#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsa h PRO 2 N 0.00 0.00 -6.73 1.61 0.13 -2.03 -3.44 132.00 121.54 1xsa h PRO 2 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1xsa h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1xsa h PRO 2 CO 0.00 0.12 0.38 -0.51 -0.23 0.00 0.00 178.00 177.76 1xsa s LEU 3 N -6.46 4.61 0.00 1.56 1.02 -1.26 -4.91 118.68 113.23 1xsa s LEU 3 Ca 0.02 2.00 0.00 0.00 0.02 0.00 0.00 54.13 56.16 1xsa s LEU 3 Cb 0.09 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.69 1xsa s LEU 3 CO 0.61 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.65 1xsa n GLY 4 N 1.55 -0.72 3.62 -3.19 0.00 -1.26 -4.44 105.19 100.76 1xsa n GLY 4 Ca -0.01 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1xsa n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsa s SER 5 N -4.00 2.30 0.59 1.61 1.04 -1.26 -4.81 113.70 109.16 1xsa s SER 5 Ca 0.00 1.46 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1xsa s SER 5 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1xsa s SER 5 CO 0.00 -3.37 0.00 0.23 0.98 0.00 0.00 173.24 171.08 1xsa n MET 6 N -4.36 -3.80 -3.43 4.02 2.81 -1.26 -4.83 117.12 106.27 1xsa n MET 6 Ca 0.05 2.99 -0.38 0.00 -1.81 0.00 0.00 57.70 58.56 1xsa n MET 6 Cb 0.55 -3.88 -0.06 0.00 -0.71 0.00 0.00 33.22 29.12 1xsa n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xsa s ALA 7 N -5.07 3.61 0.00 3.04 0.00 -1.26 -4.94 121.76 117.13 1xsa s ALA 7 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1xsa s ALA 7 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1xsa s ALA 7 CO 0.00 0.27 0.00 1.28 0.00 0.00 0.00 175.76 177.31 1xsa n LEU 8 N 2.62 0.00 -4.37 0.00 4.77 -1.26 -4.97 117.00 113.79 1xsa n LEU 8 Ca -0.11 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.50 1xsa n LEU 8 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1xsa n LEU 8 CO 0.40 -0.38 -0.27 -0.60 -1.33 0.00 0.00 177.39 175.20 1xsa s ARG 9 N -0.76 3.24 0.40 3.23 3.52 -1.25 0.08 118.95 127.41 1xsa s ARG 9 Ca 0.00 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 54.92 1xsa s ARG 9 Cb 0.00 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1xsa s ARG 9 CO 0.00 -0.38 0.22 0.00 -0.81 0.00 0.00 175.30 174.33 1xsa s ALA 10 N 1.53 3.69 -0.05 6.12 0.00 0.65 -1.86 121.76 131.84 1xsa s ALA 10 Ca 0.04 -2.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.94 1xsa s ALA 10 Cb -0.17 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1xsa s ALA 10 CO 0.03 -0.14 0.15 0.00 0.00 0.00 0.00 175.76 175.79 1xsa s GLY 12 N -0.05 1.64 -0.13 0.00 0.00 0.37 -2.04 107.32 107.12 1xsa s GLY 12 Ca -0.01 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.06 1xsa s GLY 12 CO 0.00 -1.18 -0.16 1.08 0.00 0.00 0.00 173.10 172.85 1xsa s LEU 13 N -3.24 2.53 -0.95 0.66 1.43 -1.17 -1.78 118.68 116.16 1xsa s LEU 13 Ca 0.34 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.80 1xsa s LEU 13 Cb 0.02 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1xsa s LEU 13 CO 0.20 0.15 1.93 -0.63 0.23 0.00 0.00 176.35 178.23 1xsa s ILE 14 N 0.43 3.48 0.07 -0.59 -1.09 1.50 -4.49 121.20 120.51 1xsa s ILE 14 Ca -0.12 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 57.53 1xsa s ILE 14 Cb -0.16 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1xsa s ILE 14 CO 0.05 -0.98 1.00 -0.63 -1.23 0.00 0.00 174.94 173.15 1xsa s ILE 15 N 10.08 4.54 0.03 2.92 1.01 -1.26 -1.59 121.20 136.92 1xsa s ILE 15 Ca 0.69 1.97 -0.16 0.00 0.00 0.00 0.00 60.65 63.15 1xsa s ILE 15 Cb -0.06 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.18 1xsa s ILE 15 CO 0.01 0.23 0.36 0.72 0.00 0.00 0.00 174.94 176.27 1xsa s PHE 16 N 0.46 -0.21 -0.06 3.97 -0.12 -0.86 -1.47 117.98 119.70 1xsa s PHE 16 Ca 0.50 0.19 0.03 0.00 -0.05 0.00 0.00 56.93 57.60 1xsa s PHE 16 Cb -0.24 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1xsa s PHE 16 CO 0.30 -0.51 -0.14 0.50 -0.05 0.00 0.00 175.22 175.31 1xsa s ARG 17 N -2.19 1.73 -0.16 1.99 6.06 -0.28 -3.03 118.95 123.07 1xsa s ARG 17 Ca -0.07 -0.49 -0.12 0.00 -2.50 0.00 0.00 55.73 52.54 1xsa s ARG 17 Cb -0.02 -1.45 -0.05 0.00 0.06 0.00 0.00 34.95 33.50 1xsa s ARG 17 CO -0.01 0.11 0.24 -0.98 -2.50 0.00 0.00 175.30 172.17 1xsa s ARG 18 N 0.40 4.15 0.83 5.12 1.70 -1.25 -0.62 118.95 129.28 1xsa s ARG 18 Ca -0.10 0.01 -0.08 0.00 -0.47 0.00 0.00 55.73 55.09 1xsa s ARG 18 Cb -0.14 -3.39 0.18 0.00 -0.57 0.00 0.00 34.95 31.03 1xsa s ARG 18 CO 0.03 0.32 1.14 0.00 -1.08 0.00 0.00 175.30 175.71 1xsa h LEU 20 N 0.00 0.67 -7.01 0.00 3.38 -1.98 -3.46 115.31 106.91 1xsa h LEU 20 Ca -0.37 0.03 0.12 0.00 0.09 0.00 0.00 57.88 57.75 1xsa h LEU 20 Cb 1.19 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 1xsa h LEU 20 CO 0.33 0.42 0.51 -0.51 0.09 0.00 0.00 178.44 179.28 1xsa s ILE 21 N -6.07 0.00 0.31 1.22 2.07 -1.26 -5.05 121.20 112.42 1xsa s ILE 21 Ca -0.13 -0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 58.81 1xsa s ILE 21 Cb 0.18 -1.02 -0.11 0.00 0.13 0.00 0.00 42.46 41.63 1xsa s ILE 21 CO 0.78 0.00 1.57 -2.84 -1.91 0.00 0.00 174.94 172.54 1xsa s PRO 22 N -3.09 4.12 0.00 3.50 0.02 -1.26 -4.34 135.00 133.96 1xsa s PRO 22 Ca 0.05 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1xsa s PRO 22 Cb -0.01 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1xsa s PRO 22 CO -0.09 -0.61 0.00 1.63 -0.33 0.00 0.00 177.00 177.60 1xsa n LYS 23 N 1.86 0.00 -0.06 5.54 4.76 -1.26 -4.87 118.16 124.13 1xsa n LYS 23 Ca 0.07 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.29 1xsa n LYS 23 Cb 0.38 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.44 1xsa n LYS 23 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1xsa n VAL 24 N 0.00 1.65 -0.89 -0.18 3.14 -1.26 -4.85 118.33 115.94 1xsa n VAL 24 Ca 0.00 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1xsa n VAL 24 Cb 0.00 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 30.98 1xsa n VAL 24 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1xsa n ASP 25 N -3.81 0.00 -0.01 6.55 8.00 -1.26 -4.92 116.55 121.09 1xsa n ASP 25 Ca -0.36 -0.43 0.15 0.00 0.71 0.00 0.00 54.79 54.86 1xsa n ASP 25 Cb 0.92 0.00 0.77 0.00 -0.02 0.00 0.00 41.12 42.79 1xsa n ASP 25 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xsa n ASN 26 N 0.00 0.06 -1.69 -2.24 3.02 -1.26 -4.98 115.26 108.17 1xsa n ASN 26 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1xsa n ASN 26 Cb 0.21 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1xsa n ASN 26 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xsa n ASN 27 N -1.20 -8.58 0.31 6.41 5.03 -1.26 -4.41 115.26 111.55 1xsa n ASN 27 Ca 0.16 1.25 0.18 0.00 0.87 0.00 0.00 54.58 57.04 1xsa n ASN 27 Cb 0.23 -5.06 1.02 0.00 -1.02 0.00 0.00 39.78 34.95 1xsa n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsa h ALA 28 N 1.76 1.28 -2.83 5.41 0.00 -1.89 -3.41 119.26 119.59 1xsa h ALA 28 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1xsa h ALA 28 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1xsa h ALA 28 CO 0.00 0.01 -0.18 0.42 0.00 0.00 0.00 179.25 179.50 1xsa s ILE 29 N -4.37 5.11 0.13 0.00 -1.09 -1.26 0.37 121.20 120.08 1xsa s ILE 29 Ca -0.05 0.88 0.05 0.00 -2.23 0.00 0.00 60.65 59.30 1xsa s ILE 29 Cb 0.14 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1xsa s ILE 29 CO 0.49 0.45 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.94 1xsa s GLU 30 N -0.20 1.01 0.01 2.79 2.02 0.21 -4.45 118.70 120.08 1xsa s GLU 30 Ca 0.24 -1.35 0.03 0.00 0.02 0.00 0.00 54.97 53.92 1xsa s GLU 30 Cb -0.16 -0.66 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 1xsa s GLU 30 CO 0.11 0.10 -0.07 -0.06 0.02 0.00 0.00 175.26 175.36 1xsa s PHE 31 N -2.91 2.87 -0.40 1.61 0.08 1.17 -1.12 117.98 119.28 1xsa s PHE 31 Ca 0.13 -0.05 -0.10 0.00 0.12 0.00 0.00 56.93 57.03 1xsa s PHE 31 Cb -0.00 -1.60 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 1xsa s PHE 31 CO 0.01 0.37 0.24 -1.17 -0.10 0.00 0.00 175.22 174.57 1xsa s LEU 32 N -1.45 4.98 0.23 -0.37 2.96 -0.54 -1.19 118.68 123.29 1xsa s LEU 32 Ca 0.17 -1.25 0.08 0.00 -0.22 0.00 0.00 54.13 52.91 1xsa s LEU 32 Cb -0.11 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1xsa s LEU 32 CO 0.08 -0.47 0.02 -0.76 -1.32 0.00 0.00 176.35 173.89 1xsa s LEU 33 N 1.50 3.31 -0.03 -0.68 1.43 -1.15 -4.60 118.68 118.46 1xsa s LEU 33 Ca 0.02 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1xsa s LEU 33 Cb -0.21 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1xsa s LEU 33 CO 0.05 0.03 -0.26 -0.76 0.23 0.00 0.00 176.35 175.64 1xsa s LEU 34 N -3.39 2.06 -0.31 1.79 1.43 -0.94 -2.68 118.68 116.64 1xsa s LEU 34 Ca 0.30 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1xsa s LEU 34 Cb -0.08 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1xsa s LEU 34 CO 0.20 0.30 0.18 -1.58 0.23 0.00 0.00 176.35 175.68 1xsa s GLN 35 N -0.50 3.54 -0.21 1.70 0.74 -0.14 -2.09 119.66 122.70 1xsa s GLN 35 Ca 0.07 -0.59 -0.29 0.00 0.05 0.00 0.00 55.36 54.59 1xsa s GLN 35 Cb -0.11 -3.63 -0.01 0.00 1.10 0.00 0.00 33.01 30.37 1xsa s GLN 35 CO 0.00 -0.35 1.25 0.00 -0.55 0.00 0.00 175.29 175.64 1xsa s ALA 36 N 1.67 3.58 -1.62 1.58 0.00 -1.04 -3.00 121.76 122.94 1xsa s ALA 36 Ca 0.06 0.33 0.27 0.00 0.00 0.00 0.00 51.96 52.62 1xsa s ALA 36 Cb -0.17 -3.66 0.90 0.00 0.00 0.00 0.00 23.12 20.20 1xsa s ALA 36 CO 0.08 -1.33 1.66 0.45 0.00 0.00 0.00 175.76 176.62 1xsa n SER 37 N 6.87 0.76 -1.02 0.00 2.88 -1.26 -2.58 113.62 119.26 1xsa n SER 37 Ca 0.14 -0.67 0.09 0.00 -1.33 0.00 0.00 58.87 57.09 1xsa n SER 37 Cb 0.45 0.06 0.25 0.00 -0.75 0.00 0.00 64.21 64.22 1xsa n SER 37 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xsa n ASP 38 N -0.86 2.96 0.00 -3.46 8.00 -1.26 -4.89 116.55 117.04 1xsa n ASP 38 Ca 0.12 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1xsa n ASP 38 Cb 0.32 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1xsa n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xsa n GLY 39 N 1.38 4.60 0.86 0.44 0.00 -1.23 -5.00 105.19 106.24 1xsa n GLY 39 Ca 0.19 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1xsa n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsa n ILE 40 N 0.00 0.27 -1.69 -0.61 -0.00 -1.26 -4.97 119.36 111.10 1xsa n ILE 40 Ca 0.00 -0.52 -0.00 0.00 -0.00 0.00 0.00 62.75 62.22 1xsa n ILE 40 Cb 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 39.64 40.47 1xsa n ILE 40 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1xsa n HIS 41 N 0.96 -0.39 -4.33 4.28 8.25 -1.07 -5.06 115.22 117.87 1xsa n HIS 41 Ca 0.17 0.15 -0.29 0.00 -0.26 0.00 0.00 57.72 57.49 1xsa n HIS 41 Cb 0.49 -1.82 -0.12 0.00 1.12 0.00 0.00 29.99 29.66 1xsa n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsa s HIS 42 N -2.51 2.52 -0.14 4.41 -3.43 -1.26 -4.84 115.29 110.05 1xsa s HIS 42 Ca 0.01 -0.27 -0.09 0.00 -0.80 0.00 0.00 55.06 53.91 1xsa s HIS 42 Cb -0.00 -1.35 -0.04 0.00 -1.43 0.00 0.00 32.58 29.76 1xsa s HIS 42 CO 0.09 0.37 0.17 -1.58 -2.00 0.00 0.00 174.74 171.80 1xsa s TRP 43 N -1.12 3.54 -0.22 0.38 0.52 -1.26 -2.50 118.94 118.28 1xsa s TRP 43 Ca 0.17 0.51 -0.27 0.00 0.02 0.00 0.00 56.10 56.53 1xsa s TRP 43 Cb -0.11 -2.07 0.12 0.00 -1.15 0.00 0.00 33.47 30.27 1xsa s TRP 43 CO 0.09 0.55 1.00 -0.08 0.02 0.00 0.00 176.95 178.54 1xsa s THR 44 N -0.48 0.00 0.65 2.01 -1.32 -0.89 -4.44 115.64 111.17 1xsa s THR 44 Ca 0.14 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.44 1xsa s THR 44 Cb -0.12 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 1xsa s THR 44 CO 0.03 0.00 1.30 -2.84 -2.21 0.00 0.00 174.62 170.90 1xsa s PRO 45 N -0.38 2.53 -0.91 7.08 0.02 -1.26 -2.20 135.00 139.87 1xsa s PRO 45 Ca 0.01 2.08 -0.19 0.00 0.02 0.00 0.00 61.00 62.92 1xsa s PRO 45 Cb -0.03 -1.84 -0.25 0.00 0.02 0.00 0.00 34.50 32.40 1xsa s PRO 45 CO -0.02 -1.62 2.35 -2.30 -0.33 0.00 0.00 177.00 175.08 1xsa n PRO 46 N -1.91 0.20 -4.44 5.54 -0.02 -1.26 -4.81 135.00 128.30 1xsa n PRO 46 Ca 0.16 -0.17 -0.20 0.00 -2.02 0.00 0.00 63.50 61.27 1xsa n PRO 46 Cb 0.48 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.95 1xsa n PRO 46 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1xsa s LYS 47 N 7.95 0.87 0.14 -0.52 -2.85 -1.26 -3.02 119.74 121.04 1xsa s LYS 47 Ca 1.22 -0.36 0.03 0.00 -1.00 0.00 0.00 55.97 55.86 1xsa s LYS 47 Cb -0.74 -0.83 -0.04 0.00 -2.06 0.00 0.00 37.83 34.15 1xsa s LYS 47 CO 0.43 0.20 -0.06 0.20 0.10 0.00 0.00 175.35 176.23 1xsa s GLY 48 N -0.16 1.01 0.81 0.59 0.00 -0.86 -4.91 107.32 103.79 1xsa s GLY 48 Ca 0.03 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 1xsa s GLY 48 CO -0.00 -1.52 1.10 -1.58 0.00 0.00 0.00 173.10 171.09 1xsa s HIS 49 N -3.54 2.39 -0.15 1.90 2.46 -1.26 -1.16 115.29 115.93 1xsa s HIS 49 Ca 0.17 1.56 -0.10 0.00 0.47 0.00 0.00 55.06 57.16 1xsa s HIS 49 Cb 0.05 -3.10 -0.05 0.00 -0.13 0.00 0.00 32.58 29.35 1xsa s HIS 49 CO -0.00 -2.03 0.19 0.54 -2.47 0.00 0.00 174.74 170.97 1xsa s VAL 50 N -2.86 5.39 0.30 0.89 0.11 -0.78 -4.76 120.40 118.68 1xsa s VAL 50 Ca 0.62 0.33 0.07 0.00 -2.93 0.00 0.00 61.98 60.07 1xsa s VAL 50 Cb -0.18 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.14 1xsa s VAL 50 CO 0.56 0.49 0.33 -1.61 -3.33 0.00 0.00 175.10 171.55 1xsa s GLU 51 N -0.13 3.01 0.00 1.54 8.01 -1.26 -4.31 118.70 125.56 1xsa s GLU 51 Ca 0.13 -1.07 0.03 0.00 0.01 0.00 0.00 54.97 54.07 1xsa s GLU 51 Cb -0.12 -2.66 0.16 0.00 -4.31 0.00 0.00 34.13 27.20 1xsa s GLU 51 CO 0.02 0.22 0.48 -0.35 0.01 0.00 0.00 175.26 175.64 1xsa n PRO 52 N -1.41 0.16 -0.01 0.39 -0.04 -1.26 -2.06 135.00 130.77 1xsa n PRO 52 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 1xsa n PRO 52 Cb 0.58 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 1xsa n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xsa n GLY 53 N -0.51 -0.12 3.94 0.55 0.00 -1.26 -5.04 105.19 102.75 1xsa n GLY 53 Ca 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1xsa n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xsa s GLU 54 N -2.08 3.50 0.71 1.61 -1.05 -0.88 -5.10 118.70 115.41 1xsa s GLU 54 Ca -0.01 -0.42 -0.04 0.00 -0.15 0.00 0.00 54.97 54.35 1xsa s GLU 54 Cb 0.01 -2.84 0.10 0.00 -0.44 0.00 0.00 34.13 30.96 1xsa s GLU 54 CO 0.10 0.39 1.00 0.34 0.95 0.00 0.00 175.26 178.04 1xsa s ASP 55 N -3.37 4.48 0.04 0.83 3.68 -1.26 -4.44 116.67 116.63 1xsa s ASP 55 Ca 0.38 -0.03 -0.32 0.00 2.13 0.00 0.00 52.55 54.71 1xsa s ASP 55 Cb -0.11 -0.47 -0.18 0.00 -1.45 0.00 0.00 42.92 40.71 1xsa s ASP 55 CO 0.30 -1.77 1.39 0.44 0.13 0.00 0.00 175.17 175.66 1xsa h ASP 56 N -0.57 -0.92 -0.39 -0.34 3.32 -1.98 0.45 116.42 116.00 1xsa h ASP 56 Ca -0.40 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 1xsa h ASP 56 Cb 1.28 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 1xsa h ASP 56 CO 0.47 -0.58 -0.29 0.25 -1.72 0.00 0.00 179.24 177.37 1xsa h LEU 57 N -1.21 0.92 -1.58 1.55 5.85 -1.95 -1.65 115.31 117.24 1xsa h LEU 57 Ca -0.11 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.28 1xsa h LEU 57 Cb 0.84 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1xsa h LEU 57 CO 0.18 1.16 0.45 -0.33 -0.34 0.00 0.00 178.44 179.56 1xsa h GLU 58 N 0.68 0.45 -0.29 1.25 4.39 -1.93 0.86 114.58 119.99 1xsa h GLU 58 Ca 0.07 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1xsa h GLU 58 Cb 0.87 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1xsa h GLU 58 CO 0.08 0.30 -0.06 1.15 -1.16 0.00 0.00 179.01 179.32 1xsa h THR 59 N 0.46 1.28 -0.45 1.13 2.02 0.52 0.82 112.91 118.69 1xsa h THR 59 Ca 0.31 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1xsa h THR 59 Cb 0.60 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1xsa h THR 59 CO -0.10 0.34 0.23 0.00 0.37 0.00 0.00 175.52 176.36 1xsa h ALA 60 N 0.79 0.58 -0.72 6.16 0.00 0.40 1.03 119.26 127.51 1xsa h ALA 60 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xsa h ALA 60 Cb 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1xsa h ALA 60 CO 0.03 0.12 0.32 -0.07 0.00 0.00 0.00 179.25 179.65 1xsa h LEU 61 N 0.59 0.96 -0.07 0.00 3.38 0.80 1.90 115.31 122.85 1xsa h LEU 61 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xsa h LEU 61 Cb 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xsa h LEU 61 CO -0.02 0.83 0.02 -0.09 0.09 0.00 0.00 178.44 179.27 1xsa h ARG 62 N 1.04 0.12 -0.50 1.13 2.43 0.19 -0.33 114.38 118.47 1xsa h ARG 62 Ca 0.25 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1xsa h ARG 62 Cb 0.15 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1xsa h ARG 62 CO -0.03 0.32 -0.08 0.00 -1.51 0.00 0.00 179.97 178.68 1xsa h ALA 63 N 0.80 0.68 -0.57 2.80 0.00 0.16 0.55 119.26 123.67 1xsa h ALA 63 Ca 0.02 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.71 1xsa h ALA 63 Cb 0.25 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1xsa h ALA 63 CO 0.00 0.55 0.16 1.15 0.00 0.00 0.00 179.25 181.11 1xsa h THR 64 N 0.78 0.71 -0.02 0.00 2.02 0.32 3.67 112.91 120.39 1xsa h THR 64 Ca 0.13 -0.11 -0.26 0.00 0.77 0.00 0.00 66.41 66.94 1xsa h THR 64 Cb 0.62 0.38 0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1xsa h THR 64 CO 0.04 0.06 -1.01 -0.61 0.37 0.00 0.00 175.52 174.37 1xsa h GLN 65 N 0.31 0.72 0.07 6.66 4.15 -0.00 -1.95 115.11 125.07 1xsa h GLN 65 Ca 0.29 -0.75 -0.25 0.00 0.77 0.00 0.00 58.65 58.71 1xsa h GLN 65 Cb 0.40 0.20 0.02 0.00 0.21 0.00 0.00 27.48 28.32 1xsa h GLN 65 CO -0.34 1.32 -1.04 1.49 -1.93 0.00 0.00 178.83 178.33 1xsa h GLU 66 N 0.42 0.58 0.24 1.69 4.81 0.12 -0.11 114.58 122.32 1xsa h GLU 66 Ca -0.12 -0.72 -0.01 0.00 -0.13 0.00 0.00 59.36 58.38 1xsa h GLU 66 Cb 1.66 0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1xsa h GLU 66 CO 0.20 1.31 -0.11 0.93 -0.73 0.00 0.00 179.01 180.60 1xsa h GLU 67 N 0.18 -0.31 -0.00 1.92 3.07 0.68 -2.55 114.58 117.57 1xsa h GLU 67 Ca -0.15 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1xsa h GLU 67 Cb 1.73 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.71 1xsa h GLU 67 CO 0.20 -0.07 -0.87 0.00 -1.40 0.00 0.00 179.01 176.87 1xsa n ALA 68 N -2.70 4.45 -0.85 3.43 0.00 -1.03 -3.72 120.51 120.08 1xsa n ALA 68 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1xsa n ALA 68 Cb 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1xsa n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsa n GLY 69 N 1.50 0.49 3.59 0.00 0.00 0.24 0.15 105.19 111.15 1xsa n GLY 69 Ca 0.05 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1xsa n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsa s ILE 70 N -2.00 4.70 0.42 -0.61 1.01 -0.77 -4.23 121.20 119.72 1xsa s ILE 70 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1xsa s ILE 70 Cb 0.00 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1xsa s ILE 70 CO 0.00 0.42 0.65 -1.83 0.00 0.00 0.00 174.94 174.19 1xsa s GLU 71 N 0.72 3.30 0.51 2.79 -1.05 -1.26 -1.55 118.70 122.16 1xsa s GLU 71 Ca 0.04 -0.29 0.26 0.00 -0.15 0.00 0.00 54.97 54.83 1xsa s GLU 71 Cb -0.13 -2.55 1.40 0.00 -0.44 0.00 0.00 34.13 32.40 1xsa s GLU 71 CO 0.02 -0.12 2.06 0.00 0.95 0.00 0.00 175.26 178.17 1xsa h ALA 72 N 0.48 1.30 -0.82 -0.84 0.00 -1.87 -2.42 119.26 115.09 1xsa h ALA 72 Ca -0.48 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.49 1xsa h ALA 72 Cb 1.23 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1xsa h ALA 72 CO 0.60 0.16 0.55 0.78 0.00 0.00 0.00 179.25 181.33 1xsa h GLY 73 N 0.87 0.80 -1.81 0.00 0.00 -2.01 0.18 103.07 101.10 1xsa h GLY 73 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1xsa h GLY 73 CO 0.02 0.04 -0.03 0.61 0.00 0.00 0.00 176.54 177.18 1xsa n GLN 74 N -4.49 2.16 -4.66 4.80 10.64 -0.92 -4.92 117.38 119.99 1xsa n GLN 74 Ca 0.17 -1.83 -0.31 0.00 -1.83 0.00 0.00 57.00 53.19 1xsa n GLN 74 Cb 0.60 -1.45 -0.12 0.00 -0.86 0.00 0.00 30.24 28.41 1xsa n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1xsa s LEU 75 N -1.96 2.73 -0.18 2.61 1.43 0.63 -2.04 118.68 121.90 1xsa s LEU 75 Ca 0.27 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1xsa s LEU 75 Cb 0.19 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1xsa s LEU 75 CO 0.31 0.27 -0.17 0.28 0.23 0.00 0.00 176.35 177.26 1xsa s THR 76 N -0.91 2.33 -0.46 5.49 -1.32 -0.97 -4.78 115.64 115.01 1xsa s THR 76 Ca 0.15 -0.86 -0.29 0.00 -1.21 0.00 0.00 61.69 59.48 1xsa s THR 76 Cb -0.11 -1.99 0.02 0.00 -1.51 0.00 0.00 72.50 68.92 1xsa s THR 76 CO 0.05 0.52 1.25 -0.63 -2.21 0.00 0.00 174.62 173.60 1xsa s ILE 77 N 1.21 4.07 0.43 5.08 -1.09 -1.26 -2.49 121.20 127.15 1xsa s ILE 77 Ca 0.03 1.08 0.23 0.00 -2.23 0.00 0.00 60.65 59.76 1xsa s ILE 77 Cb -0.14 -4.45 0.26 0.00 -1.58 0.00 0.00 42.46 36.55 1xsa s ILE 77 CO -0.09 -0.93 2.05 0.40 -1.23 0.00 0.00 174.94 175.14 1xsa h ILE 78 N 6.33 0.75 0.00 2.92 5.03 -1.53 -3.46 117.51 127.55 1xsa h ILE 78 Ca -0.25 -0.55 0.00 0.00 -0.12 0.00 0.00 64.86 63.94 1xsa h ILE 78 Cb 1.08 1.33 0.00 0.00 -3.03 0.00 0.00 36.82 36.20 1xsa h ILE 78 CO 1.12 0.14 0.00 -0.62 -0.68 0.00 0.00 178.15 178.10 1xsa n GLU 79 N -3.87 0.00 0.00 2.37 1.02 -1.23 -4.71 120.64 114.22 1xsa n GLU 79 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1xsa n GLU 79 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1xsa n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xsa n GLY 80 N 0.00 -0.00 3.38 0.62 0.00 -1.26 -4.48 105.19 103.45 1xsa n GLY 80 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xsa n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsa s PHE 81 N 0.00 3.18 -0.05 1.61 2.19 -1.26 -5.05 117.98 118.60 1xsa s PHE 81 Ca 0.00 -0.84 -0.02 0.00 0.33 0.00 0.00 56.93 56.40 1xsa s PHE 81 Cb 0.00 -2.33 0.04 0.00 -1.31 0.00 0.00 43.02 39.42 1xsa s PHE 81 CO 0.00 -0.55 0.10 0.21 1.83 0.00 0.00 175.22 176.81 1xsa s LYS 82 N 1.55 0.03 0.33 10.12 2.36 -1.26 -4.25 119.74 128.63 1xsa s LYS 82 Ca 0.03 0.32 -0.16 0.00 -2.55 0.00 0.00 55.97 53.61 1xsa s LYS 82 Cb -0.18 -0.23 0.03 0.00 -1.05 0.00 0.00 37.83 36.41 1xsa s LYS 82 CO 0.05 -0.19 0.71 -0.98 1.55 0.00 0.00 175.35 176.49 1xsa s ARG 83 N 1.27 2.00 -0.69 4.03 3.03 -1.26 -5.08 118.95 122.25 1xsa s ARG 83 Ca -0.08 -1.29 -0.19 0.00 2.03 0.00 0.00 55.73 56.20 1xsa s ARG 83 Cb -0.12 0.59 0.11 0.00 -1.03 0.00 0.00 34.95 34.50 1xsa s ARG 83 CO -0.05 -0.91 0.83 -1.21 -1.13 0.00 0.00 175.30 172.83 1xsa s GLU 84 N -3.08 3.20 0.15 3.89 2.02 -1.26 -3.47 118.70 120.16 1xsa s GLU 84 Ca 0.16 -1.42 -0.31 0.00 0.02 0.00 0.00 54.97 53.42 1xsa s GLU 84 Cb -0.05 -4.39 -0.10 0.00 0.10 0.00 0.00 34.13 29.69 1xsa s GLU 84 CO 0.10 -1.61 1.68 -1.17 0.02 0.00 0.00 175.26 174.28 1xsa s LEU 85 N 2.71 4.37 -0.03 1.80 2.96 4.57 -4.57 118.68 130.49 1xsa s LEU 85 Ca 0.18 2.69 0.03 0.00 -0.22 0.00 0.00 54.13 56.81 1xsa s LEU 85 Cb -0.18 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1xsa s LEU 85 CO 0.03 -0.91 -0.12 0.20 -1.32 0.00 0.00 176.35 174.22 1xsa s ASN 86 N 1.66 1.59 0.16 3.68 0.02 -1.26 0.26 114.94 121.06 1xsa s ASN 86 Ca 0.74 -0.25 -0.15 0.00 -1.02 0.00 0.00 52.86 52.18 1xsa s ASN 86 Cb -0.45 -0.45 0.02 0.00 0.02 0.00 0.00 41.25 40.39 1xsa s ASN 86 CO 0.33 0.10 0.42 -0.72 0.02 0.00 0.00 177.10 177.24 1xsa s TYR 87 N 0.16 -0.04 -1.17 2.20 -0.85 -1.17 -4.81 117.35 111.67 1xsa s TYR 87 Ca -0.04 -0.31 0.10 0.00 -0.52 0.00 0.00 57.07 56.30 1xsa s TYR 87 Cb -0.10 0.24 0.12 0.00 0.38 0.00 0.00 41.96 42.61 1xsa s TYR 87 CO 0.01 -0.79 0.91 1.33 -1.52 0.00 0.00 175.55 175.49 1xsa n VAL 88 N -0.27 0.22 0.00 -3.49 0.24 -1.26 -1.82 118.33 111.96 1xsa n VAL 88 Ca -0.12 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1xsa n VAL 88 Cb 0.63 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 1xsa n VAL 88 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xsa n ALA 89 N 0.54 0.00 -0.28 2.33 0.00 -1.26 0.27 120.51 122.10 1xsa n ALA 89 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 1xsa n ALA 89 Cb 0.29 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.80 1xsa n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsa h ARG 90 N 0.00 1.12 0.00 0.00 3.08 -2.07 -3.48 114.38 113.03 1xsa h ARG 90 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1xsa h ARG 90 Cb 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1xsa h ARG 90 CO 0.00 0.87 0.00 0.27 -1.07 0.00 0.00 179.97 180.04 1xsa n ASN 91 N -4.37 0.00 -2.57 7.04 0.23 0.76 -5.12 115.26 111.23 1xsa n ASN 91 Ca 0.07 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.07 1xsa n ASN 91 Cb 0.14 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.80 1xsa n ASN 91 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xsa n LYS 92 N -0.01 -4.58 -1.99 -3.83 5.02 -1.26 -4.74 118.16 106.77 1xsa n LYS 92 Ca 0.00 3.43 -0.42 0.00 -2.02 0.00 0.00 58.31 59.30 1xsa n LYS 92 Cb 0.00 -4.81 -0.03 0.00 -0.02 0.00 0.00 35.03 30.17 1xsa n LYS 92 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1xsa s PRO 93 N -0.62 4.24 0.11 1.97 0.02 -1.26 -4.51 135.00 134.96 1xsa s PRO 93 Ca -0.23 2.30 0.06 0.00 0.02 0.00 0.00 61.00 63.15 1xsa s PRO 93 Cb 0.02 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 1xsa s PRO 93 CO 0.61 -0.55 -0.15 0.15 -0.33 0.00 0.00 177.00 176.73 1xsa s LYS 94 N 0.91 1.01 0.16 5.54 1.02 -0.75 -4.97 119.74 122.65 1xsa s LYS 94 Ca 0.67 -1.18 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 1xsa s LYS 94 Cb -0.42 -0.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.82 1xsa s LYS 94 CO 0.33 0.20 0.67 0.99 -0.92 0.00 0.00 175.35 176.62 1xsa s THR 95 N -1.80 4.60 -0.05 2.17 2.01 0.11 -3.05 115.64 119.65 1xsa s THR 95 Ca 0.07 1.31 -0.03 0.00 0.31 0.00 0.00 61.69 63.34 1xsa s THR 95 Cb -0.07 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1xsa s THR 95 CO 0.03 0.39 0.11 -0.69 -0.69 0.00 0.00 174.62 173.77 1xsa s VAL 96 N -1.31 -0.02 -0.13 3.82 1.01 0.72 0.24 120.40 124.73 1xsa s VAL 96 Ca 0.37 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1xsa s VAL 96 Cb -0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1xsa s VAL 96 CO 0.21 0.03 -0.07 -0.63 0.00 0.00 0.00 175.10 174.65 1xsa s ILE 97 N 0.53 3.64 -0.16 2.22 1.01 0.19 0.83 121.20 129.46 1xsa s ILE 97 Ca -0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 1xsa s ILE 97 Cb -0.06 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.86 1xsa s ILE 97 CO -0.02 0.53 -0.14 -0.31 0.00 0.00 0.00 174.94 175.00 1xsa s TYR 98 N 0.06 2.81 0.23 3.97 1.51 -1.23 0.14 117.35 124.84 1xsa s TYR 98 Ca -0.02 -0.98 0.08 0.00 -1.01 0.00 0.00 57.07 55.15 1xsa s TYR 98 Cb -0.14 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1xsa s TYR 98 CO 0.03 -0.45 0.02 -1.58 -1.11 0.00 0.00 175.55 172.46 1xsa s TRP 99 N 0.83 2.79 -0.05 2.71 0.51 -0.74 -4.33 118.94 120.67 1xsa s TRP 99 Ca -0.04 -0.18 -0.24 0.00 -2.12 0.00 0.00 56.10 53.52 1xsa s TRP 99 Cb -0.15 -1.28 -0.04 0.00 -0.81 0.00 0.00 33.47 31.19 1xsa s TRP 99 CO -0.00 0.57 0.71 -0.51 -0.51 0.00 0.00 176.95 177.21 1xsa s LEU 100 N -3.40 4.33 0.01 2.99 1.43 -1.26 0.44 118.68 123.21 1xsa s LEU 100 Ca 0.30 1.22 -0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1xsa s LEU 100 Cb -0.08 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1xsa s LEU 100 CO 0.20 -0.10 -0.01 0.00 0.23 0.00 0.00 176.35 176.66 1xsa s ALA 101 N 0.71 0.05 -0.03 4.21 0.00 -0.62 -1.21 121.76 124.87 1xsa s ALA 101 Ca 0.38 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1xsa s ALA 101 Cb -0.18 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1xsa s ALA 101 CO 0.19 -0.10 -0.18 -2.00 0.00 0.00 0.00 175.76 173.67 1xsa s GLU 102 N -0.86 1.64 -0.34 0.00 2.12 -1.04 -2.03 118.70 118.20 1xsa s GLU 102 Ca -0.09 -0.64 -0.19 0.00 0.36 0.00 0.00 54.97 54.41 1xsa s GLU 102 Cb -0.06 -1.51 -0.01 0.00 0.26 0.00 0.00 34.13 32.82 1xsa s GLU 102 CO -0.01 0.33 0.54 0.14 -0.54 0.00 0.00 175.26 175.73 1xsa s VAL 103 N -0.22 4.99 -1.31 3.70 -7.23 -1.17 -2.29 120.40 116.88 1xsa s VAL 103 Ca 0.02 0.48 0.13 0.00 -1.81 0.00 0.00 61.98 60.80 1xsa s VAL 103 Cb -0.09 -3.97 0.20 0.00 0.56 0.00 0.00 36.38 33.08 1xsa s VAL 103 CO 0.01 -0.20 1.37 2.29 -0.31 0.00 0.00 175.10 178.26 1xsa n LYS 104 N 5.79 0.14 -3.61 4.82 2.85 -0.87 -4.21 118.16 123.06 1xsa n LYS 104 Ca -0.04 0.19 -0.40 0.00 -1.05 0.00 0.00 58.31 57.02 1xsa n LYS 104 Cb 0.49 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.27 1xsa n LYS 104 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xsa s ASP 105 N -2.69 5.59 0.46 -5.58 -0.00 -1.26 -4.93 116.67 108.26 1xsa s ASP 105 Ca 0.11 -1.77 0.16 0.00 -0.00 0.00 0.00 52.55 51.05 1xsa s ASP 105 Cb 0.09 -1.97 1.12 0.00 -0.00 0.00 0.00 42.92 42.16 1xsa s ASP 105 CO 0.21 -0.61 1.98 0.22 -0.00 0.00 0.00 175.17 176.98 1xsa h TYR 106 N 8.36 0.33 -0.64 4.23 5.03 -1.97 0.18 116.97 132.49 1xsa h TYR 106 Ca -0.20 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.02 1xsa h TYR 106 Cb 1.07 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 39.19 1xsa h TYR 106 CO 0.62 0.15 0.12 -0.40 -1.32 0.00 0.00 178.16 177.33 1xsa n ASP 107 N -4.46 5.29 -4.33 -2.11 3.85 -1.26 -5.01 116.55 108.53 1xsa n ASP 107 Ca 0.10 -3.08 -0.41 0.00 -0.71 0.00 0.00 54.79 50.69 1xsa n ASP 107 Cb 0.43 -0.71 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 1xsa n ASP 107 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1xsa n VAL 108 N 0.23 0.82 -3.04 2.12 3.14 0.62 -4.82 118.33 117.40 1xsa n VAL 108 Ca 0.34 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.79 1xsa n VAL 108 Cb 1.28 -0.12 -0.06 0.00 -1.06 0.00 0.00 33.84 33.88 1xsa n VAL 108 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1xsa s GLU 109 N -1.16 3.29 -1.08 1.45 2.56 -1.26 -4.97 118.70 117.53 1xsa s GLU 109 Ca 0.60 -0.37 -0.22 0.00 0.00 0.00 0.00 54.97 54.98 1xsa s GLU 109 Cb -0.60 -3.99 0.05 0.00 2.00 0.00 0.00 34.13 31.59 1xsa s GLU 109 CO 0.62 -1.14 1.54 0.42 -0.56 0.00 0.00 175.26 176.15 1xsa s ILE 110 N 3.07 3.94 -0.12 -3.70 -1.09 -1.26 -4.61 121.20 117.44 1xsa s ILE 110 Ca 0.24 -1.02 -0.27 0.00 -2.23 0.00 0.00 60.65 57.38 1xsa s ILE 110 Cb -0.14 -5.04 -0.02 0.00 -1.58 0.00 0.00 42.46 35.67 1xsa s ILE 110 CO 0.19 -1.91 0.87 -0.13 -1.23 0.00 0.00 174.94 172.73 1xsa s ARG 111 N 4.90 4.38 -0.41 2.79 0.52 0.39 -4.81 118.95 126.72 1xsa s ARG 111 Ca 0.49 1.14 -0.14 0.00 -0.52 0.00 0.00 55.73 56.70 1xsa s ARG 111 Cb 0.01 -3.53 0.03 0.00 0.52 0.00 0.00 34.95 31.97 1xsa s ARG 111 CO -0.05 -0.23 0.29 -0.51 0.02 0.00 0.00 175.30 174.82 1xsa s LEU 112 N 1.75 5.09 0.84 2.53 1.43 -1.26 0.82 118.68 129.88 1xsa s LEU 112 Ca 0.42 -0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 1xsa s LEU 112 Cb -0.18 -2.13 0.09 0.00 0.03 0.00 0.00 46.19 44.00 1xsa s LEU 112 CO 0.17 -0.46 1.10 -0.44 0.23 0.00 0.00 176.35 176.94 1xsa s SER 113 N 1.76 3.90 -1.00 2.29 0.01 -0.96 -4.67 113.70 115.04 1xsa s SER 113 Ca 0.04 1.81 -0.20 0.00 1.31 0.00 0.00 55.95 58.91 1xsa s SER 113 Cb -0.20 -2.45 -0.28 0.00 0.21 0.00 0.00 66.02 63.31 1xsa s SER 113 CO 0.09 -2.42 2.41 1.57 0.41 0.00 0.00 173.24 175.29 1xsa n HIS 114 N -3.77 0.27 0.00 2.43 -0.00 -1.26 -3.05 115.22 109.84 1xsa n HIS 114 Ca 0.09 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.45 1xsa n HIS 114 Cb 0.53 -1.41 0.00 0.00 -0.12 0.00 0.00 29.99 28.99 1xsa n HIS 114 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1xsa n GLU 115 N 6.93 0.00 -4.75 1.57 2.13 -1.26 -5.10 120.64 120.15 1xsa n GLU 115 Ca 0.67 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 58.15 1xsa n GLU 115 Cb 0.09 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.67 1xsa n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1xsa s HIS 116 N 0.00 2.82 -0.34 4.31 3.76 -1.17 -4.09 115.29 120.58 1xsa s HIS 116 Ca 0.00 -0.13 0.04 0.00 -0.15 0.00 0.00 55.06 54.82 1xsa s HIS 116 Cb 0.00 -1.69 0.08 0.00 1.11 0.00 0.00 32.58 32.08 1xsa s HIS 116 CO 0.00 0.20 0.97 1.04 -0.85 0.00 0.00 174.74 176.10 1xsa n GLN 117 N 2.42 2.11 -3.92 1.40 6.02 -1.18 -4.64 117.38 119.59 1xsa n GLN 117 Ca -0.18 -1.44 -0.14 0.00 -0.01 0.00 0.00 57.00 55.24 1xsa n GLN 117 Cb 0.53 -1.08 -0.15 0.00 1.02 0.00 0.00 30.24 30.56 1xsa n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xsa s ALA 118 N -0.83 0.13 -0.18 -1.58 0.00 -1.16 -4.98 121.76 113.16 1xsa s ALA 118 Ca 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1xsa s ALA 118 Cb 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.12 1xsa s ALA 118 CO 0.05 0.00 0.45 1.52 0.00 0.00 0.00 175.76 177.78 1xsa s TYR 119 N 0.22 -0.57 0.03 0.00 1.13 -1.26 -0.97 117.35 115.93 1xsa s TYR 119 Ca -0.02 1.29 -0.05 0.00 -1.41 0.00 0.00 57.07 56.89 1xsa s TYR 119 Cb -0.04 0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 41.04 1xsa s TYR 119 CO -0.01 -0.29 0.08 1.03 -2.51 0.00 0.00 175.55 173.85 1xsa s ARG 120 N 0.73 0.54 -0.35 -3.49 0.52 -1.09 -5.00 118.95 110.80 1xsa s ARG 120 Ca -0.04 -0.70 -0.10 0.00 -0.52 0.00 0.00 55.73 54.37 1xsa s ARG 120 Cb -0.05 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.65 1xsa s ARG 120 CO -0.05 -0.13 0.17 -1.58 0.02 0.00 0.00 175.30 173.73 1xsa s TRP 121 N -2.33 3.22 0.34 -0.53 0.52 -1.26 -2.94 118.94 115.96 1xsa s TRP 121 Ca -0.07 -0.88 0.03 0.00 0.02 0.00 0.00 56.10 55.20 1xsa s TRP 121 Cb -0.03 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 1xsa s TRP 121 CO -0.03 -0.59 0.13 -0.51 0.02 0.00 0.00 176.95 175.96 1xsa s LEU 122 N 1.56 1.86 0.00 2.99 1.43 -0.34 -4.84 118.68 121.34 1xsa s LEU 122 Ca 0.03 -1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 51.47 1xsa s LEU 122 Cb -0.18 -0.01 0.18 0.00 0.03 0.00 0.00 46.19 46.20 1xsa s LEU 122 CO 0.06 -0.84 1.11 0.61 0.23 0.00 0.00 176.35 177.52 1xsa n GLY 123 N -0.70 -0.79 0.18 -3.19 0.00 -1.26 0.37 105.19 99.79 1xsa n GLY 123 Ca -0.02 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 1xsa n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsa h LEU 124 N 0.00 0.41 0.25 0.99 5.85 -1.84 0.25 115.31 121.22 1xsa h LEU 124 Ca -0.36 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1xsa h LEU 124 Cb 1.08 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1xsa h LEU 124 CO 0.29 0.30 -0.12 1.05 -0.34 0.00 0.00 178.44 179.62 1xsa h GLU 125 N 0.51 -0.32 -0.21 1.25 4.11 -1.93 0.52 114.58 118.50 1xsa h GLU 125 Ca 0.16 0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.56 1xsa h GLU 125 Cb -0.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xsa h GLU 125 CO -0.06 -0.20 -0.09 1.49 0.07 0.00 0.00 179.01 180.22 1xsa h GLU 126 N -0.36 0.32 0.00 1.06 4.81 -1.89 -0.99 114.58 117.54 1xsa h GLU 126 Ca -0.03 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1xsa h GLU 126 Cb 0.27 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1xsa h GLU 126 CO 0.06 0.43 -0.46 0.00 -0.73 0.00 0.00 179.01 178.31 1xsa h ALA 127 N 1.60 1.04 -0.31 2.92 0.00 0.07 -2.98 119.26 121.60 1xsa h ALA 127 Ca 0.06 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1xsa h ALA 127 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xsa h ALA 127 CO 0.02 0.58 -0.13 0.00 0.00 0.00 0.00 179.25 179.71 1xsa h GLN 129 N 0.40 0.55 -0.28 0.00 -0.00 -1.44 -2.66 115.11 111.68 1xsa h GLN 129 Ca 0.07 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.65 58.53 1xsa h GLN 129 Cb 0.65 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.07 1xsa h GLN 129 CO 0.04 0.69 0.11 -0.07 -0.00 0.00 0.00 178.83 179.60 1xsa h LEU 130 N 0.34 0.38 0.38 0.06 3.38 -1.52 -3.23 115.31 115.10 1xsa h LEU 130 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xsa h LEU 130 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1xsa h LEU 130 CO 0.02 0.44 -0.33 0.00 0.09 0.00 0.00 178.44 178.66 1xsa h ALA 131 N 0.95 -1.05 0.00 1.53 0.00 -1.23 -3.35 119.26 116.12 1xsa h ALA 131 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsa h ALA 131 Cb 0.18 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xsa h ALA 131 CO -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 179.25 178.19 1xsa n GLN 132 N -4.36 0.00 -3.88 0.00 10.64 -1.01 -4.74 117.38 114.03 1xsa n GLN 132 Ca -0.08 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.73 1xsa n GLN 132 Cb 0.31 -2.30 -0.08 0.00 -0.86 0.00 0.00 30.24 27.31 1xsa n GLN 132 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1xsa s PHE 133 N -2.89 3.44 0.22 2.61 0.08 -1.26 -4.98 117.98 115.20 1xsa s PHE 133 Ca 0.00 0.36 -0.07 0.00 0.12 0.00 0.00 56.93 57.34 1xsa s PHE 133 Cb 0.00 -2.03 0.32 0.00 -0.57 0.00 0.00 43.02 40.73 1xsa s PHE 133 CO 0.00 0.46 1.78 -0.22 -0.10 0.00 0.00 175.22 177.14 1xsa h LYS 134 N 5.89 0.57 -0.58 0.44 1.63 -1.96 0.16 116.57 122.73 1xsa h LYS 134 Ca -0.47 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.23 1xsa h LYS 134 Cb 1.19 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 1xsa h LYS 134 CO 0.67 0.38 0.08 0.93 -3.45 0.00 0.00 179.45 178.06 1xsa h GLU 135 N 0.59 0.96 -0.24 1.90 4.39 -1.94 -1.46 114.58 118.79 1xsa h GLU 135 Ca 0.34 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1xsa h GLU 135 Cb 0.35 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1xsa h GLU 135 CO -0.26 0.92 0.08 0.52 -1.16 0.00 0.00 179.01 179.11 1xsa h MET 136 N 0.86 0.37 -0.65 2.33 2.86 -1.64 1.86 114.93 120.92 1xsa h MET 136 Ca 0.17 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1xsa h MET 136 Cb 0.43 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1xsa h MET 136 CO 0.01 0.44 0.36 0.87 1.06 0.00 0.00 176.91 179.65 1xsa h LYS 137 N 0.22 0.66 -0.25 1.72 1.57 -0.59 0.38 116.57 120.28 1xsa h LYS 137 Ca 0.08 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1xsa h LYS 137 Cb 0.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1xsa h LYS 137 CO -0.00 0.44 -0.47 0.00 -0.57 0.00 0.00 179.45 178.84 1xsa h ALA 138 N 1.34 0.40 -0.54 3.86 0.00 -0.82 0.17 119.26 123.66 1xsa h ALA 138 Ca 0.29 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xsa h ALA 138 Cb 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1xsa h ALA 138 CO -0.17 0.56 0.26 0.00 0.00 0.00 0.00 179.25 179.89 1xsa h ALA 139 N 0.65 0.70 -0.41 0.00 0.00 0.40 4.66 119.26 125.25 1xsa h ALA 139 Ca 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1xsa h ALA 139 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xsa h ALA 139 CO 0.11 -0.10 -0.35 -0.07 0.00 0.00 0.00 179.25 178.84 1xsa h LEU 140 N 0.49 1.01 -0.00 0.00 3.38 -0.20 0.73 115.31 120.73 1xsa h LEU 140 Ca 0.25 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1xsa h LEU 140 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xsa h LEU 140 CO -0.19 1.25 -0.01 -0.61 0.09 0.00 0.00 178.44 178.97 1xsa h GLN 141 N 0.79 0.01 -0.63 1.13 4.15 0.53 -0.51 115.11 120.58 1xsa h GLN 141 Ca 0.07 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1xsa h GLN 141 Cb 0.94 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1xsa h GLN 141 CO 0.09 0.65 0.15 0.93 -1.93 0.00 0.00 178.83 178.72 1xsa h GLU 142 N -0.63 0.99 -0.52 1.69 5.08 0.91 -0.75 114.58 121.36 1xsa h GLU 142 Ca -0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1xsa h GLU 142 Cb 0.65 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1xsa h GLU 142 CO 0.00 0.88 0.28 0.78 -1.00 0.00 0.00 179.01 179.95 1xsa h GLY 143 N 1.04 0.78 1.49 -3.84 0.00 0.50 -1.71 103.07 101.33 1xsa h GLY 143 Ca 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1xsa h GLY 143 CO 0.00 0.34 0.22 0.45 0.00 0.00 0.00 176.54 177.56 1xsa h HIS 144 N 0.69 0.66 -0.49 5.60 3.86 -0.48 -2.49 115.15 122.51 1xsa h HIS 144 Ca 0.18 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.46 1xsa h HIS 144 Cb 0.06 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.25 1xsa h HIS 144 CO -0.01 0.50 0.11 0.37 0.86 0.00 0.00 177.93 179.76 1xsa h GLN 145 N 0.67 0.25 -0.19 2.45 5.75 -0.20 -0.00 115.11 123.85 1xsa h GLN 145 Ca 0.17 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1xsa h GLN 145 Cb 0.08 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1xsa h GLN 145 CO -0.02 0.17 -0.02 0.35 -2.65 0.00 0.00 178.83 176.65 1xsa h PHE 146 N 0.26 0.39 -0.75 3.99 3.04 -1.32 -2.67 116.94 119.87 1xsa h PHE 146 Ca 0.25 -0.08 0.12 0.00 3.98 0.00 0.00 57.97 62.24 1xsa h PHE 146 Cb 0.32 -0.10 -0.08 0.00 2.56 0.00 0.00 35.95 38.64 1xsa h PHE 146 CO -0.21 0.58 0.35 -0.07 -2.02 0.00 0.00 178.31 176.93 1xsa h LEU 147 N 0.08 0.40 -2.12 0.59 3.38 -1.03 0.90 115.31 117.51 1xsa h LEU 147 Ca 0.05 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xsa h LEU 147 Cb 0.44 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xsa h LEU 147 CO 0.01 0.19 -0.08 0.00 0.09 0.00 0.00 178.44 178.66 1xsa n SER 149 N -3.65 0.35 -0.47 0.00 2.88 0.30 -4.08 113.62 108.95 1xsa n SER 149 Ca -0.02 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1xsa n SER 149 Cb 0.19 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1xsa n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsa n ILE 150 N -1.80 0.00 1.18 2.46 5.41 -0.05 -4.90 119.36 121.66 1xsa n ILE 150 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.88 1xsa n ILE 150 Cb 0.38 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.55 1xsa n ILE 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xsa n GLU 151 N 0.00 1.65 -0.17 0.38 1.02 -1.26 -3.96 120.64 118.30 1xsa n GLU 151 Ca 0.00 -1.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.11 1xsa n GLU 151 Cb 0.00 -1.29 0.17 0.00 -0.02 0.00 0.00 31.44 30.30 1xsa n GLU 151 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsa h ALA 152 N 3.72 1.21 0.00 0.62 0.00 -1.83 -3.51 119.26 119.47 1xsa h ALA 152 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xsa h ALA 152 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xsa h ALA 152 CO 0.00 0.56 0.00 -0.11 0.00 0.00 0.00 179.25 179.70