#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh0 s ALA 2 N 0.00 0.39 0.03 1.47 0.00 -1.26 -4.99 121.76 117.39 3hh0 s ALA 2 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3hh0 s ALA 2 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3hh0 s ALA 2 CO 0.00 -3.38 -0.03 -1.58 0.00 0.00 0.00 175.76 170.77 3hh0 s TRP 3 N -2.82 2.98 0.71 0.00 0.51 0.07 -4.88 118.94 115.51 3hh0 s TRP 3 Ca 0.67 0.01 -0.11 0.00 -2.12 0.00 0.00 56.10 54.55 3hh0 s TRP 3 Cb -0.18 -1.61 0.02 0.00 -0.81 0.00 0.00 33.47 30.89 3hh0 s TRP 3 CO 0.59 0.44 1.07 -0.51 -0.51 0.00 0.00 176.95 178.03 3hh0 s LEU 4 N -1.73 2.97 0.16 2.99 1.43 -1.26 -1.33 118.68 121.91 3hh0 s LEU 4 Ca 0.20 1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 54.57 3hh0 s LEU 4 Cb -0.11 -4.26 0.07 0.00 0.03 0.00 0.00 46.19 41.92 3hh0 s LEU 4 CO 0.11 -1.48 1.68 -0.29 0.23 0.00 0.00 176.35 176.60 3hh0 h ILE 5 N -0.75 0.66 -0.53 -0.59 6.09 -1.99 -0.66 117.51 119.74 3hh0 h ILE 5 Ca -0.45 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.03 3hh0 h ILE 5 Cb 1.23 0.64 -0.03 0.00 0.47 0.00 0.00 36.82 39.13 3hh0 h ILE 5 CO 0.59 0.00 0.30 0.77 -3.07 0.00 0.00 178.15 176.75 3hh0 h SER 6 N 0.02 0.63 0.00 2.19 4.64 -1.99 -1.58 113.55 117.46 3hh0 h SER 6 Ca 0.17 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hh0 h SER 6 Cb 0.26 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3hh0 h SER 6 CO -0.35 0.50 -0.00 -0.33 -0.87 0.00 0.00 176.83 175.77 3hh0 h GLU 7 N 0.73 -0.01 -0.86 4.77 5.08 -1.67 -2.61 114.58 120.01 3hh0 h GLU 7 Ca 0.19 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 3hh0 h GLU 7 Cb -0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 3hh0 h GLU 7 CO -0.03 0.33 0.50 0.35 -1.00 0.00 0.00 179.01 179.16 3hh0 h PHE 8 N -0.34 0.91 -0.08 4.33 3.57 -0.81 -0.02 116.94 124.50 3hh0 h PHE 8 Ca -0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3hh0 h PHE 8 Cb 0.34 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3hh0 h PHE 8 CO 0.04 0.37 -0.05 0.00 -2.23 0.00 0.00 178.31 176.44 3hh0 h ALA 9 N 1.47 0.01 -0.32 2.41 0.00 -1.22 0.61 119.26 122.23 3hh0 h ALA 9 Ca 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3hh0 h ALA 9 Cb 0.38 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hh0 h ALA 9 CO -0.25 -0.52 0.17 1.03 0.00 0.00 0.00 179.25 179.68 3hh0 h SER 10 N -0.06 0.40 0.23 0.00 0.87 -0.99 0.28 113.55 114.28 3hh0 h SER 10 Ca 0.05 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3hh0 h SER 10 Cb 0.13 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3hh0 h SER 10 CO -0.11 0.38 -0.24 0.58 -0.53 0.00 0.00 176.83 176.91 3hh0 h VAL 11 N 0.39 0.47 -0.27 2.23 2.07 -0.61 -2.99 116.25 117.54 3hh0 h VAL 11 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3hh0 h VAL 11 Cb 0.07 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3hh0 h VAL 11 CO -0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.18 3hh0 n GLY 12 N -1.37 0.78 3.65 2.17 0.00 0.17 -4.96 105.19 105.63 3hh0 n GLY 12 Ca -0.08 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 3hh0 n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hh0 n ASP 13 N 0.70 -3.52 -4.17 1.61 2.03 0.87 -5.02 116.55 109.06 3hh0 n ASP 13 Ca 0.17 -0.90 -0.21 0.00 0.52 0.00 0.00 54.79 54.37 3hh0 n ASP 13 Cb 0.41 -3.87 -0.13 0.00 -0.72 0.00 0.00 41.12 36.81 3hh0 n ASP 13 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3hh0 s VAL 14 N -3.58 1.24 0.62 5.18 1.01 -0.59 -5.04 120.40 119.26 3hh0 s VAL 14 Ca 0.26 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 3hh0 s VAL 14 Cb -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3hh0 s VAL 14 CO 0.83 0.01 1.04 0.42 0.00 0.00 0.00 175.10 177.40 3hh0 s THR 15 N -0.91 4.18 0.19 3.92 -4.23 -1.26 -4.41 115.64 113.12 3hh0 s THR 15 Ca 0.02 0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 61.29 3hh0 s THR 15 Cb -0.08 -3.54 0.11 0.00 1.34 0.00 0.00 72.50 70.33 3hh0 s THR 15 CO 0.02 -0.79 1.74 0.58 -0.54 0.00 0.00 174.62 175.63 3hh0 h VAL 16 N -0.06 1.25 -0.59 2.29 2.07 -1.95 -2.05 116.25 117.21 3hh0 h VAL 16 Ca -0.45 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.33 3hh0 h VAL 16 Cb 1.20 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3hh0 h VAL 16 CO 0.59 0.32 0.24 -0.09 0.02 0.00 0.00 177.57 178.65 3hh0 h ARG 17 N 1.01 0.43 -0.03 1.57 2.43 -1.99 0.23 114.38 118.02 3hh0 h ARG 17 Ca 0.23 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3hh0 h ARG 17 Cb 0.24 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hh0 h ARG 17 CO -0.01 0.29 -0.23 0.00 -1.51 0.00 0.00 179.97 178.50 3hh0 h ALA 18 N 1.38 1.57 -0.12 2.80 0.00 -1.79 -0.80 119.26 122.29 3hh0 h ALA 18 Ca 0.29 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3hh0 h ALA 18 Cb 0.31 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hh0 h ALA 18 CO -0.26 0.32 -0.64 -0.07 0.00 0.00 0.00 179.25 178.60 3hh0 h LEU 19 N 0.04 0.77 -0.78 0.00 3.38 -0.41 -0.27 115.31 118.03 3hh0 h LEU 19 Ca 0.01 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 3hh0 h LEU 19 Cb 0.43 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3hh0 h LEU 19 CO 0.03 1.29 0.41 0.03 0.09 0.00 0.00 178.44 180.29 3hh0 h ARG 20 N 0.31 1.11 0.62 1.13 2.47 -0.77 -0.21 114.38 119.04 3hh0 h ARG 20 Ca -0.05 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.50 3hh0 h ARG 20 Cb 1.28 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 29.40 3hh0 h ARG 20 CO 0.13 0.84 -0.30 -0.92 0.56 0.00 0.00 179.97 180.28 3hh0 h TYR 21 N 1.10 -0.78 -0.62 3.04 3.20 -1.06 0.70 116.97 122.56 3hh0 h TYR 21 Ca 0.27 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.17 3hh0 h TYR 21 Cb 0.07 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3hh0 h TYR 21 CO 0.01 -0.48 0.41 1.88 -1.64 0.00 0.00 178.16 178.34 3hh0 h TYR 22 N -0.85 0.65 -0.18 -3.82 0.05 -0.81 -0.43 116.97 111.58 3hh0 h TYR 22 Ca -0.09 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.57 3hh0 h TYR 22 Cb 0.65 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3hh0 h TYR 22 CO -0.03 0.36 -0.48 0.22 -1.05 0.00 0.00 178.16 177.19 3hh0 h ASP 23 N 0.66 0.51 -0.32 3.88 -0.00 -0.78 0.42 116.42 120.79 3hh0 h ASP 23 Ca 0.26 -0.24 -0.11 0.00 -0.00 0.00 0.00 57.03 56.93 3hh0 h ASP 23 Cb 0.19 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.37 3hh0 h ASP 23 CO -0.07 0.90 -0.23 0.50 -0.00 0.00 0.00 179.24 180.34 3hh0 h LYS 24 N 0.37 0.72 -0.27 0.28 3.64 0.72 -2.76 116.57 119.28 3hh0 h LYS 24 Ca 0.02 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3hh0 h LYS 24 Cb 0.98 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3hh0 h LYS 24 CO 0.09 0.96 0.00 0.44 -2.27 0.00 0.00 179.45 178.67 3hh0 n ILE 25 N -4.29 0.36 -2.92 2.00 -5.35 -0.53 -4.90 119.36 103.73 3hh0 n ILE 25 Ca -0.03 -0.37 -0.20 0.00 -0.27 0.00 0.00 62.75 61.88 3hh0 n ILE 25 Cb 0.44 0.20 0.03 0.00 -1.74 0.00 0.00 39.64 38.57 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 0.32 -5.63 0.03 7.28 4.05 -0.99 -4.90 115.26 115.42 3hh0 n ASN 26 Ca 0.10 -0.25 0.03 0.00 0.45 0.00 0.00 54.58 54.91 3hh0 n ASN 26 Cb 0.25 -4.46 -0.08 0.00 1.23 0.00 0.00 39.78 36.71 3hh0 n ASN 26 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3hh0 n LEU 27 N -3.59 0.70 -3.15 1.20 7.94 0.14 -4.83 117.00 115.42 3hh0 n LEU 27 Ca -0.10 0.30 0.04 0.00 -1.11 0.00 0.00 56.01 55.14 3hh0 n LEU 27 Cb 0.61 0.07 -0.01 0.00 0.53 0.00 0.00 43.42 44.63 3hh0 n LEU 27 CO 0.42 0.09 0.22 -0.22 -1.11 0.00 0.00 177.39 176.79 3hh0 s LEU 28 N -5.54 -1.29 -0.08 -1.96 2.96 -0.92 -5.00 118.68 106.86 3hh0 s LEU 28 Ca -0.04 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 3hh0 s LEU 28 Cb 0.09 2.01 -0.03 0.00 0.50 0.00 0.00 46.19 48.76 3hh0 s LEU 28 CO 0.82 -0.24 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.98 3hh0 s LYS 29 N 2.87 2.87 0.39 1.98 -0.14 -1.26 -2.62 119.74 123.83 3hh0 s LYS 29 Ca 0.16 -0.59 -0.27 0.00 -1.36 0.00 0.00 55.97 53.91 3hh0 s LYS 29 Cb -0.13 -2.59 -0.10 0.00 -1.68 0.00 0.00 37.83 33.34 3hh0 s LYS 29 CO -0.21 0.56 1.43 -1.25 -0.76 0.00 0.00 175.35 175.12 3hh0 s PRO 30 N -0.54 4.02 0.05 -1.68 0.04 -1.26 -4.93 135.00 130.70 3hh0 s PRO 30 Ca 0.08 2.44 -0.05 0.00 0.04 0.00 0.00 61.00 63.51 3hh0 s PRO 30 Cb -0.12 -2.88 -0.29 0.00 0.04 0.00 0.00 34.50 31.26 3hh0 s PRO 30 CO 0.02 -0.56 1.05 0.77 0.04 0.00 0.00 177.00 178.32 3hh0 h SER 31 N 2.84 0.45 -4.46 6.66 0.02 -1.87 -3.48 113.55 113.70 3hh0 h SER 31 Ca -0.50 -0.51 -0.49 0.00 -0.84 0.00 0.00 61.79 59.44 3hh0 h SER 31 Cb 1.25 -0.15 0.09 0.00 0.14 0.00 0.00 62.40 63.72 3hh0 h SER 31 CO 0.63 1.41 0.40 -1.81 -1.14 0.00 0.00 176.83 176.32 3hh0 s ASP 32 N -7.13 5.21 -0.23 3.07 1.11 -0.95 -5.06 116.67 112.68 3hh0 s ASP 32 Ca -0.06 1.12 -0.18 0.00 0.18 0.00 0.00 52.55 53.61 3hh0 s ASP 32 Cb 0.07 -1.88 0.06 0.00 1.07 0.00 0.00 42.92 42.24 3hh0 s ASP 32 CO 0.88 -1.49 0.60 -0.31 1.18 0.00 0.00 175.17 176.03 3hh0 s TYR 33 N -3.35 -0.75 0.00 4.23 2.02 -1.26 -4.55 117.35 113.69 3hh0 s TYR 33 Ca 0.59 1.70 0.00 0.00 -0.37 0.00 0.00 57.07 58.99 3hh0 s TYR 33 Cb -0.11 0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.77 3hh0 s TYR 33 CO 0.52 -0.37 0.00 0.25 -1.57 0.00 0.00 175.55 174.38 3hh0 n THR 34 N 3.29 0.00 -4.14 -0.71 -2.24 -1.13 -5.07 114.28 104.28 3hh0 n THR 34 Ca -0.16 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3hh0 n THR 34 Cb 0.56 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 3hh0 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hh0 s GLU 35 N 1.01 1.34 -0.68 -0.78 8.01 -1.26 -4.80 118.70 121.54 3hh0 s GLU 35 Ca 0.00 -1.54 -0.00 0.00 0.01 0.00 0.00 54.97 53.44 3hh0 s GLU 35 Cb 0.00 0.34 0.00 0.00 -4.31 0.00 0.00 34.13 30.16 3hh0 s GLU 35 CO 0.00 -0.49 0.01 0.41 0.01 0.00 0.00 175.26 175.20 3hh0 n GLY 36 N -0.32 -0.50 7.00 -1.39 0.00 -1.26 -4.38 105.19 104.34 3hh0 n GLY 36 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3hh0 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hh0 n GLY 37 N -0.70 0.39 0.07 -0.02 0.00 -1.26 -5.06 105.19 98.62 3hh0 n GLY 37 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3hh0 n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hh0 n HIS 38 N 12.04 0.00 0.00 1.61 -0.00 -1.26 -2.85 115.22 124.75 3hh0 n HIS 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3hh0 n HIS 38 Cb 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 3hh0 n HIS 38 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3hh0 n ARG 39 N 1.64 0.00 -1.33 -0.41 5.12 -1.26 -4.22 116.66 116.20 3hh0 n ARG 39 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hh0 n ARG 39 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3hh0 n ARG 39 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hh0 n LEU 40 N 0.00 -3.30 -4.93 0.55 4.77 -1.24 -4.06 117.00 108.80 3hh0 n LEU 40 Ca 0.00 0.82 -0.28 0.00 -0.03 0.00 0.00 56.01 56.53 3hh0 n LEU 40 Cb 0.00 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 39.42 3hh0 n LEU 40 CO 0.00 -0.79 0.02 -0.31 -1.33 0.00 0.00 177.39 174.98 3hh0 s TYR 41 N -0.17 3.48 0.51 -1.77 2.02 -0.44 -2.25 117.35 118.73 3hh0 s TYR 41 Ca 0.00 0.34 0.03 0.00 -0.37 0.00 0.00 57.07 57.08 3hh0 s TYR 41 Cb 0.00 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.71 3hh0 s TYR 41 CO 0.00 0.39 0.15 0.95 -1.57 0.00 0.00 175.55 175.46 3hh0 s THR 42 N -1.85 1.45 0.35 -0.71 -4.23 -1.26 -0.75 115.64 108.64 3hh0 s THR 42 Ca 0.38 -1.81 0.26 0.00 -1.18 0.00 0.00 61.69 59.34 3hh0 s THR 42 Cb -0.11 -2.26 0.27 0.00 1.34 0.00 0.00 72.50 71.73 3hh0 s THR 42 CO 0.29 0.00 2.00 0.50 -0.54 0.00 0.00 174.62 176.87 3hh0 h LYS 43 N 1.18 0.00 -0.04 3.99 3.64 -2.00 -1.18 116.57 122.16 3hh0 h LYS 43 Ca -0.42 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.79 3hh0 h LYS 43 Cb 1.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3hh0 h LYS 43 CO 0.69 0.16 -0.75 -0.44 -2.27 0.00 0.00 179.45 176.83 3hh0 h ASP 44 N 0.00 0.32 -0.51 4.20 3.32 -2.01 -2.99 116.42 118.75 3hh0 h ASP 44 Ca -0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 3hh0 h ASP 44 Cb 0.44 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3hh0 h ASP 44 CO 0.02 0.96 0.11 0.44 -1.72 0.00 0.00 179.24 179.05 3hh0 h ASP 45 N 0.17 0.83 -0.69 6.45 3.32 -1.62 -2.71 116.42 122.18 3hh0 h ASP 45 Ca -0.03 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3hh0 h ASP 45 Cb 1.33 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3hh0 h ASP 45 CO 0.12 0.83 0.39 0.25 -1.72 0.00 0.00 179.24 179.11 3hh0 h LEU 46 N 0.85 0.85 -0.74 1.55 5.85 -1.30 0.72 115.31 123.09 3hh0 h LEU 46 Ca 0.18 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hh0 h LEU 46 Cb 0.34 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3hh0 h LEU 46 CO 0.00 0.69 0.45 1.88 -0.34 0.00 0.00 178.44 181.13 3hh0 h TYR 47 N 0.94 0.96 -0.45 1.25 0.05 -1.39 0.38 116.97 118.72 3hh0 h TYR 47 Ca 0.24 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.92 3hh0 h TYR 47 Cb 0.02 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 3hh0 h TYR 47 CO -0.01 0.64 -0.15 0.28 -1.05 0.00 0.00 178.16 177.88 3hh0 h VAL 48 N 1.00 1.26 0.39 -2.88 2.07 -1.18 0.49 116.25 117.40 3hh0 h VAL 48 Ca 0.26 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3hh0 h VAL 48 Cb -0.04 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3hh0 h VAL 48 CO -0.05 0.43 -0.19 0.25 0.02 0.00 0.00 177.57 178.03 3hh0 h LEU 49 N 0.75 -0.44 -1.29 2.57 5.85 0.12 0.15 115.31 123.03 3hh0 h LEU 49 Ca 0.12 -0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.92 3hh0 h LEU 49 Cb 0.66 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 3hh0 h LEU 49 CO 0.05 -0.24 0.56 1.56 -0.34 0.00 0.00 178.44 180.03 3hh0 h GLN 50 N -0.61 0.70 -0.16 1.25 4.20 -0.05 0.21 115.11 120.66 3hh0 h GLN 50 Ca -0.05 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 3hh0 h GLN 50 Cb 0.45 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3hh0 h GLN 50 CO 0.09 0.47 0.09 1.96 -0.67 0.00 0.00 178.83 180.76 3hh0 h GLN 51 N 0.73 0.21 -0.68 1.46 4.20 0.60 0.08 115.11 121.71 3hh0 h GLN 51 Ca 0.43 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.17 3hh0 h GLN 51 Cb 0.62 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 3hh0 h GLN 51 CO -0.19 0.20 0.39 0.82 -0.67 0.00 0.00 178.83 179.38 3hh0 h ILE 52 N 0.17 1.00 -0.46 2.54 2.04 0.22 -1.83 117.51 121.19 3hh0 h ILE 52 Ca 0.06 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 3hh0 h ILE 52 Cb 0.04 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3hh0 h ILE 52 CO -0.01 0.13 0.06 1.56 0.00 0.00 0.00 178.15 179.89 3hh0 h GLN 53 N 0.74 0.72 -0.91 2.37 4.20 -0.64 -1.91 115.11 119.67 3hh0 h GLN 53 Ca 0.30 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3hh0 h GLN 53 Cb 0.14 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 3hh0 h GLN 53 CO -0.16 0.69 0.60 0.77 -0.67 0.00 0.00 178.83 180.07 3hh0 h SER 54 N 0.69 1.03 1.63 1.46 0.02 -0.14 -1.94 113.55 116.29 3hh0 h SER 54 Ca 0.15 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3hh0 h SER 54 Cb 0.34 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3hh0 h SER 54 CO 0.01 0.73 -0.38 -0.26 -1.14 0.00 0.00 176.83 175.79 3hh0 h PHE 55 N 1.21 0.00 -0.12 3.45 0.04 -1.13 -3.02 116.94 117.37 3hh0 h PHE 55 Ca 0.35 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.89 3hh0 h PHE 55 Cb -0.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.07 3hh0 h PHE 55 CO -0.01 0.16 -0.83 0.87 -0.60 0.00 0.00 178.31 177.90 3hh0 h LYS 56 N 0.00 0.76 -0.90 1.51 1.57 -1.09 -1.11 116.57 117.31 3hh0 h LYS 56 Ca -0.01 -0.65 0.13 0.00 -1.87 0.00 0.00 60.65 58.25 3hh0 h LYS 56 Cb 1.13 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 3hh0 h LYS 56 CO 0.02 1.26 0.51 1.25 -0.57 0.00 0.00 179.45 181.92 3hh0 h HIS 57 N 0.50 0.91 -0.00 -1.35 2.76 -1.36 0.37 115.15 116.98 3hh0 h HIS 57 Ca -0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3hh0 h HIS 57 Cb 1.46 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3hh0 h HIS 57 CO 0.09 0.29 0.00 1.28 -1.30 0.00 0.00 177.93 178.29 3hh0 n LEU 58 N -4.77 0.12 0.00 0.26 4.77 -1.12 -4.91 117.00 111.35 3hh0 n LEU 58 Ca 0.17 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3hh0 n LEU 58 Cb 0.39 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hh0 n LEU 58 CO 0.24 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3hh0 n GLY 59 N 1.01 0.76 3.82 -0.72 0.00 0.13 -4.87 105.19 105.32 3hh0 n GLY 59 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.25 3.21 0.40 1.61 0.08 -0.44 -5.00 117.98 115.59 3hh0 s PHE 60 Ca 0.00 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 58.56 3hh0 s PHE 60 Cb 0.00 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.49 3hh0 s PHE 60 CO 0.00 -0.51 0.67 -1.12 -0.10 0.00 0.00 175.22 174.16 3hh0 s SER 61 N -2.43 6.34 0.39 1.36 0.01 -1.26 -4.46 113.70 113.65 3hh0 s SER 61 Ca 0.63 0.79 0.19 0.00 1.31 0.00 0.00 55.95 58.87 3hh0 s SER 61 Cb -0.12 -2.18 1.14 0.00 0.21 0.00 0.00 66.02 65.07 3hh0 s SER 61 CO 0.23 -0.40 1.72 -0.07 0.41 0.00 0.00 173.24 175.13 3hh0 h LEU 62 N 0.81 0.44 0.56 2.44 3.38 -1.98 0.12 115.31 121.09 3hh0 h LEU 62 Ca -0.48 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3hh0 h LEU 62 Cb 1.20 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3hh0 h LEU 62 CO 0.63 0.01 -0.36 1.23 0.09 0.00 0.00 178.44 180.04 3hh0 h GLY 63 N 0.35 -0.95 0.99 0.83 0.00 -1.99 0.16 103.07 102.46 3hh0 h GLY 63 Ca 0.66 0.40 -0.00 0.00 0.00 0.00 0.00 47.33 48.39 3hh0 h GLY 63 CO -0.38 -0.34 0.30 0.83 0.00 0.00 0.00 176.54 176.95 3hh0 h GLU 64 N -0.87 0.68 -0.76 4.80 5.08 -1.43 -1.48 114.58 120.59 3hh0 h GLU 64 Ca -0.07 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3hh0 h GLU 64 Cb 0.72 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 3hh0 h GLU 64 CO 0.06 0.49 0.43 0.82 -1.00 0.00 0.00 179.01 179.81 3hh0 h ILE 65 N 0.67 0.96 -0.10 3.13 2.04 -0.94 0.36 117.51 123.63 3hh0 h ILE 65 Ca 0.18 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3hh0 h ILE 65 Cb -0.01 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 3hh0 h ILE 65 CO -0.03 0.14 -0.08 -0.61 0.00 0.00 0.00 178.15 177.57 3hh0 h GLN 66 N 0.77 -0.09 -0.02 2.37 5.75 -0.01 0.15 115.11 124.03 3hh0 h GLN 66 Ca 0.35 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.88 3hh0 h GLN 66 Cb 0.25 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3hh0 h GLN 66 CO -0.20 -0.06 -0.17 -0.91 -2.65 0.00 0.00 178.83 174.83 3hh0 h ASN 67 N -0.10 -0.51 0.13 -0.69 2.35 -0.14 -1.88 115.58 114.75 3hh0 h ASN 67 Ca 0.07 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3hh0 h ASN 67 Cb 0.19 0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3hh0 h ASN 67 CO -0.16 -0.23 -0.33 0.40 -1.65 0.00 0.00 177.43 175.46 3hh0 h ILE 68 N -0.27 0.30 -0.62 2.81 2.04 0.12 -2.72 117.51 119.17 3hh0 h ILE 68 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3hh0 h ILE 68 Cb 0.35 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3hh0 h ILE 68 CO -0.18 0.00 0.41 0.40 0.00 0.00 0.00 178.15 178.78 3hh0 h ILE 69 N -0.56 0.96 0.00 -0.67 5.03 -0.62 -2.06 117.51 119.59 3hh0 h ILE 69 Ca 0.03 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.58 3hh0 h ILE 69 Cb 0.59 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 34.74 3hh0 h ILE 69 CO -0.18 0.10 0.00 0.18 -0.68 0.00 0.00 178.15 177.57 3hh0 n LEU 70 N -4.48 0.91 -3.94 1.44 4.77 -0.71 -4.66 117.00 110.32 3hh0 n LEU 70 Ca 0.09 -0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 55.54 3hh0 n LEU 70 Cb 0.28 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3hh0 n LEU 70 CO 0.34 0.18 -0.19 -1.10 -1.33 0.00 0.00 177.39 175.29 3hh0 s GLN 71 N -0.56 0.75 -0.19 3.23 -0.21 -0.78 -5.07 119.66 116.83 3hh0 s GLN 71 Ca 0.00 -1.04 -0.20 0.00 0.02 0.00 0.00 55.36 54.14 3hh0 s GLN 71 Cb 0.00 0.29 -0.17 0.00 1.00 0.00 0.00 33.01 34.13 3hh0 s GLN 71 CO 0.00 -0.21 0.19 -0.09 -2.12 0.00 0.00 175.29 173.06 3hh0 h ARG 72 N 2.92 0.00 -5.49 2.91 9.65 -1.83 -3.48 114.38 119.07 3hh0 h ARG 72 Ca -0.34 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.04 3hh0 h ARG 72 Cb 1.18 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 29.48 3hh0 h ARG 72 CO 0.60 0.84 -0.81 -0.51 2.80 0.00 0.00 179.97 182.88 3hh0 s ASP 73 N -6.63 1.85 -0.21 -3.80 1.01 -1.26 -5.06 116.67 102.57 3hh0 s ASP 73 Ca -0.26 -0.37 0.14 0.00 0.71 0.00 0.00 52.55 52.78 3hh0 s ASP 73 Cb 0.05 -0.17 0.46 0.00 1.01 0.00 0.00 42.92 44.27 3hh0 s ASP 73 CO 0.53 0.14 1.36 0.00 0.21 0.00 0.00 175.17 177.41 3hh0 n ILE 74 N 2.33 2.28 -2.54 0.77 3.06 -1.26 -5.06 119.36 118.94 3hh0 n ILE 74 Ca -0.16 -2.35 -0.03 0.00 -2.50 0.00 0.00 62.75 57.72 3hh0 n ILE 74 Cb 0.55 -0.27 -0.02 0.00 0.54 0.00 0.00 39.64 40.43 3hh0 n ILE 74 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3hh0 n GLU 75 N -0.96 -3.79 0.00 9.51 2.13 -1.26 -4.18 120.64 122.10 3hh0 n GLU 75 Ca 0.24 2.84 0.00 0.00 0.66 0.00 0.00 57.16 60.90 3hh0 n GLU 75 Cb 0.87 -3.81 0.00 0.00 0.27 0.00 0.00 31.44 28.77 3hh0 n GLU 75 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3hh0 n THR 76 N 1.93 0.00 0.00 6.31 -1.04 -1.26 -2.30 114.28 117.92 3hh0 n THR 76 Ca -0.18 0.56 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 3hh0 n THR 76 Cb 0.29 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 3hh0 n THR 76 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3hh0 n GLU 77 N -1.41 0.00 -0.26 -2.82 0.28 -1.26 0.62 120.64 115.79 3hh0 n GLU 77 Ca 0.00 0.36 0.09 0.00 -0.16 0.00 0.00 57.16 57.45 3hh0 n GLU 77 Cb 0.00 -0.56 0.34 0.00 1.43 0.00 0.00 31.44 32.65 3hh0 n GLU 77 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3hh0 h VAL 78 N 0.00 0.93 -0.07 3.84 2.07 -1.80 -2.16 116.25 119.06 3hh0 h VAL 78 Ca 0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3hh0 h VAL 78 Cb 0.00 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3hh0 h VAL 78 CO 0.00 0.14 0.00 0.15 0.02 0.00 0.00 177.57 177.89 3hh0 h PHE 79 N 0.79 0.14 -0.87 1.57 3.57 0.61 -1.86 116.94 120.88 3hh0 h PHE 79 Ca 0.40 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.96 3hh0 h PHE 79 Cb 0.49 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 3hh0 h PHE 79 CO -0.00 0.39 0.57 -0.07 -2.23 0.00 0.00 178.31 176.97 3hh0 h LEU 80 N -0.15 0.83 -0.66 0.59 3.38 -0.05 0.23 115.31 119.48 3hh0 h LEU 80 Ca 0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hh0 h LEU 80 Cb 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hh0 h LEU 80 CO 0.00 0.52 0.28 -0.09 0.09 0.00 0.00 178.44 179.24 3hh0 h ARG 81 N 0.93 0.98 -0.02 1.13 2.43 -1.23 1.03 114.38 119.63 3hh0 h ARG 81 Ca 0.39 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3hh0 h ARG 81 Cb 0.28 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3hh0 h ARG 81 CO -0.15 0.81 0.00 1.04 -1.51 0.00 0.00 179.97 180.16 3hh0 n GLN 82 N -4.42 0.07 0.00 0.20 6.02 0.07 -0.90 117.38 118.42 3hh0 n GLN 82 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3hh0 n GLN 82 Cb 0.16 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 -0.21 0.00 0.11 1.08 -0.00 0.36 -2.55 115.22 114.01 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 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 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 -0.22 -0.31 1.57 3.57 -1.23 -2.03 116.94 118.29 3hh0 h PHE 85 Ca 0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3hh0 h PHE 85 Cb 0.00 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3hh0 h PHE 85 CO 0.00 0.00 0.24 1.96 -2.23 0.00 0.00 178.31 178.28 3hh0 h GLN 86 N -0.42 0.00 -0.39 1.11 1.08 -1.77 -0.51 115.11 114.21 3hh0 h GLN 86 Ca -0.02 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 3hh0 h GLN 86 Cb 0.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 3hh0 h GLN 86 CO 0.04 0.00 -0.14 -0.09 -0.95 0.00 0.00 178.83 177.69 3hh0 h ARG 87 N 0.00 0.78 -0.50 1.46 2.43 -1.70 -1.66 114.38 115.19 3hh0 h ARG 87 Ca 0.15 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3hh0 h ARG 87 Cb 0.62 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3hh0 h ARG 87 CO -0.00 0.94 0.05 0.93 -1.51 0.00 0.00 179.97 180.38 3hh0 h GLU 88 N 0.59 0.80 -0.73 0.20 4.39 -0.44 0.68 114.58 120.07 3hh0 h GLU 88 Ca 0.09 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3hh0 h GLU 88 Cb 0.67 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 3hh0 h GLU 88 CO 0.05 0.77 0.30 0.28 -1.16 0.00 0.00 179.01 179.25 3hh0 h VAL 89 N 0.75 1.25 -0.25 3.13 2.07 -1.16 -0.71 116.25 121.33 3hh0 h VAL 89 Ca 0.16 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3hh0 h VAL 89 Cb 0.39 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3hh0 h VAL 89 CO 0.01 0.31 -0.13 -0.07 0.02 0.00 0.00 177.57 177.72 3hh0 h LEU 90 N 1.04 0.55 -0.25 2.57 3.38 -0.72 -1.87 115.31 120.01 3hh0 h LEU 90 Ca 0.24 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hh0 h LEU 90 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hh0 h LEU 90 CO -0.02 0.84 0.16 -0.07 0.09 0.00 0.00 178.44 179.44 3hh0 h LEU 91 N 0.26 0.28 -0.77 1.67 3.38 -0.67 0.27 115.31 119.73 3hh0 h LEU 91 Ca 0.06 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3hh0 h LEU 91 Cb 0.63 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3hh0 h LEU 91 CO 0.04 0.20 0.45 0.00 0.09 0.00 0.00 178.44 179.22 3hh0 h ALA 92 N 1.09 1.06 -0.61 1.53 0.00 -1.11 -1.01 119.26 120.21 3hh0 h ALA 92 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3hh0 h ALA 92 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hh0 h ALA 92 CO -0.02 0.14 0.01 1.49 0.00 0.00 0.00 179.25 180.87 3hh0 h GLU 93 N 0.81 1.07 -0.83 0.00 4.57 -0.63 -1.66 114.58 117.91 3hh0 h GLU 93 Ca 0.35 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3hh0 h GLU 93 Cb 0.22 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 3hh0 h GLU 93 CO -0.19 1.04 0.55 0.37 -1.18 0.00 0.00 179.01 179.59 3hh0 h GLN 94 N 0.97 1.06 -0.46 1.92 4.15 0.52 -0.23 115.11 123.04 3hh0 h GLN 94 Ca 0.17 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 3hh0 h GLN 94 Cb 0.55 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3hh0 h GLN 94 CO 0.03 0.70 -0.16 0.93 -1.93 0.00 0.00 178.83 178.40 3hh0 h GLU 95 N 1.09 0.88 -0.64 1.69 5.08 -0.96 -2.75 114.58 118.96 3hh0 h GLU 95 Ca 0.32 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3hh0 h GLU 95 Cb -0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3hh0 h GLU 95 CO -0.09 0.97 0.05 -0.09 -1.00 0.00 0.00 179.01 178.86 3hh0 h ARG 96 N 0.78 1.10 -0.17 2.33 2.43 -0.42 -2.87 114.38 117.55 3hh0 h ARG 96 Ca 0.12 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.84 3hh0 h ARG 96 Cb 0.69 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3hh0 h ARG 96 CO 0.05 1.04 -0.41 0.82 -1.51 0.00 0.00 179.97 179.96 3hh0 h ILE 97 N 1.01 1.31 -0.57 1.20 2.04 -1.04 -2.08 117.51 119.38 3hh0 h ILE 97 Ca 0.19 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3hh0 h ILE 97 Cb 0.51 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3hh0 h ILE 97 CO 0.02 0.48 0.37 0.00 0.00 0.00 0.00 178.15 179.02 3hh0 h ALA 98 N 1.24 0.72 -0.10 1.87 0.00 -1.33 -1.13 119.26 120.54 3hh0 h ALA 98 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hh0 h ALA 98 Cb 0.86 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hh0 h ALA 98 CO 0.07 0.17 -0.05 0.87 0.00 0.00 0.00 179.25 180.32 3hh0 h LYS 99 N 0.77 0.20 -0.71 0.00 1.57 -1.34 -2.72 116.57 114.34 3hh0 h LYS 99 Ca 0.21 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 3hh0 h LYS 99 Cb -0.07 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.16 3hh0 h LYS 99 CO -0.04 0.55 0.35 0.28 -0.57 0.00 0.00 179.45 180.02 3hh0 h VAL 100 N -0.16 0.84 -0.41 0.50 2.07 -1.17 0.12 116.25 118.03 3hh0 h VAL 100 Ca 0.02 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3hh0 h VAL 100 Cb 0.49 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3hh0 h VAL 100 CO 0.01 0.11 0.24 -0.07 0.02 0.00 0.00 177.57 177.89 3hh0 h LEU 101 N 0.59 0.40 -1.15 2.57 3.38 -1.19 -2.55 115.31 117.36 3hh0 h LEU 101 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3hh0 h LEU 101 Cb 0.37 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hh0 h LEU 101 CO -0.27 0.29 0.27 -1.28 0.09 0.00 0.00 178.44 177.54 3hh0 h SER 102 N 0.50 0.79 0.00 -0.43 0.87 -0.88 -1.30 113.55 113.09 3hh0 h SER 102 Ca 0.16 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3hh0 h SER 102 Cb 0.01 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 3hh0 h SER 102 CO -0.07 0.69 0.00 1.41 -0.53 0.00 0.00 176.83 178.32 3hh0 n HIS 103 N -4.34 0.00 0.00 2.24 8.25 0.28 -2.09 115.22 119.56 3hh0 n HIS 103 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3hh0 n HIS 103 Cb 0.15 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3hh0 n HIS 103 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hh0 n ASP 105 N 0.28 0.00 -0.46 0.41 2.03 -0.49 -4.63 116.55 113.69 3hh0 n ASP 105 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3hh0 n ASP 105 Cb 0.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 3hh0 n ASP 105 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3hh0 n GLU 106 N 0.00 0.44 0.00 -0.67 4.07 -0.89 -2.32 120.64 121.26 3hh0 n GLU 106 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3hh0 n GLU 106 Cb 0.00 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 3hh0 n GLU 106 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3hh0 n THR 108 N 0.21 0.00 -0.31 6.31 -1.04 -1.26 -1.63 114.28 116.56 3hh0 n THR 108 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 3hh0 n THR 108 Cb 0.10 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 69.02 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 0.59 -0.34 -2.82 1.57 -1.87 0.14 116.57 113.84 3hh0 h LYS 109 Ca 0.00 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 3hh0 h LYS 109 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3hh0 h LYS 109 CO 0.00 0.39 -0.35 0.87 -0.57 0.00 0.00 179.45 179.79 3hh0 h LYS 110 N 0.61 0.79 -0.01 3.15 1.57 -1.59 -3.36 116.57 117.72 3hh0 h LYS 110 Ca 0.53 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3hh0 h LYS 110 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3hh0 h LYS 110 CO -0.28 1.01 -0.26 1.19 -0.57 0.00 0.00 179.45 180.54 3hh0 n PHE 111 N -4.06 0.00 -0.33 -1.35 3.01 -0.61 -4.68 117.46 109.45 3hh0 n PHE 111 Ca -0.01 0.00 0.24 0.00 1.01 0.00 0.00 57.45 58.69 3hh0 n PHE 111 Cb 0.51 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.44 3hh0 n PHE 111 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3hh0 h GLN 112 N 1.25 0.06 -0.05 -1.08 4.20 -0.92 0.86 115.11 119.43 3hh0 h GLN 112 Ca 0.00 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3hh0 h GLN 112 Cb 0.39 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3hh0 h GLN 112 CO 0.00 0.04 -0.32 0.87 -0.67 0.00 0.00 178.83 178.75 3hh0 h LYS 113 N 0.07 0.09 -6.37 1.46 1.79 -1.86 -3.44 116.57 108.30 3hh0 h LYS 113 Ca 0.74 -0.03 -0.55 0.00 -2.18 0.00 0.00 60.65 58.63 3hh0 h LYS 113 Cb 1.77 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.41 3hh0 h LYS 113 CO -0.78 0.40 0.69 -1.21 -1.08 0.00 0.00 179.45 177.47 3hh0 s GLU 114 N -4.31 4.36 0.24 3.15 0.41 0.29 -4.91 118.70 117.93 3hh0 s GLU 114 Ca -0.04 1.76 0.07 0.00 -0.41 0.00 0.00 54.97 56.36 3hh0 s GLU 114 Cb 0.14 -3.50 0.24 0.00 -1.78 0.00 0.00 34.13 29.23 3hh0 s GLU 114 CO 0.73 -0.43 1.55 0.93 -0.49 0.00 0.00 175.26 177.55 3hh0 h GLU 115 N 7.36 0.09 -3.91 1.61 5.08 -1.86 -3.45 114.58 119.51 3hh0 h GLU 115 Ca -0.37 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 57.78 3hh0 h GLU 115 Cb 1.18 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.26 3hh0 h GLU 115 CO 0.87 0.73 -0.60 1.03 -1.00 0.00 0.00 179.01 180.04 3hh0 s ARG 116 N -3.55 0.51 0.03 2.33 1.81 -1.26 -5.17 118.95 113.64 3hh0 s ARG 116 Ca -0.02 -0.77 0.01 0.00 -1.72 0.00 0.00 55.73 53.23 3hh0 s ARG 116 Cb 0.12 0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 34.79 3hh0 s ARG 116 CO 0.78 -0.11 -0.05 0.14 -0.68 0.00 0.00 175.30 175.38 3hh0 s VAL 117 N -2.43 0.33 -0.15 3.52 -7.23 -1.26 -5.11 120.40 108.07 3hh0 s VAL 117 Ca -0.07 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 3hh0 s VAL 117 Cb -0.03 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.50 3hh0 s VAL 117 CO -0.04 -0.34 1.09 0.21 -0.31 0.00 0.00 175.10 175.71 3hh0 s ASN 118 N -1.26 7.12 0.30 4.85 3.84 -1.26 -4.91 114.94 123.61 3hh0 s ASN 118 Ca -0.10 1.55 0.04 0.00 0.21 0.00 0.00 52.86 54.56 3hh0 s ASN 118 Cb -0.08 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 38.73 3hh0 s ASN 118 CO -0.00 -0.60 1.82 0.58 -2.79 0.00 0.00 177.10 176.11 3hh0 h VAL 119 N 5.27 0.83 0.11 -5.21 2.07 -2.00 0.80 116.25 118.12 3hh0 h VAL 119 Ca -0.27 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3hh0 h VAL 119 Cb 1.11 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3hh0 h VAL 119 CO 0.92 0.16 -0.05 0.00 0.02 0.00 0.00 177.57 178.62 3hh0 h ALA 120 N 1.59 -0.15 -0.61 1.67 0.00 -2.01 -3.04 119.26 116.71 3hh0 h ALA 120 Ca 0.53 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.30 3hh0 h ALA 120 Cb 0.68 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3hh0 h ALA 120 CO -0.30 -0.35 0.41 1.25 0.00 0.00 0.00 179.25 180.25 3hh0 h LEU 121 N -0.63 0.42 -7.79 0.00 5.85 -1.85 -2.30 115.31 109.01 3hh0 h LEU 121 Ca -0.02 0.01 -0.74 0.00 0.84 0.00 0.00 57.88 57.97 3hh0 h LEU 121 Cb 0.49 -0.08 -0.21 0.00 0.37 0.00 0.00 40.66 41.24 3hh0 h LEU 121 CO 0.03 0.26 0.86 0.12 -0.34 0.00 0.00 178.44 179.36 3hh0 s PHE 122 N -5.44 3.55 0.00 1.25 5.36 0.23 -2.54 117.98 120.40 3hh0 s PHE 122 Ca -0.08 -1.98 0.00 0.00 -0.96 0.00 0.00 56.93 53.91 3hh0 s PHE 122 Cb 0.19 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 3hh0 s PHE 122 CO 0.75 -1.29 0.00 0.45 -1.46 0.00 0.00 175.22 173.67 3hh0 n SER 123 N 5.18 0.00 -0.21 6.13 2.88 -1.11 -4.75 113.62 121.75 3hh0 n SER 123 Ca 0.27 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.80 3hh0 n SER 123 Cb 0.45 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.11 3hh0 n SER 123 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3hh0 h SER 124 N 0.00 0.87 -0.23 -3.46 4.64 -1.40 1.55 113.55 115.52 3hh0 h SER 124 Ca 0.00 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 3hh0 h SER 124 Cb 0.00 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3hh0 h SER 124 CO 0.00 0.71 -0.22 -0.26 -0.87 0.00 0.00 176.83 176.19 3hh0 h PHE 125 N 0.99 0.66 0.00 4.77 -1.00 -1.76 -0.57 116.94 120.03 3hh0 h PHE 125 Ca 0.25 -0.20 -0.05 0.00 2.81 0.00 0.00 57.97 60.78 3hh0 h PHE 125 Cb 0.03 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 3hh0 h PHE 125 CO 0.01 0.89 -0.25 1.25 -1.61 0.00 0.00 178.31 178.59 3hh0 h LEU 126 N 0.24 0.00 -0.04 1.54 5.85 -1.60 -2.81 115.31 118.49 3hh0 h LEU 126 Ca 0.04 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3hh0 h LEU 126 Cb 0.77 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.81 3hh0 h LEU 126 CO 0.06 0.25 -0.37 1.56 -0.34 0.00 0.00 178.44 179.59 3hh0 h GLN 127 N 0.00 0.32 0.00 1.25 1.08 0.24 -2.79 115.11 115.21 3hh0 h GLN 127 Ca -0.00 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3hh0 h GLN 127 Cb 0.60 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 3hh0 h GLN 127 CO 0.03 0.96 0.00 0.25 -0.95 0.00 0.00 178.83 179.12 3hh0 n THR 128 N -4.39 0.00 -2.46 -0.54 -2.24 -0.24 -3.34 114.28 101.07 3hh0 n THR 128 Ca -0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3hh0 n THR 128 Cb 0.54 -0.66 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 3hh0 n THR 128 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hh0 n PHE 129 N -0.82 2.62 -3.60 4.78 3.72 -1.05 -4.62 117.46 118.49 3hh0 n PHE 129 Ca 0.05 -2.69 -0.04 0.00 -0.05 0.00 0.00 57.45 54.72 3hh0 n PHE 129 Cb 0.02 -1.58 -0.02 0.00 -0.94 0.00 0.00 39.48 36.96 3hh0 n PHE 129 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3hh0 s ILE 130 N -1.86 0.00 -1.89 4.37 -4.36 -1.21 -5.04 121.20 111.21 3hh0 s ILE 130 Ca 0.41 -0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.66 3hh0 s ILE 130 Cb 0.13 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.49 3hh0 s ILE 130 CO -0.03 0.00 0.47 0.79 0.24 0.00 0.00 174.94 176.41