#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 -6.97 1.61 0.13 -2.06 -3.44 132.00 121.27 1xsa h PRO 2 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1xsa h PRO 2 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1xsa h PRO 2 CO 0.00 0.57 0.35 -0.51 -0.23 0.00 0.00 178.00 178.18 1xsa s LEU 3 N -7.50 4.15 0.49 1.56 1.02 -1.26 -4.47 118.68 112.67 1xsa s LEU 3 Ca -0.01 1.79 -0.20 0.00 0.02 0.00 0.00 54.13 55.74 1xsa s LEU 3 Cb 0.12 -4.26 -0.11 0.00 0.02 0.00 0.00 46.19 41.96 1xsa s LEU 3 CO 0.75 -0.24 0.45 0.61 0.02 0.00 0.00 176.35 177.93 1xsa n GLY 4 N 0.03 -1.73 3.70 -3.19 0.00 -1.26 -4.82 105.19 97.92 1xsa n GLY 4 Ca 0.04 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1xsa n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsa n SER 5 N 1.13 2.14 -1.12 1.61 7.64 -1.26 -4.65 113.62 119.10 1xsa n SER 5 Ca 0.11 0.94 0.07 0.00 1.01 0.00 0.00 58.87 61.00 1xsa n SER 5 Cb 0.44 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 1xsa n SER 5 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1xsa n MET 6 N -0.96 -2.01 -3.28 1.43 2.81 -1.26 -4.66 117.12 109.19 1xsa n MET 6 Ca 0.11 1.63 -0.40 0.00 -1.81 0.00 0.00 57.70 57.23 1xsa n MET 6 Cb 0.45 -2.45 -0.08 0.00 -0.71 0.00 0.00 33.22 30.42 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 -4.70 3.58 0.00 3.04 0.00 -1.26 -4.95 121.76 117.47 1xsa s ALA 7 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1xsa s ALA 7 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1xsa s ALA 7 CO 0.00 -0.72 0.00 1.28 0.00 0.00 0.00 175.76 176.32 1xsa n LEU 8 N 5.48 0.33 -3.90 0.00 4.77 -1.26 -4.86 117.00 117.56 1xsa n LEU 8 Ca -0.05 0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.81 1xsa n LEU 8 Cb 0.50 -0.38 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1xsa n LEU 8 CO 0.39 -0.38 -0.41 0.00 -1.33 0.00 0.00 177.39 175.66 1xsa s ARG 9 N -0.77 1.44 0.57 3.23 1.70 -1.26 -3.28 118.95 120.59 1xsa s ARG 9 Ca 0.00 -0.84 0.06 0.00 -0.47 0.00 0.00 55.73 54.49 1xsa s ARG 9 Cb 0.00 -2.44 0.08 0.00 -0.57 0.00 0.00 34.95 32.01 1xsa s ARG 9 CO 0.00 -0.58 0.79 0.00 -1.08 0.00 0.00 175.30 174.43 1xsa s ALA 10 N 1.50 4.37 0.04 7.88 0.00 0.11 -3.54 121.76 132.12 1xsa s ALA 10 Ca -0.04 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.04 1xsa s ALA 10 Cb -0.18 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1xsa s ALA 10 CO -0.07 -0.87 -0.05 0.00 0.00 0.00 0.00 175.76 174.78 1xsa s GLY 12 N -2.01 2.00 -0.18 0.00 0.00 1.17 -1.63 107.32 106.66 1xsa s GLY 12 Ca -0.06 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1xsa s GLY 12 CO -0.03 -1.61 -0.10 1.08 0.00 0.00 0.00 173.10 172.45 1xsa s LEU 13 N -3.37 2.02 -0.96 0.66 1.43 -0.17 -2.57 118.68 115.72 1xsa s LEU 13 Ca 0.36 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 1xsa s LEU 13 Cb 0.06 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1xsa s LEU 13 CO 0.16 -0.14 1.90 -0.63 0.23 0.00 0.00 176.35 177.87 1xsa s ILE 14 N 1.47 3.51 0.17 -0.59 -1.09 0.61 -4.40 121.20 120.89 1xsa s ILE 14 Ca 0.00 -0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 57.63 1xsa s ILE 14 Cb -0.15 -4.20 -0.08 0.00 -1.58 0.00 0.00 42.46 36.45 1xsa s ILE 14 CO -0.08 -1.05 0.90 -0.63 -1.23 0.00 0.00 174.94 172.84 1xsa s ILE 15 N 9.70 4.30 0.06 2.92 1.01 -1.26 -1.28 121.20 136.65 1xsa s ILE 15 Ca 0.68 1.97 -0.20 0.00 0.00 0.00 0.00 60.65 63.09 1xsa s ILE 15 Cb -0.05 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.19 1xsa s ILE 15 CO 0.01 0.45 0.47 0.72 0.00 0.00 0.00 174.94 176.59 1xsa s PHE 16 N -0.77 -0.35 -0.05 3.97 -0.12 -0.57 -1.53 117.98 118.55 1xsa s PHE 16 Ca 0.41 0.32 0.03 0.00 -0.05 0.00 0.00 56.93 57.64 1xsa s PHE 16 Cb -0.24 0.30 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 1xsa s PHE 16 CO 0.29 -0.63 -0.14 -0.98 -0.05 0.00 0.00 175.22 173.72 1xsa s ARG 17 N -2.66 1.66 -0.15 1.99 1.70 -0.90 -2.69 118.95 117.90 1xsa s ARG 17 Ca -0.04 -0.47 -0.05 0.00 -0.47 0.00 0.00 55.73 54.70 1xsa s ARG 17 Cb -0.00 -1.40 -0.04 0.00 -0.57 0.00 0.00 34.95 32.94 1xsa s ARG 17 CO -0.04 0.10 0.04 -0.98 -1.08 0.00 0.00 175.30 173.35 1xsa s ARG 18 N 0.41 3.63 0.70 3.89 1.70 -1.24 -1.81 118.95 126.23 1xsa s ARG 18 Ca -0.10 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 1xsa s ARG 18 Cb -0.14 -3.07 0.14 0.00 -0.57 0.00 0.00 34.95 31.31 1xsa s ARG 18 CO 0.03 0.43 0.95 0.00 -1.08 0.00 0.00 175.30 175.64 1xsa h LEU 20 N 0.00 0.27 -7.36 0.00 3.38 -1.98 -3.46 115.31 106.16 1xsa h LEU 20 Ca -0.32 0.07 0.16 0.00 0.09 0.00 0.00 57.88 57.89 1xsa h LEU 20 Cb 1.18 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 1xsa h LEU 20 CO 0.35 0.17 0.52 -0.51 0.09 0.00 0.00 178.44 179.05 1xsa s ILE 21 N -6.09 0.00 0.31 1.22 1.10 -1.26 -5.05 121.20 111.42 1xsa s ILE 21 Ca -0.13 -0.36 -0.29 0.00 -0.51 0.00 0.00 60.65 59.36 1xsa s ILE 21 Cb 0.17 -1.59 -0.10 0.00 0.15 0.00 0.00 42.46 41.09 1xsa s ILE 21 CO 0.74 0.00 1.26 -2.84 -2.11 0.00 0.00 174.94 171.99 1xsa s PRO 22 N -3.14 4.43 0.00 3.50 0.02 -1.26 -4.26 135.00 134.29 1xsa s PRO 22 Ca 0.10 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1xsa s PRO 22 Cb -0.01 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1xsa s PRO 22 CO -0.03 -0.10 0.00 1.63 -0.33 0.00 0.00 177.00 178.17 1xsa n LYS 23 N 1.07 0.00 -0.06 5.54 5.02 -1.26 -4.90 118.16 123.57 1xsa n LYS 23 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1xsa n LYS 23 Cb 0.43 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.30 1xsa n LYS 23 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1xsa n VAL 24 N 0.00 1.58 -0.16 -0.18 0.24 -1.26 -4.84 118.33 113.71 1xsa n VAL 24 Ca 0.00 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1xsa n VAL 24 Cb 0.00 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 1xsa n VAL 24 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xsa n ASP 25 N -3.14 0.00 -0.01 -1.34 4.64 -1.26 -4.94 116.55 110.50 1xsa n ASP 25 Ca -0.31 -0.08 0.14 0.00 -1.38 0.00 0.00 54.79 53.16 1xsa n ASP 25 Cb 1.06 0.00 0.66 0.00 -1.04 0.00 0.00 41.12 41.80 1xsa n ASP 25 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1xsa n ASN 26 N 0.00 0.09 -1.35 1.67 5.03 -1.26 -4.99 115.26 114.44 1xsa n ASN 26 Ca 0.00 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.49 1xsa n ASN 26 Cb 0.04 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.49 1xsa n ASN 26 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1xsa n ASN 27 N -1.34 -4.67 0.19 6.41 3.02 -1.26 -4.53 115.26 113.08 1xsa n ASN 27 Ca 0.11 0.85 0.04 0.00 -0.03 0.00 0.00 54.58 55.55 1xsa n ASN 27 Cb 0.29 -3.47 0.39 0.00 -0.61 0.00 0.00 39.78 36.38 1xsa n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsa h ALA 28 N 0.77 1.35 -3.24 5.41 0.00 -1.89 -3.43 119.26 118.24 1xsa h ALA 28 Ca 0.00 -0.31 -0.66 0.00 0.00 0.00 0.00 54.91 53.94 1xsa h ALA 28 Cb 0.25 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.83 1xsa h ALA 28 CO 0.00 0.43 -0.60 0.42 0.00 0.00 0.00 179.25 179.50 1xsa s ILE 29 N -4.15 4.49 0.12 0.00 1.01 -1.26 0.29 121.20 121.70 1xsa s ILE 29 Ca -0.03 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1xsa s ILE 29 Cb 0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1xsa s ILE 29 CO 0.71 0.56 -0.08 -1.61 0.00 0.00 0.00 174.94 174.52 1xsa s GLU 30 N -0.46 0.94 -0.06 2.79 0.41 -0.75 -4.62 118.70 116.96 1xsa s GLU 30 Ca 0.09 -1.39 0.01 0.00 -0.41 0.00 0.00 54.97 53.27 1xsa s GLU 30 Cb -0.12 -0.41 -0.03 0.00 -1.78 0.00 0.00 34.13 31.79 1xsa s GLU 30 CO 0.02 0.03 -0.06 -0.06 -0.49 0.00 0.00 175.26 174.70 1xsa s PHE 31 N -3.46 2.95 -0.37 1.61 0.08 1.58 -2.12 117.98 118.24 1xsa s PHE 31 Ca 0.14 0.03 -0.12 0.00 0.12 0.00 0.00 56.93 57.10 1xsa s PHE 31 Cb 0.04 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.81 1xsa s PHE 31 CO -0.02 0.35 0.23 -1.17 -0.10 0.00 0.00 175.22 174.51 1xsa s LEU 32 N -0.93 4.72 0.39 -0.37 2.96 -0.58 -0.27 118.68 124.59 1xsa s LEU 32 Ca 0.13 -0.86 0.08 0.00 -0.22 0.00 0.00 54.13 53.26 1xsa s LEU 32 Cb -0.11 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1xsa s LEU 32 CO 0.03 -0.36 0.24 -0.76 -1.32 0.00 0.00 176.35 174.18 1xsa s LEU 33 N 1.61 3.29 -0.04 -0.68 1.43 -1.02 -4.56 118.68 118.71 1xsa s LEU 33 Ca 0.03 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1xsa s LEU 33 Cb -0.19 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1xsa s LEU 33 CO 0.08 -0.49 -0.10 -0.76 0.23 0.00 0.00 176.35 175.31 1xsa s LEU 34 N -3.97 1.71 -0.40 1.79 1.43 0.30 -2.50 118.68 117.03 1xsa s LEU 34 Ca 0.42 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 1xsa s LEU 34 Cb -0.01 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.57 1xsa s LEU 34 CO 0.25 0.05 0.30 -1.58 0.23 0.00 0.00 176.35 175.60 1xsa s GLN 35 N 0.38 3.04 0.15 1.70 0.74 0.46 0.80 119.66 126.93 1xsa s GLN 35 Ca -0.07 -0.95 -0.30 0.00 0.05 0.00 0.00 55.36 54.08 1xsa s GLN 35 Cb -0.11 -3.96 -0.07 0.00 1.10 0.00 0.00 33.01 29.96 1xsa s GLN 35 CO 0.01 -0.72 1.21 0.00 -0.55 0.00 0.00 175.29 175.24 1xsa s ALA 36 N 1.72 3.43 -0.05 1.58 0.00 -0.96 -3.21 121.76 124.27 1xsa s ALA 36 Ca 0.06 0.93 0.22 0.00 0.00 0.00 0.00 51.96 53.17 1xsa s ALA 36 Cb -0.19 -3.43 -0.31 0.00 0.00 0.00 0.00 23.12 19.19 1xsa s ALA 36 CO 0.10 -0.40 0.53 0.45 0.00 0.00 0.00 175.76 176.45 1xsa n SER 37 N 2.98 0.08 -0.35 0.00 2.88 -1.25 -3.59 113.62 114.37 1xsa n SER 37 Ca 0.06 0.02 -0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1xsa n SER 37 Cb 0.45 1.87 0.13 0.00 -0.75 0.00 0.00 64.21 65.91 1xsa n SER 37 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1xsa h ASP 38 N 0.00 1.01 0.00 -3.46 3.45 -1.91 -3.32 116.42 112.19 1xsa h ASP 38 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1xsa h ASP 38 Cb 1.00 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 1xsa h ASP 38 CO 0.00 0.69 0.00 0.61 -1.57 0.00 0.00 179.24 178.97 1xsa n GLY 39 N -1.35 -0.23 0.00 2.75 0.00 -1.26 -5.08 105.19 100.01 1xsa n GLY 39 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.91 0.00 -2.49 -0.61 -6.64 -1.24 -5.04 119.36 101.43 1xsa n ILE 40 Ca 0.00 0.00 0.03 0.00 -1.77 0.00 0.00 62.75 61.01 1xsa n ILE 40 Cb 0.00 0.00 0.02 0.00 -1.44 0.00 0.00 39.64 38.22 1xsa n ILE 40 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1xsa n HIS 41 N 0.00 0.09 -2.57 4.28 8.25 -1.24 -3.96 115.22 120.08 1xsa n HIS 41 Ca 0.00 -0.65 -0.34 0.00 -0.26 0.00 0.00 57.72 56.47 1xsa n HIS 41 Cb 0.00 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.32 3.06 -0.04 4.41 -3.43 -1.26 -4.82 115.29 112.89 1xsa s HIS 42 Ca 0.31 1.59 -0.09 0.00 -0.80 0.00 0.00 55.06 56.06 1xsa s HIS 42 Cb 0.36 -3.06 -0.05 0.00 -1.43 0.00 0.00 32.58 28.40 1xsa s HIS 42 CO -0.15 -0.74 0.27 -1.58 -2.00 0.00 0.00 174.74 170.54 1xsa s TRP 43 N -1.96 3.63 -0.07 0.38 0.52 -1.26 -2.27 118.94 117.92 1xsa s TRP 43 Ca 0.66 0.70 -0.31 0.00 0.02 0.00 0.00 56.10 57.16 1xsa s TRP 43 Cb -0.16 -2.07 0.08 0.00 -1.15 0.00 0.00 33.47 30.17 1xsa s TRP 43 CO 0.20 0.67 0.73 -0.08 0.02 0.00 0.00 176.95 178.49 1xsa s THR 44 N -1.13 0.00 0.64 2.01 -1.32 0.24 -4.66 115.64 111.42 1xsa s THR 44 Ca 0.22 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1xsa s THR 44 Cb -0.14 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1xsa s THR 44 CO 0.11 0.00 1.04 -2.16 -2.21 0.00 0.00 174.62 171.39 1xsa s PRO 45 N -1.17 3.31 -0.13 7.08 0.04 -1.26 0.11 135.00 142.97 1xsa s PRO 45 Ca -0.09 0.59 -0.37 0.00 0.04 0.00 0.00 61.00 61.16 1xsa s PRO 45 Cb -0.00 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 1xsa s PRO 45 CO 0.09 -0.72 1.71 -2.30 0.04 0.00 0.00 177.00 175.82 1xsa n PRO 46 N -2.81 1.54 -3.59 0.56 -0.02 -1.26 -4.81 135.00 124.61 1xsa n PRO 46 Ca 0.06 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1xsa n PRO 46 Cb 0.55 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1xsa n PRO 46 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xsa s LYS 47 N 3.00 0.78 0.06 -0.52 2.20 -1.26 -1.00 119.74 123.00 1xsa s LYS 47 Ca 0.93 0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 57.07 1xsa s LYS 47 Cb -0.91 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 35.76 1xsa s LYS 47 CO 0.56 -0.16 0.06 0.20 -0.36 0.00 0.00 175.35 175.65 1xsa s GLY 48 N -0.30 0.30 0.85 5.54 0.00 -0.65 -4.90 107.32 108.15 1xsa s GLY 48 Ca -0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 1xsa s GLY 48 CO 0.02 -1.06 1.10 -1.58 0.00 0.00 0.00 173.10 171.57 1xsa s HIS 49 N -3.73 2.33 -0.15 1.90 2.46 -1.26 -1.95 115.29 114.89 1xsa s HIS 49 Ca 0.05 1.47 -0.17 0.00 0.47 0.00 0.00 55.06 56.88 1xsa s HIS 49 Cb 0.06 -3.12 -0.04 0.00 -0.13 0.00 0.00 32.58 29.34 1xsa s HIS 49 CO -0.10 -2.20 0.44 0.54 -2.47 0.00 0.00 174.74 170.95 1xsa s VAL 50 N -2.87 5.20 0.50 0.89 0.11 -1.23 -4.83 120.40 118.17 1xsa s VAL 50 Ca 0.63 0.85 -0.10 0.00 -2.93 0.00 0.00 61.98 60.43 1xsa s VAL 50 Cb -0.18 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1xsa s VAL 50 CO 0.57 0.31 0.87 -1.61 -3.33 0.00 0.00 175.10 171.90 1xsa s GLU 51 N 0.84 3.68 0.00 1.54 2.02 -1.26 -4.19 118.70 121.33 1xsa s GLU 51 Ca 0.23 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.74 1xsa s GLU 51 Cb -0.15 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1xsa s GLU 51 CO 0.09 -0.25 0.32 -0.35 0.02 0.00 0.00 175.26 175.09 1xsa n PRO 52 N -1.99 0.32 -1.50 0.39 -0.04 -1.26 -2.40 135.00 128.52 1xsa n PRO 52 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1xsa n PRO 52 Cb 0.54 -1.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.17 1.56 0.00 0.55 0.00 -1.26 -5.09 105.19 100.77 1xsa n GLY 53 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1xsa n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xsa n GLU 54 N 0.24 0.00 -4.62 1.61 0.28 -1.01 -5.15 120.64 111.99 1xsa n GLU 54 Ca 0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.80 1xsa n GLU 54 Cb 1.07 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.84 1xsa n GLU 54 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1xsa s ASP 55 N 0.03 3.66 0.01 -1.84 3.68 -1.26 -4.90 116.67 116.05 1xsa s ASP 55 Ca 0.00 -1.45 -0.25 0.00 2.13 0.00 0.00 52.55 52.98 1xsa s ASP 55 Cb 0.00 -0.11 -0.18 0.00 -1.45 0.00 0.00 42.92 41.18 1xsa s ASP 55 CO 0.00 -0.58 1.35 0.44 0.13 0.00 0.00 175.17 176.51 1xsa h ASP 56 N 1.73 -0.09 -0.04 -0.34 3.45 -1.97 0.50 116.42 119.66 1xsa h ASP 56 Ca -0.43 -0.31 -0.12 0.00 0.43 0.00 0.00 57.03 56.60 1xsa h ASP 56 Cb 1.26 0.02 0.01 0.00 -0.56 0.00 0.00 39.33 40.06 1xsa h ASP 56 CO 0.77 0.26 -0.45 0.25 -1.57 0.00 0.00 179.24 178.51 1xsa h LEU 57 N -0.46 0.46 -1.42 1.55 5.85 -1.97 -1.75 115.31 117.57 1xsa h LEU 57 Ca -0.01 -0.71 0.19 0.00 0.84 0.00 0.00 57.88 58.19 1xsa h LEU 57 Cb 0.39 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1xsa h LEU 57 CO 0.02 1.10 0.60 -0.33 -0.34 0.00 0.00 178.44 179.49 1xsa h GLU 58 N -0.15 0.47 -0.07 1.25 5.08 -1.96 1.05 114.58 120.25 1xsa h GLU 58 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1xsa h GLU 58 Cb 1.14 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1xsa h GLU 58 CO 0.09 0.31 -0.01 1.15 -1.00 0.00 0.00 179.01 179.55 1xsa h THR 59 N 0.49 1.27 -0.82 1.13 2.02 -0.70 0.68 112.91 116.96 1xsa h THR 59 Ca 0.48 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1xsa h THR 59 Cb 1.08 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 69.14 1xsa h THR 59 CO -0.21 0.23 0.53 0.00 0.37 0.00 0.00 175.52 176.45 1xsa h ALA 60 N 0.70 1.09 -0.67 6.16 0.00 0.63 0.58 119.26 127.74 1xsa h ALA 60 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xsa h ALA 60 Cb 0.37 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xsa h ALA 60 CO 0.01 0.35 0.23 -0.07 0.00 0.00 0.00 179.25 179.77 1xsa h LEU 61 N 1.02 0.93 -0.20 0.00 3.38 0.12 0.83 115.31 121.41 1xsa h LEU 61 Ca 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1xsa h LEU 61 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1xsa h LEU 61 CO -0.12 0.86 0.07 -0.09 0.09 0.00 0.00 178.44 179.25 1xsa h ARG 62 N 0.98 0.30 -0.02 1.13 2.43 0.30 -2.67 114.38 116.82 1xsa h ARG 62 Ca 0.22 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1xsa h ARG 62 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1xsa h ARG 62 CO -0.01 0.38 -0.56 0.00 -1.51 0.00 0.00 179.97 178.27 1xsa h ALA 63 N 0.90 1.04 -0.66 2.80 0.00 0.53 -2.07 119.26 121.79 1xsa h ALA 63 Ca 0.06 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.57 1xsa h ALA 63 Cb 0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1xsa h ALA 63 CO -0.00 0.70 0.26 1.15 0.00 0.00 0.00 179.25 181.35 1xsa h THR 64 N 0.05 0.74 0.01 0.00 2.02 0.10 1.17 112.91 117.00 1xsa h THR 64 Ca -0.00 -0.15 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 1xsa h THR 64 Cb 1.00 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1xsa h THR 64 CO 0.08 0.08 -0.65 -0.61 0.37 0.00 0.00 175.52 174.78 1xsa h GLN 65 N 0.44 0.43 -0.01 6.66 4.15 0.26 -2.38 115.11 124.65 1xsa h GLN 65 Ca 0.34 -0.47 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1xsa h GLN 65 Cb 0.45 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1xsa h GLN 65 CO -0.33 1.13 -0.01 1.49 -1.93 0.00 0.00 178.83 179.18 1xsa h GLU 66 N -0.08 0.03 -0.34 1.69 4.81 -0.64 2.57 114.58 122.61 1xsa h GLU 66 Ca -0.08 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1xsa h GLU 66 Cb 1.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1xsa h GLU 66 CO 0.13 0.50 -0.32 0.93 -0.73 0.00 0.00 179.01 179.52 1xsa h GLU 67 N -0.45 0.74 0.00 1.92 3.07 0.12 -2.28 114.58 117.71 1xsa h GLU 67 Ca 0.00 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 1xsa h GLU 67 Cb 0.49 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1xsa h GLU 67 CO 0.00 0.96 -1.21 0.00 -1.40 0.00 0.00 179.01 177.36 1xsa n ALA 68 N -2.51 2.10 -0.12 3.43 0.00 -0.95 -4.37 120.51 118.08 1xsa n ALA 68 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xsa n ALA 68 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 2.37 0.82 3.59 0.00 0.00 0.86 0.38 105.19 113.21 1xsa n GLY 69 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.08 4.56 0.31 -0.61 1.01 -0.94 -4.39 121.20 119.06 1xsa s ILE 70 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.59 1xsa s ILE 70 Cb 0.00 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1xsa s ILE 70 CO 0.00 0.46 0.44 -1.83 0.00 0.00 0.00 174.94 174.01 1xsa s GLU 71 N 0.48 3.25 0.31 2.79 -1.05 -1.26 0.50 118.70 123.72 1xsa s GLU 71 Ca 0.02 -0.85 0.01 0.00 -0.15 0.00 0.00 54.97 53.99 1xsa s GLU 71 Cb -0.13 -2.82 0.49 0.00 -0.44 0.00 0.00 34.13 31.23 1xsa s GLU 71 CO 0.01 0.19 1.86 0.00 0.95 0.00 0.00 175.26 178.27 1xsa h ALA 72 N 0.96 1.30 0.00 -0.84 0.00 -1.84 -0.38 119.26 118.45 1xsa h ALA 72 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1xsa h ALA 72 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xsa h ALA 72 CO 0.56 0.49 0.26 0.78 0.00 0.00 0.00 179.25 181.35 1xsa h GLY 73 N 0.91 0.00 0.00 0.00 0.00 -1.98 0.75 103.07 102.74 1xsa h GLY 73 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1xsa h GLY 73 CO -0.00 0.00 -1.83 -0.18 0.00 0.00 0.00 176.54 174.52 1xsa n GLN 74 N -2.35 0.68 -4.23 4.80 7.27 -0.21 -4.97 117.38 118.36 1xsa n GLN 74 Ca -0.01 -0.13 -0.26 0.00 0.07 0.00 0.00 57.00 56.67 1xsa n GLN 74 Cb 0.29 -1.41 -0.08 0.00 2.41 0.00 0.00 30.24 31.46 1xsa n GLN 74 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1xsa s LEU 75 N -4.36 3.26 -0.13 1.69 1.43 0.26 -2.96 118.68 117.87 1xsa s LEU 75 Ca -0.07 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1xsa s LEU 75 Cb 0.10 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1xsa s LEU 75 CO 0.70 0.07 -0.17 0.28 0.23 0.00 0.00 176.35 177.47 1xsa s THR 76 N -1.83 2.65 -0.39 5.49 -1.32 -0.81 -4.71 115.64 114.72 1xsa s THR 76 Ca 0.28 -0.80 -0.26 0.00 -1.21 0.00 0.00 61.69 59.71 1xsa s THR 76 Cb -0.09 -2.09 0.02 0.00 -1.51 0.00 0.00 72.50 68.83 1xsa s THR 76 CO 0.18 0.53 0.92 -0.63 -2.21 0.00 0.00 174.62 173.42 1xsa s ILE 77 N 0.52 4.57 0.33 5.08 -1.09 -1.26 -1.86 121.20 127.48 1xsa s ILE 77 Ca -0.11 1.10 0.14 0.00 -2.23 0.00 0.00 60.65 59.55 1xsa s ILE 77 Cb -0.16 -4.35 0.08 0.00 -1.58 0.00 0.00 42.46 36.45 1xsa s ILE 77 CO 0.04 -0.59 1.78 0.40 -1.23 0.00 0.00 174.94 175.35 1xsa h ILE 78 N 5.87 1.22 0.00 2.92 5.03 -1.73 -3.47 117.51 127.35 1xsa h ILE 78 Ca -0.23 -1.44 0.00 0.00 -0.12 0.00 0.00 64.86 63.07 1xsa h ILE 78 Cb 1.08 1.79 0.00 0.00 -3.03 0.00 0.00 36.82 36.66 1xsa h ILE 78 CO 0.99 0.40 0.00 -0.62 -0.68 0.00 0.00 178.15 178.24 1xsa n GLU 79 N -3.95 0.00 0.00 2.37 1.02 -1.23 -4.77 120.64 114.09 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 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 0.19 3.45 0.62 0.00 -1.26 -4.35 105.19 103.84 1xsa n GLY 80 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.09 -0.23 1.61 2.19 -1.26 -5.05 117.98 118.33 1xsa s PHE 81 Ca 0.00 -0.41 -0.05 0.00 0.33 0.00 0.00 56.93 56.80 1xsa s PHE 81 Cb 0.00 -2.21 0.12 0.00 -1.31 0.00 0.00 43.02 39.61 1xsa s PHE 81 CO 0.00 -0.33 0.41 0.21 1.83 0.00 0.00 175.22 177.34 1xsa s LYS 82 N 1.50 0.35 0.26 10.12 2.36 -1.26 -3.98 119.74 129.10 1xsa s LYS 82 Ca 0.06 0.79 -0.08 0.00 -2.55 0.00 0.00 55.97 54.19 1xsa s LYS 82 Cb -0.15 -0.05 -0.01 0.00 -1.05 0.00 0.00 37.83 36.57 1xsa s LYS 82 CO 0.03 -0.46 0.41 1.03 1.55 0.00 0.00 175.35 177.91 1xsa s ARG 83 N 2.60 1.58 -0.58 4.03 1.81 -1.25 -5.01 118.95 122.13 1xsa s ARG 83 Ca 0.07 -1.46 -0.24 0.00 -1.72 0.00 0.00 55.73 52.38 1xsa s ARG 83 Cb -0.14 0.43 0.04 0.00 -0.45 0.00 0.00 34.95 34.83 1xsa s ARG 83 CO -0.15 -0.64 0.97 -1.21 -0.68 0.00 0.00 175.30 173.60 1xsa s GLU 84 N -3.78 3.30 0.06 3.54 8.01 -1.26 -2.61 118.70 125.96 1xsa s GLU 84 Ca 0.28 -0.31 -0.30 0.00 0.01 0.00 0.00 54.97 54.64 1xsa s GLU 84 Cb 0.01 -4.08 -0.05 0.00 -4.31 0.00 0.00 34.13 25.70 1xsa s GLU 84 CO 0.12 -1.57 1.12 -1.17 0.01 0.00 0.00 175.26 173.78 1xsa s LEU 85 N 4.09 4.39 -0.05 1.80 2.96 7.70 -4.66 118.68 134.91 1xsa s LEU 85 Ca 0.30 1.93 0.02 0.00 -0.22 0.00 0.00 54.13 56.16 1xsa s LEU 85 Cb -0.13 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1xsa s LEU 85 CO 0.18 -0.37 -0.10 0.20 -1.32 0.00 0.00 176.35 174.94 1xsa s ASN 86 N 0.87 1.47 0.19 3.68 0.02 -1.26 0.34 114.94 120.25 1xsa s ASN 86 Ca 0.55 -0.24 -0.13 0.00 -1.02 0.00 0.00 52.86 52.03 1xsa s ASN 86 Cb -0.27 -0.66 0.00 0.00 0.02 0.00 0.00 41.25 40.34 1xsa s ASN 86 CO 0.30 0.01 0.40 -0.72 0.02 0.00 0.00 177.10 177.11 1xsa s TYR 87 N 0.68 0.22 -0.23 2.20 1.13 -1.23 -4.73 117.35 115.39 1xsa s TYR 87 Ca -0.13 -0.57 0.10 0.00 -1.41 0.00 0.00 57.07 55.06 1xsa s TYR 87 Cb -0.15 0.14 0.43 0.00 -1.10 0.00 0.00 41.96 41.29 1xsa s TYR 87 CO 0.02 -0.84 1.25 1.33 -2.51 0.00 0.00 175.55 174.80 1xsa n VAL 88 N -0.29 2.29 -0.42 -3.49 0.24 -1.26 -2.86 118.33 112.54 1xsa n VAL 88 Ca -0.07 -3.27 0.38 0.00 -2.04 0.00 0.00 64.34 59.34 1xsa n VAL 88 Cb 0.63 -0.33 0.58 0.00 -1.47 0.00 0.00 33.84 33.25 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 -1.09 1.34 -1.25 2.33 0.00 -1.26 0.38 120.51 120.96 1xsa n ALA 89 Ca 0.23 0.46 -0.09 0.00 0.00 0.00 0.00 53.44 54.04 1xsa n ALA 89 Cb 0.76 -0.81 0.22 0.00 0.00 0.00 0.00 19.45 19.62 1xsa n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsa n ARG 90 N -3.46 2.47 -2.95 0.00 1.74 -1.26 -4.89 116.66 108.31 1xsa n ARG 90 Ca 0.32 -3.08 -0.22 0.00 -0.77 0.00 0.00 57.85 54.09 1xsa n ARG 90 Cb 1.68 -2.02 0.03 0.00 -1.02 0.00 0.00 32.46 31.14 1xsa n ARG 90 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xsa n ASN 91 N -0.87 -6.15 -3.28 0.55 3.02 1.21 -4.95 115.26 104.77 1xsa n ASN 91 Ca 0.42 -0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.68 1xsa n ASN 91 Cb 1.30 -4.98 -0.05 0.00 -0.61 0.00 0.00 39.78 35.44 1xsa n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xsa s LYS 92 N -5.63 0.46 -0.95 3.52 2.20 -1.20 -5.05 119.74 113.08 1xsa s LYS 92 Ca 0.27 0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 56.46 1xsa s LYS 92 Cb -0.12 0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.27 1xsa s LYS 92 CO 0.34 -0.60 1.84 -1.25 -0.36 0.00 0.00 175.35 175.32 1xsa s PRO 93 N 2.71 2.79 0.22 4.03 0.04 -1.26 -4.18 135.00 139.35 1xsa s PRO 93 Ca 0.15 -0.54 0.02 0.00 0.04 0.00 0.00 61.00 60.66 1xsa s PRO 93 Cb -0.15 -5.14 -0.04 0.00 0.04 0.00 0.00 34.50 29.21 1xsa s PRO 93 CO -0.18 -3.15 0.38 0.15 0.04 0.00 0.00 177.00 174.23 1xsa s LYS 94 N 6.51 3.48 0.22 4.56 1.02 -1.13 -4.89 119.74 129.50 1xsa s LYS 94 Ca 0.65 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.89 1xsa s LYS 94 Cb -0.05 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 1xsa s LYS 94 CO -0.02 0.40 0.82 0.99 -0.92 0.00 0.00 175.35 176.63 1xsa s THR 95 N -1.92 4.34 -0.04 2.17 2.01 -1.21 -3.49 115.64 117.50 1xsa s THR 95 Ca 0.37 1.69 -0.01 0.00 0.31 0.00 0.00 61.69 64.04 1xsa s THR 95 Cb -0.10 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1xsa s THR 95 CO 0.30 0.37 0.08 -0.69 -0.69 0.00 0.00 174.62 173.99 1xsa s VAL 96 N -1.33 -0.06 -0.14 3.82 1.01 1.05 0.04 120.40 124.79 1xsa s VAL 96 Ca 0.41 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 1xsa s VAL 96 Cb -0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1xsa s VAL 96 CO 0.25 0.08 0.06 -0.63 0.00 0.00 0.00 175.10 174.87 1xsa s ILE 97 N 1.14 4.79 -0.09 2.22 1.01 -0.31 1.07 121.20 131.03 1xsa s ILE 97 Ca -0.09 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.54 1xsa s ILE 97 Cb -0.12 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1xsa s ILE 97 CO -0.04 0.55 -0.18 -0.31 0.00 0.00 0.00 174.94 174.95 1xsa s TYR 98 N -0.36 2.67 0.20 3.97 1.51 -1.07 0.37 117.35 124.63 1xsa s TYR 98 Ca 0.09 -0.61 0.11 0.00 -1.01 0.00 0.00 57.07 55.65 1xsa s TYR 98 Cb -0.12 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1xsa s TYR 98 CO 0.02 -0.16 -0.23 -1.58 -1.11 0.00 0.00 175.55 172.49 1xsa s TRP 99 N -0.01 2.26 0.05 2.71 0.51 -1.06 -3.91 118.94 119.49 1xsa s TRP 99 Ca -0.06 -0.36 -0.26 0.00 -2.12 0.00 0.00 56.10 53.30 1xsa s TRP 99 Cb -0.15 -1.10 -0.05 0.00 -0.81 0.00 0.00 33.47 31.36 1xsa s TRP 99 CO 0.05 0.52 0.80 -0.51 -0.51 0.00 0.00 176.95 177.29 1xsa s LEU 100 N -2.78 4.44 -0.02 2.99 1.43 -1.26 0.22 118.68 123.72 1xsa s LEU 100 Ca 0.22 1.49 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1xsa s LEU 100 Cb -0.07 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1xsa s LEU 100 CO 0.10 -0.02 0.08 0.00 0.23 0.00 0.00 176.35 176.75 1xsa s ALA 101 N 0.05 -0.19 -0.00 4.21 0.00 -0.40 -1.85 121.76 123.58 1xsa s ALA 101 Ca 0.40 0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.44 1xsa s ALA 101 Cb -0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1xsa s ALA 101 CO 0.24 -0.11 -0.23 -2.00 0.00 0.00 0.00 175.76 173.67 1xsa s GLU 102 N -0.58 1.78 -0.26 0.00 2.12 -0.78 -1.51 118.70 119.47 1xsa s GLU 102 Ca -0.07 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.24 1xsa s GLU 102 Cb -0.04 -1.76 -0.03 0.00 0.26 0.00 0.00 34.13 32.56 1xsa s GLU 102 CO 0.00 0.48 0.47 0.14 -0.54 0.00 0.00 175.26 175.80 1xsa s VAL 103 N -0.59 5.11 -1.26 3.70 -7.23 -1.10 -1.93 120.40 117.10 1xsa s VAL 103 Ca 0.09 0.78 0.17 0.00 -1.81 0.00 0.00 61.98 61.21 1xsa s VAL 103 Cb -0.09 -3.78 0.24 0.00 0.56 0.00 0.00 36.38 33.31 1xsa s VAL 103 CO -0.00 0.12 1.52 2.29 -0.31 0.00 0.00 175.10 178.72 1xsa n LYS 104 N 5.36 0.15 -3.69 4.82 2.85 -1.15 -4.15 118.16 122.34 1xsa n LYS 104 Ca -0.06 0.16 -0.38 0.00 -1.05 0.00 0.00 58.31 56.98 1xsa n LYS 104 Cb 0.50 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.28 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 -2.74 5.43 0.54 -5.58 -0.00 -1.26 -4.92 116.67 108.14 1xsa s ASP 105 Ca 0.13 -2.00 0.23 0.00 -0.00 0.00 0.00 52.55 50.92 1xsa s ASP 105 Cb 0.11 -1.90 1.41 0.00 -0.00 0.00 0.00 42.92 42.55 1xsa s ASP 105 CO 0.28 -0.60 2.07 0.22 -0.00 0.00 0.00 175.17 177.14 1xsa h TYR 106 N 8.19 0.00 -0.63 4.23 3.20 -1.97 0.33 116.97 130.32 1xsa h TYR 106 Ca -0.16 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.56 1xsa h TYR 106 Cb 1.06 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.24 1xsa h TYR 106 CO 0.59 0.00 0.17 -0.40 -1.64 0.00 0.00 178.16 176.88 1xsa n ASP 107 N -4.31 4.74 -4.27 -2.11 3.85 -1.26 -5.02 116.55 108.17 1xsa n ASP 107 Ca 0.04 -3.19 -0.38 0.00 -0.71 0.00 0.00 54.79 50.55 1xsa n ASP 107 Cb 0.38 -0.70 0.02 0.00 -1.35 0.00 0.00 41.12 39.46 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 -0.13 0.41 -3.21 2.12 3.14 0.11 -4.84 118.33 115.93 1xsa n VAL 108 Ca 0.36 -0.49 -0.44 0.00 -2.96 0.00 0.00 64.34 60.81 1xsa n VAL 108 Cb 1.27 -0.13 -0.07 0.00 -1.06 0.00 0.00 33.84 33.85 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 -1.34 3.12 -0.86 1.45 2.56 -1.26 -4.99 118.70 117.38 1xsa s GLU 109 Ca 0.57 -0.84 -0.25 0.00 0.00 0.00 0.00 54.97 54.45 1xsa s GLU 109 Cb -0.45 -4.05 0.02 0.00 2.00 0.00 0.00 34.13 31.64 1xsa s GLU 109 CO 0.66 -1.09 1.52 0.42 -0.56 0.00 0.00 175.26 176.21 1xsa s ILE 110 N 2.44 3.71 -0.28 -3.70 -1.09 -1.26 -4.62 121.20 116.40 1xsa s ILE 110 Ca 0.14 -0.20 -0.19 0.00 -2.23 0.00 0.00 60.65 58.18 1xsa s ILE 110 Cb -0.19 -4.71 -0.02 0.00 -1.58 0.00 0.00 42.46 35.96 1xsa s ILE 110 CO 0.13 -1.63 0.55 -0.13 -1.23 0.00 0.00 174.94 172.63 1xsa s ARG 111 N 5.80 4.00 -0.51 2.79 0.52 1.22 -4.82 118.95 127.95 1xsa s ARG 111 Ca 0.49 0.31 -0.18 0.00 -0.52 0.00 0.00 55.73 55.82 1xsa s ARG 111 Cb -0.05 -3.68 0.07 0.00 0.52 0.00 0.00 34.95 31.81 1xsa s ARG 111 CO 0.03 -0.43 0.58 -0.51 0.02 0.00 0.00 175.30 174.99 1xsa s LEU 112 N 2.40 5.23 0.98 2.53 1.43 -1.21 0.93 118.68 130.97 1xsa s LEU 112 Ca 0.22 -1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1xsa s LEU 112 Cb -0.15 -2.35 0.18 0.00 0.03 0.00 0.00 46.19 43.89 1xsa s LEU 112 CO 0.10 -0.86 1.09 -0.44 0.23 0.00 0.00 176.35 176.46 1xsa s SER 113 N 2.84 2.75 -0.94 2.29 0.01 -0.86 -4.65 113.70 115.14 1xsa s SER 113 Ca 0.11 1.30 -0.21 0.00 1.31 0.00 0.00 55.95 58.47 1xsa s SER 113 Cb -0.22 -1.98 -0.25 0.00 0.21 0.00 0.00 66.02 63.79 1xsa s SER 113 CO 0.09 -3.07 2.32 1.57 0.41 0.00 0.00 173.24 174.57 1xsa n HIS 114 N -4.15 0.32 0.00 2.43 -0.00 -1.26 -3.09 115.22 109.46 1xsa n HIS 114 Ca 0.06 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.45 1xsa n HIS 114 Cb 0.56 -1.53 0.00 0.00 -0.12 0.00 0.00 29.99 28.91 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 6.84 0.00 -4.83 1.57 2.13 -1.26 -5.04 120.64 120.05 1xsa n GLU 115 Ca 0.63 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 58.12 1xsa n GLU 115 Cb 0.07 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.65 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 2.75 -0.13 4.31 3.76 -1.18 -3.98 115.29 120.82 1xsa s HIS 116 Ca 0.00 -0.12 0.16 0.00 -0.15 0.00 0.00 55.06 54.95 1xsa s HIS 116 Cb 0.00 -1.64 0.28 0.00 1.11 0.00 0.00 32.58 32.33 1xsa s HIS 116 CO 0.00 0.22 1.15 0.94 -0.85 0.00 0.00 174.74 176.20 1xsa n GLN 117 N 2.26 1.18 -3.70 1.40 7.27 -1.21 -4.59 117.38 119.99 1xsa n GLN 117 Ca -0.17 -2.52 -0.10 0.00 0.07 0.00 0.00 57.00 54.27 1xsa n GLN 117 Cb 0.52 -1.39 -0.11 0.00 2.41 0.00 0.00 30.24 31.67 1xsa n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsa s ALA 118 N -2.60 -1.06 -0.16 1.69 0.00 -1.20 -4.96 121.76 113.48 1xsa s ALA 118 Ca 0.30 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.67 1xsa s ALA 118 Cb 0.27 -0.93 0.05 0.00 0.00 0.00 0.00 23.12 22.51 1xsa s ALA 118 CO 0.01 -0.26 0.40 1.52 0.00 0.00 0.00 175.76 177.42 1xsa s TYR 119 N 1.36 -0.49 0.02 0.00 1.13 -1.26 -0.40 117.35 117.72 1xsa s TYR 119 Ca -0.09 1.14 -0.04 0.00 -1.41 0.00 0.00 57.07 56.67 1xsa s TYR 119 Cb -0.08 0.19 -0.01 0.00 -1.10 0.00 0.00 41.96 40.95 1xsa s TYR 119 CO -0.12 -0.25 0.05 1.03 -2.51 0.00 0.00 175.55 173.74 1xsa s ARG 120 N 0.61 0.46 -0.41 -3.49 0.52 -1.04 -4.98 118.95 110.62 1xsa s ARG 120 Ca -0.03 -0.65 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 1xsa s ARG 120 Cb -0.05 0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.64 1xsa s ARG 120 CO -0.04 -0.10 0.29 -1.58 0.02 0.00 0.00 175.30 173.89 1xsa s TRP 121 N -1.99 3.25 0.39 -0.53 0.52 -1.26 -2.42 118.94 116.90 1xsa s TRP 121 Ca -0.10 -0.81 0.04 0.00 0.02 0.00 0.00 56.10 55.24 1xsa s TRP 121 Cb -0.05 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.54 1xsa s TRP 121 CO -0.02 -0.66 0.08 -0.51 0.02 0.00 0.00 176.95 175.86 1xsa s LEU 122 N 1.62 2.13 0.00 2.99 1.43 0.62 -4.83 118.68 122.65 1xsa s LEU 122 Ca 0.04 -1.55 -0.07 0.00 -1.03 0.00 0.00 54.13 51.52 1xsa s LEU 122 Cb -0.20 -0.32 0.15 0.00 0.03 0.00 0.00 46.19 45.85 1xsa s LEU 122 CO 0.08 -0.78 0.97 0.61 0.23 0.00 0.00 176.35 177.45 1xsa n GLY 123 N -0.87 -0.38 0.13 -3.19 0.00 -1.26 0.45 105.19 100.07 1xsa n GLY 123 Ca -0.06 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.24 -0.00 0.99 5.85 -1.95 0.17 115.31 120.12 1xsa h LEU 124 Ca -0.32 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1xsa h LEU 124 Cb 1.00 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1xsa h LEU 124 CO 0.27 -0.12 -0.09 1.05 -0.34 0.00 0.00 178.44 179.21 1xsa h GLU 125 N -0.15 -0.15 -0.53 1.25 4.11 -1.99 0.57 114.58 117.69 1xsa h GLU 125 Ca 0.03 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 1xsa h GLU 125 Cb 0.19 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1xsa h GLU 125 CO -0.08 -0.10 0.19 1.49 0.07 0.00 0.00 179.01 180.58 1xsa h GLU 126 N -0.16 0.77 0.00 1.06 4.81 -1.89 -0.25 114.58 118.92 1xsa h GLU 126 Ca 0.04 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1xsa h GLU 126 Cb 0.21 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1xsa h GLU 126 CO -0.10 0.65 -0.33 0.00 -0.73 0.00 0.00 179.01 178.50 1xsa h ALA 127 N 1.45 1.21 -0.33 2.92 0.00 0.24 -2.91 119.26 121.85 1xsa h ALA 127 Ca 0.18 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1xsa h ALA 127 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xsa h ALA 127 CO -0.01 0.41 -0.35 0.00 0.00 0.00 0.00 179.25 179.29 1xsa h GLN 129 N 0.62 -0.17 -0.39 0.00 -0.00 -1.29 -2.01 115.11 111.87 1xsa h GLN 129 Ca 0.06 0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.77 1xsa h GLN 129 Cb 0.89 0.04 -0.04 0.00 -0.00 0.00 0.00 27.48 28.36 1xsa h GLN 129 CO 0.08 0.29 0.13 -0.07 -0.00 0.00 0.00 178.83 179.26 1xsa h LEU 130 N -0.76 0.14 0.62 0.06 3.38 -1.59 -2.82 115.31 114.33 1xsa h LEU 130 Ca -0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1xsa h LEU 130 Cb 0.54 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xsa h LEU 130 CO 0.03 0.11 -0.34 0.00 0.09 0.00 0.00 178.44 178.33 1xsa h ALA 131 N 1.26 -0.91 0.00 1.53 0.00 -1.36 -3.37 119.26 116.42 1xsa h ALA 131 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsa h ALA 131 Cb 0.17 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xsa h ALA 131 CO -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 178.04 1xsa n GLN 132 N -5.49 0.00 -3.80 0.00 10.64 -0.76 -4.89 117.38 113.09 1xsa n GLN 132 Ca -0.13 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.67 1xsa n GLN 132 Cb 0.38 -3.87 -0.06 0.00 -0.86 0.00 0.00 30.24 25.83 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 -1.48 3.58 0.09 2.61 0.08 -1.26 -4.96 117.98 116.64 1xsa s PHE 133 Ca 0.00 0.55 -0.29 0.00 0.12 0.00 0.00 56.93 57.31 1xsa s PHE 133 Cb 0.00 -2.04 -0.15 0.00 -0.57 0.00 0.00 43.02 40.27 1xsa s PHE 133 CO 0.00 0.63 1.65 -0.22 -0.10 0.00 0.00 175.22 177.18 1xsa h LYS 134 N 5.31 -0.55 -0.48 0.44 3.64 -1.92 1.23 116.57 124.24 1xsa h LYS 134 Ca -0.52 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1xsa h LYS 134 Cb 1.21 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1xsa h LYS 134 CO 0.62 -0.36 0.21 0.93 -2.27 0.00 0.00 179.45 178.58 1xsa h GLU 135 N -0.57 0.67 0.05 1.90 5.08 -1.95 0.54 114.58 120.30 1xsa h GLU 135 Ca -0.03 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xsa h GLU 135 Cb 0.48 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1xsa h GLU 135 CO 0.02 0.54 -0.02 1.98 -1.00 0.00 0.00 179.01 180.52 1xsa h MET 136 N 0.67 -0.06 -0.57 2.33 4.05 -1.73 0.82 114.93 120.44 1xsa h MET 136 Ca 0.17 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.64 1xsa h MET 136 Cb 0.10 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 1xsa h MET 136 CO -0.02 0.35 0.30 0.87 0.23 0.00 0.00 176.91 178.63 1xsa h LYS 137 N -0.48 0.55 -0.19 0.39 1.57 0.19 0.98 116.57 119.59 1xsa h LYS 137 Ca -0.01 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1xsa h LYS 137 Cb 0.43 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1xsa h LYS 137 CO 0.01 0.37 -0.38 0.00 -0.57 0.00 0.00 179.45 178.87 1xsa h ALA 138 N 1.30 0.99 -0.72 3.86 0.00 -0.83 0.13 119.26 123.99 1xsa h ALA 138 Ca 0.25 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xsa h ALA 138 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xsa h ALA 138 CO -0.16 0.61 0.46 0.00 0.00 0.00 0.00 179.25 180.15 1xsa h ALA 139 N 1.24 0.93 -0.09 0.00 0.00 0.26 2.21 119.26 123.81 1xsa h ALA 139 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xsa h ALA 139 Cb 0.84 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xsa h ALA 139 CO 0.07 0.26 -0.41 -0.07 0.00 0.00 0.00 179.25 179.10 1xsa h LEU 140 N 0.90 0.52 -0.11 0.00 3.38 -0.57 0.15 115.31 119.59 1xsa h LEU 140 Ca 0.28 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1xsa h LEU 140 Cb -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1xsa h LEU 140 CO -0.09 1.07 0.02 -0.61 0.09 0.00 0.00 178.44 178.92 1xsa h GLN 141 N -0.00 0.18 -0.35 1.13 4.15 -0.23 0.30 115.11 120.29 1xsa h GLN 141 Ca -0.03 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 1xsa h GLN 141 Cb 1.06 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1xsa h GLN 141 CO 0.09 0.38 -0.15 0.93 -1.93 0.00 0.00 178.83 178.14 1xsa h GLU 142 N -0.04 0.62 -0.69 1.69 4.39 0.36 -1.27 114.58 119.64 1xsa h GLU 142 Ca 0.03 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1xsa h GLU 142 Cb 0.28 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1xsa h GLU 142 CO 0.00 0.75 0.36 0.78 -1.16 0.00 0.00 179.01 179.75 1xsa h GLY 143 N 0.97 1.04 1.40 -3.84 0.00 -0.38 -2.04 103.07 100.22 1xsa h GLY 143 Ca 0.09 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1xsa h GLY 143 CO 0.04 0.46 -0.20 0.45 0.00 0.00 0.00 176.54 177.29 1xsa h HIS 144 N 0.95 0.78 -0.24 5.60 3.86 -0.52 -2.98 115.15 122.60 1xsa h HIS 144 Ca 0.24 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1xsa h HIS 144 Cb 0.06 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 1xsa h HIS 144 CO -0.00 0.84 -0.01 0.37 0.86 0.00 0.00 177.93 179.99 1xsa h GLN 145 N 0.62 0.06 -0.44 2.45 4.15 -0.54 -2.13 115.11 119.28 1xsa h GLN 145 Ca 0.09 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1xsa h GLN 145 Cb 0.68 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1xsa h GLN 145 CO 0.05 0.04 0.26 0.35 -1.93 0.00 0.00 178.83 177.60 1xsa h PHE 146 N 0.06 0.59 -0.80 3.99 3.04 -1.36 -2.21 116.94 120.26 1xsa h PHE 146 Ca 0.11 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.17 1xsa h PHE 146 Cb 0.15 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 38.41 1xsa h PHE 146 CO -0.20 0.43 0.52 -0.07 -2.02 0.00 0.00 178.31 176.97 1xsa h LEU 147 N 0.58 0.62 -1.73 0.59 3.38 -1.31 0.19 115.31 117.63 1xsa h LEU 147 Ca 0.16 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.43 1xsa h LEU 147 Cb 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1xsa h LEU 147 CO -0.03 0.36 0.71 0.00 0.09 0.00 0.00 178.44 179.57 1xsa n SER 149 N -4.39 1.45 0.00 0.00 2.88 0.68 -4.26 113.62 109.99 1xsa n SER 149 Ca 0.23 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 1xsa n SER 149 Cb 1.00 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1xsa n SER 149 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsa n ILE 150 N 0.23 0.00 1.08 2.46 3.06 0.98 -4.91 119.36 122.26 1xsa n ILE 150 Ca 0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 1xsa n ILE 150 Cb 0.24 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.42 1xsa n ILE 150 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1xsa n GLU 151 N 0.00 0.72 -0.00 9.51 1.02 -1.26 -3.27 120.64 127.36 1xsa n GLU 151 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1xsa n GLU 151 Cb 0.00 -1.18 0.24 0.00 -0.02 0.00 0.00 31.44 30.48 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 2.08 1.22 -0.02 0.62 0.00 -1.79 -3.51 119.26 117.86 1xsa h ALA 152 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xsa h ALA 152 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xsa h ALA 152 CO 0.00 0.50 0.00 -0.11 0.00 0.00 0.00 179.25 179.64