#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsa s PRO 2 N 0.00 4.39 0.25 1.61 0.04 -1.26 -5.02 135.00 135.01 1xsa s PRO 2 Ca 0.00 1.88 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 1xsa s PRO 2 Cb 0.00 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1xsa s PRO 2 CO 0.00 -0.32 0.82 -0.51 0.04 0.00 0.00 177.00 177.03 1xsa s LEU 3 N 1.05 4.40 0.00 -3.56 1.43 -1.26 -5.00 118.68 115.75 1xsa s LEU 3 Ca 0.61 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1xsa s LEU 3 Cb -0.32 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1xsa s LEU 3 CO 0.30 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1xsa n GLY 4 N 0.86 1.30 3.45 -3.19 0.00 -1.26 -4.29 105.19 102.06 1xsa n GLY 4 Ca -0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1xsa n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsa n SER 5 N 0.00 -1.64 -1.19 1.61 3.41 -1.26 -4.75 113.62 109.80 1xsa n SER 5 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1xsa n SER 5 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1xsa n SER 5 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1xsa n MET 6 N -4.22 -3.17 -3.42 4.33 2.81 -1.26 -4.88 117.12 107.32 1xsa n MET 6 Ca 0.04 2.44 -0.37 0.00 -1.81 0.00 0.00 57.70 58.00 1xsa n MET 6 Cb 0.55 -3.00 -0.06 0.00 -0.71 0.00 0.00 33.22 30.00 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 -4.77 3.64 0.00 3.04 0.00 -1.26 -4.96 121.76 117.46 1xsa s ALA 7 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1xsa s ALA 7 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1xsa s ALA 7 CO 0.00 0.47 0.00 1.28 0.00 0.00 0.00 175.76 177.51 1xsa n LEU 8 N 1.31 0.00 -4.30 0.00 4.77 -1.26 -5.00 117.00 112.53 1xsa n LEU 8 Ca -0.09 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.54 1xsa n LEU 8 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1xsa n LEU 8 CO 0.41 -0.47 -0.40 0.00 -1.33 0.00 0.00 177.39 175.61 1xsa s ARG 9 N -0.93 3.35 0.44 3.23 1.70 -1.26 -0.27 118.95 125.21 1xsa s ARG 9 Ca 0.00 -0.64 0.07 0.00 -0.47 0.00 0.00 55.73 54.69 1xsa s ARG 9 Cb 0.00 -2.98 -0.03 0.00 -0.57 0.00 0.00 34.95 31.37 1xsa s ARG 9 CO 0.00 -0.20 0.24 0.00 -1.08 0.00 0.00 175.30 174.26 1xsa s ALA 10 N 1.46 3.84 -0.00 7.88 0.00 0.78 -2.02 121.76 133.70 1xsa s ALA 10 Ca 0.06 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.16 1xsa s ALA 10 Cb -0.14 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1xsa s ALA 10 CO -0.04 -0.22 0.05 0.00 0.00 0.00 0.00 175.76 175.56 1xsa s GLY 12 N -0.93 1.32 -0.14 0.00 0.00 0.73 -2.65 107.32 105.65 1xsa s GLY 12 Ca -0.10 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.22 1xsa s GLY 12 CO 0.00 -0.93 -0.17 1.08 0.00 0.00 0.00 173.10 173.08 1xsa s LEU 13 N -3.20 2.43 -0.92 0.66 1.43 -1.09 -1.54 118.68 116.46 1xsa s LEU 13 Ca 0.29 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.68 1xsa s LEU 13 Cb -0.00 -1.54 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 1xsa s LEU 13 CO 0.18 0.11 2.06 -0.63 0.23 0.00 0.00 176.35 178.31 1xsa s ILE 14 N 0.65 3.33 0.05 -0.59 -1.09 1.98 -4.59 121.20 120.95 1xsa s ILE 14 Ca -0.09 -0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 57.69 1xsa s ILE 14 Cb -0.16 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1xsa s ILE 14 CO 0.02 -0.68 1.05 -0.63 -1.23 0.00 0.00 174.94 173.47 1xsa s ILE 15 N 11.74 4.46 0.00 2.92 1.01 -1.26 -1.50 121.20 138.57 1xsa s ILE 15 Ca 0.76 1.84 -0.20 0.00 0.00 0.00 0.00 60.65 63.04 1xsa s ILE 15 Cb -0.07 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.26 1xsa s ILE 15 CO 0.04 0.18 0.45 0.72 0.00 0.00 0.00 174.94 176.33 1xsa s PHE 16 N 0.73 -0.34 -0.06 3.97 -0.12 -0.82 -1.54 117.98 119.80 1xsa s PHE 16 Ca 0.53 0.46 0.03 0.00 -0.05 0.00 0.00 56.93 57.91 1xsa s PHE 16 Cb -0.25 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 1xsa s PHE 16 CO 0.29 -0.52 -0.16 -0.98 -0.05 0.00 0.00 175.22 173.80 1xsa s ARG 17 N -1.79 1.95 -0.15 1.99 1.70 -0.62 -3.05 118.95 118.97 1xsa s ARG 17 Ca -0.09 -0.57 -0.08 0.00 -0.47 0.00 0.00 55.73 54.52 1xsa s ARG 17 Cb -0.02 -1.61 -0.04 0.00 -0.57 0.00 0.00 34.95 32.71 1xsa s ARG 17 CO 0.03 0.15 0.11 -0.98 -1.08 0.00 0.00 175.30 173.53 1xsa s ARG 18 N 0.33 3.71 0.79 3.89 1.70 -1.25 -1.40 118.95 126.71 1xsa s ARG 18 Ca -0.10 -0.21 -0.07 0.00 -0.47 0.00 0.00 55.73 54.88 1xsa s ARG 18 Cb -0.14 -3.23 0.17 0.00 -0.57 0.00 0.00 34.95 31.17 1xsa s ARG 18 CO 0.04 0.55 1.08 0.00 -1.08 0.00 0.00 175.30 175.89 1xsa h LEU 20 N 0.00 1.02 -7.36 0.00 3.38 -1.99 -3.46 115.31 106.90 1xsa h LEU 20 Ca -0.35 0.01 0.15 0.00 0.09 0.00 0.00 57.88 57.78 1xsa h LEU 20 Cb 1.14 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 1xsa h LEU 20 CO 0.31 0.65 0.49 -0.51 0.09 0.00 0.00 178.44 179.47 1xsa s ILE 21 N -6.04 0.00 0.31 1.22 1.10 -1.26 -5.07 121.20 111.46 1xsa s ILE 21 Ca -0.12 -0.36 -0.29 0.00 -0.51 0.00 0.00 60.65 59.37 1xsa s ILE 21 Cb 0.20 -1.54 -0.11 0.00 0.15 0.00 0.00 42.46 41.16 1xsa s ILE 21 CO 0.81 0.00 1.45 -2.84 -2.11 0.00 0.00 174.94 172.25 1xsa s PRO 22 N -3.21 4.22 0.00 3.50 0.02 -1.26 -4.13 135.00 134.15 1xsa s PRO 22 Ca 0.09 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1xsa s PRO 22 Cb -0.01 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1xsa s PRO 22 CO -0.03 -0.43 0.00 1.63 -0.33 0.00 0.00 177.00 177.84 1xsa n LYS 23 N 1.48 0.00 -0.11 5.54 4.76 -1.26 -4.85 118.16 123.72 1xsa n LYS 23 Ca 0.04 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.34 1xsa n LYS 23 Cb 0.40 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.46 1xsa n LYS 23 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1xsa n VAL 24 N 0.00 1.34 -0.46 -0.18 0.24 -1.26 -4.88 118.33 113.13 1xsa n VAL 24 Ca 0.00 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1xsa n VAL 24 Cb 0.00 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.32 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 -3.02 0.00 -0.02 -1.34 4.64 -1.26 -4.92 116.55 110.62 1xsa n ASP 25 Ca -0.38 -0.23 0.15 0.00 -1.38 0.00 0.00 54.79 52.94 1xsa n ASP 25 Cb 1.01 0.00 0.77 0.00 -1.04 0.00 0.00 41.12 41.85 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 0.08 -1.61 1.67 3.02 -1.26 -5.01 115.26 112.15 1xsa n ASN 26 Ca 0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1xsa n ASN 26 Cb 0.07 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.18 -8.03 0.25 6.41 3.02 -1.26 -4.46 115.26 110.00 1xsa n ASN 27 Ca 0.16 1.47 0.17 0.00 -0.03 0.00 0.00 54.58 56.34 1xsa n ASN 27 Cb 0.23 -4.90 0.75 0.00 -0.61 0.00 0.00 39.78 35.25 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 0.94 1.00 -3.03 5.41 0.00 -1.89 -3.42 119.26 118.26 1xsa h ALA 28 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1xsa h ALA 28 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1xsa h ALA 28 CO 0.00 0.00 -0.49 0.42 0.00 0.00 0.00 179.25 179.18 1xsa s ILE 29 N -3.68 5.43 0.16 0.00 1.01 -1.26 0.34 121.20 123.20 1xsa s ILE 29 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1xsa s ILE 29 Cb 0.10 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1xsa s ILE 29 CO 0.44 0.51 -0.08 -1.61 0.00 0.00 0.00 174.94 174.21 1xsa s GLU 30 N -0.18 1.11 0.02 2.79 2.02 -0.50 -4.51 118.70 119.45 1xsa s GLU 30 Ca 0.11 -1.50 0.05 0.00 0.02 0.00 0.00 54.97 53.65 1xsa s GLU 30 Cb -0.11 -0.59 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 1xsa s GLU 30 CO 0.00 0.03 -0.11 -0.06 0.02 0.00 0.00 175.26 175.14 1xsa s PHE 31 N -3.37 2.77 -0.40 1.61 0.08 1.12 -1.60 117.98 118.20 1xsa s PHE 31 Ca 0.19 -0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.02 1xsa s PHE 31 Cb 0.03 -1.56 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 1xsa s PHE 31 CO 0.02 0.33 0.23 -1.17 -0.10 0.00 0.00 175.22 174.53 1xsa s LEU 32 N -1.43 4.91 0.29 -0.37 2.96 -0.59 -0.97 118.68 123.49 1xsa s LEU 32 Ca 0.16 -1.23 0.08 0.00 -0.22 0.00 0.00 54.13 52.92 1xsa s LEU 32 Cb -0.11 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1xsa s LEU 32 CO 0.07 -0.46 0.16 -0.76 -1.32 0.00 0.00 176.35 174.04 1xsa s LEU 33 N 1.49 3.51 -0.04 -0.68 1.43 -1.15 -4.62 118.68 118.63 1xsa s LEU 33 Ca 0.02 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1xsa s LEU 33 Cb -0.21 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1xsa s LEU 33 CO 0.05 -0.16 -0.20 -0.76 0.23 0.00 0.00 176.35 175.50 1xsa s LEU 34 N -3.84 1.99 -0.41 1.79 1.43 1.21 -2.76 118.68 118.07 1xsa s LEU 34 Ca 0.35 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 1xsa s LEU 34 Cb -0.06 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 45.08 1xsa s LEU 34 CO 0.24 0.20 0.29 -1.58 0.23 0.00 0.00 176.35 175.73 1xsa s GLN 35 N -0.12 2.89 0.26 1.70 0.74 -0.24 -0.48 119.66 124.40 1xsa s GLN 35 Ca -0.02 -1.16 -0.30 0.00 0.05 0.00 0.00 55.36 53.94 1xsa s GLN 35 Cb -0.12 -3.92 -0.10 0.00 1.10 0.00 0.00 33.01 29.98 1xsa s GLN 35 CO 0.02 -0.82 1.42 0.00 -0.55 0.00 0.00 175.29 175.37 1xsa s ALA 36 N 1.61 3.61 -0.76 1.58 0.00 -0.98 -3.37 121.76 123.44 1xsa s ALA 36 Ca 0.04 1.32 0.24 0.00 0.00 0.00 0.00 51.96 53.56 1xsa s ALA 36 Cb -0.21 -3.55 0.35 0.00 0.00 0.00 0.00 23.12 19.72 1xsa s ALA 36 CO 0.07 -0.73 1.30 0.45 0.00 0.00 0.00 175.76 176.85 1xsa n SER 37 N 2.14 0.61 -4.43 0.00 2.88 -1.26 -3.37 113.62 110.19 1xsa n SER 37 Ca 0.06 -0.07 -0.38 0.00 -1.33 0.00 0.00 58.87 57.15 1xsa n SER 37 Cb 0.40 0.30 -0.12 0.00 -0.75 0.00 0.00 64.21 64.05 1xsa n SER 37 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xsa s ASP 38 N -3.74 5.37 0.00 -3.46 1.01 -1.26 -4.70 116.67 109.88 1xsa s ASP 38 Ca 0.07 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.88 1xsa s ASP 38 Cb 0.15 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 42.12 1xsa s ASP 38 CO 0.73 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.57 1xsa n GLY 39 N 4.95 1.42 0.00 0.21 0.00 -1.26 -4.74 105.19 105.77 1xsa n GLY 39 Ca -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -2.13 -0.61 -6.64 -1.26 -5.06 119.36 103.67 1xsa n ILE 40 Ca 0.00 0.00 -0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1xsa n ILE 40 Cb 0.00 0.95 0.00 0.00 -1.44 0.00 0.00 39.64 39.15 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 -1.20 -4.27 4.28 8.25 -1.22 -5.06 115.22 116.01 1xsa n HIS 41 Ca 0.00 0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 57.62 1xsa n HIS 41 Cb 0.34 -2.56 -0.11 0.00 1.12 0.00 0.00 29.99 28.79 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 -3.00 2.62 0.04 4.41 -3.43 -1.25 -4.90 115.29 109.78 1xsa s HIS 42 Ca 0.00 -0.22 -0.14 0.00 -0.80 0.00 0.00 55.06 53.90 1xsa s HIS 42 Cb -0.00 -1.37 -0.06 0.00 -1.43 0.00 0.00 32.58 29.72 1xsa s HIS 42 CO 0.30 0.42 0.45 -1.58 -2.00 0.00 0.00 174.74 172.33 1xsa s TRP 43 N -1.25 3.70 0.09 0.38 0.52 -1.26 -2.32 118.94 118.80 1xsa s TRP 43 Ca 0.20 1.00 -0.27 0.00 0.02 0.00 0.00 56.10 57.06 1xsa s TRP 43 Cb -0.10 -2.30 0.08 0.00 -1.15 0.00 0.00 33.47 29.99 1xsa s TRP 43 CO 0.12 0.59 0.94 -0.08 0.02 0.00 0.00 176.95 178.54 1xsa s THR 44 N -1.19 0.00 0.46 2.01 -1.32 0.37 -4.61 115.64 111.35 1xsa s THR 44 Ca 0.28 -0.39 -0.02 0.00 -1.21 0.00 0.00 61.69 60.35 1xsa s THR 44 Cb -0.16 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.21 1xsa s THR 44 CO 0.16 0.00 0.71 -2.16 -2.21 0.00 0.00 174.62 171.12 1xsa s PRO 45 N -3.20 3.19 -0.24 7.08 0.04 -1.26 0.38 135.00 140.98 1xsa s PRO 45 Ca 0.09 -0.26 -0.32 0.00 0.04 0.00 0.00 61.00 60.55 1xsa s PRO 45 Cb -0.01 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1xsa s PRO 45 CO -0.02 -0.26 2.13 -2.30 0.04 0.00 0.00 177.00 176.59 1xsa n PRO 46 N -2.15 1.66 -3.61 0.56 -0.02 -1.26 -4.82 135.00 125.36 1xsa n PRO 46 Ca 0.01 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 1xsa n PRO 46 Cb 0.57 -2.78 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 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 5.77 0.55 0.27 -0.52 -2.85 -1.26 -2.66 119.74 119.04 1xsa s LYS 47 Ca 1.03 1.28 0.11 0.00 -1.00 0.00 0.00 55.97 57.39 1xsa s LYS 47 Cb -0.63 0.66 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 1xsa s LYS 47 CO 0.45 -0.17 -0.14 0.20 0.10 0.00 0.00 175.35 175.79 1xsa s GLY 48 N 2.56 1.81 0.97 0.59 0.00 -1.08 -4.88 107.32 107.29 1xsa s GLY 48 Ca -0.06 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.75 1xsa s GLY 48 CO -0.19 -1.88 1.10 -1.58 0.00 0.00 0.00 173.10 170.55 1xsa s HIS 49 N -2.43 1.69 -0.16 1.90 2.46 -1.26 -2.27 115.29 115.22 1xsa s HIS 49 Ca 0.30 1.56 -0.08 0.00 0.47 0.00 0.00 55.06 57.30 1xsa s HIS 49 Cb -0.06 -3.23 -0.04 0.00 -0.13 0.00 0.00 32.58 29.12 1xsa s HIS 49 CO 0.16 -2.98 0.13 0.54 -2.47 0.00 0.00 174.74 170.12 1xsa s VAL 50 N -2.65 5.42 0.30 0.89 0.11 -0.86 -4.77 120.40 118.85 1xsa s VAL 50 Ca 0.66 0.18 0.07 0.00 -2.93 0.00 0.00 61.98 59.97 1xsa s VAL 50 Cb -0.22 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1xsa s VAL 50 CO 0.60 0.52 0.23 -1.61 -3.33 0.00 0.00 175.10 171.51 1xsa s GLU 51 N -0.28 2.74 0.00 1.54 8.01 -1.26 -4.50 118.70 124.94 1xsa s GLU 51 Ca 0.11 -1.24 0.03 0.00 0.01 0.00 0.00 54.97 53.88 1xsa s GLU 51 Cb -0.11 -2.47 0.16 0.00 -4.31 0.00 0.00 34.13 27.40 1xsa s GLU 51 CO 0.01 0.22 0.49 -0.35 0.01 0.00 0.00 175.26 175.63 1xsa n PRO 52 N -1.26 0.26 -0.02 0.39 -0.04 -1.26 -1.93 135.00 131.14 1xsa n PRO 52 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.40 1xsa n PRO 52 Cb 0.59 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.32 -0.17 3.94 0.55 0.00 -1.26 -5.03 105.19 102.90 1xsa n GLY 53 Ca 0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.10 3.41 0.78 1.61 -1.05 -0.81 -5.11 118.70 115.43 1xsa s GLU 54 Ca -0.02 -0.65 -0.07 0.00 -0.15 0.00 0.00 54.97 54.09 1xsa s GLU 54 Cb 0.01 -2.93 0.13 0.00 -0.44 0.00 0.00 34.13 30.90 1xsa s GLU 54 CO 0.14 0.50 1.09 0.34 0.95 0.00 0.00 175.26 178.28 1xsa s ASP 55 N -3.39 4.12 0.02 0.83 3.68 -1.26 -4.39 116.67 116.28 1xsa s ASP 55 Ca 0.34 0.04 -0.25 0.00 2.13 0.00 0.00 52.55 54.82 1xsa s ASP 55 Cb -0.11 -0.41 -0.14 0.00 -1.45 0.00 0.00 42.92 40.82 1xsa s ASP 55 CO 0.28 -2.04 1.15 0.44 0.13 0.00 0.00 175.17 175.14 1xsa h ASP 56 N -0.86 -0.76 -0.48 -0.34 3.45 -1.98 0.25 116.42 115.69 1xsa h ASP 56 Ca -0.41 0.03 -0.10 0.00 0.43 0.00 0.00 57.03 56.98 1xsa h ASP 56 Cb 1.27 0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 40.22 1xsa h ASP 56 CO 0.45 -0.45 -0.07 0.25 -1.57 0.00 0.00 179.24 177.85 1xsa h LEU 57 N -1.09 0.90 -1.56 1.55 5.85 -1.95 -1.82 115.31 117.19 1xsa h LEU 57 Ca -0.09 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.39 1xsa h LEU 57 Cb 0.69 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1xsa h LEU 57 CO 0.15 1.03 0.45 -0.33 -0.34 0.00 0.00 178.44 179.40 1xsa h GLU 58 N 0.75 0.47 -0.58 1.25 4.39 -1.94 0.62 114.58 119.55 1xsa h GLU 58 Ca 0.13 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1xsa h GLU 58 Cb 0.61 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1xsa h GLU 58 CO 0.04 0.31 0.13 1.15 -1.16 0.00 0.00 179.01 179.49 1xsa h THR 59 N 0.49 1.25 -0.00 1.13 2.02 0.31 1.26 112.91 119.36 1xsa h THR 59 Ca 0.31 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1xsa h THR 59 Cb 0.56 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1xsa h THR 59 CO -0.10 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.13 1xsa h ALA 60 N 1.03 0.00 -0.69 6.16 0.00 0.50 0.50 119.26 126.76 1xsa h ALA 60 Ca 0.18 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xsa h ALA 60 Cb 0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1xsa h ALA 60 CO 0.00 -0.40 0.46 -0.07 0.00 0.00 0.00 179.25 179.24 1xsa h LEU 61 N -0.18 0.69 0.03 0.00 3.38 0.34 1.78 115.31 121.36 1xsa h LEU 61 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xsa h LEU 61 Cb 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xsa h LEU 61 CO -0.00 0.46 -0.02 -0.09 0.09 0.00 0.00 178.44 178.89 1xsa h ARG 62 N 0.79 -0.05 0.00 1.13 2.43 0.25 -2.76 114.38 116.18 1xsa h ARG 62 Ca 0.28 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.33 1xsa h ARG 62 Cb 0.13 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1xsa h ARG 62 CO -0.08 0.20 -0.59 0.00 -1.51 0.00 0.00 179.97 177.99 1xsa h ALA 63 N 0.67 1.03 -0.34 2.80 0.00 0.94 -1.34 119.26 123.01 1xsa h ALA 63 Ca -0.00 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.44 1xsa h ALA 63 Cb 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1xsa h ALA 63 CO 0.01 0.74 -0.09 1.15 0.00 0.00 0.00 179.25 181.05 1xsa h THR 64 N 0.00 0.65 0.01 0.00 2.02 0.29 1.41 112.91 117.30 1xsa h THR 64 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1xsa h THR 64 Cb 1.04 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1xsa h THR 64 CO 0.08 0.00 -0.19 -0.61 0.37 0.00 0.00 175.52 175.17 1xsa h GLN 65 N -0.01 0.11 -0.44 6.66 4.15 -0.18 -2.32 115.11 123.08 1xsa h GLN 65 Ca 0.16 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1xsa h GLN 65 Cb 0.25 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1xsa h GLN 65 CO -0.35 0.94 0.15 0.93 -1.93 0.00 0.00 178.83 178.57 1xsa h GLU 66 N -0.67 0.68 0.11 1.69 4.39 -0.99 2.94 114.58 122.73 1xsa h GLU 66 Ca -0.03 -0.14 -0.27 0.00 0.34 0.00 0.00 59.36 59.26 1xsa h GLU 66 Cb 1.02 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1xsa h GLU 66 CO 0.04 0.66 -1.19 0.93 -1.16 0.00 0.00 179.01 178.29 1xsa h GLU 67 N 0.58 0.35 0.00 2.33 5.08 0.18 -1.84 114.58 121.25 1xsa h GLU 67 Ca 0.14 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1xsa h GLU 67 Cb 0.25 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xsa h GLU 67 CO -0.01 1.22 -1.27 0.00 -1.00 0.00 0.00 179.01 177.96 1xsa n ALA 68 N -2.56 2.14 -0.10 3.43 0.00 -0.90 -4.27 120.51 118.25 1xsa n ALA 68 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1xsa n ALA 68 Cb 0.98 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 2.29 0.67 3.67 0.00 0.00 0.98 0.33 105.19 113.13 1xsa n GLY 69 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.14 5.32 0.39 -0.61 1.01 -1.02 -4.36 121.20 119.79 1xsa s ILE 70 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1xsa s ILE 70 Cb 0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1xsa s ILE 70 CO 0.00 0.33 0.57 -1.83 0.00 0.00 0.00 174.94 174.02 1xsa s GLU 71 N 1.03 3.14 0.52 2.79 -1.05 -1.26 -0.04 118.70 123.84 1xsa s GLU 71 Ca 0.11 -0.66 0.27 0.00 -0.15 0.00 0.00 54.97 54.53 1xsa s GLU 71 Cb -0.14 -2.67 1.45 0.00 -0.44 0.00 0.00 34.13 32.33 1xsa s GLU 71 CO 0.05 -0.08 2.08 0.00 0.95 0.00 0.00 175.26 178.26 1xsa h ALA 72 N 0.64 1.33 -0.80 -0.84 0.00 -1.86 -2.38 119.26 115.36 1xsa h ALA 72 Ca -0.47 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.51 1xsa h ALA 72 Cb 1.25 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1xsa h ALA 72 CO 0.56 0.14 0.53 0.78 0.00 0.00 0.00 179.25 181.27 1xsa h GLY 73 N 0.76 0.73 -1.73 0.00 0.00 -2.00 0.21 103.07 101.05 1xsa h GLY 73 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1xsa h GLY 73 CO 0.01 0.04 -0.10 0.61 0.00 0.00 0.00 176.54 177.11 1xsa n GLN 74 N -4.48 2.08 -4.39 4.80 10.64 -0.91 -4.92 117.38 120.20 1xsa n GLN 74 Ca 0.16 -1.73 -0.30 0.00 -1.83 0.00 0.00 57.00 53.30 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 -2.08 2.72 -0.19 2.61 1.43 0.75 -2.22 118.68 121.69 1xsa s LEU 75 Ca 0.26 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1xsa s LEU 75 Cb 0.19 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1xsa s LEU 75 CO 0.35 0.20 -0.15 0.28 0.23 0.00 0.00 176.35 177.26 1xsa s THR 76 N -1.09 2.48 -0.81 5.49 -1.32 -1.08 -4.77 115.64 114.54 1xsa s THR 76 Ca 0.17 -0.80 -0.25 0.00 -1.21 0.00 0.00 61.69 59.60 1xsa s THR 76 Cb -0.11 -2.07 -0.01 0.00 -1.51 0.00 0.00 72.50 68.80 1xsa s THR 76 CO 0.09 0.50 1.74 -0.63 -2.21 0.00 0.00 174.62 174.12 1xsa s ILE 77 N 1.31 3.54 0.30 5.08 -1.09 -1.26 -3.04 121.20 126.04 1xsa s ILE 77 Ca 0.04 -0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1xsa s ILE 77 Cb -0.14 -4.30 0.29 0.00 -1.58 0.00 0.00 42.46 36.74 1xsa s ILE 77 CO -0.09 -1.24 1.75 0.40 -1.23 0.00 0.00 174.94 174.54 1xsa h ILE 78 N 6.90 0.65 0.00 2.92 5.03 -1.76 -3.46 117.51 127.79 1xsa h ILE 78 Ca -0.04 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.47 1xsa h ILE 78 Cb 1.06 -0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 1xsa h ILE 78 CO 1.26 0.12 0.00 1.21 -0.68 0.00 0.00 178.15 180.06 1xsa n GLU 79 N -4.84 0.00 0.00 2.37 2.13 -1.24 -4.83 120.64 114.23 1xsa n GLU 79 Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1xsa n GLU 79 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 1xsa n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsa n GLY 80 N 0.00 0.44 3.42 8.31 0.00 -1.26 -4.44 105.19 111.65 1xsa n GLY 80 Ca 0.00 -0.01 -0.37 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 3.12 -0.24 1.61 2.19 -1.26 -5.04 117.98 118.36 1xsa s PHE 81 Ca 0.00 -0.61 -0.03 0.00 0.33 0.00 0.00 56.93 56.62 1xsa s PHE 81 Cb 0.00 -2.27 0.13 0.00 -1.31 0.00 0.00 43.02 39.57 1xsa s PHE 81 CO 0.00 -0.44 0.40 0.21 1.83 0.00 0.00 175.22 177.22 1xsa s LYS 82 N 1.58 0.35 0.25 10.12 2.36 -1.26 -3.86 119.74 129.29 1xsa s LYS 82 Ca 0.05 0.66 -0.06 0.00 -2.55 0.00 0.00 55.97 54.06 1xsa s LYS 82 Cb -0.16 -0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 36.33 1xsa s LYS 82 CO 0.04 -0.56 0.35 1.03 1.55 0.00 0.00 175.35 177.76 1xsa s ARG 83 N 2.57 1.51 -0.60 4.03 1.81 -1.25 -5.00 118.95 122.02 1xsa s ARG 83 Ca 0.10 -1.50 -0.22 0.00 -1.72 0.00 0.00 55.73 52.39 1xsa s ARG 83 Cb -0.15 0.39 0.06 0.00 -0.45 0.00 0.00 34.95 34.80 1xsa s ARG 83 CO -0.15 -0.59 0.90 -1.21 -0.68 0.00 0.00 175.30 173.57 1xsa s GLU 84 N -3.86 3.19 0.09 3.54 8.01 -1.26 -2.42 118.70 125.99 1xsa s GLU 84 Ca 0.30 -0.66 -0.31 0.00 0.01 0.00 0.00 54.97 54.32 1xsa s GLU 84 Cb 0.02 -4.15 -0.06 0.00 -4.31 0.00 0.00 34.13 25.63 1xsa s GLU 84 CO 0.13 -1.60 1.22 -1.17 0.01 0.00 0.00 175.26 173.85 1xsa s LEU 85 N 3.77 4.39 0.04 1.80 2.96 6.40 -4.64 118.68 133.39 1xsa s LEU 85 Ca 0.24 2.10 0.04 0.00 -0.22 0.00 0.00 54.13 56.28 1xsa s LEU 85 Cb -0.16 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1xsa s LEU 85 CO 0.13 -0.47 -0.11 0.20 -1.32 0.00 0.00 176.35 174.78 1xsa s ASN 86 N 0.88 1.34 0.19 3.68 0.02 -1.26 0.30 114.94 120.09 1xsa s ASN 86 Ca 0.58 -0.44 -0.21 0.00 -1.02 0.00 0.00 52.86 51.77 1xsa s ASN 86 Cb -0.31 -0.07 0.05 0.00 0.02 0.00 0.00 41.25 40.94 1xsa s ASN 86 CO 0.31 -0.02 0.61 -0.72 0.02 0.00 0.00 177.10 177.30 1xsa s TYR 87 N -0.90 -0.38 -0.20 2.20 1.13 -1.24 -4.70 117.35 113.27 1xsa s TYR 87 Ca -0.01 0.08 0.15 0.00 -1.41 0.00 0.00 57.07 55.88 1xsa s TYR 87 Cb -0.08 0.56 0.45 0.00 -1.10 0.00 0.00 41.96 41.80 1xsa s TYR 87 CO 0.01 -0.95 1.34 1.33 -2.51 0.00 0.00 175.55 174.77 1xsa n VAL 88 N -0.39 2.24 -0.24 -3.49 0.24 -1.26 -3.37 118.33 112.06 1xsa n VAL 88 Ca -0.13 -2.33 0.32 0.00 -2.04 0.00 0.00 64.34 60.17 1xsa n VAL 88 Cb 0.63 -0.27 0.63 0.00 -1.47 0.00 0.00 33.84 33.37 1xsa n VAL 88 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xsa h ALA 89 N 1.05 2.95 -0.43 2.33 0.00 -1.96 2.90 119.26 126.10 1xsa h ALA 89 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xsa h ALA 89 Cb 1.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1xsa h ALA 89 CO 0.19 -1.56 0.00 0.54 0.00 0.00 0.00 179.25 178.41 1xsa n ARG 90 N -3.63 3.10 -0.80 0.00 1.74 -1.26 -4.91 116.66 110.90 1xsa n ARG 90 Ca 0.24 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1xsa n ARG 90 Cb 1.35 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 1xsa n ARG 90 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xsa n ASN 91 N 0.48 -0.39 -3.99 0.55 0.23 0.97 -4.91 115.26 108.21 1xsa n ASN 91 Ca 0.18 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.92 1xsa n ASN 91 Cb 0.67 -1.15 -0.13 0.00 -2.08 0.00 0.00 39.78 37.09 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 -0.47 2.05 -0.02 -3.83 1.02 -1.26 -5.01 119.74 112.21 1xsa s LYS 92 Ca 0.00 -2.54 -0.18 0.00 0.02 0.00 0.00 55.97 53.28 1xsa s LYS 92 Cb 0.00 -3.39 -0.22 0.00 -0.52 0.00 0.00 37.83 33.70 1xsa s LYS 92 CO 0.00 -1.11 1.15 -2.30 -0.92 0.00 0.00 175.35 172.17 1xsa n PRO 93 N 3.29 0.00 -2.28 -1.68 -0.02 -1.26 -4.68 135.00 128.37 1xsa n PRO 93 Ca 0.05 -0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 60.65 1xsa n PRO 93 Cb 0.34 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1xsa n PRO 93 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsa s LYS 94 N 5.37 3.59 0.09 -0.52 1.02 -1.22 -4.86 119.74 123.21 1xsa s LYS 94 Ca 0.40 0.49 -0.11 0.00 0.02 0.00 0.00 55.97 56.77 1xsa s LYS 94 Cb 0.08 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1xsa s LYS 94 CO 0.20 -0.37 0.43 0.99 -0.92 0.00 0.00 175.35 175.68 1xsa s THR 95 N -2.93 5.05 -0.02 2.17 2.01 0.63 -3.59 115.64 118.97 1xsa s THR 95 Ca 0.51 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1xsa s THR 95 Cb -0.11 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1xsa s THR 95 CO 0.48 0.30 -0.00 -0.69 -0.69 0.00 0.00 174.62 174.01 1xsa s VAL 96 N -1.39 0.15 -0.13 3.82 1.01 0.88 0.27 120.40 125.00 1xsa s VAL 96 Ca 0.33 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1xsa s VAL 96 Cb -0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1xsa s VAL 96 CO 0.18 0.10 0.01 -0.63 0.00 0.00 0.00 175.10 174.76 1xsa s ILE 97 N 0.61 4.35 -0.12 2.22 1.01 0.16 0.98 121.20 130.41 1xsa s ILE 97 Ca -0.06 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1xsa s ILE 97 Cb -0.09 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 1xsa s ILE 97 CO -0.01 0.53 -0.21 -0.31 0.00 0.00 0.00 174.94 174.94 1xsa s TYR 98 N -0.15 2.65 0.22 3.97 1.51 -1.02 0.26 117.35 124.79 1xsa s TYR 98 Ca 0.05 -1.00 0.10 0.00 -1.01 0.00 0.00 57.07 55.21 1xsa s TYR 98 Cb -0.12 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1xsa s TYR 98 CO 0.02 -0.41 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.34 1xsa s TRP 99 N 0.45 2.52 0.02 2.71 0.51 -0.59 -3.87 118.94 120.69 1xsa s TRP 99 Ca -0.15 -0.27 -0.27 0.00 -2.12 0.00 0.00 56.10 53.30 1xsa s TRP 99 Cb -0.17 -1.19 -0.04 0.00 -0.81 0.00 0.00 33.47 31.26 1xsa s TRP 99 CO 0.06 0.57 0.84 -0.51 -0.51 0.00 0.00 176.95 177.40 1xsa s LEU 100 N -3.07 4.41 0.00 2.99 1.43 -1.25 0.52 118.68 123.71 1xsa s LEU 100 Ca 0.26 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1xsa s LEU 100 Cb -0.07 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 1xsa s LEU 100 CO 0.15 -0.10 -0.01 0.00 0.23 0.00 0.00 176.35 176.62 1xsa s ALA 101 N 0.41 0.08 -0.05 4.21 0.00 -0.56 -1.91 121.76 123.94 1xsa s ALA 101 Ca 0.43 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1xsa s ALA 101 Cb -0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1xsa s ALA 101 CO 0.24 0.00 -0.24 -2.00 0.00 0.00 0.00 175.76 173.77 1xsa s GLU 102 N -0.15 2.35 -0.26 0.00 2.12 -1.17 -1.94 118.70 119.65 1xsa s GLU 102 Ca -0.01 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.28 1xsa s GLU 102 Cb -0.01 -2.03 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 1xsa s GLU 102 CO -0.00 0.38 0.54 0.14 -0.54 0.00 0.00 175.26 175.79 1xsa s VAL 103 N -0.20 5.05 -1.25 3.70 -7.23 -1.17 -2.63 120.40 116.68 1xsa s VAL 103 Ca -0.02 0.95 0.18 0.00 -1.81 0.00 0.00 61.98 61.29 1xsa s VAL 103 Cb -0.13 -3.86 0.25 0.00 0.56 0.00 0.00 36.38 33.21 1xsa s VAL 103 CO 0.03 0.08 1.57 2.29 -0.31 0.00 0.00 175.10 178.76 1xsa n LYS 104 N 5.54 0.15 -3.57 4.82 2.85 -0.94 -4.18 118.16 122.82 1xsa n LYS 104 Ca -0.03 0.14 -0.40 0.00 -1.05 0.00 0.00 58.31 56.97 1xsa n LYS 104 Cb 0.50 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.29 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 -2.75 5.71 0.57 -5.58 1.01 -1.26 -4.91 116.67 109.46 1xsa s ASP 105 Ca 0.14 -2.21 0.27 0.00 0.71 0.00 0.00 52.55 51.45 1xsa s ASP 105 Cb 0.12 -1.99 1.57 0.00 1.01 0.00 0.00 42.92 43.63 1xsa s ASP 105 CO 0.30 -0.60 2.10 0.22 0.21 0.00 0.00 175.17 177.40 1xsa h TYR 106 N 8.05 0.00 -0.50 4.23 5.03 -1.97 0.29 116.97 132.10 1xsa h TYR 106 Ca -0.13 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.13 1xsa h TYR 106 Cb 1.04 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.29 1xsa h TYR 106 CO 0.70 0.00 0.05 -0.25 -1.32 0.00 0.00 178.16 177.34 1xsa n ASP 107 N -4.00 4.85 -4.28 -2.11 10.43 -1.26 -5.03 116.55 115.16 1xsa n ASP 107 Ca 0.02 -3.06 -0.39 0.00 2.57 0.00 0.00 54.79 53.94 1xsa n ASP 107 Cb 0.33 -0.65 0.02 0.00 1.84 0.00 0.00 41.12 42.65 1xsa n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsa n VAL 108 N 0.03 0.46 -3.16 2.53 3.14 0.10 -4.85 118.33 116.58 1xsa n VAL 108 Ca 0.29 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.73 1xsa n VAL 108 Cb 1.14 -0.14 -0.05 0.00 -1.06 0.00 0.00 33.84 33.72 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 -1.31 3.07 -0.81 1.45 2.12 -1.26 -4.99 118.70 116.98 1xsa s GLU 109 Ca 0.58 -1.15 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 1xsa s GLU 109 Cb -0.47 -4.19 -0.00 0.00 0.26 0.00 0.00 34.13 29.73 1xsa s GLU 109 CO 0.65 -1.36 1.69 0.42 -0.54 0.00 0.00 175.26 176.12 1xsa s ILE 110 N 2.56 3.57 -0.24 -3.70 -1.09 -1.26 -4.60 121.20 116.43 1xsa s ILE 110 Ca 0.12 -0.13 -0.19 0.00 -2.23 0.00 0.00 60.65 58.23 1xsa s ILE 110 Cb -0.22 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.26 1xsa s ILE 110 CO 0.09 -1.31 0.55 -0.13 -1.23 0.00 0.00 174.94 172.90 1xsa s ARG 111 N 6.37 4.12 -0.48 2.79 0.52 0.98 -4.80 118.95 128.45 1xsa s ARG 111 Ca 0.58 0.42 -0.18 0.00 -0.52 0.00 0.00 55.73 56.03 1xsa s ARG 111 Cb -0.07 -3.62 0.06 0.00 0.52 0.00 0.00 34.95 31.83 1xsa s ARG 111 CO 0.07 -0.30 0.53 -0.51 0.02 0.00 0.00 175.30 175.10 1xsa s LEU 112 N 2.14 5.16 0.95 2.53 1.43 -1.23 0.11 118.68 129.76 1xsa s LEU 112 Ca 0.24 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 1xsa s LEU 112 Cb -0.16 -2.36 0.16 0.00 0.03 0.00 0.00 46.19 43.87 1xsa s LEU 112 CO 0.09 -0.77 1.09 -0.44 0.23 0.00 0.00 176.35 176.55 1xsa s SER 113 N 2.53 2.99 -0.96 2.29 0.01 -0.69 -4.68 113.70 115.20 1xsa s SER 113 Ca 0.11 1.37 -0.25 0.00 1.31 0.00 0.00 55.95 58.49 1xsa s SER 113 Cb -0.20 -2.05 -0.23 0.00 0.21 0.00 0.00 66.02 63.74 1xsa s SER 113 CO 0.10 -2.93 2.48 1.57 0.41 0.00 0.00 173.24 174.88 1xsa n HIS 114 N -4.06 0.43 0.00 2.43 -0.00 -1.26 -2.94 115.22 109.82 1xsa n HIS 114 Ca 0.06 0.29 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1xsa n HIS 114 Cb 0.56 -1.92 0.00 0.00 -0.12 0.00 0.00 29.99 28.51 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 7.57 0.00 -4.50 1.57 1.02 -1.26 -5.05 120.64 119.99 1xsa n GLU 115 Ca 0.64 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.46 1xsa n GLU 115 Cb 0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.36 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 2.84 -0.10 -0.32 3.76 -1.15 -4.02 115.29 116.30 1xsa s HIS 116 Ca 0.00 -0.07 0.14 0.00 -0.15 0.00 0.00 55.06 54.98 1xsa s HIS 116 Cb 0.00 -1.59 0.29 0.00 1.11 0.00 0.00 32.58 32.39 1xsa s HIS 116 CO 0.00 0.35 1.14 0.94 -0.85 0.00 0.00 174.74 176.32 1xsa n GLN 117 N 1.58 0.88 -3.67 1.40 7.27 -1.22 -4.58 117.38 119.03 1xsa n GLN 117 Ca -0.16 -2.35 -0.10 0.00 0.07 0.00 0.00 57.00 54.46 1xsa n GLN 117 Cb 0.52 -1.06 -0.09 0.00 2.41 0.00 0.00 30.24 32.02 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 -1.88 -1.44 -0.18 1.69 0.00 -1.22 -4.95 121.76 113.79 1xsa s ALA 118 Ca 0.27 1.86 -0.13 0.00 0.00 0.00 0.00 51.96 53.96 1xsa s ALA 118 Cb 0.27 -1.10 0.05 0.00 0.00 0.00 0.00 23.12 22.34 1xsa s ALA 118 CO -0.04 -0.31 0.45 1.52 0.00 0.00 0.00 175.76 177.39 1xsa s TYR 119 N 1.15 -0.57 0.05 0.00 1.13 -1.26 -1.08 117.35 116.77 1xsa s TYR 119 Ca -0.07 1.30 0.00 0.00 -1.41 0.00 0.00 57.07 56.90 1xsa s TYR 119 Cb -0.06 0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 41.00 1xsa s TYR 119 CO -0.11 -0.30 -0.05 1.03 -2.51 0.00 0.00 175.55 173.61 1xsa s ARG 120 N 0.78 0.59 -0.40 -3.49 0.52 -1.11 -4.99 118.95 110.85 1xsa s ARG 120 Ca -0.04 -1.04 -0.09 0.00 -0.52 0.00 0.00 55.73 54.04 1xsa s ARG 120 Cb -0.05 -0.00 0.06 0.00 0.52 0.00 0.00 34.95 35.48 1xsa s ARG 120 CO -0.06 -0.05 0.22 -1.58 0.02 0.00 0.00 175.30 173.86 1xsa s TRP 121 N -2.87 3.31 0.38 -0.53 0.52 -1.26 -2.92 118.94 115.57 1xsa s TRP 121 Ca 0.00 -1.44 0.04 0.00 0.02 0.00 0.00 56.10 54.72 1xsa s TRP 121 Cb 0.00 -2.75 -0.05 0.00 -1.15 0.00 0.00 33.47 29.52 1xsa s TRP 121 CO -0.05 -0.80 0.06 -0.51 0.02 0.00 0.00 176.95 175.68 1xsa s LEU 122 N 1.43 2.25 0.00 2.99 1.43 -0.14 -4.82 118.68 121.82 1xsa s LEU 122 Ca 0.02 -1.47 -0.10 0.00 -1.03 0.00 0.00 54.13 51.54 1xsa s LEU 122 Cb -0.22 -0.43 0.17 0.00 0.03 0.00 0.00 46.19 45.74 1xsa s LEU 122 CO 0.03 -0.68 1.01 0.61 0.23 0.00 0.00 176.35 177.54 1xsa n GLY 123 N -0.84 -0.96 0.10 -3.19 0.00 -1.26 0.36 105.19 99.40 1xsa n GLY 123 Ca -0.05 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 0.06 0.24 0.99 5.85 -1.87 0.12 115.31 120.70 1xsa h LEU 124 Ca -0.33 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1xsa h LEU 124 Cb 0.96 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1xsa h LEU 124 CO 0.25 0.06 -0.15 1.05 -0.34 0.00 0.00 178.44 179.32 1xsa h GLU 125 N 0.15 -0.36 -0.55 1.25 4.11 -1.96 0.43 114.58 117.64 1xsa h GLU 125 Ca 0.08 0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 1xsa h GLU 125 Cb 0.06 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1xsa h GLU 125 CO -0.09 -0.24 0.24 1.49 0.07 0.00 0.00 179.01 180.48 1xsa h GLU 126 N -0.38 0.79 0.00 1.06 4.81 -1.90 -0.17 114.58 118.79 1xsa h GLU 126 Ca -0.02 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1xsa h GLU 126 Cb 0.32 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1xsa h GLU 126 CO 0.02 0.63 -0.39 0.00 -0.73 0.00 0.00 179.01 178.54 1xsa h ALA 127 N 1.48 1.23 -0.45 2.92 0.00 -0.23 -2.84 119.26 121.38 1xsa h ALA 127 Ca 0.19 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1xsa h ALA 127 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xsa h ALA 127 CO -0.02 0.49 -0.20 0.00 0.00 0.00 0.00 179.25 179.51 1xsa h GLN 129 N 0.77 -0.00 -0.60 0.00 -0.00 -1.27 -0.47 115.11 113.54 1xsa h GLN 129 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.74 1xsa h GLN 129 Cb 0.77 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.22 1xsa h GLN 129 CO 0.06 0.36 0.32 -0.07 -0.00 0.00 0.00 178.83 179.50 1xsa h LEU 130 N -0.37 0.76 -0.38 0.06 3.38 -1.51 -2.76 115.31 114.49 1xsa h LEU 130 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xsa h LEU 130 Cb 0.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1xsa h LEU 130 CO 0.00 0.65 0.19 0.00 0.09 0.00 0.00 178.44 179.37 1xsa h ALA 131 N 1.14 0.49 0.00 1.53 0.00 -0.82 -3.37 119.26 118.24 1xsa h ALA 131 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xsa h ALA 131 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xsa h ALA 131 CO -0.03 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1xsa n GLN 132 N -4.71 0.00 -3.79 0.00 10.64 -0.19 -4.86 117.38 114.46 1xsa n GLN 132 Ca -0.00 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.80 1xsa n GLN 132 Cb 0.11 -2.76 -0.06 0.00 -0.86 0.00 0.00 30.24 26.66 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 -0.57 3.57 0.04 2.61 0.08 -1.26 -4.98 117.98 117.46 1xsa s PHE 133 Ca 0.00 0.55 -0.27 0.00 0.12 0.00 0.00 56.93 57.33 1xsa s PHE 133 Cb 0.00 -2.04 -0.17 0.00 -0.57 0.00 0.00 43.02 40.24 1xsa s PHE 133 CO 0.00 0.62 1.47 -0.22 -0.10 0.00 0.00 175.22 176.99 1xsa h LYS 134 N 5.36 -0.37 -0.69 0.44 3.64 -1.93 1.18 116.57 124.18 1xsa h LYS 134 Ca -0.51 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1xsa h LYS 134 Cb 1.21 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1xsa h LYS 134 CO 0.63 -0.13 0.37 0.93 -2.27 0.00 0.00 179.45 178.98 1xsa h GLU 135 N -0.56 0.96 -0.31 1.90 5.08 -1.95 0.11 114.58 119.81 1xsa h GLU 135 Ca -0.04 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1xsa h GLU 135 Cb 0.41 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xsa h GLU 135 CO 0.06 0.72 -0.25 1.98 -1.00 0.00 0.00 179.01 180.52 1xsa h MET 136 N 0.97 0.72 -0.29 2.33 4.05 -1.84 0.13 114.93 121.00 1xsa h MET 136 Ca 0.25 -0.36 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1xsa h MET 136 Cb 0.04 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1xsa h MET 136 CO -0.04 0.97 0.17 -0.22 0.23 0.00 0.00 176.91 178.02 1xsa h LYS 137 N 0.47 0.33 -0.10 0.39 3.64 0.23 -0.07 116.57 121.47 1xsa h LYS 137 Ca 0.06 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1xsa h LYS 137 Cb 0.81 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1xsa h LYS 137 CO 0.07 0.22 -0.36 0.00 -2.27 0.00 0.00 179.45 177.11 1xsa h ALA 138 N 1.13 1.20 -0.67 5.00 0.00 -0.73 0.15 119.26 125.35 1xsa h ALA 138 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xsa h ALA 138 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xsa h ALA 138 CO -0.06 0.54 0.44 0.00 0.00 0.00 0.00 179.25 180.17 1xsa h ALA 139 N 1.45 0.85 -0.10 0.00 0.00 0.47 3.17 119.26 125.10 1xsa h ALA 139 Ca 0.02 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1xsa h ALA 139 Cb 0.72 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xsa h ALA 139 CO 0.05 0.29 -0.78 -0.07 0.00 0.00 0.00 179.25 178.75 1xsa h LEU 140 N 0.91 0.86 0.01 0.00 3.38 -0.65 0.21 115.31 120.03 1xsa h LEU 140 Ca 0.25 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1xsa h LEU 140 Cb -0.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1xsa h LEU 140 CO -0.05 1.39 -0.01 -0.61 0.09 0.00 0.00 178.44 179.26 1xsa h GLN 141 N 0.40 -0.02 -0.42 1.13 4.15 -0.18 0.08 115.11 120.26 1xsa h GLN 141 Ca -0.07 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 1xsa h GLN 141 Cb 1.42 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.10 1xsa h GLN 141 CO 0.16 0.55 -0.08 0.93 -1.93 0.00 0.00 178.83 178.46 1xsa h GLU 142 N -0.59 0.72 -0.45 1.69 4.39 0.57 -1.65 114.58 119.26 1xsa h GLU 142 Ca -0.00 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1xsa h GLU 142 Cb 0.57 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1xsa h GLU 142 CO 0.00 0.78 0.21 0.78 -1.16 0.00 0.00 179.01 179.63 1xsa h GLY 143 N 0.97 0.70 1.20 -3.84 0.00 -0.55 -2.09 103.07 99.46 1xsa h GLY 143 Ca 0.12 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1xsa h GLY 143 CO 0.03 0.33 0.53 0.45 0.00 0.00 0.00 176.54 177.88 1xsa h HIS 144 N 0.58 1.02 -0.50 5.60 3.86 -0.52 -2.27 115.15 122.93 1xsa h HIS 144 Ca 0.15 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.45 1xsa h HIS 144 Cb 0.13 -0.34 -0.06 0.00 1.06 0.00 0.00 27.41 28.20 1xsa h HIS 144 CO -0.01 0.65 0.17 0.37 0.86 0.00 0.00 177.93 179.97 1xsa h GLN 145 N 1.10 0.34 -0.15 2.45 5.75 -0.61 -1.21 115.11 122.78 1xsa h GLN 145 Ca 0.29 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1xsa h GLN 145 Cb -0.11 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 1xsa h GLN 145 CO -0.06 0.22 0.05 0.35 -2.65 0.00 0.00 178.83 176.74 1xsa h PHE 146 N 0.35 0.24 -0.85 3.99 3.04 -1.18 -2.89 116.94 119.64 1xsa h PHE 146 Ca 0.24 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.31 1xsa h PHE 146 Cb 0.26 -0.07 -0.09 0.00 2.56 0.00 0.00 35.95 38.61 1xsa h PHE 146 CO -0.17 0.35 0.44 -0.07 -2.02 0.00 0.00 178.31 176.85 1xsa h LEU 147 N 0.06 0.54 -2.08 0.59 3.38 -0.93 0.45 115.31 117.32 1xsa h LEU 147 Ca 0.05 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1xsa h LEU 147 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xsa h LEU 147 CO -0.00 0.23 0.12 0.00 0.09 0.00 0.00 178.44 178.88 1xsa n SER 149 N -4.33 0.11 -0.37 0.00 2.88 0.16 -4.17 113.62 107.91 1xsa n SER 149 Ca 0.01 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1xsa n SER 149 Cb 0.24 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 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 -1.47 0.00 0.33 2.46 5.41 0.94 -4.90 119.36 122.13 1xsa n ILE 150 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.87 1xsa n ILE 150 Cb 0.33 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 39.45 1xsa n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsa n GLU 151 N 0.00 2.56 -0.12 0.38 2.13 -1.26 -4.04 120.64 120.29 1xsa n GLU 151 Ca 0.00 -1.47 -0.13 0.00 0.66 0.00 0.00 57.16 56.23 1xsa n GLU 151 Cb 0.00 -1.68 -0.01 0.00 0.27 0.00 0.00 31.44 30.02 1xsa n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsa h ALA 152 N 3.22 0.60 0.00 4.31 0.00 -1.82 -3.52 119.26 122.05 1xsa h ALA 152 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xsa h ALA 152 Cb 0.98 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xsa h ALA 152 CO 0.16 0.68 0.00 -0.11 0.00 0.00 0.00 179.25 179.98