#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 0.01 -6.73 1.61 0.13 -2.02 -3.44 132.00 121.55 1xsa h PRO 2 Ca 0.00 -0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.63 1xsa h PRO 2 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1xsa h PRO 2 CO 0.00 0.63 0.17 -0.51 -0.23 0.00 0.00 178.00 178.06 1xsa s LEU 3 N -7.62 4.19 -0.49 1.56 1.02 -1.26 -4.92 118.68 111.17 1xsa s LEU 3 Ca -0.01 1.46 -0.46 0.00 0.02 0.00 0.00 54.13 55.14 1xsa s LEU 3 Cb 0.13 -3.95 -0.20 0.00 0.02 0.00 0.00 46.19 42.19 1xsa s LEU 3 CO 0.76 -0.12 1.69 0.61 0.02 0.00 0.00 176.35 179.31 1xsa n GLY 4 N 0.13 0.17 6.22 -3.19 0.00 -1.26 -4.54 105.19 102.72 1xsa n GLY 4 Ca 0.02 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 4.60 0.00 -2.71 1.61 7.64 -1.26 -4.63 113.62 118.87 1xsa n SER 5 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1xsa n SER 5 Cb -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.00 -1.35 -3.30 1.43 0.00 -1.26 -4.83 117.12 107.80 1xsa n MET 6 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1xsa n MET 6 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 1xsa n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xsa s ALA 7 N -2.61 3.52 0.04 3.04 0.00 -1.26 -4.98 121.76 119.51 1xsa s ALA 7 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1xsa s ALA 7 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1xsa s ALA 7 CO 0.00 0.43 0.00 1.28 0.00 0.00 0.00 175.76 177.47 1xsa n LEU 8 N 0.44 0.08 -4.10 0.00 4.77 -1.26 -4.95 117.00 111.98 1xsa n LEU 8 Ca -0.02 0.07 -0.32 0.00 -0.03 0.00 0.00 56.01 55.70 1xsa n LEU 8 Cb 0.52 0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 1xsa n LEU 8 CO 0.43 -0.56 -0.52 -0.60 -1.33 0.00 0.00 177.39 174.82 1xsa s ARG 9 N -1.20 2.80 0.43 3.23 3.52 -1.26 0.13 118.95 126.60 1xsa s ARG 9 Ca 0.00 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 54.88 1xsa s ARG 9 Cb 0.00 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 1xsa s ARG 9 CO 0.00 -0.23 0.38 0.00 -0.81 0.00 0.00 175.30 174.64 1xsa s ALA 10 N 1.33 4.07 -0.03 6.12 0.00 0.79 -2.32 121.76 131.72 1xsa s ALA 10 Ca 0.04 -1.87 -0.05 0.00 0.00 0.00 0.00 51.96 50.08 1xsa s ALA 10 Cb -0.13 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1xsa s ALA 10 CO -0.12 -0.24 0.11 0.00 0.00 0.00 0.00 175.76 175.51 1xsa s GLY 12 N -0.41 1.61 -0.13 0.00 0.00 0.53 -2.44 107.32 106.48 1xsa s GLY 12 Ca -0.05 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.04 1xsa s GLY 12 CO 0.00 -1.17 -0.16 1.08 0.00 0.00 0.00 173.10 172.85 1xsa s LEU 13 N -3.24 2.53 -0.99 0.66 1.43 -0.90 -1.74 118.68 116.44 1xsa s LEU 13 Ca 0.34 -0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1xsa s LEU 13 Cb 0.02 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1xsa s LEU 13 CO 0.19 0.16 1.80 -0.63 0.23 0.00 0.00 176.35 178.10 1xsa s ILE 14 N 0.40 3.62 0.06 -0.59 -1.09 1.78 -4.47 121.20 120.91 1xsa s ILE 14 Ca -0.12 -0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 57.37 1xsa s ILE 14 Cb -0.16 -4.42 -0.05 0.00 -1.58 0.00 0.00 42.46 36.25 1xsa s ILE 14 CO 0.06 -1.27 1.02 -0.63 -1.23 0.00 0.00 174.94 172.89 1xsa s ILE 15 N 8.53 4.53 0.00 2.92 1.01 -1.26 -1.80 121.20 135.12 1xsa s ILE 15 Ca 0.63 1.92 -0.13 0.00 0.00 0.00 0.00 60.65 63.06 1xsa s ILE 15 Cb -0.04 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1xsa s ILE 15 CO -0.01 0.21 0.28 0.72 0.00 0.00 0.00 174.94 176.14 1xsa s PHE 16 N 0.62 -0.13 -0.07 3.97 -0.12 -0.79 -1.14 117.98 120.33 1xsa s PHE 16 Ca 0.52 0.13 0.03 0.00 -0.05 0.00 0.00 56.93 57.55 1xsa s PHE 16 Cb -0.24 0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.23 1xsa s PHE 16 CO 0.29 -0.40 -0.15 0.50 -0.05 0.00 0.00 175.22 175.41 1xsa s ARG 17 N -1.64 2.05 -0.14 1.99 3.52 -0.30 -3.39 118.95 121.05 1xsa s ARG 17 Ca -0.12 -0.54 -0.10 0.00 -0.13 0.00 0.00 55.73 54.85 1xsa s ARG 17 Cb -0.04 -1.64 -0.05 0.00 -1.56 0.00 0.00 34.95 31.66 1xsa s ARG 17 CO 0.02 0.08 0.18 -0.98 -0.81 0.00 0.00 175.30 173.79 1xsa s ARG 18 N 0.55 3.81 0.71 5.12 1.70 -1.25 -1.10 118.95 128.49 1xsa s ARG 18 Ca -0.15 -0.07 -0.01 0.00 -0.47 0.00 0.00 55.73 55.02 1xsa s ARG 18 Cb -0.16 -3.29 0.14 0.00 -0.57 0.00 0.00 34.95 31.07 1xsa s ARG 18 CO 0.05 0.56 0.98 0.00 -1.08 0.00 0.00 175.30 175.81 1xsa h LEU 20 N 0.00 0.34 -7.03 0.00 3.38 -1.99 -3.46 115.31 106.55 1xsa h LEU 20 Ca -0.32 0.06 0.13 0.00 0.09 0.00 0.00 57.88 57.84 1xsa h LEU 20 Cb 1.17 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 1xsa h LEU 20 CO 0.34 0.21 0.52 -0.51 0.09 0.00 0.00 178.44 179.09 1xsa s ILE 21 N -6.09 0.00 0.36 1.22 2.07 -1.26 -5.06 121.20 112.45 1xsa s ILE 21 Ca -0.13 -0.03 -0.28 0.00 -1.41 0.00 0.00 60.65 58.80 1xsa s ILE 21 Cb 0.17 -1.05 -0.11 0.00 0.13 0.00 0.00 42.46 41.59 1xsa s ILE 21 CO 0.75 0.00 1.49 -2.84 -1.91 0.00 0.00 174.94 172.43 1xsa s PRO 22 N -3.06 4.12 0.00 3.50 0.02 -1.26 -4.38 135.00 133.93 1xsa s PRO 22 Ca 0.06 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1xsa s PRO 22 Cb -0.01 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1xsa s PRO 22 CO -0.08 -0.54 0.00 1.63 -0.33 0.00 0.00 177.00 177.68 1xsa n LYS 23 N 0.68 0.00 -0.10 5.54 4.01 -1.26 -4.88 118.16 122.15 1xsa n LYS 23 Ca 0.02 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.61 1xsa n LYS 23 Cb 0.39 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.79 1xsa n LYS 23 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1xsa n VAL 24 N 0.00 1.56 -0.95 -0.18 3.14 -1.26 -4.86 118.33 115.78 1xsa n VAL 24 Ca 0.00 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 1xsa n VAL 24 Cb 0.00 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 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 -3.52 0.00 -0.02 6.55 10.43 -1.26 -4.93 116.55 123.79 1xsa n ASP 25 Ca -0.44 -0.43 0.15 0.00 2.57 0.00 0.00 54.79 56.64 1xsa n ASP 25 Cb 0.97 0.00 0.74 0.00 1.84 0.00 0.00 41.12 44.67 1xsa n ASP 25 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1xsa n ASN 26 N 0.00 0.10 -1.80 -2.24 3.02 -1.26 -5.01 115.26 108.07 1xsa n ASN 26 Ca 0.00 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 1xsa n ASN 26 Cb 0.22 -0.21 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 -1.19 -9.44 0.21 6.41 3.02 -1.26 -4.55 115.26 108.45 1xsa n ASN 27 Ca 0.15 1.37 0.15 0.00 -0.03 0.00 0.00 54.58 56.22 1xsa n ASN 27 Cb 0.24 -5.30 0.66 0.00 -0.61 0.00 0.00 39.78 34.77 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 2.25 1.00 -2.96 5.41 0.00 -1.90 -3.42 119.26 119.64 1xsa h ALA 28 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1xsa h ALA 28 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1xsa h ALA 28 CO 0.00 0.00 -0.38 0.42 0.00 0.00 0.00 179.25 179.29 1xsa s ILE 29 N -3.57 5.34 0.11 0.00 -1.09 -1.26 0.27 121.20 120.99 1xsa s ILE 29 Ca 0.01 0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1xsa s ILE 29 Cb 0.09 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1xsa s ILE 29 CO 0.40 0.48 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.89 1xsa s GLU 30 N -0.16 0.89 -0.00 2.79 2.02 -0.26 -4.48 118.70 119.51 1xsa s GLU 30 Ca 0.15 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 53.91 1xsa s GLU 30 Cb -0.13 -0.48 -0.03 0.00 0.10 0.00 0.00 34.13 33.59 1xsa s GLU 30 CO 0.04 0.06 -0.05 -0.06 0.02 0.00 0.00 175.26 175.27 1xsa s PHE 31 N -2.90 2.94 -0.41 1.61 0.08 1.19 -1.14 117.98 119.35 1xsa s PHE 31 Ca 0.09 -0.00 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 1xsa s PHE 31 Cb 0.00 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1xsa s PHE 31 CO -0.01 0.40 0.28 -1.17 -0.10 0.00 0.00 175.22 174.62 1xsa s LEU 32 N -1.42 5.05 0.22 -0.37 2.96 -0.29 -1.49 118.68 123.34 1xsa s LEU 32 Ca 0.17 -0.97 0.09 0.00 -0.22 0.00 0.00 54.13 53.20 1xsa s LEU 32 Cb -0.11 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1xsa s LEU 32 CO 0.08 -0.45 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.87 1xsa s LEU 33 N 1.64 3.17 -0.04 -0.68 1.43 -1.15 -4.57 118.68 118.48 1xsa s LEU 33 Ca 0.04 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1xsa s LEU 33 Cb -0.19 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1xsa s LEU 33 CO 0.09 0.05 -0.25 -0.76 0.23 0.00 0.00 176.35 175.70 1xsa s LEU 34 N -3.30 2.06 -0.37 1.79 1.43 0.28 -2.74 118.68 117.84 1xsa s LEU 34 Ca 0.29 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1xsa s LEU 34 Cb -0.08 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 44.83 1xsa s LEU 34 CO 0.18 0.28 0.17 -1.58 0.23 0.00 0.00 176.35 175.63 1xsa s GLN 35 N -0.37 2.71 0.27 1.70 0.74 -0.30 0.47 119.66 124.89 1xsa s GLN 35 Ca 0.03 -1.16 -0.30 0.00 0.05 0.00 0.00 55.36 53.98 1xsa s GLN 35 Cb -0.12 -3.63 -0.10 0.00 1.10 0.00 0.00 33.01 30.26 1xsa s GLN 35 CO 0.02 -0.72 1.44 0.00 -0.55 0.00 0.00 175.29 175.48 1xsa s ALA 36 N 1.48 3.62 -0.56 1.58 0.00 -0.92 -3.17 121.76 123.79 1xsa s ALA 36 Ca 0.01 1.36 0.24 0.00 0.00 0.00 0.00 51.96 53.56 1xsa s ALA 36 Cb -0.20 -3.56 0.20 0.00 0.00 0.00 0.00 23.12 19.57 1xsa s ALA 36 CO 0.05 -0.77 1.19 0.45 0.00 0.00 0.00 175.76 176.67 1xsa n SER 37 N 2.02 0.69 -4.49 0.00 2.88 -1.26 -3.42 113.62 110.05 1xsa n SER 37 Ca 0.06 0.06 -0.41 0.00 -1.33 0.00 0.00 58.87 57.25 1xsa n SER 37 Cb 0.40 0.39 -0.11 0.00 -0.75 0.00 0.00 64.21 64.15 1xsa n SER 37 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xsa s ASP 38 N -4.33 5.96 0.00 -3.46 2.15 -1.26 -4.71 116.67 111.02 1xsa s ASP 38 Ca 0.04 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1xsa s ASP 38 Cb 0.13 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 1xsa s ASP 38 CO 0.76 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 176.08 1xsa n GLY 39 N 5.09 1.09 0.00 2.66 0.00 -1.26 -4.76 105.19 108.01 1xsa n GLY 39 Ca -0.12 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.03 -2.04 -0.61 -6.64 -1.26 -5.04 119.36 103.80 1xsa n ILE 40 Ca 0.00 -0.04 -0.02 0.00 -1.77 0.00 0.00 62.75 60.92 1xsa n ILE 40 Cb 0.00 1.35 0.01 0.00 -1.44 0.00 0.00 39.64 39.56 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 -0.02 -0.94 -4.32 4.28 8.25 -1.22 -5.05 115.22 116.20 1xsa n HIS 41 Ca 0.00 0.35 -0.32 0.00 -0.26 0.00 0.00 57.72 57.48 1xsa n HIS 41 Cb 0.39 -2.59 -0.09 0.00 1.12 0.00 0.00 29.99 28.82 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 -3.04 3.03 0.05 4.41 -3.43 -1.25 -4.88 115.29 110.17 1xsa s HIS 42 Ca 0.05 0.05 -0.18 0.00 -0.80 0.00 0.00 55.06 54.18 1xsa s HIS 42 Cb -0.01 -1.65 -0.06 0.00 -1.43 0.00 0.00 32.58 29.43 1xsa s HIS 42 CO 0.25 0.44 0.52 -1.58 -2.00 0.00 0.00 174.74 172.37 1xsa s TRP 43 N -1.07 3.78 -0.16 0.38 0.52 -1.26 -2.15 118.94 118.98 1xsa s TRP 43 Ca 0.19 1.19 -0.29 0.00 0.02 0.00 0.00 56.10 57.21 1xsa s TRP 43 Cb -0.11 -2.43 0.12 0.00 -1.15 0.00 0.00 33.47 29.89 1xsa s TRP 43 CO 0.10 0.61 0.95 -0.08 0.02 0.00 0.00 176.95 178.54 1xsa s THR 44 N -1.10 0.00 0.75 2.01 -1.32 0.18 -4.60 115.64 111.55 1xsa s THR 44 Ca 0.27 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.65 1xsa s THR 44 Cb -0.19 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1xsa s THR 44 CO 0.17 0.00 1.08 -2.16 -2.21 0.00 0.00 174.62 171.50 1xsa s PRO 45 N -0.90 2.44 -0.22 7.08 0.04 -1.26 0.10 135.00 142.29 1xsa s PRO 45 Ca -0.02 0.94 -0.34 0.00 0.04 0.00 0.00 61.00 61.62 1xsa s PRO 45 Cb -0.01 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1xsa s PRO 45 CO 0.02 -1.45 2.04 -2.30 0.04 0.00 0.00 177.00 175.35 1xsa n PRO 46 N -3.36 1.69 -3.64 0.56 -0.01 -1.26 -4.81 135.00 124.16 1xsa n PRO 46 Ca 0.08 0.55 -0.06 0.00 -0.01 0.00 0.00 63.50 64.06 1xsa n PRO 46 Cb 0.54 -2.65 -0.07 0.00 -0.01 0.00 0.00 33.50 31.31 1xsa n PRO 46 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 175.50 173.90 1xsa s LYS 47 N 5.20 0.61 0.16 -0.52 -2.85 -1.26 -2.12 119.74 118.96 1xsa s LYS 47 Ca 1.00 1.00 0.06 0.00 -1.00 0.00 0.00 55.97 57.03 1xsa s LYS 47 Cb -0.71 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.16 1xsa s LYS 47 CO 0.49 -0.12 -0.13 0.20 0.10 0.00 0.00 175.35 175.89 1xsa s GLY 48 N 1.36 1.21 0.91 0.59 0.00 -1.02 -4.91 107.32 105.46 1xsa s GLY 48 Ca -0.08 -1.52 -0.10 0.00 0.00 0.00 0.00 44.72 43.02 1xsa s GLY 48 CO -0.16 -1.61 1.13 -1.58 0.00 0.00 0.00 173.10 170.88 1xsa s HIS 49 N -2.97 1.71 -0.17 1.90 2.46 -1.26 -2.05 115.29 114.91 1xsa s HIS 49 Ca 0.17 1.73 -0.13 0.00 0.47 0.00 0.00 55.06 57.30 1xsa s HIS 49 Cb -0.00 -3.30 -0.05 0.00 -0.13 0.00 0.00 32.58 29.11 1xsa s HIS 49 CO 0.03 -2.77 0.27 0.54 -2.47 0.00 0.00 174.74 170.34 1xsa s VAL 50 N -2.67 5.32 0.17 0.89 0.11 -0.98 -4.76 120.40 118.48 1xsa s VAL 50 Ca 0.66 0.49 -0.03 0.00 -2.93 0.00 0.00 61.98 60.17 1xsa s VAL 50 Cb -0.22 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1xsa s VAL 50 CO 0.58 0.39 0.39 -1.61 -3.33 0.00 0.00 175.10 171.52 1xsa s GLU 51 N 0.52 3.59 0.00 1.54 2.02 -1.26 -4.70 118.70 120.40 1xsa s GLU 51 Ca 0.15 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.98 1xsa s GLU 51 Cb -0.13 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1xsa s GLU 51 CO 0.03 0.43 0.26 -0.35 0.02 0.00 0.00 175.26 175.65 1xsa n PRO 52 N -0.23 0.00 -0.03 0.39 -0.04 -1.26 -1.13 135.00 132.70 1xsa n PRO 52 Ca -0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1xsa n PRO 52 Cb 0.52 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.74 -0.35 3.98 0.55 0.00 -1.26 -5.03 105.19 102.34 1xsa n GLY 53 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.21 3.12 0.66 1.61 -1.05 -0.28 -5.11 118.70 115.43 1xsa s GLU 54 Ca -0.03 -0.87 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 1xsa s GLU 54 Cb 0.02 -2.76 0.09 0.00 -0.44 0.00 0.00 34.13 31.05 1xsa s GLU 54 CO 0.30 -0.00 0.91 0.34 0.95 0.00 0.00 175.26 177.76 1xsa s ASP 55 N -4.18 4.69 0.03 0.83 3.68 -1.26 -4.56 116.67 115.90 1xsa s ASP 55 Ca 0.45 -0.27 -0.29 0.00 2.13 0.00 0.00 52.55 54.57 1xsa s ASP 55 Cb -0.10 -0.28 -0.16 0.00 -1.45 0.00 0.00 42.92 40.93 1xsa s ASP 55 CO 0.33 -1.61 1.28 0.44 0.13 0.00 0.00 175.17 175.74 1xsa h ASP 56 N -0.30 -0.89 -0.51 -0.34 3.32 -1.97 0.34 116.42 116.06 1xsa h ASP 56 Ca -0.38 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 1xsa h ASP 56 Cb 1.28 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 41.04 1xsa h ASP 56 CO 0.44 -0.56 -0.12 0.25 -1.72 0.00 0.00 179.24 177.53 1xsa h LEU 57 N -1.20 0.98 -1.56 1.55 5.85 -1.95 -1.73 115.31 117.25 1xsa h LEU 57 Ca -0.11 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.37 1xsa h LEU 57 Cb 0.81 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1xsa h LEU 57 CO 0.18 1.11 0.46 -0.33 -0.34 0.00 0.00 178.44 179.52 1xsa h GLU 58 N 0.84 0.47 -0.45 1.25 4.39 -1.94 0.86 114.58 120.00 1xsa h GLU 58 Ca 0.13 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1xsa h GLU 58 Cb 0.68 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1xsa h GLU 58 CO 0.05 0.31 -0.05 1.15 -1.16 0.00 0.00 179.01 179.31 1xsa h THR 59 N 0.48 1.27 -0.45 1.13 2.02 0.50 0.85 112.91 118.71 1xsa h THR 59 Ca 0.32 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1xsa h THR 59 Cb 0.61 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1xsa h THR 59 CO -0.10 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.32 1xsa h ALA 60 N 0.89 0.59 -0.58 6.16 0.00 0.61 0.64 119.26 127.56 1xsa h ALA 60 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xsa h ALA 60 Cb 0.57 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1xsa h ALA 60 CO 0.03 0.25 0.22 -0.07 0.00 0.00 0.00 179.25 179.68 1xsa h LEU 61 N 0.59 0.79 -0.01 0.00 3.38 0.85 1.05 115.31 121.96 1xsa h LEU 61 Ca 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsa h LEU 61 Cb 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xsa h LEU 61 CO -0.00 0.72 0.00 -0.09 0.09 0.00 0.00 178.44 179.15 1xsa h ARG 62 N 0.84 0.01 -0.49 1.13 2.43 0.18 -0.58 114.38 117.91 1xsa h ARG 62 Ca 0.20 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1xsa h ARG 62 Cb 0.19 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1xsa h ARG 62 CO -0.02 0.26 -0.15 0.00 -1.51 0.00 0.00 179.97 178.56 1xsa h ALA 63 N 0.75 0.68 -0.65 2.80 0.00 0.70 0.43 119.26 123.99 1xsa h ALA 63 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.63 1xsa h ALA 63 Cb 0.26 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1xsa h ALA 63 CO 0.00 0.62 0.31 1.15 0.00 0.00 0.00 179.25 181.33 1xsa h THR 64 N 0.83 0.87 -0.04 0.00 2.02 0.13 4.30 112.91 121.01 1xsa h THR 64 Ca 0.12 -0.19 -0.26 0.00 0.77 0.00 0.00 66.41 66.85 1xsa h THR 64 Cb 0.71 0.27 0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1xsa h THR 64 CO 0.05 0.10 -0.98 -0.61 0.37 0.00 0.00 175.52 174.45 1xsa h GLN 65 N 0.55 0.73 0.06 6.66 4.15 -0.13 -1.90 115.11 125.24 1xsa h GLN 65 Ca 0.31 -0.74 -0.14 0.00 0.77 0.00 0.00 58.65 58.85 1xsa h GLN 65 Cb 0.30 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xsa h GLN 65 CO -0.24 1.32 -0.68 1.49 -1.93 0.00 0.00 178.83 178.78 1xsa h GLU 66 N 0.44 0.12 -0.53 1.69 4.81 0.74 0.19 114.58 122.04 1xsa h GLU 66 Ca -0.11 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1xsa h GLU 66 Cb 1.63 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.07 1xsa h GLU 66 CO 0.20 1.10 -0.12 0.93 -0.73 0.00 0.00 179.01 180.39 1xsa h GLU 67 N -0.70 1.01 0.00 1.92 4.39 0.82 -2.75 114.58 119.26 1xsa h GLU 67 Ca -0.15 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1xsa h GLU 67 Cb 1.36 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1xsa h GLU 67 CO 0.02 1.06 -1.10 0.00 -1.16 0.00 0.00 179.01 177.83 1xsa n ALA 68 N -2.50 2.50 -0.50 3.43 0.00 -1.01 -4.28 120.51 118.15 1xsa n ALA 68 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xsa n ALA 68 Cb 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 1.81 0.72 3.48 0.00 0.00 0.18 0.25 105.19 111.62 1xsa n GLY 69 Ca -0.01 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 4.36 0.53 -0.61 1.01 -0.75 -4.22 121.20 119.52 1xsa s ILE 70 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1xsa s ILE 70 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1xsa s ILE 70 CO 0.00 0.37 0.85 -1.83 0.00 0.00 0.00 174.94 174.33 1xsa s GLU 71 N 1.32 3.47 0.53 2.79 -1.05 -1.26 -1.63 118.70 122.87 1xsa s GLU 71 Ca 0.05 0.29 0.29 0.00 -0.15 0.00 0.00 54.97 55.45 1xsa s GLU 71 Cb -0.15 -2.30 1.47 0.00 -0.44 0.00 0.00 34.13 32.72 1xsa s GLU 71 CO 0.03 -0.35 2.06 0.00 0.95 0.00 0.00 175.26 177.95 1xsa h ALA 72 N 0.05 1.20 -0.85 -0.84 0.00 -1.87 -2.51 119.26 114.45 1xsa h ALA 72 Ca -0.46 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.52 1xsa h ALA 72 Cb 1.21 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1xsa h ALA 72 CO 0.62 0.14 0.56 0.78 0.00 0.00 0.00 179.25 181.34 1xsa h GLY 73 N 1.02 0.90 -1.93 0.00 0.00 -2.01 0.18 103.07 101.24 1xsa h GLY 73 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1xsa h GLY 73 CO 0.01 0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.20 1xsa n GLN 74 N -4.52 2.30 -4.66 4.80 10.64 -0.95 -4.91 117.38 120.08 1xsa n GLN 74 Ca 0.17 -1.93 -0.32 0.00 -1.83 0.00 0.00 57.00 53.09 1xsa n GLN 74 Cb 0.59 -1.46 -0.12 0.00 -0.86 0.00 0.00 30.24 28.39 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 -1.95 2.89 -0.25 2.61 1.43 0.64 -1.39 118.68 122.66 1xsa s LEU 75 Ca 0.28 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1xsa s LEU 75 Cb 0.20 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.80 1xsa s LEU 75 CO 0.30 0.30 -0.06 -0.89 0.23 0.00 0.00 176.35 176.23 1xsa s THR 76 N -0.88 2.84 -0.45 5.49 2.01 -0.82 -4.80 115.64 119.03 1xsa s THR 76 Ca 0.14 -1.10 -0.28 0.00 0.31 0.00 0.00 61.69 60.76 1xsa s THR 76 Cb -0.11 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1xsa s THR 76 CO 0.04 0.15 1.66 -0.63 -0.69 0.00 0.00 174.62 175.15 1xsa s ILE 77 N 1.30 3.60 0.53 1.82 -1.09 -1.26 -2.48 121.20 123.62 1xsa s ILE 77 Ca -0.01 0.56 0.26 0.00 -2.23 0.00 0.00 60.65 59.23 1xsa s ILE 77 Cb -0.17 -3.97 0.31 0.00 -1.58 0.00 0.00 42.46 37.05 1xsa s ILE 77 CO -0.04 -0.73 2.18 0.40 -1.23 0.00 0.00 174.94 175.52 1xsa h ILE 78 N 6.67 0.65 0.00 2.92 5.03 -1.50 -3.46 117.51 127.82 1xsa h ILE 78 Ca -0.29 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1xsa h ILE 78 Cb 1.14 1.11 0.00 0.00 -3.03 0.00 0.00 36.82 36.04 1xsa h ILE 78 CO 1.11 0.05 0.00 -0.62 -0.68 0.00 0.00 178.15 178.00 1xsa n GLU 79 N -3.92 0.00 0.00 2.37 1.02 -1.23 -4.69 120.64 114.19 1xsa n GLU 79 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1xsa n GLU 79 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 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 3.48 0.62 0.00 -1.26 -4.43 105.19 103.60 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 3.16 -0.24 1.61 2.19 -1.26 -5.03 117.98 118.40 1xsa s PHE 81 Ca 0.00 -0.33 -0.03 0.00 0.33 0.00 0.00 56.93 56.90 1xsa s PHE 81 Cb 0.00 -2.33 0.13 0.00 -1.31 0.00 0.00 43.02 39.51 1xsa s PHE 81 CO 0.00 -0.34 0.39 0.21 1.83 0.00 0.00 175.22 177.31 1xsa s LYS 82 N 1.66 0.35 0.18 10.12 2.36 -1.26 -3.89 119.74 129.26 1xsa s LYS 82 Ca 0.06 0.61 -0.06 0.00 -2.55 0.00 0.00 55.97 54.02 1xsa s LYS 82 Cb -0.16 -0.35 -0.02 0.00 -1.05 0.00 0.00 37.83 36.25 1xsa s LYS 82 CO 0.07 -0.60 0.23 1.03 1.55 0.00 0.00 175.35 177.63 1xsa s ARG 83 N 2.57 1.18 -0.59 4.03 1.81 -1.25 -5.02 118.95 121.66 1xsa s ARG 83 Ca 0.12 -1.33 -0.25 0.00 -1.72 0.00 0.00 55.73 52.54 1xsa s ARG 83 Cb -0.15 0.34 0.04 0.00 -0.45 0.00 0.00 34.95 34.73 1xsa s ARG 83 CO -0.16 -0.42 1.05 -1.21 -0.68 0.00 0.00 175.30 173.89 1xsa s GLU 84 N -4.03 3.34 0.06 3.54 8.01 -1.26 -2.71 118.70 125.65 1xsa s GLU 84 Ca 0.24 -0.18 -0.31 0.00 0.01 0.00 0.00 54.97 54.73 1xsa s GLU 84 Cb 0.04 -4.08 -0.06 0.00 -4.31 0.00 0.00 34.13 25.73 1xsa s GLU 84 CO 0.04 -1.65 1.25 -1.17 0.01 0.00 0.00 175.26 173.75 1xsa s LEU 85 N 4.43 4.36 -0.07 1.80 2.96 5.21 -4.70 118.68 132.68 1xsa s LEU 85 Ca 0.33 2.08 0.02 0.00 -0.22 0.00 0.00 54.13 56.34 1xsa s LEU 85 Cb -0.11 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1xsa s LEU 85 CO 0.19 -0.53 -0.10 0.20 -1.32 0.00 0.00 176.35 174.80 1xsa s ASN 86 N 1.13 1.63 0.12 3.68 0.02 -1.26 0.18 114.94 120.45 1xsa s ASN 86 Ca 0.60 -0.26 -0.07 0.00 -1.02 0.00 0.00 52.86 52.12 1xsa s ASN 86 Cb -0.31 -0.73 -0.01 0.00 0.02 0.00 0.00 41.25 40.21 1xsa s ASN 86 CO 0.29 -0.01 0.19 -0.72 0.02 0.00 0.00 177.10 176.87 1xsa s TYR 87 N 0.89 0.38 -1.24 2.20 1.13 -1.26 -4.78 117.35 114.67 1xsa s TYR 87 Ca -0.11 -0.79 0.15 0.00 -1.41 0.00 0.00 57.07 54.91 1xsa s TYR 87 Cb -0.15 -0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1xsa s TYR 87 CO 0.01 -0.59 0.77 1.33 -2.51 0.00 0.00 175.55 174.56 1xsa n VAL 88 N -0.11 0.00 0.00 -3.49 0.24 -1.25 -3.71 118.33 110.01 1xsa n VAL 88 Ca -0.11 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1xsa n VAL 88 Cb 0.63 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 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 -0.32 0.00 -0.28 2.33 0.00 -1.26 0.35 120.51 121.32 1xsa n ALA 89 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1xsa n ALA 89 Cb 0.29 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.87 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 1.15 0.00 0.00 3.08 -2.07 -3.43 114.38 113.11 1xsa h ARG 90 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1xsa h ARG 90 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1xsa h ARG 90 CO 0.00 0.86 0.00 0.27 -1.07 0.00 0.00 179.97 180.03 1xsa n ASN 91 N -4.33 0.00 -4.04 7.04 0.23 1.06 -5.12 115.26 110.10 1xsa n ASN 91 Ca 0.08 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.82 1xsa n ASN 91 Cb 0.11 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.67 1xsa n ASN 91 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xsa s LYS 92 N 0.00 1.64 0.00 -3.83 -0.14 0.12 -4.96 119.74 112.58 1xsa s LYS 92 Ca 0.00 -1.80 0.00 0.00 -1.36 0.00 0.00 55.97 52.81 1xsa s LYS 92 Cb 0.00 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.94 1xsa s LYS 92 CO 0.00 -0.91 0.60 -0.35 -0.76 0.00 0.00 175.35 173.93 1xsa n PRO 93 N 4.32 0.68 -0.94 -1.68 -0.04 -1.24 -3.86 135.00 132.23 1xsa n PRO 93 Ca 0.01 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 1xsa n PRO 93 Cb 0.42 -1.08 0.06 0.00 -0.04 0.00 0.00 33.50 32.86 1xsa n PRO 93 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1xsa n LYS 94 N -0.34 -0.24 -3.79 0.54 2.85 -1.26 -4.59 118.16 111.32 1xsa n LYS 94 Ca 0.00 -0.06 -0.32 0.00 -1.05 0.00 0.00 58.31 56.88 1xsa n LYS 94 Cb 0.04 -1.18 -0.04 0.00 -0.65 0.00 0.00 35.03 33.20 1xsa n LYS 94 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xsa s THR 95 N -2.07 5.28 -0.01 0.58 2.01 0.12 -4.08 115.64 117.47 1xsa s THR 95 Ca 0.42 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1xsa s THR 95 Cb -0.05 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1xsa s THR 95 CO 0.72 0.13 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.08 1xsa s VAL 96 N -1.54 0.17 -0.13 3.82 1.01 0.49 0.28 120.40 124.48 1xsa s VAL 96 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1xsa s VAL 96 Cb -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1xsa s VAL 96 CO 0.25 0.09 -0.05 -0.63 0.00 0.00 0.00 175.10 174.76 1xsa s ILE 97 N 0.42 3.83 -0.13 2.22 1.01 0.12 0.88 121.20 129.56 1xsa s ILE 97 Ca -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1xsa s ILE 97 Cb -0.07 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1xsa s ILE 97 CO -0.01 0.52 -0.16 -0.31 0.00 0.00 0.00 174.94 174.99 1xsa s TYR 98 N 0.05 2.75 0.23 3.97 1.51 -1.10 0.20 117.35 124.96 1xsa s TYR 98 Ca -0.00 -0.78 0.10 0.00 -1.01 0.00 0.00 57.07 55.38 1xsa s TYR 98 Cb -0.13 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1xsa s TYR 98 CO 0.03 -0.29 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.49 1xsa s TRP 99 N 0.41 2.53 0.02 2.71 0.51 -0.71 -3.92 118.94 120.49 1xsa s TRP 99 Ca -0.12 -0.26 -0.22 0.00 -2.12 0.00 0.00 56.10 53.38 1xsa s TRP 99 Cb -0.16 -1.17 -0.05 0.00 -0.81 0.00 0.00 33.47 31.27 1xsa s TRP 99 CO 0.06 0.59 0.66 -0.51 -0.51 0.00 0.00 176.95 177.24 1xsa s LEU 100 N -3.24 4.43 -0.02 2.99 1.43 -1.25 0.48 118.68 123.50 1xsa s LEU 100 Ca 0.28 1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 1xsa s LEU 100 Cb -0.07 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.12 1xsa s LEU 100 CO 0.16 0.07 0.13 0.00 0.23 0.00 0.00 176.35 176.95 1xsa s ALA 101 N -0.17 -0.32 -0.04 4.21 0.00 -0.75 -1.17 121.76 123.52 1xsa s ALA 101 Ca 0.34 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1xsa s ALA 101 Cb -0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1xsa s ALA 101 CO 0.19 -0.15 -0.19 -2.00 0.00 0.00 0.00 175.76 173.62 1xsa s GLU 102 N -0.77 1.88 -0.39 0.00 2.12 -1.04 -1.88 118.70 118.62 1xsa s GLU 102 Ca -0.09 -0.66 -0.24 0.00 0.36 0.00 0.00 54.97 54.35 1xsa s GLU 102 Cb -0.05 -1.64 0.01 0.00 0.26 0.00 0.00 34.13 32.72 1xsa s GLU 102 CO 0.01 0.28 0.81 0.14 -0.54 0.00 0.00 175.26 175.96 1xsa s VAL 103 N -0.03 4.68 -1.30 3.70 -7.23 -1.22 -1.95 120.40 117.04 1xsa s VAL 103 Ca -0.03 0.81 0.14 0.00 -1.81 0.00 0.00 61.98 61.09 1xsa s VAL 103 Cb -0.11 -4.27 0.21 0.00 0.56 0.00 0.00 36.38 32.77 1xsa s VAL 103 CO 0.02 -0.54 1.41 2.29 -0.31 0.00 0.00 175.10 177.97 1xsa n LYS 104 N 6.59 0.14 -3.42 4.82 2.85 -0.48 -4.20 118.16 124.46 1xsa n LYS 104 Ca 0.04 0.18 -0.44 0.00 -1.05 0.00 0.00 58.31 57.04 1xsa n LYS 104 Cb 0.48 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.30 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 -2.70 6.01 0.55 -5.58 1.01 -1.26 -4.90 116.67 109.80 1xsa s ASP 105 Ca 0.12 -1.91 0.24 0.00 0.71 0.00 0.00 52.55 51.70 1xsa s ASP 105 Cb 0.09 -2.12 1.51 0.00 1.01 0.00 0.00 42.92 43.41 1xsa s ASP 105 CO 0.23 -0.77 2.14 0.22 0.21 0.00 0.00 175.17 177.20 1xsa h TYR 106 N 8.61 0.00 -0.63 4.23 3.20 -1.99 0.42 116.97 130.82 1xsa h TYR 106 Ca -0.24 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.46 1xsa h TYR 106 Cb 1.08 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.25 1xsa h TYR 106 CO 0.71 0.00 0.19 -0.25 -1.64 0.00 0.00 178.16 177.17 1xsa n ASP 107 N -4.18 4.51 -4.53 -2.11 8.00 -1.26 -5.01 116.55 111.97 1xsa n ASP 107 Ca 0.00 -3.24 -0.41 0.00 0.71 0.00 0.00 54.79 51.85 1xsa n ASP 107 Cb 0.22 -0.70 0.01 0.00 -0.02 0.00 0.00 41.12 40.63 1xsa n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsa n VAL 108 N -0.28 2.24 -3.37 2.53 3.14 0.14 -4.90 118.33 117.83 1xsa n VAL 108 Ca 0.37 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.82 1xsa n VAL 108 Cb 1.28 -0.84 -0.09 0.00 -1.06 0.00 0.00 33.84 33.13 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 -1.88 3.03 -0.69 1.45 2.56 -1.26 -5.01 118.70 116.90 1xsa s GLU 109 Ca 0.65 -1.01 -0.27 0.00 0.00 0.00 0.00 54.97 54.34 1xsa s GLU 109 Cb -0.56 -4.03 0.00 0.00 2.00 0.00 0.00 34.13 31.55 1xsa s GLU 109 CO 0.56 -0.90 1.57 0.42 -0.56 0.00 0.00 175.26 176.36 1xsa s ILE 110 N 1.91 3.54 -0.24 -3.70 -1.09 -1.26 -4.68 121.20 115.68 1xsa s ILE 110 Ca 0.08 0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 58.61 1xsa s ILE 110 Cb -0.20 -4.44 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 1xsa s ILE 110 CO 0.10 -1.39 0.45 -0.13 -1.23 0.00 0.00 174.94 172.74 1xsa s ARG 111 N 6.37 4.10 -0.44 2.79 0.52 0.68 -4.84 118.95 128.12 1xsa s ARG 111 Ca 0.51 0.24 -0.17 0.00 -0.52 0.00 0.00 55.73 55.79 1xsa s ARG 111 Cb -0.10 -3.61 0.04 0.00 0.52 0.00 0.00 34.95 31.80 1xsa s ARG 111 CO 0.17 -0.23 0.43 -0.51 0.02 0.00 0.00 175.30 175.18 1xsa s LEU 112 N 1.90 5.10 0.90 2.53 1.43 -1.25 0.50 118.68 129.79 1xsa s LEU 112 Ca 0.20 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 1xsa s LEU 112 Cb -0.15 -2.31 0.13 0.00 0.03 0.00 0.00 46.19 43.89 1xsa s LEU 112 CO 0.09 -0.62 1.14 -0.44 0.23 0.00 0.00 176.35 176.75 1xsa s SER 113 N 2.10 3.65 -0.93 2.29 0.01 -1.04 -4.71 113.70 115.08 1xsa s SER 113 Ca 0.09 0.98 -0.22 0.00 1.31 0.00 0.00 55.95 58.11 1xsa s SER 113 Cb -0.19 -1.56 -0.24 0.00 0.21 0.00 0.00 66.02 64.24 1xsa s SER 113 CO 0.11 -2.46 2.34 1.57 0.41 0.00 0.00 173.24 175.20 1xsa n HIS 114 N -3.71 0.35 0.00 2.43 -0.00 -1.26 -2.76 115.22 110.26 1xsa n HIS 114 Ca 0.07 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.48 1xsa n HIS 114 Cb 0.59 -1.63 0.00 0.00 -0.12 0.00 0.00 29.99 28.83 1xsa n HIS 114 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1xsa n GLU 115 N 6.96 0.00 -4.67 1.57 1.02 -1.26 -5.06 120.64 119.21 1xsa n GLU 115 Ca 0.62 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.49 1xsa n GLU 115 Cb 0.06 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.34 1xsa n GLU 115 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xsa s HIS 116 N 0.00 2.01 -0.02 -0.32 3.76 -1.11 -4.27 115.29 115.34 1xsa s HIS 116 Ca 0.00 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1xsa s HIS 116 Cb 0.00 -1.18 0.05 0.00 1.11 0.00 0.00 32.58 32.56 1xsa s HIS 116 CO 0.00 0.13 0.91 1.04 -0.85 0.00 0.00 174.74 175.98 1xsa n GLN 117 N 1.67 1.85 -3.79 1.40 1.13 -1.22 -4.51 117.38 113.91 1xsa n GLN 117 Ca -0.17 -1.42 -0.13 0.00 -1.94 0.00 0.00 57.00 53.33 1xsa n GLN 117 Cb 0.53 -0.94 -0.13 0.00 0.11 0.00 0.00 30.24 29.81 1xsa n GLN 117 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xsa s ALA 118 N -1.02 -0.35 -0.18 -1.58 0.00 -1.19 -4.98 121.76 112.46 1xsa s ALA 118 Ca 0.05 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 1xsa s ALA 118 Cb 0.05 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.89 1xsa s ALA 118 CO 0.00 -0.10 0.45 1.52 0.00 0.00 0.00 175.76 177.63 1xsa s TYR 119 N 0.48 -0.58 0.02 0.00 1.13 -1.26 -1.14 117.35 116.00 1xsa s TYR 119 Ca -0.03 1.31 -0.01 0.00 -1.41 0.00 0.00 57.07 56.92 1xsa s TYR 119 Cb -0.05 0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 41.03 1xsa s TYR 119 CO -0.02 -0.30 -0.01 1.03 -2.51 0.00 0.00 175.55 173.74 1xsa s ARG 120 N 0.84 0.38 -0.43 -3.49 0.52 -1.11 -4.99 118.95 110.68 1xsa s ARG 120 Ca -0.05 -0.68 -0.13 0.00 -0.52 0.00 0.00 55.73 54.35 1xsa s ARG 120 Cb -0.06 0.14 0.06 0.00 0.52 0.00 0.00 34.95 35.61 1xsa s ARG 120 CO -0.07 -0.07 0.31 -1.58 0.02 0.00 0.00 175.30 173.92 1xsa s TRP 121 N -1.86 3.27 0.37 -0.53 0.52 -1.26 -2.96 118.94 116.50 1xsa s TRP 121 Ca -0.12 -1.03 0.04 0.00 0.02 0.00 0.00 56.10 55.00 1xsa s TRP 121 Cb -0.07 -2.89 -0.05 0.00 -1.15 0.00 0.00 33.47 29.32 1xsa s TRP 121 CO -0.02 -0.75 0.08 -0.51 0.02 0.00 0.00 176.95 175.77 1xsa s LEU 122 N 1.58 2.14 0.00 2.99 1.02 -0.56 -4.82 118.68 121.03 1xsa s LEU 122 Ca 0.03 -1.51 -0.11 0.00 0.02 0.00 0.00 54.13 52.56 1xsa s LEU 122 Cb -0.22 -0.33 0.19 0.00 0.02 0.00 0.00 46.19 45.85 1xsa s LEU 122 CO 0.06 -0.74 1.16 0.61 0.02 0.00 0.00 176.35 177.46 1xsa n GLY 123 N -0.82 -0.93 0.17 -3.19 0.00 -1.26 0.37 105.19 99.52 1xsa n GLY 123 Ca -0.05 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 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 0.31 0.22 0.99 5.85 -1.89 0.29 115.31 121.08 1xsa h LEU 124 Ca -0.38 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1xsa h LEU 124 Cb 1.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1xsa h LEU 124 CO 0.29 0.23 -0.11 1.05 -0.34 0.00 0.00 178.44 179.56 1xsa h GLU 125 N 0.41 -0.29 -0.19 1.25 4.11 -1.98 0.43 114.58 118.33 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 0.04 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xsa h GLU 125 CO -0.09 -0.17 -0.10 1.49 0.07 0.00 0.00 179.01 180.21 1xsa h GLU 126 N -0.33 0.30 0.00 1.06 4.81 -1.89 -1.01 114.58 117.52 1xsa h GLU 126 Ca -0.03 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1xsa h GLU 126 Cb 0.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1xsa h GLU 126 CO 0.05 0.41 -0.44 0.00 -0.73 0.00 0.00 179.01 178.31 1xsa h ALA 127 N 1.62 1.00 -0.34 2.92 0.00 0.13 -3.01 119.26 121.58 1xsa h ALA 127 Ca 0.06 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1xsa h ALA 127 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xsa h ALA 127 CO 0.02 0.55 -0.24 0.00 0.00 0.00 0.00 179.25 179.58 1xsa h GLN 129 N 0.53 0.08 -0.60 0.00 -0.00 -1.43 -2.36 115.11 111.33 1xsa h GLN 129 Ca 0.07 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1xsa h GLN 129 Cb 0.80 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.24 1xsa h GLN 129 CO 0.06 0.42 0.39 -0.07 -0.00 0.00 0.00 178.83 179.63 1xsa h LEU 130 N -0.27 0.66 0.65 0.06 3.38 -1.57 -2.98 115.31 115.24 1xsa h LEU 130 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xsa h LEU 130 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xsa h LEU 130 CO 0.00 0.47 -0.47 0.00 0.09 0.00 0.00 178.44 178.53 1xsa h ALA 131 N 1.24 -1.14 0.00 1.53 0.00 -1.26 -3.37 119.26 116.27 1xsa h ALA 131 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xsa h ALA 131 Cb -0.05 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xsa h ALA 131 CO -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 179.25 178.01 1xsa n GLN 132 N -5.58 0.00 -3.74 0.00 10.64 -0.90 -4.84 117.38 112.96 1xsa n GLN 132 Ca -0.13 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.68 1xsa n GLN 132 Cb 0.47 -3.08 -0.07 0.00 -0.86 0.00 0.00 30.24 26.70 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 -2.07 3.51 0.20 2.61 0.08 -1.26 -4.99 117.98 116.06 1xsa s PHE 133 Ca 0.00 0.50 -0.10 0.00 0.12 0.00 0.00 56.93 57.44 1xsa s PHE 133 Cb 0.00 -2.12 0.22 0.00 -0.57 0.00 0.00 43.02 40.55 1xsa s PHE 133 CO 0.00 0.47 1.78 1.57 -0.10 0.00 0.00 175.22 178.95 1xsa h LYS 134 N 5.91 0.54 -0.49 0.44 2.10 -1.95 -0.10 116.57 123.01 1xsa h LYS 134 Ca -0.47 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.11 1xsa h LYS 134 Cb 1.19 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.37 1xsa h LYS 134 CO 0.68 0.36 0.15 0.93 -2.00 0.00 0.00 179.45 179.57 1xsa h GLU 135 N 0.56 0.77 -0.31 0.07 4.39 -1.94 -1.80 114.58 116.31 1xsa h GLU 135 Ca 0.28 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1xsa h GLU 135 Cb 0.22 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1xsa h GLU 135 CO -0.20 0.72 0.17 0.52 -1.16 0.00 0.00 179.01 179.06 1xsa h MET 136 N 0.67 0.44 -0.58 2.33 2.86 -1.78 2.41 114.93 121.28 1xsa h MET 136 Ca 0.16 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1xsa h MET 136 Cb 0.28 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1xsa h MET 136 CO -0.00 0.39 0.32 0.87 1.06 0.00 0.00 176.91 179.54 1xsa h LYS 137 N 0.38 0.59 -0.16 1.72 1.57 -0.88 0.44 116.57 120.24 1xsa h LYS 137 Ca 0.11 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1xsa h LYS 137 Cb 0.08 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1xsa h LYS 137 CO -0.02 0.39 -0.54 0.00 -0.57 0.00 0.00 179.45 178.71 1xsa h ALA 138 N 1.30 0.28 -0.72 3.86 0.00 -0.80 0.65 119.26 123.83 1xsa h ALA 138 Ca 0.25 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1xsa h ALA 138 Cb 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1xsa h ALA 138 CO -0.16 0.48 0.42 0.00 0.00 0.00 0.00 179.25 179.99 1xsa h ALA 139 N 0.54 0.97 -0.36 0.00 0.00 0.48 1.98 119.26 122.88 1xsa h ALA 139 Ca -0.02 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1xsa h ALA 139 Cb 1.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xsa h ALA 139 CO 0.11 0.11 -0.41 -0.07 0.00 0.00 0.00 179.25 179.00 1xsa h LEU 140 N 0.77 0.98 -0.01 0.00 3.38 -0.08 0.32 115.31 120.66 1xsa h LEU 140 Ca 0.32 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xsa h LEU 140 Cb 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xsa h LEU 140 CO -0.18 1.26 -0.02 -0.61 0.09 0.00 0.00 178.44 178.99 1xsa h GLN 141 N 0.71 0.04 -0.43 1.13 4.15 0.33 -0.60 115.11 120.43 1xsa h GLN 141 Ca 0.05 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 1xsa h GLN 141 Cb 1.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 1xsa h GLN 141 CO 0.10 0.52 -0.04 0.93 -1.93 0.00 0.00 178.83 178.41 1xsa h GLU 142 N -0.44 0.73 -0.68 1.69 5.08 0.31 -1.94 114.58 119.32 1xsa h GLU 142 Ca 0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1xsa h GLU 142 Cb 0.51 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1xsa h GLU 142 CO 0.00 0.77 0.36 0.78 -1.00 0.00 0.00 179.01 179.92 1xsa h GLY 143 N 0.96 1.04 1.48 -3.84 0.00 -0.27 -1.87 103.07 100.57 1xsa h GLY 143 Ca 0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1xsa h GLY 143 CO 0.02 0.47 0.14 0.45 0.00 0.00 0.00 176.54 177.62 1xsa h HIS 144 N 0.94 0.66 -0.41 5.60 3.86 -0.57 -2.80 115.15 122.44 1xsa h HIS 144 Ca 0.24 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 1xsa h HIS 144 Cb 0.07 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 1xsa h HIS 144 CO -0.00 0.55 0.17 0.37 0.86 0.00 0.00 177.93 179.89 1xsa h GLN 145 N 0.65 0.35 -0.54 2.45 4.15 -0.59 -2.28 115.11 119.30 1xsa h GLN 145 Ca 0.15 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1xsa h GLN 145 Cb 0.20 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1xsa h GLN 145 CO -0.01 0.23 0.28 0.35 -1.93 0.00 0.00 178.83 177.75 1xsa h PHE 146 N 0.36 0.77 -0.98 3.99 3.04 -1.35 -2.44 116.94 120.32 1xsa h PHE 146 Ca 0.18 -0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.22 1xsa h PHE 146 Cb 0.13 -0.24 -0.08 0.00 2.56 0.00 0.00 35.95 38.32 1xsa h PHE 146 CO -0.12 0.58 0.62 -0.07 -2.02 0.00 0.00 178.31 177.30 1xsa h LEU 147 N 0.73 0.89 -2.05 0.59 3.38 -1.29 0.50 115.31 118.06 1xsa h LEU 147 Ca 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1xsa h LEU 147 Cb 0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xsa h LEU 147 CO -0.03 0.48 -0.03 0.00 0.09 0.00 0.00 178.44 178.95 1xsa n SER 149 N -4.33 0.12 -0.13 0.00 7.64 0.17 -4.15 113.62 112.94 1xsa n SER 149 Ca -0.03 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1xsa n SER 149 Cb 0.11 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1xsa n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsa n ILE 150 N -1.26 0.00 0.86 0.44 5.41 0.53 -4.92 119.36 120.42 1xsa n ILE 150 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.93 1xsa n ILE 150 Cb 0.27 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.34 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 1.88 -0.13 0.38 1.02 -1.26 -3.98 120.64 118.55 1xsa n GLU 151 Ca 0.00 -1.19 -0.06 0.00 -0.02 0.00 0.00 57.16 55.90 1xsa n GLU 151 Cb 0.00 -1.33 0.12 0.00 -0.02 0.00 0.00 31.44 30.21 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 3.48 1.02 0.00 0.62 0.00 -1.82 -3.51 119.26 119.05 1xsa h ALA 152 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsa h ALA 152 Cb 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xsa h ALA 152 CO 0.03 0.60 0.00 -0.11 0.00 0.00 0.00 179.25 179.77