#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lo7 s ARG 3 N 0.00 4.01 -0.09 0.00 3.52 -1.26 -4.98 118.95 120.16 1lo7 s ARG 3 Ca 0.00 2.25 0.01 0.00 -0.13 0.00 0.00 55.73 57.86 1lo7 s ARG 3 Cb 0.00 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.27 1lo7 s ARG 3 CO 0.00 -1.07 -0.10 0.45 -0.81 0.00 0.00 175.30 173.77 1lo7 s SER 4 N 4.34 4.34 -0.05 -2.12 0.15 -1.26 -4.23 113.70 114.87 1lo7 s SER 4 Ca 0.81 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 57.36 1lo7 s SER 4 Cb -0.35 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.70 1lo7 s SER 4 CO 0.34 0.29 -0.21 -0.63 1.20 0.00 0.00 173.24 174.23 1lo7 s ILE 5 N -0.40 2.45 0.09 6.45 -1.09 0.29 -4.93 121.20 124.07 1lo7 s ILE 5 Ca 0.05 -0.94 0.09 0.00 -2.23 0.00 0.00 60.65 57.62 1lo7 s ILE 5 Cb -0.12 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.81 1lo7 s ILE 5 CO 0.02 0.58 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.18 1lo7 s THR 6 N -0.44 2.44 0.04 2.92 2.01 -1.26 -0.88 115.64 120.47 1lo7 s THR 6 Ca 0.05 -1.51 -0.10 0.00 0.31 0.00 0.00 61.69 60.44 1lo7 s THR 6 Cb -0.12 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.35 1lo7 s THR 6 CO 0.01 0.21 0.21 0.00 -0.69 0.00 0.00 174.62 174.36 1lo7 s MET 7 N -1.76 0.71 0.13 4.92 0.23 -0.19 -4.99 119.30 118.34 1lo7 s MET 7 Ca 0.14 -0.62 0.05 0.00 -1.03 0.00 0.00 55.69 54.23 1lo7 s MET 7 Cb -0.10 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.45 1lo7 s MET 7 CO 0.06 -0.21 0.07 -0.65 -2.03 0.00 0.00 175.02 172.26 1lo7 s GLN 8 N -2.58 2.76 -0.12 3.16 -0.21 -1.26 0.14 119.66 121.54 1lo7 s GLN 8 Ca -0.05 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.45 1lo7 s GLN 8 Cb -0.01 -2.61 0.06 0.00 1.00 0.00 0.00 33.01 31.45 1lo7 s GLN 8 CO -0.04 0.52 0.23 -1.14 -2.12 0.00 0.00 175.29 172.73 1lo7 s GLN 9 N -2.71 0.11 0.08 2.91 2.00 -0.19 -4.97 119.66 116.90 1lo7 s GLN 9 Ca 0.29 0.65 -0.20 0.00 -2.00 0.00 0.00 55.36 54.10 1lo7 s GLN 9 Cb -0.11 -0.19 -0.07 0.00 0.80 0.00 0.00 33.01 33.44 1lo7 s GLN 9 CO 0.21 -0.32 0.60 0.50 -0.50 0.00 0.00 175.29 175.79 1lo7 s ARG 10 N 2.37 4.27 -0.05 1.67 3.52 -1.26 -0.48 118.95 128.99 1lo7 s ARG 10 Ca 0.02 0.80 -0.17 0.00 -0.13 0.00 0.00 55.73 56.26 1lo7 s ARG 10 Cb -0.12 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1lo7 s ARG 10 CO -0.08 0.59 0.45 0.42 -0.81 0.00 0.00 175.30 175.87 1lo7 s ILE 11 N -0.99 5.08 0.26 4.11 1.01 -0.62 -4.97 121.20 125.08 1lo7 s ILE 11 Ca 0.30 0.91 0.07 0.00 0.00 0.00 0.00 60.65 61.93 1lo7 s ILE 11 Cb -0.20 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1lo7 s ILE 11 CO 0.20 0.46 0.25 -1.61 0.00 0.00 0.00 174.94 174.24 1lo7 s GLU 12 N -0.27 2.99 0.22 2.79 0.41 -1.26 -0.65 118.70 122.94 1lo7 s GLU 12 Ca 0.25 -1.03 -0.07 0.00 -0.41 0.00 0.00 54.97 53.70 1lo7 s GLU 12 Cb -0.16 -2.62 0.32 0.00 -1.78 0.00 0.00 34.13 29.89 1lo7 s GLU 12 CO 0.12 0.35 1.79 0.35 -0.49 0.00 0.00 175.26 177.38 1lo7 h PHE 13 N 1.38 0.66 0.00 1.61 3.57 -1.97 -0.77 116.94 121.42 1lo7 h PHE 13 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1lo7 h PHE 13 Cb 1.24 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1lo7 h PHE 13 CO 0.53 0.25 0.00 0.78 -2.23 0.00 0.00 178.31 177.64 1lo7 h GLY 14 N 0.63 0.00 1.42 2.40 0.00 -2.01 -2.15 103.07 103.36 1lo7 h GLY 14 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1lo7 h GLY 14 CO -0.25 0.00 -0.01 1.22 0.00 0.00 0.00 176.54 177.50 1lo7 n ASP 15 N -2.37 0.05 -4.83 0.19 8.00 -0.29 -4.85 116.55 112.44 1lo7 n ASP 15 Ca 0.02 -0.31 -0.26 0.00 0.71 0.00 0.00 54.79 54.94 1lo7 n ASP 15 Cb 0.23 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 1lo7 n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lo7 n ASP 17 N -0.35 1.19 0.31 0.00 5.68 -0.29 -4.77 116.55 118.31 1lo7 n ASP 17 Ca -0.08 -1.92 0.17 0.00 -0.50 0.00 0.00 54.79 52.47 1lo7 n ASP 17 Cb 0.54 -0.37 0.99 0.00 -1.14 0.00 0.00 41.12 41.15 1lo7 n ASP 17 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1lo7 h PRO 18 N 0.00 0.00 0.00 0.11 0.11 -2.00 0.53 132.00 130.75 1lo7 h PRO 18 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1lo7 h PRO 18 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1lo7 h PRO 18 CO 0.25 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.06 1lo7 n ALA 19 N -2.24 2.61 -1.06 -0.75 0.00 -1.26 -4.91 120.51 112.90 1lo7 n ALA 19 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 1lo7 n ALA 19 Cb 0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 1lo7 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lo7 n GLY 20 N 0.86 0.53 3.47 0.00 0.00 0.18 -5.04 105.19 105.19 1lo7 n GLY 20 Ca 0.20 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1lo7 n GLY 20 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lo7 s ILE 21 N -1.92 1.55 0.06 -0.61 -4.36 -1.26 -4.69 121.20 109.96 1lo7 s ILE 21 Ca 0.00 -2.06 -0.35 0.00 -0.26 0.00 0.00 60.65 57.99 1lo7 s ILE 21 Cb 0.00 -2.68 -0.14 0.00 1.25 0.00 0.00 42.46 40.89 1lo7 s ILE 21 CO 0.00 -0.13 1.65 0.52 0.24 0.00 0.00 174.94 177.22 1lo7 n VAL 22 N -0.70 0.19 -2.39 8.37 0.31 -0.26 -1.14 118.33 122.71 1lo7 n VAL 22 Ca -0.04 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 1lo7 n VAL 22 Cb 0.65 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 1lo7 n VAL 22 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1lo7 s TRP 23 N 1.95 2.88 0.37 3.52 -0.00 -0.19 -4.79 118.94 122.68 1lo7 s TRP 23 Ca 0.85 0.99 0.20 0.00 -0.00 0.00 0.00 56.10 58.13 1lo7 s TRP 23 Cb -0.73 -3.52 1.23 0.00 -0.00 0.00 0.00 33.47 30.45 1lo7 s TRP 23 CO 0.44 -1.80 1.64 0.10 -0.00 0.00 0.00 176.95 177.33 1lo7 h TYR 24 N 8.06 0.81 -0.03 5.86 -0.00 -1.90 -1.15 116.97 128.63 1lo7 h TYR 24 Ca -0.30 0.03 0.01 0.00 0.00 0.00 0.00 58.73 58.47 1lo7 h TYR 24 Cb 1.13 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 37.65 1lo7 h TYR 24 CO 0.78 -0.26 0.04 -1.35 -0.00 0.00 0.00 178.16 177.38 1lo7 h PRO 25 N 0.19 0.00 -0.77 0.10 0.11 -1.97 -0.53 132.00 129.13 1lo7 h PRO 25 Ca 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.89 1lo7 h PRO 25 Cb 2.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 33.08 1lo7 h PRO 25 CO -0.60 0.00 0.47 -0.91 -0.21 0.00 0.00 178.00 176.75 1lo7 h ASN 26 N 0.00 0.92 -0.91 -2.05 2.35 -1.55 -1.56 115.58 112.78 1lo7 h ASN 26 Ca 0.02 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1lo7 h ASN 26 Cb 0.10 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 1lo7 h ASN 26 CO -0.00 0.70 0.60 1.88 -1.65 0.00 0.00 177.43 178.96 1lo7 h TYR 27 N 1.06 1.12 -0.34 1.19 0.05 -1.25 -0.82 116.97 117.99 1lo7 h TYR 27 Ca 0.28 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.03 1lo7 h TYR 27 Cb -0.05 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.29 1lo7 h TYR 27 CO 0.00 0.67 -0.02 0.45 -1.05 0.00 0.00 178.16 178.22 1lo7 h HIS 28 N 1.18 0.56 -0.49 4.88 3.86 -1.33 0.31 115.15 124.12 1lo7 h HIS 28 Ca 0.35 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1lo7 h HIS 28 Cb -0.06 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1lo7 h HIS 28 CO -0.01 0.56 0.27 0.00 0.86 0.00 0.00 177.93 179.60 1lo7 h ARG 29 N 0.51 0.68 -0.38 2.45 3.08 -0.68 -0.03 114.38 120.01 1lo7 h ARG 29 Ca 0.11 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1lo7 h ARG 29 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1lo7 h ARG 29 CO 0.01 0.54 -0.25 -1.49 -1.07 0.00 0.00 179.97 177.72 1lo7 h TRP 30 N 0.65 0.89 -0.78 3.04 6.55 -0.22 -1.97 115.95 124.11 1lo7 h TRP 30 Ca 0.17 -0.21 -0.02 0.00 0.95 0.00 0.00 58.89 59.78 1lo7 h TRP 30 Cb 0.06 -0.21 -0.04 0.00 -0.86 0.00 0.00 29.16 28.11 1lo7 h TRP 30 CO -0.02 0.94 0.40 -0.07 -1.05 0.00 0.00 178.44 178.65 1lo7 h LEU 31 N 0.67 0.99 -0.90 -4.49 3.38 -0.08 0.20 115.31 115.09 1lo7 h LEU 31 Ca 0.09 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1lo7 h LEU 31 Cb 0.76 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1lo7 h LEU 31 CO 0.06 0.82 0.19 -0.78 0.09 0.00 0.00 178.44 178.83 1lo7 h ASP 32 N 1.09 0.93 -0.31 -0.43 3.58 -0.72 0.12 116.42 120.69 1lo7 h ASP 32 Ca 0.27 -0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 1lo7 h ASP 32 Cb 0.07 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1lo7 h ASP 32 CO -0.04 0.88 -0.42 0.00 -2.88 0.00 0.00 179.24 176.78 1lo7 h ALA 33 N 1.24 0.59 -0.30 -0.78 0.00 -0.90 -2.55 119.26 116.57 1lo7 h ALA 33 Ca 0.21 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1lo7 h ALA 33 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1lo7 h ALA 33 CO -0.01 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.75 1lo7 h ALA 34 N 0.81 1.15 -0.41 0.00 0.00 -0.10 0.85 119.26 121.55 1lo7 h ALA 34 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1lo7 h ALA 34 Cb 1.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1lo7 h ALA 34 CO 0.10 0.54 0.26 1.03 0.00 0.00 0.00 179.25 181.17 1lo7 h SER 35 N 0.48 0.49 -0.06 0.00 0.87 -0.58 -1.33 113.55 113.41 1lo7 h SER 35 Ca 0.08 -0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.40 1lo7 h SER 35 Cb 0.58 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1lo7 h SER 35 CO 0.04 0.38 -0.73 -0.09 -0.53 0.00 0.00 176.83 175.89 1lo7 h ARG 36 N 0.55 0.71 -0.79 2.24 2.43 -1.26 -2.97 114.38 115.29 1lo7 h ARG 36 Ca 0.15 -0.56 0.05 0.00 -0.81 0.00 0.00 59.98 58.82 1lo7 h ARG 36 Cb -0.03 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1lo7 h ARG 36 CO -0.03 1.17 0.52 -0.97 -1.51 0.00 0.00 179.97 179.15 1lo7 h ASN 37 N 0.49 0.79 0.14 -3.80 -1.24 -0.67 -0.07 115.58 111.22 1lo7 h ASN 37 Ca -0.04 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1lo7 h ASN 37 Cb 1.34 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1lo7 h ASN 37 CO 0.15 0.52 -0.07 0.22 -1.29 0.00 0.00 177.43 176.96 1lo7 h TYR 38 N 0.90 -0.19 -0.65 0.67 3.20 -1.09 0.13 116.97 119.94 1lo7 h TYR 38 Ca 0.33 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 1lo7 h TYR 38 Cb 0.16 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1lo7 h TYR 38 CO -0.00 -0.12 0.24 0.74 -1.64 0.00 0.00 178.16 177.38 1lo7 h PHE 39 N -0.20 1.02 -0.62 -3.82 0.04 -1.29 -0.25 116.94 111.82 1lo7 h PHE 39 Ca -0.02 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1lo7 h PHE 39 Cb 0.16 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 1lo7 h PHE 39 CO -0.07 0.81 0.33 0.82 -0.60 0.00 0.00 178.31 179.60 1lo7 h ILE 40 N 0.93 1.20 0.00 -0.55 1.08 -0.79 -1.59 117.51 117.79 1lo7 h ILE 40 Ca 0.22 -0.52 -0.08 0.00 -0.39 0.00 0.00 64.86 64.09 1lo7 h ILE 40 Cb 0.25 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1lo7 h ILE 40 CO -0.01 0.22 -0.37 0.11 -0.69 0.00 0.00 178.15 177.41 1lo7 h LYS 41 N 0.85 0.00 0.00 2.37 1.79 -0.53 -1.49 116.57 119.57 1lo7 h LYS 41 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1lo7 h LYS 41 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1lo7 h LYS 41 CO -0.03 0.37 0.00 0.00 -1.08 0.00 0.00 179.45 178.70 1lo7 n GLY 43 N 0.92 0.80 3.82 0.00 0.00 -0.56 -4.57 105.19 105.60 1lo7 n GLY 43 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1lo7 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lo7 s LEU 44 N 0.00 3.54 0.78 0.99 1.02 -0.68 -5.01 118.68 119.32 1lo7 s LEU 44 Ca 0.00 1.71 -0.12 0.00 0.02 0.00 0.00 54.13 55.74 1lo7 s LEU 44 Cb 0.00 -4.52 0.06 0.00 0.02 0.00 0.00 46.19 41.75 1lo7 s LEU 44 CO 0.00 -0.93 1.11 -2.84 0.02 0.00 0.00 176.35 173.72 1lo7 s PRO 45 N -4.10 2.20 0.62 1.29 0.02 -1.26 -4.51 135.00 129.26 1lo7 s PRO 45 Ca 0.61 0.49 -0.18 0.00 0.02 0.00 0.00 61.00 61.94 1lo7 s PRO 45 Cb -0.13 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1lo7 s PRO 45 CO 0.35 -1.51 1.18 -2.14 -0.33 0.00 0.00 177.00 174.56 1lo7 s PRO 46 N -5.28 2.85 0.45 5.54 0.01 -1.26 -4.74 135.00 132.57 1lo7 s PRO 46 Ca 0.60 1.72 0.16 0.00 0.01 0.00 0.00 61.00 63.50 1lo7 s PRO 46 Cb -0.13 -1.93 1.09 0.00 0.01 0.00 0.00 34.50 33.55 1lo7 s PRO 46 CO 0.53 -1.28 1.96 -1.49 0.01 0.00 0.00 177.00 176.73 1lo7 h TRP 47 N 0.59 0.38 -0.78 6.54 -0.00 -1.90 0.09 115.95 120.88 1lo7 h TRP 47 Ca -0.49 0.01 0.15 0.00 -0.00 0.00 0.00 58.89 58.56 1lo7 h TRP 47 Cb 1.29 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.16 30.27 1lo7 h TRP 47 CO 0.48 0.17 0.52 -0.09 -0.00 0.00 0.00 178.44 179.52 1lo7 h ARG 48 N 0.35 0.42 0.11 0.49 2.43 -1.90 0.88 114.38 117.16 1lo7 h ARG 48 Ca 0.30 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 59.16 1lo7 h ARG 48 Cb 0.70 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1lo7 h ARG 48 CO -0.08 0.28 -1.50 0.37 -1.51 0.00 0.00 179.97 177.53 1lo7 h GLN 49 N 0.43 0.24 -0.26 0.20 4.15 -1.37 -3.34 115.11 115.16 1lo7 h GLN 49 Ca 0.39 -0.41 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1lo7 h GLN 49 Cb 0.88 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1lo7 h GLN 49 CO -0.13 1.19 0.08 1.79 -1.93 0.00 0.00 178.83 179.84 1lo7 h THR 50 N -0.28 1.12 -0.65 2.39 1.35 -0.65 -1.03 112.91 115.16 1lo7 h THR 50 Ca -0.33 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.10 1lo7 h THR 50 Cb 1.78 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 1lo7 h THR 50 CO 0.05 0.14 0.19 1.62 -0.25 0.00 0.00 175.52 177.27 1lo7 h VAL 51 N 0.36 1.24 -0.16 6.82 3.04 -0.13 0.23 116.25 127.67 1lo7 h VAL 51 Ca 0.09 -0.85 -0.06 0.00 -1.01 0.00 0.00 66.70 64.86 1lo7 h VAL 51 Cb 0.11 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1lo7 h VAL 51 CO -0.01 0.33 -0.15 0.58 -1.01 0.00 0.00 177.57 177.31 1lo7 h VAL 52 N 0.96 1.34 -0.01 1.51 2.07 -1.49 -1.34 116.25 119.29 1lo7 h VAL 52 Ca 0.21 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1lo7 h VAL 52 Cb 0.29 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1lo7 h VAL 52 CO -0.01 0.39 -0.00 -0.08 0.02 0.00 0.00 177.57 177.89 1lo7 h GLU 53 N 0.02 0.02 0.00 1.57 4.81 -1.05 -3.41 114.58 116.54 1lo7 h GLU 53 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1lo7 h GLU 53 Cb 0.69 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1lo7 h GLU 53 CO 0.04 0.35 0.00 2.89 -0.73 0.00 0.00 179.01 181.56 1lo7 n ARG 54 N -4.91 0.26 -0.44 1.92 1.85 -0.00 -5.03 116.66 110.30 1lo7 n ARG 54 Ca -0.08 -0.44 0.00 0.00 -1.00 0.00 0.00 57.85 56.33 1lo7 n ARG 54 Cb 0.18 -0.62 0.00 0.00 -1.05 0.00 0.00 32.46 30.97 1lo7 n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1lo7 n GLY 55 N -0.06 1.07 3.65 2.89 0.00 -0.51 -4.97 105.19 107.26 1lo7 n GLY 55 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1lo7 n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lo7 s ILE 56 N -3.05 4.06 -0.73 -0.61 1.01 -1.13 -4.18 121.20 116.57 1lo7 s ILE 56 Ca 0.00 1.26 0.24 0.00 0.00 0.00 0.00 60.65 62.15 1lo7 s ILE 56 Cb 0.00 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1lo7 s ILE 56 CO 0.00 -0.21 1.19 1.33 0.00 0.00 0.00 174.94 177.26 1lo7 n VAL 57 N 5.68 0.17 -1.18 2.92 0.24 0.18 -1.90 118.33 124.43 1lo7 n VAL 57 Ca 0.15 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1lo7 n VAL 57 Cb 0.45 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1lo7 n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lo7 n GLY 58 N 1.40 0.53 2.58 7.63 0.00 -1.25 -4.88 105.19 111.19 1lo7 n GLY 58 Ca 0.03 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1lo7 n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lo7 n THR 59 N 9.00 0.83 -1.58 2.61 -2.24 -1.26 -1.90 114.28 119.74 1lo7 n THR 59 Ca 0.00 -4.50 -0.36 0.00 -2.27 0.00 0.00 64.05 56.92 1lo7 n THR 59 Cb 0.00 -2.01 0.08 0.00 -2.10 0.00 0.00 70.33 66.30 1lo7 n THR 59 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1lo7 s PRO 60 N -1.30 2.31 0.05 -0.78 0.04 -1.13 -4.54 135.00 129.65 1lo7 s PRO 60 Ca 0.31 1.96 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 1lo7 s PRO 60 Cb 0.05 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1lo7 s PRO 60 CO -0.13 -1.75 0.57 -1.50 0.04 0.00 0.00 177.00 174.22 1lo7 s ILE 61 N -1.63 4.79 -0.03 0.56 2.07 -1.26 -1.92 121.20 123.78 1lo7 s ILE 61 Ca 0.80 1.22 0.07 0.00 -1.41 0.00 0.00 60.65 61.32 1lo7 s ILE 61 Cb -0.34 -3.90 -0.11 0.00 0.13 0.00 0.00 42.46 38.23 1lo7 s ILE 61 CO 0.42 0.52 0.12 1.33 -1.91 0.00 0.00 174.94 175.42 1lo7 n VAL 62 N 2.02 0.17 -3.50 4.00 0.24 0.38 -4.99 118.33 116.64 1lo7 n VAL 62 Ca -0.09 -0.22 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 1lo7 n VAL 62 Cb 0.51 -0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 1lo7 n VAL 62 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1lo7 s SER 63 N -3.22 -0.57 -0.09 -1.34 0.15 -1.07 -4.99 113.70 102.58 1lo7 s SER 63 Ca -0.03 0.33 -0.13 0.00 0.70 0.00 0.00 55.95 56.82 1lo7 s SER 63 Cb 0.04 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1lo7 s SER 63 CO 0.31 -0.76 0.34 0.00 1.20 0.00 0.00 173.24 174.33 1lo7 s ASN 65 N -0.39 2.75 0.09 0.00 3.84 -0.36 -4.99 114.94 115.88 1lo7 s ASN 65 Ca -0.05 -0.66 0.07 0.00 0.21 0.00 0.00 52.86 52.43 1lo7 s ASN 65 Cb -0.03 -0.79 -0.03 0.00 -0.55 0.00 0.00 41.25 39.85 1lo7 s ASN 65 CO 0.02 -0.22 -0.19 0.00 -2.79 0.00 0.00 177.10 173.92 1lo7 s ALA 66 N 1.72 1.62 -0.01 1.71 0.00 -1.26 -0.69 121.76 124.85 1lo7 s ALA 66 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1lo7 s ALA 66 Cb -0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1lo7 s ALA 66 CO -0.07 0.31 -0.06 -1.54 0.00 0.00 0.00 175.76 174.39 1lo7 s SER 67 N -1.81 0.81 -0.32 0.00 1.04 -0.26 -5.01 113.70 108.15 1lo7 s SER 67 Ca 0.04 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 1lo7 s SER 67 Cb -0.10 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.94 1lo7 s SER 67 CO 0.04 0.07 0.05 -0.36 0.98 0.00 0.00 173.24 174.01 1lo7 s PHE 68 N -0.03 3.29 -0.08 5.02 0.40 -1.26 -1.30 117.98 124.02 1lo7 s PHE 68 Ca 0.01 -1.77 -0.15 0.00 -0.60 0.00 0.00 56.93 54.42 1lo7 s PHE 68 Cb -0.04 -2.25 -0.29 0.00 0.51 0.00 0.00 43.02 40.95 1lo7 s PHE 68 CO -0.00 -0.79 0.62 0.28 0.70 0.00 0.00 175.22 176.03 1lo7 h VAL 69 N 6.37 1.04 -3.71 -0.44 2.07 -0.81 -3.49 116.25 117.27 1lo7 h VAL 69 Ca -0.21 -2.45 -0.08 0.00 0.82 0.00 0.00 66.70 64.78 1lo7 h VAL 69 Cb 1.07 2.77 -0.12 0.00 -1.52 0.00 0.00 31.29 33.49 1lo7 h VAL 69 CO 0.57 0.75 -0.22 0.00 0.02 0.00 0.00 177.57 178.69 1lo7 s THR 71 N -3.94 3.40 0.08 0.00 -4.23 -1.26 -4.75 115.64 104.94 1lo7 s THR 71 Ca 0.15 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1lo7 s THR 71 Cb 0.02 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 1lo7 s THR 71 CO -0.01 -0.47 0.07 0.00 -0.54 0.00 0.00 174.62 173.68 1lo7 s ALA 72 N -3.17 0.27 0.30 3.99 0.00 -1.26 -5.02 121.76 116.86 1lo7 s ALA 72 Ca 0.56 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1lo7 s ALA 72 Cb -0.11 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1lo7 s ALA 72 CO 0.48 -0.45 0.38 0.45 0.00 0.00 0.00 175.76 176.62 1lo7 s SER 73 N -2.92 0.74 0.36 0.00 0.15 -1.26 -1.11 113.70 109.67 1lo7 s SER 73 Ca 0.09 -1.42 -0.27 0.00 0.70 0.00 0.00 55.95 55.04 1lo7 s SER 73 Cb 0.07 0.58 -0.12 0.00 -1.71 0.00 0.00 66.02 64.84 1lo7 s SER 73 CO -0.08 -1.15 1.31 0.00 1.20 0.00 0.00 173.24 174.52 1lo7 n TYR 74 N -0.49 2.32 0.00 3.44 4.11 -1.26 -1.49 117.16 123.79 1lo7 n TYR 74 Ca 0.02 0.53 0.00 0.00 -0.00 0.00 0.00 57.90 58.45 1lo7 n TYR 74 Cb 0.63 -2.42 0.00 0.00 -0.00 0.00 0.00 39.34 37.55 1lo7 n TYR 74 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1lo7 n ASP 75 N 0.63 0.00 -4.77 9.48 8.00 0.17 -4.98 116.55 125.08 1lo7 n ASP 75 Ca 0.05 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.15 1lo7 n ASP 75 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1lo7 n ASP 75 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1lo7 s ASP 76 N -1.69 6.90 -0.31 -2.24 1.01 -0.56 -4.79 116.67 115.00 1lo7 s ASP 76 Ca 0.00 2.46 -0.09 0.00 0.71 0.00 0.00 52.55 55.64 1lo7 s ASP 76 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1lo7 s ASP 76 CO 0.00 -0.42 0.13 -0.69 0.21 0.00 0.00 175.17 174.40 1lo7 s VAL 77 N -1.21 4.42 0.21 -1.27 1.01 -1.26 -1.59 120.40 120.71 1lo7 s VAL 77 Ca 0.49 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1lo7 s VAL 77 Cb -0.35 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1lo7 s VAL 77 CO 0.46 0.07 0.54 -0.76 0.00 0.00 0.00 175.10 175.40 1lo7 s LEU 78 N 1.58 4.20 -0.17 3.92 1.43 0.37 -4.42 118.68 125.59 1lo7 s LEU 78 Ca 0.04 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1lo7 s LEU 78 Cb -0.17 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1lo7 s LEU 78 CO 0.05 -0.04 -0.15 -0.89 0.23 0.00 0.00 176.35 175.56 1lo7 s THR 79 N -1.75 2.60 -0.17 5.49 2.01 0.75 -1.02 115.64 123.55 1lo7 s THR 79 Ca 0.45 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1lo7 s THR 79 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1lo7 s THR 79 CO 0.21 0.51 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.98 1lo7 s ILE 80 N 1.08 3.82 -0.19 1.82 1.01 0.12 -0.67 121.20 128.20 1lo7 s ILE 80 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1lo7 s ILE 80 Cb -0.14 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1lo7 s ILE 80 CO -0.05 0.47 -0.09 -0.70 0.00 0.00 0.00 174.94 174.58 1lo7 s GLU 81 N 0.61 3.32 -0.04 2.79 2.12 0.28 -1.03 118.70 126.76 1lo7 s GLU 81 Ca -0.02 -0.67 0.06 0.00 0.36 0.00 0.00 54.97 54.69 1lo7 s GLU 81 Cb -0.14 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.40 1lo7 s GLU 81 CO 0.02 -0.09 -0.21 0.99 -0.54 0.00 0.00 175.26 175.43 1lo7 s THR 82 N 1.14 1.76 0.18 -1.70 2.01 -0.06 -0.45 115.64 118.52 1lo7 s THR 82 Ca 0.01 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 1lo7 s THR 82 Cb -0.14 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1lo7 s THR 82 CO -0.02 0.50 0.32 0.00 -0.69 0.00 0.00 174.62 174.72 1lo7 s ILE 84 N -3.97 5.21 0.02 0.00 -1.09 -1.26 -0.85 121.20 119.26 1lo7 s ILE 84 Ca 0.18 0.39 -0.12 0.00 -2.23 0.00 0.00 60.65 58.87 1lo7 s ILE 84 Cb 0.03 -3.66 -0.33 0.00 -1.58 0.00 0.00 42.46 36.91 1lo7 s ILE 84 CO 0.01 0.16 0.96 0.50 -1.23 0.00 0.00 174.94 175.34 1lo7 h LYS 85 N 8.26 0.45 -2.06 2.79 3.64 -1.23 -3.46 116.57 124.96 1lo7 h LYS 85 Ca -0.32 -0.76 -0.04 0.00 -1.27 0.00 0.00 60.65 58.25 1lo7 h LYS 85 Cb 1.17 0.28 -0.21 0.00 -0.41 0.00 0.00 32.23 33.06 1lo7 h LYS 85 CO 0.62 1.36 0.10 -2.00 -2.27 0.00 0.00 179.45 177.25 1lo7 s GLU 86 N -2.61 0.80 -0.22 1.90 2.12 -1.19 -4.98 118.70 114.53 1lo7 s GLU 86 Ca -0.09 0.98 -0.09 0.00 0.36 0.00 0.00 54.97 56.13 1lo7 s GLU 86 Cb 0.05 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.78 1lo7 s GLU 86 CO 0.91 -0.10 0.10 -1.58 -0.54 0.00 0.00 175.26 174.05 1lo7 s TRP 87 N 0.44 3.23 0.00 5.30 0.52 -1.26 -0.99 118.94 126.18 1lo7 s TRP 87 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.14 1lo7 s TRP 87 Cb -0.05 -2.18 0.00 0.00 -1.15 0.00 0.00 33.47 30.09 1lo7 s TRP 87 CO -0.00 0.01 0.00 0.54 0.02 0.00 0.00 176.95 177.52 1lo7 n ARG 88 N 4.12 0.00 0.00 4.98 1.74 -0.43 -5.02 116.66 122.05 1lo7 n ARG 88 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1lo7 n ARG 88 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1lo7 n ARG 88 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1lo7 n ARG 89 N 0.00 0.00 0.01 5.56 0.63 -1.26 -4.78 116.66 116.82 1lo7 n ARG 89 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1lo7 n ARG 89 Cb 0.00 -0.21 -0.01 0.00 0.45 0.00 0.00 32.46 32.69 1lo7 n ARG 89 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1lo7 n LYS 90 N -2.16 0.14 -4.36 -0.14 5.02 -1.26 -1.48 118.16 113.93 1lo7 n LYS 90 Ca 0.00 -0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.01 1lo7 n LYS 90 Cb 0.00 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.39 1lo7 n LYS 90 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lo7 s SER 91 N -3.42 4.17 0.04 4.39 1.04 -1.26 -4.12 113.70 114.55 1lo7 s SER 91 Ca 0.06 -1.22 -0.13 0.00 0.48 0.00 0.00 55.95 55.14 1lo7 s SER 91 Cb 0.16 -0.42 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1lo7 s SER 91 CO 0.82 -0.51 0.28 0.72 0.98 0.00 0.00 173.24 175.53 1lo7 s PHE 92 N -2.66 -0.07 -0.24 5.02 -0.71 -0.42 -1.31 117.98 117.58 1lo7 s PHE 92 Ca 0.38 -0.06 -0.07 0.00 -1.04 0.00 0.00 56.93 56.13 1lo7 s PHE 92 Cb 0.07 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 1lo7 s PHE 92 CO 0.20 -0.48 0.06 0.08 -1.34 0.00 0.00 175.22 173.75 1lo7 s VAL 93 N -2.46 4.29 -0.22 -2.49 1.01 -0.17 -1.52 120.40 118.85 1lo7 s VAL 93 Ca -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1lo7 s VAL 93 Cb -0.01 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1lo7 s VAL 93 CO -0.03 0.35 -0.04 -1.58 0.00 0.00 0.00 175.10 173.81 1lo7 s GLN 94 N 1.51 3.38 -0.13 2.72 0.74 0.15 -0.61 119.66 127.42 1lo7 s GLN 94 Ca 0.06 -0.63 -0.07 0.00 0.05 0.00 0.00 55.36 54.78 1lo7 s GLN 94 Cb -0.15 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 30.89 1lo7 s GLN 94 CO 0.03 -0.20 0.11 0.50 -0.55 0.00 0.00 175.29 175.18 1lo7 s ARG 95 N 1.48 3.49 -0.08 1.67 3.52 -0.03 -0.18 118.95 128.83 1lo7 s ARG 95 Ca 0.06 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 1lo7 s ARG 95 Cb -0.14 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1lo7 s ARG 95 CO -0.03 0.69 -0.12 -1.01 -0.81 0.00 0.00 175.30 174.02 1lo7 s HIS 96 N -0.78 1.53 -0.17 5.12 3.76 0.29 -1.53 115.29 123.52 1lo7 s HIS 96 Ca 0.13 -0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 54.41 1lo7 s HIS 96 Cb -0.12 -1.15 -0.00 0.00 1.11 0.00 0.00 32.58 32.42 1lo7 s HIS 96 CO 0.03 -0.35 -0.13 -1.12 -0.85 0.00 0.00 174.74 172.33 1lo7 s SER 97 N 0.89 3.85 -0.18 1.40 0.01 0.40 -1.30 113.70 118.77 1lo7 s SER 97 Ca -0.10 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 1lo7 s SER 97 Cb -0.15 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.45 1lo7 s SER 97 CO 0.01 0.07 -0.06 -0.69 0.41 0.00 0.00 173.24 172.98 1lo7 s VAL 98 N 0.90 3.50 0.23 3.43 1.01 0.27 -0.55 120.40 129.19 1lo7 s VAL 98 Ca -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1lo7 s VAL 98 Cb -0.15 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1lo7 s VAL 98 CO -0.01 0.47 0.07 -0.44 0.00 0.00 0.00 175.10 175.19 1lo7 s SER 99 N 0.83 1.18 0.05 3.32 0.01 0.16 0.21 113.70 119.46 1lo7 s SER 99 Ca -0.02 -1.32 -0.04 0.00 1.31 0.00 0.00 55.95 55.89 1lo7 s SER 99 Cb -0.15 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1lo7 s SER 99 CO 0.01 -0.68 0.06 0.00 0.41 0.00 0.00 173.24 173.04 1lo7 s ARG 100 N -4.00 0.61 -0.10 12.44 1.04 -0.38 -0.18 118.95 128.38 1lo7 s ARG 100 Ca 0.33 -0.93 -0.03 0.00 -1.04 0.00 0.00 55.73 54.07 1lo7 s ARG 100 Cb 0.07 0.23 -0.03 0.00 -2.04 0.00 0.00 34.95 33.18 1lo7 s ARG 100 CO 0.11 -0.15 0.01 0.99 -0.04 0.00 0.00 175.30 176.22 1lo7 s THR 101 N -3.16 4.36 0.58 4.99 2.01 -1.26 -0.16 115.64 123.00 1lo7 s THR 101 Ca -0.00 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 1lo7 s THR 101 Cb 0.02 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 1lo7 s THR 101 CO -0.07 0.58 1.01 0.28 -0.69 0.00 0.00 174.62 175.73 1lo7 s THR 102 N -0.68 4.66 -1.60 -0.82 -1.32 0.05 -4.92 115.64 111.02 1lo7 s THR 102 Ca 0.11 0.98 0.16 0.00 -1.21 0.00 0.00 61.69 61.73 1lo7 s THR 102 Cb -0.12 -3.82 0.34 0.00 -1.51 0.00 0.00 72.50 67.39 1lo7 s THR 102 CO 0.02 -0.99 1.44 -2.65 -2.21 0.00 0.00 174.62 170.23 1lo7 n PRO 103 N -2.36 0.32 0.00 7.08 -0.02 -1.26 -1.66 135.00 137.09 1lo7 n PRO 103 Ca 0.06 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 1lo7 n PRO 103 Cb 0.54 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 33.05 1lo7 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lo7 n GLY 104 N 0.07 -1.29 1.54 -1.23 0.00 -1.26 -4.83 105.19 98.19 1lo7 n GLY 104 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lo7 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lo7 n GLY 105 N 0.95 0.60 3.74 -0.02 0.00 -0.66 -5.00 105.19 104.80 1lo7 n GLY 105 Ca 0.07 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1lo7 n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lo7 s ASP 106 N -2.09 6.58 -0.34 1.61 1.01 -1.25 -4.92 116.67 117.27 1lo7 s ASP 106 Ca 0.00 0.69 -0.19 0.00 0.71 0.00 0.00 52.55 53.76 1lo7 s ASP 106 Cb 0.00 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1lo7 s ASP 106 CO 0.00 0.09 0.54 -0.69 0.21 0.00 0.00 175.17 175.32 1lo7 s VAL 107 N 0.32 5.00 -0.17 -1.27 1.01 -1.26 -0.77 120.40 123.26 1lo7 s VAL 107 Ca 0.21 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 1lo7 s VAL 107 Cb -0.14 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1lo7 s VAL 107 CO 0.08 -0.20 0.16 -1.10 0.00 0.00 0.00 175.10 174.04 1lo7 s GLN 108 N 2.45 3.99 0.06 2.72 -0.21 0.77 -4.94 119.66 124.51 1lo7 s GLN 108 Ca 0.20 -0.13 -0.30 0.00 0.02 0.00 0.00 55.36 55.15 1lo7 s GLN 108 Cb -0.15 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 1lo7 s GLN 108 CO 0.13 0.43 1.14 -1.17 -2.12 0.00 0.00 175.29 173.71 1lo7 s LEU 109 N -0.04 4.38 -0.26 2.90 2.96 -1.26 -1.25 118.68 126.10 1lo7 s LEU 109 Ca 0.12 1.96 -0.14 0.00 -0.22 0.00 0.00 54.13 55.84 1lo7 s LEU 109 Cb -0.12 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1lo7 s LEU 109 CO 0.01 -0.40 -0.35 0.52 -1.32 0.00 0.00 176.35 174.81 1lo7 n VAL 110 N 3.73 1.50 -3.68 1.68 0.31 0.13 -4.20 118.33 117.81 1lo7 n VAL 110 Ca 0.08 -0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 64.00 1lo7 n VAL 110 Cb 0.47 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 1lo7 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lo7 s MET 111 N -2.56 1.44 -0.01 5.55 0.23 -0.96 -0.12 119.30 122.88 1lo7 s MET 111 Ca -0.37 -0.79 -0.12 0.00 -1.03 0.00 0.00 55.69 53.39 1lo7 s MET 111 Cb 0.13 0.56 0.01 0.00 -1.53 0.00 0.00 34.83 34.00 1lo7 s MET 111 CO 0.47 -0.63 0.24 0.50 -2.03 0.00 0.00 175.02 173.57 1lo7 s ARG 112 N -3.85 0.59 -0.11 3.16 3.52 -0.42 -0.57 118.95 121.27 1lo7 s ARG 112 Ca 0.07 -0.27 -0.12 0.00 -0.13 0.00 0.00 55.73 55.28 1lo7 s ARG 112 Cb -0.02 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 1lo7 s ARG 112 CO -0.03 -0.15 0.33 0.00 -0.81 0.00 0.00 175.30 174.63 1lo7 s ALA 113 N -1.34 -0.81 -0.30 6.12 0.00 -0.42 -1.10 121.76 123.90 1lo7 s ALA 113 Ca -0.14 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 1lo7 s ALA 113 Cb -0.06 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1lo7 s ALA 113 CO 0.03 -0.17 0.05 -0.51 0.00 0.00 0.00 175.76 175.16 1lo7 s ASP 114 N -0.04 4.99 -0.12 0.00 1.01 0.14 -0.54 116.67 122.11 1lo7 s ASP 114 Ca -0.02 -0.99 -0.05 0.00 0.71 0.00 0.00 52.55 52.19 1lo7 s ASP 114 Cb -0.03 -1.80 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 1lo7 s ASP 114 CO 0.01 -0.24 0.09 -1.61 0.21 0.00 0.00 175.17 173.63 1lo7 s GLU 115 N 1.39 3.36 -0.25 8.23 2.02 0.75 -1.22 118.70 132.99 1lo7 s GLU 115 Ca -0.01 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 54.68 1lo7 s GLU 115 Cb -0.18 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 1lo7 s GLU 115 CO 0.01 0.69 0.02 0.42 0.02 0.00 0.00 175.26 176.42 1lo7 s ILE 116 N -0.81 3.78 0.38 -1.63 1.01 0.06 0.34 121.20 124.34 1lo7 s ILE 116 Ca 0.13 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1lo7 s ILE 116 Cb -0.12 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1lo7 s ILE 116 CO 0.03 0.32 0.10 -0.13 0.00 0.00 0.00 174.94 175.26 1lo7 s ARG 117 N 1.52 1.84 0.03 2.79 0.52 -0.57 -0.47 118.95 124.61 1lo7 s ARG 117 Ca 0.05 -2.10 -0.08 0.00 -0.52 0.00 0.00 55.73 53.09 1lo7 s ARG 117 Cb -0.15 -0.73 -0.00 0.00 0.52 0.00 0.00 34.95 34.58 1lo7 s ARG 117 CO 0.00 -0.38 0.15 0.14 0.02 0.00 0.00 175.30 175.23 1lo7 s VAL 118 N -3.24 0.11 0.15 3.52 -7.23 -0.81 -1.31 120.40 111.60 1lo7 s VAL 118 Ca 0.27 -0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 1lo7 s VAL 118 Cb 0.05 -0.81 -0.07 0.00 0.56 0.00 0.00 36.38 36.11 1lo7 s VAL 118 CO 0.14 -0.51 0.90 -0.36 -0.31 0.00 0.00 175.10 174.96 1lo7 s PHE 119 N -2.33 3.87 0.21 2.82 0.08 -1.26 -2.83 117.98 118.54 1lo7 s PHE 119 Ca -0.07 1.77 -0.03 0.00 0.12 0.00 0.00 56.93 58.71 1lo7 s PHE 119 Cb -0.02 -2.96 -0.03 0.00 -0.57 0.00 0.00 43.02 39.44 1lo7 s PHE 119 CO -0.03 0.34 0.19 0.00 -0.10 0.00 0.00 175.22 175.63 1lo7 s ALA 120 N -0.55 0.89 0.14 5.36 0.00 -0.80 -1.44 121.76 125.37 1lo7 s ALA 120 Ca 0.42 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.91 1lo7 s ALA 120 Cb -0.24 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1lo7 s ALA 120 CO 0.29 -0.64 -0.13 -1.64 0.00 0.00 0.00 175.76 173.65 1lo7 s MET 121 N -4.13 1.09 -0.38 0.00 -1.94 -0.34 -0.65 119.30 112.96 1lo7 s MET 121 Ca 0.35 -1.37 -0.09 0.00 -1.71 0.00 0.00 55.69 52.88 1lo7 s MET 121 Cb 0.06 -0.86 0.05 0.00 2.01 0.00 0.00 34.83 36.09 1lo7 s MET 121 CO 0.11 0.15 0.19 -0.80 -0.01 0.00 0.00 175.02 174.66 1lo7 s ASN 122 N -2.83 5.56 -0.98 3.03 0.01 -1.26 -0.82 114.94 117.65 1lo7 s ASN 122 Ca 0.14 -1.23 -0.15 0.00 -0.71 0.00 0.00 52.86 50.90 1lo7 s ASN 122 Cb -0.02 -1.96 0.18 0.00 0.41 0.00 0.00 41.25 39.86 1lo7 s ASN 122 CO 0.03 -0.42 1.09 -1.81 -1.51 0.00 0.00 177.10 174.48 1lo7 s ASP 123 N 1.70 6.84 1.40 -1.22 1.01 0.60 -4.85 116.67 122.14 1lo7 s ASP 123 Ca 0.01 -2.59 0.00 0.00 0.71 0.00 0.00 52.55 50.68 1lo7 s ASP 123 Cb -0.21 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1lo7 s ASP 123 CO 0.04 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.25 1lo7 n GLY 124 N 4.48 2.07 0.12 0.21 0.00 -1.26 -1.77 105.19 109.04 1lo7 n GLY 124 Ca 0.24 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1lo7 n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lo7 n GLU 125 N 12.79 0.46 -3.42 1.61 1.02 -1.26 -4.85 120.64 126.99 1lo7 n GLU 125 Ca 0.00 -0.24 -0.40 0.00 -0.02 0.00 0.00 57.16 56.50 1lo7 n GLU 125 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 1lo7 n GLU 125 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lo7 s ARG 126 N -2.70 3.82 0.34 3.49 0.52 -0.73 -5.07 118.95 118.62 1lo7 s ARG 126 Ca 0.20 -0.20 -0.28 0.00 -0.52 0.00 0.00 55.73 54.93 1lo7 s ARG 126 Cb 0.19 -3.72 -0.09 0.00 0.52 0.00 0.00 34.95 31.85 1lo7 s ARG 126 CO 0.57 -0.37 1.19 -1.17 0.02 0.00 0.00 175.30 175.55 1lo7 s LEU 127 N 2.01 4.39 -0.10 2.53 2.96 -1.26 -0.29 118.68 128.92 1lo7 s LEU 127 Ca 0.12 2.42 -0.05 0.00 -0.22 0.00 0.00 54.13 56.41 1lo7 s LEU 127 Cb -0.16 -3.77 0.05 0.00 0.50 0.00 0.00 46.19 42.81 1lo7 s LEU 127 CO 0.11 -0.44 0.23 -0.60 -1.32 0.00 0.00 176.35 174.33 1lo7 s ARG 128 N -1.84 0.17 0.47 1.98 6.06 -0.00 -4.91 118.95 120.89 1lo7 s ARG 128 Ca 0.50 0.52 -0.20 0.00 -2.50 0.00 0.00 55.73 54.05 1lo7 s ARG 128 Cb -0.34 -0.13 -0.09 0.00 0.06 0.00 0.00 34.95 34.45 1lo7 s ARG 128 CO 0.44 -0.18 0.99 0.00 -2.50 0.00 0.00 175.30 174.05 1lo7 s ALA 129 N 1.37 2.96 0.24 6.12 0.00 -1.26 -1.19 121.76 130.00 1lo7 s ALA 129 Ca -0.08 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.39 1lo7 s ALA 129 Cb -0.11 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1lo7 s ALA 129 CO -0.08 -0.14 -0.11 0.96 0.00 0.00 0.00 175.76 176.38 1lo7 s ILE 130 N -2.20 1.74 0.40 0.00 -4.36 -0.52 -4.93 121.20 111.33 1lo7 s ILE 130 Ca 0.63 -2.19 -0.27 0.00 -0.26 0.00 0.00 60.65 58.56 1lo7 s ILE 130 Cb -0.12 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.28 1lo7 s ILE 130 CO 0.20 -0.48 1.43 -0.70 0.24 0.00 0.00 174.94 175.63 1lo7 s GLU 131 N -3.67 4.00 0.03 0.37 2.12 -1.26 -4.49 118.70 115.79 1lo7 s GLU 131 Ca 0.25 2.45 -0.33 0.00 0.36 0.00 0.00 54.97 57.70 1lo7 s GLU 131 Cb 0.01 -2.87 -0.12 0.00 0.26 0.00 0.00 34.13 31.41 1lo7 s GLU 131 CO 0.09 -0.57 1.81 0.28 -0.54 0.00 0.00 175.26 176.32 1lo7 n VAL 132 N 0.27 0.41 -1.71 3.70 0.31 -0.55 -4.86 118.33 115.91 1lo7 n VAL 132 Ca 0.02 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 1lo7 n VAL 132 Cb 0.41 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.42 1lo7 n VAL 132 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1lo7 n PRO 133 N 5.71 2.78 -0.32 5.55 -0.02 -1.26 -4.88 135.00 142.56 1lo7 n PRO 133 Ca 0.20 1.00 0.06 0.00 -2.02 0.00 0.00 63.50 62.75 1lo7 n PRO 133 Cb 0.32 -2.86 0.27 0.00 -0.02 0.00 0.00 33.50 31.21 1lo7 n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lo7 h ALA 134 N 7.11 1.57 -0.16 3.55 0.00 -2.00 -0.93 119.26 128.40 1lo7 h ALA 134 Ca -0.44 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1lo7 h ALA 134 Cb 1.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1lo7 h ALA 134 CO 0.95 0.24 -0.12 0.38 0.00 0.00 0.00 179.25 180.70 1lo7 h ASP 135 N 0.96 0.24 -0.15 0.00 2.03 -2.00 -1.72 116.42 115.79 1lo7 h ASP 135 Ca 0.43 -0.05 -0.20 0.00 -0.73 0.00 0.00 57.03 56.48 1lo7 h ASP 135 Cb 0.38 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1lo7 h ASP 135 CO -0.19 0.40 -0.66 1.88 -1.03 0.00 0.00 179.24 179.63 1lo7 h TYR 136 N 0.25 1.00 -0.78 4.15 0.05 -1.57 -2.16 116.97 117.92 1lo7 h TYR 136 Ca 0.05 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1lo7 h TYR 136 Cb 0.38 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1lo7 h TYR 136 CO 0.01 1.22 0.50 0.82 -1.05 0.00 0.00 178.16 179.66 1lo7 h ILE 137 N 0.56 1.21 -0.64 -2.88 2.04 -0.97 -0.97 117.51 115.85 1lo7 h ILE 137 Ca -0.02 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1lo7 h ILE 137 Cb 1.27 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1lo7 h ILE 137 CO 0.14 0.20 0.29 -0.08 0.00 0.00 0.00 178.15 178.70 1lo7 h GLU 138 N 1.06 0.94 -0.54 2.37 4.57 -1.16 -1.53 114.58 120.28 1lo7 h GLU 138 Ca 0.28 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1lo7 h GLU 138 Cb -0.10 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.30 1lo7 h GLU 138 CO -0.06 0.76 0.17 -0.07 -1.18 0.00 0.00 179.01 178.64 1lo7 h LEU 139 N 0.89 0.75 0.00 1.64 3.38 -0.80 -2.59 115.31 118.58 1lo7 h LEU 139 Ca 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1lo7 h LEU 139 Cb 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1lo7 h LEU 139 CO -0.02 0.70 -0.01 0.00 0.09 0.00 0.00 178.44 179.20