#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh2 n PHE 2 N 0.00 0.00 -4.24 2.11 3.72 -1.26 -5.00 117.46 112.80 3hh2 n PHE 2 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3hh2 n PHE 2 Cb 0.00 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.42 3hh2 n PHE 2 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hh2 s GLY 3 N -3.06 1.85 -0.13 1.37 0.00 -1.26 -4.96 107.32 101.12 3hh2 s GLY 3 Ca 0.08 -1.87 -0.06 0.00 0.00 0.00 0.00 44.72 42.87 3hh2 s GLY 3 CO 0.86 -1.43 0.07 1.08 0.00 0.00 0.00 173.10 173.68 3hh2 s LEU 4 N -3.26 3.91 -0.10 0.66 1.43 -1.26 -5.05 118.68 115.01 3hh2 s LEU 4 Ca 0.40 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 3hh2 s LEU 4 Cb 0.05 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3hh2 s LEU 4 CO 0.19 0.31 -0.04 -1.81 0.23 0.00 0.00 176.35 175.23 3hh2 s ASP 5 N -0.44 4.82 0.10 2.29 1.01 -1.26 -0.43 116.67 122.75 3hh2 s ASP 5 Ca 0.10 -0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.37 3hh2 s ASP 5 Cb -0.12 -1.41 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 3hh2 s ASP 5 CO 0.02 0.31 -0.08 0.00 0.21 0.00 0.00 175.17 175.63 3hh2 s ASP 7 N -2.70 3.98 0.65 0.00 3.84 -1.26 -4.18 116.67 117.00 3hh2 s ASP 7 Ca 0.08 -1.60 0.28 0.00 -0.00 0.00 0.00 52.55 51.31 3hh2 s ASP 7 Cb 0.01 0.33 1.50 0.00 -1.38 0.00 0.00 42.92 43.38 3hh2 s ASP 7 CO -0.02 -0.78 1.84 1.05 -0.00 0.00 0.00 175.17 177.27 3hh2 h GLU 8 N 1.47 0.00 -0.70 2.11 9.09 -1.99 0.92 114.58 125.47 3hh2 h GLU 8 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 3hh2 h GLU 8 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 3hh2 h GLU 8 CO 0.75 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.53 3hh2 n HIS 9 N -2.82 1.24 -2.67 2.06 8.25 -1.26 -4.94 115.22 115.07 3hh2 n HIS 9 Ca -0.02 -0.54 -0.33 0.00 -0.26 0.00 0.00 57.72 56.57 3hh2 n HIS 9 Cb 0.41 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.35 3hh2 n HIS 9 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hh2 s SER 10 N -0.95 6.73 -0.32 0.41 0.01 0.31 -4.96 113.70 114.94 3hh2 s SER 10 Ca 0.50 1.72 0.07 0.00 1.31 0.00 0.00 55.95 59.56 3hh2 s SER 10 Cb 0.29 -2.54 0.47 0.00 0.21 0.00 0.00 66.02 64.46 3hh2 s SER 10 CO 0.29 -0.51 1.40 0.35 0.41 0.00 0.00 173.24 175.19 3hh2 n THR 11 N -0.91 2.61 -2.67 1.44 -2.24 -1.26 -4.98 114.28 106.26 3hh2 n THR 11 Ca 0.07 -3.30 -0.43 0.00 -2.27 0.00 0.00 64.05 58.12 3hh2 n THR 11 Cb 0.54 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 3hh2 n THR 11 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hh2 s GLU 12 N -3.42 4.14 0.17 -0.78 2.56 -1.26 -4.92 118.70 115.19 3hh2 s GLU 12 Ca 0.48 1.16 0.11 0.00 0.00 0.00 0.00 54.97 56.72 3hh2 s GLU 12 Cb 0.41 -3.69 -0.10 0.00 2.00 0.00 0.00 34.13 32.75 3hh2 s GLU 12 CO -0.00 -0.77 1.28 0.66 -0.56 0.00 0.00 175.26 175.87 3hh2 h SER 13 N 7.82 0.00 -4.39 -1.70 4.64 -1.97 -3.48 113.55 114.48 3hh2 h SER 13 Ca -0.20 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.62 3hh2 h SER 13 Cb 1.06 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.24 3hh2 h SER 13 CO 1.00 0.79 0.39 -0.13 -0.87 0.00 0.00 176.83 178.00 3hh2 s ARG 14 N -2.81 2.77 -0.17 4.77 0.52 -1.26 -0.60 118.95 122.16 3hh2 s ARG 14 Ca 0.02 0.62 -0.38 0.00 -0.52 0.00 0.00 55.73 55.47 3hh2 s ARG 14 Cb 0.09 -2.00 -0.15 0.00 0.52 0.00 0.00 34.95 33.41 3hh2 s ARG 14 CO 0.79 -1.13 1.72 0.00 0.02 0.00 0.00 175.30 176.70 3hh2 s ARG 17 N -2.66 4.23 0.22 0.00 3.52 0.43 -1.70 118.95 122.99 3hh2 s ARG 17 Ca -0.04 0.01 0.11 0.00 -0.13 0.00 0.00 55.73 55.67 3hh2 s ARG 17 Cb -0.01 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3hh2 s ARG 17 CO -0.05 0.23 -0.20 0.71 -0.81 0.00 0.00 175.30 175.18 3hh2 s TYR 18 N 0.51 2.35 0.44 5.12 2.02 0.48 0.14 117.35 128.42 3hh2 s TYR 18 Ca 0.14 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.30 3hh2 s TYR 18 Cb -0.13 -1.11 -0.10 0.00 -0.40 0.00 0.00 41.96 40.22 3hh2 s TYR 18 CO 0.03 0.57 0.97 -1.25 -1.57 0.00 0.00 175.55 174.30 3hh2 s PRO 19 N -2.99 4.14 -0.28 -1.71 0.04 -1.26 -0.70 135.00 132.25 3hh2 s PRO 19 Ca 0.24 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 3hh2 s PRO 19 Cb -0.07 -2.18 0.10 0.00 0.04 0.00 0.00 34.50 32.39 3hh2 s PRO 19 CO 0.12 -0.11 0.78 -1.17 0.04 0.00 0.00 177.00 176.66 3hh2 s LEU 20 N -3.21 -0.82 -0.16 -3.56 2.96 -1.26 -4.70 118.68 107.92 3hh2 s LEU 20 Ca 0.63 1.30 -0.08 0.00 -0.22 0.00 0.00 54.13 55.75 3hh2 s LEU 20 Cb -0.11 2.17 -0.04 0.00 0.50 0.00 0.00 46.19 48.71 3hh2 s LEU 20 CO 0.15 -0.20 0.11 -0.89 -1.32 0.00 0.00 176.35 174.19 3hh2 s THR 21 N 1.65 5.21 -0.15 3.68 2.01 -1.26 -0.43 115.64 126.34 3hh2 s THR 21 Ca -0.09 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 3hh2 s THR 21 Cb -0.05 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3hh2 s THR 21 CO -0.18 0.51 0.05 -0.69 -0.69 0.00 0.00 174.62 173.62 3hh2 s VAL 22 N -0.16 4.73 -0.28 3.82 1.01 0.05 -4.90 120.40 124.66 3hh2 s VAL 22 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3hh2 s VAL 22 Cb -0.12 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3hh2 s VAL 22 CO 0.01 0.51 -0.00 -0.62 0.00 0.00 0.00 175.10 175.00 3hh2 s ASP 23 N -0.06 4.71 0.27 3.32 -1.08 -1.26 -1.76 116.67 120.80 3hh2 s ASP 23 Ca 0.06 -0.94 0.05 0.00 -0.52 0.00 0.00 52.55 51.20 3hh2 s ASP 23 Cb -0.12 -1.74 0.38 0.00 -1.46 0.00 0.00 42.92 39.98 3hh2 s ASP 23 CO 0.01 -0.19 1.66 -0.26 0.52 0.00 0.00 175.17 176.91 3hh2 h PHE 24 N 8.08 0.33 -0.12 -5.34 -1.00 -1.35 -2.29 116.94 115.24 3hh2 h PHE 24 Ca -0.29 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.39 3hh2 h PHE 24 Cb 1.10 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 3hh2 h PHE 24 CO 0.60 0.68 0.06 0.93 -1.61 0.00 0.00 178.31 178.97 3hh2 h GLU 25 N 0.22 0.16 -0.49 1.51 5.08 -1.84 0.21 114.58 119.43 3hh2 h GLU 25 Ca 0.02 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3hh2 h GLU 25 Cb 0.89 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3hh2 h GLU 25 CO 0.07 0.19 0.33 0.00 -1.00 0.00 0.00 179.01 178.61 3hh2 h ALA 26 N 0.96 2.09 0.00 3.43 0.00 -1.86 0.39 119.26 124.26 3hh2 h ALA 26 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hh2 h ALA 26 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hh2 h ALA 26 CO -0.01 -0.20 -0.02 0.74 0.00 0.00 0.00 179.25 179.76 3hh2 h PHE 27 N 0.28 0.00 0.00 0.00 0.04 -0.82 -3.47 116.94 112.97 3hh2 h PHE 27 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3hh2 h PHE 27 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3hh2 h PHE 27 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3hh2 n GLY 28 N 1.13 0.49 3.34 -1.45 0.00 0.13 -4.96 105.19 103.87 3hh2 n GLY 28 Ca 0.04 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3hh2 n GLY 28 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hh2 n TRP 29 N -2.94 3.76 1.86 1.61 7.02 -0.39 -4.75 117.44 123.62 3hh2 n TRP 29 Ca 0.00 -2.50 0.15 0.00 -1.02 0.00 0.00 57.50 54.14 3hh2 n TRP 29 Cb 0.00 -2.52 0.83 0.00 -2.42 0.00 0.00 31.31 27.20 3hh2 n TRP 29 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3hh2 n ASP 30 N 8.96 0.41 -0.08 -0.99 8.00 -1.26 -2.69 116.55 128.90 3hh2 n ASP 30 Ca 0.49 -1.14 0.14 0.00 0.71 0.00 0.00 54.79 54.99 3hh2 n ASP 30 Cb 0.44 -0.00 0.60 0.00 -0.02 0.00 0.00 41.12 42.14 3hh2 n ASP 30 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3hh2 n TRP 31 N -0.68 0.00 -3.02 1.24 2.14 -1.26 -4.84 117.44 111.02 3hh2 n TRP 31 Ca 0.23 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.40 3hh2 n TRP 31 Cb 0.18 -0.23 -0.05 0.00 -0.81 0.00 0.00 31.31 30.40 3hh2 n TRP 31 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3hh2 s ILE 32 N -2.57 5.02 -0.21 -1.67 -1.09 -1.10 -0.70 121.20 118.88 3hh2 s ILE 32 Ca 0.26 1.46 -0.16 0.00 -2.23 0.00 0.00 60.65 59.98 3hh2 s ILE 32 Cb 0.20 -4.05 -0.18 0.00 -1.58 0.00 0.00 42.46 36.84 3hh2 s ILE 32 CO 0.50 0.20 0.07 -0.38 -1.23 0.00 0.00 174.94 174.10 3hh2 n ILE 33 N 4.00 1.57 -3.59 2.92 5.41 0.16 -4.97 119.36 124.86 3hh2 n ILE 33 Ca -0.00 -0.25 -0.16 0.00 1.00 0.00 0.00 62.75 63.33 3hh2 n ILE 33 Cb 0.51 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 37.46 3hh2 n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hh2 s ALA 34 N -2.44 -1.55 0.62 -1.39 0.00 -0.61 -4.56 121.76 111.83 3hh2 s ALA 34 Ca -0.31 1.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 3hh2 s ALA 34 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3hh2 s ALA 34 CO 0.60 -0.33 0.96 -1.25 0.00 0.00 0.00 175.76 175.74 3hh2 s PRO 35 N -0.86 3.00 0.19 0.00 0.04 -1.26 0.05 135.00 136.15 3hh2 s PRO 35 Ca -0.09 0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.21 3hh2 s PRO 35 Cb -0.02 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.42 3hh2 s PRO 35 CO 0.07 -0.76 1.44 0.87 0.04 0.00 0.00 177.00 178.66 3hh2 h LYS 36 N -0.31 0.16 -3.98 4.56 1.79 -1.94 -3.46 116.57 113.39 3hh2 h LYS 36 Ca -0.45 -0.15 -0.14 0.00 -2.18 0.00 0.00 60.65 57.72 3hh2 h LYS 36 Cb 1.25 0.04 -0.18 0.00 -1.58 0.00 0.00 32.23 31.76 3hh2 h LYS 36 CO 0.62 0.87 -0.63 1.03 -1.08 0.00 0.00 179.45 180.26 3hh2 s ARG 37 N -3.33 0.50 0.21 3.15 0.52 -1.26 -0.91 118.95 117.82 3hh2 s ARG 37 Ca -0.02 -0.83 -0.20 0.00 -0.52 0.00 0.00 55.73 54.16 3hh2 s ARG 37 Cb 0.11 0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.80 3hh2 s ARG 37 CO 0.81 -0.10 0.59 1.52 0.02 0.00 0.00 175.30 178.13 3hh2 s TYR 38 N -2.58 -0.24 -0.64 -0.53 1.13 -0.72 -4.98 117.35 108.78 3hh2 s TYR 38 Ca -0.05 -0.10 -0.22 0.00 -1.41 0.00 0.00 57.07 55.29 3hh2 s TYR 38 Cb -0.02 0.50 0.07 0.00 -1.10 0.00 0.00 41.96 41.42 3hh2 s TYR 38 CO -0.05 -0.97 0.92 0.15 -2.51 0.00 0.00 175.55 173.08 3hh2 s LYS 39 N -3.85 3.11 0.03 -3.49 1.02 -1.26 -0.77 119.74 114.51 3hh2 s LYS 39 Ca 0.08 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 55.20 3hh2 s LYS 39 Cb -0.02 -4.23 -0.25 0.00 -0.52 0.00 0.00 37.83 32.81 3hh2 s LYS 39 CO -0.03 -1.75 0.94 0.00 -0.92 0.00 0.00 175.35 173.58 3hh2 h ALA 40 N 9.49 0.38 -3.35 5.17 0.00 -1.02 -3.45 119.26 126.48 3hh2 h ALA 40 Ca -0.29 -1.12 0.38 0.00 0.00 0.00 0.00 54.91 53.88 3hh2 h ALA 40 Cb 1.07 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 3hh2 h ALA 40 CO 1.16 1.25 -0.78 0.09 0.00 0.00 0.00 179.25 180.97 3hh2 n ASN 41 N -3.35 -8.73 -3.65 0.00 5.03 -0.62 -1.83 115.26 102.11 3hh2 n ASN 41 Ca -0.12 0.88 -0.09 0.00 0.87 0.00 0.00 54.58 56.11 3hh2 n ASN 41 Cb 1.02 -4.62 -0.02 0.00 -1.02 0.00 0.00 39.78 35.14 3hh2 n ASN 41 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 3hh2 s TYR 42 N -2.92 -0.36 -0.12 3.10 -0.85 0.12 -4.67 117.35 111.66 3hh2 s TYR 42 Ca 0.00 0.02 -0.03 0.00 -0.52 0.00 0.00 57.07 56.53 3hh2 s TYR 42 Cb 0.00 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 3hh2 s TYR 42 CO 0.00 -1.04 0.01 0.00 -1.52 0.00 0.00 175.55 173.00 3hh2 s SER 44 N -0.43 -0.43 0.00 0.00 0.15 -0.69 -4.93 113.70 107.38 3hh2 s SER 44 Ca 0.08 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.50 3hh2 s SER 44 Cb -0.12 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 3hh2 s SER 44 CO 0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.86 3hh2 n GLY 45 N 2.57 2.36 3.83 9.45 0.00 -1.26 -1.07 105.19 121.07 3hh2 n GLY 45 Ca -0.14 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 3hh2 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hh2 s GLU 46 N -1.61 4.09 -0.32 1.61 8.01 0.23 -4.28 118.70 126.43 3hh2 s GLU 46 Ca 0.00 0.97 0.02 0.00 0.01 0.00 0.00 54.97 55.96 3hh2 s GLU 46 Cb 0.00 -2.22 0.10 0.00 -4.31 0.00 0.00 34.13 27.70 3hh2 s GLU 46 CO 0.00 -0.07 0.07 0.00 0.01 0.00 0.00 175.26 175.26 3hh2 s GLU 48 N 1.26 1.90 3.47 0.00 2.02 -1.26 -4.66 118.70 121.43 3hh2 s GLU 48 Ca 0.09 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.17 3hh2 s GLU 48 Cb -0.18 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.29 3hh2 s GLU 48 CO -0.16 0.12 0.00 0.34 0.02 0.00 0.00 175.26 175.58 3hh2 n PHE 49 N -0.86 0.00 -1.33 1.61 -0.00 -1.26 -1.43 117.46 114.20 3hh2 n PHE 49 Ca -0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.44 3hh2 n PHE 49 Cb 0.64 0.00 0.20 0.00 -0.00 0.00 0.00 39.48 40.32 3hh2 n PHE 49 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3hh2 n VAL 50 N 0.00 2.28 -1.94 -2.13 0.24 -1.26 -4.97 118.33 110.56 3hh2 n VAL 50 Ca 0.00 -2.62 -0.42 0.00 -2.04 0.00 0.00 64.34 59.26 3hh2 n VAL 50 Cb 0.00 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.07 3hh2 n VAL 50 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3hh2 s PHE 51 N -3.10 3.05 -1.65 6.34 0.08 -0.51 -2.85 117.98 119.34 3hh2 s PHE 51 Ca 0.40 0.68 0.00 0.00 0.12 0.00 0.00 56.93 58.13 3hh2 s PHE 51 Cb 0.36 -3.92 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 3hh2 s PHE 51 CO 0.00 -3.33 0.00 1.28 -0.10 0.00 0.00 175.22 173.07 3hh2 n LEU 52 N 3.69 -1.73 -4.53 -0.37 7.99 -1.26 -4.55 117.00 116.24 3hh2 n LEU 52 Ca 0.13 0.08 -0.37 0.00 -0.01 0.00 0.00 56.01 55.84 3hh2 n LEU 52 Cb 0.39 -2.63 -0.12 0.00 -0.11 0.00 0.00 43.42 40.95 3hh2 n LEU 52 CO 0.61 -0.36 -0.22 -1.10 -1.51 0.00 0.00 177.39 174.82 3hh2 s GLN 53 N -4.63 3.82 0.04 3.23 -0.21 -1.13 -0.82 119.66 119.96 3hh2 s GLN 53 Ca 0.00 -0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.07 3hh2 s GLN 53 Cb 0.00 -3.50 -0.22 0.00 1.00 0.00 0.00 33.01 30.29 3hh2 s GLN 53 CO 0.00 -0.17 0.99 1.57 -2.12 0.00 0.00 175.29 175.56 3hh2 h LYS 54 N 8.27 0.02 -5.33 2.91 5.09 -1.92 -3.46 116.57 122.15 3hh2 h LYS 54 Ca -0.37 -0.03 -0.62 0.00 0.09 0.00 0.00 60.65 59.72 3hh2 h LYS 54 Cb 1.18 0.01 -0.16 0.00 0.10 0.00 0.00 32.23 33.36 3hh2 h LYS 54 CO 0.57 0.80 -0.57 0.71 -2.09 0.00 0.00 179.45 178.86 3hh2 s TYR 55 N -2.66 3.23 0.40 0.07 2.02 -1.26 -4.98 117.35 114.17 3hh2 s TYR 55 Ca -0.02 0.05 0.19 0.00 -0.37 0.00 0.00 57.07 56.92 3hh2 s TYR 55 Cb 0.09 -2.05 1.08 0.00 -0.40 0.00 0.00 41.96 40.68 3hh2 s TYR 55 CO 0.82 0.17 1.96 -1.00 -1.57 0.00 0.00 175.55 175.94 3hh2 h PRO 56 N 6.56 0.00 -0.97 -1.71 0.13 -2.01 -2.70 132.00 131.30 3hh2 h PRO 56 Ca -0.37 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.93 3hh2 h PRO 56 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 3hh2 h PRO 56 CO 0.69 0.22 0.61 1.25 -0.23 0.00 0.00 178.00 180.53 3hh2 h HIS 57 N 0.00 0.93 -0.04 1.56 2.76 -2.00 -2.90 115.15 115.47 3hh2 h HIS 57 Ca -0.00 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.23 3hh2 h HIS 57 Cb 0.45 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 3hh2 h HIS 57 CO 0.00 0.27 -0.18 1.15 -1.30 0.00 0.00 177.93 177.87 3hh2 h THR 58 N 0.72 0.57 -0.03 6.26 2.02 -1.88 -1.86 112.91 118.70 3hh2 h THR 58 Ca 0.52 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.56 3hh2 h THR 58 Cb 0.86 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3hh2 h THR 58 CO -0.29 0.00 -0.62 -0.74 0.37 0.00 0.00 175.52 174.24 3hh2 h HIS 59 N -0.27 0.15 -0.65 3.16 6.17 -1.71 -2.68 115.15 119.32 3hh2 h HIS 59 Ca 0.07 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.09 3hh2 h HIS 59 Cb 0.36 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.23 3hh2 h HIS 59 CO -0.24 0.70 0.43 -0.07 0.71 0.00 0.00 177.93 179.46 3hh2 h LEU 60 N 0.09 0.75 -0.57 0.26 3.38 -1.29 -0.24 115.31 117.69 3hh2 h LEU 60 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3hh2 h LEU 60 Cb 1.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3hh2 h LEU 60 CO 0.09 0.55 0.26 0.58 0.09 0.00 0.00 178.44 180.01 3hh2 h VAL 61 N 0.89 1.21 -0.15 1.22 2.07 -1.25 -2.33 116.25 117.91 3hh2 h VAL 61 Ca 0.24 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3hh2 h VAL 61 Cb -0.10 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3hh2 h VAL 61 CO -0.05 0.24 -0.08 -0.74 0.02 0.00 0.00 177.57 176.96 3hh2 h HIS 62 N 0.78 -0.20 -0.53 1.57 -0.00 -1.09 0.73 115.15 116.41 3hh2 h HIS 62 Ca 0.20 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.67 3hh2 h HIS 62 Cb 0.14 0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.59 3hh2 h HIS 62 CO 0.00 -0.13 0.13 1.96 -0.00 0.00 0.00 177.93 179.89 3hh2 h GLN 63 N -0.08 0.26 -0.04 5.26 4.20 -0.90 -2.08 115.11 121.75 3hh2 h GLN 63 Ca 0.09 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3hh2 h GLN 63 Cb 0.21 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hh2 h GLN 63 CO -0.20 0.17 -0.37 0.00 -0.67 0.00 0.00 178.83 177.76 3hh2 h ALA 64 N 1.40 1.31 -6.63 3.87 0.00 -0.90 -3.47 119.26 114.84 3hh2 h ALA 64 Ca 0.27 -0.36 -0.49 0.00 0.00 0.00 0.00 54.91 54.33 3hh2 h ALA 64 Cb 0.36 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hh2 h ALA 64 CO -0.33 0.50 -0.96 -1.71 0.00 0.00 0.00 179.25 176.75 3hh2 n ASN 65 N -4.08 -4.85 -4.87 0.00 5.15 0.20 -4.95 115.26 101.87 3hh2 n ASN 65 Ca -0.02 -1.06 -0.31 0.00 -0.60 0.00 0.00 54.58 52.59 3hh2 n ASN 65 Cb 0.42 -2.27 0.02 0.00 -0.53 0.00 0.00 39.78 37.42 3hh2 n ASN 65 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3hh2 s PRO 66 N -6.10 3.47 0.24 1.20 0.04 -1.26 -4.97 135.00 127.62 3hh2 s PRO 66 Ca 0.31 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 3hh2 s PRO 66 Cb -0.15 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 3hh2 s PRO 66 CO 0.91 -0.66 1.37 -2.13 0.04 0.00 0.00 177.00 176.53 3hh2 n ARG 67 N -2.81 1.92 -0.14 4.56 0.63 -1.26 -2.38 116.66 117.18 3hh2 n ARG 67 Ca 0.06 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 3hh2 n ARG 67 Cb 0.54 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.14 3hh2 n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hh2 n GLY 68 N 2.07 1.47 3.68 5.14 0.00 -1.26 -5.02 105.19 111.27 3hh2 n GLY 68 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3hh2 n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hh2 s SER 69 N -3.10 7.16 0.12 1.61 1.04 -1.00 -5.03 113.70 114.50 3hh2 s SER 69 Ca 0.00 1.57 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 3hh2 s SER 69 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 3hh2 s SER 69 CO 0.00 -0.53 0.32 0.00 0.98 0.00 0.00 173.24 174.01 3hh2 s ALA 70 N 2.34 3.87 1.06 5.32 0.00 -1.26 -4.94 121.76 128.15 3hh2 s ALA 70 Ca 0.49 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 3hh2 s ALA 70 Cb -0.19 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 3hh2 s ALA 70 CO 0.16 0.72 -0.40 0.41 0.00 0.00 0.00 175.76 176.65 3hh2 n GLY 71 N 0.15 -2.73 3.76 0.00 0.00 -1.26 -4.86 105.19 100.24 3hh2 n GLY 71 Ca -0.03 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3hh2 n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hh2 s PRO 72 N -2.99 3.37 0.17 1.61 0.04 -1.26 -5.03 135.00 130.91 3hh2 s PRO 72 Ca 0.50 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.54 3hh2 s PRO 72 Cb -0.08 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3hh2 s PRO 72 CO 0.68 -0.91 -0.14 0.00 0.04 0.00 0.00 177.00 176.67 3hh2 s THR 75 N 3.46 0.12 0.24 0.00 -1.32 -0.17 -4.78 115.64 113.19 3hh2 s THR 75 Ca 0.47 -1.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.44 3hh2 s THR 75 Cb -0.16 -1.46 -0.10 0.00 -1.51 0.00 0.00 72.50 69.27 3hh2 s THR 75 CO 0.11 -0.55 1.51 -2.84 -2.21 0.00 0.00 174.62 170.64 3hh2 s PRO 76 N -3.89 4.22 0.00 7.08 0.02 -1.26 -0.93 135.00 140.25 3hh2 s PRO 76 Ca 0.08 2.38 0.08 0.00 0.02 0.00 0.00 61.00 63.56 3hh2 s PRO 76 Cb 0.04 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.51 3hh2 s PRO 76 CO -0.08 -0.51 0.69 0.25 -0.33 0.00 0.00 177.00 177.02 3hh2 n THR 77 N 2.64 0.00 -3.66 0.99 -2.24 0.30 -4.82 114.28 107.49 3hh2 n THR 77 Ca 0.09 -0.48 -0.07 0.00 -2.27 0.00 0.00 64.05 61.32 3hh2 n THR 77 Cb 0.39 1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 3hh2 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hh2 s LYS 78 N -0.82 0.50 0.26 -0.78 2.20 -1.14 -4.94 119.74 115.02 3hh2 s LYS 78 Ca 0.08 1.12 0.11 0.00 -0.36 0.00 0.00 55.97 56.92 3hh2 s LYS 78 Cb 0.07 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 3hh2 s LYS 78 CO 0.13 -0.19 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.16 3hh2 s MET 79 N 2.11 1.91 0.10 4.03 -1.94 -1.26 0.07 119.30 124.31 3hh2 s MET 79 Ca -0.07 -1.60 0.05 0.00 -1.71 0.00 0.00 55.69 52.37 3hh2 s MET 79 Cb -0.09 -1.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 3hh2 s MET 79 CO -0.16 0.35 -0.14 -1.12 -0.01 0.00 0.00 175.02 173.94 3hh2 s SER 80 N -3.47 1.81 0.77 3.03 0.01 0.12 -4.83 113.70 111.14 3hh2 s SER 80 Ca 0.30 -0.73 -0.08 0.00 1.31 0.00 0.00 55.95 56.75 3hh2 s SER 80 Cb -0.06 -0.05 0.10 0.00 0.21 0.00 0.00 66.02 66.22 3hh2 s SER 80 CO 0.16 -0.13 1.09 -2.16 0.41 0.00 0.00 173.24 172.62 3hh2 s PRO 81 N -2.29 1.74 0.08 12.44 0.04 -1.26 -1.17 135.00 144.59 3hh2 s PRO 81 Ca 0.04 -0.40 0.04 0.00 0.04 0.00 0.00 61.00 60.72 3hh2 s PRO 81 Cb -0.07 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3hh2 s PRO 81 CO 0.02 -1.57 -0.12 0.96 0.04 0.00 0.00 177.00 176.34 3hh2 s ILE 82 N -3.40 0.98 0.12 0.56 -4.36 -0.86 -4.79 121.20 109.45 3hh2 s ILE 82 Ca 0.64 -1.43 -0.30 0.00 -0.26 0.00 0.00 60.65 59.30 3hh2 s ILE 82 Cb -0.08 -1.15 -0.06 0.00 1.25 0.00 0.00 42.46 42.42 3hh2 s ILE 82 CO 0.47 -0.39 1.07 0.20 0.24 0.00 0.00 174.94 176.53 3hh2 s ASN 83 N -2.04 7.30 0.03 4.36 0.02 -1.26 -0.87 114.94 122.47 3hh2 s ASN 83 Ca 0.00 1.96 0.02 0.00 -1.02 0.00 0.00 52.86 53.82 3hh2 s ASN 83 Cb -0.07 -2.59 -0.02 0.00 0.02 0.00 0.00 41.25 38.59 3hh2 s ASN 83 CO 0.01 -0.24 -0.06 -0.04 0.02 0.00 0.00 177.10 176.79 3hh2 s MET 84 N 0.14 0.46 -0.14 -0.60 -1.94 -0.30 -4.48 119.30 112.44 3hh2 s MET 84 Ca 0.51 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.91 3hh2 s MET 84 Cb -0.27 -0.26 -0.01 0.00 2.01 0.00 0.00 34.83 36.30 3hh2 s MET 84 CO 0.32 0.05 -0.15 -1.17 -0.01 0.00 0.00 175.02 174.05 3hh2 s LEU 85 N -1.19 2.52 0.19 -0.03 2.96 0.11 -1.68 118.68 121.57 3hh2 s LEU 85 Ca -0.08 -0.43 -0.16 0.00 -0.22 0.00 0.00 54.13 53.25 3hh2 s LEU 85 Cb -0.08 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.07 3hh2 s LEU 85 CO 0.00 0.12 0.48 -0.72 -1.32 0.00 0.00 176.35 174.91 3hh2 s TYR 86 N 0.58 0.02 -0.10 5.38 -0.85 -0.09 -0.66 117.35 121.62 3hh2 s TYR 86 Ca -0.09 -0.37 -0.23 0.00 -0.52 0.00 0.00 57.07 55.86 3hh2 s TYR 86 Cb -0.16 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.45 3hh2 s TYR 86 CO 0.03 -0.89 0.68 -0.06 -1.52 0.00 0.00 175.55 173.79 3hh2 s PHE 87 N -3.90 3.52 0.15 -3.49 0.08 0.13 -0.11 117.98 114.35 3hh2 s PHE 87 Ca 0.12 1.16 -0.01 0.00 0.12 0.00 0.00 56.93 58.31 3hh2 s PHE 87 Cb -0.00 -2.80 0.03 0.00 -0.57 0.00 0.00 43.02 39.68 3hh2 s PHE 87 CO -0.01 0.02 0.20 0.27 -0.10 0.00 0.00 175.22 175.60 3hh2 n ASN 88 N 4.11 0.12 0.08 1.36 6.94 -0.67 -4.83 115.26 122.36 3hh2 n ASN 88 Ca -0.01 -1.14 0.09 0.00 -0.02 0.00 0.00 54.58 53.50 3hh2 n ASN 88 Cb 0.51 -0.14 0.40 0.00 -2.36 0.00 0.00 39.78 38.18 3hh2 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hh2 n GLY 89 N 3.61 -1.06 1.05 4.83 0.00 -1.26 -0.38 105.19 111.97 3hh2 n GLY 89 Ca 0.03 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3hh2 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hh2 n LYS 90 N -1.93 2.39 -2.13 1.61 5.02 -1.26 -4.96 118.16 116.90 3hh2 n LYS 90 Ca 0.02 -2.19 -0.13 0.00 -2.02 0.00 0.00 58.31 53.99 3hh2 n LYS 90 Cb 0.16 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 3hh2 n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hh2 n GLU 91 N 1.32 -1.02 -3.39 1.97 -0.58 0.49 -5.02 120.64 114.41 3hh2 n GLU 91 Ca 0.18 0.67 -0.33 0.00 -0.42 0.00 0.00 57.16 57.26 3hh2 n GLU 91 Cb 0.56 -4.87 -0.06 0.00 -0.57 0.00 0.00 31.44 26.50 3hh2 n GLU 91 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hh2 s GLN 92 N -4.44 3.85 -0.25 3.49 -0.21 -1.26 -4.79 119.66 116.05 3hh2 s GLN 92 Ca 0.00 0.35 -0.29 0.00 0.02 0.00 0.00 55.36 55.44 3hh2 s GLN 92 Cb 0.00 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.32 3hh2 s GLN 92 CO 0.00 0.34 1.15 0.42 -2.12 0.00 0.00 175.29 175.09 3hh2 s ILE 93 N -1.75 4.44 -0.07 1.08 1.01 -1.26 -1.68 121.20 122.97 3hh2 s ILE 93 Ca 0.46 1.70 0.05 0.00 0.00 0.00 0.00 60.65 62.85 3hh2 s ILE 93 Cb -0.12 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 3hh2 s ILE 93 CO 0.20 -0.30 -0.22 -0.63 0.00 0.00 0.00 174.94 174.00 3hh2 s ILE 94 N 3.60 1.88 -0.19 2.92 -1.09 0.85 -4.97 121.20 124.19 3hh2 s ILE 94 Ca 0.49 -0.94 -0.10 0.00 -2.23 0.00 0.00 60.65 57.88 3hh2 s ILE 94 Cb -0.16 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 3hh2 s ILE 94 CO 0.14 0.52 0.14 -0.47 -1.23 0.00 0.00 174.94 174.03 3hh2 s TYR 95 N 0.16 3.42 0.18 3.97 5.04 -1.26 -0.91 117.35 127.95 3hh2 s TYR 95 Ca -0.11 0.35 -0.22 0.00 -2.44 0.00 0.00 57.07 54.65 3hh2 s TYR 95 Cb -0.15 -2.15 0.06 0.00 0.35 0.00 0.00 41.96 40.06 3hh2 s TYR 95 CO 0.06 0.32 0.60 0.20 -1.34 0.00 0.00 175.55 175.39 3hh2 s GLY 96 N 0.27 -0.49 -0.14 8.97 0.00 -0.67 -5.01 107.32 110.25 3hh2 s GLY 96 Ca 0.09 0.30 -0.23 0.00 0.00 0.00 0.00 44.72 44.88 3hh2 s GLY 96 CO -0.01 0.07 0.69 0.54 0.00 0.00 0.00 173.10 174.39 3hh2 s LYS 97 N -3.78 4.31 -0.30 2.90 1.02 -1.26 -1.15 119.74 121.47 3hh2 s LYS 97 Ca 0.03 0.79 -0.09 0.00 0.02 0.00 0.00 55.97 56.72 3hh2 s LYS 97 Cb -0.02 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 3hh2 s LYS 97 CO -0.09 -0.14 0.14 0.42 -0.92 0.00 0.00 175.35 174.75 3hh2 s ILE 98 N 1.55 4.54 0.63 2.17 -1.09 -0.05 -4.94 121.20 124.01 3hh2 s ILE 98 Ca 0.34 -0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 58.19 3hh2 s ILE 98 Cb -0.17 -3.30 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 3hh2 s ILE 98 CO 0.13 0.09 1.08 -2.84 -1.23 0.00 0.00 174.94 172.17 3hh2 s PRO 99 N 1.61 3.03 -1.31 2.79 0.02 -1.26 -2.02 135.00 137.86 3hh2 s PRO 99 Ca 0.05 1.27 -0.05 0.00 0.02 0.00 0.00 61.00 62.28 3hh2 s PRO 99 Cb -0.17 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.37 3hh2 s PRO 99 CO 0.06 -1.05 1.06 0.00 -0.33 0.00 0.00 177.00 176.74 3hh2 n ALA 100 N -2.33 -1.65 -0.00 -1.55 0.00 -1.18 -4.84 120.51 108.96 3hh2 n ALA 100 Ca 0.09 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.78 3hh2 n ALA 100 Cb 0.53 -3.91 -0.15 0.00 0.00 0.00 0.00 19.45 15.92 3hh2 n ALA 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hh2 n MET 101 N -4.57 0.65 -4.83 0.00 2.81 -0.31 -4.90 117.12 105.96 3hh2 n MET 101 Ca -0.13 -0.14 -0.27 0.00 -1.81 0.00 0.00 57.70 55.35 3hh2 n MET 101 Cb 0.61 -1.56 -0.16 0.00 -0.71 0.00 0.00 33.22 31.39 3hh2 n MET 101 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hh2 s VAL 102 N -3.42 1.46 -0.14 2.03 1.01 -0.50 -4.67 120.40 116.16 3hh2 s VAL 102 Ca -0.07 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 3hh2 s VAL 102 Cb 0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3hh2 s VAL 102 CO 0.89 0.42 0.73 -0.69 0.00 0.00 0.00 175.10 176.46 3hh2 s VAL 103 N 0.33 4.97 -0.20 2.92 1.01 -0.76 0.12 120.40 128.80 3hh2 s VAL 103 Ca -0.11 1.45 0.16 0.00 0.00 0.00 0.00 61.98 63.48 3hh2 s VAL 103 Cb -0.15 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 3hh2 s VAL 103 CO 0.04 0.12 0.08 0.47 0.00 0.00 0.00 175.10 175.81 3hh2 n ASP 104 N 4.71 0.29 -3.73 3.32 8.00 0.11 -4.79 116.55 124.46 3hh2 n ASP 104 Ca 0.01 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 3hh2 n ASP 104 Cb 0.50 0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 42.26 3hh2 n ASP 104 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hh2 s ARG 105 N -2.50 0.51 0.05 -1.24 3.52 -1.00 -4.97 118.95 113.32 3hh2 s ARG 105 Ca -0.12 0.54 0.07 0.00 -0.13 0.00 0.00 55.73 56.09 3hh2 s ARG 105 Cb 0.06 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 3hh2 s ARG 105 CO 0.80 -0.07 -0.18 0.00 -0.81 0.00 0.00 175.30 175.04 3hh2 s GLY 107 N -1.55 0.04 -0.31 0.00 0.00 -0.10 -4.62 107.32 100.78 3hh2 s GLY 107 Ca 0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 44.72 44.30 3hh2 s GLY 107 CO 0.06 -0.19 0.32 0.00 0.00 0.00 0.00 173.10 173.29