#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 5.01 -0.04 -0.35 2.96 0.40 -4.85 118.68 121.82 1xsq s LEU 3 Ca 0.00 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 51.99 1xsq s LEU 3 Cb 0.00 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1xsq s LEU 3 CO 0.00 -0.50 1.33 -1.58 -1.32 0.00 0.00 176.35 174.28 1xsq s GLN 4 N 1.32 4.30 -0.27 1.98 2.00 -1.26 -1.36 119.66 126.37 1xsq s GLN 4 Ca 0.03 1.85 -0.24 0.00 -2.00 0.00 0.00 55.36 55.00 1xsq s GLN 4 Cb -0.23 -3.61 -0.00 0.00 0.80 0.00 0.00 33.01 29.98 1xsq s GLN 4 CO -0.00 -0.56 0.80 0.08 -0.50 0.00 0.00 175.29 175.11 1xsq s VAL 5 N 2.52 4.82 0.30 1.34 1.01 0.16 -4.38 120.40 126.18 1xsq s VAL 5 Ca 0.61 1.37 0.08 0.00 0.00 0.00 0.00 61.98 64.03 1xsq s VAL 5 Cb -0.28 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1xsq s VAL 5 CO 0.24 -0.15 0.17 -0.76 0.00 0.00 0.00 175.10 174.60 1xsq s LEU 6 N 2.88 3.49 0.28 3.92 1.43 -0.70 -4.79 118.68 125.19 1xsq s LEU 6 Ca 0.33 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1xsq s LEU 6 Cb -0.15 -2.03 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 1xsq s LEU 6 CO 0.10 -0.19 1.60 -2.84 0.23 0.00 0.00 176.35 175.25 1xsq s PRO 7 N -3.86 4.13 0.16 1.29 0.02 -1.26 -0.81 135.00 134.68 1xsq s PRO 7 Ca 0.36 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.65 1xsq s PRO 7 Cb -0.06 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.36 1xsq s PRO 7 CO 0.24 -0.64 1.13 -1.17 -0.33 0.00 0.00 177.00 176.23 1xsq s LEU 8 N -0.30 4.47 0.02 -5.54 2.96 -0.70 -4.78 118.68 114.81 1xsq s LEU 8 Ca 0.64 2.10 -0.08 0.00 -0.22 0.00 0.00 54.13 56.57 1xsq s LEU 8 Cb -0.48 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.61 1xsq s LEU 8 CO 0.46 -0.28 0.16 -0.94 -1.32 0.00 0.00 176.35 174.43 1xsq s SER 9 N 0.08 0.05 0.19 3.68 1.04 -1.26 -4.89 113.70 112.60 1xsq s SER 9 Ca 0.51 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.50 1xsq s SER 9 Cb -0.30 0.25 0.12 0.00 0.10 0.00 0.00 66.02 66.19 1xsq s SER 9 CO 0.35 -0.48 1.82 -0.61 0.98 0.00 0.00 173.24 175.30 1xsq h GLN 10 N 3.79 0.92 -0.49 4.02 5.75 -1.96 -1.31 115.11 125.84 1xsq h GLN 10 Ca -0.32 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.07 1xsq h GLN 10 Cb 1.19 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 1xsq h GLN 10 CO 0.46 0.67 0.21 1.05 -2.65 0.00 0.00 178.83 178.57 1xsq h GLU 11 N 0.92 0.69 0.00 1.69 4.11 -1.99 0.15 114.58 120.14 1xsq h GLU 11 Ca 0.24 -0.09 -0.10 0.00 0.07 0.00 0.00 59.36 59.48 1xsq h GLU 11 Cb -0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1xsq h GLU 11 CO -0.04 0.56 -0.67 0.00 0.07 0.00 0.00 179.01 178.93 1xsq h ALA 12 N 1.54 0.69 0.00 1.06 0.00 -1.90 -3.34 119.26 117.31 1xsq h ALA 12 Ca 0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1xsq h ALA 12 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xsq h ALA 12 CO -0.02 0.59 -1.50 0.34 0.00 0.00 0.00 179.25 178.66 1xsq n PHE 13 N -3.11 0.55 -0.29 0.00 7.35 -0.52 -4.54 117.46 116.90 1xsq n PHE 13 Ca -0.00 0.16 0.34 0.00 -0.76 0.00 0.00 57.45 57.19 1xsq n PHE 13 Cb 0.73 -0.80 0.71 0.00 0.35 0.00 0.00 39.48 40.47 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 0.00 1.21 -2.13 4.64 -0.81 0.34 113.55 116.81 1xsq h SER 14 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1xsq h SER 14 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1xsq h SER 14 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1xsq n ALA 15 N -2.63 2.20 -0.02 5.18 0.00 -1.26 -3.79 120.51 120.20 1xsq n ALA 15 Ca 0.25 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.67 1xsq n ALA 15 Cb 1.30 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.00 0.00 -1.26 0.00 4.01 0.11 -4.99 117.16 113.04 1xsq n TYR 16 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1xsq n TYR 16 Cb 0.37 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 2.12 -0.61 3.18 2.72 0.00 -0.79 -1.17 105.19 110.64 1xsq n GLY 17 Ca -0.06 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 1.88 -0.19 1.61 1.01 -0.18 -3.75 116.67 113.05 1xsq s ASP 18 Ca 0.00 -0.51 -0.16 0.00 0.71 0.00 0.00 52.55 52.58 1xsq s ASP 18 Cb 0.00 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 1xsq s ASP 18 CO 0.00 0.04 0.41 -0.69 0.21 0.00 0.00 175.17 175.14 1xsq s VAL 19 N -0.93 5.19 -0.51 -1.27 1.01 -1.26 -0.88 120.40 121.75 1xsq s VAL 19 Ca 0.02 0.75 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 1xsq s VAL 19 Cb -0.09 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1xsq s VAL 19 CO 0.02 0.26 0.73 -0.63 0.00 0.00 0.00 175.10 175.48 1xsq s ILE 20 N 1.20 4.72 0.30 2.22 1.01 0.68 -4.89 121.20 126.43 1xsq s ILE 20 Ca 0.20 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 1xsq s ILE 20 Cb -0.15 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 37.98 1xsq s ILE 20 CO 0.08 -0.88 0.73 -1.83 0.00 0.00 0.00 174.94 173.04 1xsq s GLU 21 N 3.06 1.86 -0.05 2.79 -1.05 -1.26 -1.03 118.70 123.02 1xsq s GLU 21 Ca 0.21 -1.07 0.11 0.00 -0.15 0.00 0.00 54.97 54.07 1xsq s GLU 21 Cb -0.17 0.61 -0.17 0.00 -0.44 0.00 0.00 34.13 33.97 1xsq s GLU 21 CO 0.15 -0.85 0.18 0.25 0.95 0.00 0.00 175.26 175.94 1xsq n THR 22 N -0.47 0.25 -1.63 1.83 -2.24 -1.26 -4.87 114.28 105.89 1xsq n THR 22 Ca -0.05 -0.33 -0.52 0.00 -2.27 0.00 0.00 64.05 60.88 1xsq n THR 22 Cb 0.59 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.07 1.52 -1.90 -0.78 -0.06 -1.26 -1.78 117.38 111.05 1xsq n GLN 23 Ca -0.07 0.53 -0.20 0.00 -2.00 0.00 0.00 57.00 55.25 1xsq n GLN 23 Cb 0.49 -2.42 -0.06 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 6.70 -1.55 -3.95 3.69 1.13 -1.26 -4.98 117.38 117.17 1xsq n GLN 24 Ca 0.29 1.12 -0.34 0.00 -1.94 0.00 0.00 57.00 56.13 1xsq n GLN 24 Cb 0.22 -5.60 -0.06 0.00 0.11 0.00 0.00 30.24 24.91 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 -4.22 3.36 0.49 -1.09 1.81 -0.74 -5.08 118.95 113.49 1xsq s ARG 25 Ca 0.00 -0.30 -0.23 0.00 -1.72 0.00 0.00 55.73 53.48 1xsq s ARG 25 Cb 0.00 -3.07 -0.06 0.00 -0.45 0.00 0.00 34.95 31.37 1xsq s ARG 25 CO 0.00 0.70 1.27 -0.51 -0.68 0.00 0.00 175.30 176.08 1xsq s ASP 26 N -1.62 5.75 0.15 0.23 1.01 -1.26 -5.02 116.67 115.92 1xsq s ASP 26 Ca 0.23 2.57 -0.10 0.00 0.71 0.00 0.00 52.55 55.96 1xsq s ASP 26 Cb -0.12 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.18 1xsq s ASP 26 CO 0.13 -1.22 0.29 0.72 0.21 0.00 0.00 175.17 175.30 1xsq s PHE 27 N -1.40 0.30 -0.12 4.23 -0.12 -1.26 -4.00 117.98 115.61 1xsq s PHE 27 Ca 0.67 -0.67 -0.04 0.00 -0.05 0.00 0.00 56.93 56.84 1xsq s PHE 27 Cb -0.35 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 41.99 1xsq s PHE 27 CO 0.43 -0.71 0.01 -0.06 -0.05 0.00 0.00 175.22 174.84 1xsq s PHE 28 N -3.94 3.18 -0.21 3.49 0.08 -0.15 -4.90 117.98 115.53 1xsq s PHE 28 Ca 0.14 0.10 -0.28 0.00 0.12 0.00 0.00 56.93 57.01 1xsq s PHE 28 Cb 0.03 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1xsq s PHE 28 CO -0.02 0.33 0.98 -1.01 -0.10 0.00 0.00 175.22 175.40 1xsq s HIS 29 N -0.42 3.37 0.01 0.36 3.76 -1.26 -1.05 115.29 120.05 1xsq s HIS 29 Ca 0.08 1.41 -0.04 0.00 -0.15 0.00 0.00 55.06 56.36 1xsq s HIS 29 Cb -0.12 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.36 1xsq s HIS 29 CO 0.02 -0.41 -0.08 -0.89 -0.85 0.00 0.00 174.74 172.53 1xsq n ILE 30 N 5.15 0.99 -1.79 0.60 2.08 -1.26 -4.99 119.36 120.15 1xsq n ILE 30 Ca 0.10 0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.69 1xsq n ILE 30 Cb 0.47 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 1xsq n ILE 30 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1xsq n VAL 35 N -3.47 -6.73 -3.77 1.39 0.31 -1.26 -5.15 118.33 99.65 1xsq n VAL 35 Ca -0.03 2.61 -0.37 0.00 -0.01 0.00 0.00 64.34 66.54 1xsq n VAL 35 Cb 0.12 -3.65 -0.13 0.00 -0.91 0.00 0.00 33.84 29.27 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 -2.00 3.10 -0.47 5.55 2.02 -1.26 -4.95 118.70 120.68 1xsq s GLU 36 Ca 0.00 -0.85 -0.18 0.00 0.02 0.00 0.00 54.97 53.96 1xsq s GLU 36 Cb 0.00 -3.36 0.05 0.00 0.10 0.00 0.00 34.13 30.93 1xsq s GLU 36 CO 0.00 -0.44 0.51 0.50 0.02 0.00 0.00 175.26 175.85 1xsq s ARG 37 N 1.50 3.07 -0.87 1.61 3.52 -0.22 -4.90 118.95 122.66 1xsq s ARG 37 Ca 0.03 -0.99 -0.20 0.00 -0.13 0.00 0.00 55.73 54.43 1xsq s ARG 37 Cb -0.17 -4.07 0.11 0.00 -1.56 0.00 0.00 34.95 29.25 1xsq s ARG 37 CO 0.02 -1.07 1.12 0.71 -0.81 0.00 0.00 175.30 175.28 1xsq s TYR 38 N 2.20 2.94 0.58 5.12 1.51 -1.26 -0.97 117.35 127.46 1xsq s TYR 38 Ca 0.11 -1.11 -0.14 0.00 -1.01 0.00 0.00 57.07 54.92 1xsq s TYR 38 Cb -0.20 -4.33 -0.05 0.00 -0.11 0.00 0.00 41.96 37.27 1xsq s TYR 38 CO 0.11 -1.58 1.01 -3.38 -1.11 0.00 0.00 175.55 170.60 1xsq s HIS 39 N 3.29 3.45 -1.35 2.71 -3.43 -1.26 -4.48 115.29 114.22 1xsq s HIS 39 Ca 0.31 1.40 -0.20 0.00 -0.80 0.00 0.00 55.06 55.78 1xsq s HIS 39 Cb -0.07 -2.79 0.03 0.00 -1.43 0.00 0.00 32.58 28.31 1xsq s HIS 39 CO -0.04 -0.62 0.41 -0.25 -2.00 0.00 0.00 174.74 172.23 1xsq n ASP 40 N -2.18 -2.03 0.13 7.38 8.00 -1.26 -4.87 116.55 121.72 1xsq n ASP 40 Ca 0.07 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1xsq n ASP 40 Cb 0.54 -1.73 0.07 0.00 -0.02 0.00 0.00 41.12 39.98 1xsq n ASP 40 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1xsq h LEU 41 N -2.27 0.00 -7.16 0.64 3.38 -1.94 -3.46 115.31 104.50 1xsq h LEU 41 Ca -0.69 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.20 1xsq h LEU 41 Cb 1.40 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.95 1xsq h LEU 41 CO 0.60 0.63 0.02 0.00 0.09 0.00 0.00 178.44 179.77 1xsq s ALA 42 N -3.12 -1.45 -0.20 1.53 0.00 -1.26 -4.56 121.76 112.70 1xsq s ALA 42 Ca 0.02 1.22 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 1xsq s ALA 42 Cb 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1xsq s ALA 42 CO 0.76 -0.32 -0.01 -1.17 0.00 0.00 0.00 175.76 175.02 1xsq s LEU 43 N -0.70 3.14 -0.24 0.00 2.96 -1.26 -5.08 118.68 117.49 1xsq s LEU 43 Ca -0.08 -0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 1xsq s LEU 43 Cb -0.03 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1xsq s LEU 43 CO 0.06 0.04 0.58 -0.69 -1.32 0.00 0.00 176.35 175.02 1xsq s VAL 44 N 1.13 5.03 -0.22 1.68 1.01 -1.26 -4.95 120.40 122.82 1xsq s VAL 44 Ca 0.02 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.06 1xsq s VAL 44 Cb -0.14 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1xsq s VAL 44 CO 0.01 0.08 -0.10 -0.70 0.00 0.00 0.00 175.10 174.39 1xsq s GLU 45 N 2.20 2.10 -0.10 2.72 2.12 -1.26 -5.02 118.70 121.46 1xsq s GLU 45 Ca 0.25 -1.00 0.04 0.00 0.36 0.00 0.00 54.97 54.61 1xsq s GLU 45 Cb -0.16 -2.59 -0.00 0.00 0.26 0.00 0.00 34.13 31.64 1xsq s GLU 45 CO 0.09 -0.48 -0.23 0.42 -0.54 0.00 0.00 175.26 174.52 1xsq s ILE 46 N 1.31 2.14 0.13 -3.70 -1.09 -1.26 -1.48 121.20 117.25 1xsq s ILE 46 Ca -0.04 -1.00 0.03 0.00 -2.23 0.00 0.00 60.65 57.41 1xsq s ILE 46 Cb -0.17 -1.81 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 1xsq s ILE 46 CO -0.07 0.56 0.23 -0.76 -1.23 0.00 0.00 174.94 173.67 1xsq s LEU 47 N 0.26 4.21 -1.52 2.97 1.43 0.84 -4.57 118.68 122.30 1xsq s LEU 47 Ca -0.16 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1xsq s LEU 47 Cb -0.17 -2.80 0.07 0.00 0.03 0.00 0.00 46.19 43.32 1xsq s LEU 47 CO 0.08 0.08 0.78 -0.62 0.23 0.00 0.00 176.35 176.90 1xsq n GLU 48 N -0.33 -4.39 -3.65 1.70 1.02 -1.26 -4.90 120.64 108.84 1xsq n GLU 48 Ca -0.07 0.51 -0.03 0.00 -0.02 0.00 0.00 57.16 57.55 1xsq n GLU 48 Cb 0.54 -5.15 -0.07 0.00 -0.02 0.00 0.00 31.44 26.74 1xsq n GLU 48 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1xsq s GLN 49 N -6.59 0.25 -0.09 3.49 0.74 -1.26 -5.05 119.66 111.14 1xsq s GLN 49 Ca 0.45 0.36 0.14 0.00 0.05 0.00 0.00 55.36 56.36 1xsq s GLN 49 Cb -0.23 0.08 0.55 0.00 1.10 0.00 0.00 33.01 34.50 1xsq s GLN 49 CO 0.86 -0.04 1.42 -0.25 -0.55 0.00 0.00 175.29 176.73 1xsq n ASP 50 N 2.79 3.73 -3.83 6.67 10.43 -1.26 -4.89 116.55 130.19 1xsq n ASP 50 Ca -0.15 -2.34 -0.10 0.00 2.57 0.00 0.00 54.79 54.77 1xsq n ASP 50 Cb 0.57 -0.50 -0.08 0.00 1.84 0.00 0.00 41.12 42.94 1xsq n ASP 50 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xsq s THR 52 N -2.78 3.28 -0.08 0.00 2.01 -1.26 -4.90 115.64 111.91 1xsq s THR 52 Ca -0.03 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1xsq s THR 52 Cb -0.00 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1xsq s THR 52 CO -0.05 0.25 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.31 1xsq s LEU 53 N -1.77 3.20 -0.17 4.42 2.01 0.03 -4.98 118.68 121.42 1xsq s LEU 53 Ca 0.18 -0.02 -0.05 0.00 0.01 0.00 0.00 54.13 54.24 1xsq s LEU 53 Cb -0.11 -1.71 -0.03 0.00 0.01 0.00 0.00 46.19 44.35 1xsq s LEU 53 CO 0.10 0.34 0.01 -0.63 1.01 0.00 0.00 176.35 177.17 1xsq s ILE 54 N -0.68 4.29 0.28 -0.59 1.01 -1.26 -2.14 121.20 122.11 1xsq s ILE 54 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 1xsq s ILE 54 Cb -0.11 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1xsq s ILE 54 CO 0.02 0.48 0.30 -0.94 0.00 0.00 0.00 174.94 174.79 1xsq s SER 55 N 0.39 0.76 -0.08 3.58 1.04 -0.31 -4.99 113.70 114.09 1xsq s SER 55 Ca -0.01 -1.47 0.01 0.00 0.48 0.00 0.00 55.95 54.96 1xsq s SER 55 Cb -0.13 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1xsq s SER 55 CO 0.02 -1.05 -0.09 -0.63 0.98 0.00 0.00 173.24 172.46 1xsq s ILE 56 N -3.67 1.02 -0.31 -1.02 1.01 -1.26 0.32 121.20 117.29 1xsq s ILE 56 Ca 0.36 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1xsq s ILE 56 Cb 0.03 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1xsq s ILE 56 CO 0.18 0.35 0.08 0.20 0.00 0.00 0.00 174.94 175.75 1xsq s ASN 57 N 1.17 5.16 -0.47 3.58 0.01 -0.42 -4.91 114.94 119.06 1xsq s ASN 57 Ca -0.05 -0.83 -0.22 0.00 -0.71 0.00 0.00 52.86 51.05 1xsq s ASN 57 Cb -0.14 -1.87 0.03 0.00 0.41 0.00 0.00 41.25 39.68 1xsq s ASN 57 CO -0.02 -0.23 0.73 -0.60 -1.51 0.00 0.00 177.10 175.47 1xsq s ARG 58 N 1.47 3.30 -0.08 -0.60 3.52 -1.26 -0.71 118.95 124.58 1xsq s ARG 58 Ca 0.01 -0.37 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 1xsq s ARG 58 Cb -0.18 -3.99 -0.03 0.00 -1.56 0.00 0.00 34.95 29.19 1xsq s ARG 58 CO 0.02 -1.16 -0.01 0.00 -0.81 0.00 0.00 175.30 173.34 1xsq s ALA 59 N 3.11 3.23 0.49 6.12 0.00 0.24 -4.94 121.76 130.01 1xsq s ALA 59 Ca 0.25 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1xsq s ALA 59 Cb -0.14 -1.43 -0.08 0.00 0.00 0.00 0.00 23.12 21.47 1xsq s ALA 59 CO 0.19 0.59 0.96 -0.65 0.00 0.00 0.00 175.76 176.84 1xsq s GLN 60 N -0.87 3.96 0.53 0.00 -1.52 -1.26 -1.62 119.66 118.89 1xsq s GLN 60 Ca 0.13 0.92 -0.19 0.00 -1.95 0.00 0.00 55.36 54.27 1xsq s GLN 60 Cb -0.11 -2.17 -0.06 0.00 -0.22 0.00 0.00 33.01 30.45 1xsq s GLN 60 CO 0.02 -0.22 1.07 -1.25 -0.25 0.00 0.00 175.29 174.66 1xsq s PRO 61 N -3.94 3.52 0.55 2.91 0.04 -1.26 -1.15 135.00 135.66 1xsq s PRO 61 Ca 0.58 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 1xsq s PRO 61 Cb -0.10 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1xsq s PRO 61 CO 0.29 -0.67 1.05 0.00 0.04 0.00 0.00 177.00 177.71 1xsq s ALA 62 N -2.04 2.80 -0.28 8.56 0.00 -0.75 -4.81 121.76 125.24 1xsq s ALA 62 Ca 0.68 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 52.91 1xsq s ALA 62 Cb -0.19 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1xsq s ALA 62 CO 0.27 -0.62 0.63 1.21 0.00 0.00 0.00 175.76 177.25 1xsq s ASN 63 N -2.49 6.54 0.16 0.00 2.47 -1.26 -4.81 114.94 115.55 1xsq s ASN 63 Ca 0.65 0.58 -0.14 0.00 0.42 0.00 0.00 52.86 54.37 1xsq s ASN 63 Cb -0.16 -2.33 -0.07 0.00 -1.45 0.00 0.00 41.25 37.23 1xsq s ASN 63 CO 0.31 -0.42 0.55 -0.76 -3.72 0.00 0.00 177.10 173.06 1xsq s LEU 64 N 2.55 4.31 0.16 3.21 1.43 -1.26 -3.45 118.68 125.63 1xsq s LEU 64 Ca 0.26 1.06 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 1xsq s LEU 64 Cb -0.15 -3.34 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 1xsq s LEU 64 CO 0.10 0.07 1.41 -2.16 0.23 0.00 0.00 176.35 176.00 1xsq s PRO 65 N -2.08 4.31 -0.09 1.29 0.04 -1.26 -5.14 135.00 132.07 1xsq s PRO 65 Ca 0.39 2.14 -0.25 0.00 0.04 0.00 0.00 61.00 63.32 1xsq s PRO 65 Cb -0.14 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1xsq s PRO 65 CO 0.19 -0.42 0.79 -1.17 0.04 0.00 0.00 177.00 176.43 1xsq s LEU 66 N 0.69 4.28 -0.07 -3.56 0.20 -1.22 -5.03 118.68 113.96 1xsq s LEU 66 Ca 0.63 1.27 0.02 0.00 0.69 0.00 0.00 54.13 56.74 1xsq s LEU 66 Cb -0.38 -3.22 0.01 0.00 -0.43 0.00 0.00 46.19 42.17 1xsq s LEU 66 CO 0.33 -0.23 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.13 1xsq s THR 67 N 1.28 1.26 0.18 3.68 2.01 -1.26 -1.90 115.64 120.88 1xsq s THR 67 Ca 0.40 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.95 1xsq s THR 67 Cb -0.18 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1xsq s THR 67 CO 0.18 0.38 -0.11 0.27 -0.69 0.00 0.00 174.62 174.65 1xsq s ILE 68 N 0.65 3.11 0.00 1.82 -4.36 -0.47 -4.97 121.20 116.97 1xsq s ILE 68 Ca -0.15 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1xsq s ILE 68 Cb -0.16 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1xsq s ILE 68 CO 0.04 -0.11 0.55 0.00 0.24 0.00 0.00 174.94 175.67 1xsq n HIS 69 N 0.08 0.00 -3.50 1.37 1.44 -1.26 -1.45 115.22 111.90 1xsq n HIS 69 Ca -0.11 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.49 1xsq n HIS 69 Cb 0.55 0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.65 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 0.92 0.12 -1.40 -1.05 -1.26 -1.81 118.70 114.23 1xsq s GLU 70 Ca 0.00 -0.17 0.05 0.00 -0.15 0.00 0.00 54.97 54.70 1xsq s GLU 70 Cb 0.00 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 1xsq s GLU 70 CO 0.00 -0.37 -0.12 -0.51 0.95 0.00 0.00 175.26 175.21 1xsq s LEU 71 N -2.10 2.44 0.23 1.83 1.43 -0.52 -4.76 118.68 117.23 1xsq s LEU 71 Ca 0.00 -0.87 0.09 0.00 -1.03 0.00 0.00 54.13 52.33 1xsq s LEU 71 Cb -0.01 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 1xsq s LEU 71 CO -0.05 -0.23 -0.17 -1.83 0.23 0.00 0.00 176.35 174.30 1xsq s GLU 72 N -3.01 1.46 0.02 1.70 -1.05 0.90 -1.61 118.70 117.12 1xsq s GLU 72 Ca 0.10 -1.64 -0.13 0.00 -0.15 0.00 0.00 54.97 53.15 1xsq s GLU 72 Cb -0.02 -1.39 0.02 0.00 -0.44 0.00 0.00 34.13 32.30 1xsq s GLU 72 CO 0.02 0.25 0.29 -0.98 0.95 0.00 0.00 175.26 175.78 1xsq s ARG 73 N -3.51 0.75 -0.35 -4.83 1.70 -0.12 -0.53 118.95 112.05 1xsq s ARG 73 Ca 0.25 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.08 1xsq s ARG 73 Cb -0.03 0.32 0.09 0.00 -0.57 0.00 0.00 34.95 34.76 1xsq s ARG 73 CO 0.10 -0.23 0.08 -1.01 -1.08 0.00 0.00 175.30 173.17 1xsq s HIS 74 N -2.15 3.55 0.28 5.89 3.76 -1.26 -1.40 115.29 123.94 1xsq s HIS 74 Ca -0.08 -2.47 0.23 0.00 -0.15 0.00 0.00 55.06 52.59 1xsq s HIS 74 Cb -0.02 -2.78 1.08 0.00 1.11 0.00 0.00 32.58 31.97 1xsq s HIS 74 CO -0.01 -0.92 1.91 -1.35 -0.85 0.00 0.00 174.74 173.52 1xsq h PRO 75 N 7.88 0.00 -0.15 8.40 0.11 -1.92 -0.83 132.00 145.49 1xsq h PRO 75 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1xsq h PRO 75 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xsq h PRO 75 CO 0.59 0.22 0.00 1.28 -0.21 0.00 0.00 178.00 179.88 1xsq n LEU 76 N -3.58 2.01 0.00 2.35 4.77 -1.26 -4.58 117.00 116.70 1xsq n LEU 76 Ca -0.01 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1xsq n LEU 76 Cb 0.36 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1xsq n LEU 76 CO 0.33 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1xsq n GLY 77 N 1.22 1.14 3.78 -0.72 0.00 -1.18 -0.11 105.19 109.32 1xsq n GLY 77 Ca 0.17 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1xsq n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xsq s THR 78 N -2.00 2.83 -0.12 2.61 -4.23 -0.55 -4.36 115.64 109.82 1xsq s THR 78 Ca 0.00 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 1xsq s THR 78 Cb 0.00 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1xsq s THR 78 CO 0.00 -0.35 0.25 -1.58 -0.54 0.00 0.00 174.62 172.39 1xsq s GLN 79 N -5.12 0.13 -0.05 3.99 0.74 -1.03 -4.35 119.66 113.98 1xsq s GLN 79 Ca 0.62 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.75 1xsq s GLN 79 Cb -0.15 -0.07 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 1xsq s GLN 79 CO 0.55 -0.28 -0.08 0.00 -0.55 0.00 0.00 175.29 174.93 1xsq s ALA 80 N 2.32 2.95 -0.07 1.58 0.00 -0.35 -0.42 121.76 127.77 1xsq s ALA 80 Ca 0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1xsq s ALA 80 Cb -0.12 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.86 1xsq s ALA 80 CO -0.08 0.58 -0.03 -0.06 0.00 0.00 0.00 175.76 176.17 1xsq s PHE 81 N -0.85 0.85 -0.12 0.00 0.40 0.11 -1.68 117.98 116.69 1xsq s PHE 81 Ca 0.14 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1xsq s PHE 81 Cb -0.11 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.61 1xsq s PHE 81 CO 0.03 -0.31 -0.06 0.42 0.70 0.00 0.00 175.22 176.00 1xsq s ILE 82 N 1.56 0.92 0.00 0.64 1.09 -0.36 -1.27 121.20 123.78 1xsq s ILE 82 Ca -0.01 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.27 1xsq s ILE 82 Cb -0.13 -0.99 0.00 0.00 -1.06 0.00 0.00 42.46 40.28 1xsq s ILE 82 CO -0.04 0.30 0.00 -0.81 -0.10 0.00 0.00 174.94 174.29 1xsq n PRO 83 N 4.97 1.34 0.00 2.79 -0.04 -1.26 -0.09 135.00 142.70 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 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.70 0.54 4.76 -1.26 -4.82 118.16 115.68 1xsq n LYS 85 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1xsq n LYS 85 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 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 0.98 3.79 0.72 0.00 -1.26 -4.98 105.19 104.43 1xsq n GLY 86 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.74 3.96 0.19 1.61 8.01 -1.26 -4.48 118.70 122.99 1xsq s GLU 87 Ca 0.00 1.48 -0.23 0.00 0.01 0.00 0.00 54.97 56.23 1xsq s GLU 87 Cb 0.00 -2.33 -0.08 0.00 -4.31 0.00 0.00 34.13 27.40 1xsq s GLU 87 CO 0.00 -0.32 0.77 0.08 0.01 0.00 0.00 175.26 175.80 1xsq s VAL 88 N -1.78 4.43 0.23 2.63 1.01 -1.26 -4.28 120.40 121.38 1xsq s VAL 88 Ca 0.63 1.57 -0.05 0.00 0.00 0.00 0.00 61.98 64.13 1xsq s VAL 88 Cb -0.20 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1xsq s VAL 88 CO 0.25 0.40 0.28 0.72 0.00 0.00 0.00 175.10 176.75 1xsq s PHE 89 N -1.30 0.91 -0.01 5.22 -0.12 -1.26 -4.26 117.98 117.15 1xsq s PHE 89 Ca 0.39 -1.16 0.07 0.00 -0.05 0.00 0.00 56.93 56.18 1xsq s PHE 89 Cb -0.21 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 41.89 1xsq s PHE 89 CO 0.24 -0.81 -0.23 0.08 -0.05 0.00 0.00 175.22 174.45 1xsq s VAL 90 N -4.00 2.30 0.08 -2.49 1.01 -1.26 -1.09 120.40 114.95 1xsq s VAL 90 Ca 0.33 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1xsq s VAL 90 Cb 0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1xsq s VAL 90 CO 0.12 0.54 -0.13 0.68 0.00 0.00 0.00 175.10 176.32 1xsq s VAL 91 N -0.67 1.04 -0.06 2.92 -7.23 -0.33 -4.87 120.40 111.20 1xsq s VAL 91 Ca 0.11 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1xsq s VAL 91 Cb -0.10 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.72 1xsq s VAL 91 CO -0.00 -0.33 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.68 1xsq s VAL 92 N -1.62 0.89 0.13 1.32 1.01 -1.26 -0.89 120.40 119.98 1xsq s VAL 92 Ca -0.00 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1xsq s VAL 92 Cb -0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1xsq s VAL 92 CO 0.02 0.31 -0.09 0.68 0.00 0.00 0.00 175.10 176.01 1xsq s VAL 93 N 0.93 1.05 -0.12 2.92 -7.23 -0.18 -2.48 120.40 115.29 1xsq s VAL 93 Ca -0.10 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1xsq s VAL 93 Cb -0.15 -1.79 0.09 0.00 0.56 0.00 0.00 36.38 35.09 1xsq s VAL 93 CO 0.01 -0.77 0.78 0.00 -0.31 0.00 0.00 175.10 174.82 1xsq s ALA 94 N -3.34 -1.82 0.28 1.32 0.00 -0.75 -1.44 121.76 116.00 1xsq s ALA 94 Ca 0.15 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1xsq s ALA 94 Cb 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1xsq s ALA 94 CO -0.01 -0.34 0.19 1.28 0.00 0.00 0.00 175.76 176.88 1xsq n LEU 95 N 1.14 0.00 0.00 0.00 4.77 -1.26 -1.54 117.00 120.11 1xsq n LEU 95 Ca -0.16 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1xsq n LEU 95 Cb 0.57 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1xsq n LEU 95 CO 0.18 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 1xsq n GLY 96 N 3.45 3.30 0.12 -0.72 0.00 -1.26 -0.49 105.19 109.59 1xsq n GLY 96 Ca 0.03 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 0.28 0.00 1.61 5.19 -1.98 -3.40 116.42 118.11 1xsq h ASP 97 Ca 0.00 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1xsq h ASP 97 Cb 0.00 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1xsq h ASP 97 CO 0.00 1.07 -0.56 -0.67 -3.12 0.00 0.00 179.24 175.96 1xsq n ASP 98 N -3.62 1.09 -4.39 6.45 2.03 -1.26 -5.06 116.55 111.80 1xsq n ASP 98 Ca -0.04 0.19 -0.19 0.00 0.52 0.00 0.00 54.79 55.26 1xsq n ASP 98 Cb 0.85 -0.63 -0.10 0.00 -0.72 0.00 0.00 41.12 40.51 1xsq n ASP 98 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1xsq s LYS 99 N -2.07 1.45 0.11 -0.67 1.02 -1.26 -5.09 119.74 113.22 1xsq s LYS 99 Ca -0.16 -1.73 -0.33 0.00 0.02 0.00 0.00 55.97 53.77 1xsq s LYS 99 Cb 0.02 -0.96 -0.12 0.00 -0.52 0.00 0.00 37.83 36.25 1xsq s LYS 99 CO 0.24 0.00 1.73 -2.30 -0.92 0.00 0.00 175.35 174.10 1xsq n PRO 100 N -0.50 2.42 -2.80 -1.68 -0.02 -1.26 -4.39 135.00 126.77 1xsq n PRO 100 Ca -0.06 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 1xsq n PRO 100 Cb 0.63 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 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 2.07 6.19 0.60 2.55 3.68 0.36 -4.91 116.67 127.21 1xsq s ASP 101 Ca 0.82 -0.93 0.29 0.00 2.13 0.00 0.00 52.55 54.86 1xsq s ASP 101 Cb -0.60 -2.45 1.53 0.00 -1.45 0.00 0.00 42.92 39.96 1xsq s ASP 101 CO 0.40 -1.51 1.93 -0.07 0.13 0.00 0.00 175.17 176.05 1xsq h LEU 102 N 11.67 0.00 0.00 -1.34 3.38 -1.90 0.12 115.31 127.23 1xsq h LEU 102 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xsq h LEU 102 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1xsq h LEU 102 CO 1.20 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 178.53 1xsq n SER 103 N -3.56 0.00 -0.30 -0.43 7.64 -1.26 -1.94 113.62 113.78 1xsq n SER 103 Ca 0.05 0.33 0.03 0.00 1.01 0.00 0.00 58.87 60.30 1xsq n SER 103 Cb 0.55 -0.42 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 1xsq n SER 103 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xsq n THR 104 N -1.42 0.35 -2.26 0.44 -2.24 0.40 -5.01 114.28 104.54 1xsq n THR 104 Ca 0.06 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1xsq n THR 104 Cb 0.18 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.70 4.32 0.02 3.22 2.96 -0.82 -4.36 118.68 123.32 1xsq s LEU 105 Ca 0.10 2.08 -0.07 0.00 -0.22 0.00 0.00 54.13 56.02 1xsq s LEU 105 Cb 0.06 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 1xsq s LEU 105 CO 0.08 -0.69 0.13 -0.13 -1.32 0.00 0.00 176.35 174.42 1xsq s ARG 106 N 2.23 0.54 -0.02 1.98 0.52 -0.52 -5.02 118.95 118.66 1xsq s ARG 106 Ca 0.63 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 1xsq s ARG 106 Cb -0.31 0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.36 1xsq s ARG 106 CO 0.26 -0.13 -0.21 0.00 0.02 0.00 0.00 175.30 175.24 1xsq s ALA 107 N -1.91 1.76 0.05 2.13 0.00 -1.26 -1.02 121.76 121.51 1xsq s ALA 107 Ca -0.11 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1xsq s ALA 107 Cb -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1xsq s ALA 107 CO -0.01 0.42 -0.09 -0.06 0.00 0.00 0.00 175.76 176.01 1xsq s PHE 108 N -0.44 0.82 -0.09 0.00 0.08 -0.07 -1.72 117.98 116.56 1xsq s PHE 108 Ca 0.07 -0.49 0.03 0.00 0.12 0.00 0.00 56.93 56.66 1xsq s PHE 108 Cb -0.09 -0.48 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1xsq s PHE 108 CO -0.00 -0.05 -0.19 -1.50 -0.10 0.00 0.00 175.22 173.38 1xsq s ILE 109 N -1.36 1.66 0.96 0.64 2.07 0.01 -1.18 121.20 124.00 1xsq s ILE 109 Ca -0.08 -0.78 -0.14 0.00 -1.41 0.00 0.00 60.65 58.24 1xsq s ILE 109 Cb -0.10 -1.47 0.17 0.00 0.13 0.00 0.00 42.46 41.20 1xsq s ILE 109 CO 0.01 0.47 1.19 0.42 -1.91 0.00 0.00 174.94 175.12 1xsq s THR 110 N 0.54 1.93 -1.69 4.00 -4.23 -0.25 -1.72 115.64 114.21 1xsq s THR 110 Ca -0.16 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.53 1xsq s THR 110 Cb -0.17 -2.81 0.44 0.00 1.34 0.00 0.00 72.50 71.30 1xsq s THR 110 CO 0.06 0.00 1.36 -0.46 -0.54 0.00 0.00 174.62 175.04 1xsq n ASN 111 N -3.87 3.35 0.00 3.99 0.23 -1.26 -4.59 115.26 113.11 1xsq n ASN 111 Ca 0.10 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 1xsq n ASN 111 Cb 0.60 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 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 1.16 1.50 0.29 4.83 0.00 -1.26 -4.84 105.19 106.86 1xsq n GLY 112 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.47 1.61 -0.58 -1.26 -4.14 120.64 111.76 1xsq n GLU 113 Ca 0.00 -2.49 -0.23 0.00 -0.42 0.00 0.00 57.16 54.02 1xsq n GLU 113 Cb 0.00 -1.51 -0.14 0.00 -0.57 0.00 0.00 31.44 29.22 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 -2.55 1.16 0.39 3.49 -0.21 -1.26 -4.56 119.66 116.11 1xsq s GLN 114 Ca 0.30 -0.89 0.05 0.00 0.02 0.00 0.00 55.36 54.84 1xsq s GLN 114 Cb 0.25 -1.24 -0.07 0.00 1.00 0.00 0.00 33.01 32.96 1xsq s GLN 114 CO 0.05 0.31 0.03 0.20 -2.12 0.00 0.00 175.29 173.76 1xsq s GLY 115 N -1.25 2.40 0.07 3.09 0.00 -0.20 -4.59 107.32 106.84 1xsq s GLY 115 Ca 0.05 -2.01 0.03 0.00 0.00 0.00 0.00 44.72 42.78 1xsq s GLY 115 CO 0.02 -1.99 -0.09 -1.34 0.00 0.00 0.00 173.10 169.70 1xsq s VAL 116 N -2.96 0.75 -0.22 1.40 -7.23 -0.39 -0.23 120.40 111.50 1xsq s VAL 116 Ca 0.33 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.03 1xsq s VAL 116 Cb 0.09 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 35.97 1xsq s VAL 116 CO 0.16 -0.53 -0.01 0.21 -0.31 0.00 0.00 175.10 174.61 1xsq s ASN 117 N -2.18 3.53 0.09 4.85 3.04 -0.06 -0.71 114.94 123.50 1xsq s ASN 117 Ca 0.00 -1.08 -0.30 0.00 0.04 0.00 0.00 52.86 51.52 1xsq s ASN 117 Cb -0.04 -0.96 -0.06 0.00 -1.54 0.00 0.00 41.25 38.65 1xsq s ASN 117 CO -0.01 -0.27 1.16 -0.31 -3.04 0.00 0.00 177.10 174.63 1xsq s TYR 118 N 1.57 3.49 0.83 0.43 2.02 0.44 -1.01 117.35 125.10 1xsq s TYR 118 Ca -0.03 1.40 -0.11 0.00 -0.37 0.00 0.00 57.07 57.96 1xsq s TYR 118 Cb -0.18 -3.37 0.09 0.00 -0.40 0.00 0.00 41.96 38.10 1xsq s TYR 118 CO -0.08 -1.03 1.13 -1.01 -1.57 0.00 0.00 175.55 173.00 1xsq s HIS 119 N 0.73 2.06 0.40 2.71 3.76 -0.32 -2.45 115.29 122.18 1xsq s HIS 119 Ca 0.56 1.68 -0.27 0.00 -0.15 0.00 0.00 55.06 56.87 1xsq s HIS 119 Cb -0.29 -3.25 -0.10 0.00 1.11 0.00 0.00 32.58 30.05 1xsq s HIS 119 CO 0.31 -2.38 1.46 -2.13 -0.85 0.00 0.00 174.74 171.15 1xsq n ARG 120 N -3.68 2.51 -0.98 1.40 0.63 -1.26 -2.62 116.66 112.65 1xsq n ARG 120 Ca 0.11 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 1xsq n ARG 120 Cb 0.52 -2.64 0.00 0.00 0.45 0.00 0.00 32.46 30.79 1xsq n ARG 120 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1xsq n ASN 121 N 0.25 -4.03 -4.75 6.15 5.15 -0.33 -4.98 115.26 112.72 1xsq n ASN 121 Ca 0.03 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.62 1xsq n ASN 121 Cb 0.40 -1.86 -0.06 0.00 -0.53 0.00 0.00 39.78 37.73 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 -1.62 5.04 0.33 3.44 1.01 -1.08 -4.82 120.40 122.71 1xsq s VAL 122 Ca 0.00 1.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 1xsq s VAL 122 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 1xsq s VAL 122 CO 0.00 0.38 1.17 0.26 0.00 0.00 0.00 175.10 176.91 1xsq s TRP 123 N 0.14 3.29 0.21 5.22 0.52 -0.59 -4.50 118.94 123.23 1xsq s TRP 123 Ca 0.29 1.58 -0.20 0.00 0.02 0.00 0.00 56.10 57.79 1xsq s TRP 123 Cb -0.17 -3.42 0.04 0.00 -1.15 0.00 0.00 33.47 28.77 1xsq s TRP 123 CO 0.14 -1.11 0.60 -3.38 0.02 0.00 0.00 176.95 173.22 1xsq s HIS 124 N -1.23 -0.24 0.25 -1.98 -3.43 0.31 -1.81 115.29 107.15 1xsq s HIS 124 Ca 0.49 -0.11 -0.19 0.00 -0.80 0.00 0.00 55.06 54.46 1xsq s HIS 124 Cb -0.34 0.52 -0.08 0.00 -1.43 0.00 0.00 32.58 31.25 1xsq s HIS 124 CO 0.43 -0.99 0.73 -1.58 -2.00 0.00 0.00 174.74 171.33 1xsq s HIS 125 N -3.86 3.59 0.52 0.38 2.46 -1.04 -0.07 115.29 117.28 1xsq s HIS 125 Ca 0.08 1.37 -0.21 0.00 0.47 0.00 0.00 55.06 56.76 1xsq s HIS 125 Cb -0.02 -2.61 -0.08 0.00 -0.13 0.00 0.00 32.58 29.74 1xsq s HIS 125 CO -0.02 0.28 0.99 -2.30 -2.47 0.00 0.00 174.74 171.22 1xsq n PRO 126 N 0.50 1.16 -1.87 2.88 -0.02 -1.26 -4.86 135.00 131.53 1xsq n PRO 126 Ca -0.01 0.43 -0.39 0.00 -2.02 0.00 0.00 63.50 61.51 1xsq n PRO 126 Cb 0.51 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1xsq n PRO 126 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1xsq s LEU 127 N -1.34 4.01 0.05 2.45 0.05 -1.26 -5.03 118.68 117.61 1xsq s LEU 127 Ca 0.69 2.77 -0.21 0.00 0.05 0.00 0.00 54.13 57.43 1xsq s LEU 127 Cb -0.48 -4.09 0.05 0.00 -2.05 0.00 0.00 46.19 39.62 1xsq s LEU 127 CO 0.52 -1.27 0.48 0.72 -0.55 0.00 0.00 176.35 176.26 1xsq s PHE 128 N -1.28 -0.37 0.52 3.48 -0.12 -1.26 -4.98 117.98 113.98 1xsq s PHE 128 Ca 0.65 0.38 0.04 0.00 -0.05 0.00 0.00 56.93 57.95 1xsq s PHE 128 Cb -0.40 0.30 0.04 0.00 -0.63 0.00 0.00 43.02 42.33 1xsq s PHE 128 CO 0.50 -0.62 0.73 0.00 -0.05 0.00 0.00 175.22 175.78 1xsq s ALA 129 N -2.48 4.20 -0.18 1.99 0.00 -0.30 -4.71 121.76 120.27 1xsq s ALA 129 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1xsq s ALA 129 Cb -0.01 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.29 1xsq s ALA 129 CO -0.02 -0.67 -0.18 -0.46 0.00 0.00 0.00 175.76 174.43 1xsq s TRP 130 N -2.64 2.80 0.00 0.00 -0.11 -1.26 -1.81 118.94 115.92 1xsq s TRP 130 Ca 0.58 -1.57 0.00 0.00 1.22 0.00 0.00 56.10 56.33 1xsq s TRP 130 Cb -0.09 -1.94 0.00 0.00 -1.50 0.00 0.00 33.47 29.94 1xsq s TRP 130 CO 0.37 -0.78 0.00 1.04 -4.62 0.00 0.00 176.95 172.96 1xsq n GLN 131 N 4.63 0.00 -4.22 5.86 1.13 -1.26 -4.83 117.38 118.69 1xsq n GLN 131 Ca -0.21 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.72 1xsq n GLN 131 Cb 0.50 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.75 1xsq n GLN 131 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsq s ARG 132 N 0.00 0.99 0.20 -1.09 3.00 -1.26 -4.81 118.95 115.98 1xsq s ARG 132 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 55.73 54.00 1xsq s ARG 132 Cb 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 34.95 34.31 1xsq s ARG 132 CO 0.00 0.05 1.60 1.55 0.00 0.00 0.00 175.30 178.50 1xsq n VAL 133 N -0.11 0.26 -4.57 3.52 3.14 -1.26 -4.43 118.33 114.88 1xsq n VAL 133 Ca -0.11 -0.07 -0.22 0.00 -2.96 0.00 0.00 64.34 60.99 1xsq n VAL 133 Cb 0.60 -1.70 -0.15 0.00 -1.06 0.00 0.00 33.84 31.53 1xsq n VAL 133 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1xsq s THR 134 N 0.73 1.01 -0.19 1.55 2.01 -0.64 -4.97 115.64 115.14 1xsq s THR 134 Ca 0.74 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 1xsq s THR 134 Cb -0.60 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1xsq s THR 134 CO 0.39 0.29 0.39 -1.81 -0.69 0.00 0.00 174.62 173.20 1xsq s ASP 135 N -0.14 6.45 -0.25 3.53 -0.00 -1.26 -0.59 116.67 124.40 1xsq s ASP 135 Ca 0.02 0.53 -0.04 0.00 -0.00 0.00 0.00 52.55 53.06 1xsq s ASP 135 Cb -0.07 -2.23 0.01 0.00 -0.00 0.00 0.00 42.92 40.63 1xsq s ASP 135 CO 0.00 -0.06 -0.02 -0.36 -0.00 0.00 0.00 175.17 174.73 1xsq s PHE 136 N 1.21 3.04 0.08 4.23 0.08 0.11 -4.41 117.98 122.32 1xsq s PHE 136 Ca 0.19 -1.16 -0.31 0.00 0.12 0.00 0.00 56.93 55.78 1xsq s PHE 136 Cb -0.15 -2.12 -0.08 0.00 -0.57 0.00 0.00 43.02 40.10 1xsq s PHE 136 CO 0.08 -0.62 1.52 -1.17 -0.10 0.00 0.00 175.22 174.93 1xsq s LEU 137 N 1.43 4.36 -0.07 -0.37 2.96 0.87 -1.30 118.68 126.55 1xsq s LEU 137 Ca 0.03 2.39 0.04 0.00 -0.22 0.00 0.00 54.13 56.37 1xsq s LEU 137 Cb -0.16 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1xsq s LEU 137 CO -0.02 -0.78 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.13 1xsq s THR 138 N 1.96 2.50 -0.24 3.68 2.01 0.15 -1.22 115.64 124.48 1xsq s THR 138 Ca 0.69 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 1xsq s THR 138 Cb -0.38 -1.96 0.07 0.00 0.01 0.00 0.00 72.50 70.24 1xsq s THR 138 CO 0.30 0.56 0.00 -0.63 -0.69 0.00 0.00 174.62 174.17 1xsq s ILE 139 N -0.16 1.20 0.00 1.82 -1.09 -0.68 -1.16 121.20 121.14 1xsq s ILE 139 Ca -0.02 -1.14 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1xsq s ILE 139 Cb -0.14 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.12 1xsq s ILE 139 CO 0.04 -0.25 0.00 -0.90 -1.23 0.00 0.00 174.94 172.59 1xsq n ASP 140 N 4.77 0.00 0.29 3.58 5.68 -0.91 -1.21 116.55 128.76 1xsq n ASP 140 Ca -0.09 -0.88 0.18 0.00 -0.50 0.00 0.00 54.79 53.50 1xsq n ASP 140 Cb 0.44 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.25 1xsq n ASP 140 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1xsq h ARG 141 N 0.00 0.00 -3.19 0.11 2.43 -1.86 0.12 114.38 111.99 1xsq h ARG 141 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1xsq h ARG 141 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1xsq h ARG 141 CO 0.00 0.03 -0.05 0.41 -1.51 0.00 0.00 179.97 178.85 1xsq n GLY 142 N -0.38 0.48 0.90 2.80 0.00 -1.26 -4.57 105.19 103.16 1xsq n GLY 142 Ca -0.01 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1xsq n GLY 142 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xsq n ASP 145 N -1.50 -4.33 -3.68 1.61 5.75 -1.26 -5.11 116.55 108.03 1xsq n ASP 145 Ca -0.00 0.45 -0.24 0.00 -0.01 0.00 0.00 54.79 54.99 1xsq n ASP 145 Cb 0.51 -2.90 0.05 0.00 -1.03 0.00 0.00 41.12 37.75 1xsq n ASP 145 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1xsq n ASN 146 N -4.24 -3.51 -3.70 -1.12 5.03 -1.26 -4.99 115.26 101.46 1xsq n ASN 146 Ca -0.01 -0.71 -0.26 0.00 0.87 0.00 0.00 54.58 54.47 1xsq n ASN 146 Cb 0.59 -4.44 -0.17 0.00 -1.02 0.00 0.00 39.78 34.74 1xsq n ASN 146 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsq s ASP 148 N 1.98 7.44 -0.06 0.00 -0.00 -0.50 -4.87 116.67 120.67 1xsq s ASP 148 Ca 0.01 1.90 -0.00 0.00 -0.00 0.00 0.00 52.55 54.46 1xsq s ASP 148 Cb -0.16 -2.59 0.02 0.00 -0.00 0.00 0.00 42.92 40.19 1xsq s ASP 148 CO -0.08 0.01 -0.02 -0.69 -0.00 0.00 0.00 175.17 174.39 1xsq s VAL 149 N -1.43 0.47 0.05 -1.27 1.01 -1.26 -0.95 120.40 117.03 1xsq s VAL 149 Ca 0.47 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.48 1xsq s VAL 149 Cb -0.22 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1xsq s VAL 149 CO 0.28 0.24 -0.15 -1.61 0.00 0.00 0.00 175.10 173.86 1xsq s GLU 150 N 1.39 0.96 0.46 2.72 0.41 -0.63 -5.00 118.70 119.02 1xsq s GLU 150 Ca -0.04 -0.86 -0.17 0.00 -0.41 0.00 0.00 54.97 53.50 1xsq s GLU 150 Cb -0.13 -1.00 -0.09 0.00 -1.78 0.00 0.00 34.13 31.13 1xsq s GLU 150 CO -0.03 0.24 0.93 -1.54 -0.49 0.00 0.00 175.26 174.37 1xsq s SER 151 N -1.36 6.71 0.07 -0.19 1.04 -1.26 -1.44 113.70 117.27 1xsq s SER 151 Ca 0.02 1.52 0.01 0.00 0.48 0.00 0.00 55.95 57.97 1xsq s SER 151 Cb -0.09 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1xsq s SER 151 CO 0.02 -0.47 -0.05 0.27 0.98 0.00 0.00 173.24 173.99 1xsq s ILE 152 N -2.42 0.46 0.44 -1.02 -4.36 -0.75 -4.89 121.20 108.66 1xsq s ILE 152 Ca 0.58 -1.76 -0.25 0.00 -0.26 0.00 0.00 60.65 58.97 1xsq s ILE 152 Cb -0.10 -1.45 -0.09 0.00 1.25 0.00 0.00 42.46 42.08 1xsq s ILE 152 CO 0.25 -0.86 1.30 -2.65 0.24 0.00 0.00 174.94 173.22 1xsq n PRO 153 N 0.24 1.95 -1.63 0.37 -0.02 -1.26 -4.56 135.00 130.09 1xsq n PRO 153 Ca -0.14 0.70 -0.52 0.00 -2.02 0.00 0.00 63.50 61.51 1xsq n PRO 153 Cb 0.60 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.13 1.52 -4.53 -0.52 2.13 -1.26 -4.78 120.64 113.07 1xsq n GLU 154 Ca 0.07 0.53 -0.34 0.00 0.66 0.00 0.00 57.16 58.08 1xsq n GLU 154 Cb 0.41 -2.42 -0.11 0.00 0.27 0.00 0.00 31.44 29.59 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 4.52 3.10 -0.35 5.31 -1.52 -0.53 -4.83 119.66 125.36 1xsq s GLN 155 Ca 0.99 -0.52 -0.07 0.00 -1.95 0.00 0.00 55.36 53.81 1xsq s GLN 155 Cb -0.86 -2.72 0.04 0.00 -0.22 0.00 0.00 33.01 29.25 1xsq s GLN 155 CO 0.56 0.52 0.13 -1.21 -0.25 0.00 0.00 175.29 175.04 1xsq s GLU 156 N -0.40 2.62 0.06 2.91 2.02 -1.26 -1.36 118.70 123.28 1xsq s GLU 156 Ca 0.06 -1.22 -0.31 0.00 0.02 0.00 0.00 54.97 53.53 1xsq s GLU 156 Cb -0.12 -3.53 -0.08 0.00 0.10 0.00 0.00 34.13 30.50 1xsq s GLU 156 CO 0.02 -0.71 1.56 -0.51 0.02 0.00 0.00 175.26 175.64 1xsq s LEU 157 N 1.41 4.35 -0.08 1.80 1.02 -0.80 -0.45 118.68 125.94 1xsq s LEU 157 Ca -0.01 2.38 0.05 0.00 0.02 0.00 0.00 54.13 56.57 1xsq s LEU 157 Cb -0.20 -3.57 -0.01 0.00 0.02 0.00 0.00 46.19 42.44 1xsq s LEU 157 CO 0.03 -0.82 -0.24 0.00 0.02 0.00 0.00 176.35 175.35 1xsq n PHE 159 N 3.17 -0.51 1.59 0.00 3.01 -1.26 -0.67 117.46 122.80 1xsq n PHE 159 Ca -0.18 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.41 1xsq n PHE 159 Cb 0.52 0.00 0.76 0.00 -0.01 0.00 0.00 39.48 40.75 1xsq n PHE 159 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77