#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsq s LEU 3 N 0.00 3.58 0.14 -0.35 2.96 -0.16 -4.87 118.68 119.98 1xsq s LEU 3 Ca 0.00 -1.77 -0.31 0.00 -0.22 0.00 0.00 54.13 51.84 1xsq s LEU 3 Cb 0.00 -1.34 -0.08 0.00 0.50 0.00 0.00 46.19 45.27 1xsq s LEU 3 CO 0.00 -0.34 1.35 -1.58 -1.32 0.00 0.00 176.35 174.45 1xsq s GLN 4 N 1.20 4.35 -0.36 1.98 2.00 -1.26 -0.87 119.66 126.70 1xsq s GLN 4 Ca 0.06 2.04 -0.16 0.00 -2.00 0.00 0.00 55.36 55.30 1xsq s GLN 4 Cb -0.19 -3.24 -0.00 0.00 0.80 0.00 0.00 33.01 30.38 1xsq s GLN 4 CO -0.12 -0.36 0.42 0.08 -0.50 0.00 0.00 175.29 174.81 1xsq s VAL 5 N 0.77 5.11 0.33 1.34 1.01 0.05 -3.86 120.40 125.14 1xsq s VAL 5 Ca 0.61 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1xsq s VAL 5 Cb -0.36 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1xsq s VAL 5 CO 0.33 -0.19 0.15 -0.76 0.00 0.00 0.00 175.10 174.62 1xsq s LEU 6 N 2.16 3.32 0.32 3.92 1.43 -0.56 -4.81 118.68 124.47 1xsq s LEU 6 Ca 0.14 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1xsq s LEU 6 Cb -0.16 -1.82 -0.11 0.00 0.03 0.00 0.00 46.19 44.13 1xsq s LEU 6 CO 0.13 -0.26 1.48 -2.84 0.23 0.00 0.00 176.35 175.09 1xsq s PRO 7 N -3.84 4.18 0.24 1.29 0.02 -1.26 -1.08 135.00 134.54 1xsq s PRO 7 Ca 0.37 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.57 1xsq s PRO 7 Cb -0.04 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 1xsq s PRO 7 CO 0.23 -0.49 1.03 -1.17 -0.33 0.00 0.00 177.00 176.27 1xsq s LEU 8 N -1.31 4.57 0.01 -5.54 2.96 -0.58 -4.77 118.68 114.03 1xsq s LEU 8 Ca 0.56 2.10 -0.18 0.00 -0.22 0.00 0.00 54.13 56.39 1xsq s LEU 8 Cb -0.45 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.66 1xsq s LEU 8 CO 0.54 -0.04 0.39 -0.94 -1.32 0.00 0.00 176.35 174.98 1xsq s SER 9 N -0.80 -0.27 0.26 3.68 1.04 -1.26 -4.88 113.70 111.47 1xsq s SER 9 Ca 0.44 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 1xsq s SER 9 Cb -0.29 0.39 0.35 0.00 0.10 0.00 0.00 66.02 66.56 1xsq s SER 9 CO 0.36 -0.58 1.90 -0.61 0.98 0.00 0.00 173.24 175.29 1xsq h GLN 10 N 3.33 1.19 -0.30 4.02 5.75 -1.96 -1.12 115.11 126.02 1xsq h GLN 10 Ca -0.30 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.15 1xsq h GLN 10 Cb 1.19 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 1xsq h GLN 10 CO 0.42 0.79 0.14 0.93 -2.65 0.00 0.00 178.83 178.46 1xsq h GLU 11 N 1.23 0.28 0.00 1.69 5.08 -1.99 0.13 114.58 121.00 1xsq h GLU 11 Ca 0.40 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1xsq h GLU 11 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xsq h GLU 11 CO -0.14 0.19 -0.20 0.00 -1.00 0.00 0.00 179.01 177.86 1xsq h ALA 12 N 1.17 0.90 0.00 3.43 0.00 -1.88 -3.32 119.26 119.56 1xsq h ALA 12 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xsq h ALA 12 Cb 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xsq h ALA 12 CO -0.10 0.25 -1.68 0.34 0.00 0.00 0.00 179.25 178.06 1xsq n PHE 13 N -3.20 0.35 -0.43 0.00 7.35 -0.45 -4.62 117.46 116.46 1xsq n PHE 13 Ca 0.02 0.10 0.37 0.00 -0.76 0.00 0.00 57.45 57.19 1xsq n PHE 13 Cb 0.55 -0.69 0.65 0.00 0.35 0.00 0.00 39.48 40.33 1xsq n PHE 13 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1xsq h SER 14 N 0.00 0.25 0.82 -2.13 4.64 -0.84 0.42 113.55 116.70 1xsq h SER 14 Ca -0.03 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1xsq h SER 14 Cb 1.07 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xsq h SER 14 CO 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 176.83 175.69 1xsq n ALA 15 N -2.46 2.23 -0.03 5.18 0.00 -1.26 -3.61 120.51 120.56 1xsq n ALA 15 Ca 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 1xsq n ALA 15 Cb 1.46 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 1xsq n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xsq n TYR 16 N -1.46 0.00 -2.68 0.00 4.01 0.14 -5.00 117.16 112.17 1xsq n TYR 16 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1xsq n TYR 16 Cb 0.29 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1xsq n TYR 16 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xsq n GLY 17 N 2.20 -0.56 3.50 2.72 0.00 -0.71 -1.58 105.19 110.77 1xsq n GLY 17 Ca -0.10 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 1xsq n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsq s ASP 18 N -4.00 4.09 -0.26 1.61 1.01 -0.25 -3.79 116.67 115.08 1xsq s ASP 18 Ca 0.00 -0.31 -0.11 0.00 0.71 0.00 0.00 52.55 52.84 1xsq s ASP 18 Cb 0.00 -0.79 -0.05 0.00 1.01 0.00 0.00 42.92 43.09 1xsq s ASP 18 CO 0.00 0.27 0.18 -0.69 0.21 0.00 0.00 175.17 175.14 1xsq s VAL 19 N -0.93 5.32 -0.42 -1.27 1.01 -1.26 -1.23 120.40 121.62 1xsq s VAL 19 Ca 0.15 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 1xsq s VAL 19 Cb -0.11 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1xsq s VAL 19 CO 0.06 0.29 0.64 -0.63 0.00 0.00 0.00 175.10 175.46 1xsq s ILE 20 N 1.47 4.84 0.17 2.22 1.01 0.18 -4.89 121.20 126.20 1xsq s ILE 20 Ca 0.07 0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.70 1xsq s ILE 20 Cb -0.15 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.21 1xsq s ILE 20 CO 0.08 -0.54 0.96 -1.83 0.00 0.00 0.00 174.94 173.62 1xsq s GLU 21 N 2.81 1.25 -0.03 2.79 -1.05 -1.26 -0.58 118.70 122.62 1xsq s GLU 21 Ca 0.23 -0.72 0.10 0.00 -0.15 0.00 0.00 54.97 54.43 1xsq s GLU 21 Cb -0.14 0.41 -0.15 0.00 -0.44 0.00 0.00 34.13 33.81 1xsq s GLU 21 CO 0.18 -0.58 0.19 0.25 0.95 0.00 0.00 175.26 176.25 1xsq n THR 22 N -0.51 0.12 -1.68 1.83 -2.24 -1.26 -4.88 114.28 105.66 1xsq n THR 22 Ca -0.06 -0.26 -0.54 0.00 -2.27 0.00 0.00 64.05 60.92 1xsq n THR 22 Cb 0.60 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1xsq n THR 22 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1xsq n GLN 23 N -1.94 1.48 -1.98 -0.78 -0.06 -1.26 -1.45 117.38 111.39 1xsq n GLN 23 Ca -0.04 0.53 -0.17 0.00 -2.00 0.00 0.00 57.00 55.32 1xsq n GLN 23 Cb 0.36 -2.31 -0.04 0.00 -4.06 0.00 0.00 30.24 24.19 1xsq n GLN 23 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1xsq n GLN 24 N 6.08 -1.67 -3.96 3.69 1.13 -1.26 -4.97 117.38 116.41 1xsq n GLN 24 Ca 0.27 0.90 -0.32 0.00 -1.94 0.00 0.00 57.00 55.90 1xsq n GLN 24 Cb 0.19 -5.38 -0.05 0.00 0.11 0.00 0.00 30.24 25.11 1xsq n GLN 24 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsq s ARG 25 N -4.27 3.31 0.45 -1.09 1.81 -0.53 -5.08 118.95 113.55 1xsq s ARG 25 Ca 0.00 -0.42 -0.24 0.00 -1.72 0.00 0.00 55.73 53.35 1xsq s ARG 25 Cb 0.00 -3.00 -0.07 0.00 -0.45 0.00 0.00 34.95 31.43 1xsq s ARG 25 CO 0.00 0.64 1.23 -0.51 -0.68 0.00 0.00 175.30 175.98 1xsq s ASP 26 N -2.11 6.10 0.14 0.23 1.01 -1.26 -5.03 116.67 115.75 1xsq s ASP 26 Ca 0.29 2.47 -0.08 0.00 0.71 0.00 0.00 52.55 55.93 1xsq s ASP 26 Cb -0.13 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.18 1xsq s ASP 26 CO 0.21 -0.98 0.24 0.72 0.21 0.00 0.00 175.17 175.57 1xsq s PHE 27 N -1.42 0.35 -0.10 4.23 -0.12 -1.26 -4.05 117.98 115.62 1xsq s PHE 27 Ca 0.62 -0.74 -0.02 0.00 -0.05 0.00 0.00 56.93 56.75 1xsq s PHE 27 Cb -0.33 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 41.95 1xsq s PHE 27 CO 0.41 -0.66 -0.03 -0.06 -0.05 0.00 0.00 175.22 174.83 1xsq s PHE 28 N -3.94 3.05 -0.22 3.49 0.08 -0.44 -4.90 117.98 115.10 1xsq s PHE 28 Ca 0.14 0.00 -0.27 0.00 0.12 0.00 0.00 56.93 56.93 1xsq s PHE 28 Cb 0.04 -1.81 -0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1xsq s PHE 28 CO -0.03 0.28 0.92 -1.01 -0.10 0.00 0.00 175.22 175.28 1xsq s HIS 29 N -0.50 3.35 0.02 0.36 3.76 -1.26 -1.12 115.29 119.89 1xsq s HIS 29 Ca 0.08 1.30 -0.01 0.00 -0.15 0.00 0.00 55.06 56.29 1xsq s HIS 29 Cb -0.12 -3.14 -0.01 0.00 1.11 0.00 0.00 32.58 30.43 1xsq s HIS 29 CO 0.02 -0.40 -0.02 -0.89 -0.85 0.00 0.00 174.74 172.60 1xsq n ILE 30 N 5.18 0.51 -1.66 0.60 5.41 -1.26 -4.99 119.36 123.15 1xsq n ILE 30 Ca 0.08 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.96 1xsq n ILE 30 Cb 0.47 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1xsq n ILE 30 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1xsq n VAL 35 N -3.25 -5.45 -3.92 1.39 0.31 -1.26 -5.04 118.33 101.10 1xsq n VAL 35 Ca -0.03 2.47 -0.35 0.00 -0.01 0.00 0.00 64.34 66.43 1xsq n VAL 35 Cb 0.35 -3.37 -0.14 0.00 -0.91 0.00 0.00 33.84 29.77 1xsq n VAL 35 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1xsq s GLU 36 N -3.39 2.89 -0.51 5.55 2.02 -1.26 -4.96 118.70 119.04 1xsq s GLU 36 Ca 0.00 -0.95 -0.18 0.00 0.02 0.00 0.00 54.97 53.86 1xsq s GLU 36 Cb 0.00 -3.05 0.07 0.00 0.10 0.00 0.00 34.13 31.25 1xsq s GLU 36 CO 0.00 -0.40 0.55 0.50 0.02 0.00 0.00 175.26 175.93 1xsq s ARG 37 N 1.36 3.06 -0.87 1.61 3.52 -0.28 -4.89 118.95 122.46 1xsq s ARG 37 Ca 0.01 -1.12 -0.21 0.00 -0.13 0.00 0.00 55.73 54.27 1xsq s ARG 37 Cb -0.17 -4.14 0.09 0.00 -1.56 0.00 0.00 34.95 29.18 1xsq s ARG 37 CO -0.03 -1.20 1.18 0.71 -0.81 0.00 0.00 175.30 175.15 1xsq s TYR 38 N 2.27 2.80 0.58 5.12 1.51 -1.26 -1.33 117.35 127.04 1xsq s TYR 38 Ca 0.11 -0.95 -0.13 0.00 -1.01 0.00 0.00 57.07 55.09 1xsq s TYR 38 Cb -0.22 -4.41 -0.05 0.00 -0.11 0.00 0.00 41.96 37.16 1xsq s TYR 38 CO 0.09 -1.68 1.00 -3.38 -1.11 0.00 0.00 175.55 170.47 1xsq s HIS 39 N 3.81 3.57 -1.36 2.71 -3.43 -1.26 -4.50 115.29 114.83 1xsq s HIS 39 Ca 0.34 1.33 -0.16 0.00 -0.80 0.00 0.00 55.06 55.77 1xsq s HIS 39 Cb -0.07 -2.73 0.02 0.00 -1.43 0.00 0.00 32.58 28.37 1xsq s HIS 39 CO -0.03 -0.56 0.40 -0.25 -2.00 0.00 0.00 174.74 172.30 1xsq n ASP 40 N -2.32 -1.81 0.17 7.38 10.43 -1.26 -4.87 116.55 124.27 1xsq n ASP 40 Ca 0.06 -1.23 0.06 0.00 2.57 0.00 0.00 54.79 56.25 1xsq n ASP 40 Cb 0.54 -1.99 0.08 0.00 1.84 0.00 0.00 41.12 41.59 1xsq n ASP 40 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1xsq h LEU 41 N -2.15 0.00 -7.06 0.64 3.38 -1.94 -3.46 115.31 104.73 1xsq h LEU 41 Ca -0.68 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.23 1xsq h LEU 41 Cb 1.40 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.94 1xsq h LEU 41 CO 0.60 0.32 0.10 0.00 0.09 0.00 0.00 178.44 179.55 1xsq s ALA 42 N -3.05 -1.66 -0.30 1.53 0.00 -1.26 -4.45 121.76 112.56 1xsq s ALA 42 Ca 0.05 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.49 1xsq s ALA 42 Cb 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1xsq s ALA 42 CO 0.72 -0.34 0.08 -1.17 0.00 0.00 0.00 175.76 175.05 1xsq s LEU 43 N -0.43 3.93 -0.22 0.00 2.96 -1.26 -5.08 118.68 118.58 1xsq s LEU 43 Ca -0.06 -0.81 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 1xsq s LEU 43 Cb -0.03 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 1xsq s LEU 43 CO 0.05 -0.22 0.62 -0.69 -1.32 0.00 0.00 176.35 174.79 1xsq s VAL 44 N 1.47 5.01 -0.17 1.68 1.01 -1.26 -4.94 120.40 123.20 1xsq s VAL 44 Ca 0.02 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1xsq s VAL 44 Cb -0.18 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1xsq s VAL 44 CO 0.02 0.08 0.01 -1.61 0.00 0.00 0.00 175.10 173.60 1xsq s GLU 45 N 2.15 0.86 -0.20 2.72 2.02 -1.26 -5.02 118.70 119.97 1xsq s GLU 45 Ca 0.27 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.87 1xsq s GLU 45 Cb -0.16 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.17 1xsq s GLU 45 CO 0.09 -0.55 -0.12 0.42 0.02 0.00 0.00 175.26 175.13 1xsq s ILE 46 N 1.80 1.72 0.00 -1.63 1.01 -1.26 -1.52 121.20 121.32 1xsq s ILE 46 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1xsq s ILE 46 Cb -0.16 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1xsq s ILE 46 CO -0.07 0.21 0.00 -0.11 0.00 0.00 0.00 174.94 174.97 1xsq n LEU 47 N 4.66 0.00 -3.34 2.97 -0.00 -0.36 -4.57 117.00 116.37 1xsq n LEU 47 Ca -0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.62 1xsq n LEU 47 Cb 0.47 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.92 1xsq n LEU 47 CO 0.21 0.00 0.06 1.21 -0.00 0.00 0.00 177.39 178.86 1xsq n GLU 48 N 0.00 -5.30 -4.25 1.96 2.13 -1.26 -2.11 120.64 111.80 1xsq n GLU 48 Ca 0.00 0.76 -0.37 0.00 0.66 0.00 0.00 57.16 58.21 1xsq n GLU 48 Cb 0.00 -5.64 -0.05 0.00 0.27 0.00 0.00 31.44 26.02 1xsq n GLU 48 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xsq n GLN 49 N -4.27 -1.85 -3.51 5.31 1.13 -1.26 -4.93 117.38 108.01 1xsq n GLN 49 Ca -0.05 0.23 -0.24 0.00 -1.94 0.00 0.00 57.00 55.00 1xsq n GLN 49 Cb 0.58 -4.87 -0.02 0.00 0.11 0.00 0.00 30.24 26.04 1xsq n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xsq s ASP 50 N -3.15 6.32 0.53 1.08 1.01 -0.90 -5.09 116.67 116.47 1xsq s ASP 50 Ca 0.74 0.40 -0.11 0.00 0.71 0.00 0.00 52.55 54.29 1xsq s ASP 50 Cb -0.42 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1xsq s ASP 50 CO 0.90 -0.22 0.93 0.00 0.21 0.00 0.00 175.17 176.99 1xsq s THR 52 N -2.84 4.60 0.03 0.00 2.01 -1.26 -3.80 115.64 114.38 1xsq s THR 52 Ca 0.54 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.64 1xsq s THR 52 Cb -0.10 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1xsq s THR 52 CO 0.44 -0.30 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.21 1xsq s LEU 53 N 1.55 3.02 -0.17 4.42 1.43 0.03 -4.97 118.68 123.99 1xsq s LEU 53 Ca 0.02 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1xsq s LEU 53 Cb -0.20 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1xsq s LEU 53 CO 0.06 0.25 0.05 -0.63 0.23 0.00 0.00 176.35 176.31 1xsq s ILE 54 N -1.03 4.65 0.31 -0.59 1.01 -1.26 -2.32 121.20 121.96 1xsq s ILE 54 Ca 0.18 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1xsq s ILE 54 Cb -0.11 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1xsq s ILE 54 CO 0.08 0.48 0.29 -0.94 0.00 0.00 0.00 174.94 174.86 1xsq s SER 55 N 0.22 1.30 -0.07 3.58 1.04 -0.02 -4.99 113.70 114.76 1xsq s SER 55 Ca 0.03 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.81 1xsq s SER 55 Cb -0.12 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1xsq s SER 55 CO 0.01 -1.06 -0.05 -0.63 0.98 0.00 0.00 173.24 172.48 1xsq s ILE 56 N -3.51 0.68 -0.27 -1.02 1.01 -1.26 0.11 121.20 116.94 1xsq s ILE 56 Ca 0.39 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 1xsq s ILE 56 Cb 0.03 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1xsq s ILE 56 CO 0.24 0.28 0.04 0.20 0.00 0.00 0.00 174.94 175.70 1xsq s ASN 57 N 1.32 4.89 -0.47 3.58 0.01 -0.36 -4.91 114.94 119.00 1xsq s ASN 57 Ca -0.04 -0.60 -0.19 0.00 -0.71 0.00 0.00 52.86 51.32 1xsq s ASN 57 Cb -0.14 -1.84 0.04 0.00 0.41 0.00 0.00 41.25 39.73 1xsq s ASN 57 CO -0.03 -0.13 0.58 -0.60 -1.51 0.00 0.00 177.10 175.41 1xsq s ARG 58 N 1.49 3.15 -0.11 -0.60 3.52 -1.26 -0.62 118.95 124.51 1xsq s ARG 58 Ca 0.03 -0.76 -0.03 0.00 -0.13 0.00 0.00 55.73 54.84 1xsq s ARG 58 Cb -0.16 -4.04 -0.03 0.00 -1.56 0.00 0.00 34.95 29.16 1xsq s ARG 58 CO 0.01 -1.08 0.02 0.00 -0.81 0.00 0.00 175.30 173.43 1xsq s ALA 59 N 2.53 3.31 0.41 6.12 0.00 -0.17 -4.95 121.76 129.01 1xsq s ALA 59 Ca 0.16 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 1xsq s ALA 59 Cb -0.18 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 1xsq s ALA 59 CO 0.14 0.47 1.02 -0.65 0.00 0.00 0.00 175.76 176.73 1xsq s GLN 60 N -0.50 4.15 0.38 0.00 -1.52 -1.26 -1.77 119.66 119.15 1xsq s GLN 60 Ca 0.09 1.39 -0.25 0.00 -1.95 0.00 0.00 55.36 54.64 1xsq s GLN 60 Cb -0.12 -2.42 -0.09 0.00 -0.22 0.00 0.00 33.01 30.16 1xsq s GLN 60 CO 0.02 -0.13 1.12 -1.25 -0.25 0.00 0.00 175.29 174.80 1xsq s PRO 61 N -2.71 4.18 0.02 2.91 0.04 -1.26 -2.55 135.00 135.64 1xsq s PRO 61 Ca 0.59 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 1xsq s PRO 61 Cb -0.18 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 1xsq s PRO 61 CO 0.23 -0.18 0.28 0.00 0.04 0.00 0.00 177.00 177.37 1xsq s ALA 62 N -1.45 3.84 -0.01 8.56 0.00 -0.36 -4.89 121.76 127.45 1xsq s ALA 62 Ca 0.55 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1xsq s ALA 62 Cb -0.28 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1xsq s ALA 62 CO 0.35 0.65 0.11 0.54 0.00 0.00 0.00 175.76 177.41 1xsq s ASN 63 N -1.78 5.86 0.52 0.00 2.20 -1.26 -4.44 114.94 116.03 1xsq s ASN 63 Ca 0.29 0.20 -0.21 0.00 -0.94 0.00 0.00 52.86 52.20 1xsq s ASN 63 Cb -0.13 -1.73 -0.06 0.00 -2.00 0.00 0.00 41.25 37.33 1xsq s ASN 63 CO 0.17 0.27 1.18 -0.76 -2.94 0.00 0.00 177.10 175.03 1xsq s LEU 64 N -1.78 3.83 0.38 3.54 2.01 -1.26 -4.26 118.68 121.14 1xsq s LEU 64 Ca 0.24 2.33 -0.16 0.00 0.01 0.00 0.00 54.13 56.55 1xsq s LEU 64 Cb -0.12 -4.43 -0.09 0.00 0.01 0.00 0.00 46.19 41.56 1xsq s LEU 64 CO 0.15 -1.23 0.81 -2.16 1.01 0.00 0.00 176.35 174.93 1xsq s PRO 65 N -3.05 4.01 -0.12 1.29 0.04 -1.26 -5.16 135.00 130.74 1xsq s PRO 65 Ca 0.70 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 1xsq s PRO 65 Cb -0.29 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1xsq s PRO 65 CO 0.33 0.04 0.04 -0.51 0.04 0.00 0.00 177.00 176.94 1xsq s LEU 66 N -3.29 3.75 0.01 -3.56 1.43 -1.26 -5.07 118.68 110.69 1xsq s LEU 66 Ca 0.56 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 1xsq s LEU 66 Cb -0.10 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1xsq s LEU 66 CO 0.20 0.31 -0.07 0.28 0.23 0.00 0.00 176.35 177.31 1xsq s THR 67 N -0.46 0.51 0.12 5.49 -1.32 -1.26 -1.85 115.64 116.86 1xsq s THR 67 Ca 0.09 -0.48 0.05 0.00 -1.21 0.00 0.00 61.69 60.14 1xsq s THR 67 Cb -0.12 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.36 1xsq s THR 67 CO 0.02 0.00 -0.13 0.27 -2.21 0.00 0.00 174.62 172.58 1xsq s ILE 68 N -0.46 1.21 0.00 5.08 -4.36 -0.79 -4.96 121.20 116.92 1xsq s ILE 68 Ca -0.01 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 1xsq s ILE 68 Cb -0.04 -1.49 0.00 0.00 1.25 0.00 0.00 42.46 42.18 1xsq s ILE 68 CO -0.00 -0.47 0.56 0.00 0.24 0.00 0.00 174.94 175.27 1xsq n HIS 69 N 0.52 0.00 -3.45 1.37 1.44 -1.26 -0.59 115.22 113.26 1xsq n HIS 69 Ca -0.15 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.44 1xsq n HIS 69 Cb 0.57 0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.67 1xsq n HIS 69 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1xsq s GLU 70 N 0.00 1.15 0.05 -1.40 -1.05 -1.26 -0.36 118.70 115.83 1xsq s GLU 70 Ca 0.00 -0.37 0.01 0.00 -0.15 0.00 0.00 54.97 54.46 1xsq s GLU 70 Cb 0.00 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.20 1xsq s GLU 70 CO 0.00 -0.49 -0.06 -0.51 0.95 0.00 0.00 175.26 175.15 1xsq s LEU 71 N -2.54 2.33 0.30 1.83 1.43 0.44 -4.76 118.68 117.70 1xsq s LEU 71 Ca 0.01 -0.67 0.11 0.00 -1.03 0.00 0.00 54.13 52.55 1xsq s LEU 71 Cb -0.01 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 1xsq s LEU 71 CO -0.10 -0.33 -0.17 -1.83 0.23 0.00 0.00 176.35 174.15 1xsq s GLU 72 N -2.24 1.73 -0.00 1.70 -1.05 0.78 -1.37 118.70 118.24 1xsq s GLU 72 Ca -0.06 -1.81 -0.14 0.00 -0.15 0.00 0.00 54.97 52.81 1xsq s GLU 72 Cb -0.05 -1.76 0.02 0.00 -0.44 0.00 0.00 34.13 31.90 1xsq s GLU 72 CO -0.02 0.28 0.31 -0.98 0.95 0.00 0.00 175.26 175.79 1xsq s ARG 73 N -3.54 0.70 -0.49 -4.83 1.70 -0.25 -0.88 118.95 111.35 1xsq s ARG 73 Ca 0.31 -0.27 -0.07 0.00 -0.47 0.00 0.00 55.73 55.24 1xsq s ARG 73 Cb -0.03 0.31 0.13 0.00 -0.57 0.00 0.00 34.95 34.78 1xsq s ARG 73 CO 0.15 -0.20 0.34 -1.01 -1.08 0.00 0.00 175.30 173.51 1xsq s HIS 74 N -1.60 3.49 0.30 5.89 3.76 -1.26 -0.98 115.29 124.88 1xsq s HIS 74 Ca -0.12 -2.17 0.00 0.00 -0.15 0.00 0.00 55.06 52.62 1xsq s HIS 74 Cb -0.04 -3.39 0.52 0.00 1.11 0.00 0.00 32.58 30.77 1xsq s HIS 74 CO 0.03 -0.97 1.90 -1.35 -0.85 0.00 0.00 174.74 173.50 1xsq h PRO 75 N 8.08 1.02 -0.33 8.40 0.11 -1.91 0.67 132.00 148.03 1xsq h PRO 75 Ca -0.14 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.79 1xsq h PRO 75 Cb 1.05 -0.23 -0.07 0.00 0.11 0.00 0.00 31.00 31.86 1xsq h PRO 75 CO 0.79 0.67 -0.02 1.28 -0.21 0.00 0.00 178.00 180.51 1xsq n LEU 76 N -4.50 4.09 -3.54 2.35 4.77 -1.26 -4.02 117.00 114.88 1xsq n LEU 76 Ca 0.14 -3.45 -0.08 0.00 -0.03 0.00 0.00 56.01 52.60 1xsq n LEU 76 Cb 0.21 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1xsq n LEU 76 CO 0.32 1.00 0.80 -0.83 -1.33 0.00 0.00 177.39 177.36 1xsq s GLY 77 N -2.26 -0.37 0.58 -0.72 0.00 -1.21 -1.22 107.32 102.12 1xsq s GLY 77 Ca 0.44 1.40 -0.05 0.00 0.00 0.00 0.00 44.72 46.52 1xsq s GLY 77 CO 0.04 0.54 0.88 -0.51 0.00 0.00 0.00 173.10 174.04 1xsq s THR 78 N -2.51 3.42 -0.11 0.90 -4.23 -0.58 -4.17 115.64 108.36 1xsq s THR 78 Ca 0.05 -0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1xsq s THR 78 Cb -0.01 -3.36 0.06 0.00 1.34 0.00 0.00 72.50 70.53 1xsq s THR 78 CO -0.06 -0.34 0.23 -1.58 -0.54 0.00 0.00 174.62 172.32 1xsq s GLN 79 N -4.95 0.12 -0.00 3.99 0.74 -1.09 -4.51 119.66 113.96 1xsq s GLN 79 Ca 0.54 0.65 0.04 0.00 0.05 0.00 0.00 55.36 56.65 1xsq s GLN 79 Cb -0.10 -0.12 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 1xsq s GLN 79 CO 0.44 -0.27 -0.12 0.00 -0.55 0.00 0.00 175.29 174.79 1xsq s ALA 80 N 2.19 2.82 -0.06 1.58 0.00 -0.57 -0.22 121.76 127.49 1xsq s ALA 80 Ca 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 1xsq s ALA 80 Cb -0.12 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1xsq s ALA 80 CO -0.08 0.59 -0.02 -0.06 0.00 0.00 0.00 175.76 176.19 1xsq s PHE 81 N -0.91 0.77 -0.13 0.00 0.40 0.09 -1.76 117.98 116.43 1xsq s PHE 81 Ca 0.15 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1xsq s PHE 81 Cb -0.11 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.67 1xsq s PHE 81 CO 0.05 -0.29 -0.05 0.42 0.70 0.00 0.00 175.22 176.05 1xsq s ILE 82 N 1.53 0.92 0.00 0.64 1.09 -0.12 -1.22 121.20 124.03 1xsq s ILE 82 Ca -0.01 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.17 1xsq s ILE 82 Cb -0.13 -1.05 0.00 0.00 -1.06 0.00 0.00 42.46 40.22 1xsq s ILE 82 CO -0.03 0.22 0.00 -0.81 -0.10 0.00 0.00 174.94 174.22 1xsq n PRO 83 N 4.96 1.23 0.00 2.79 -0.04 -1.26 -0.29 135.00 142.39 1xsq n PRO 83 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1xsq n PRO 83 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1xsq n PRO 83 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xsq n LYS 85 N 0.00 0.00 -1.60 0.54 4.76 -1.26 -4.82 118.16 115.77 1xsq n LYS 85 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1xsq n LYS 85 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1xsq n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xsq n GLY 86 N 0.00 0.82 3.80 0.72 0.00 -1.26 -5.00 105.19 104.27 1xsq n GLY 86 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1xsq n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsq s GLU 87 N -3.44 3.68 0.09 1.61 8.01 -1.26 -4.47 118.70 122.92 1xsq s GLU 87 Ca 0.00 1.28 -0.15 0.00 0.01 0.00 0.00 54.97 56.11 1xsq s GLU 87 Cb 0.00 -2.08 -0.06 0.00 -4.31 0.00 0.00 34.13 27.67 1xsq s GLU 87 CO 0.00 -0.52 0.50 0.08 0.01 0.00 0.00 175.26 175.33 1xsq s VAL 88 N -2.18 4.91 0.21 2.63 1.01 -1.26 -4.12 120.40 121.60 1xsq s VAL 88 Ca 0.65 0.85 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 1xsq s VAL 88 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1xsq s VAL 88 CO 0.26 0.39 0.30 0.72 0.00 0.00 0.00 175.10 176.76 1xsq s PHE 89 N -1.29 0.69 -0.06 5.22 -0.12 -1.26 -4.14 117.98 117.02 1xsq s PHE 89 Ca 0.32 -1.00 0.04 0.00 -0.05 0.00 0.00 56.93 56.24 1xsq s PHE 89 Cb -0.16 -0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.04 1xsq s PHE 89 CO 0.18 -0.79 -0.16 0.08 -0.05 0.00 0.00 175.22 174.47 1xsq s VAL 90 N -4.06 2.87 0.06 -2.49 1.01 -1.26 -1.25 120.40 115.29 1xsq s VAL 90 Ca 0.28 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1xsq s VAL 90 Cb 0.03 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1xsq s VAL 90 CO 0.08 0.58 -0.16 0.68 0.00 0.00 0.00 175.10 176.28 1xsq s VAL 91 N -0.56 1.29 -0.07 2.92 -7.23 0.03 -4.86 120.40 111.92 1xsq s VAL 91 Ca 0.08 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1xsq s VAL 91 Cb -0.11 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.65 1xsq s VAL 91 CO 0.01 -0.07 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.94 1xsq s VAL 92 N -1.06 1.06 0.12 1.32 1.01 -1.26 -0.55 120.40 121.04 1xsq s VAL 92 Ca 0.02 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1xsq s VAL 92 Cb -0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1xsq s VAL 92 CO 0.02 0.35 -0.09 0.68 0.00 0.00 0.00 175.10 176.05 1xsq s VAL 93 N 0.89 1.01 -0.08 2.92 -7.23 -0.32 -2.55 120.40 115.03 1xsq s VAL 93 Ca -0.10 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 57.89 1xsq s VAL 93 Cb -0.15 -1.68 0.06 0.00 0.56 0.00 0.00 36.38 35.17 1xsq s VAL 93 CO 0.01 -0.72 0.60 0.00 -0.31 0.00 0.00 175.10 174.68 1xsq s ALA 94 N -3.14 -1.55 0.10 1.32 0.00 -0.38 -1.31 121.76 116.80 1xsq s ALA 94 Ca 0.12 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1xsq s ALA 94 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1xsq s ALA 94 CO -0.01 -0.34 0.00 1.28 0.00 0.00 0.00 175.76 176.70 1xsq n LEU 95 N 1.32 0.00 0.00 0.00 4.77 -1.26 -1.17 117.00 120.66 1xsq n LEU 95 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1xsq n LEU 95 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1xsq n LEU 95 CO 0.20 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1xsq n GLY 96 N 5.00 3.19 0.28 -0.72 0.00 -1.26 -0.47 105.19 111.20 1xsq n GLY 96 Ca 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1xsq n GLY 96 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xsq h ASP 97 N 0.00 0.91 -0.00 1.61 3.45 -1.98 -3.34 116.42 117.08 1xsq h ASP 97 Ca 0.00 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1xsq h ASP 97 Cb 0.00 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.53 1xsq h ASP 97 CO 0.00 0.92 -0.21 0.47 -1.57 0.00 0.00 179.24 178.86 1xsq n ASP 98 N -4.34 0.34 -3.58 6.45 8.00 -1.26 -5.06 116.55 117.09 1xsq n ASP 98 Ca 0.03 -0.67 -0.05 0.00 0.71 0.00 0.00 54.79 54.81 1xsq n ASP 98 Cb 0.26 0.91 -0.02 0.00 -0.02 0.00 0.00 41.12 42.25 1xsq n ASP 98 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1xsq s LYS 99 N -1.37 0.68 0.09 -1.24 -2.85 -1.25 -5.13 119.74 108.67 1xsq s LYS 99 Ca 0.02 -0.29 -0.32 0.00 -1.00 0.00 0.00 55.97 54.38 1xsq s LYS 99 Cb 0.04 0.28 -0.12 0.00 -2.06 0.00 0.00 37.83 35.98 1xsq s LYS 99 CO 0.19 -0.30 1.79 -2.30 0.10 0.00 0.00 175.35 174.83 1xsq n PRO 100 N -0.27 2.56 -2.86 1.78 -0.02 -1.26 -4.13 135.00 130.80 1xsq n PRO 100 Ca -0.06 0.93 -0.43 0.00 -2.02 0.00 0.00 63.50 61.92 1xsq n PRO 100 Cb 0.61 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 1xsq n PRO 100 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xsq s ASP 101 N 2.59 6.35 0.55 2.55 3.68 0.37 -4.91 116.67 127.86 1xsq s ASP 101 Ca 0.83 -1.38 0.36 0.00 2.13 0.00 0.00 52.55 54.49 1xsq s ASP 101 Cb -0.56 -2.42 1.52 0.00 -1.45 0.00 0.00 42.92 40.01 1xsq s ASP 101 CO 0.40 -1.32 1.78 -0.07 0.13 0.00 0.00 175.17 176.09 1xsq h LEU 102 N 11.13 0.00 -0.71 -1.34 3.38 -1.91 0.43 115.31 126.29 1xsq h LEU 102 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xsq h LEU 102 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xsq h LEU 102 CO 1.17 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.16 1xsq n SER 103 N -4.08 0.64 -0.52 -0.43 3.41 -1.26 -1.99 113.62 109.39 1xsq n SER 103 Ca 0.24 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.59 1xsq n SER 103 Cb 1.24 -0.80 0.05 0.00 -0.26 0.00 0.00 64.21 64.44 1xsq n SER 103 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xsq n THR 104 N -2.21 0.00 -2.04 6.66 -2.24 0.15 -4.99 114.28 109.61 1xsq n THR 104 Ca 0.02 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1xsq n THR 104 Cb 0.22 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 1xsq n THR 104 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xsq s LEU 105 N -1.23 4.35 0.06 3.22 2.96 -0.84 -4.48 118.68 122.72 1xsq s LEU 105 Ca 0.16 2.35 -0.05 0.00 -0.22 0.00 0.00 54.13 56.37 1xsq s LEU 105 Cb 0.11 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 1xsq s LEU 105 CO 0.19 -0.82 0.08 -0.13 -1.32 0.00 0.00 176.35 174.35 1xsq s ARG 106 N 2.45 0.68 -0.01 1.98 0.52 -0.43 -5.01 118.95 119.14 1xsq s ARG 106 Ca 0.70 -1.00 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1xsq s ARG 106 Cb -0.37 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 1xsq s ARG 106 CO 0.30 -0.17 -0.14 0.00 0.02 0.00 0.00 175.30 175.30 1xsq s ALA 107 N -3.53 1.20 0.04 2.13 0.00 -1.25 -1.18 121.76 119.16 1xsq s ALA 107 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1xsq s ALA 107 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1xsq s ALA 107 CO -0.09 0.29 -0.08 -0.06 0.00 0.00 0.00 175.76 175.82 1xsq s PHE 108 N -0.39 0.69 -0.09 0.00 0.08 0.29 -1.49 117.98 117.08 1xsq s PHE 108 Ca 0.05 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.71 1xsq s PHE 108 Cb -0.06 -0.41 -0.00 0.00 -0.57 0.00 0.00 43.02 41.97 1xsq s PHE 108 CO -0.00 -0.06 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.32 1xsq s ILE 109 N -1.17 2.14 0.94 0.64 2.07 -0.24 -0.79 121.20 124.78 1xsq s ILE 109 Ca -0.07 -1.01 -0.14 0.00 -1.41 0.00 0.00 60.65 58.02 1xsq s ILE 109 Cb -0.09 -1.81 0.16 0.00 0.13 0.00 0.00 42.46 40.86 1xsq s ILE 109 CO 0.00 0.56 1.20 0.42 -1.91 0.00 0.00 174.94 175.22 1xsq s THR 110 N 0.18 1.95 -1.98 4.00 -4.23 -0.38 -1.52 115.64 113.66 1xsq s THR 110 Ca -0.14 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.56 1xsq s THR 110 Cb -0.17 -2.86 0.35 0.00 1.34 0.00 0.00 72.50 71.16 1xsq s THR 110 CO 0.07 0.00 1.28 -0.46 -0.54 0.00 0.00 174.62 174.97 1xsq n ASN 111 N -3.78 3.12 0.00 3.99 0.23 -1.26 -4.61 115.26 112.95 1xsq n ASN 111 Ca 0.11 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 1xsq n ASN 111 Cb 0.60 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1xsq n ASN 111 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xsq n GLY 112 N 1.17 1.28 0.26 4.83 0.00 -1.26 -4.85 105.19 106.61 1xsq n GLY 112 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1xsq n GLY 112 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xsq n GLU 113 N -2.00 1.96 -4.24 1.61 -0.58 -1.26 -4.08 120.64 112.06 1xsq n GLU 113 Ca 0.00 -2.45 -0.21 0.00 -0.42 0.00 0.00 57.16 54.08 1xsq n GLU 113 Cb 0.00 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.26 1xsq n GLU 113 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1xsq s GLN 114 N -2.49 0.99 0.39 3.49 -0.21 -1.26 -4.54 119.66 116.03 1xsq s GLN 114 Ca 0.29 -1.08 0.04 0.00 0.02 0.00 0.00 55.36 54.63 1xsq s GLN 114 Cb 0.24 -1.13 -0.05 0.00 1.00 0.00 0.00 33.01 33.07 1xsq s GLN 114 CO 0.04 0.26 0.05 0.20 -2.12 0.00 0.00 175.29 173.72 1xsq s GLY 115 N -1.86 2.43 0.06 3.09 0.00 0.25 -4.53 107.32 106.76 1xsq s GLY 115 Ca 0.03 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 43.04 1xsq s GLY 115 CO 0.03 -1.95 -0.06 -1.34 0.00 0.00 0.00 173.10 169.78 1xsq s VAL 116 N -3.06 0.50 -0.17 1.40 -7.23 -0.36 -0.64 120.40 110.84 1xsq s VAL 116 Ca 0.29 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 58.97 1xsq s VAL 116 Cb 0.07 -1.08 0.05 0.00 0.56 0.00 0.00 36.38 35.98 1xsq s VAL 116 CO 0.14 -0.66 0.02 0.21 -0.31 0.00 0.00 175.10 174.50 1xsq s ASN 117 N -2.28 2.69 0.02 4.85 3.04 -0.37 -0.73 114.94 122.16 1xsq s ASN 117 Ca -0.00 -0.69 -0.30 0.00 0.04 0.00 0.00 52.86 51.91 1xsq s ASN 117 Cb -0.02 -0.60 -0.04 0.00 -1.54 0.00 0.00 41.25 39.05 1xsq s ASN 117 CO -0.03 -0.28 1.05 -0.31 -3.04 0.00 0.00 177.10 174.50 1xsq s TYR 118 N 1.85 3.59 0.79 0.43 2.02 0.69 -1.09 117.35 125.63 1xsq s TYR 118 Ca 0.00 1.57 -0.12 0.00 -0.37 0.00 0.00 57.07 58.15 1xsq s TYR 118 Cb -0.16 -3.22 0.07 0.00 -0.40 0.00 0.00 41.96 38.25 1xsq s TYR 118 CO -0.07 -0.43 1.14 -1.01 -1.57 0.00 0.00 175.55 173.60 1xsq s HIS 119 N 1.00 2.14 0.61 2.71 3.76 -0.62 -2.68 115.29 122.22 1xsq s HIS 119 Ca 0.54 1.64 -0.19 0.00 -0.15 0.00 0.00 55.06 56.90 1xsq s HIS 119 Cb -0.24 -3.27 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 1xsq s HIS 119 CO 0.28 -2.31 1.31 2.89 -0.85 0.00 0.00 174.74 176.05 1xsq n ARG 120 N -3.39 1.30 -0.91 1.40 1.85 -1.26 -2.52 116.66 113.13 1xsq n ARG 120 Ca 0.11 0.50 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 1xsq n ARG 120 Cb 0.52 -2.54 0.00 0.00 -1.05 0.00 0.00 32.46 29.39 1xsq n ARG 120 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1xsq n ASN 121 N -1.57 -3.62 -4.76 2.89 5.15 0.22 -4.98 115.26 108.60 1xsq n ASN 121 Ca 0.14 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.73 1xsq n ASN 121 Cb 0.47 -2.24 -0.05 0.00 -0.53 0.00 0.00 39.78 37.43 1xsq n ASN 121 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xsq s VAL 122 N -1.53 4.88 0.26 3.44 1.01 -1.05 -4.87 120.40 122.55 1xsq s VAL 122 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 1xsq s VAL 122 Cb 0.00 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1xsq s VAL 122 CO 0.00 0.40 1.02 0.26 0.00 0.00 0.00 175.10 176.78 1xsq s TRP 123 N -0.10 3.78 0.21 5.22 0.52 -0.32 -4.44 118.94 123.81 1xsq s TRP 123 Ca 0.33 1.80 -0.16 0.00 0.02 0.00 0.00 56.10 58.09 1xsq s TRP 123 Cb -0.19 -3.14 0.02 0.00 -1.15 0.00 0.00 33.47 29.01 1xsq s TRP 123 CO 0.18 -0.07 0.52 -3.38 0.02 0.00 0.00 176.95 174.22 1xsq s HIS 124 N -1.16 0.00 0.11 -1.98 -3.43 -0.06 -1.25 115.29 107.51 1xsq s HIS 124 Ca 0.43 -0.36 -0.12 0.00 -0.80 0.00 0.00 55.06 54.21 1xsq s HIS 124 Cb -0.29 0.35 -0.06 0.00 -1.43 0.00 0.00 32.58 31.15 1xsq s HIS 124 CO 0.37 -0.95 0.46 -1.58 -2.00 0.00 0.00 174.74 171.04 1xsq s HIS 125 N -3.91 3.59 0.49 0.38 2.46 -1.06 -0.15 115.29 117.09 1xsq s HIS 125 Ca 0.12 0.91 -0.21 0.00 0.47 0.00 0.00 55.06 56.35 1xsq s HIS 125 Cb -0.01 -2.25 -0.10 0.00 -0.13 0.00 0.00 32.58 30.09 1xsq s HIS 125 CO 0.01 0.48 0.68 -2.30 -2.47 0.00 0.00 174.74 171.14 1xsq n PRO 126 N 0.87 0.76 -1.70 2.88 -0.02 -1.26 -4.85 135.00 131.68 1xsq n PRO 126 Ca -0.07 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 1xsq n PRO 126 Cb 0.52 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.23 1xsq n PRO 126 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1xsq n LEU 127 N 0.64 3.53 -3.54 2.45 0.00 -1.26 -5.03 117.00 113.79 1xsq n LEU 127 Ca 0.11 1.18 -0.16 0.00 0.00 0.00 0.00 56.01 57.15 1xsq n LEU 127 Cb 0.43 -1.48 -0.06 0.00 0.00 0.00 0.00 43.42 42.31 1xsq n LEU 127 CO 0.53 -0.41 0.36 0.72 0.00 0.00 0.00 177.39 178.60 1xsq s PHE 128 N -0.71 -0.55 0.44 1.96 -0.12 -1.26 -5.02 117.98 112.73 1xsq s PHE 128 Ca 0.60 0.82 0.07 0.00 -0.05 0.00 0.00 56.93 58.37 1xsq s PHE 128 Cb -0.58 0.38 0.01 0.00 -0.63 0.00 0.00 43.02 42.20 1xsq s PHE 128 CO 0.58 -0.62 0.61 0.00 -0.05 0.00 0.00 175.22 175.73 1xsq s ALA 129 N -1.74 4.39 -0.12 1.99 0.00 -1.06 -4.66 121.76 120.56 1xsq s ALA 129 Ca -0.09 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1xsq s ALA 129 Cb -0.01 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1xsq s ALA 129 CO 0.05 -0.36 -0.13 -0.46 0.00 0.00 0.00 175.76 174.85 1xsq s TRP 130 N -2.42 1.95 0.00 0.00 -0.11 -1.26 -1.23 118.94 115.86 1xsq s TRP 130 Ca 0.55 -1.00 0.00 0.00 1.22 0.00 0.00 56.10 56.87 1xsq s TRP 130 Cb -0.10 -1.45 0.00 0.00 -1.50 0.00 0.00 33.47 30.42 1xsq s TRP 130 CO 0.34 -0.56 0.00 1.04 -4.62 0.00 0.00 176.95 173.15 1xsq n GLN 131 N 4.56 0.00 -3.56 5.86 6.02 -1.26 -4.76 117.38 124.23 1xsq n GLN 131 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.71 1xsq n GLN 131 Cb 0.51 -3.68 -0.05 0.00 1.02 0.00 0.00 30.24 28.04 1xsq n GLN 131 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1xsq s ARG 132 N 0.00 0.67 0.09 -1.09 1.70 -1.26 -4.98 118.95 114.07 1xsq s ARG 132 Ca 0.00 0.11 -0.33 0.00 -0.47 0.00 0.00 55.73 55.03 1xsq s ARG 132 Cb 0.00 0.31 -0.12 0.00 -0.57 0.00 0.00 34.95 34.57 1xsq s ARG 132 CO 0.00 -0.22 1.73 0.28 -1.08 0.00 0.00 175.30 176.01 1xsq n VAL 133 N 0.64 0.24 -4.83 4.99 0.31 -1.26 -4.31 118.33 114.10 1xsq n VAL 133 Ca -0.11 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 63.92 1xsq n VAL 133 Cb 0.58 -1.79 -0.16 0.00 -0.91 0.00 0.00 33.84 31.56 1xsq n VAL 133 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xsq s THR 134 N 2.16 1.41 -0.27 2.52 2.01 -0.73 -4.97 115.64 117.77 1xsq s THR 134 Ca 0.83 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.97 1xsq s THR 134 Cb -0.62 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1xsq s THR 134 CO 0.41 0.40 0.32 -1.81 -0.69 0.00 0.00 174.62 173.25 1xsq s ASP 135 N -0.12 6.19 -0.25 3.53 -0.00 -1.26 -1.00 116.67 123.77 1xsq s ASP 135 Ca -0.00 0.21 -0.07 0.00 -0.00 0.00 0.00 52.55 52.68 1xsq s ASP 135 Cb -0.10 -2.18 -0.03 0.00 -0.00 0.00 0.00 42.92 40.61 1xsq s ASP 135 CO 0.01 -0.14 0.07 -0.36 -0.00 0.00 0.00 175.17 174.75 1xsq s PHE 136 N 1.93 3.08 -0.02 4.23 0.08 0.21 -4.44 117.98 123.05 1xsq s PHE 136 Ca 0.13 -0.43 -0.30 0.00 0.12 0.00 0.00 56.93 56.45 1xsq s PHE 136 Cb -0.16 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.01 1xsq s PHE 136 CO 0.10 -0.36 1.42 -1.17 -0.10 0.00 0.00 175.22 175.12 1xsq s LEU 137 N 1.59 4.31 -0.07 -0.37 2.96 0.60 -1.23 118.68 126.47 1xsq s LEU 137 Ca 0.06 2.10 0.04 0.00 -0.22 0.00 0.00 54.13 56.12 1xsq s LEU 137 Cb -0.15 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1xsq s LEU 137 CO 0.03 -0.75 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.23 1xsq s THR 138 N 2.65 2.52 -0.21 3.68 2.01 0.12 -0.95 115.64 125.46 1xsq s THR 138 Ca 0.64 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 1xsq s THR 138 Cb -0.31 -1.97 0.05 0.00 0.01 0.00 0.00 72.50 70.28 1xsq s THR 138 CO 0.26 0.57 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.09 1xsq s ILE 139 N -0.19 1.19 0.00 1.82 1.09 -0.72 -0.84 121.20 123.55 1xsq s ILE 139 Ca -0.02 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 58.63 1xsq s ILE 139 Cb -0.13 -1.48 0.00 0.00 -1.06 0.00 0.00 42.46 39.78 1xsq s ILE 139 CO 0.03 -0.05 0.00 -0.90 -0.10 0.00 0.00 174.94 173.92 1xsq n ASP 140 N 4.81 0.00 -4.13 3.58 5.68 -0.98 -1.51 116.55 124.00 1xsq n ASP 140 Ca -0.11 -0.60 -0.29 0.00 -0.50 0.00 0.00 54.79 53.29 1xsq n ASP 140 Cb 0.46 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.62 1xsq n ASP 140 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xsq s ARG 141 N -0.80 0.64 0.00 0.11 1.04 -1.26 -0.79 118.95 117.90 1xsq s ARG 141 Ca 0.00 -0.62 0.00 0.00 -1.04 0.00 0.00 55.73 54.07 1xsq s ARG 141 Cb 0.00 -1.92 0.00 0.00 -2.04 0.00 0.00 34.95 30.99 1xsq s ARG 141 CO 0.00 -2.36 0.00 0.41 -0.04 0.00 0.00 175.30 173.31 1xsq n GLY 142 N -3.66 1.64 3.42 3.88 0.00 -1.25 -4.72 105.19 104.50 1xsq n GLY 142 Ca 0.16 0.42 -0.38 0.00 0.00 0.00 0.00 46.02 46.22 1xsq n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xsq s ASP 145 N 0.00 5.41 -0.71 1.61 3.68 -1.26 -4.41 116.67 120.98 1xsq s ASP 145 Ca 0.00 -0.52 0.03 0.00 2.13 0.00 0.00 52.55 54.19 1xsq s ASP 145 Cb 0.00 -1.97 0.33 0.00 -1.45 0.00 0.00 42.92 39.84 1xsq s ASP 145 CO 0.00 -0.17 1.21 0.59 0.13 0.00 0.00 175.17 176.92 1xsq n ASN 146 N 4.95 5.34 -4.41 -0.34 3.02 -1.26 -5.04 115.26 117.52 1xsq n ASN 146 Ca -0.14 -3.69 -0.25 0.00 -0.03 0.00 0.00 54.58 50.47 1xsq n ASN 146 Cb 0.49 -0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 38.81 1xsq n ASN 146 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsq s ASP 148 N -2.84 7.25 -0.13 0.00 1.01 -0.16 -4.87 116.67 116.93 1xsq s ASP 148 Ca 0.21 1.48 0.02 0.00 0.71 0.00 0.00 52.55 54.97 1xsq s ASP 148 Cb -0.07 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1xsq s ASP 148 CO 0.10 0.21 -0.20 -0.69 0.21 0.00 0.00 175.17 174.80 1xsq s VAL 149 N -0.98 1.90 -0.02 -1.27 1.01 -1.26 -1.09 120.40 118.69 1xsq s VAL 149 Ca 0.33 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1xsq s VAL 149 Cb -0.21 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1xsq s VAL 149 CO 0.23 0.52 -0.04 -0.70 0.00 0.00 0.00 175.10 175.11 1xsq s GLU 150 N 0.84 0.48 0.41 2.72 2.56 -0.47 -5.01 118.70 120.23 1xsq s GLU 150 Ca -0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.97 54.67 1xsq s GLU 150 Cb -0.15 -0.50 -0.06 0.00 2.00 0.00 0.00 34.13 35.42 1xsq s GLU 150 CO -0.01 0.04 0.76 -1.54 -0.56 0.00 0.00 175.26 173.94 1xsq s SER 151 N 0.24 6.48 0.15 -1.70 1.04 -1.26 -0.42 113.70 118.22 1xsq s SER 151 Ca -0.02 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1xsq s SER 151 Cb -0.06 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 1xsq s SER 151 CO -0.00 -0.41 0.02 0.27 0.98 0.00 0.00 173.24 174.09 1xsq s ILE 152 N -2.41 0.42 0.50 -1.02 -4.36 0.51 -4.88 121.20 109.96 1xsq s ILE 152 Ca 0.50 -1.94 -0.23 0.00 -0.26 0.00 0.00 60.65 58.72 1xsq s ILE 152 Cb -0.10 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.50 1xsq s ILE 152 CO 0.33 -0.52 1.33 -2.65 0.24 0.00 0.00 174.94 173.67 1xsq n PRO 153 N -0.15 1.84 -1.60 0.37 -0.02 -1.26 -4.45 135.00 129.72 1xsq n PRO 153 Ca -0.07 0.66 -0.50 0.00 -2.02 0.00 0.00 63.50 61.58 1xsq n PRO 153 Cb 0.63 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1xsq n PRO 153 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xsq n GLU 154 N -0.55 1.35 -4.84 -0.52 2.13 -1.26 -4.74 120.64 112.21 1xsq n GLU 154 Ca 0.08 0.48 -0.33 0.00 0.66 0.00 0.00 57.16 58.06 1xsq n GLU 154 Cb 0.43 -2.11 -0.14 0.00 0.27 0.00 0.00 31.44 29.89 1xsq n GLU 154 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1xsq s GLN 155 N 0.25 3.00 -0.39 5.31 -1.52 0.24 -4.83 119.66 121.72 1xsq s GLN 155 Ca 0.80 -0.69 -0.11 0.00 -1.95 0.00 0.00 55.36 53.40 1xsq s GLN 155 Cb -0.87 -2.52 0.04 0.00 -0.22 0.00 0.00 33.01 29.45 1xsq s GLN 155 CO 0.47 0.39 0.24 -1.21 -0.25 0.00 0.00 175.29 174.93 1xsq s GLU 156 N -0.12 2.79 0.15 2.91 2.02 -1.26 -1.89 118.70 123.31 1xsq s GLU 156 Ca -0.01 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 1xsq s GLU 156 Cb -0.14 -3.79 -0.08 0.00 0.10 0.00 0.00 34.13 30.22 1xsq s GLU 156 CO 0.04 -0.79 1.29 -0.51 0.02 0.00 0.00 175.26 175.31 1xsq s LEU 157 N 1.54 4.40 -0.13 1.80 1.02 -0.77 -0.99 118.68 125.54 1xsq s LEU 157 Ca 0.02 2.28 0.02 0.00 0.02 0.00 0.00 54.13 56.47 1xsq s LEU 157 Cb -0.20 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.41 1xsq s LEU 157 CO 0.06 -0.52 -0.19 0.00 0.02 0.00 0.00 176.35 175.72 1xsq n PHE 159 N 3.87 0.00 -2.89 0.00 3.01 -1.26 -0.77 117.46 119.42 1xsq n PHE 159 Ca -0.19 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.93 1xsq n PHE 159 Cb 0.52 -0.40 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 1xsq n PHE 159 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xsq s ALA 160 N -3.34 3.15 0.00 4.37 0.00 -1.26 -4.91 121.76 119.76 1xsq s ALA 160 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1xsq s ALA 160 Cb 0.13 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1xsq s ALA 160 CO 0.85 0.19 0.00 1.28 0.00 0.00 0.00 175.76 178.08