#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh0 n ALA 2 N 0.00 0.23 -3.18 1.47 0.00 -1.26 -4.18 120.51 113.58 3hh0 n ALA 2 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 3hh0 n ALA 2 Cb 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 3hh0 n ALA 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hh0 s TRP 3 N -2.09 -0.14 0.28 0.00 0.51 -0.53 -4.94 118.94 112.02 3hh0 s TRP 3 Ca 0.07 0.17 -0.09 0.00 -2.12 0.00 0.00 56.10 54.13 3hh0 s TRP 3 Cb 0.00 0.08 -0.07 0.00 -0.81 0.00 0.00 33.47 32.68 3hh0 s TRP 3 CO 0.05 -0.40 0.59 -0.51 -0.51 0.00 0.00 176.95 176.18 3hh0 s LEU 4 N -1.46 4.08 0.41 2.99 1.43 -1.26 0.27 118.68 125.14 3hh0 s LEU 4 Ca -0.12 0.91 0.34 0.00 -1.03 0.00 0.00 54.13 54.23 3hh0 s LEU 4 Cb -0.05 -3.71 1.31 0.00 0.03 0.00 0.00 46.19 43.77 3hh0 s LEU 4 CO 0.03 -0.16 1.25 0.00 0.23 0.00 0.00 176.35 177.70 3hh0 n ILE 5 N -0.55 -0.09 0.06 -0.59 3.06 -1.25 -0.20 119.36 119.80 3hh0 n ILE 5 Ca 0.00 1.31 -0.21 0.00 -2.50 0.00 0.00 62.75 61.35 3hh0 n ILE 5 Cb 0.53 -2.16 -0.12 0.00 0.54 0.00 0.00 39.64 38.42 3hh0 n ILE 5 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 3hh0 h SER 6 N 0.00 0.78 0.89 9.51 0.87 -1.95 -2.26 113.55 121.40 3hh0 h SER 6 Ca 0.74 -0.81 -0.15 0.00 -1.23 0.00 0.00 61.79 60.33 3hh0 h SER 6 Cb 2.71 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 64.40 3hh0 h SER 6 CO -0.17 1.51 -0.71 -0.33 -0.53 0.00 0.00 176.83 176.60 3hh0 h GLU 7 N 0.15 0.00 -0.13 2.24 5.08 -0.95 -2.99 114.58 117.98 3hh0 h GLU 7 Ca -0.15 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 3hh0 h GLU 7 Cb 1.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 3hh0 h GLU 7 CO 0.20 0.71 -0.60 0.35 -1.00 0.00 0.00 179.01 178.67 3hh0 h PHE 8 N 0.00 0.55 -0.94 4.33 3.57 -1.18 -0.65 116.94 122.62 3hh0 h PHE 8 Ca -0.01 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.31 3hh0 h PHE 8 Cb 1.34 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 3hh0 h PHE 8 CO 0.00 0.92 0.62 0.00 -2.23 0.00 0.00 178.31 177.62 3hh0 h ALA 9 N 1.03 1.39 -0.01 2.41 0.00 -1.26 -0.14 119.26 122.68 3hh0 h ALA 9 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hh0 h ALA 9 Cb 1.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hh0 h ALA 9 CO 0.11 0.53 -0.06 0.77 0.00 0.00 0.00 179.25 180.59 3hh0 h SER 10 N 1.20 0.07 0.21 0.00 0.02 -1.39 -2.01 113.55 111.65 3hh0 h SER 10 Ca 0.37 -0.69 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3hh0 h SER 10 Cb -0.02 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3hh0 h SER 10 CO -0.11 0.75 -0.47 0.58 -1.14 0.00 0.00 176.83 176.44 3hh0 h VAL 11 N -0.60 0.08 -3.59 2.27 2.07 -0.91 -3.32 116.25 112.25 3hh0 h VAL 11 Ca -0.01 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.87 3hh0 h VAL 11 Cb 0.75 0.08 -0.15 0.00 -1.52 0.00 0.00 31.29 30.45 3hh0 h VAL 11 CO 0.01 0.00 0.04 -0.83 0.02 0.00 0.00 177.57 176.81 3hh0 s GLY 12 N -2.27 1.78 0.00 2.17 0.00 -0.08 -4.92 107.32 104.00 3hh0 s GLY 12 Ca -0.17 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.45 3hh0 s GLY 12 CO 0.62 1.40 0.65 1.22 0.00 0.00 0.00 173.10 176.98 3hh0 n ASP 13 N 5.96 0.00 -2.17 1.64 10.43 -1.25 -4.43 116.55 126.73 3hh0 n ASP 13 Ca -0.03 -1.32 -0.09 0.00 2.57 0.00 0.00 54.79 55.92 3hh0 n ASP 13 Cb 0.48 -0.25 -0.03 0.00 1.84 0.00 0.00 41.12 43.17 3hh0 n ASP 13 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 3hh0 n VAL 14 N 4.16 0.00 -4.47 2.53 0.24 -0.76 -5.07 118.33 114.96 3hh0 n VAL 14 Ca 0.06 -0.87 -0.26 0.00 -2.04 0.00 0.00 64.34 61.23 3hh0 n VAL 14 Cb 0.09 0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 32.71 3hh0 n VAL 14 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hh0 s THR 15 N -2.23 2.21 0.18 3.34 -4.23 -1.26 -4.47 115.64 109.18 3hh0 s THR 15 Ca 0.10 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 3hh0 s THR 15 Cb 0.00 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 3hh0 s THR 15 CO 0.07 -0.08 1.50 0.58 -0.54 0.00 0.00 174.62 176.15 3hh0 h VAL 16 N 1.77 1.30 0.10 2.29 2.07 -1.94 -1.30 116.25 120.55 3hh0 h VAL 16 Ca -0.43 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 65.41 3hh0 h VAL 16 Cb 1.25 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 3hh0 h VAL 16 CO 0.74 0.54 -0.22 0.03 0.02 0.00 0.00 177.57 178.69 3hh0 h ARG 17 N 0.54 -0.39 -0.43 1.57 -0.00 -1.98 0.11 114.38 113.81 3hh0 h ARG 17 Ca 0.02 0.03 0.08 0.00 -0.50 0.00 0.00 59.98 59.61 3hh0 h ARG 17 Cb 1.05 0.09 -0.07 0.00 0.00 0.00 0.00 29.97 31.03 3hh0 h ARG 17 CO 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 179.97 179.81 3hh0 h ALA 18 N 0.39 0.39 -0.66 0.04 0.00 -1.93 -0.05 119.26 117.45 3hh0 h ALA 18 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hh0 h ALA 18 Cb 0.43 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3hh0 h ALA 18 CO -0.13 -0.39 0.27 -0.07 0.00 0.00 0.00 179.25 178.93 3hh0 h LEU 19 N 0.10 0.88 -0.39 0.00 3.38 -0.75 0.68 115.31 119.21 3hh0 h LEU 19 Ca 0.21 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3hh0 h LEU 19 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hh0 h LEU 19 CO -0.36 0.78 -0.02 0.03 0.09 0.00 0.00 178.44 178.96 3hh0 h ARG 20 N 0.95 0.71 -0.19 1.13 3.08 -0.04 -0.89 114.38 119.13 3hh0 h ARG 20 Ca 0.22 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hh0 h ARG 20 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hh0 h ARG 20 CO -0.02 0.81 0.10 -0.92 -1.07 0.00 0.00 179.97 178.87 3hh0 h TYR 21 N 0.53 0.18 -0.54 3.04 3.20 -0.50 0.22 116.97 123.11 3hh0 h TYR 21 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3hh0 h TYR 21 Cb 0.50 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3hh0 h TYR 21 CO 0.04 0.11 0.31 1.88 -1.64 0.00 0.00 178.16 178.86 3hh0 h TYR 22 N 0.21 0.71 -0.20 -3.82 0.05 -0.72 -0.51 116.97 112.68 3hh0 h TYR 22 Ca 0.08 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 3hh0 h TYR 22 Cb 0.01 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 3hh0 h TYR 22 CO -0.09 0.49 -0.05 0.22 -1.05 0.00 0.00 178.16 177.68 3hh0 h ASP 23 N 0.75 0.40 0.17 3.88 -0.00 -0.52 0.16 116.42 121.25 3hh0 h ASP 23 Ca 0.19 -0.37 -0.01 0.00 -0.00 0.00 0.00 57.03 56.85 3hh0 h ASP 23 Cb -0.01 -0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 39.21 3hh0 h ASP 23 CO -0.03 0.67 -0.10 0.50 -0.00 0.00 0.00 179.24 180.28 3hh0 h LYS 24 N 0.11 -0.24 0.00 0.28 3.64 0.18 -2.48 116.57 118.07 3hh0 h LYS 24 Ca 0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hh0 h LYS 24 Cb 0.50 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3hh0 h LYS 24 CO 0.02 -0.16 0.00 0.44 -2.27 0.00 0.00 179.45 177.48 3hh0 n ILE 25 N -5.21 0.00 -2.71 2.00 -5.35 -0.27 -4.88 119.36 102.94 3hh0 n ILE 25 Ca -0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.19 3hh0 n ILE 25 Cb 0.13 -0.11 0.01 0.00 -1.74 0.00 0.00 39.64 37.93 3hh0 n ILE 25 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3hh0 n ASN 26 N -0.56 -5.66 0.02 7.28 2.85 -0.93 -4.87 115.26 113.39 3hh0 n ASN 26 Ca 0.02 -0.12 -0.10 0.00 -0.11 0.00 0.00 54.58 54.27 3hh0 n ASN 26 Cb 0.01 -4.65 -0.14 0.00 1.24 0.00 0.00 39.78 36.24 3hh0 n ASN 26 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3hh0 h LEU 27 N -0.61 0.10 -6.36 1.20 5.85 -1.24 -3.45 115.31 110.79 3hh0 h LEU 27 Ca -0.49 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.10 3hh0 h LEU 27 Cb 1.35 -0.03 -0.23 0.00 0.37 0.00 0.00 40.66 42.11 3hh0 h LEU 27 CO 0.55 1.13 -0.30 -0.22 -0.34 0.00 0.00 178.44 179.26 3hh0 s LEU 28 N -6.47 -1.11 0.05 2.25 2.96 -0.95 -4.99 118.68 110.42 3hh0 s LEU 28 Ca -0.05 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 54.77 3hh0 s LEU 28 Cb 0.08 1.88 -0.03 0.00 0.50 0.00 0.00 46.19 48.61 3hh0 s LEU 28 CO 0.83 -0.26 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.93 3hh0 s LYS 29 N 2.77 2.21 0.30 1.98 1.02 -1.26 -2.74 119.74 124.02 3hh0 s LYS 29 Ca 0.13 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 3hh0 s LYS 29 Cb -0.14 -2.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.76 3hh0 s LYS 29 CO -0.19 0.55 1.52 -1.25 -0.92 0.00 0.00 175.35 175.06 3hh0 s PRO 30 N -1.64 4.17 0.27 -1.68 0.04 -1.26 -4.90 135.00 130.00 3hh0 s PRO 30 Ca 0.17 2.49 0.25 0.00 0.04 0.00 0.00 61.00 63.95 3hh0 s PRO 30 Cb -0.11 -3.04 0.96 0.00 0.04 0.00 0.00 34.50 32.36 3hh0 s PRO 30 CO 0.08 -0.54 1.74 0.77 0.04 0.00 0.00 177.00 179.09 3hh0 h SER 31 N 4.52 0.00 -3.88 6.66 0.02 -1.95 -3.47 113.55 115.45 3hh0 h SER 31 Ca -0.47 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.17 3hh0 h SER 31 Cb 1.22 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 3hh0 h SER 31 CO 0.76 0.00 -0.28 -0.67 -1.14 0.00 0.00 176.83 175.50 3hh0 n ASP 32 N -2.31 -0.64 -3.70 3.07 -0.08 -0.79 -5.01 116.55 107.10 3hh0 n ASP 32 Ca 0.03 -2.54 -0.14 0.00 -1.51 0.00 0.00 54.79 50.63 3hh0 n ASP 32 Cb 0.28 1.38 -0.07 0.00 2.34 0.00 0.00 41.12 45.05 3hh0 n ASP 32 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 3hh0 s TYR 33 N -3.11 -0.27 0.44 -0.67 2.02 -1.26 -2.18 117.35 112.32 3hh0 s TYR 33 Ca 0.27 0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 57.30 3hh0 s TYR 33 Cb 0.01 0.18 -0.04 0.00 -0.40 0.00 0.00 41.96 41.71 3hh0 s TYR 33 CO 0.19 -0.48 0.72 0.95 -1.57 0.00 0.00 175.55 175.36 3hh0 s THR 34 N -1.71 4.96 0.41 -0.71 -4.23 -0.36 -4.87 115.64 109.13 3hh0 s THR 34 Ca -0.10 0.04 0.10 0.00 -1.18 0.00 0.00 61.69 60.55 3hh0 s THR 34 Cb -0.03 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.26 3hh0 s THR 34 CO 0.03 -0.75 2.00 -0.33 -0.54 0.00 0.00 174.62 175.02 3hh0 h GLU 35 N 0.43 0.52 0.00 3.99 3.07 -2.02 0.43 114.58 121.00 3hh0 h GLU 35 Ca -0.48 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.35 3hh0 h GLU 35 Cb 1.21 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 3hh0 h GLU 35 CO 0.62 0.35 -0.02 0.78 -1.40 0.00 0.00 179.01 179.33 3hh0 h GLY 36 N 0.54 0.00 0.00 -3.84 0.00 -2.04 -3.45 103.07 94.27 3hh0 h GLY 36 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hh0 h GLY 36 CO -0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.08 3hh0 n GLY 37 N -0.97 1.73 3.84 4.60 0.00 0.15 -5.11 105.19 109.43 3hh0 n GLY 37 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3hh0 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hh0 s HIS 38 N -2.00 3.24 0.32 1.61 3.76 -1.24 -4.84 115.29 116.14 3hh0 s HIS 38 Ca 0.00 0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.64 3hh0 s HIS 38 Cb 0.00 -1.56 -0.10 0.00 1.11 0.00 0.00 32.58 32.03 3hh0 s HIS 38 CO 0.00 0.52 1.41 1.03 -0.85 0.00 0.00 174.74 176.84 3hh0 s ARG 39 N -3.10 4.25 -0.16 1.40 0.52 -1.26 -1.22 118.95 119.37 3hh0 s ARG 39 Ca 0.32 2.36 -0.04 0.00 -0.52 0.00 0.00 55.73 57.85 3hh0 s ARG 39 Cb -0.10 -3.05 0.06 0.00 0.52 0.00 0.00 34.95 32.37 3hh0 s ARG 39 CO 0.25 -0.37 0.07 -1.17 0.02 0.00 0.00 175.30 174.10 3hh0 s LEU 40 N -1.47 0.60 0.12 2.53 1.98 -0.93 -3.97 118.68 117.54 3hh0 s LEU 40 Ca 0.53 -0.60 -0.23 0.00 -2.89 0.00 0.00 54.13 50.94 3hh0 s LEU 40 Cb -0.43 -0.35 -0.07 0.00 0.66 0.00 0.00 46.19 46.00 3hh0 s LEU 40 CO 0.53 -0.32 0.70 -0.31 -1.89 0.00 0.00 176.35 175.06 3hh0 s TYR 41 N 2.05 3.85 0.54 5.38 2.02 0.14 -1.89 117.35 129.43 3hh0 s TYR 41 Ca 0.01 1.48 -0.00 0.00 -0.37 0.00 0.00 57.07 58.20 3hh0 s TYR 41 Cb -0.16 -2.68 0.02 0.00 -0.40 0.00 0.00 41.96 38.75 3hh0 s TYR 41 CO -0.08 0.51 0.77 0.99 -1.57 0.00 0.00 175.55 176.17 3hh0 s THR 42 N -0.98 3.08 0.35 -0.71 2.01 -1.26 -1.45 115.64 116.67 3hh0 s THR 42 Ca 0.34 -0.54 0.25 0.00 0.31 0.00 0.00 61.69 62.05 3hh0 s THR 42 Cb -0.21 -3.17 0.26 0.00 0.01 0.00 0.00 72.50 69.39 3hh0 s THR 42 CO 0.23 -0.13 2.00 0.50 -0.69 0.00 0.00 174.62 176.53 3hh0 h LYS 43 N 0.09 0.00 -0.22 4.92 3.64 -1.99 -1.40 116.57 121.61 3hh0 h LYS 43 Ca -0.44 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.81 3hh0 h LYS 43 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3hh0 h LYS 43 CO 0.55 0.17 -0.41 -0.44 -2.27 0.00 0.00 179.45 177.05 3hh0 h ASP 44 N 0.00 0.73 -0.67 4.20 3.32 -1.95 -2.65 116.42 119.41 3hh0 h ASP 44 Ca -0.00 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.52 3hh0 h ASP 44 Cb 0.45 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3hh0 h ASP 44 CO 0.02 1.13 0.45 0.44 -1.72 0.00 0.00 179.24 179.56 3hh0 h ASP 45 N 0.36 0.77 -0.92 6.45 3.32 -1.73 -0.84 116.42 123.84 3hh0 h ASP 45 Ca 0.01 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.16 3hh0 h ASP 45 Cb 1.00 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.29 3hh0 h ASP 45 CO 0.09 0.56 0.59 0.25 -1.72 0.00 0.00 179.24 179.01 3hh0 h LEU 46 N 0.91 0.79 -0.10 1.55 5.85 -1.14 0.15 115.31 123.31 3hh0 h LEU 46 Ca 0.25 0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.76 3hh0 h LEU 46 Cb -0.10 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.82 3hh0 h LEU 46 CO -0.06 0.43 -0.92 1.88 -0.34 0.00 0.00 178.44 179.43 3hh0 h TYR 47 N 0.85 0.99 -0.76 1.25 0.05 -0.95 -1.63 116.97 116.77 3hh0 h TYR 47 Ca 0.45 -0.49 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3hh0 h TYR 47 Cb 0.53 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 3hh0 h TYR 47 CO -0.00 1.32 0.50 0.28 -1.05 0.00 0.00 178.16 179.21 3hh0 h VAL 48 N 0.43 1.18 -0.51 -2.88 2.07 -0.28 -0.68 116.25 115.57 3hh0 h VAL 48 Ca -0.09 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hh0 h VAL 48 Cb 1.56 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3hh0 h VAL 48 CO 0.18 0.18 0.33 0.25 0.02 0.00 0.00 177.57 178.53 3hh0 h LEU 49 N 1.01 0.56 -0.96 2.57 5.85 -0.65 0.39 115.31 124.08 3hh0 h LEU 49 Ca 0.28 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.04 3hh0 h LEU 49 Cb -0.09 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 3hh0 h LEU 49 CO -0.07 0.40 0.62 -0.61 -0.34 0.00 0.00 178.44 178.45 3hh0 h GLN 50 N 0.67 1.13 -0.50 1.25 4.15 -0.54 0.11 115.11 121.39 3hh0 h GLN 50 Ca 0.19 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 3hh0 h GLN 50 Cb -0.06 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.36 3hh0 h GLN 50 CO -0.05 0.75 0.03 1.96 -1.93 0.00 0.00 178.83 179.58 3hh0 h GLN 51 N 1.16 0.87 -0.31 1.69 4.20 -0.28 0.22 115.11 122.66 3hh0 h GLN 51 Ca 0.40 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hh0 h GLN 51 Cb 0.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3hh0 h GLN 51 CO -0.15 0.89 0.19 0.82 -0.67 0.00 0.00 178.83 179.91 3hh0 h ILE 52 N 0.73 1.11 0.31 2.54 2.04 -0.04 -2.86 117.51 121.35 3hh0 h ILE 52 Ca 0.14 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hh0 h ILE 52 Cb 0.48 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3hh0 h ILE 52 CO 0.02 0.11 -0.33 1.56 0.00 0.00 0.00 178.15 179.51 3hh0 h GLN 53 N 0.40 -0.65 -7.08 2.37 1.08 -0.57 -2.91 115.11 107.75 3hh0 h GLN 53 Ca 0.11 0.04 -0.41 0.00 -1.45 0.00 0.00 58.65 56.95 3hh0 h GLN 53 Cb 0.01 0.15 0.22 0.00 -0.05 0.00 0.00 27.48 27.81 3hh0 h GLN 53 CO -0.02 -0.44 -0.07 -1.12 -0.95 0.00 0.00 178.83 176.24 3hh0 s SER 54 N -4.64 -0.15 0.00 1.46 0.01 0.05 -1.87 113.70 108.55 3hh0 s SER 54 Ca -0.16 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.31 3hh0 s SER 54 Cb 0.06 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.47 3hh0 s SER 54 CO 0.63 -4.85 0.00 0.49 0.41 0.00 0.00 173.24 169.92 3hh0 n PHE 55 N -5.33 0.00 0.15 2.43 3.72 -1.26 -3.96 117.46 113.21 3hh0 n PHE 55 Ca 0.07 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.48 3hh0 n PHE 55 Cb 0.57 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.32 3hh0 n PHE 55 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hh0 h LYS 56 N 0.00 0.00 -0.22 -1.08 3.64 -1.24 -1.91 116.57 115.76 3hh0 h LYS 56 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3hh0 h LYS 56 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hh0 h LYS 56 CO 0.00 0.53 -0.06 1.25 -2.27 0.00 0.00 179.45 178.90 3hh0 h HIS 57 N 0.00 0.34 -3.34 1.91 2.76 -1.50 -3.40 115.15 111.92 3hh0 h HIS 57 Ca -0.01 -0.03 -0.46 0.00 -2.20 0.00 0.00 60.37 57.67 3hh0 h HIS 57 Cb 1.07 -0.10 0.05 0.00 1.55 0.00 0.00 27.41 29.99 3hh0 h HIS 57 CO 0.00 0.40 0.10 -0.51 -1.30 0.00 0.00 177.93 176.62 3hh0 s LEU 58 N -8.91 3.25 0.00 0.26 1.43 -0.74 -4.91 118.68 109.06 3hh0 s LEU 58 Ca -0.06 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3hh0 s LEU 58 Cb 0.16 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3hh0 s LEU 58 CO 0.74 -1.09 0.32 0.61 0.23 0.00 0.00 176.35 177.15 3hh0 n GLY 59 N -2.51 0.70 3.74 -3.19 0.00 -1.26 -4.82 105.19 97.85 3hh0 n GLY 59 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hh0 n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hh0 s PHE 60 N 0.07 3.60 0.35 1.61 0.08 -1.08 -5.03 117.98 117.58 3hh0 s PHE 60 Ca 0.00 1.61 -0.19 0.00 0.12 0.00 0.00 56.93 58.47 3hh0 s PHE 60 Cb 0.00 -3.27 -0.10 0.00 -0.57 0.00 0.00 43.02 39.09 3hh0 s PHE 60 CO 0.00 -0.58 0.83 -1.54 -0.10 0.00 0.00 175.22 173.84 3hh0 s SER 61 N -0.13 6.91 0.20 1.36 1.04 -1.26 -4.56 113.70 117.25 3hh0 s SER 61 Ca 0.49 1.49 -0.20 0.00 0.48 0.00 0.00 55.95 58.21 3hh0 s SER 61 Cb -0.29 -2.46 0.15 0.00 0.10 0.00 0.00 66.02 63.52 3hh0 s SER 61 CO 0.35 -0.23 1.46 0.18 0.98 0.00 0.00 173.24 175.98 3hh0 n LEU 62 N -0.28 -0.71 -0.06 2.42 4.32 -1.26 -0.63 117.00 120.80 3hh0 n LEU 62 Ca 0.04 1.65 -0.07 0.00 -0.02 0.00 0.00 56.01 57.61 3hh0 n LEU 62 Cb 0.53 -0.34 -0.01 0.00 -1.62 0.00 0.00 43.42 41.98 3hh0 n LEU 62 CO 0.40 -1.45 0.77 1.23 -1.22 0.00 0.00 177.39 177.13 3hh0 h GLY 63 N 0.00 0.10 0.56 -0.72 0.00 -2.01 -0.95 103.07 100.05 3hh0 h GLY 63 Ca 0.28 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.87 3hh0 h GLY 63 CO -0.92 -0.15 0.59 0.83 0.00 0.00 0.00 176.54 176.89 3hh0 h GLU 64 N -0.09 0.96 -0.56 4.80 5.08 -1.25 -2.27 114.58 121.25 3hh0 h GLU 64 Ca 0.14 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3hh0 h GLU 64 Cb 0.30 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3hh0 h GLU 64 CO -0.32 0.63 0.37 0.82 -1.00 0.00 0.00 179.01 179.51 3hh0 h ILE 65 N 0.99 1.13 -0.63 3.13 2.04 0.30 0.24 117.51 124.71 3hh0 h ILE 65 Ca 0.45 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 66.07 3hh0 h ILE 65 Cb 0.37 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3hh0 h ILE 65 CO -0.24 0.14 0.41 -0.61 0.00 0.00 0.00 178.15 177.85 3hh0 h GLN 66 N 0.74 0.82 -0.46 2.37 4.15 -0.74 -1.35 115.11 120.64 3hh0 h GLN 66 Ca 0.21 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3hh0 h GLN 66 Cb -0.07 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 3hh0 h GLN 66 CO -0.05 0.54 0.26 -0.97 -1.93 0.00 0.00 178.83 176.68 3hh0 h ASN 67 N 0.84 0.57 -0.09 -0.69 -1.24 -1.09 -1.42 115.58 112.46 3hh0 h ASN 67 Ca 0.24 -0.08 0.04 0.00 0.71 0.00 0.00 56.30 57.21 3hh0 h ASN 67 Cb -0.08 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 38.78 3hh0 h ASN 67 CO -0.06 0.48 -0.25 0.40 -1.29 0.00 0.00 177.43 176.71 3hh0 h ILE 68 N 0.61 0.42 -0.03 2.57 1.08 -0.15 -1.13 117.51 120.87 3hh0 h ILE 68 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 3hh0 h ILE 68 Cb 0.03 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3hh0 h ILE 68 CO -0.03 0.00 0.02 0.40 -0.69 0.00 0.00 178.15 177.85 3hh0 h ILE 69 N -0.33 1.02 -0.11 -0.67 2.04 -1.11 -2.64 117.51 115.71 3hh0 h ILE 69 Ca 0.09 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3hh0 h ILE 69 Cb 0.46 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3hh0 h ILE 69 CO -0.28 0.02 0.08 -0.07 0.00 0.00 0.00 178.15 177.89 3hh0 h LEU 70 N 0.03 0.08 -1.33 1.44 4.07 -1.08 -0.53 115.31 117.98 3hh0 h LEU 70 Ca 0.01 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 3hh0 h LEU 70 Cb 0.02 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3hh0 h LEU 70 CO -0.00 0.06 -0.31 -0.61 -1.08 0.00 0.00 178.44 176.49 3hh0 h GLN 71 N 0.09 0.00 0.00 1.13 5.75 -0.85 -3.46 115.11 117.77 3hh0 h GLN 71 Ca 0.05 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3hh0 h GLN 71 Cb 0.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3hh0 h GLN 71 CO -0.01 0.31 0.00 0.54 -2.65 0.00 0.00 178.83 177.02 3hh0 n ARG 72 N -3.84 0.00 -3.75 1.69 1.74 -0.21 -4.76 116.66 107.53 3hh0 n ARG 72 Ca -0.01 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.94 3hh0 n ARG 72 Cb 0.39 -0.16 -0.10 0.00 -1.02 0.00 0.00 32.46 31.57 3hh0 n ARG 72 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3hh0 s ASP 73 N 0.00 -0.37 0.12 0.55 -4.77 -1.26 -5.03 116.67 105.91 3hh0 s ASP 73 Ca 0.00 0.70 0.08 0.00 -3.30 0.00 0.00 52.55 50.03 3hh0 s ASP 73 Cb 0.00 0.72 -0.04 0.00 -1.09 0.00 0.00 42.92 42.51 3hh0 s ASP 73 CO 0.00 -0.13 -0.20 0.27 0.70 0.00 0.00 175.17 175.81 3hh0 s ILE 74 N 0.15 1.71 -0.10 2.11 -4.36 -1.26 -5.09 121.20 114.38 3hh0 s ILE 74 Ca -0.00 -1.66 -0.32 0.00 -0.26 0.00 0.00 60.65 58.41 3hh0 s ILE 74 Cb -0.03 -1.63 -0.10 0.00 1.25 0.00 0.00 42.46 41.96 3hh0 s ILE 74 CO 0.01 -0.15 1.98 1.21 0.24 0.00 0.00 174.94 178.22 3hh0 n GLU 75 N 0.83 2.25 -0.24 0.37 2.13 -1.26 -4.86 120.64 119.86 3hh0 n GLU 75 Ca -0.18 0.79 -0.00 0.00 0.66 0.00 0.00 57.16 58.43 3hh0 n GLU 75 Cb 0.55 -2.81 0.11 0.00 0.27 0.00 0.00 31.44 29.56 3hh0 n GLU 75 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3hh0 h THR 76 N 5.87 0.91 0.01 6.31 2.02 -1.99 -2.47 112.91 123.58 3hh0 h THR 76 Ca -0.46 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.52 3hh0 h THR 76 Cb 1.26 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3hh0 h THR 76 CO 0.95 0.12 -0.22 -0.08 0.37 0.00 0.00 175.52 176.66 3hh0 h GLU 77 N 0.64 -0.35 -0.29 6.66 4.81 -1.99 -0.20 114.58 123.87 3hh0 h GLU 77 Ca 0.32 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3hh0 h GLU 77 Cb 0.27 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3hh0 h GLU 77 CO -0.22 -0.23 0.05 0.28 -0.73 0.00 0.00 179.01 178.16 3hh0 h VAL 78 N -0.36 1.23 -0.03 0.32 2.07 -1.95 -2.75 116.25 114.79 3hh0 h VAL 78 Ca 0.06 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3hh0 h VAL 78 Cb 0.43 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3hh0 h VAL 78 CO -0.19 0.26 -0.34 0.15 0.02 0.00 0.00 177.57 177.46 3hh0 h PHE 79 N 0.29 -0.95 0.00 1.57 3.57 -1.19 -0.13 116.94 120.10 3hh0 h PHE 79 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3hh0 h PHE 79 Cb 0.34 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.50 3hh0 h PHE 79 CO 0.02 -0.43 0.00 -0.07 -2.23 0.00 0.00 178.31 175.60 3hh0 h LEU 80 N -0.48 0.00 -0.13 0.59 3.38 -1.05 -0.67 115.31 116.95 3hh0 h LEU 80 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 3hh0 h LEU 80 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hh0 h LEU 80 CO -0.30 0.00 -0.98 -0.09 0.09 0.00 0.00 178.44 177.17 3hh0 h ARG 81 N 0.00 0.43 -1.24 1.13 2.43 -0.75 -1.22 114.38 115.16 3hh0 h ARG 81 Ca 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hh0 h ARG 81 Cb 0.12 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hh0 h ARG 81 CO 0.00 1.14 0.00 1.04 -1.51 0.00 0.00 179.97 180.64 3hh0 n GLN 82 N -3.74 0.63 0.00 0.20 6.02 -0.26 -2.11 117.38 118.11 3hh0 n GLN 82 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3hh0 n GLN 82 Cb 0.86 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.90 3hh0 n GLN 82 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3hh0 n HIS 84 N 0.60 0.00 0.16 1.08 -0.00 -0.46 -1.36 115.22 115.23 3hh0 n HIS 84 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 3hh0 n HIS 84 Cb 0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.20 3hh0 n HIS 84 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 3hh0 h PHE 85 N 0.00 -0.41 -0.50 1.57 3.57 -1.69 -2.55 116.94 116.93 3hh0 h PHE 85 Ca 0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 3hh0 h PHE 85 Cb 0.00 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3hh0 h PHE 85 CO 0.00 -0.07 0.37 0.37 -2.23 0.00 0.00 178.31 176.75 3hh0 h GLN 86 N -0.82 0.00 -0.48 1.11 5.75 -1.51 0.24 115.11 119.40 3hh0 h GLN 86 Ca -0.04 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 3hh0 h GLN 86 Cb 0.52 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 3hh0 h GLN 86 CO 0.07 0.00 0.04 -0.09 -2.65 0.00 0.00 178.83 176.20 3hh0 h ARG 87 N 0.00 0.82 -0.44 1.69 2.43 -1.76 0.14 114.38 117.26 3hh0 h ARG 87 Ca 0.24 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3hh0 h ARG 87 Cb 0.98 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3hh0 h ARG 87 CO -0.00 0.85 -0.16 0.93 -1.51 0.00 0.00 179.97 180.08 3hh0 h GLU 88 N 0.68 0.84 -0.41 0.20 4.39 -0.21 0.13 114.58 120.19 3hh0 h GLU 88 Ca 0.14 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3hh0 h GLU 88 Cb 0.46 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3hh0 h GLU 88 CO 0.02 0.94 0.22 0.28 -1.16 0.00 0.00 179.01 179.31 3hh0 h VAL 89 N 0.74 1.16 -0.50 3.13 2.07 -0.71 -0.76 116.25 121.38 3hh0 h VAL 89 Ca 0.11 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3hh0 h VAL 89 Cb 0.67 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3hh0 h VAL 89 CO 0.05 0.16 -0.03 -0.07 0.02 0.00 0.00 177.57 177.70 3hh0 h LEU 90 N 0.54 0.89 -1.62 2.57 3.38 -0.49 -2.11 115.31 118.48 3hh0 h LEU 90 Ca 0.15 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3hh0 h LEU 90 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hh0 h LEU 90 CO -0.02 1.00 -0.15 -0.07 0.09 0.00 0.00 178.44 179.28 3hh0 h LEU 91 N 0.76 0.04 -0.34 1.67 3.38 -0.75 0.94 115.31 121.02 3hh0 h LEU 91 Ca 0.14 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 3hh0 h LEU 91 Cb 0.56 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hh0 h LEU 91 CO 0.03 0.21 -0.59 0.00 0.09 0.00 0.00 178.44 178.18 3hh0 h ALA 92 N 1.80 0.51 -0.49 1.53 0.00 -0.82 -2.28 119.26 119.52 3hh0 h ALA 92 Ca 0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 3hh0 h ALA 92 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hh0 h ALA 92 CO 0.02 0.69 -0.21 1.49 0.00 0.00 0.00 179.25 181.23 3hh0 h GLU 93 N 0.58 1.00 -0.86 0.00 4.57 -0.77 -1.16 114.58 117.93 3hh0 h GLU 93 Ca 0.00 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 57.73 3hh0 h GLU 93 Cb 1.18 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 3hh0 h GLU 93 CO 0.12 1.11 0.44 0.37 -1.18 0.00 0.00 179.01 179.87 3hh0 h GLN 94 N 0.86 1.22 0.00 1.92 4.15 -0.74 -0.42 115.11 122.10 3hh0 h GLN 94 Ca 0.11 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 3hh0 h GLN 94 Cb 0.80 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 3hh0 h GLN 94 CO 0.07 0.92 -0.55 0.93 -1.93 0.00 0.00 178.83 178.27 3hh0 h GLU 95 N 1.22 0.00 -0.04 1.69 4.39 -1.27 -2.62 114.58 117.94 3hh0 h GLU 95 Ca 0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 3hh0 h GLU 95 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3hh0 h GLU 95 CO -0.04 0.55 0.00 -0.09 -1.16 0.00 0.00 179.01 178.27 3hh0 h ARG 96 N 0.00 0.07 -0.84 2.33 1.12 -0.59 -2.17 114.38 114.29 3hh0 h ARG 96 Ca -0.01 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 3hh0 h ARG 96 Cb 1.30 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.21 3hh0 h ARG 96 CO 0.07 0.34 0.49 0.82 -3.11 0.00 0.00 179.97 178.58 3hh0 h ILE 97 N -0.20 1.24 -0.65 1.20 1.08 -1.08 -0.19 117.51 118.91 3hh0 h ILE 97 Ca 0.01 -0.54 0.06 0.00 -0.39 0.00 0.00 64.86 64.00 3hh0 h ILE 97 Cb 0.30 0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.06 3hh0 h ILE 97 CO 0.00 0.26 0.36 0.00 -0.69 0.00 0.00 178.15 178.07 3hh0 h ALA 98 N 1.37 0.87 -0.01 1.87 0.00 -1.28 0.19 119.26 122.27 3hh0 h ALA 98 Ca 0.30 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hh0 h ALA 98 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hh0 h ALA 98 CO -0.05 0.03 -0.00 0.87 0.00 0.00 0.00 179.25 180.10 3hh0 h LYS 99 N 0.66 0.01 -0.75 0.00 1.57 -0.69 -2.62 116.57 114.75 3hh0 h LYS 99 Ca 0.29 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 3hh0 h LYS 99 Cb 0.18 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 3hh0 h LYS 99 CO -0.18 0.38 0.40 0.28 -0.57 0.00 0.00 179.45 179.77 3hh0 h VAL 100 N -0.36 0.88 -0.40 0.50 2.07 -0.59 -0.83 116.25 117.51 3hh0 h VAL 100 Ca 0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3hh0 h VAL 100 Cb 0.38 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3hh0 h VAL 100 CO 0.00 0.12 0.17 -0.07 0.02 0.00 0.00 177.57 177.81 3hh0 h LEU 101 N 0.68 0.55 -1.03 2.57 3.38 -0.62 -2.74 115.31 118.11 3hh0 h LEU 101 Ca 0.37 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3hh0 h LEU 101 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hh0 h LEU 101 CO -0.25 0.55 -0.31 0.77 0.09 0.00 0.00 178.44 179.29 3hh0 h SER 102 N 0.50 0.32 0.00 -0.43 4.64 -1.11 -1.05 113.55 116.43 3hh0 h SER 102 Ca 0.13 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hh0 h SER 102 Cb 0.17 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hh0 h SER 102 CO -0.01 0.62 0.00 1.41 -0.87 0.00 0.00 176.83 177.98 3hh0 n HIS 103 N -4.10 0.00 0.00 4.77 8.25 -0.35 -1.87 115.22 121.92 3hh0 n HIS 103 Ca -0.01 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3hh0 n HIS 103 Cb 0.41 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.41 3hh0 n HIS 103 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hh0 n ASP 105 N 0.67 0.00 -0.15 0.41 8.00 -0.40 -4.59 116.55 120.49 3hh0 n ASP 105 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3hh0 n ASP 105 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3hh0 n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hh0 n GLU 106 N 0.00 0.14 0.00 -1.24 -0.58 -0.78 -1.28 120.64 116.91 3hh0 n GLU 106 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hh0 n GLU 106 Cb 0.00 -1.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3hh0 n GLU 106 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3hh0 n THR 108 N -0.23 0.00 0.03 2.62 -1.04 -1.26 -1.67 114.28 112.73 3hh0 n THR 108 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3hh0 n THR 108 Cb 0.01 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 68.76 3hh0 n THR 108 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3hh0 h LYS 109 N 0.00 0.43 -0.21 -2.82 1.57 -1.59 -2.24 116.57 111.71 3hh0 h LYS 109 Ca 0.00 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 3hh0 h LYS 109 Cb 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hh0 h LYS 109 CO 0.00 0.63 -0.22 0.87 -0.57 0.00 0.00 179.45 180.15 3hh0 h LYS 110 N 0.39 0.53 -0.07 3.15 1.57 -1.57 -3.22 116.57 117.34 3hh0 h LYS 110 Ca 0.06 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3hh0 h LYS 110 Cb 0.59 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3hh0 h LYS 110 CO 0.04 0.87 0.00 1.19 -0.57 0.00 0.00 179.45 180.98 3hh0 n PHE 111 N -4.40 0.07 -0.25 -1.35 3.01 -1.22 -4.44 117.46 108.88 3hh0 n PHE 111 Ca -0.05 -0.04 0.06 0.00 1.01 0.00 0.00 57.45 58.43 3hh0 n PHE 111 Cb 0.42 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.08 3hh0 n PHE 111 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3hh0 h GLN 112 N 2.59 0.34 -0.48 -1.08 4.15 -1.41 -2.50 115.11 116.72 3hh0 h GLN 112 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3hh0 h GLN 112 Cb 0.55 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3hh0 h GLN 112 CO 0.00 0.23 0.00 1.63 -1.93 0.00 0.00 178.83 178.76 3hh0 n LYS 113 N -5.08 2.17 -3.02 1.69 5.02 -1.26 -4.94 118.16 112.74 3hh0 n LYS 113 Ca 0.15 -1.61 -0.29 0.00 -2.02 0.00 0.00 58.31 54.53 3hh0 n LYS 113 Cb 0.45 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3hh0 n LYS 113 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hh0 s GLU 114 N -1.49 3.70 -0.04 1.97 0.41 -0.94 -5.02 118.70 117.28 3hh0 s GLU 114 Ca 0.30 0.26 -0.22 0.00 -0.41 0.00 0.00 54.97 54.90 3hh0 s GLU 114 Cb 0.16 -2.49 -0.16 0.00 -1.78 0.00 0.00 34.13 29.86 3hh0 s GLU 114 CO 0.19 0.04 0.94 0.93 -0.49 0.00 0.00 175.26 176.87 3hh0 h GLU 115 N 1.31 -0.21 -6.62 1.61 5.08 -1.92 -3.45 114.58 110.38 3hh0 h GLU 115 Ca -0.47 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.25 3hh0 h GLU 115 Cb 1.19 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 3hh0 h GLU 115 CO 0.64 0.22 -0.80 1.03 -1.00 0.00 0.00 179.01 179.10 3hh0 s ARG 116 N -3.59 1.65 -0.38 2.33 1.81 -1.26 -5.10 118.95 114.41 3hh0 s ARG 116 Ca -0.13 -1.42 -0.12 0.00 -1.72 0.00 0.00 55.73 52.34 3hh0 s ARG 116 Cb 0.01 -1.95 0.02 0.00 -0.45 0.00 0.00 34.95 32.58 3hh0 s ARG 116 CO 0.50 0.42 0.23 0.08 -0.68 0.00 0.00 175.30 175.86 3hh0 s VAL 117 N -1.56 4.87 -0.36 3.52 1.01 -1.26 -5.04 120.40 121.58 3hh0 s VAL 117 Ca 0.21 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3hh0 s VAL 117 Cb -0.09 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3hh0 s VAL 117 CO 0.11 -0.20 1.30 0.21 0.00 0.00 0.00 175.10 176.52 3hh0 s ASN 118 N 1.62 6.57 0.18 3.32 3.84 -1.26 -4.90 114.94 124.31 3hh0 s ASN 118 Ca 0.04 0.98 -0.15 0.00 0.21 0.00 0.00 52.86 53.94 3hh0 s ASN 118 Cb -0.19 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.13 3hh0 s ASN 118 CO 0.08 -1.20 1.67 0.58 -2.79 0.00 0.00 177.10 175.44 3hh0 h VAL 119 N 6.14 0.59 -0.71 -5.21 2.07 -1.99 0.36 116.25 117.50 3hh0 h VAL 119 Ca -0.26 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3hh0 h VAL 119 Cb 1.09 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3hh0 h VAL 119 CO 1.06 0.01 0.44 0.00 0.02 0.00 0.00 177.57 179.11 3hh0 h ALA 120 N 1.44 0.94 -0.15 1.67 0.00 -1.99 -1.25 119.26 119.92 3hh0 h ALA 120 Ca 0.23 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3hh0 h ALA 120 Cb 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hh0 h ALA 120 CO -0.43 0.21 -0.15 1.25 0.00 0.00 0.00 179.25 180.13 3hh0 h LEU 121 N 0.86 0.39 -0.24 0.00 5.85 -1.81 -1.68 115.31 118.68 3hh0 h LEU 121 Ca 0.29 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3hh0 h LEU 121 Cb 0.05 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3hh0 h LEU 121 CO -0.12 0.79 -0.34 0.15 -0.34 0.00 0.00 178.44 178.58 3hh0 h PHE 122 N -0.01 -0.94 -0.97 1.25 3.57 -0.74 0.95 116.94 120.04 3hh0 h PHE 122 Ca 0.02 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3hh0 h PHE 122 Cb 0.68 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.80 3hh0 h PHE 122 CO 0.08 -0.40 0.62 1.03 -2.23 0.00 0.00 178.31 177.41 3hh0 h SER 123 N -0.35 0.97 -0.08 0.41 0.87 -1.23 -1.12 113.55 113.03 3hh0 h SER 123 Ca 0.12 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hh0 h SER 123 Cb 0.55 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3hh0 h SER 123 CO -0.44 0.60 0.05 -1.28 -0.53 0.00 0.00 176.83 175.23 3hh0 h SER 124 N 1.09 0.09 -0.63 6.23 0.87 -0.01 -0.01 113.55 121.19 3hh0 h SER 124 Ca 0.43 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.90 3hh0 h SER 124 Cb 0.24 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3hh0 h SER 124 CO -0.19 0.09 0.15 -0.26 -0.53 0.00 0.00 176.83 176.09 3hh0 h PHE 125 N 0.09 1.08 0.12 2.24 0.05 -0.34 -1.73 116.94 118.44 3hh0 h PHE 125 Ca 0.03 -0.12 -0.01 0.00 3.82 0.00 0.00 57.97 61.69 3hh0 h PHE 125 Cb 0.02 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 37.66 3hh0 h PHE 125 CO -0.06 0.89 -0.06 1.25 -0.18 0.00 0.00 178.31 180.15 3hh0 h LEU 126 N 0.98 -0.13 -0.74 1.54 5.85 -1.03 -2.65 115.31 119.13 3hh0 h LEU 126 Ca 0.21 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.97 3hh0 h LEU 126 Cb 0.36 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 3hh0 h LEU 126 CO 0.00 0.02 0.28 -0.61 -0.34 0.00 0.00 178.44 177.79 3hh0 h GLN 127 N -0.28 0.40 -0.05 1.25 5.75 -0.78 0.14 115.11 121.54 3hh0 h GLN 127 Ca -0.02 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3hh0 h GLN 127 Cb 0.22 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.68 3hh0 h GLN 127 CO 0.03 0.26 0.00 2.41 -2.65 0.00 0.00 178.83 178.88 3hh0 n THR 128 N -5.03 0.00 -3.15 2.39 -1.04 -0.67 -4.28 114.28 102.50 3hh0 n THR 128 Ca 0.14 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.70 3hh0 n THR 128 Cb 0.41 -0.31 -0.01 0.00 -1.82 0.00 0.00 70.33 68.60 3hh0 n THR 128 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3hh0 s PHE 129 N -1.70 3.82 0.00 -1.42 2.99 0.49 -5.07 117.98 117.09 3hh0 s PHE 129 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 56.93 54.66 3hh0 s PHE 129 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 43.02 38.97 3hh0 s PHE 129 CO 0.00 -1.17 0.00 0.44 -0.00 0.00 0.00 175.22 174.49