#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 3.82 -0.10 1.61 0.04 -1.26 -5.01 135.00 134.10 1xsb s PRO 2 Ca 0.00 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 1xsb s PRO 2 Cb 0.00 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1xsb s PRO 2 CO 0.00 -0.46 0.76 -1.17 0.04 0.00 0.00 177.00 176.17 1xsb s LEU 3 N -3.13 4.26 0.00 -3.56 2.96 -1.26 -4.92 118.68 113.04 1xsb s LEU 3 Ca 0.64 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1xsb s LEU 3 Cb -0.23 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.30 1xsb s LEU 3 CO 0.28 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 1xsb n GLY 4 N 3.26 1.45 3.66 7.98 0.00 -1.26 -5.08 105.19 115.20 1xsb n GLY 4 Ca 0.01 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1xsb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsb s SER 5 N 0.00 5.82 -0.14 1.61 0.15 -1.26 -5.08 113.70 114.80 1xsb s SER 5 Ca 0.00 0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.70 1xsb s SER 5 Cb 0.00 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1xsb s SER 5 CO 0.00 0.17 0.11 -0.32 1.20 0.00 0.00 173.24 174.40 1xsb s MET 6 N 0.41 3.61 0.47 5.44 1.75 -1.26 -5.04 119.30 124.68 1xsb s MET 6 Ca 0.05 -0.21 -0.19 0.00 -1.25 0.00 0.00 55.69 54.09 1xsb s MET 6 Cb -0.12 -3.19 -0.15 0.00 2.84 0.00 0.00 34.83 34.21 1xsb s MET 6 CO -0.00 0.60 -0.06 0.00 -0.65 0.00 0.00 175.02 174.91 1xsb n ALA 7 N 2.53 -3.03 -2.82 4.11 0.00 -1.26 -4.91 120.51 115.11 1xsb n ALA 7 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 1xsb n ALA 7 Cb 0.54 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 1xsb n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsb s LEU 8 N 4.80 4.17 0.10 0.00 1.02 -1.04 -5.02 118.68 122.71 1xsb s LEU 8 Ca 0.58 0.36 -0.25 0.00 0.02 0.00 0.00 54.13 54.83 1xsb s LEU 8 Cb -0.54 -2.01 -0.06 0.00 0.02 0.00 0.00 46.19 43.59 1xsb s LEU 8 CO 0.65 0.37 0.78 -0.60 0.02 0.00 0.00 176.35 177.58 1xsb s ARG 9 N -0.81 4.54 0.03 1.70 3.52 -1.26 -2.63 118.95 124.03 1xsb s ARG 9 Ca 0.13 1.13 -0.02 0.00 -0.13 0.00 0.00 55.73 56.84 1xsb s ARG 9 Cb -0.12 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1xsb s ARG 9 CO 0.03 0.39 0.01 0.00 -0.81 0.00 0.00 175.30 174.92 1xsb s ALA 10 N -0.47 0.13 -0.11 6.12 0.00 -0.07 -3.32 121.76 124.04 1xsb s ALA 10 Ca 0.38 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1xsb s ALA 10 Cb -0.22 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.15 1xsb s ALA 10 CO 0.25 -0.24 0.23 0.00 0.00 0.00 0.00 175.76 176.00 1xsb s GLY 12 N 1.95 2.83 -0.17 0.00 0.00 -1.09 -3.35 107.32 107.49 1xsb s GLY 12 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1xsb s GLY 12 CO -0.08 -1.97 -0.13 1.08 0.00 0.00 0.00 173.10 172.01 1xsb s LEU 13 N -3.72 1.89 -0.71 0.66 1.43 -1.25 -3.91 118.68 113.07 1xsb s LEU 13 Ca 0.15 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 1xsb s LEU 13 Cb 0.01 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 45.09 1xsb s LEU 13 CO 0.10 -0.09 1.13 -0.63 0.23 0.00 0.00 176.35 177.09 1xsb s ILE 14 N 1.46 4.03 0.03 -0.59 1.01 -0.88 -4.48 121.20 121.78 1xsb s ILE 14 Ca 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.43 1xsb s ILE 14 Cb -0.14 -4.81 -0.06 0.00 0.01 0.00 0.00 42.46 37.46 1xsb s ILE 14 CO -0.10 -1.66 0.62 -0.63 0.00 0.00 0.00 174.94 173.17 1xsb s ILE 15 N 4.86 4.82 -0.06 2.92 1.01 -1.26 -0.25 121.20 133.22 1xsb s ILE 15 Ca 0.29 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.24 1xsb s ILE 15 Cb -0.12 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1xsb s ILE 15 CO 0.11 0.45 -0.01 0.72 0.00 0.00 0.00 174.94 176.21 1xsb s PHE 16 N -0.45 0.70 -0.26 3.97 -0.71 1.12 -2.04 117.98 120.31 1xsb s PHE 16 Ca 0.32 -0.19 -0.23 0.00 -1.04 0.00 0.00 56.93 55.78 1xsb s PHE 16 Cb -0.19 -0.77 -0.01 0.00 -1.21 0.00 0.00 43.02 40.85 1xsb s PHE 16 CO 0.19 -0.29 0.78 0.50 -1.34 0.00 0.00 175.22 175.05 1xsb s ARG 17 N 1.67 4.12 -0.08 1.99 3.52 0.26 -3.88 118.95 126.54 1xsb s ARG 17 Ca 0.00 0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 56.23 1xsb s ARG 17 Cb -0.13 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 1xsb s ARG 17 CO -0.04 -0.53 0.38 0.50 -0.81 0.00 0.00 175.30 174.80 1xsb s ARG 18 N 2.80 4.09 0.07 5.12 3.52 -1.26 -2.49 118.95 130.79 1xsb s ARG 18 Ca 0.32 0.32 -0.10 0.00 -0.13 0.00 0.00 55.73 56.14 1xsb s ARG 18 Cb -0.15 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.86 1xsb s ARG 18 CO 0.09 0.45 0.39 0.00 -0.81 0.00 0.00 175.30 175.41 1xsb h LEU 20 N 3.74 0.47 -8.44 0.00 3.38 -1.97 -3.42 115.31 109.06 1xsb h LEU 20 Ca -0.49 0.08 -0.40 0.00 0.09 0.00 0.00 57.88 57.15 1xsb h LEU 20 Cb 1.19 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.74 1xsb h LEU 20 CO 0.66 0.24 -0.77 0.27 0.09 0.00 0.00 178.44 178.93 1xsb s ILE 21 N -6.03 1.11 0.62 1.22 -0.00 -1.26 -5.10 121.20 111.76 1xsb s ILE 21 Ca -0.12 -1.40 -0.12 0.00 -0.00 0.00 0.00 60.65 59.01 1xsb s ILE 21 Cb 0.19 -1.16 -0.04 0.00 -0.00 0.00 0.00 42.46 41.46 1xsb s ILE 21 CO 0.77 -0.29 1.03 -2.16 -0.00 0.00 0.00 174.94 174.28 1xsb s PRO 22 N -1.99 3.55 0.00 0.37 0.04 -1.26 -5.00 135.00 130.70 1xsb s PRO 22 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1xsb s PRO 22 Cb -0.08 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1xsb s PRO 22 CO 0.02 -0.61 0.00 1.63 0.04 0.00 0.00 177.00 178.08 1xsb n LYS 23 N -2.63 0.00 -0.50 4.56 4.01 -1.26 -4.76 118.16 117.58 1xsb n LYS 23 Ca 0.06 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.95 1xsb n LYS 23 Cb 0.54 -0.19 0.28 0.00 -0.51 0.00 0.00 35.03 35.15 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsb n VAL 24 N -1.89 2.27 -3.60 -0.18 0.31 -1.26 -4.94 118.33 109.04 1xsb n VAL 24 Ca 0.00 -1.74 -0.23 0.00 -0.01 0.00 0.00 64.34 62.37 1xsb n VAL 24 Cb 0.00 -0.20 0.07 0.00 -0.91 0.00 0.00 33.84 32.80 1xsb n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsb n ASP 25 N -0.23 -4.53 0.23 4.52 10.43 -1.26 -4.75 116.55 120.95 1xsb n ASP 25 Ca 0.22 -0.62 0.00 0.00 2.57 0.00 0.00 54.79 56.96 1xsb n ASP 25 Cb 0.91 -4.83 0.00 0.00 1.84 0.00 0.00 41.12 39.04 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xsb n ASN 26 N -3.03 -3.84 -0.63 -2.24 2.85 -1.26 -4.88 115.26 102.22 1xsb n ASN 26 Ca -0.10 0.88 0.03 0.00 -0.11 0.00 0.00 54.58 55.28 1xsb n ASN 26 Cb 0.60 3.58 0.11 0.00 1.24 0.00 0.00 39.78 45.31 1xsb n ASN 26 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1xsb n ASN 27 N -3.47 1.73 -0.23 1.20 3.02 -1.26 -4.23 115.26 112.02 1xsb n ASN 27 Ca 0.00 -2.12 0.13 0.00 -0.03 0.00 0.00 54.58 52.56 1xsb n ASN 27 Cb 0.00 -0.33 0.43 0.00 -0.61 0.00 0.00 39.78 39.27 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsb h ALA 28 N 3.06 1.95 -3.80 5.41 0.00 -1.94 -3.40 119.26 120.53 1xsb h ALA 28 Ca 0.00 0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.23 1xsb h ALA 28 Cb 0.58 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.07 1xsb h ALA 28 CO 0.06 -0.18 -0.73 0.42 0.00 0.00 0.00 179.25 178.83 1xsb s ILE 29 N -5.57 3.43 0.16 0.00 1.01 -1.26 -3.60 121.20 115.37 1xsb s ILE 29 Ca -0.09 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.02 1xsb s ILE 29 Cb 0.22 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1xsb s ILE 29 CO 0.78 0.56 -0.21 -1.61 0.00 0.00 0.00 174.94 174.46 1xsb s GLU 30 N -0.89 1.32 0.16 2.79 0.41 -1.04 -4.18 118.70 117.29 1xsb s GLU 30 Ca 0.13 -1.39 0.10 0.00 -0.41 0.00 0.00 54.97 53.40 1xsb s GLU 30 Cb -0.11 -1.52 -0.04 0.00 -1.78 0.00 0.00 34.13 30.68 1xsb s GLU 30 CO 0.02 0.33 -0.21 -0.06 -0.49 0.00 0.00 175.26 174.85 1xsb s PHE 31 N -1.71 2.40 -0.12 1.61 0.08 -0.53 0.92 117.98 120.62 1xsb s PHE 31 Ca 0.15 -0.32 -0.24 0.00 0.12 0.00 0.00 56.93 56.64 1xsb s PHE 31 Cb -0.07 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1xsb s PHE 31 CO 0.07 0.45 0.75 -1.17 -0.10 0.00 0.00 175.22 175.22 1xsb s LEU 32 N -2.48 4.24 -0.04 -0.37 2.96 -0.87 -3.64 118.68 118.47 1xsb s LEU 32 Ca 0.20 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.29 1xsb s LEU 32 Cb -0.09 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1xsb s LEU 32 CO 0.10 -0.26 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.97 1xsb s LEU 33 N 1.51 1.83 -0.04 -0.68 1.43 -1.13 -4.65 118.68 116.95 1xsb s LEU 33 Ca 0.37 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1xsb s LEU 33 Cb -0.17 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1xsb s LEU 33 CO 0.15 0.11 0.01 -0.76 0.23 0.00 0.00 176.35 176.09 1xsb s LEU 34 N 0.21 3.59 -0.25 1.79 1.43 -1.20 -1.60 118.68 122.65 1xsb s LEU 34 Ca -0.06 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1xsb s LEU 34 Cb -0.12 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1xsb s LEU 34 CO 0.02 0.32 0.38 -1.58 0.23 0.00 0.00 176.35 175.72 1xsb s GLN 35 N -1.29 4.07 0.45 1.70 0.74 0.92 -2.50 119.66 123.74 1xsb s GLN 35 Ca 0.17 0.09 -0.25 0.00 0.05 0.00 0.00 55.36 55.42 1xsb s GLN 35 Cb -0.11 -3.62 -0.09 0.00 1.10 0.00 0.00 33.01 30.29 1xsb s GLN 35 CO 0.07 -0.20 1.35 0.00 -0.55 0.00 0.00 175.29 175.96 1xsb n ALA 36 N 5.05 1.64 1.33 1.58 0.00 -1.07 -0.08 120.51 128.95 1xsb n ALA 36 Ca -0.08 0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.74 1xsb n ALA 36 Cb 0.51 -2.33 0.63 0.00 0.00 0.00 0.00 19.45 18.26 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N -0.09 0.26 -4.20 0.00 3.41 0.33 -4.48 113.62 108.85 1xsb n SER 37 Ca 0.06 -0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.29 1xsb n SER 37 Cb 0.41 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1xsb n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xsb s ASP 38 N -2.62 0.16 0.00 4.04 -0.00 -1.26 -4.98 116.67 112.01 1xsb s ASP 38 Ca 0.25 -1.37 0.00 0.00 -0.00 0.00 0.00 52.55 51.43 1xsb s ASP 38 Cb 0.20 0.37 0.00 0.00 -0.00 0.00 0.00 42.92 43.49 1xsb s ASP 38 CO 0.50 -0.83 0.00 0.61 -0.00 0.00 0.00 175.17 175.44 1xsb n GLY 39 N -0.26 -1.55 0.00 0.21 0.00 -1.26 -3.36 105.19 98.97 1xsb n GLY 39 Ca 0.01 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 44.73 1xsb n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsb n ILE 40 N 0.00 0.00 -2.96 -0.61 -5.35 -1.26 -4.78 119.36 104.41 1xsb n ILE 40 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 1xsb n ILE 40 Cb 0.00 -0.56 0.04 0.00 -1.74 0.00 0.00 39.64 37.38 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsb n HIS 41 N -0.79 -1.61 -1.23 4.28 8.25 -1.21 -4.97 115.22 117.94 1xsb n HIS 41 Ca 0.06 0.49 -0.32 0.00 -0.26 0.00 0.00 57.72 57.69 1xsb n HIS 41 Cb 0.03 -3.61 0.11 0.00 1.12 0.00 0.00 29.99 27.63 1xsb n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsb s HIS 42 N -3.07 2.17 -0.16 4.41 -3.43 -1.26 -4.36 115.29 109.59 1xsb s HIS 42 Ca 0.28 1.64 -0.08 0.00 -0.80 0.00 0.00 55.06 56.10 1xsb s HIS 42 Cb -0.12 -3.27 -0.04 0.00 -1.43 0.00 0.00 32.58 27.71 1xsb s HIS 42 CO 0.35 -2.29 0.11 -1.58 -2.00 0.00 0.00 174.74 169.33 1xsb s TRP 43 N -2.49 3.44 -0.04 0.38 0.52 -1.26 -2.61 118.94 116.89 1xsb s TRP 43 Ca 0.67 0.35 -0.19 0.00 0.02 0.00 0.00 56.10 56.95 1xsb s TRP 43 Cb -0.23 -2.03 0.04 0.00 -1.15 0.00 0.00 33.47 30.10 1xsb s TRP 43 CO 0.51 0.45 0.42 0.95 0.02 0.00 0.00 176.95 179.31 1xsb s THR 44 N -0.26 0.04 0.75 2.01 -4.23 -1.04 -4.41 115.64 108.49 1xsb s THR 44 Ca 0.10 -0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 60.16 1xsb s THR 44 Cb -0.12 -0.72 0.03 0.00 1.34 0.00 0.00 72.50 73.03 1xsb s THR 44 CO 0.01 -0.17 1.03 -2.65 -0.54 0.00 0.00 174.62 172.30 1xsb n PRO 45 N 1.33 0.44 -1.57 3.99 -0.02 -1.26 -3.26 135.00 134.65 1xsb n PRO 45 Ca -0.20 0.21 -0.17 0.00 -2.02 0.00 0.00 63.50 61.32 1xsb n PRO 45 Cb 0.56 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 1xsb n PRO 45 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xsb n PRO 46 N -2.22 0.26 -4.02 0.52 -0.04 -1.26 -4.85 135.00 123.39 1xsb n PRO 46 Ca 0.13 -1.76 -0.22 0.00 -0.04 0.00 0.00 63.50 61.62 1xsb n PRO 46 Cb 0.50 -3.85 -0.03 0.00 -0.04 0.00 0.00 33.50 30.08 1xsb n PRO 46 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xsb s LYS 47 N 8.23 3.26 0.00 0.54 -2.85 -1.26 -3.92 119.74 123.74 1xsb s LYS 47 Ca 0.80 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 1xsb s LYS 47 Cb -0.03 -2.78 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 1xsb s LYS 47 CO 0.19 0.43 0.00 0.41 0.10 0.00 0.00 175.35 176.48 1xsb n GLY 48 N -1.26 2.56 3.76 0.59 0.00 -1.21 -4.98 105.19 104.65 1xsb n GLY 48 Ca -0.09 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1xsb n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsb s HIS 49 N -6.91 3.39 0.03 1.61 3.76 -1.26 -2.93 115.29 112.97 1xsb s HIS 49 Ca 0.00 0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 55.04 1xsb s HIS 49 Cb 0.00 -1.94 -0.06 0.00 1.11 0.00 0.00 32.58 31.69 1xsb s HIS 49 CO 0.00 0.52 0.59 0.54 -0.85 0.00 0.00 174.74 175.54 1xsb s VAL 50 N -0.62 4.83 0.72 -0.90 0.11 -1.21 -4.93 120.40 118.41 1xsb s VAL 50 Ca 0.12 1.25 -0.12 0.00 -2.93 0.00 0.00 61.98 60.30 1xsb s VAL 50 Cb -0.12 -3.93 0.18 0.00 -1.53 0.00 0.00 36.38 30.99 1xsb s VAL 50 CO 0.02 0.47 0.52 1.21 -3.33 0.00 0.00 175.10 173.99 1xsb n GLU 51 N 2.35 -2.84 0.00 1.54 4.07 -1.26 -4.91 120.64 119.59 1xsb n GLU 51 Ca -0.08 -0.86 -0.00 0.00 -0.06 0.00 0.00 57.16 56.16 1xsb n GLU 51 Cb 0.51 -0.94 -0.00 0.00 -0.06 0.00 0.00 31.44 30.95 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xsb h PRO 52 N 0.00 -0.00 -0.59 5.31 0.13 -1.99 -3.30 132.00 131.55 1xsb h PRO 52 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1xsb h PRO 52 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1xsb h PRO 52 CO 0.13 -0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.31 1xsb n GLY 53 N 1.11 0.50 3.84 1.56 0.00 -1.26 -4.82 105.19 106.12 1xsb n GLY 53 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xsb n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsb s GLU 54 N -1.40 4.04 0.74 1.61 2.12 -1.24 -5.05 118.70 119.51 1xsb s GLU 54 Ca 0.00 0.66 -0.11 0.00 0.36 0.00 0.00 54.97 55.88 1xsb s GLU 54 Cb 0.00 -2.61 0.04 0.00 0.26 0.00 0.00 34.13 31.81 1xsb s GLU 54 CO 0.00 0.26 1.08 0.34 -0.54 0.00 0.00 175.26 176.40 1xsb s ASP 55 N -2.08 4.85 -0.05 -1.70 -1.08 -1.26 -4.77 116.67 110.58 1xsb s ASP 55 Ca 0.49 1.76 -0.25 0.00 -0.52 0.00 0.00 52.55 54.04 1xsb s ASP 55 Cb -0.12 -2.51 -0.23 0.00 -1.46 0.00 0.00 42.92 38.60 1xsb s ASP 55 CO 0.19 -1.80 1.06 0.44 0.52 0.00 0.00 175.17 175.58 1xsb h ASP 56 N -0.91 0.17 -0.13 -0.34 3.32 -1.96 -2.97 116.42 113.60 1xsb h ASP 56 Ca -0.44 -0.73 -0.10 0.00 0.02 0.00 0.00 57.03 55.78 1xsb h ASP 56 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1xsb h ASP 56 CO 0.53 0.88 -0.32 0.25 -1.72 0.00 0.00 179.24 178.86 1xsb h LEU 57 N -0.52 0.50 -1.25 1.55 5.85 -1.97 -3.05 115.31 116.43 1xsb h LEU 57 Ca -0.02 -0.58 0.14 0.00 0.84 0.00 0.00 57.88 58.26 1xsb h LEU 57 Cb 0.89 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1xsb h LEU 57 CO 0.03 0.99 0.58 -0.33 -0.34 0.00 0.00 178.44 179.38 1xsb h GLU 58 N 0.04 0.72 -0.78 1.25 3.07 -1.97 0.64 114.58 117.55 1xsb h GLU 58 Ca -0.00 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1xsb h GLU 58 Cb 0.93 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.63 1xsb h GLU 58 CO 0.07 0.47 0.51 1.15 -1.40 0.00 0.00 179.01 179.81 1xsb h THR 59 N 0.74 1.15 -0.22 1.13 2.02 -1.44 0.66 112.91 116.95 1xsb h THR 59 Ca 0.45 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 67.22 1xsb h THR 59 Cb 0.67 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1xsb h THR 59 CO -0.21 0.18 -0.13 0.00 0.37 0.00 0.00 175.52 175.73 1xsb h ALA 60 N 1.31 0.31 0.09 6.16 0.00 -0.06 0.48 119.26 127.55 1xsb h ALA 60 Ca 0.30 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 60 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xsb h ALA 60 CO -0.09 0.18 -0.15 -0.07 0.00 0.00 0.00 179.25 179.11 1xsb h LEU 61 N 0.18 -0.41 -0.50 0.00 3.38 0.86 1.67 115.31 120.49 1xsb h LEU 61 Ca 0.05 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1xsb h LEU 61 Cb 0.63 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1xsb h LEU 61 CO 0.04 -0.22 0.04 0.03 0.09 0.00 0.00 178.44 178.42 1xsb h ARG 62 N -0.29 0.87 -0.34 1.13 3.08 0.33 -1.44 114.38 117.72 1xsb h ARG 62 Ca 0.02 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 1xsb h ARG 62 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1xsb h ARG 62 CO -0.08 0.88 -0.08 0.00 -1.07 0.00 0.00 179.97 179.62 1xsb h ALA 63 N 0.95 1.24 -0.46 0.04 0.00 0.43 0.61 119.26 122.06 1xsb h ALA 63 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xsb h ALA 63 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xsb h ALA 63 CO 0.02 0.50 0.28 1.15 0.00 0.00 0.00 179.25 181.20 1xsb h THR 64 N 0.52 1.15 0.19 0.00 2.02 0.31 0.14 112.91 117.24 1xsb h THR 64 Ca 0.10 -0.34 -0.30 0.00 0.77 0.00 0.00 66.41 66.64 1xsb h THR 64 Cb 0.46 0.54 0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1xsb h THR 64 CO 0.02 0.15 -1.27 -0.61 0.37 0.00 0.00 175.52 174.18 1xsb h GLN 65 N 0.62 0.52 -0.74 6.66 4.15 0.20 0.14 115.11 126.66 1xsb h GLN 65 Ca 0.17 -0.82 -0.03 0.00 0.77 0.00 0.00 58.65 58.73 1xsb h GLN 65 Cb 0.00 0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1xsb h GLN 65 CO -0.03 1.38 0.32 0.93 -1.93 0.00 0.00 178.83 179.51 1xsb h GLU 66 N 0.08 1.07 -0.36 1.69 5.08 0.32 3.06 114.58 125.52 1xsb h GLU 66 Ca -0.21 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1xsb h GLU 66 Cb 1.98 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1xsb h GLU 66 CO 0.24 0.85 0.00 0.39 -1.00 0.00 0.00 179.01 179.49 1xsb n GLU 67 N -4.30 2.35 0.00 2.33 1.02 0.48 -3.99 120.64 118.53 1xsb n GLU 67 Ca 0.07 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 1xsb n GLU 67 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsb n ALA 68 N 1.29 0.21 -0.50 0.62 0.00 0.28 -4.18 120.51 118.23 1xsb n ALA 68 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1xsb n ALA 68 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1xsb n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsb n GLY 69 N 0.03 0.93 3.51 0.00 0.00 1.02 0.46 105.19 111.12 1xsb n GLY 69 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -3.09 4.15 0.39 -0.61 1.01 -1.20 -4.77 121.20 117.09 1xsb s ILE 70 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1xsb s ILE 70 Cb 0.00 -2.86 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 1xsb s ILE 70 CO 0.00 0.45 -0.01 -0.70 0.00 0.00 0.00 174.94 174.68 1xsb s GLU 71 N 0.70 1.90 0.37 2.79 2.12 -1.26 -0.60 118.70 124.73 1xsb s GLU 71 Ca 0.00 -2.06 0.19 0.00 0.36 0.00 0.00 54.97 53.47 1xsb s GLU 71 Cb -0.14 -1.58 1.19 0.00 0.26 0.00 0.00 34.13 33.86 1xsb s GLU 71 CO 0.02 -0.03 1.67 0.00 -0.54 0.00 0.00 175.26 176.38 1xsb h ALA 72 N 1.85 2.20 0.00 6.30 0.00 -1.83 4.04 119.26 131.82 1xsb h ALA 72 Ca -0.43 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xsb h ALA 72 Cb 1.24 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xsb h ALA 72 CO 0.78 -0.79 -0.02 0.78 0.00 0.00 0.00 179.25 180.00 1xsb h GLY 73 N 0.26 0.00 0.00 0.00 0.00 -1.98 -1.84 103.07 99.51 1xsb h GLY 73 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1xsb h GLY 73 CO -0.52 0.00 -0.92 -1.06 0.00 0.00 0.00 176.54 174.04 1xsb n GLN 74 N -3.41 1.45 -4.48 4.80 6.02 1.31 -4.98 117.38 118.09 1xsb n GLN 74 Ca -0.02 -0.02 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 1xsb n GLN 74 Cb 0.12 -1.29 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 1xsb n GLN 74 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsb s LEU 75 N -2.98 1.95 -0.19 1.08 0.05 0.36 0.12 118.68 119.06 1xsb s LEU 75 Ca 0.04 -1.71 0.01 0.00 0.05 0.00 0.00 54.13 52.53 1xsb s LEU 75 Cb 0.12 0.02 0.03 0.00 -2.05 0.00 0.00 46.19 44.31 1xsb s LEU 75 CO 0.67 -0.97 -0.15 -0.89 -0.55 0.00 0.00 176.35 174.46 1xsb s THR 76 N -3.24 1.88 0.00 5.48 2.01 0.10 -4.67 115.64 117.20 1xsb s THR 76 Ca 0.26 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1xsb s THR 76 Cb 0.02 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1xsb s THR 76 CO 0.17 0.33 0.95 -0.63 -0.69 0.00 0.00 174.62 174.75 1xsb s ILE 77 N 1.32 4.86 0.06 1.82 -1.09 -1.26 -1.53 121.20 125.39 1xsb s ILE 77 Ca 0.01 1.99 -0.20 0.00 -2.23 0.00 0.00 60.65 60.22 1xsb s ILE 77 Cb -0.15 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.38 1xsb s ILE 77 CO -0.10 0.18 0.59 -0.63 -1.23 0.00 0.00 174.94 173.75 1xsb s ILE 78 N 0.91 4.75 0.10 2.92 1.09 0.75 -4.99 121.20 126.73 1xsb s ILE 78 Ca 0.50 1.26 0.01 0.00 -1.10 0.00 0.00 60.65 61.33 1xsb s ILE 78 Cb -0.21 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1xsb s ILE 78 CO 0.27 0.52 0.21 -1.61 -0.10 0.00 0.00 174.94 174.23 1xsb s GLU 79 N -0.90 3.34 0.00 2.79 2.02 -1.26 -4.42 118.70 120.27 1xsb s GLU 79 Ca 0.30 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1xsb s GLU 79 Cb -0.19 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1xsb s GLU 79 CO 0.19 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1xsb n GLY 80 N -0.00 2.55 3.42 -1.39 0.00 -1.26 -5.04 105.19 103.47 1xsb n GLY 80 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1xsb n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsb s PHE 81 N -2.52 3.01 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.68 1xsb s PHE 81 Ca 0.00 -0.55 -0.13 0.00 0.33 0.00 0.00 56.93 56.58 1xsb s PHE 81 Cb 0.00 -2.07 0.08 0.00 -1.31 0.00 0.00 43.02 39.72 1xsb s PHE 81 CO 0.00 -0.28 0.60 0.21 1.83 0.00 0.00 175.22 177.58 1xsb s LYS 82 N 1.02 0.60 0.16 10.12 2.20 -1.26 -4.63 119.74 127.94 1xsb s LYS 82 Ca 0.01 1.14 -0.19 0.00 -0.36 0.00 0.00 55.97 56.57 1xsb s LYS 82 Cb -0.14 0.19 0.05 0.00 -1.51 0.00 0.00 37.83 36.42 1xsb s LYS 82 CO 0.01 -0.16 0.52 1.03 -0.36 0.00 0.00 175.35 176.39 1xsb s ARG 83 N 1.78 1.25 -0.02 4.03 0.52 -1.26 -5.03 118.95 120.22 1xsb s ARG 83 Ca -0.09 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1xsb s ARG 83 Cb -0.07 0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.94 1xsb s ARG 83 CO -0.18 -0.53 -0.08 -1.83 0.02 0.00 0.00 175.30 172.71 1xsb s GLU 84 N -3.80 0.84 -0.31 3.54 1.03 -1.24 -1.06 118.70 117.69 1xsb s GLU 84 Ca 0.04 -0.25 -0.21 0.00 0.03 0.00 0.00 54.97 54.58 1xsb s GLU 84 Cb -0.00 -0.80 -0.01 0.00 -0.80 0.00 0.00 34.13 32.52 1xsb s GLU 84 CO -0.10 0.08 0.65 -0.51 -1.33 0.00 0.00 175.26 174.06 1xsb s LEU 85 N 0.25 4.15 -0.14 1.83 1.43 0.18 -4.68 118.68 121.70 1xsb s LEU 85 Ca -0.03 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1xsb s LEU 85 Cb -0.08 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1xsb s LEU 85 CO 0.00 -0.52 -0.15 0.20 0.23 0.00 0.00 176.35 176.11 1xsb s ASN 86 N 1.66 3.74 -0.10 2.29 -0.87 -1.25 -1.11 114.94 119.30 1xsb s ASN 86 Ca 0.26 -0.42 -0.30 0.00 -1.57 0.00 0.00 52.86 50.83 1xsb s ASN 86 Cb -0.15 -1.56 0.11 0.00 -0.02 0.00 0.00 41.25 39.62 1xsb s ASN 86 CO 0.12 0.13 0.88 -0.72 -2.57 0.00 0.00 177.10 174.94 1xsb s TYR 87 N 0.57 -0.45 -0.35 2.20 -0.85 -1.19 -4.90 117.35 112.39 1xsb s TYR 87 Ca -0.09 0.69 -0.11 0.00 -0.52 0.00 0.00 57.07 57.03 1xsb s TYR 87 Cb -0.16 0.46 0.01 0.00 0.38 0.00 0.00 41.96 42.64 1xsb s TYR 87 CO 0.04 -0.46 0.19 0.54 -1.52 0.00 0.00 175.55 174.34 1xsb s VAL 88 N -1.54 4.71 0.00 -3.49 0.11 -1.26 -0.27 120.40 118.66 1xsb s VAL 88 Ca -0.03 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1xsb s VAL 88 Cb -0.00 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1xsb s VAL 88 CO 0.02 -0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.70 1xsb n ALA 89 N 5.01 0.00 0.12 1.54 0.00 -1.05 -4.67 120.51 121.45 1xsb n ALA 89 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1xsb n ALA 89 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 1xsb n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xsb h ARG 90 N 0.00 -0.62 0.00 0.00 2.43 -2.04 -3.41 114.38 110.73 1xsb h ARG 90 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xsb h ARG 90 Cb 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1xsb h ARG 90 CO 0.00 -0.42 0.00 0.09 -1.51 0.00 0.00 179.97 178.13 1xsb n ASN 91 N -5.46 0.00 -3.96 -3.80 3.02 -1.26 -5.12 115.26 98.68 1xsb n ASN 91 Ca -0.07 -0.72 -0.18 0.00 -0.03 0.00 0.00 54.58 53.57 1xsb n ASN 91 Cb 0.38 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.39 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xsb s LYS 92 N 0.00 0.68 0.20 3.52 -2.85 -1.26 -5.06 119.74 114.97 1xsb s LYS 92 Ca 0.00 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.47 1xsb s LYS 92 Cb 0.00 -0.67 -0.08 0.00 -2.06 0.00 0.00 37.83 35.02 1xsb s LYS 92 CO 0.00 0.07 1.03 -1.25 0.10 0.00 0.00 175.35 175.30 1xsb s PRO 93 N 0.23 4.69 -0.20 1.78 0.04 -1.26 -2.54 135.00 137.75 1xsb s PRO 93 Ca -0.03 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1xsb s PRO 93 Cb -0.07 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1xsb s PRO 93 CO -0.00 0.24 -0.11 0.15 0.04 0.00 0.00 177.00 177.32 1xsb s LYS 94 N -0.69 2.12 -0.19 4.56 -0.14 0.63 -2.48 119.74 123.54 1xsb s LYS 94 Ca 0.46 -0.87 -0.22 0.00 -1.36 0.00 0.00 55.97 53.97 1xsb s LYS 94 Cb -0.28 -2.45 -0.02 0.00 -1.68 0.00 0.00 37.83 33.40 1xsb s LYS 94 CO 0.34 -0.42 0.71 0.99 -0.76 0.00 0.00 175.35 176.21 1xsb s THR 95 N 1.37 4.96 -0.18 2.17 2.01 -1.08 -3.16 115.64 121.73 1xsb s THR 95 Ca -0.01 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.35 1xsb s THR 95 Cb -0.16 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.36 1xsb s THR 95 CO -0.08 0.07 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.05 1xsb s VAL 96 N 2.06 1.95 -0.21 3.82 1.01 -0.27 -0.89 120.40 127.87 1xsb s VAL 96 Ca 0.32 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1xsb s VAL 96 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1xsb s VAL 96 CO 0.11 0.47 0.34 -0.63 0.00 0.00 0.00 175.10 175.39 1xsb s ILE 97 N 1.32 5.24 -0.12 2.22 -1.09 -1.01 0.50 121.20 128.26 1xsb s ILE 97 Ca 0.04 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1xsb s ILE 97 Cb -0.14 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1xsb s ILE 97 CO -0.12 0.28 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.43 1xsb s TYR 98 N 1.23 2.80 -0.06 3.97 2.02 -0.23 -2.68 117.35 124.40 1xsb s TYR 98 Ca 0.16 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1xsb s TYR 98 Cb -0.14 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1xsb s TYR 98 CO 0.07 -0.14 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.23 1xsb s TRP 99 N 0.17 2.84 0.18 2.71 0.51 -1.25 -4.00 118.94 120.11 1xsb s TRP 99 Ca -0.07 -0.07 -0.30 0.00 -2.12 0.00 0.00 56.10 53.54 1xsb s TRP 99 Cb -0.15 -1.69 -0.08 0.00 -0.81 0.00 0.00 33.47 30.74 1xsb s TRP 99 CO 0.05 0.25 1.13 -0.51 -0.51 0.00 0.00 176.95 177.36 1xsb s LEU 100 N -0.72 4.48 0.07 2.99 1.43 -1.26 -2.08 118.68 123.58 1xsb s LEU 100 Ca 0.11 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.38 1xsb s LEU 100 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.01 -0.27 -0.08 0.00 0.23 0.00 0.00 176.35 176.24 1xsb s ALA 101 N -0.20 0.80 -0.12 4.21 0.00 0.65 -0.18 121.76 126.92 1xsb s ALA 101 Ca 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1xsb s ALA 101 Cb -0.30 0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1xsb s ALA 101 CO 0.36 -0.08 -0.11 -2.00 0.00 0.00 0.00 175.76 173.92 1xsb s GLU 102 N -2.46 1.93 0.08 0.00 2.12 -0.58 0.36 118.70 120.15 1xsb s GLU 102 Ca -0.01 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 1xsb s GLU 102 Cb -0.04 -1.82 -0.06 0.00 0.26 0.00 0.00 34.13 32.48 1xsb s GLU 102 CO -0.01 -0.21 1.09 0.14 -0.54 0.00 0.00 175.26 175.72 1xsb s VAL 103 N 1.46 4.25 0.23 3.70 -7.23 -1.26 0.02 120.40 121.58 1xsb s VAL 103 Ca 0.02 1.73 -0.08 0.00 -1.81 0.00 0.00 61.98 61.84 1xsb s VAL 103 Cb -0.13 -4.11 0.22 0.00 0.56 0.00 0.00 36.38 32.92 1xsb s VAL 103 CO -0.08 0.20 1.91 0.11 -0.31 0.00 0.00 175.10 176.93 1xsb h LYS 104 N 6.17 1.20 -5.48 4.82 1.57 -0.66 -3.42 116.57 120.77 1xsb h LYS 104 Ca -0.42 -0.08 -0.64 0.00 -1.87 0.00 0.00 60.65 57.64 1xsb h LYS 104 Cb 1.21 -0.27 -0.10 0.00 0.08 0.00 0.00 32.23 33.16 1xsb h LYS 104 CO 0.76 0.80 -0.49 -0.51 -0.57 0.00 0.00 179.45 179.43 1xsb s ASP 105 N -6.04 6.24 0.05 0.86 -0.00 -1.26 -4.98 116.67 111.54 1xsb s ASP 105 Ca -0.13 0.34 -0.21 0.00 -0.00 0.00 0.00 52.55 52.55 1xsb s ASP 105 Cb 0.17 -2.05 -0.13 0.00 -0.00 0.00 0.00 42.92 40.90 1xsb s ASP 105 CO 0.80 0.30 1.44 1.88 -0.00 0.00 0.00 175.17 179.59 1xsb h TYR 106 N 5.78 0.31 -0.23 4.23 0.05 -2.01 -1.90 116.97 123.20 1xsb h TYR 106 Ca -0.48 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.23 1xsb h TYR 106 Cb 1.19 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1xsb h TYR 106 CO 0.67 0.56 0.00 -3.47 -1.05 0.00 0.00 178.16 174.87 1xsb n ASP 107 N -4.71 2.26 -4.40 3.88 4.64 -1.26 -4.94 116.55 112.01 1xsb n ASP 107 Ca -0.06 -2.21 -0.48 0.00 -1.38 0.00 0.00 54.79 50.67 1xsb n ASP 107 Cb 0.26 -0.42 -0.03 0.00 -1.04 0.00 0.00 41.12 39.88 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1xsb n VAL 108 N 0.25 1.93 -1.84 5.18 3.14 -0.72 -4.79 118.33 121.49 1xsb n VAL 108 Ca 0.10 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.59 1xsb n VAL 108 Cb 0.46 -0.04 0.03 0.00 -1.06 0.00 0.00 33.84 33.23 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -1.03 3.25 -0.24 1.45 -1.05 -1.26 -5.00 118.70 114.83 1xsb s GLU 109 Ca 0.64 2.20 0.02 0.00 -0.15 0.00 0.00 54.97 57.68 1xsb s GLU 109 Cb -0.90 -2.30 0.05 0.00 -0.44 0.00 0.00 34.13 30.53 1xsb s GLU 109 CO 0.57 -1.09 -0.12 0.42 0.95 0.00 0.00 175.26 175.99 1xsb s ILE 110 N -1.32 2.04 -0.31 1.83 -1.09 -1.25 -4.47 121.20 116.63 1xsb s ILE 110 Ca 0.70 -1.45 -0.09 0.00 -2.23 0.00 0.00 60.65 57.58 1xsb s ILE 110 Cb -0.39 -2.12 -0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1xsb s ILE 110 CO 0.47 0.06 0.15 -0.13 -1.23 0.00 0.00 174.94 174.25 1xsb s ARG 111 N 1.18 3.29 -0.12 2.79 0.52 1.61 -4.86 118.95 123.36 1xsb s ARG 111 Ca -0.06 -0.75 -0.07 0.00 -0.52 0.00 0.00 55.73 54.32 1xsb s ARG 111 Cb -0.19 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 1xsb s ARG 111 CO -0.06 -0.43 0.15 -0.51 0.02 0.00 0.00 175.30 174.46 1xsb s LEU 112 N 1.60 4.38 0.74 2.53 1.43 -1.26 1.00 118.68 129.10 1xsb s LEU 112 Ca 0.04 0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1xsb s LEU 112 Cb -0.17 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.04 1xsb s LEU 112 CO 0.06 0.39 1.06 -0.94 0.23 0.00 0.00 176.35 177.15 1xsb s SER 113 N -0.93 4.57 0.46 2.29 1.04 -1.26 -4.85 113.70 115.02 1xsb s SER 113 Ca 0.15 0.40 0.22 0.00 0.48 0.00 0.00 55.95 57.20 1xsb s SER 113 Cb -0.12 -0.95 1.23 0.00 0.10 0.00 0.00 66.02 66.27 1xsb s SER 113 CO 0.04 -1.77 1.87 -0.74 0.98 0.00 0.00 173.24 173.62 1xsb h HIS 114 N -0.74 0.35 -0.07 5.02 2.76 -1.99 0.39 115.15 120.87 1xsb h HIS 114 Ca -0.44 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 57.72 1xsb h HIS 114 Cb 1.31 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1xsb h HIS 114 CO 0.13 0.09 -0.06 0.93 -1.30 0.00 0.00 177.93 177.72 1xsb h GLU 115 N 0.26 0.10 -6.35 5.26 5.08 -1.95 -3.40 114.58 113.57 1xsb h GLU 115 Ca 0.45 -0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 58.11 1xsb h GLU 115 Cb 1.35 -0.02 -0.23 0.00 0.50 0.00 0.00 28.75 30.36 1xsb h GLU 115 CO -0.12 0.17 -0.77 -1.01 -1.00 0.00 0.00 179.01 176.28 1xsb s HIS 116 N -4.90 2.71 -0.11 4.33 3.76 0.14 0.12 115.29 121.34 1xsb s HIS 116 Ca -0.05 -0.15 0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1xsb s HIS 116 Cb 0.16 -1.61 -0.12 0.00 1.11 0.00 0.00 32.58 32.12 1xsb s HIS 116 CO 0.70 0.21 0.00 0.00 -0.85 0.00 0.00 174.74 174.80 1xsb n GLN 117 N 2.16 1.83 -3.79 1.40 10.64 0.88 -4.15 117.38 126.35 1xsb n GLN 117 Ca -0.17 0.01 -0.09 0.00 -1.83 0.00 0.00 57.00 54.92 1xsb n GLN 117 Cb 0.52 -1.27 -0.06 0.00 -0.86 0.00 0.00 30.24 28.57 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsb s ALA 118 N -2.26 -0.45 0.09 2.61 0.00 -1.24 -4.96 121.76 115.55 1xsb s ALA 118 Ca -0.08 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1xsb s ALA 118 Cb 0.03 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1xsb s ALA 118 CO 0.40 -0.57 -0.07 1.52 0.00 0.00 0.00 175.76 177.05 1xsb s TYR 119 N -3.85 0.87 0.02 0.00 1.13 -1.26 0.31 117.35 114.57 1xsb s TYR 119 Ca 0.05 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 54.91 1xsb s TYR 119 Cb 0.04 -0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 40.38 1xsb s TYR 119 CO -0.10 -0.12 -0.03 1.03 -2.51 0.00 0.00 175.55 173.81 1xsb s ARG 120 N -3.29 0.31 -0.38 -3.49 0.52 -0.63 -4.97 118.95 107.03 1xsb s ARG 120 Ca 0.07 -0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 54.60 1xsb s ARG 120 Cb 0.01 0.07 0.05 0.00 0.52 0.00 0.00 34.95 35.61 1xsb s ARG 120 CO -0.03 -0.04 0.19 -1.58 0.02 0.00 0.00 175.30 173.86 1xsb s TRP 121 N -1.38 3.30 0.35 -0.53 0.52 -1.26 -2.85 118.94 117.08 1xsb s TRP 121 Ca -0.15 -1.40 0.03 0.00 0.02 0.00 0.00 56.10 54.61 1xsb s TRP 121 Cb -0.10 -2.60 -0.05 0.00 -1.15 0.00 0.00 33.47 29.57 1xsb s TRP 121 CO -0.01 -0.77 0.08 -0.51 0.02 0.00 0.00 176.95 175.76 1xsb s LEU 122 N 1.44 2.09 0.00 2.99 1.02 -1.24 -4.91 118.68 120.06 1xsb s LEU 122 Ca 0.01 -1.47 -0.10 0.00 0.02 0.00 0.00 54.13 52.59 1xsb s LEU 122 Cb -0.21 -0.29 0.16 0.00 0.02 0.00 0.00 46.19 45.88 1xsb s LEU 122 CO 0.03 -0.71 0.99 0.61 0.02 0.00 0.00 176.35 177.29 1xsb n GLY 123 N -0.75 -0.91 0.37 -3.19 0.00 -1.26 -1.46 105.19 97.99 1xsb n GLY 123 Ca -0.04 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.21 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 1.05 0.44 0.99 5.85 -1.85 0.44 115.31 122.23 1xsb h LEU 124 Ca -0.32 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1xsb h LEU 124 Cb 0.95 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1xsb h LEU 124 CO 0.25 0.72 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.68 1xsb h GLU 125 N 1.22 -0.72 -0.11 1.25 4.57 -1.93 0.49 114.58 119.36 1xsb h GLU 125 Ca 0.39 0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.57 1xsb h GLU 125 Cb 0.01 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1xsb h GLU 125 CO -0.12 -0.48 -0.11 0.93 -1.18 0.00 0.00 179.01 178.05 1xsb h GLU 126 N -0.74 0.26 -0.87 1.92 3.07 -1.86 0.10 114.58 116.46 1xsb h GLU 126 Ca -0.04 -0.14 0.20 0.00 -0.50 0.00 0.00 59.36 58.88 1xsb h GLU 126 Cb 0.63 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.48 1xsb h GLU 126 CO 0.02 0.68 0.58 0.00 -1.40 0.00 0.00 179.01 178.89 1xsb h ALA 127 N 0.58 2.27 -0.05 3.43 0.00 -0.04 0.65 119.26 126.11 1xsb h ALA 127 Ca 0.02 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1xsb h ALA 127 Cb 0.63 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xsb h ALA 127 CO 0.03 -0.54 -0.90 0.00 0.00 0.00 0.00 179.25 177.84 1xsb h GLN 129 N 0.37 0.37 -0.37 0.00 -0.00 0.27 -3.04 115.11 112.71 1xsb h GLN 129 Ca -0.08 -0.10 -0.09 0.00 -0.00 0.00 0.00 58.65 58.37 1xsb h GLN 129 Cb 1.53 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 28.96 1xsb h GLN 129 CO 0.17 0.52 -0.12 -0.07 -0.00 0.00 0.00 178.83 179.33 1xsb h LEU 130 N 0.17 0.75 -4.62 0.06 3.38 -0.42 -3.11 115.31 111.53 1xsb h LEU 130 Ca 0.07 -0.38 -0.49 0.00 0.09 0.00 0.00 57.88 57.17 1xsb h LEU 130 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xsb h LEU 130 CO 0.01 0.96 2.23 0.00 0.09 0.00 0.00 178.44 181.73 1xsb n ALA 131 N -2.45 7.12 -0.40 1.53 0.00 -0.33 -4.01 120.51 121.97 1xsb n ALA 131 Ca -0.02 -2.88 0.35 0.00 0.00 0.00 0.00 53.44 50.89 1xsb n ALA 131 Cb 0.37 -2.97 0.59 0.00 0.00 0.00 0.00 19.45 17.44 1xsb n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xsb n GLN 132 N 3.16 -0.04 -1.68 0.00 1.13 -1.18 -3.78 117.38 115.01 1xsb n GLN 132 Ca 0.65 1.14 -0.49 0.00 -1.94 0.00 0.00 57.00 56.36 1xsb n GLN 132 Cb 0.50 -2.21 -0.05 0.00 0.11 0.00 0.00 30.24 28.59 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1xsb n PHE 133 N -4.57 2.24 -0.14 1.08 3.01 -1.26 -4.81 117.46 113.01 1xsb n PHE 133 Ca 0.36 0.16 0.06 0.00 1.01 0.00 0.00 57.45 59.03 1xsb n PHE 133 Cb 1.36 -2.59 0.38 0.00 -0.01 0.00 0.00 39.48 38.61 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsb h LYS 134 N 7.93 0.67 -0.74 -1.08 3.64 -1.96 -0.24 116.57 124.79 1xsb h LYS 134 Ca -0.47 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1xsb h LYS 134 Cb 1.28 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1xsb h LYS 134 CO 0.93 0.45 0.42 0.93 -2.27 0.00 0.00 179.45 179.90 1xsb h GLU 135 N 0.69 0.72 0.10 1.90 5.08 -1.89 0.79 114.58 121.97 1xsb h GLU 135 Ca 0.27 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 1xsb h GLU 135 Cb 0.20 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xsb h GLU 135 CO -0.08 0.48 -0.75 0.52 -1.00 0.00 0.00 179.01 178.18 1xsb h MET 136 N 0.74 0.33 -0.56 2.33 2.86 -1.57 0.40 114.93 119.46 1xsb h MET 136 Ca 0.34 -0.49 0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1xsb h MET 136 Cb 0.25 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1xsb h MET 136 CO -0.21 1.20 0.37 0.87 1.06 0.00 0.00 176.91 180.20 1xsb h LYS 137 N -0.30 0.43 -0.00 1.72 1.57 -0.73 1.46 116.57 120.73 1xsb h LYS 137 Ca -0.12 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1xsb h LYS 137 Cb 1.54 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1xsb h LYS 137 CO 0.14 0.28 -0.02 0.00 -0.57 0.00 0.00 179.45 179.29 1xsb h ALA 138 N 1.71 0.00 -0.28 3.86 0.00 0.67 0.13 119.26 125.34 1xsb h ALA 138 Ca 0.25 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xsb h ALA 138 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1xsb h ALA 138 CO -0.07 -0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.19 1xsb h ALA 139 N 0.21 0.32 0.00 0.00 0.00 0.91 2.25 119.26 122.95 1xsb h ALA 139 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xsb h ALA 139 Cb 0.81 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1xsb h ALA 139 CO 0.00 -0.30 -0.17 -0.07 0.00 0.00 0.00 179.25 178.71 1xsb h LEU 140 N 0.23 0.00 0.04 0.00 3.38 0.19 0.18 115.31 119.33 1xsb h LEU 140 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xsb h LEU 140 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xsb h LEU 140 CO -0.12 0.17 -0.02 1.56 0.09 0.00 0.00 178.44 180.12 1xsb h GLN 141 N 0.00 -0.05 -0.47 1.13 1.08 0.24 -2.85 115.11 114.19 1xsb h GLN 141 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1xsb h GLN 141 Cb 0.31 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1xsb h GLN 141 CO 0.02 0.60 -0.02 0.93 -0.95 0.00 0.00 178.83 179.41 1xsb h GLU 142 N -0.88 0.79 -0.14 1.46 5.08 0.37 -0.15 114.58 121.11 1xsb h GLU 142 Ca -0.01 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1xsb h GLU 142 Cb 0.68 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1xsb h GLU 142 CO 0.01 0.81 0.07 0.78 -1.00 0.00 0.00 179.01 179.68 1xsb h GLY 143 N 0.97 0.18 1.00 -3.84 0.00 -0.75 0.15 103.07 100.78 1xsb h GLY 143 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1xsb h GLY 143 CO 0.02 0.04 0.28 0.84 0.00 0.00 0.00 176.54 177.73 1xsb h HIS 144 N 0.15 0.91 -0.71 5.60 -0.00 -1.24 -1.07 115.15 118.79 1xsb h HIS 144 Ca 0.05 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1xsb h HIS 144 Cb 0.01 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 27.10 1xsb h HIS 144 CO -0.09 0.70 0.45 0.37 -0.00 0.00 0.00 177.93 179.37 1xsb h GLN 145 N 0.86 0.87 -0.04 5.26 5.75 -0.38 -2.26 115.11 125.18 1xsb h GLN 145 Ca 0.21 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1xsb h GLN 145 Cb 0.15 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 1xsb h GLN 145 CO -0.02 0.57 -0.07 0.35 -2.65 0.00 0.00 178.83 177.01 1xsb h PHE 146 N 0.89 0.15 -0.92 3.99 3.04 -0.37 -3.04 116.94 120.67 1xsb h PHE 146 Ca 0.28 -0.05 0.14 0.00 3.98 0.00 0.00 57.97 62.32 1xsb h PHE 146 Cb -0.01 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 38.40 1xsb h PHE 146 CO -0.04 0.64 0.59 -0.07 -2.02 0.00 0.00 178.31 177.41 1xsb h LEU 147 N -0.39 0.73 -0.48 0.59 3.38 -1.09 0.99 115.31 119.04 1xsb h LEU 147 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsb h LEU 147 Cb 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xsb h LEU 147 CO 0.02 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1xsb n SER 149 N -2.04 0.49 0.00 0.00 2.88 0.34 -4.81 113.62 110.48 1xsb n SER 149 Ca 0.03 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1xsb n SER 149 Cb 0.22 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsb n ILE 150 N -1.64 0.00 0.00 2.46 5.41 -0.86 -5.08 119.36 119.66 1xsb n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1xsb n ILE 150 Cb 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 1xsb n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsb n GLU 151 N 0.00 0.00 -0.51 0.38 2.13 -1.26 -4.90 120.64 116.48 1xsb n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsb n GLU 151 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb n ALA 152 N -1.99 0.00 -0.41 4.31 0.00 -1.26 -5.04 120.51 116.12 1xsb n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsb n ALA 152 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78