -1.26 -4.84 105.19 101.41 1h6k n GLY 82 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1h6k n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h6k s PHE 83 N -2.03 2.45 0.24 1.61 0.08 -1.26 -0.39 117.98 118.67 1h6k s PHE 83 Ca 0.00 -0.29 -0.18 0.00 0.12 0.00 0.00 56.93 56.58 1h6k s PHE 83 Cb 0.00 -1.11 0.02 0.00 -0.57 0.00 0.00 43.02 41.36 1h6k s PHE 83 CO 0.00 0.62 0.59 0.00 -0.10 0.00 0.00 175.22 176.33 1h6k s PHE 85 N -3.92 2.90 -0.17 0.00 0.40 0.49 -0.18 117.98 117.51 1h6k s PHE 85 Ca 0.13 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1h6k s PHE 85 Cb -0.03 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.71 1h6k s PHE 85 CO 0.03 0.06 -0.19 0.08 0.70 0.00 0.00 175.22 175.90 1h6k s VAL 86 N -0.14 1.97 -0.15 -0.44 1.01 0.11 -1.25 120.40 121.51 1h6k s VAL 86 Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1h6k s VAL 86 Cb -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1h6k s VAL 86 CO 0.03 0.53 -0.11 -0.70 0.00 0.00 0.00 175.10 174.85 1h6k s GLU 87 N 1.23 3.42 0.25 2.72 2.12 0.53 -0.47 118.70 128.51 1h6k s GLU 87 Ca 0.03 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 54.76 1h6k s GLU 87 Cb -0.13 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 1h6k s GLU 87 CO -0.10 0.15 0.28 0.71 -0.54 0.00 0.00 175.26 175.76 1h6k s TYR 88 N 0.53 3.25 0.13 5.30 2.02 -0.10 0.59 117.35 129.06 1h6k s TYR 88 Ca -0.07 -0.08 0.13 0.00 -0.37 0.00 0.00 57.07 56.68 1h6k s TYR 88 Cb -0.15 -1.50 0.30 0.00 -0.40 0.00 0.00 41.96 40.21 1h6k s TYR 88 CO 0.04 0.46 1.56 1.88 -1.57 0.00 0.00 175.55 177.92 1h6k h TYR 89 N 1.33 0.00 -4.02 2.71 0.05 -1.83 -3.43 116.97 111.78 1h6k h TYR 89 Ca -0.50 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.79 1h6k h TYR 89 Cb 1.24 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.74 1h6k h TYR 89 CO 0.50 0.59 -0.81 -1.54 -1.05 0.00 0.00 178.16 175.85 1h6k s SER 90 N -6.61 2.04 0.14 3.88 1.04 -1.26 -5.03 113.70 107.90 1h6k s SER 90 Ca 0.01 -0.56 -0.17 0.00 0.48 0.00 0.00 55.95 55.71 1h6k s SER 90 Cb 0.11 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 1h6k s SER 90 CO 0.74 0.04 1.77 -0.09 0.98 0.00 0.00 173.24 176.69 1h6k h ARG 91 N 4.59 0.45 -0.93 4.02 9.65 -1.88 -2.56 114.38 127.73 1h6k h ARG 91 Ca -0.41 -0.04 0.20 0.00 -1.10 0.00 0.00 59.98 58.63 1h6k h ARG 91 Cb 1.18 -0.10 -0.11 0.00 -1.39 0.00 0.00 29.97 29.55 1h6k h ARG 91 CO 0.42 0.34 0.49 0.00 2.80 0.00 0.00 179.97 184.01 1h6k h ALA 92 N 1.09 1.51 -0.13 2.80 0.00 -1.96 0.12 119.26 122.69 1h6k h ALA 92 Ca 0.12 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1h6k h ALA 92 Cb -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1h6k h ALA 92 CO -0.02 -0.21 -0.60 -0.44 0.00 0.00 0.00 179.25 177.97 1h6k h ASP 93 N 0.56 0.50 -0.37 0.00 3.32 -1.70 -1.77 116.42 116.96 1h6k h ASP 93 Ca 0.56 -0.29 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 1h6k h ASP 93 Cb 0.97 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1h6k h ASP 93 CO -0.45 0.99 -0.29 0.00 -1.72 0.00 0.00 179.24 177.77 1h6k h ALA 94 N 1.02 0.54 -0.76 3.45 0.00 -0.95 -2.05 119.26 120.51 1h6k h ALA 94 Ca -0.00 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1h6k h ALA 94 Cb 1.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1h6k h ALA 94 CO 0.11 0.57 0.45 0.93 0.00 0.00 0.00 179.25 181.30 1h6k h GLU 95 N 0.66 0.79 0.00 0.00 5.08 -0.61 -0.07 114.58 120.43 1h6k h GLU 95 Ca 0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1h6k h GLU 95 Cb 0.87 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1h6k h GLU 95 CO 0.08 0.52 -0.31 -0.91 -1.00 0.00 0.00 179.01 177.39 1h6k h ASN 96 N 0.81 0.00 -0.22 1.42 2.35 -1.19 -0.10 115.58 118.65 1h6k h ASN 96 Ca 0.33 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.96 1h6k h ASN 96 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1h6k h ASN 96 CO -0.18 0.31 -0.33 0.00 -1.65 0.00 0.00 177.43 175.58 1h6k h ALA 97 N 1.69 0.34 -0.66 -0.83 0.00 -0.45 -0.64 119.26 118.71 1h6k h ALA 97 Ca -0.00 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1h6k h ALA 97 Cb 0.72 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1h6k h ALA 97 CO 0.04 0.38 0.44 0.52 0.00 0.00 0.00 179.25 180.63 1h6k h MET 98 N 0.31 0.68 -0.01 0.00 2.86 -0.46 -0.99 114.93 117.31 1h6k h MET 98 Ca 0.02 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.37 1h6k h MET 98 Cb 0.92 -0.15 0.02 0.00 0.06 0.00 0.00 31.60 32.44 1h6k h MET 98 CO 0.08 0.45 -1.00 0.00 1.06 0.00 0.00 176.91 177.49 1h6k h ARG 99 N 0.70 0.62 0.00 1.72 3.08 -0.79 -3.39 114.38 116.32 1h6k h ARG 99 Ca 0.28 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1h6k h ARG 99 Cb 0.21 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1h6k h ARG 99 CO -0.09 1.26 -0.79 0.66 -1.07 0.00 0.00 179.97 179.94 1h6k n TYR 100 N -3.82 0.00 -0.11 3.04 4.01 -0.27 -4.78 117.16 115.23 1h6k n TYR 100 Ca -0.10 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.45 1h6k n TYR 100 Cb 0.86 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.77 1h6k n TYR 100 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1h6k n ILE 101 N -1.21 1.55 -1.63 -0.72 2.08 -0.44 -4.77 119.36 114.22 1h6k n ILE 101 Ca 0.00 -0.57 -0.48 0.00 0.56 0.00 0.00 62.75 62.26 1h6k n ILE 101 Cb 0.00 -1.51 -0.05 0.00 -0.75 0.00 0.00 39.64 37.34 1h6k n ILE 101 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1h6k n ASN 102 N -3.37 2.24 -0.22 4.38 5.15 -0.85 -1.52 115.26 121.08 1h6k n ASN 102 Ca -0.44 1.11 -0.03 0.00 -0.60 0.00 0.00 54.58 54.63 1h6k n ASN 102 Cb 0.99 -1.31 -0.01 0.00 -0.53 0.00 0.00 39.78 38.92 1h6k n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h6k n GLY 103 N 2.68 0.61 2.73 8.20 0.00 -0.20 -4.94 105.19 114.27 1h6k n GLY 103 Ca 0.16 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1h6k n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h6k n THR 104 N -2.87 0.00 -3.90 2.61 -2.24 -0.58 -4.82 114.28 102.49 1h6k n THR 104 Ca -0.03 -1.74 -0.34 0.00 -2.27 0.00 0.00 64.05 59.67 1h6k n THR 104 Cb 0.12 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 1h6k n THR 104 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1h6k s ARG 105 N -3.44 3.44 -0.09 -0.78 0.52 -1.26 -1.48 118.95 115.85 1h6k s ARG 105 Ca 0.06 -0.29 -0.03 0.00 -0.52 0.00 0.00 55.73 54.95 1h6k s ARG 105 Cb -0.00 -3.11 0.05 0.00 0.52 0.00 0.00 34.95 32.40 1h6k s ARG 105 CO 0.04 0.69 0.15 -1.17 0.02 0.00 0.00 175.30 175.03 1h6k s LEU 106 N -1.78 -0.04 -1.52 2.53 2.96 -0.35 -4.77 118.68 115.72 1h6k s LEU 106 Ca 0.25 0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 54.33 1h6k s LEU 106 Cb -0.13 0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.79 1h6k s LEU 106 CO 0.16 -0.26 0.70 -0.67 -1.32 0.00 0.00 176.35 174.96 1h6k n ASP 107 N 5.32 -6.07 0.00 3.68 -0.08 -1.26 -1.88 116.55 116.26 1h6k n ASP 107 Ca -0.05 -0.34 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 1h6k n ASP 107 Cb 0.50 -4.89 0.00 0.00 2.34 0.00 0.00 41.12 39.07 1h6k n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1h6k n ASP 108 N -2.60 -5.11 -4.77 1.67 2.03 -1.26 -4.94 116.55 101.57 1h6k n ASP 108 Ca -0.09 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.88 1h6k n ASP 108 Cb 0.61 -2.68 -0.08 0.00 -0.72 0.00 0.00 41.12 38.25 1h6k n ASP 108 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1h6k s ARG 109 N -1.45 3.10 -0.37 -0.67 0.52 -0.79 -5.01 118.95 114.29 1h6k s ARG 109 Ca 0.00 -0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 1h6k s ARG 109 Cb 0.00 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.60 1h6k s ARG 109 CO 0.00 0.69 1.12 0.42 0.02 0.00 0.00 175.30 177.55 1h6k s ILE 110 N -1.06 4.38 0.46 1.52 1.01 -1.26 -1.21 121.20 125.04 1h6k s ILE 110 Ca 0.18 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.35 1h6k s ILE 110 Cb -0.12 -4.45 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 1h6k s ILE 110 CO 0.08 -0.65 0.72 0.27 0.00 0.00 0.00 174.94 175.36 1h6k s ILE 111 N 3.97 4.49 -0.01 2.92 -4.36 -0.55 -4.81 121.20 122.85 1h6k s ILE 111 Ca 0.47 -0.19 0.05 0.00 -0.26 0.00 0.00 60.65 60.72 1h6k s ILE 111 Cb -0.11 -3.69 -0.01 0.00 1.25 0.00 0.00 42.46 39.90 1h6k s ILE 111 CO 0.21 -0.57 -0.16 -0.13 0.24 0.00 0.00 174.94 174.53 1h6k s ARG 112 N -4.63 1.31 0.09 0.37 0.52 -0.54 -1.03 118.95 115.04 1h6k s ARG 112 Ca 0.47 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 1h6k s ARG 112 Cb -0.10 -1.27 -0.03 0.00 0.52 0.00 0.00 34.95 34.07 1h6k s ARG 112 CO 0.41 0.35 -0.12 0.95 0.02 0.00 0.00 175.30 176.90 1h6k s THR 113 N -0.40 1.07 0.15 0.02 -4.23 -1.26 0.68 115.64 111.67 1h6k s THR 113 Ca 0.06 -1.52 -0.21 0.00 -1.18 0.00 0.00 61.69 58.84 1h6k s THR 113 Cb -0.06 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.57 1h6k s THR 113 CO -0.01 -0.41 0.55 -0.62 -0.54 0.00 0.00 174.62 173.60 1h6k s ASP 114 N -2.17 -0.48 0.28 3.99 2.15 -0.84 -4.98 116.67 114.62 1h6k s ASP 114 Ca 0.03 -0.09 -0.30 0.00 0.43 0.00 0.00 52.55 52.63 1h6k s ASP 114 Cb -0.06 0.57 -0.10 0.00 -0.30 0.00 0.00 42.92 43.03 1h6k s ASP 114 CO 0.02 -0.94 1.43 0.26 -0.17 0.00 0.00 175.17 175.76 1h6k s TRP 115 N -3.77 2.96 -1.08 -5.34 0.52 -1.26 -0.63 118.94 110.35 1h6k s TRP 115 Ca 0.02 1.09 -0.10 0.00 0.02 0.00 0.00 56.10 57.13 1h6k s TRP 115 Cb -0.00 -3.83 0.26 0.00 -1.15 0.00 0.00 33.47 28.74 1h6k s TRP 115 CO -0.13 -2.62 1.09 0.34 0.02 0.00 0.00 176.95 175.66 1h6k s ASP 116 N 0.16 7.21 0.39 2.95 3.68 0.06 -4.72 116.67 126.41 1h6k s ASP 116 Ca 0.57 -3.38 -0.01 0.00 2.13 0.00 0.00 52.55 51.85 1h6k s ASP 116 Cb -0.42 -2.23 -0.03 0.00 -1.45 0.00 0.00 42.92 38.78 1h6k s ASP 116 CO 0.47 -0.38 0.62 0.00 0.13 0.00 0.00 175.17 176.01 1h6k s ALA 117 N -0.73 3.60 -1.49 3.66 0.00 -1.26 -4.66 121.76 120.88 1h6k s ALA 117 Ca 0.30 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1h6k s ALA 117 Cb -0.09 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1h6k s ALA 117 CO -0.07 -0.13 0.37 0.41 0.00 0.00 0.00 175.76 176.34