#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 5.01 -0.08 3.14 0.15 -1.26 -4.90 113.70 115.77 1h6k s SER 39 Ca 0.00 2.41 0.11 0.00 0.70 0.00 0.00 55.95 59.17 1h6k s SER 39 Cb 0.00 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.88 1h6k s SER 39 CO 0.00 -1.71 1.07 0.00 1.20 0.00 0.00 173.24 173.79 1h6k s THR 41 N -1.98 2.18 0.01 0.00 2.01 -1.26 -0.45 115.64 116.14 1h6k s THR 41 Ca 0.19 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.23 1h6k s THR 41 Cb 0.16 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1h6k s THR 41 CO 0.02 0.57 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.60 1h6k s LEU 42 N -0.04 2.70 0.32 4.42 1.43 0.27 -0.89 118.68 126.89 1h6k s LEU 42 Ca -0.07 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 1h6k s LEU 42 Cb -0.15 -1.57 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 1h6k s LEU 42 CO 0.05 0.29 0.91 -0.31 0.23 0.00 0.00 176.35 177.52 1h6k s TYR 43 N -0.87 3.65 -0.09 0.29 1.51 0.65 -1.28 117.35 121.22 1h6k s TYR 43 Ca 0.14 1.70 0.03 0.00 -1.01 0.00 0.00 57.07 57.93 1h6k s TYR 43 Cb -0.11 -2.87 0.01 0.00 -0.11 0.00 0.00 41.96 38.89 1h6k s TYR 43 CO 0.04 0.20 -0.18 0.08 -1.11 0.00 0.00 175.55 174.58 1h6k s VAL 44 N -1.66 1.59 0.30 0.71 1.01 0.13 -1.99 120.40 120.49 1h6k s VAL 44 Ca 0.50 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1h6k s VAL 44 Cb -0.17 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1h6k s VAL 44 CO 0.22 0.46 -0.09 -0.83 0.00 0.00 0.00 175.10 174.86 1h6k s GLY 45 N 0.62 1.94 -0.69 4.51 0.00 0.14 -1.39 107.32 112.46 1h6k s GLY 45 Ca -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 42.63 1h6k s GLY 45 CO 0.04 -1.91 0.00 -2.01 0.00 0.00 0.00 173.10 169.22 1h6k n ASN 46 N -0.65 -3.56 -4.77 1.64 5.15 -0.85 -1.38 115.26 110.86 1h6k n ASN 46 Ca -0.05 0.13 -0.40 0.00 -0.60 0.00 0.00 54.58 53.66 1h6k n ASN 46 Cb 0.63 -1.91 -0.03 0.00 -0.53 0.00 0.00 39.78 37.94 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 -1.62 4.43 0.92 1.20 1.43 -0.56 -4.71 118.68 119.78 1h6k s LEU 47 Ca 0.00 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 1h6k s LEU 47 Cb 0.00 -3.71 0.15 0.00 0.03 0.00 0.00 46.19 42.66 1h6k s LEU 47 CO 0.00 -0.41 1.11 -0.94 0.23 0.00 0.00 176.35 176.34 1h6k s SER 48 N -0.76 3.03 0.23 2.29 1.04 -1.26 -4.22 113.70 114.06 1h6k s SER 48 Ca 0.49 1.91 -0.06 0.00 0.48 0.00 0.00 55.95 58.76 1h6k s SER 48 Cb -0.35 -2.46 0.22 0.00 0.10 0.00 0.00 66.02 63.53 1h6k s SER 48 CO 0.46 -2.99 1.83 0.15 0.98 0.00 0.00 173.24 173.67 1h6k h PHE 49 N -1.79 1.20 -0.13 5.02 3.57 -1.99 -2.80 116.94 120.03 1h6k h PHE 49 Ca -0.47 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1h6k h PHE 49 Cb 1.27 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1h6k h PHE 49 CO 0.47 0.86 0.00 0.66 -2.23 0.00 0.00 178.31 178.07 1h6k n TYR 50 N -4.31 0.16 -2.08 0.41 4.02 -1.26 -4.90 117.16 109.20 1h6k n TYR 50 Ca 0.08 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1h6k n TYR 50 Cb 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 1h6k n TYR 50 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1h6k s THR 51 N -1.84 3.01 0.22 -0.72 2.01 -1.06 -5.01 115.64 112.25 1h6k s THR 51 Ca 0.34 0.74 0.06 0.00 0.31 0.00 0.00 61.69 63.13 1h6k s THR 51 Cb 0.18 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1h6k s THR 51 CO 0.28 0.07 0.20 0.42 -0.69 0.00 0.00 174.62 174.89 1h6k s THR 52 N 0.97 4.58 0.26 -0.82 -4.23 -1.26 -4.97 115.64 110.17 1h6k s THR 52 Ca 0.66 -1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1h6k s THR 52 Cb -0.40 -3.43 0.25 0.00 1.34 0.00 0.00 72.50 70.26 1h6k s THR 52 CO 0.32 -0.26 1.72 -0.08 -0.54 0.00 0.00 174.62 175.78 1h6k h GLU 53 N 1.78 0.44 -0.62 3.99 4.81 -1.98 0.06 114.58 123.05 1h6k h GLU 53 Ca -0.49 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1h6k h GLU 53 Cb 1.22 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1h6k h GLU 53 CO 0.62 0.29 0.36 0.93 -0.73 0.00 0.00 179.01 180.48 1h6k h GLU 54 N 0.46 0.66 -0.42 1.92 3.07 -1.99 0.24 114.58 118.52 1h6k h GLU 54 Ca 0.47 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 59.16 1h6k h GLU 54 Cb 0.78 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1h6k h GLU 54 CO -0.45 0.44 -0.27 1.96 -1.40 0.00 0.00 179.01 179.29 1h6k h GLN 55 N 0.68 0.90 -0.71 2.33 4.20 -1.52 -1.63 115.11 119.36 1h6k h GLN 55 Ca 0.26 -0.41 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1h6k h GLN 55 Cb 0.10 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1h6k h GLN 55 CO -0.14 1.06 0.20 0.82 -0.67 0.00 0.00 178.83 180.10 1h6k h ILE 56 N 0.77 1.26 -0.18 2.54 2.04 -0.54 -1.60 117.51 121.79 1h6k h ILE 56 Ca 0.09 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1h6k h ILE 56 Cb 0.84 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1h6k h ILE 56 CO 0.07 0.36 0.01 1.88 0.00 0.00 0.00 178.15 180.47 1h6k h TYR 57 N 1.07 0.01 -0.17 1.37 0.05 -0.27 -1.37 116.97 117.66 1h6k h TYR 57 Ca 0.23 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1h6k h TYR 57 Cb 0.34 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1h6k h TYR 57 CO 0.03 -0.01 0.11 1.49 -1.05 0.00 0.00 178.16 178.72 1h6k h GLU 58 N 0.07 0.22 0.26 4.88 4.57 -0.99 -1.75 114.58 121.84 1h6k h GLU 58 Ca 0.08 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1h6k h GLU 58 Cb 0.10 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1h6k h GLU 58 CO -0.13 0.14 -0.12 1.25 -1.18 0.00 0.00 179.01 178.96 1h6k h LEU 59 N 0.22 -0.30 -1.17 1.64 5.85 -1.18 -3.26 115.31 117.11 1h6k h LEU 59 Ca 0.06 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1h6k h LEU 59 Cb -0.02 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1h6k h LEU 59 CO -0.02 0.06 0.00 -0.26 -0.34 0.00 0.00 178.44 177.88 1h6k h PHE 60 N -0.69 0.00 0.00 1.25 -1.00 -1.29 -2.34 116.94 112.88 1h6k h PHE 60 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1h6k h PHE 60 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1h6k h PHE 60 CO 0.03 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.16 1h6k n SER 61 N -3.07 0.35 0.23 2.17 7.64 -0.66 -2.14 113.62 118.14 1h6k n SER 61 Ca 0.01 0.60 0.16 0.00 1.01 0.00 0.00 58.87 60.65 1h6k n SER 61 Cb 0.35 -0.67 0.65 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.00 1.43 1.57 -1.53 -2.50 116.57 115.54 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1h6k h LYS 62 CO 0.00 0.00 -0.72 -1.13 -0.57 0.00 0.00 179.45 177.03 1h6k n SER 63 N -2.82 1.15 0.00 0.86 3.41 -0.91 -5.06 113.62 110.25 1h6k n SER 63 Ca 0.01 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1h6k n SER 63 Cb 0.27 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 1.47 -1.02 3.69 5.00 0.00 -0.94 -4.50 105.19 108.88 1h6k n GLY 64 Ca 0.06 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.72 7.17 -0.10 1.61 1.11 -1.26 -4.21 116.67 120.27 1h6k s ASP 65 Ca 0.00 1.62 -0.23 0.00 0.18 0.00 0.00 52.55 54.12 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 -0.51 0.71 -0.63 1.18 0.00 0.00 175.17 175.92 1h6k s ILE 66 N 2.17 5.02 -0.11 0.77 1.01 -1.26 -2.89 121.20 125.91 1h6k s ILE 66 Ca 0.51 1.44 -0.27 0.00 0.00 0.00 0.00 60.65 62.33 1h6k s ILE 66 Cb -0.20 -4.04 -0.24 0.00 0.01 0.00 0.00 42.46 37.99 1h6k s ILE 66 CO 0.19 0.20 0.87 0.50 0.00 0.00 0.00 174.94 176.69 1h6k h LYS 67 N 6.95 -0.01 -2.49 2.79 3.64 0.21 -3.46 116.57 124.20 1h6k h LYS 67 Ca -0.38 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.91 1h6k h LYS 67 Cb 1.18 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.79 1h6k h LYS 67 CO 0.77 0.82 -0.06 0.21 -2.27 0.00 0.00 179.45 178.91 1h6k s LYS 68 N -2.73 0.76 -0.10 1.90 2.20 -0.84 -5.00 119.74 115.92 1h6k s LYS 68 Ca -0.17 0.34 0.04 0.00 -0.36 0.00 0.00 55.97 55.81 1h6k s LYS 68 Cb -0.02 0.36 -0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1h6k s LYS 68 CO 0.66 -0.18 -0.23 0.42 -0.36 0.00 0.00 175.35 175.66 1h6k s ILE 69 N -0.59 2.12 -0.23 5.43 1.01 -1.26 -0.21 121.20 127.47 1h6k s ILE 69 Ca -0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 1h6k s ILE 69 Cb -0.03 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.66 1h6k s ILE 69 CO 0.04 0.56 -0.10 -0.63 0.00 0.00 0.00 174.94 174.82 1h6k s ILE 70 N 0.30 2.65 0.12 2.92 1.01 -0.03 -4.97 121.20 123.20 1h6k s ILE 70 Ca -0.17 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.15 1h6k s ILE 70 Cb -0.18 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.92 1h6k s ILE 70 CO 0.08 0.27 1.14 -0.04 0.00 0.00 0.00 174.94 176.40 1h6k s MET 71 N 1.31 4.51 0.24 2.79 -1.94 -1.26 -0.47 119.30 124.48 1h6k s MET 71 Ca 0.01 1.74 0.00 0.00 -1.71 0.00 0.00 55.69 55.73 1h6k s MET 71 Cb -0.16 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.37 1h6k s MET 71 CO -0.06 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.27 1h6k n GLY 72 N 2.59 -1.83 0.00 -0.03 0.00 -0.62 -4.72 105.19 100.56 1h6k n GLY 72 Ca 0.06 -1.93 0.00 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 0.01 -4.61 0.99 4.77 -1.26 -3.47 117.00 113.43 1h6k n LEU 73 Ca 0.00 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.21 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 0.00 0.51 -0.62 -1.33 0.00 0.00 177.39 175.96 1h6k s ASP 74 N -1.33 6.60 0.09 -1.43 2.15 -1.26 -4.95 116.67 116.54 1h6k s ASP 74 Ca 0.00 0.58 -0.03 0.00 0.43 0.00 0.00 52.55 53.53 1h6k s ASP 74 Cb 0.00 -2.38 -0.24 0.00 -0.30 0.00 0.00 42.92 40.00 1h6k s ASP 74 CO 0.02 -0.56 1.18 0.11 -0.17 0.00 0.00 175.17 175.75 1h6k h LYS 75 N 8.14 0.25 -0.27 4.34 1.57 -1.95 -3.48 116.57 125.16 1h6k h LYS 75 Ca -0.25 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1h6k h LYS 75 Cb 1.10 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1h6k h LYS 75 CO 0.85 1.17 0.00 -1.33 -0.57 0.00 0.00 179.45 179.57 1h6k n MET 76 N -3.54 1.93 0.00 3.15 2.81 -1.26 -5.14 117.12 115.07 1h6k n MET 76 Ca -0.07 -1.41 0.00 0.00 -1.81 0.00 0.00 57.70 54.41 1h6k n MET 76 Cb 0.99 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 1h6k n MET 76 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h6k n GLY 82 N -0.42 1.89 3.54 0.00 0.00 -1.26 -4.96 105.19 103.97 1h6k n GLY 82 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.13 2.52 0.23 1.61 0.08 -1.26 -1.50 117.98 116.53 1h6k s PHE 83 Ca 0.00 -0.27 -0.22 0.00 0.12 0.00 0.00 56.93 56.56 1h6k s PHE 83 Cb 0.00 -1.19 0.04 0.00 -0.57 0.00 0.00 43.02 41.30 1h6k s PHE 83 CO 0.00 0.56 0.71 0.00 -0.10 0.00 0.00 175.22 176.40 1h6k s PHE 85 N -3.79 2.52 -0.16 0.00 0.40 0.38 0.20 117.98 117.54 1h6k s PHE 85 Ca 0.08 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 55.78 1h6k s PHE 85 Cb -0.04 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1h6k s PHE 85 CO 0.00 -0.17 -0.20 0.08 0.70 0.00 0.00 175.22 175.63 1h6k s VAL 86 N -0.17 2.02 -0.18 -0.44 1.01 -0.40 -0.85 120.40 121.38 1h6k s VAL 86 Ca -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1h6k s VAL 86 Cb -0.14 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1h6k s VAL 86 CO 0.04 0.54 -0.05 -0.70 0.00 0.00 0.00 175.10 174.92 1h6k s GLU 87 N 1.08 3.49 0.36 2.72 2.12 0.71 -0.57 118.70 128.60 1h6k s GLU 87 Ca -0.01 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.76 1h6k s GLU 87 Cb -0.14 -2.92 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 1h6k s GLU 87 CO -0.08 0.03 0.53 0.71 -0.54 0.00 0.00 175.26 175.91 1h6k s TYR 88 N 0.90 3.25 0.14 5.30 2.02 0.40 0.86 117.35 130.22 1h6k s TYR 88 Ca -0.01 0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.75 1h6k s TYR 88 Cb -0.15 -2.02 -0.11 0.00 -0.40 0.00 0.00 41.96 39.29 1h6k s TYR 88 CO 0.01 -0.04 1.31 1.88 -1.57 0.00 0.00 175.55 177.15 1h6k h TYR 89 N 0.76 0.20 -3.93 2.71 0.05 -1.83 -3.42 116.97 111.51 1h6k h TYR 89 Ca -0.47 -0.13 -0.52 0.00 0.05 0.00 0.00 58.73 57.66 1h6k h TYR 89 Cb 1.25 -0.02 -0.22 0.00 1.01 0.00 0.00 36.73 38.75 1h6k h TYR 89 CO 0.45 1.02 -0.81 -1.54 -1.05 0.00 0.00 178.16 176.22 1h6k s SER 90 N -6.88 2.31 0.20 3.88 1.04 -1.26 -5.04 113.70 107.94 1h6k s SER 90 Ca -0.01 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.63 1h6k s SER 90 Cb 0.10 -0.12 0.13 0.00 0.10 0.00 0.00 66.02 66.24 1h6k s SER 90 CO 0.83 0.02 1.86 -0.09 0.98 0.00 0.00 173.24 176.84 1h6k h ARG 91 N 4.13 0.83 -0.91 4.02 9.65 -1.88 -2.88 114.38 127.34 1h6k h ARG 91 Ca -0.45 -0.05 0.09 0.00 -1.10 0.00 0.00 59.98 58.48 1h6k h ARG 91 Cb 1.18 -0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 29.50 1h6k h ARG 91 CO 0.40 0.55 0.55 0.00 2.80 0.00 0.00 179.97 184.27 1h6k h ALA 92 N 1.26 1.31 -0.24 2.80 0.00 -1.96 -0.08 119.26 122.34 1h6k h ALA 92 Ca 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1h6k h ALA 92 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1h6k h ALA 92 CO -0.07 0.20 -0.30 -0.44 0.00 0.00 0.00 179.25 178.64 1h6k h ASP 93 N 0.93 0.49 -0.24 0.00 3.32 -1.74 -1.06 116.42 118.11 1h6k h ASP 93 Ca 0.43 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 1h6k h ASP 93 Cb 0.35 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1h6k h ASP 93 CO -0.23 0.77 -0.29 0.00 -1.72 0.00 0.00 179.24 177.76 1h6k h ALA 94 N 1.26 0.83 -0.42 3.45 0.00 -1.13 -2.19 119.26 121.05 1h6k h ALA 94 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1h6k h ALA 94 Cb 0.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1h6k h ALA 94 CO 0.06 0.64 0.06 0.93 0.00 0.00 0.00 179.25 180.94 1h6k h GLU 95 N 0.63 0.71 0.00 0.00 5.08 -0.53 -2.32 114.58 118.14 1h6k h GLU 95 Ca 0.07 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1h6k h GLU 95 Cb 0.81 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1h6k h GLU 95 CO 0.07 0.75 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.73 1h6k h ASN 96 N 0.56 0.00 -0.41 1.42 2.35 -1.09 -0.99 115.58 117.42 1h6k h ASN 96 Ca 0.13 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1h6k h ASN 96 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1h6k h ASN 96 CO 0.01 0.19 -0.33 0.00 -1.65 0.00 0.00 177.43 175.64 1h6k h ALA 97 N 1.81 0.60 -0.21 -0.83 0.00 -0.98 0.09 119.26 119.74 1h6k h ALA 97 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1h6k h ALA 97 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1h6k h ALA 97 CO 0.02 0.67 -0.11 0.52 0.00 0.00 0.00 179.25 180.35 1h6k h MET 98 N 0.79 0.34 0.14 0.00 2.86 -0.84 0.07 114.93 118.28 1h6k h MET 98 Ca 0.08 -0.08 -0.30 0.00 -2.06 0.00 0.00 59.70 57.33 1h6k h MET 98 Cb 0.93 -0.04 0.03 0.00 0.06 0.00 0.00 31.60 32.57 1h6k h MET 98 CO 0.09 0.46 -1.27 0.00 1.06 0.00 0.00 176.91 177.24 1h6k h ARG 99 N 0.32 0.58 0.00 1.72 3.08 -0.88 -3.39 114.38 115.81 1h6k h ARG 99 Ca 0.07 -0.80 0.00 0.00 0.07 0.00 0.00 59.98 59.31 1h6k h ARG 99 Cb 0.39 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1h6k h ARG 99 CO 0.02 1.37 -0.92 0.66 -1.07 0.00 0.00 179.97 180.03 1h6k n TYR 100 N -3.76 0.00 -0.09 3.04 4.01 -0.01 -4.81 117.16 115.55 1h6k n TYR 100 Ca -0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.39 1h6k n TYR 100 Cb 1.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.91 1h6k n TYR 100 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1h6k h ILE 101 N 0.00 0.90 -1.45 -0.72 1.08 -1.17 -3.44 117.51 112.72 1h6k h ILE 101 Ca 0.00 -2.20 -0.71 0.00 -0.39 0.00 0.00 64.86 61.56 1h6k h ILE 101 Cb 0.56 2.27 0.06 0.00 -3.07 0.00 0.00 36.82 36.65 1h6k h ILE 101 CO 0.00 0.38 0.27 -3.20 -0.69 0.00 0.00 178.15 174.90 1h6k n ASN 102 N -4.34 0.95 0.00 1.72 5.15 -0.36 -1.52 115.26 116.85 1h6k n ASN 102 Ca -0.32 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 1h6k n ASN 102 Cb 0.72 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 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 2.09 0.50 3.21 8.20 0.00 0.32 -4.89 105.19 114.62 1h6k n GLY 103 Ca 0.19 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.97 0.00 -3.95 2.61 -2.24 -0.58 -4.84 114.28 102.31 1h6k n THR 104 Ca 0.00 -2.05 -0.31 0.00 -2.27 0.00 0.00 64.05 59.42 1h6k n THR 104 Cb 0.00 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 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 -3.68 3.31 -0.11 -0.78 0.52 -1.26 -1.19 118.95 115.77 1h6k s ARG 105 Ca 0.06 -0.50 -0.05 0.00 -0.52 0.00 0.00 55.73 54.72 1h6k s ARG 105 Cb -0.00 -2.97 0.05 0.00 0.52 0.00 0.00 34.95 32.55 1h6k s ARG 105 CO 0.04 0.60 0.24 -1.17 0.02 0.00 0.00 175.30 175.02 1h6k s LEU 106 N -2.47 0.25 -1.55 2.53 2.96 -0.37 -4.80 118.68 115.23 1h6k s LEU 106 Ca 0.34 0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 54.61 1h6k s LEU 106 Cb -0.13 0.67 0.10 0.00 0.50 0.00 0.00 46.19 47.34 1h6k s LEU 106 CO 0.26 -0.19 0.88 -0.67 -1.32 0.00 0.00 176.35 175.32 1h6k n ASP 107 N 4.54 -4.40 -0.19 3.68 2.03 -1.26 -1.17 116.55 119.78 1h6k n ASP 107 Ca -0.20 -0.78 -0.02 0.00 0.52 0.00 0.00 54.79 54.30 1h6k n ASP 107 Cb 0.52 -3.54 -0.01 0.00 -0.72 0.00 0.00 41.12 37.37 1h6k n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1h6k n ASP 108 N -2.72 -5.68 -4.69 1.67 2.03 -1.26 -4.91 116.55 100.98 1h6k n ASP 108 Ca 0.04 0.06 -0.35 0.00 0.52 0.00 0.00 54.79 55.07 1h6k n ASP 108 Cb 0.52 -3.40 -0.09 0.00 -0.72 0.00 0.00 41.12 37.43 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 -2.05 2.98 -0.34 -0.67 0.52 -0.32 -5.01 118.95 114.06 1h6k s ARG 109 Ca 0.00 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 1h6k s ARG 109 Cb 0.00 -2.79 -0.00 0.00 0.52 0.00 0.00 34.95 32.67 1h6k s ARG 109 CO 0.00 0.70 1.51 0.42 0.02 0.00 0.00 175.30 177.95 1h6k s ILE 110 N -0.91 3.81 0.36 1.52 1.01 -1.26 -1.23 121.20 124.51 1h6k s ILE 110 Ca 0.14 0.86 -0.03 0.00 0.00 0.00 0.00 60.65 61.62 1h6k s ILE 110 Cb -0.11 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1h6k s ILE 110 CO 0.03 -0.55 0.62 0.27 0.00 0.00 0.00 174.94 175.31 1h6k s ILE 111 N 5.52 5.01 0.06 2.92 -4.36 -0.33 -4.84 121.20 125.18 1h6k s ILE 111 Ca 0.66 -0.06 0.06 0.00 -0.26 0.00 0.00 60.65 61.05 1h6k s ILE 111 Cb -0.18 -3.81 -0.03 0.00 1.25 0.00 0.00 42.46 39.69 1h6k s ILE 111 CO 0.31 -0.55 -0.17 -0.13 0.24 0.00 0.00 174.94 174.63 1h6k s ARG 112 N -4.14 1.07 0.25 0.37 1.81 -0.48 -0.52 118.95 117.32 1h6k s ARG 112 Ca 0.44 -0.94 0.06 0.00 -1.72 0.00 0.00 55.73 53.57 1h6k s ARG 112 Cb -0.10 -1.17 -0.05 0.00 -0.45 0.00 0.00 34.95 33.17 1h6k s ARG 112 CO 0.36 0.28 -0.06 0.95 -0.68 0.00 0.00 175.30 176.16 1h6k s THR 113 N -0.99 1.49 -0.12 0.02 -4.23 -1.26 0.29 115.64 110.83 1h6k s THR 113 Ca 0.04 -2.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.14 1h6k s THR 113 Cb -0.09 -2.36 0.09 0.00 1.34 0.00 0.00 72.50 71.48 1h6k s THR 113 CO 0.02 -0.36 0.78 -0.62 -0.54 0.00 0.00 174.62 173.90 1h6k s ASP 114 N -3.38 -0.60 0.16 3.99 2.15 -0.84 -4.96 116.67 113.19 1h6k s ASP 114 Ca 0.28 0.78 -0.32 0.00 0.43 0.00 0.00 52.55 53.73 1h6k s ASP 114 Cb 0.04 0.67 -0.10 0.00 -0.30 0.00 0.00 42.92 43.22 1h6k s ASP 114 CO 0.10 -0.47 1.57 0.26 -0.17 0.00 0.00 175.17 176.46 1h6k s TRP 115 N -0.82 3.06 -1.26 -5.34 0.52 -1.26 -0.25 118.94 113.58 1h6k s TRP 115 Ca -0.06 0.63 -0.12 0.00 0.02 0.00 0.00 56.10 56.56 1h6k s TRP 115 Cb -0.01 -3.92 0.15 0.00 -1.15 0.00 0.00 33.47 28.54 1h6k s TRP 115 CO 0.06 -3.40 1.68 -3.47 0.02 0.00 0.00 176.95 171.83 1h6k n ASP 116 N 4.00 5.06 -0.16 2.95 -0.08 -0.07 -4.76 116.55 123.49 1h6k n ASP 116 Ca 0.14 -3.01 0.15 0.00 -1.51 0.00 0.00 54.79 50.56 1h6k n ASP 116 Cb 0.39 -1.56 0.81 0.00 2.34 0.00 0.00 41.12 43.09 1h6k n ASP 116 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32