#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi9 s ARG 19 N 0.00 4.40 0.00 1.61 0.52 -1.26 -4.79 118.95 119.43 3hi9 s ARG 19 Ca 0.00 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 3hi9 s ARG 19 Cb 0.00 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.55 3hi9 s ARG 19 CO 0.00 0.00 0.00 0.25 0.02 0.00 0.00 175.30 175.57 3hi9 n THR 20 N 0.64 0.00 -3.54 0.02 -2.24 -1.26 -4.52 114.28 103.38 3hi9 n THR 20 Ca 0.01 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 3hi9 n THR 20 Cb 0.46 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 3hi9 n THR 20 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hi9 s ASN 21 N -1.15 6.36 -0.01 3.42 2.47 -1.26 -1.01 114.94 123.76 3hi9 s ASN 21 Ca 0.00 0.41 0.06 0.00 0.42 0.00 0.00 52.86 53.75 3hi9 s ASN 21 Cb 0.00 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.60 3hi9 s ASN 21 CO 0.00 0.06 -0.19 -0.76 -3.72 0.00 0.00 177.10 172.49 3hi9 s LEU 22 N 0.76 2.51 -0.09 3.21 1.43 0.11 -1.09 118.68 125.53 3hi9 s LEU 22 Ca 0.15 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 3hi9 s LEU 22 Cb -0.13 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 3hi9 s LEU 22 CO 0.04 0.31 0.31 -0.51 0.23 0.00 0.00 176.35 176.73 3hi9 s ILE 23 N -0.77 5.24 -0.21 -0.59 2.07 0.84 -1.24 121.20 126.53 3hi9 s ILE 23 Ca 0.12 0.61 0.02 0.00 -1.41 0.00 0.00 60.65 59.99 3hi9 s ILE 23 Cb -0.10 -3.62 0.04 0.00 0.13 0.00 0.00 42.46 38.90 3hi9 s ILE 23 CO 0.02 0.51 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.72 3hi9 s VAL 24 N -0.42 1.97 0.20 4.00 1.01 0.13 -1.86 120.40 125.43 3hi9 s VAL 24 Ca 0.19 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 61.03 3hi9 s VAL 24 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3hi9 s VAL 24 CO 0.08 0.23 0.13 0.20 0.00 0.00 0.00 175.10 175.73 3hi9 s ASN 25 N 1.25 5.35 -0.62 3.32 0.01 0.89 -0.69 114.94 124.45 3hi9 s ASN 25 Ca -0.02 -0.24 -0.02 0.00 -0.71 0.00 0.00 52.86 51.87 3hi9 s ASN 25 Cb -0.16 -1.33 0.00 0.00 0.41 0.00 0.00 41.25 40.17 3hi9 s ASN 25 CO -0.09 0.04 0.53 -1.22 -1.51 0.00 0.00 177.10 174.85 3hi9 n TYR 26 N -0.59 -1.24 -2.91 2.20 4.01 -0.71 -1.23 117.16 116.70 3hi9 n TYR 26 Ca -0.08 0.47 -0.33 0.00 -0.16 0.00 0.00 57.90 57.80 3hi9 n TYR 26 Cb 0.56 -3.22 -0.07 0.00 -0.31 0.00 0.00 39.34 36.30 3hi9 n TYR 26 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hi9 s LEU 27 N -4.08 4.01 0.53 7.72 1.43 -0.48 -4.40 118.68 123.39 3hi9 s LEU 27 Ca 0.15 1.58 -0.21 0.00 -1.03 0.00 0.00 54.13 54.62 3hi9 s LEU 27 Cb -0.06 -4.36 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 3hi9 s LEU 27 CO 0.35 -0.29 1.21 -2.84 0.23 0.00 0.00 176.35 175.01 3hi9 s PRO 28 N -3.03 3.36 0.46 1.29 0.02 -1.26 -4.65 135.00 131.19 3hi9 s PRO 28 Ca 0.59 1.86 0.19 0.00 0.02 0.00 0.00 61.00 63.66 3hi9 s PRO 28 Cb -0.10 -2.19 1.12 0.00 0.02 0.00 0.00 34.50 33.35 3hi9 s PRO 28 CO 0.15 -0.90 1.99 0.37 -0.33 0.00 0.00 177.00 178.27 3hi9 h GLN 29 N 1.49 0.00 -0.19 5.54 5.75 -1.96 -1.79 115.11 123.95 3hi9 h GLN 29 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3hi9 h GLN 29 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 3hi9 h GLN 29 CO 0.58 0.20 0.00 0.27 -2.65 0.00 0.00 178.83 177.22 3hi9 n ASN 30 N -3.99 1.88 -4.72 -0.69 6.94 -1.26 -4.87 115.26 108.56 3hi9 n ASN 30 Ca -0.02 -1.74 -0.42 0.00 -0.02 0.00 0.00 54.58 52.38 3hi9 n ASN 30 Cb 0.28 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.55 3hi9 n ASN 30 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 3hi9 s MET 31 N -1.77 4.41 0.61 -3.83 1.75 -0.68 -5.02 119.30 114.77 3hi9 s MET 31 Ca 0.33 1.87 -0.07 0.00 -1.25 0.00 0.00 55.69 56.56 3hi9 s MET 31 Cb 0.18 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 34.55 3hi9 s MET 31 CO 0.27 -0.29 0.94 0.95 -0.65 0.00 0.00 175.02 176.25 3hi9 s THR 32 N 0.93 3.79 0.33 10.11 -4.23 -1.26 -4.96 115.64 120.34 3hi9 s THR 32 Ca 0.60 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 61.32 3hi9 s THR 32 Cb -0.32 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.16 3hi9 s THR 32 CO 0.30 -0.58 1.87 -0.61 -0.54 0.00 0.00 174.62 175.06 3hi9 h GLN 33 N -0.26 0.58 -0.29 3.99 -0.00 -1.96 -2.17 115.11 115.00 3hi9 h GLN 33 Ca -0.45 -0.12 -0.11 0.00 -0.00 0.00 0.00 58.65 57.97 3hi9 h GLN 33 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.63 3hi9 h GLN 33 CO 0.62 0.58 -0.28 0.22 0.00 0.00 0.00 178.83 179.97 3hi9 h ASP 34 N 0.55 0.59 -0.47 -0.69 3.58 -1.95 -0.68 116.42 117.35 3hi9 h ASP 34 Ca 0.12 -0.22 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 3hi9 h ASP 34 Cb 0.32 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3hi9 h ASP 34 CO 0.01 0.84 0.02 -0.33 -2.88 0.00 0.00 179.24 176.90 3hi9 h GLU 35 N 0.50 0.82 -0.01 0.28 5.08 -1.89 0.11 114.58 119.47 3hi9 h GLU 35 Ca 0.07 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3hi9 h GLU 35 Cb 0.74 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3hi9 h GLU 35 CO 0.06 0.86 -0.06 1.25 -1.00 0.00 0.00 179.01 180.11 3hi9 h LEU 36 N 0.67 -0.18 -0.87 1.33 5.85 -1.07 -1.64 115.31 119.40 3hi9 h LEU 36 Ca 0.13 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hi9 h LEU 36 Cb 0.48 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3hi9 h LEU 36 CO 0.02 -0.09 0.46 -0.09 -0.34 0.00 0.00 178.44 178.40 3hi9 h ARG 37 N -0.11 1.22 0.10 1.25 2.43 -0.92 -2.78 114.38 115.58 3hi9 h ARG 37 Ca 0.03 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3hi9 h ARG 37 Cb 0.14 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3hi9 h ARG 37 CO -0.07 0.91 -0.05 0.77 -1.51 0.00 0.00 179.97 180.02 3hi9 h SER 38 N 1.22 -0.11 -0.49 -3.80 0.02 -0.63 0.82 113.55 110.57 3hi9 h SER 38 Ca 0.30 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 3hi9 h SER 38 Cb 0.05 0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.52 3hi9 h SER 38 CO -0.05 -0.08 -0.22 0.25 -1.14 0.00 0.00 176.83 175.60 3hi9 h LEU 39 N -0.13 -0.75 0.00 5.07 5.85 -1.04 -1.17 115.31 123.13 3hi9 h LEU 39 Ca -0.01 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hi9 h LEU 39 Cb 0.10 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hi9 h LEU 39 CO 0.02 -0.24 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.62 3hi9 h PHE 40 N -0.11 0.00 0.00 1.25 -1.00 -1.41 -2.90 116.94 112.77 3hi9 h PHE 40 Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 3hi9 h PHE 40 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 3hi9 h PHE 40 CO -0.49 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 176.64 3hi9 n SER 41 N -2.88 0.37 0.06 2.17 7.64 0.27 -2.77 113.62 118.48 3hi9 n SER 41 Ca 0.04 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.57 3hi9 n SER 41 Cb 0.50 -0.65 0.38 0.00 -1.01 0.00 0.00 64.21 63.43 3hi9 n SER 41 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hi9 n SER 42 N -1.88 0.31 -0.10 6.43 3.41 -0.98 -3.04 113.62 117.78 3hi9 n SER 42 Ca 0.04 0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 59.12 3hi9 n SER 42 Cb 0.29 -0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 63.44 3hi9 n SER 42 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hi9 n ILE 43 N -1.86 1.44 -1.25 -1.33 2.08 -1.11 -5.09 119.36 112.24 3hi9 n ILE 43 Ca 0.02 -0.77 0.00 0.00 0.56 0.00 0.00 62.75 62.57 3hi9 n ILE 43 Cb 0.17 -0.81 0.00 0.00 -0.75 0.00 0.00 39.64 38.25 3hi9 n ILE 43 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hi9 n GLY 44 N 1.90 -1.82 3.67 7.39 0.00 -1.17 -4.93 105.19 110.23 3hi9 n GLY 44 Ca -0.36 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3hi9 n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hi9 s GLU 45 N -1.67 4.22 -0.20 1.61 2.12 -1.26 -4.33 118.70 119.20 3hi9 s GLU 45 Ca 0.00 1.97 -0.13 0.00 0.36 0.00 0.00 54.97 57.17 3hi9 s GLU 45 Cb 0.00 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 3hi9 s GLU 45 CO 0.00 -0.74 0.26 0.08 -0.54 0.00 0.00 175.26 174.32 3hi9 s VAL 46 N 3.48 5.31 -0.08 3.70 1.01 -1.26 -1.59 120.40 130.97 3hi9 s VAL 46 Ca 0.65 0.44 0.14 0.00 0.00 0.00 0.00 61.98 63.21 3hi9 s VAL 46 Cb -0.29 -3.60 -0.23 0.00 0.00 0.00 0.00 36.38 32.26 3hi9 s VAL 46 CO 0.24 0.35 0.55 -1.84 0.00 0.00 0.00 175.10 174.40 3hi9 n GLU 47 N 3.96 0.64 -3.84 2.72 -0.00 0.13 -4.88 120.64 119.38 3hi9 n GLU 47 Ca -0.12 0.23 -0.12 0.00 -0.00 0.00 0.00 57.16 57.15 3hi9 n GLU 47 Cb 0.52 -1.74 -0.09 0.00 -0.00 0.00 0.00 31.44 30.13 3hi9 n GLU 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3hi9 s SER 48 N -5.94 -0.03 -0.19 -1.84 1.04 -0.96 -4.99 113.70 100.80 3hi9 s SER 48 Ca -0.06 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.16 3hi9 s SER 48 Cb 0.08 0.24 0.09 0.00 0.10 0.00 0.00 66.02 66.53 3hi9 s SER 48 CO 0.83 -0.41 0.39 0.00 0.98 0.00 0.00 173.24 175.02 3hi9 s ALA 49 N -1.50 -1.04 -0.06 5.32 0.00 -1.26 -0.56 121.76 122.66 3hi9 s ALA 49 Ca -0.14 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.20 3hi9 s ALA 49 Cb -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3hi9 s ALA 49 CO 0.02 -0.78 -0.16 0.15 0.00 0.00 0.00 175.76 174.98 3hi9 s LYS 50 N 2.57 1.96 -0.26 0.00 1.02 -0.33 -4.94 119.74 119.75 3hi9 s LYS 50 Ca 0.00 -0.57 -0.10 0.00 0.02 0.00 0.00 55.97 55.32 3hi9 s LYS 50 Cb -0.12 -1.61 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 3hi9 s LYS 50 CO -0.12 0.14 0.16 -1.17 -0.92 0.00 0.00 175.35 173.44 3hi9 s LEU 51 N 0.37 3.96 -0.22 3.17 2.96 -1.26 -1.15 118.68 126.50 3hi9 s LEU 51 Ca -0.11 -0.00 -0.29 0.00 -0.22 0.00 0.00 54.13 53.51 3hi9 s LEU 51 Cb -0.14 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 3hi9 s LEU 51 CO 0.04 -0.01 1.20 -0.63 -1.32 0.00 0.00 176.35 175.63 3hi9 s ILE 52 N 1.51 4.37 0.04 6.68 -1.09 -0.17 -4.96 121.20 127.57 3hi9 s ILE 52 Ca 0.07 1.63 0.06 0.00 -2.23 0.00 0.00 60.65 60.18 3hi9 s ILE 52 Cb -0.15 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 3hi9 s ILE 52 CO 0.08 -0.25 -0.16 -0.60 -1.23 0.00 0.00 174.94 172.78 3hi9 s ARG 53 N 3.59 2.15 -0.23 2.79 3.52 -1.26 -0.09 118.95 129.42 3hi9 s ARG 53 Ca 0.52 -0.94 -0.21 0.00 -0.13 0.00 0.00 55.73 54.96 3hi9 s ARG 53 Cb -0.18 -2.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 3hi9 s ARG 53 CO 0.14 0.55 0.64 0.45 -0.81 0.00 0.00 175.30 176.27 3hi9 s SER 60 N -1.50 6.64 -0.00 -2.12 0.15 -1.26 -5.04 113.70 110.56 3hi9 s SER 60 Ca 0.16 0.78 0.17 0.00 0.70 0.00 0.00 55.95 57.75 3hi9 s SER 60 Cb -0.11 -2.35 0.49 0.00 -1.71 0.00 0.00 66.02 62.35 3hi9 s SER 60 CO 0.06 -0.33 1.41 0.18 1.20 0.00 0.00 173.24 175.76 3hi9 n LEU 61 N 5.42 2.99 -0.02 3.45 4.77 0.88 -4.95 117.00 129.53 3hi9 n LEU 61 Ca -0.01 -1.49 -0.00 0.00 -0.03 0.00 0.00 56.01 54.48 3hi9 n LEU 61 Cb 0.49 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3hi9 n LEU 61 CO 0.44 0.74 -0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3hi9 n GLY 62 N 1.37 0.45 3.24 -0.72 0.00 -1.26 -4.99 105.19 103.27 3hi9 n GLY 62 Ca 0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 3hi9 n GLY 62 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hi9 s TYR 63 N -2.00 0.04 0.29 1.61 1.13 -1.26 -1.38 117.35 115.77 3hi9 s TYR 63 Ca 0.00 -0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 55.16 3hi9 s TYR 63 Cb 0.00 0.04 -0.00 0.00 -1.10 0.00 0.00 41.96 40.90 3hi9 s TYR 63 CO 0.00 -0.58 0.47 0.20 -2.51 0.00 0.00 175.55 173.13 3hi9 s GLY 64 N -2.78 0.96 -0.03 5.49 0.00 0.13 -1.00 107.32 110.09 3hi9 s GLY 64 Ca 0.04 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.62 3hi9 s GLY 64 CO -0.11 -0.81 -0.14 -1.36 0.00 0.00 0.00 173.10 170.68 3hi9 s PHE 65 N -3.53 1.40 -0.10 1.90 0.08 -0.30 -0.70 117.98 116.74 3hi9 s PHE 65 Ca 0.26 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 3hi9 s PHE 65 Cb -0.00 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 3hi9 s PHE 65 CO 0.14 -0.10 -0.04 0.08 -0.10 0.00 0.00 175.22 175.20 3hi9 s VAL 66 N -0.06 0.75 -0.24 -0.44 1.01 -0.37 -1.19 120.40 119.85 3hi9 s VAL 66 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3hi9 s VAL 66 Cb -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3hi9 s VAL 66 CO 0.01 0.31 0.05 0.21 0.00 0.00 0.00 175.10 175.67 3hi9 s ASN 67 N 1.82 4.99 0.53 3.32 2.47 0.27 0.06 114.94 128.39 3hi9 s ASN 67 Ca 0.05 -0.23 -0.07 0.00 0.42 0.00 0.00 52.86 53.03 3hi9 s ASN 67 Cb -0.13 -1.89 -0.03 0.00 -1.45 0.00 0.00 41.25 37.75 3hi9 s ASN 67 CO -0.07 -0.03 0.86 -0.31 -3.72 0.00 0.00 177.10 173.83 3hi9 s TYR 68 N 1.55 3.54 0.09 0.43 1.51 -0.18 0.22 117.35 124.51 3hi9 s TYR 68 Ca 0.06 0.90 -0.13 0.00 -1.01 0.00 0.00 57.07 56.89 3hi9 s TYR 68 Cb -0.15 -2.45 -0.18 0.00 -0.11 0.00 0.00 41.96 39.07 3hi9 s TYR 68 CO 0.02 -0.44 1.27 0.28 -1.11 0.00 0.00 175.55 175.57 3hi9 h VAL 69 N 0.05 1.28 -3.85 0.71 2.07 -1.63 -3.42 116.25 111.46 3hi9 h VAL 69 Ca -0.46 -2.07 -0.68 0.00 0.82 0.00 0.00 66.70 64.31 3hi9 h VAL 69 Cb 1.21 2.12 -0.21 0.00 -1.52 0.00 0.00 31.29 32.89 3hi9 h VAL 69 CO 0.62 0.65 -0.83 0.42 0.02 0.00 0.00 177.57 178.44 3hi9 s THR 70 N -3.60 2.56 0.24 2.57 -4.23 -1.26 -5.04 115.64 106.88 3hi9 s THR 70 Ca -0.10 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 3hi9 s THR 70 Cb 0.08 -2.15 0.16 0.00 1.34 0.00 0.00 72.50 71.93 3hi9 s THR 70 CO 0.91 0.12 1.80 0.00 -0.54 0.00 0.00 174.62 176.91 3hi9 h ALA 71 N 3.90 1.11 -0.33 3.99 0.00 -1.87 -2.82 119.26 123.24 3hi9 h ALA 71 Ca -0.50 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.25 3hi9 h ALA 71 Cb 1.17 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3hi9 h ALA 71 CO 0.43 0.62 0.10 0.87 0.00 0.00 0.00 179.25 181.28 3hi9 h LYS 72 N 1.03 0.23 -0.71 0.00 1.57 -1.96 -1.39 116.57 115.34 3hi9 h LYS 72 Ca 0.23 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3hi9 h LYS 72 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3hi9 h LYS 72 CO -0.01 0.15 0.35 -0.44 -0.57 0.00 0.00 179.45 178.92 3hi9 h ASP 73 N 0.24 0.93 -0.53 0.86 3.32 -1.90 -0.30 116.42 119.04 3hi9 h ASP 73 Ca 0.15 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3hi9 h ASP 73 Cb 0.13 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 3hi9 h ASP 73 CO -0.16 0.80 0.26 0.00 -1.72 0.00 0.00 179.24 178.41 3hi9 h ALA 74 N 1.17 0.68 -0.65 3.45 0.00 -1.23 0.19 119.26 122.87 3hi9 h ALA 74 Ca 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hi9 h ALA 74 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hi9 h ALA 74 CO -0.03 -0.10 0.36 1.49 0.00 0.00 0.00 179.25 180.97 3hi9 h GLU 75 N 0.49 0.91 -0.52 0.00 4.81 -0.89 -2.24 114.58 117.14 3hi9 h GLU 75 Ca 0.24 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3hi9 h GLU 75 Cb 0.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3hi9 h GLU 75 CO -0.18 0.69 0.08 -0.09 -0.73 0.00 0.00 179.01 178.77 3hi9 h ARG 76 N 0.89 0.82 -0.34 1.92 2.43 -0.56 -2.45 114.38 117.09 3hi9 h ARG 76 Ca 0.23 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hi9 h ARG 76 Cb 0.04 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3hi9 h ARG 76 CO -0.04 0.77 0.18 0.00 -1.51 0.00 0.00 179.97 179.38 3hi9 h ALA 77 N 1.30 0.44 -0.20 2.80 0.00 -0.71 -0.02 119.26 122.87 3hi9 h ALA 77 Ca 0.16 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hi9 h ALA 77 Cb 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3hi9 h ALA 77 CO 0.01 -0.03 -0.15 0.82 0.00 0.00 0.00 179.25 179.89 3hi9 h ILE 78 N 0.43 0.58 0.00 0.00 2.04 -1.26 0.51 117.51 119.80 3hi9 h ILE 78 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3hi9 h ILE 78 Cb 0.06 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3hi9 h ILE 78 CO -0.02 0.00 -0.05 0.78 0.00 0.00 0.00 178.15 178.86 3hi9 h ASN 79 N -0.16 0.00 0.02 1.72 -0.26 -1.14 -2.68 115.58 113.07 3hi9 h ASN 79 Ca 0.12 0.00 -0.39 0.00 -0.56 0.00 0.00 56.30 55.47 3hi9 h ASN 79 Cb 0.33 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.52 3hi9 h ASN 79 CO -0.29 0.05 -2.42 0.41 -1.06 0.00 0.00 177.43 174.12 3hi9 n THR 80 N -3.17 1.51 0.09 2.81 -1.04 -0.05 -4.71 114.28 109.71 3hi9 n THR 80 Ca 0.00 -0.61 0.08 0.00 -2.04 0.00 0.00 64.05 61.48 3hi9 n THR 80 Cb 0.33 -1.35 -0.12 0.00 -1.82 0.00 0.00 70.33 67.38 3hi9 n THR 80 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hi9 n LEU 81 N -3.22 0.10 -4.68 -4.42 4.77 0.17 -4.83 117.00 104.88 3hi9 n LEU 81 Ca -0.43 -0.07 -0.45 0.00 -0.03 0.00 0.00 56.01 55.03 3hi9 n LEU 81 Cb 1.01 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.07 3hi9 n LEU 81 CO 0.29 0.03 1.20 -3.20 -1.33 0.00 0.00 177.39 174.38 3hi9 n ASN 82 N -1.95 3.25 0.00 -1.43 5.15 -1.01 -2.30 115.26 116.97 3hi9 n ASN 82 Ca -0.02 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 3hi9 n ASN 82 Cb 0.39 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 3hi9 n ASN 82 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hi9 n GLY 83 N 3.24 0.98 3.69 8.20 0.00 -0.21 -4.97 105.19 116.12 3hi9 n GLY 83 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hi9 n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hi9 s LEU 84 N 0.00 4.37 -0.11 0.99 2.96 -0.97 -4.54 118.68 121.37 3hi9 s LEU 84 Ca 0.00 2.50 -0.29 0.00 -0.22 0.00 0.00 54.13 56.11 3hi9 s LEU 84 Cb 0.00 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 3hi9 s LEU 84 CO 0.00 -0.89 1.00 -0.60 -1.32 0.00 0.00 176.35 174.54 3hi9 s ARG 85 N 2.60 4.42 -0.28 1.98 3.52 -1.26 -0.93 118.95 128.99 3hi9 s ARG 85 Ca 0.74 1.37 0.03 0.00 -0.13 0.00 0.00 55.73 57.74 3hi9 s ARG 85 Cb -0.40 -3.54 0.08 0.00 -1.56 0.00 0.00 34.95 29.52 3hi9 s ARG 85 CO 0.32 -0.31 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.96 3hi9 s LEU 86 N 2.01 3.62 0.00 -0.88 1.43 0.83 -4.97 118.68 120.72 3hi9 s LEU 86 Ca 0.48 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 3hi9 s LEU 86 Cb -0.18 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3hi9 s LEU 86 CO 0.18 -0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.48 3hi9 n GLN 87 N 4.45 0.00 0.00 1.70 6.02 -1.26 -2.38 117.38 125.91 3hi9 n GLN 87 Ca -0.07 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.05 3hi9 n GLN 87 Cb 0.42 0.00 0.36 0.00 1.02 0.00 0.00 30.24 32.04 3hi9 n GLN 87 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hi9 n SER 88 N 8.76 2.05 -4.13 1.08 3.41 -1.26 -4.89 113.62 118.63 3hi9 n SER 88 Ca 0.00 -1.67 -0.19 0.00 -0.26 0.00 0.00 58.87 56.75 3hi9 n SER 88 Cb 0.00 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 3hi9 n SER 88 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hi9 s LYS 89 N -2.02 0.84 -0.28 4.33 1.02 -1.00 -5.11 119.74 117.51 3hi9 s LYS 89 Ca 0.34 -0.78 -0.21 0.00 0.02 0.00 0.00 55.97 55.33 3hi9 s LYS 89 Cb 0.21 -0.82 -0.01 0.00 -0.52 0.00 0.00 37.83 36.69 3hi9 s LYS 89 CO 0.33 0.19 0.68 0.99 -0.92 0.00 0.00 175.35 176.62 3hi9 s THR 90 N -0.98 4.92 0.52 2.17 2.01 -1.26 -0.12 115.64 122.90 3hi9 s THR 90 Ca -0.01 1.09 -0.18 0.00 0.31 0.00 0.00 61.69 62.91 3hi9 s THR 90 Cb -0.08 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 3hi9 s THR 90 CO 0.01 -0.09 1.02 0.27 -0.69 0.00 0.00 174.62 175.14 3hi9 s ILE 91 N 2.66 4.10 -0.13 1.82 -4.36 -0.11 -4.82 121.20 120.36 3hi9 s ILE 91 Ca 0.28 1.11 0.01 0.00 -0.26 0.00 0.00 60.65 61.79 3hi9 s ILE 91 Cb -0.15 -3.53 -0.01 0.00 1.25 0.00 0.00 42.46 40.03 3hi9 s ILE 91 CO 0.10 -0.47 -0.17 -0.75 0.24 0.00 0.00 174.94 173.89 3hi9 s LYS 92 N -3.75 3.24 -0.11 0.37 2.20 -0.36 -1.05 119.74 120.28 3hi9 s LYS 92 Ca 0.63 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 3hi9 s LYS 92 Cb -0.13 -2.55 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 3hi9 s LYS 92 CO 0.28 0.14 -0.16 0.08 -0.36 0.00 0.00 175.35 175.33 3hi9 s VAL 93 N 0.50 1.57 0.31 4.02 1.01 -1.26 -0.08 120.40 126.48 3hi9 s VAL 93 Ca -0.11 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 3hi9 s VAL 93 Cb -0.16 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3hi9 s VAL 93 CO 0.05 0.46 0.67 -0.94 0.00 0.00 0.00 175.10 175.33 3hi9 s SER 94 N 0.97 -0.04 0.29 3.32 1.04 -0.77 -4.73 113.70 113.78 3hi9 s SER 94 Ca -0.06 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.16 3hi9 s SER 94 Cb -0.15 0.73 -0.10 0.00 0.10 0.00 0.00 66.02 66.60 3hi9 s SER 94 CO -0.02 -1.41 1.43 -0.31 0.98 0.00 0.00 173.24 173.92 3hi9 s TYR 95 N -3.37 2.94 0.27 5.02 2.02 -1.26 -0.11 117.35 122.86 3hi9 s TYR 95 Ca 0.16 1.10 0.01 0.00 -0.37 0.00 0.00 57.07 57.97 3hi9 s TYR 95 Cb -0.04 -3.84 0.38 0.00 -0.40 0.00 0.00 41.96 38.06 3hi9 s TYR 95 CO 0.10 -2.63 1.73 0.00 -1.57 0.00 0.00 175.55 173.18 3hi9 h ALA 96 N 4.41 1.09 -3.35 3.71 0.00 -1.36 -3.39 119.26 120.37 3hi9 h ALA 96 Ca -0.47 -0.32 -0.65 0.00 0.00 0.00 0.00 54.91 53.47 3hi9 h ALA 96 Cb 1.22 -0.14 -0.19 0.00 0.00 0.00 0.00 17.79 18.68 3hi9 h ALA 96 CO 0.74 0.56 -0.65 1.03 0.00 0.00 0.00 179.25 180.93 3hi9 s ARG 97 N -4.65 3.41 0.00 0.00 1.81 -1.26 -4.88 118.95 113.38 3hi9 s ARG 97 Ca -0.08 -0.48 0.00 0.00 -1.72 0.00 0.00 55.73 53.46 3hi9 s ARG 97 Cb 0.14 -2.87 0.02 0.00 -0.45 0.00 0.00 34.95 31.79 3hi9 s ARG 97 CO 0.80 0.42 0.52 -0.35 -0.68 0.00 0.00 175.30 176.01