#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 -0.38 -0.12 -1.18 0.00 -1.26 -4.39 121.76 114.43 3hh0 s ALA 2 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3hh0 s ALA 2 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3hh0 s ALA 2 CO 0.00 -0.16 -0.12 -1.58 0.00 0.00 0.00 175.76 173.91 3hh0 s TRP 3 N 1.01 1.82 0.43 0.00 0.51 0.09 -4.90 118.94 117.90 3hh0 s TRP 3 Ca -0.08 -0.94 -0.23 0.00 -2.12 0.00 0.00 56.10 52.73 3hh0 s TRP 3 Cb -0.09 -1.39 -0.08 0.00 -0.81 0.00 0.00 33.47 31.09 3hh0 s TRP 3 CO -0.06 -0.55 1.09 -0.51 -0.51 0.00 0.00 176.95 176.41 3hh0 s LEU 4 N 1.44 4.06 0.23 2.99 1.43 -1.26 -0.14 118.68 127.44 3hh0 s LEU 4 Ca 0.02 2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 55.15 3hh0 s LEU 4 Cb -0.13 -4.24 0.34 0.00 0.03 0.00 0.00 46.19 42.18 3hh0 s LEU 4 CO -0.07 -0.68 1.36 0.00 0.23 0.00 0.00 176.35 177.19 3hh0 n ILE 5 N -0.31 -0.40 0.01 -0.59 3.06 -1.24 -0.02 119.36 119.87 3hh0 n ILE 5 Ca 0.06 2.02 0.03 0.00 -2.50 0.00 0.00 62.75 62.36 3hh0 n ILE 5 Cb 0.49 -2.75 0.39 0.00 0.54 0.00 0.00 39.64 38.31 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 0.45 0.70 9.51 0.87 -1.94 0.21 113.55 123.34 3hh0 h SER 6 Ca 0.38 -0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.69 3hh0 h SER 6 Cb 0.60 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3hh0 h SER 6 CO -0.89 0.40 -0.99 -0.33 -0.53 0.00 0.00 176.83 174.49 3hh0 h GLU 7 N 0.51 0.16 -0.22 2.24 5.08 -0.79 -2.80 114.58 118.75 3hh0 h GLU 7 Ca 0.13 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3hh0 h GLU 7 Cb 0.08 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hh0 h GLU 7 CO -0.02 1.03 -0.03 0.35 -1.00 0.00 0.00 179.01 179.34 3hh0 h PHE 8 N 0.07 0.46 -0.21 4.33 3.57 -0.17 -2.23 116.94 122.76 3hh0 h PHE 8 Ca -0.06 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.41 3hh0 h PHE 8 Cb 1.68 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 40.24 3hh0 h PHE 8 CO 0.03 0.62 -0.20 0.00 -2.23 0.00 0.00 178.31 176.53 3hh0 h ALA 9 N 0.77 -0.08 -1.00 2.41 0.00 -0.63 -2.11 119.26 118.62 3hh0 h ALA 9 Ca 0.06 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hh0 h ALA 9 Cb 0.46 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3hh0 h ALA 9 CO 0.02 -0.63 0.66 1.03 0.00 0.00 0.00 179.25 180.32 3hh0 h SER 10 N -0.21 1.12 1.37 0.00 0.87 -1.41 -0.99 113.55 114.30 3hh0 h SER 10 Ca 0.13 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3hh0 h SER 10 Cb 0.40 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3hh0 h SER 10 CO -0.34 0.79 0.00 1.62 -0.53 0.00 0.00 176.83 178.37 3hh0 h VAL 11 N 1.31 0.00 -0.15 2.23 3.04 -1.04 -3.17 116.25 118.46 3hh0 h VAL 11 Ca 0.38 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3hh0 h VAL 11 Cb -0.08 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3hh0 h VAL 11 CO -0.10 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.07 3hh0 n GLY 12 N 0.95 3.55 4.16 3.17 0.00 -0.83 -4.99 105.19 111.21 3hh0 n GLY 12 Ca 0.04 -0.57 -0.31 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 -0.41 -0.28 -4.10 1.61 2.03 -0.49 -4.96 116.55 109.95 3hh0 n ASP 13 Ca 0.11 -1.20 -0.14 0.00 0.52 0.00 0.00 54.79 54.08 3hh0 n ASP 13 Cb 0.52 -2.08 -0.11 0.00 -0.72 0.00 0.00 41.12 38.73 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 -4.13 0.71 0.56 5.18 1.01 -0.56 -5.05 120.40 118.13 3hh0 s VAL 14 Ca 0.08 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 3hh0 s VAL 14 Cb -0.04 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 3hh0 s VAL 14 CO 0.96 -0.36 1.01 0.42 0.00 0.00 0.00 175.10 177.12 3hh0 s THR 15 N -1.47 4.58 0.43 3.92 -4.23 -1.26 -4.16 115.64 113.45 3hh0 s THR 15 Ca -0.07 1.06 0.19 0.00 -1.18 0.00 0.00 61.69 61.69 3hh0 s THR 15 Cb -0.09 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.18 3hh0 s THR 15 CO 0.01 -0.88 2.00 0.58 -0.54 0.00 0.00 174.62 175.78 3hh0 h VAL 16 N 0.37 0.96 -0.40 2.29 2.07 -1.93 -2.15 116.25 117.46 3hh0 h VAL 16 Ca -0.46 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 3hh0 h VAL 16 Cb 1.19 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3hh0 h VAL 16 CO 0.62 0.18 -0.05 -0.09 0.02 0.00 0.00 177.57 178.25 3hh0 h ARG 17 N 0.00 0.73 -0.50 1.57 2.43 -1.99 -2.83 114.38 113.79 3hh0 h ARG 17 Ca -0.00 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 3hh0 h ARG 17 Cb 0.37 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3hh0 h ARG 17 CO 0.02 0.85 0.11 0.00 -1.51 0.00 0.00 179.97 179.44 3hh0 h ALA 18 N 0.86 0.66 -0.55 2.80 0.00 -1.78 -2.85 119.26 118.40 3hh0 h ALA 18 Ca 0.11 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hh0 h ALA 18 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hh0 h ALA 18 CO 0.03 0.36 0.37 -0.07 0.00 0.00 0.00 179.25 179.94 3hh0 h LEU 19 N 0.69 0.57 -0.81 0.00 3.38 -1.41 0.97 115.31 118.70 3hh0 h LEU 19 Ca 0.16 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3hh0 h LEU 19 Cb 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hh0 h LEU 19 CO 0.00 0.40 -0.51 0.03 0.09 0.00 0.00 178.44 178.45 3hh0 h ARG 20 N 0.67 0.00 0.02 1.13 3.08 -1.33 -1.77 114.38 116.18 3hh0 h ARG 20 Ca 0.22 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 3hh0 h ARG 20 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3hh0 h ARG 20 CO -0.06 0.51 -0.48 -0.92 -1.07 0.00 0.00 179.97 177.96 3hh0 h TYR 21 N 0.00 0.44 0.00 3.04 3.20 -0.99 -0.19 116.97 122.48 3hh0 h TYR 21 Ca -0.01 -0.25 -0.03 0.00 3.14 0.00 0.00 58.73 61.58 3hh0 h TYR 21 Cb 1.03 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 3hh0 h TYR 21 CO 0.00 1.09 -0.13 1.88 -1.64 0.00 0.00 178.16 179.37 3hh0 h TYR 22 N -0.34 0.00 0.03 -3.82 0.05 -0.81 0.41 116.97 112.50 3hh0 h TYR 22 Ca -0.07 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.60 3hh0 h TYR 22 Cb 1.24 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.99 3hh0 h TYR 22 CO 0.17 0.13 -0.45 0.22 -1.05 0.00 0.00 178.16 177.18 3hh0 h ASP 23 N 0.00 0.34 0.38 3.88 -0.00 -1.28 0.82 116.42 120.56 3hh0 h ASP 23 Ca -0.00 -0.83 -0.02 0.00 -0.00 0.00 0.00 57.03 56.18 3hh0 h ASP 23 Cb 0.30 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.52 3hh0 h ASP 23 CO 0.02 1.14 -0.19 0.50 -0.00 0.00 0.00 179.24 180.71 3hh0 h LYS 24 N -0.41 -0.50 0.00 0.28 3.64 -0.12 -2.10 116.57 117.36 3hh0 h LYS 24 Ca -0.07 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hh0 h LYS 24 Cb 1.24 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3hh0 h LYS 24 CO 0.09 -0.33 0.00 0.44 -2.27 0.00 0.00 179.45 177.38 3hh0 n ILE 25 N -5.31 0.07 -2.44 2.00 -5.35 0.05 -4.88 119.36 103.51 3hh0 n ILE 25 Ca -0.11 0.02 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 3hh0 n ILE 25 Cb 0.22 -0.67 0.01 0.00 -1.74 0.00 0.00 39.64 37.46 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 -1.06 -3.76 0.03 7.28 2.85 -0.79 -4.94 115.26 114.87 3hh0 n ASN 26 Ca 0.15 -0.08 -0.17 0.00 -0.11 0.00 0.00 54.58 54.37 3hh0 n ASN 26 Cb 0.10 -2.82 -0.14 0.00 1.24 0.00 0.00 39.78 38.15 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 -0.38 0.35 -6.38 1.20 5.85 0.29 -3.44 115.31 112.80 3hh0 h LEU 27 Ca -0.27 -0.60 -0.24 0.00 0.84 0.00 0.00 57.88 57.61 3hh0 h LEU 27 Cb 1.19 -0.11 -0.30 0.00 0.37 0.00 0.00 40.66 41.81 3hh0 h LEU 27 CO 0.30 1.52 -0.57 -0.22 -0.34 0.00 0.00 178.44 179.13 3hh0 s LEU 28 N -6.87 -0.60 -0.11 2.25 2.96 0.20 -5.00 118.68 111.51 3hh0 s LEU 28 Ca -0.13 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 3hh0 s LEU 28 Cb 0.07 0.90 -0.04 0.00 0.50 0.00 0.00 46.19 47.62 3hh0 s LEU 28 CO 0.82 -0.37 0.13 -0.54 -1.32 0.00 0.00 176.35 175.08 3hh0 s LYS 29 N 2.48 3.39 0.31 1.98 1.02 -1.26 -3.22 119.74 124.44 3hh0 s LYS 29 Ca 0.10 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 3hh0 s LYS 29 Cb -0.13 -3.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.94 3hh0 s LYS 29 CO -0.31 0.76 1.40 -1.25 -0.92 0.00 0.00 175.35 175.04 3hh0 s PRO 30 N -1.11 4.26 0.56 -1.68 0.04 -1.26 -4.90 135.00 130.91 3hh0 s PRO 30 Ca 0.16 2.33 0.34 0.00 0.04 0.00 0.00 61.00 63.88 3hh0 s PRO 30 Cb -0.12 -3.06 1.54 0.00 0.04 0.00 0.00 34.50 32.90 3hh0 s PRO 30 CO 0.05 -0.36 2.05 0.77 0.04 0.00 0.00 177.00 179.56 3hh0 h SER 31 N 3.97 0.00 -5.20 6.66 0.02 -1.95 -3.45 113.55 113.60 3hh0 h SER 31 Ca -0.48 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 3hh0 h SER 31 Cb 1.23 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.61 3hh0 h SER 31 CO 0.70 0.03 -0.68 -1.81 -1.14 0.00 0.00 176.83 173.93 3hh0 s ASP 32 N -5.68 0.48 0.07 3.07 1.01 -0.83 -5.05 116.67 109.73 3hh0 s ASP 32 Ca -0.00 -0.94 0.05 0.00 0.71 0.00 0.00 52.55 52.36 3hh0 s ASP 32 Cb 0.10 0.19 -0.03 0.00 1.01 0.00 0.00 42.92 44.19 3hh0 s ASP 32 CO 0.53 -0.56 -0.15 -0.31 0.21 0.00 0.00 175.17 174.89 3hh0 s TYR 33 N -3.64 1.27 0.91 4.23 2.02 -1.26 0.93 117.35 121.81 3hh0 s TYR 33 Ca 0.05 -0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 56.19 3hh0 s TYR 33 Cb 0.06 -0.72 0.14 0.00 -0.40 0.00 0.00 41.96 41.04 3hh0 s TYR 33 CO -0.09 0.07 1.11 -0.08 -1.57 0.00 0.00 175.55 174.98 3hh0 s THR 34 N -1.17 2.36 -1.12 -0.71 -1.32 0.45 -4.83 115.64 109.30 3hh0 s THR 34 Ca -0.00 0.12 0.24 0.00 -1.21 0.00 0.00 61.69 60.83 3hh0 s THR 34 Cb -0.10 -2.74 0.26 0.00 -1.51 0.00 0.00 72.50 68.42 3hh0 s THR 34 CO 0.02 -0.15 1.78 1.21 -2.21 0.00 0.00 174.62 175.26 3hh0 n GLU 35 N -3.85 0.10 -0.83 7.08 4.07 -1.26 -3.17 120.64 122.78 3hh0 n GLU 35 Ca 0.06 0.08 -0.05 0.00 -0.06 0.00 0.00 57.16 57.19 3hh0 n GLU 35 Cb 0.57 -1.50 0.20 0.00 -0.06 0.00 0.00 31.44 30.65 3hh0 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hh0 n GLY 36 N 0.90 4.90 1.05 8.31 0.00 -1.26 -4.97 105.19 114.13 3hh0 n GLY 36 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.13 2.75 3.71 -0.02 0.00 -1.19 -5.04 105.19 104.28 3hh0 n GLY 37 Ca 0.34 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.55 -2.90 1.61 8.25 -1.26 -4.64 115.22 118.82 3hh0 n HIS 38 Ca 0.00 0.29 -0.34 0.00 -0.26 0.00 0.00 57.72 57.41 3hh0 n HIS 38 Cb 0.00 -2.55 -0.07 0.00 1.12 0.00 0.00 29.99 28.49 3hh0 n HIS 38 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3hh0 s ARG 39 N -0.12 4.25 -0.13 -0.41 1.70 -1.26 0.17 118.95 123.15 3hh0 s ARG 39 Ca 0.68 1.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.99 3hh0 s ARG 39 Cb -0.57 -2.41 0.02 0.00 -0.57 0.00 0.00 34.95 31.42 3hh0 s ARG 39 CO 0.46 0.11 -0.12 -0.51 -1.08 0.00 0.00 175.30 174.16 3hh0 s LEU 40 N -2.81 1.49 -0.00 -1.89 1.43 0.27 -3.70 118.68 113.46 3hh0 s LEU 40 Ca 0.56 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 3hh0 s LEU 40 Cb -0.12 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 3hh0 s LEU 40 CO 0.17 -0.08 0.36 -0.31 0.23 0.00 0.00 176.35 176.72 3hh0 s TYR 41 N 1.56 3.68 0.47 0.29 2.02 0.81 -1.96 117.35 124.22 3hh0 s TYR 41 Ca 0.05 0.88 0.08 0.00 -0.37 0.00 0.00 57.07 57.71 3hh0 s TYR 41 Cb -0.13 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.25 3hh0 s TYR 41 CO -0.10 0.64 0.57 0.99 -1.57 0.00 0.00 175.55 176.09 3hh0 s THR 42 N -1.13 2.63 0.40 -0.71 2.01 -1.26 -0.73 115.64 116.85 3hh0 s THR 42 Ca 0.24 -1.10 0.07 0.00 0.31 0.00 0.00 61.69 61.21 3hh0 s THR 42 Cb -0.15 -2.73 0.22 0.00 0.01 0.00 0.00 72.50 69.84 3hh0 s THR 42 CO 0.13 0.00 2.00 0.50 -0.69 0.00 0.00 174.62 176.56 3hh0 h LYS 43 N 0.61 0.44 -0.24 4.92 1.63 -2.00 -1.79 116.57 120.14 3hh0 h LYS 43 Ca -0.38 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 3hh0 h LYS 43 Cb 1.28 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 3hh0 h LYS 43 CO 0.47 0.38 0.13 -0.44 -3.45 0.00 0.00 179.45 176.54 3hh0 h ASP 44 N 0.44 0.31 -0.88 4.20 5.19 -1.96 -1.38 116.42 122.35 3hh0 h ASP 44 Ca 0.11 -0.10 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3hh0 h ASP 44 Cb 0.11 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.48 3hh0 h ASP 44 CO -0.01 0.33 0.57 0.44 -3.12 0.00 0.00 179.24 177.44 3hh0 h ASP 45 N 0.27 0.78 -0.44 6.45 3.32 -1.74 0.40 116.42 125.47 3hh0 h ASP 45 Ca 0.09 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3hh0 h ASP 45 Cb 0.09 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3hh0 h ASP 45 CO -0.01 0.46 0.24 0.25 -1.72 0.00 0.00 179.24 178.46 3hh0 h LEU 46 N 0.87 0.57 -0.25 1.55 5.85 -0.54 0.12 115.31 123.48 3hh0 h LEU 46 Ca 0.41 -0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.87 3hh0 h LEU 46 Cb 0.41 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hh0 h LEU 46 CO -0.17 0.48 -0.78 1.88 -0.34 0.00 0.00 178.44 179.51 3hh0 h TYR 47 N 0.65 0.85 -0.68 1.25 0.05 -0.38 -0.76 116.97 117.94 3hh0 h TYR 47 Ca 0.17 -0.38 -0.04 0.00 0.05 0.00 0.00 58.73 58.52 3hh0 h TYR 47 Cb 0.04 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 3hh0 h TYR 47 CO 0.00 1.19 0.26 0.28 -1.05 0.00 0.00 178.16 178.84 3hh0 h VAL 48 N 0.42 1.24 -0.31 -2.88 2.07 -0.46 0.22 116.25 116.54 3hh0 h VAL 48 Ca -0.05 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 3hh0 h VAL 48 Cb 1.39 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3hh0 h VAL 48 CO 0.15 0.30 -0.04 0.25 0.02 0.00 0.00 177.57 178.25 3hh0 h LEU 49 N 0.98 0.58 -1.02 2.57 5.85 -0.64 -0.38 115.31 123.25 3hh0 h LEU 49 Ca 0.23 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3hh0 h LEU 49 Cb 0.20 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3hh0 h LEU 49 CO -0.02 0.78 0.65 1.56 -0.34 0.00 0.00 178.44 181.08 3hh0 h GLN 50 N 0.37 1.30 -0.23 1.25 4.20 -0.57 -1.72 115.11 119.70 3hh0 h GLN 50 Ca 0.08 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3hh0 h GLN 50 Cb 0.51 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3hh0 h GLN 50 CO 0.02 0.87 0.01 1.96 -0.67 0.00 0.00 178.83 181.02 3hh0 h GLN 51 N 1.34 0.41 -0.77 1.46 4.20 -0.34 -0.52 115.11 120.89 3hh0 h GLN 51 Ca 0.36 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 59.01 3hh0 h GLN 51 Cb -0.15 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.53 3hh0 h GLN 51 CO -0.08 0.58 0.46 0.82 -0.67 0.00 0.00 178.83 179.94 3hh0 h ILE 52 N 0.18 1.00 -0.39 2.54 2.04 -0.73 -1.64 117.51 120.51 3hh0 h ILE 52 Ca 0.07 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3hh0 h ILE 52 Cb 0.39 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3hh0 h ILE 52 CO 0.01 0.15 0.23 1.56 0.00 0.00 0.00 178.15 180.10 3hh0 h GLN 53 N 0.83 0.54 -0.10 2.37 4.20 -1.10 -2.22 115.11 119.62 3hh0 h GLN 53 Ca 0.34 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.01 3hh0 h GLN 53 Cb 0.20 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3hh0 h GLN 53 CO -0.18 0.41 0.05 0.77 -0.67 0.00 0.00 178.83 179.21 3hh0 h SER 54 N 0.51 0.08 1.29 1.46 0.02 -0.20 -2.78 113.55 113.93 3hh0 h SER 54 Ca 0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3hh0 h SER 54 Cb 0.02 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hh0 h SER 54 CO -0.03 0.06 -0.35 -0.26 -1.14 0.00 0.00 176.83 175.12 3hh0 h PHE 55 N 0.11 0.00 -0.42 3.45 0.04 -1.37 -2.72 116.94 116.04 3hh0 h PHE 55 Ca 0.04 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 3hh0 h PHE 55 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3hh0 h PHE 55 CO -0.09 0.35 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.68 3hh0 h LYS 56 N 0.00 0.72 0.00 1.51 3.64 -1.32 -1.48 116.57 119.63 3hh0 h LYS 56 Ca -0.00 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3hh0 h LYS 56 Cb 1.09 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3hh0 h LYS 56 CO 0.05 0.78 -0.10 1.25 -2.27 0.00 0.00 179.45 179.15 3hh0 h HIS 57 N 0.66 0.00 -0.01 1.91 2.76 -1.20 -1.88 115.15 117.40 3hh0 h HIS 57 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3hh0 h HIS 57 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 3hh0 h HIS 57 CO 0.02 0.10 -0.18 1.28 -1.30 0.00 0.00 177.93 177.85 3hh0 n LEU 58 N -4.34 0.70 0.00 0.26 4.77 -0.58 -4.94 117.00 112.87 3hh0 n LEU 58 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3hh0 n LEU 58 Cb 0.17 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hh0 n LEU 58 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3hh0 n GLY 59 N 1.31 0.70 3.77 -0.72 0.00 -0.71 -4.84 105.19 104.71 3hh0 n GLY 59 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.31 3.08 0.74 1.61 0.08 -1.06 -5.01 117.98 115.10 3hh0 s PHE 60 Ca 0.00 1.47 -0.11 0.00 0.12 0.00 0.00 56.93 58.41 3hh0 s PHE 60 Cb 0.00 -3.58 0.04 0.00 -0.57 0.00 0.00 43.02 38.91 3hh0 s PHE 60 CO 0.00 -1.64 1.09 -1.54 -0.10 0.00 0.00 175.22 173.03 3hh0 s SER 61 N -0.68 4.74 0.53 1.36 1.04 -1.26 -4.66 113.70 114.76 3hh0 s SER 61 Ca 0.51 1.83 0.18 0.00 0.48 0.00 0.00 55.95 58.95 3hh0 s SER 61 Cb -0.37 -2.52 1.34 0.00 0.10 0.00 0.00 66.02 64.56 3hh0 s SER 61 CO 0.48 -1.88 2.16 -0.07 0.98 0.00 0.00 173.24 174.91 3hh0 h LEU 62 N -0.83 0.00 -0.32 2.42 3.38 -1.99 -0.70 115.31 117.27 3hh0 h LEU 62 Ca -0.44 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 3hh0 h LEU 62 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hh0 h LEU 62 CO 0.53 0.01 -0.39 1.23 0.09 0.00 0.00 178.44 179.90 3hh0 h GLY 63 N 0.03 0.92 1.30 0.83 0.00 -2.01 -2.56 103.07 101.59 3hh0 h GLY 63 Ca -0.00 -0.98 -0.19 0.00 0.00 0.00 0.00 47.33 46.16 3hh0 h GLY 63 CO 0.00 0.88 -0.63 -2.09 0.00 0.00 0.00 176.54 174.70 3hh0 h GLU 64 N 0.62 0.71 -0.58 4.80 4.57 -1.78 -3.12 114.58 119.81 3hh0 h GLU 64 Ca 0.04 -0.50 0.07 0.00 -1.18 0.00 0.00 59.36 57.79 3hh0 h GLU 64 Cb 0.99 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.60 3hh0 h GLU 64 CO 0.09 1.12 0.26 0.82 -1.18 0.00 0.00 179.01 180.13 3hh0 h ILE 65 N 0.52 0.88 -0.08 2.32 2.04 -1.11 -1.68 117.51 120.41 3hh0 h ILE 65 Ca -0.01 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3hh0 h ILE 65 Cb 1.23 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3hh0 h ILE 65 CO 0.13 0.09 -0.09 -0.61 0.00 0.00 0.00 178.15 177.66 3hh0 h GLN 66 N 0.49 -0.12 -0.85 2.37 4.15 -1.41 -1.16 115.11 118.58 3hh0 h GLN 66 Ca 0.27 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.80 3hh0 h GLN 66 Cb 0.25 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 3hh0 h GLN 66 CO -0.22 -0.08 0.50 -0.97 -1.93 0.00 0.00 178.83 176.12 3hh0 h ASN 67 N -0.12 0.71 0.17 -0.69 -0.00 -1.37 -2.10 115.58 112.18 3hh0 h ASN 67 Ca 0.06 0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.40 3hh0 h ASN 67 Cb 0.21 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 3hh0 h ASN 67 CO -0.15 0.40 -0.08 0.40 -0.00 0.00 0.00 177.43 177.99 3hh0 h ILE 68 N 0.82 0.91 0.00 2.57 2.04 -0.85 -2.73 117.51 120.27 3hh0 h ILE 68 Ca 0.41 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3hh0 h ILE 68 Cb 0.38 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3hh0 h ILE 68 CO -0.25 0.08 0.00 -0.38 0.00 0.00 0.00 178.15 177.60 3hh0 n ILE 69 N -5.11 1.44 -0.13 -0.67 5.41 -0.48 -1.70 119.36 118.11 3hh0 n ILE 69 Ca -0.09 0.36 0.10 0.00 1.00 0.00 0.00 62.75 64.12 3hh0 n ILE 69 Cb 0.18 -1.28 0.30 0.00 -0.71 0.00 0.00 39.64 38.13 3hh0 n ILE 69 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3hh0 n LEU 70 N -1.43 3.63 -3.91 1.39 4.77 -0.82 -4.86 117.00 115.77 3hh0 n LEU 70 Ca 0.02 -1.82 -0.21 0.00 -0.03 0.00 0.00 56.01 53.96 3hh0 n LEU 70 Cb 0.05 -0.46 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 3hh0 n LEU 70 CO 0.04 0.86 -0.42 -1.10 -1.33 0.00 0.00 177.39 175.44 3hh0 s GLN 71 N -1.22 1.01 0.06 3.23 -0.21 -0.69 -5.05 119.66 116.79 3hh0 s GLN 71 Ca 0.44 -0.16 -0.31 0.00 0.02 0.00 0.00 55.36 55.35 3hh0 s GLN 71 Cb 0.24 -0.99 -0.16 0.00 1.00 0.00 0.00 33.01 33.09 3hh0 s GLN 71 CO 0.29 -0.08 1.47 0.00 -2.12 0.00 0.00 175.29 174.85 3hh0 h ARG 72 N 7.26 -1.00 -6.23 2.91 3.08 -1.89 -3.44 114.38 115.07 3hh0 h ARG 72 Ca -0.35 0.07 -0.56 0.00 0.07 0.00 0.00 59.98 59.21 3hh0 h ARG 72 Cb 1.16 0.23 -0.08 0.00 0.08 0.00 0.00 29.97 31.36 3hh0 h ARG 72 CO 0.45 -0.67 -0.59 -0.51 -1.07 0.00 0.00 179.97 177.59 3hh0 s ASP 73 N -3.79 5.21 0.06 7.04 1.11 -1.26 -5.11 116.67 119.93 3hh0 s ASP 73 Ca -0.16 -0.30 -0.16 0.00 0.18 0.00 0.00 52.55 52.11 3hh0 s ASP 73 Cb 0.02 -1.25 0.03 0.00 1.07 0.00 0.00 42.92 42.80 3hh0 s ASP 73 CO 0.50 0.03 0.36 -0.51 1.18 0.00 0.00 175.17 176.73 3hh0 s ILE 74 N -1.95 0.07 -0.01 0.77 2.07 -1.26 -5.12 121.20 115.77 3hh0 s ILE 74 Ca 0.31 -0.60 -0.30 0.00 -1.41 0.00 0.00 60.65 58.65 3hh0 s ILE 74 Cb -0.09 -1.01 -0.06 0.00 0.13 0.00 0.00 42.46 41.43 3hh0 s ILE 74 CO 0.22 -0.33 1.66 -0.70 -1.91 0.00 0.00 174.94 173.88 3hh0 s GLU 75 N -2.81 4.19 0.56 3.50 -6.30 -1.26 -4.84 118.70 111.74 3hh0 s GLU 75 Ca -0.03 2.24 0.34 0.00 -2.50 0.00 0.00 54.97 55.03 3hh0 s GLU 75 Cb -0.00 -3.87 1.47 0.00 0.00 0.00 0.00 34.13 31.73 3hh0 s GLU 75 CO -0.05 -0.81 1.75 1.15 0.02 0.00 0.00 175.26 177.33 3hh0 h THR 76 N 5.34 0.33 -0.71 -1.70 2.02 -2.02 -0.20 112.91 115.96 3hh0 h THR 76 Ca -0.41 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.86 3hh0 h THR 76 Cb 1.19 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3hh0 h THR 76 CO 0.94 0.00 0.47 -0.08 0.37 0.00 0.00 175.52 177.22 3hh0 h GLU 77 N 0.00 0.61 -0.93 6.66 4.22 -1.98 -1.44 114.58 121.72 3hh0 h GLU 77 Ca 0.49 -0.04 0.12 0.00 0.08 0.00 0.00 59.36 60.02 3hh0 h GLU 77 Cb 2.18 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 31.20 3hh0 h GLU 77 CO -0.01 0.40 0.55 0.28 -2.18 0.00 0.00 179.01 178.06 3hh0 h VAL 78 N 0.63 0.86 0.04 0.32 2.07 -1.40 0.22 116.25 118.99 3hh0 h VAL 78 Ca 0.32 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 3hh0 h VAL 78 Cb 0.42 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3hh0 h VAL 78 CO -0.11 0.16 -0.25 -0.26 0.02 0.00 0.00 177.57 177.13 3hh0 h PHE 79 N 0.85 0.18 -0.35 1.57 0.05 -1.53 -3.18 116.94 114.53 3hh0 h PHE 79 Ca 0.47 -0.12 0.07 0.00 3.82 0.00 0.00 57.97 62.21 3hh0 h PHE 79 Cb 0.52 -0.01 -0.06 0.00 2.00 0.00 0.00 35.95 38.40 3hh0 h PHE 79 CO -0.03 1.07 -0.05 -0.07 -0.18 0.00 0.00 178.31 179.04 3hh0 h LEU 80 N -0.76 -0.24 -1.16 1.54 3.38 -0.83 -1.21 115.31 116.03 3hh0 h LEU 80 Ca -0.04 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hh0 h LEU 80 Cb 1.16 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 3hh0 h LEU 80 CO 0.05 -0.08 0.05 0.08 0.09 0.00 0.00 178.44 178.63 3hh0 h ARG 81 N 0.04 0.64 -0.39 1.13 0.11 -0.73 -2.11 114.38 113.07 3hh0 h ARG 81 Ca 0.17 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 60.12 3hh0 h ARG 81 Cb 0.25 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3hh0 h ARG 81 CO -0.32 0.62 0.00 0.94 0.10 0.00 0.00 179.97 181.31 3hh0 n GLN 82 N -4.28 0.40 0.00 0.08 -0.06 -0.46 -2.05 117.38 111.01 3hh0 n GLN 82 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 3hh0 n GLN 82 Cb 0.23 -1.20 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 3hh0 n GLN 82 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 3hh0 n HIS 84 N 0.29 0.00 -0.05 3.69 -0.00 -0.80 -1.08 115.22 117.27 3hh0 n HIS 84 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3hh0 n HIS 84 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.04 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 0.29 -0.57 1.57 3.57 -1.68 -2.78 116.94 117.35 3hh0 h PHE 85 Ca 0.00 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3hh0 h PHE 85 Cb 0.00 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3hh0 h PHE 85 CO 0.00 0.42 0.38 1.96 -2.23 0.00 0.00 178.31 178.84 3hh0 h GLN 86 N 0.08 0.70 -0.89 1.11 1.08 -1.38 -1.57 115.11 114.23 3hh0 h GLN 86 Ca 0.05 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 3hh0 h GLN 86 Cb 0.28 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.49 3hh0 h GLN 86 CO 0.00 0.46 0.56 -0.09 -0.95 0.00 0.00 178.83 178.82 3hh0 h ARG 87 N 0.72 1.00 -0.38 1.46 2.43 -1.74 0.32 114.38 118.19 3hh0 h ARG 87 Ca 0.22 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 3hh0 h ARG 87 Cb -0.00 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3hh0 h ARG 87 CO -0.05 0.66 -0.33 0.93 -1.51 0.00 0.00 179.97 179.66 3hh0 h GLU 88 N 1.03 0.90 -0.08 0.20 4.39 -1.23 -1.05 114.58 118.74 3hh0 h GLU 88 Ca 0.39 -0.46 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3hh0 h GLU 88 Cb 0.16 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3hh0 h GLU 88 CO -0.17 1.11 -0.02 0.28 -1.16 0.00 0.00 179.01 179.05 3hh0 h VAL 89 N 0.71 0.92 0.00 3.13 2.07 -0.39 -1.55 116.25 121.14 3hh0 h VAL 89 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 3hh0 h VAL 89 Cb 0.92 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3hh0 h VAL 89 CO 0.09 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 177.26 3hh0 h LEU 90 N -0.00 0.00 -0.68 2.57 3.38 -0.36 -2.11 115.31 118.11 3hh0 h LEU 90 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3hh0 h LEU 90 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hh0 h LEU 90 CO -0.08 0.34 -0.50 -0.07 0.09 0.00 0.00 178.44 178.22 3hh0 h LEU 91 N 0.00 0.45 -0.86 1.67 3.38 -0.77 -1.34 115.31 117.84 3hh0 h LEU 91 Ca -0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3hh0 h LEU 91 Cb 0.61 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3hh0 h LEU 91 CO 0.04 0.88 -0.55 0.00 0.09 0.00 0.00 178.44 178.90 3hh0 h ALA 92 N 1.14 1.04 -0.22 1.53 0.00 -0.91 -2.77 119.26 119.08 3hh0 h ALA 92 Ca 0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 3hh0 h ALA 92 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hh0 h ALA 92 CO 0.09 0.69 -0.50 1.49 0.00 0.00 0.00 179.25 181.01 3hh0 h GLU 93 N 0.00 0.72 -0.38 0.00 4.57 -1.10 -0.74 114.58 117.66 3hh0 h GLU 93 Ca -0.01 -0.49 0.04 0.00 -1.18 0.00 0.00 59.36 57.72 3hh0 h GLU 93 Cb 1.00 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 3hh0 h GLU 93 CO 0.07 1.11 0.16 1.96 -1.18 0.00 0.00 179.01 181.13 3hh0 h GLN 94 N 0.44 0.33 0.06 1.92 4.20 -1.13 0.13 115.11 121.07 3hh0 h GLN 94 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hh0 h GLN 94 Cb 1.11 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.82 3hh0 h GLN 94 CO 0.11 0.22 -0.03 0.93 -0.67 0.00 0.00 178.83 179.39 3hh0 h GLU 95 N 0.34 -0.08 -0.99 1.46 5.08 -1.47 0.10 114.58 119.02 3hh0 h GLU 95 Ca 0.17 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3hh0 h GLU 95 Cb 0.11 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 3hh0 h GLU 95 CO -0.14 0.08 0.63 -0.09 -1.00 0.00 0.00 179.01 178.48 3hh0 h ARG 96 N -0.23 0.94 -0.05 2.33 2.43 -0.76 -1.59 114.38 117.45 3hh0 h ARG 96 Ca -0.01 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3hh0 h ARG 96 Cb 0.20 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3hh0 h ARG 96 CO 0.01 0.62 -0.22 0.82 -1.51 0.00 0.00 179.97 179.70 3hh0 h ILE 97 N 0.97 1.45 -0.83 1.20 2.04 -0.49 -2.54 117.51 119.32 3hh0 h ILE 97 Ca 0.49 -1.66 0.14 0.00 1.00 0.00 0.00 64.86 64.83 3hh0 h ILE 97 Cb 0.50 2.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.92 3hh0 h ILE 97 CO -0.26 0.47 0.54 0.00 0.00 0.00 0.00 178.15 178.90 3hh0 h ALA 98 N 0.41 1.96 -0.04 1.87 0.00 -0.41 -0.11 119.26 122.94 3hh0 h ALA 98 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hh0 h ALA 98 Cb 0.87 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hh0 h ALA 98 CO 0.05 -0.18 -0.06 0.87 0.00 0.00 0.00 179.25 179.93 3hh0 h LYS 99 N 0.57 0.11 -0.37 0.00 1.57 -1.31 -2.33 116.57 114.81 3hh0 h LYS 99 Ca 0.41 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 3hh0 h LYS 99 Cb 0.77 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 3hh0 h LYS 99 CO -0.16 0.62 0.11 0.28 -0.57 0.00 0.00 179.45 179.72 3hh0 h VAL 100 N -0.39 0.86 -0.86 0.50 2.07 -0.91 0.08 116.25 117.61 3hh0 h VAL 100 Ca 0.00 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3hh0 h VAL 100 Cb 0.61 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3hh0 h VAL 100 CO 0.01 0.05 0.54 -0.07 0.02 0.00 0.00 177.57 178.12 3hh0 h LEU 101 N 0.25 0.88 -0.73 2.57 3.38 -1.08 -1.98 115.31 118.60 3hh0 h LEU 101 Ca 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3hh0 h LEU 101 Cb 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3hh0 h LEU 101 CO -0.20 0.58 0.40 -1.28 0.09 0.00 0.00 178.44 178.03 3hh0 h SER 102 N 1.02 0.91 0.00 -0.43 0.87 -0.72 -2.60 113.55 112.59 3hh0 h SER 102 Ca 0.36 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3hh0 h SER 102 Cb 0.09 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3hh0 h SER 102 CO -0.14 0.75 0.00 1.41 -0.53 0.00 0.00 176.83 178.31 3hh0 n HIS 103 N -4.47 0.00 0.00 2.24 8.25 -0.08 -2.73 115.22 118.43 3hh0 n HIS 103 Ca 0.06 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3hh0 n HIS 103 Cb 0.09 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 1.14 0.00 -0.75 0.41 8.00 -0.98 -4.67 116.55 119.70 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 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.00 0.00 -1.24 -0.58 -1.10 -0.72 120.64 116.99 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 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 0.55 0.00 -0.34 2.62 -1.04 -1.26 -1.99 114.28 112.81 3hh0 n THR 108 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 3hh0 n THR 108 Cb 0.00 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.67 3hh0 n THR 108 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3hh0 h LYS 109 N 0.00 1.02 0.00 -2.82 3.64 -1.33 -1.51 116.57 115.57 3hh0 h LYS 109 Ca 0.00 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 3hh0 h LYS 109 Cb 0.00 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3hh0 h LYS 109 CO 0.00 0.67 -0.28 0.87 -2.27 0.00 0.00 179.45 178.45 3hh0 h LYS 110 N 1.05 0.00 0.00 1.90 1.79 -1.68 -3.38 116.57 116.25 3hh0 h LYS 110 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3hh0 h LYS 110 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3hh0 h LYS 110 CO -0.18 0.27 0.00 1.19 -1.08 0.00 0.00 179.45 179.65 3hh0 n PHE 111 N -3.17 0.00 0.06 -1.35 3.01 -1.19 -4.76 117.46 110.07 3hh0 n PHE 111 Ca 0.03 -0.13 0.19 0.00 1.01 0.00 0.00 57.45 58.55 3hh0 n PHE 111 Cb 0.64 -0.01 0.71 0.00 -0.01 0.00 0.00 39.48 40.81 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 0.00 0.00 0.10 -1.08 4.15 -1.46 -2.74 115.11 114.08 3hh0 h GLN 112 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.09 3hh0 h GLN 112 Cb 0.34 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 3hh0 h GLN 112 CO 0.00 0.00 -1.75 1.57 -1.93 0.00 0.00 178.83 176.72 3hh0 h LYS 113 N 0.00 0.21 -6.83 1.69 -0.00 -1.85 -3.48 116.57 106.31 3hh0 h LYS 113 Ca 0.21 -0.36 -0.54 0.00 -0.00 0.00 0.00 60.65 59.95 3hh0 h LYS 113 Cb 0.87 0.14 0.20 0.00 -0.00 0.00 0.00 32.23 33.44 3hh0 h LYS 113 CO -0.00 1.03 -0.33 0.39 -0.00 0.00 0.00 179.45 180.54 3hh0 n GLU 114 N -3.39 0.01 0.12 0.07 -0.58 -1.03 -4.92 120.64 110.92 3hh0 n GLU 114 Ca -0.23 0.06 0.07 0.00 -0.42 0.00 0.00 57.16 56.64 3hh0 n GLU 114 Cb 1.05 -1.97 0.02 0.00 -0.57 0.00 0.00 31.44 29.98 3hh0 n GLU 114 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3hh0 h GLU 115 N -1.01 0.00 -2.99 3.49 4.57 -1.93 -3.46 114.58 113.24 3hh0 h GLU 115 Ca -0.45 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.64 3hh0 h GLU 115 Cb 1.31 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 29.72 3hh0 h GLU 115 CO 0.40 0.18 -0.17 1.03 -1.18 0.00 0.00 179.01 179.26 3hh0 s ARG 116 N -3.14 0.82 -0.18 1.92 1.81 -1.26 -5.15 118.95 113.77 3hh0 s ARG 116 Ca 0.02 -0.27 -0.04 0.00 -1.72 0.00 0.00 55.73 53.72 3hh0 s ARG 116 Cb 0.08 0.36 -0.02 0.00 -0.45 0.00 0.00 34.95 34.92 3hh0 s ARG 116 CO 0.76 -0.26 -0.03 0.14 -0.68 0.00 0.00 175.30 175.24 3hh0 s VAL 117 N -1.93 3.82 -0.49 3.52 -7.23 -1.26 -5.05 120.40 111.78 3hh0 s VAL 117 Ca -0.09 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 3hh0 s VAL 117 Cb -0.02 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.23 3hh0 s VAL 117 CO 0.01 0.46 1.32 0.21 -0.31 0.00 0.00 175.10 176.78 3hh0 s ASN 118 N 0.78 6.37 0.24 4.85 3.84 -1.26 -4.90 114.94 124.86 3hh0 s ASN 118 Ca -0.01 0.51 -0.11 0.00 0.21 0.00 0.00 52.86 53.46 3hh0 s ASN 118 Cb -0.14 -2.55 0.34 0.00 -0.55 0.00 0.00 41.25 38.35 3hh0 s ASN 118 CO 0.02 -1.46 1.60 1.62 -2.79 0.00 0.00 177.10 176.09 3hh0 h VAL 119 N 6.35 0.23 -0.20 -5.21 3.04 -1.98 1.14 116.25 119.63 3hh0 h VAL 119 Ca -0.26 -0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 3hh0 h VAL 119 Cb 1.08 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 3hh0 h VAL 119 CO 1.13 0.00 0.10 0.00 -1.01 0.00 0.00 177.57 177.79 3hh0 h ALA 120 N 1.77 0.26 -0.71 3.17 0.00 -1.99 0.74 119.26 122.50 3hh0 h ALA 120 Ca 0.38 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3hh0 h ALA 120 Cb 0.59 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hh0 h ALA 120 CO -0.79 -0.18 0.23 1.25 0.00 0.00 0.00 179.25 179.76 3hh0 h LEU 121 N 0.20 1.02 0.10 0.00 5.85 -1.47 -1.34 115.31 119.67 3hh0 h LEU 121 Ca 0.07 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3hh0 h LEU 121 Cb 0.12 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hh0 h LEU 121 CO -0.01 0.95 -0.05 0.15 -0.34 0.00 0.00 178.44 179.15 3hh0 h PHE 122 N 1.04 -0.12 -0.62 1.25 3.57 0.15 -1.27 116.94 120.93 3hh0 h PHE 122 Ca 0.23 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3hh0 h PHE 122 Cb 0.29 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3hh0 h PHE 122 CO 0.02 0.01 0.39 1.03 -2.23 0.00 0.00 178.31 177.54 3hh0 h SER 123 N -0.23 0.66 -0.11 0.41 0.87 -0.70 0.99 113.55 115.43 3hh0 h SER 123 Ca -0.01 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 3hh0 h SER 123 Cb 0.19 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3hh0 h SER 123 CO 0.02 0.47 -0.27 0.77 -0.53 0.00 0.00 176.83 177.29 3hh0 h SER 124 N 0.79 0.58 -0.22 6.23 4.64 -1.16 0.19 113.55 124.59 3hh0 h SER 124 Ca 0.24 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3hh0 h SER 124 Cb -0.03 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3hh0 h SER 124 CO -0.08 0.83 -0.03 0.15 -0.87 0.00 0.00 176.83 176.82 3hh0 h PHE 125 N 0.49 0.46 -0.45 4.77 3.04 -0.77 -2.38 116.94 122.09 3hh0 h PHE 125 Ca 0.07 -0.09 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 3hh0 h PHE 125 Cb 0.73 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 3hh0 h PHE 125 CO 0.03 0.63 0.08 1.25 -2.02 0.00 0.00 178.31 178.28 3hh0 h LEU 126 N 0.15 0.65 -1.64 0.59 7.12 -0.60 -2.01 115.31 119.56 3hh0 h LEU 126 Ca 0.06 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 3hh0 h LEU 126 Cb 0.47 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 3hh0 h LEU 126 CO 0.02 0.67 0.14 1.56 -0.13 0.00 0.00 178.44 180.70 3hh0 h GLN 127 N 0.67 0.38 -1.01 1.25 1.08 -0.41 -1.33 115.11 115.74 3hh0 h GLN 127 Ca 0.15 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.46 3hh0 h GLN 127 Cb 0.30 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.56 3hh0 h GLN 127 CO 0.00 0.29 0.63 1.15 -0.95 0.00 0.00 178.83 179.95 3hh0 h THR 128 N 0.38 0.85 -0.00 -0.54 2.02 -0.84 1.50 112.91 116.28 3hh0 h THR 128 Ca 0.10 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hh0 h THR 128 Cb 0.03 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.29 3hh0 h THR 128 CO -0.02 0.17 -0.15 0.49 0.37 0.00 0.00 175.52 176.38 3hh0 n PHE 129 N -4.67 0.00 -0.97 3.16 3.72 -0.58 -5.14 117.46 112.99 3hh0 n PHE 129 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3hh0 n PHE 129 Cb 0.43 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3hh0 n PHE 129 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82