#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtq s SER 4 N 0.00 5.34 -0.06 2.61 1.04 -1.26 -4.64 113.70 116.74 1xtq s SER 4 Ca 0.00 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 1xtq s SER 4 Cb 0.00 -0.70 0.03 0.00 0.10 0.00 0.00 66.02 65.45 1xtq s SER 4 CO 0.00 -1.06 0.02 -0.75 0.98 0.00 0.00 173.24 172.43 1xtq s LYS 5 N -4.64 0.35 -0.09 4.02 2.20 -0.71 -5.01 119.74 115.86 1xtq s LYS 5 Ca 0.57 0.19 -0.13 0.00 -0.36 0.00 0.00 55.97 56.25 1xtq s LYS 5 Cb -0.10 -0.76 -0.05 0.00 -1.51 0.00 0.00 37.83 35.41 1xtq s LYS 5 CO 0.37 -0.29 0.31 -1.54 -0.36 0.00 0.00 175.35 173.84 1xtq s SER 6 N 1.93 6.58 0.01 1.43 1.04 -1.26 -0.16 113.70 123.27 1xtq s SER 6 Ca 0.03 0.69 0.01 0.00 0.48 0.00 0.00 55.95 57.16 1xtq s SER 6 Cb -0.12 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.80 1xtq s SER 6 CO -0.04 0.25 -0.03 -0.13 0.98 0.00 0.00 173.24 174.27 1xtq s ARG 7 N -0.47 0.26 -0.17 4.02 1.81 -0.40 -4.92 118.95 119.07 1xtq s ARG 7 Ca 0.19 -0.37 -0.01 0.00 -1.72 0.00 0.00 55.73 53.82 1xtq s ARG 7 Cb -0.14 -0.06 -0.01 0.00 -0.45 0.00 0.00 34.95 34.29 1xtq s ARG 7 CO 0.08 0.00 -0.11 0.21 -0.68 0.00 0.00 175.30 174.81 1xtq s LYS 8 N -0.81 3.32 -0.11 3.54 2.20 -1.26 -1.41 119.74 125.19 1xtq s LYS 8 Ca -0.07 -0.69 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1xtq s LYS 8 Cb -0.06 -2.77 -0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1xtq s LYS 8 CO -0.00 -0.02 -0.22 0.42 -0.36 0.00 0.00 175.35 175.17 1xtq s ILE 9 N 0.95 2.23 -0.17 5.43 1.01 0.38 -0.20 121.20 130.83 1xtq s ILE 9 Ca -0.02 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 1xtq s ILE 9 Cb -0.15 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1xtq s ILE 9 CO -0.01 0.55 0.10 0.00 0.00 0.00 0.00 174.94 175.58 1xtq s ALA 10 N 0.46 3.59 -0.28 9.38 0.00 -0.47 -0.01 121.76 134.43 1xtq s ALA 10 Ca -0.15 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1xtq s ALA 10 Cb -0.17 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1xtq s ALA 10 CO 0.06 0.28 0.12 0.42 0.00 0.00 0.00 175.76 176.65 1xtq s ILE 11 N 0.01 4.62 0.35 0.00 1.09 -0.01 -1.09 121.20 126.18 1xtq s ILE 11 Ca 0.08 -0.19 0.08 0.00 -1.10 0.00 0.00 60.65 59.52 1xtq s ILE 11 Cb -0.12 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.99 1xtq s ILE 11 CO 0.00 0.22 0.08 -0.76 -0.10 0.00 0.00 174.94 174.38 1xtq s LEU 12 N 1.64 3.08 0.00 2.97 1.43 0.41 -2.97 118.68 125.24 1xtq s LEU 12 Ca 0.06 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1xtq s LEU 12 Cb -0.16 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1xtq s LEU 12 CO 0.06 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1xtq n GLY 13 N -1.06 3.35 3.72 -3.19 0.00 -1.26 -1.44 105.19 105.32 1xtq n GLY 13 Ca -0.03 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1xtq n GLY 13 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xtq s TYR 14 N -2.00 2.06 0.52 1.61 5.04 -1.26 -2.20 117.35 121.12 1xtq s TYR 14 Ca 0.00 1.67 -0.22 0.00 -2.44 0.00 0.00 57.07 56.08 1xtq s TYR 14 Cb 0.00 -3.27 -0.06 0.00 0.35 0.00 0.00 41.96 38.98 1xtq s TYR 14 CO 0.00 -2.39 1.33 -0.98 -1.34 0.00 0.00 175.55 172.17 1xtq s ARG 15 N -4.54 3.32 0.00 4.97 1.70 -1.26 -3.19 118.95 119.94 1xtq s ARG 15 Ca 0.67 2.17 0.00 0.00 -0.47 0.00 0.00 55.73 58.10 1xtq s ARG 15 Cb -0.22 -2.33 0.00 0.00 -0.57 0.00 0.00 34.95 31.83 1xtq s ARG 15 CO 0.54 -1.03 0.00 0.43 -1.08 0.00 0.00 175.30 174.16 1xtq n SER 16 N -0.83 -4.64 0.11 -2.89 7.64 -1.26 -4.86 113.62 106.89 1xtq n SER 16 Ca 0.09 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.10 1xtq n SER 16 Cb 0.45 -2.27 0.43 0.00 -1.01 0.00 0.00 64.21 61.80 1xtq n SER 16 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1xtq n VAL 17 N -2.39 0.65 0.00 0.44 0.24 -1.19 -4.91 118.33 111.18 1xtq n VAL 17 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1xtq n VAL 17 Cb 0.29 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1xtq n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xtq n GLY 18 N 1.01 1.63 0.17 7.63 0.00 -1.26 -4.60 105.19 109.77 1xtq n GLY 18 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1xtq n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xtq h LYS 19 N 0.00 -0.18 -0.26 1.61 1.57 -1.90 -0.48 116.57 116.93 1xtq h LYS 19 Ca 0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1xtq h LYS 19 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1xtq h LYS 19 CO 0.00 -0.12 0.02 0.77 -0.57 0.00 0.00 179.45 179.56 1xtq h SER 20 N -0.18 0.43 -0.45 0.86 0.02 -1.95 -2.13 113.55 110.15 1xtq h SER 20 Ca 0.07 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1xtq h SER 20 Cb 0.28 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1xtq h SER 20 CO -0.18 0.60 0.19 0.28 -1.14 0.00 0.00 176.83 176.59 1xtq h SER 21 N 0.24 0.64 -0.04 3.07 0.02 -1.92 0.20 113.55 115.75 1xtq h SER 21 Ca 0.08 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1xtq h SER 21 Cb 0.37 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1xtq h SER 21 CO 0.01 0.59 -0.10 0.25 -1.14 0.00 0.00 176.83 176.44 1xtq h LEU 22 N 0.70 0.16 0.05 5.07 6.46 -1.05 -1.40 115.31 125.30 1xtq h LEU 22 Ca 0.17 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1xtq h LEU 22 Cb 0.15 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1xtq h LEU 22 CO -0.02 0.72 -0.04 0.74 -0.62 0.00 0.00 178.44 179.22 1xtq h THR 23 N -0.40 0.91 -0.27 1.05 2.02 -1.16 -1.93 112.91 113.14 1xtq h THR 23 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1xtq h THR 23 Cb 0.69 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1xtq h THR 23 CO 0.02 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.31 1xtq h ILE 24 N -0.10 1.17 -0.62 3.11 2.04 -0.68 0.22 117.51 122.65 1xtq h ILE 24 Ca -0.00 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1xtq h ILE 24 Cb 0.09 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1xtq h ILE 24 CO -0.00 0.22 0.14 -0.61 0.00 0.00 0.00 178.15 177.89 1xtq h GLN 25 N 0.40 0.97 0.19 2.37 5.75 -0.94 0.34 115.11 124.19 1xtq h GLN 25 Ca 0.09 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1xtq h GLN 25 Cb 0.27 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.68 1xtq h GLN 25 CO 0.01 0.87 -0.09 0.35 -2.65 0.00 0.00 178.83 177.32 1xtq h PHE 26 N 0.92 -0.24 0.37 3.99 3.57 -0.50 -0.54 116.94 124.51 1xtq h PHE 26 Ca 0.20 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1xtq h PHE 26 Cb 0.35 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1xtq h PHE 26 CO 0.02 0.16 -0.19 0.28 -2.23 0.00 0.00 178.31 176.36 1xtq h VAL 27 N -0.88 0.61 -0.02 1.41 2.07 -0.56 -3.29 116.25 115.59 1xtq h VAL 27 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xtq h VAL 27 Cb 0.51 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1xtq h VAL 27 CO 0.04 0.00 -0.07 -0.62 0.02 0.00 0.00 177.57 176.94 1xtq n GLU 28 N -5.32 1.74 -2.00 1.57 1.02 0.10 -4.98 120.64 112.78 1xtq n GLU 28 Ca -0.10 -1.56 -0.18 0.00 -0.02 0.00 0.00 57.16 55.30 1xtq n GLU 28 Cb 0.23 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1xtq n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xtq n GLY 29 N 1.16 0.55 3.05 0.62 0.00 -0.21 -4.99 105.19 105.37 1xtq n GLY 29 Ca 0.11 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1xtq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xtq s GLN 30 N -4.32 0.61 -0.77 1.61 2.00 -1.24 -5.00 119.66 112.55 1xtq s GLN 30 Ca 0.00 -0.57 -0.19 0.00 -2.00 0.00 0.00 55.36 52.60 1xtq s GLN 30 Cb 0.00 -0.51 0.13 0.00 0.80 0.00 0.00 33.01 33.43 1xtq s GLN 30 CO 0.00 0.12 0.92 0.12 -0.50 0.00 0.00 175.29 175.95 1xtq s PHE 31 N -0.82 3.11 0.44 1.67 5.99 -1.26 -3.51 117.98 123.60 1xtq s PHE 31 Ca -0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 56.93 55.43 1xtq s PHE 31 Cb -0.07 -4.13 -0.08 0.00 0.00 0.00 0.00 43.02 38.74 1xtq s PHE 31 CO 0.00 -1.38 1.27 0.54 -0.00 0.00 0.00 175.22 175.66 1xtq s VAL 32 N 2.51 2.66 -0.14 3.12 0.11 -1.26 -4.96 120.40 122.43 1xtq s VAL 32 Ca 0.22 0.55 -0.04 0.00 -2.93 0.00 0.00 61.98 59.78 1xtq s VAL 32 Cb -0.13 -3.30 -0.24 0.00 -1.53 0.00 0.00 36.38 31.17 1xtq s VAL 32 CO -0.02 0.05 0.27 -0.67 -3.33 0.00 0.00 175.10 171.40 1xtq n ASP 33 N -0.23 2.05 -4.29 3.54 -0.08 -1.26 -4.94 116.55 111.35 1xtq n ASP 33 Ca 0.06 0.15 -0.29 0.00 -1.51 0.00 0.00 54.79 53.20 1xtq n ASP 33 Cb 0.45 -0.75 -0.15 0.00 2.34 0.00 0.00 41.12 43.01 1xtq n ASP 33 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1xtq s SER 34 N -6.91 2.83 -0.28 1.67 0.15 -1.26 -5.13 113.70 104.77 1xtq s SER 34 Ca -0.24 -0.49 -0.19 0.00 0.70 0.00 0.00 55.95 55.74 1xtq s SER 34 Cb 0.07 -0.29 0.11 0.00 -1.71 0.00 0.00 66.02 64.20 1xtq s SER 34 CO 0.74 0.26 0.84 -0.47 1.20 0.00 0.00 173.24 175.82 1xtq s TYR 35 N -0.67 -0.77 -0.48 3.44 5.04 -1.26 -5.12 117.35 117.53 1xtq s TYR 35 Ca 0.10 1.62 -0.45 0.00 -2.44 0.00 0.00 57.07 55.89 1xtq s TYR 35 Cb -0.09 0.45 -0.19 0.00 0.35 0.00 0.00 41.96 42.47 1xtq s TYR 35 CO 0.00 -0.38 1.86 -0.40 -1.34 0.00 0.00 175.55 175.29 1xtq n ASP 36 N 3.57 1.13 0.16 4.32 5.68 -1.26 -4.84 116.55 125.31 1xtq n ASP 36 Ca -0.18 0.94 0.11 0.00 -0.50 0.00 0.00 54.79 55.17 1xtq n ASP 36 Cb 0.58 -0.92 0.59 0.00 -1.14 0.00 0.00 41.12 40.22 1xtq n ASP 36 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1xtq n PRO 37 N 5.71 0.15 0.00 0.11 -0.02 -1.26 -4.23 135.00 135.46 1xtq n PRO 37 Ca 0.41 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1xtq n PRO 37 Cb -0.03 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1xtq n PRO 37 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xtq n THR 38 N -2.28 0.00 -1.67 3.45 -2.24 -1.26 -4.98 114.28 105.29 1xtq n THR 38 Ca -0.01 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.32 1xtq n THR 38 Cb 0.07 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 1xtq n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xtq n ILE 39 N -2.12 0.85 -3.25 2.28 3.06 -1.26 -4.36 119.36 114.56 1xtq n ILE 39 Ca 0.00 -0.21 -0.39 0.00 -2.50 0.00 0.00 62.75 59.65 1xtq n ILE 39 Cb 0.40 -1.50 -0.07 0.00 0.54 0.00 0.00 39.64 39.02 1xtq n ILE 39 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1xtq s GLU 40 N -0.27 4.22 0.06 9.51 2.12 -1.26 -4.64 118.70 128.44 1xtq s GLU 40 Ca 0.69 0.44 0.04 0.00 0.36 0.00 0.00 54.97 56.50 1xtq s GLU 40 Cb -0.65 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.17 1xtq s GLU 40 CO 0.48 -0.10 -0.12 1.21 -0.54 0.00 0.00 175.26 176.19 1xtq s ASN 41 N 1.07 1.38 -0.32 -1.70 2.47 -0.97 -5.00 114.94 111.87 1xtq s ASN 41 Ca 0.25 -0.57 -0.04 0.00 0.42 0.00 0.00 52.86 52.92 1xtq s ASN 41 Cb -0.15 -0.03 0.04 0.00 -1.45 0.00 0.00 41.25 39.66 1xtq s ASN 41 CO 0.10 -0.10 0.05 -0.89 -3.72 0.00 0.00 177.10 172.54 1xtq s THR 42 N -1.24 3.43 0.42 -5.21 2.01 -1.26 -0.62 115.64 113.17 1xtq s THR 42 Ca -0.04 -1.20 -0.07 0.00 0.31 0.00 0.00 61.69 60.69 1xtq s THR 42 Cb -0.10 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1xtq s THR 42 CO 0.01 -0.11 0.75 -0.36 -0.69 0.00 0.00 174.62 174.22 1xtq s PHE 43 N 1.34 3.51 -0.06 4.92 0.40 0.14 -4.84 117.98 123.40 1xtq s PHE 43 Ca -0.03 0.89 0.06 0.00 -0.60 0.00 0.00 56.93 57.25 1xtq s PHE 43 Cb -0.19 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 1xtq s PHE 43 CO 0.01 -0.15 -0.23 0.95 0.70 0.00 0.00 175.22 176.51 1xtq s THR 44 N -2.50 2.29 -0.08 0.64 -4.23 -1.26 -0.21 115.64 110.29 1xtq s THR 44 Ca 0.49 -0.99 -0.07 0.00 -1.18 0.00 0.00 61.69 59.93 1xtq s THR 44 Cb -0.10 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.91 1xtq s THR 44 CO 0.37 0.57 0.22 -0.75 -0.54 0.00 0.00 174.62 174.49 1xtq s LYS 45 N -0.30 0.25 -0.21 3.99 2.47 -0.11 -5.00 119.74 120.83 1xtq s LYS 45 Ca 0.01 0.33 -0.05 0.00 -1.56 0.00 0.00 55.97 54.69 1xtq s LYS 45 Cb -0.13 0.10 -0.02 0.00 -1.46 0.00 0.00 37.83 36.32 1xtq s LYS 45 CO 0.02 -0.05 0.01 -1.17 0.16 0.00 0.00 175.35 174.32 1xtq s LEU 46 N 0.24 3.23 -0.05 5.43 1.98 -1.26 -0.41 118.68 127.84 1xtq s LEU 46 Ca -0.01 -0.23 -0.06 0.00 -2.89 0.00 0.00 54.13 50.94 1xtq s LEU 46 Cb -0.03 -1.83 0.01 0.00 0.66 0.00 0.00 46.19 45.01 1xtq s LEU 46 CO -0.01 0.04 0.16 0.27 -1.89 0.00 0.00 176.35 174.92 1xtq s ILE 47 N 1.17 0.02 -0.30 6.68 -4.36 -0.93 -5.01 121.20 118.47 1xtq s ILE 47 Ca 0.03 -0.17 -0.08 0.00 -0.26 0.00 0.00 60.65 60.17 1xtq s ILE 47 Cb -0.14 -0.29 0.00 0.00 1.25 0.00 0.00 42.46 43.28 1xtq s ILE 47 CO 0.01 -0.10 0.11 0.28 0.24 0.00 0.00 174.94 175.48 1xtq s THR 48 N -0.28 4.20 -0.17 8.37 -1.32 -1.26 -0.22 115.64 124.95 1xtq s THR 48 Ca -0.04 -0.60 0.01 0.00 -1.21 0.00 0.00 61.69 59.86 1xtq s THR 48 Cb -0.03 -3.16 0.01 0.00 -1.51 0.00 0.00 72.50 67.82 1xtq s THR 48 CO 0.01 0.07 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.60 1xtq s VAL 49 N 1.54 2.16 -1.23 5.08 1.01 0.12 -4.67 120.40 124.41 1xtq s VAL 49 Ca 0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1xtq s VAL 49 Cb -0.17 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1xtq s VAL 49 CO 0.04 0.54 0.69 0.59 0.00 0.00 0.00 175.10 176.96 1xtq n ASN 50 N 4.42 -5.48 0.00 3.32 3.02 -1.26 -1.53 115.26 117.74 1xtq n ASN 50 Ca -0.20 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1xtq n ASN 50 Cb 0.51 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 1xtq n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xtq n GLY 51 N -1.54 1.21 3.65 7.41 0.00 -1.26 -4.98 105.19 109.69 1xtq n GLY 51 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1xtq n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xtq s GLN 52 N -0.16 4.04 0.10 1.61 2.00 -0.58 -5.08 119.66 121.58 1xtq s GLN 52 Ca 0.00 -0.29 -0.24 0.00 -2.00 0.00 0.00 55.36 52.83 1xtq s GLN 52 Cb 0.00 -3.44 -0.07 0.00 0.80 0.00 0.00 33.01 30.30 1xtq s GLN 52 CO 0.00 0.13 0.74 -2.00 -0.50 0.00 0.00 175.29 173.66 1xtq s GLU 53 N 0.84 4.48 -0.02 1.67 2.12 -1.26 0.11 118.70 126.65 1xtq s GLU 53 Ca 0.07 1.05 0.06 0.00 0.36 0.00 0.00 54.97 56.50 1xtq s GLU 53 Cb -0.13 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1xtq s GLU 53 CO 0.02 0.45 -0.19 0.71 -0.54 0.00 0.00 175.26 175.71 1xtq s TYR 54 N -0.64 1.75 -0.42 5.30 2.02 0.69 -1.75 117.35 124.30 1xtq s TYR 54 Ca 0.36 -0.33 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 1xtq s TYR 54 Cb -0.21 -1.13 0.10 0.00 -0.40 0.00 0.00 41.96 40.32 1xtq s TYR 54 CO 0.24 -0.03 0.24 -1.01 -1.57 0.00 0.00 175.55 173.41 1xtq s HIS 55 N -0.46 3.44 -0.12 2.71 3.76 0.77 -2.19 115.29 123.20 1xtq s HIS 55 Ca 0.07 -1.94 -0.08 0.00 -0.15 0.00 0.00 55.06 52.97 1xtq s HIS 55 Cb -0.08 -3.10 -0.04 0.00 1.11 0.00 0.00 32.58 30.48 1xtq s HIS 55 CO -0.01 -0.92 0.15 -0.51 -0.85 0.00 0.00 174.74 172.61 1xtq s LEU 56 N 1.30 4.38 -0.28 0.89 1.43 0.45 -1.28 118.68 125.57 1xtq s LEU 56 Ca 0.05 0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1xtq s LEU 56 Cb -0.23 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 43.93 1xtq s LEU 56 CO -0.01 0.38 -0.05 -1.10 0.23 0.00 0.00 176.35 175.81 1xtq s GLN 57 N -0.90 2.44 -0.41 1.70 -1.52 -0.50 -0.94 119.66 119.53 1xtq s GLN 57 Ca 0.15 -1.24 -0.13 0.00 -1.95 0.00 0.00 55.36 52.19 1xtq s GLN 57 Cb -0.12 -3.06 0.04 0.00 -0.22 0.00 0.00 33.01 29.65 1xtq s GLN 57 CO 0.04 -0.57 0.28 -0.51 -0.25 0.00 0.00 175.29 174.29 1xtq s LEU 58 N 1.22 5.09 -0.71 2.90 1.43 0.70 -0.47 118.68 128.85 1xtq s LEU 58 Ca -0.05 -1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 51.77 1xtq s LEU 58 Cb -0.19 -2.11 0.07 0.00 0.03 0.00 0.00 46.19 43.99 1xtq s LEU 58 CO -0.03 -0.47 1.02 -0.69 0.23 0.00 0.00 176.35 176.41 1xtq s VAL 59 N 1.61 4.30 -0.88 -1.59 1.01 0.98 -0.69 120.40 125.16 1xtq s VAL 59 Ca 0.04 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1xtq s VAL 59 Cb -0.20 -4.73 0.08 0.00 0.00 0.00 0.00 36.38 31.53 1xtq s VAL 59 CO 0.08 -1.51 1.20 -0.62 0.00 0.00 0.00 175.10 174.24 1xtq s ASP 60 N 3.73 6.44 0.94 3.32 2.15 0.20 -0.83 116.67 132.63 1xtq s ASP 60 Ca 0.25 -1.47 -0.11 0.00 0.43 0.00 0.00 52.55 51.64 1xtq s ASP 60 Cb -0.14 -2.47 0.16 0.00 -0.30 0.00 0.00 42.92 40.17 1xtq s ASP 60 CO 0.08 -1.36 1.09 0.42 -0.17 0.00 0.00 175.17 175.23 1xtq s THR 61 N 3.97 2.45 -1.49 1.71 -4.23 -1.16 -2.28 115.64 114.62 1xtq s THR 61 Ca 0.34 0.15 0.21 0.00 -1.18 0.00 0.00 61.69 61.21 1xtq s THR 61 Cb -0.06 -2.44 0.39 0.00 1.34 0.00 0.00 72.50 71.73 1xtq s THR 61 CO -0.03 -0.19 1.66 0.00 -0.54 0.00 0.00 174.62 175.52 1xtq n ALA 62 N -4.14 2.11 0.00 3.99 0.00 -1.26 -4.83 120.51 116.37 1xtq n ALA 62 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xtq n ALA 62 Cb 0.54 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1xtq n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtq n GLY 63 N 0.47 -0.07 3.55 0.00 0.00 -1.26 -4.87 105.19 103.00 1xtq n GLY 63 Ca 0.11 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 1xtq n GLY 63 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xtq s GLN 64 N -2.85 1.84 0.00 1.61 0.00 -0.94 -4.96 119.66 114.37 1xtq s GLN 64 Ca 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 55.36 53.78 1xtq s GLN 64 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 33.01 33.48 1xtq s GLN 64 CO 0.00 -0.78 0.00 -0.40 0.00 0.00 0.00 175.29 174.11 1xtq n ASP 65 N -1.11 0.00 0.31 12.60 5.68 -1.26 -4.05 116.55 128.71 1xtq n ASP 65 Ca -0.01 -0.85 0.19 0.00 -0.50 0.00 0.00 54.79 53.63 1xtq n ASP 65 Cb 0.62 0.00 1.04 0.00 -1.14 0.00 0.00 41.12 41.63 1xtq n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1xtq h GLU 66 N 0.00 0.00 -0.11 0.11 3.07 -1.97 -2.31 114.58 113.37 1xtq h GLU 66 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xtq h GLU 66 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1xtq h GLU 66 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 1xtq n TYR 67 N -3.36 0.13 -2.18 4.33 4.02 -1.26 -5.01 117.16 113.84 1xtq n TYR 67 Ca -0.02 -0.10 -0.37 0.00 -0.01 0.00 0.00 57.90 57.40 1xtq n TYR 67 Cb 0.16 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1xtq n TYR 67 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1xtq s SER 68 N -1.22 5.84 -0.47 7.72 0.01 -0.87 -5.00 113.70 119.70 1xtq s SER 68 Ca 0.21 2.34 -0.02 0.00 1.31 0.00 0.00 55.95 59.78 1xtq s SER 68 Cb 0.14 -2.60 0.13 0.00 0.21 0.00 0.00 66.02 63.89 1xtq s SER 68 CO 0.20 -1.14 0.27 -0.63 0.41 0.00 0.00 173.24 172.34 1xtq s ILE 69 N -1.58 3.32 -0.49 1.44 1.01 -1.26 -4.93 121.20 118.72 1xtq s ILE 69 Ca 0.68 -2.40 -0.46 0.00 0.00 0.00 0.00 60.65 58.47 1xtq s ILE 69 Cb -0.29 -3.25 -0.20 0.00 0.01 0.00 0.00 42.46 38.73 1xtq s ILE 69 CO 0.34 -0.75 1.58 0.49 0.00 0.00 0.00 174.94 176.60 1xtq n PHE 70 N 4.17 1.71 -1.55 3.97 0.99 -1.26 -4.91 117.46 120.58 1xtq n PHE 70 Ca 0.01 1.12 -0.32 0.00 -0.00 0.00 0.00 57.45 58.26 1xtq n PHE 70 Cb 0.40 -2.18 0.07 0.00 -1.00 0.00 0.00 39.48 36.76 1xtq n PHE 70 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1xtq s PRO 71 N 3.02 2.57 0.38 -1.08 0.02 -1.26 -4.91 135.00 133.75 1xtq s PRO 71 Ca 1.03 1.30 0.08 0.00 0.02 0.00 0.00 61.00 63.43 1xtq s PRO 71 Cb -1.47 -1.93 0.81 0.00 0.02 0.00 0.00 34.50 31.94 1xtq s PRO 71 CO 0.80 -1.41 1.97 1.96 -0.33 0.00 0.00 177.00 179.99 1xtq h GLN 72 N -0.45 0.64 0.00 5.54 1.08 -2.01 -1.15 115.11 118.76 1xtq h GLN 72 Ca -0.45 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1xtq h GLN 72 Cb 1.24 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1xtq h GLN 72 CO 0.53 0.43 0.07 0.25 -0.95 0.00 0.00 178.83 179.15 1xtq n THR 73 N -4.48 1.45 0.30 -0.54 -2.24 -1.26 -0.89 114.28 106.63 1xtq n THR 73 Ca 0.10 0.59 0.12 0.00 -2.27 0.00 0.00 64.05 62.58 1xtq n THR 73 Cb 0.24 -1.59 0.12 0.00 -2.10 0.00 0.00 70.33 66.99 1xtq n THR 73 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1xtq h TYR 74 N 0.00 0.00 0.00 4.78 -1.99 -1.56 -3.38 116.97 114.82 1xtq h TYR 74 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xtq h TYR 74 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1xtq h TYR 74 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 1xtq n SER 75 N -2.58 1.33 -4.60 3.88 3.41 -0.07 -4.87 113.62 110.12 1xtq n SER 75 Ca 0.02 -1.49 -0.37 0.00 -0.26 0.00 0.00 58.87 56.78 1xtq n SER 75 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 1xtq n SER 75 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1xtq s ILE 76 N -0.49 5.13 -1.49 -1.33 -5.25 -1.05 -4.48 121.20 112.23 1xtq s ILE 76 Ca 0.00 0.10 -0.03 0.00 -0.99 0.00 0.00 60.65 59.73 1xtq s ILE 76 Cb 0.00 -3.41 0.01 0.00 2.95 0.00 0.00 42.46 42.02 1xtq s ILE 76 CO 0.00 0.32 0.29 0.47 -1.79 0.00 0.00 174.94 174.23 1xtq n ASP 77 N 4.59 -5.30 -4.68 4.36 8.00 -1.26 -4.97 116.55 117.29 1xtq n ASP 77 Ca -0.15 -0.13 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 1xtq n ASP 77 Cb 0.52 -4.37 -0.07 0.00 -0.02 0.00 0.00 41.12 37.18 1xtq n ASP 77 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xtq s ILE 78 N -3.00 5.19 -0.64 0.53 -1.09 -1.26 -4.53 121.20 116.41 1xtq s ILE 78 Ca 0.17 0.78 0.23 0.00 -2.23 0.00 0.00 60.65 59.61 1xtq s ILE 78 Cb -0.08 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1xtq s ILE 78 CO 0.21 0.26 1.15 0.59 -1.23 0.00 0.00 174.94 175.93 1xtq n ASN 79 N 4.31 0.64 -3.57 3.58 3.02 0.71 -4.98 115.26 118.98 1xtq n ASN 79 Ca -0.08 -0.08 -0.07 0.00 -0.03 0.00 0.00 54.58 54.32 1xtq n ASN 79 Cb 0.51 0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 40.17 1xtq n ASN 79 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xtq s GLY 80 N -3.63 -0.27 0.00 7.41 0.00 -1.15 -4.53 107.32 105.15 1xtq s GLY 80 Ca 0.05 1.79 0.06 0.00 0.00 0.00 0.00 44.72 46.61 1xtq s GLY 80 CO 0.77 0.76 -0.18 -0.19 0.00 0.00 0.00 173.10 174.25 1xtq s TYR 81 N -1.89 1.58 -0.24 1.90 1.51 -0.56 -1.37 117.35 118.27 1xtq s TYR 81 Ca 0.04 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1xtq s TYR 81 Cb -0.01 -0.99 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 1xtq s TYR 81 CO -0.04 -0.00 -0.08 0.42 -1.11 0.00 0.00 175.55 174.74 1xtq s ILE 82 N -0.51 2.76 -0.37 2.71 1.01 -0.25 -1.21 121.20 125.35 1xtq s ILE 82 Ca 0.06 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 1xtq s ILE 82 Cb -0.07 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 40.05 1xtq s ILE 82 CO -0.00 0.25 0.19 -0.76 0.00 0.00 0.00 174.94 174.62 1xtq s LEU 83 N 1.32 4.66 0.01 2.97 1.02 0.42 -0.45 118.68 128.63 1xtq s LEU 83 Ca 0.01 -1.00 0.04 0.00 0.02 0.00 0.00 54.13 53.19 1xtq s LEU 83 Cb -0.16 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.01 1xtq s LEU 83 CO -0.06 -0.37 -0.07 0.54 0.02 0.00 0.00 176.35 176.41 1xtq s VAL 84 N 1.54 3.65 0.32 -1.59 0.11 -0.52 -0.49 120.40 123.42 1xtq s VAL 84 Ca 0.02 -0.82 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 1xtq s VAL 84 Cb -0.19 -2.60 -0.05 0.00 -1.53 0.00 0.00 36.38 32.01 1xtq s VAL 84 CO 0.06 0.36 0.10 -0.72 -3.33 0.00 0.00 175.10 171.58 1xtq s TYR 85 N -1.03 1.74 -0.14 1.54 -0.85 -0.26 -3.99 117.35 114.37 1xtq s TYR 85 Ca 0.18 -1.17 -0.04 0.00 -0.52 0.00 0.00 57.07 55.52 1xtq s TYR 85 Cb -0.11 -1.07 -0.03 0.00 0.38 0.00 0.00 41.96 41.13 1xtq s TYR 85 CO 0.08 -0.26 0.00 0.45 -1.52 0.00 0.00 175.55 174.31 1xtq s SER 86 N -3.45 5.18 0.00 -0.18 0.15 -1.26 -0.96 113.70 113.18 1xtq s SER 86 Ca 0.34 0.03 0.15 0.00 0.70 0.00 0.00 55.95 57.17 1xtq s SER 86 Cb 0.06 -1.72 0.75 0.00 -1.71 0.00 0.00 66.02 63.41 1xtq s SER 86 CO 0.15 0.25 1.43 1.33 1.20 0.00 0.00 173.24 177.60 1xtq n VAL 87 N 3.01 0.63 -0.06 4.45 0.24 -0.44 -1.69 118.33 124.47 1xtq n VAL 87 Ca -0.18 0.16 0.11 0.00 -2.04 0.00 0.00 64.34 62.39 1xtq n VAL 87 Cb 0.53 -0.91 0.29 0.00 -1.47 0.00 0.00 33.84 32.28 1xtq n VAL 87 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xtq n THR 88 N -1.32 0.81 -3.55 3.34 -2.24 -1.26 -0.18 114.28 109.89 1xtq n THR 88 Ca 0.07 -0.87 -0.23 0.00 -2.27 0.00 0.00 64.05 60.74 1xtq n THR 88 Cb 0.13 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 68.80 1xtq n THR 88 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xtq s SER 89 N -1.13 1.99 0.33 3.42 0.15 -0.68 -4.72 113.70 113.05 1xtq s SER 89 Ca 0.44 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.65 1xtq s SER 89 Cb 0.24 0.03 0.60 0.00 -1.71 0.00 0.00 66.02 65.17 1xtq s SER 89 CO 0.32 -0.35 1.87 0.40 1.20 0.00 0.00 173.24 176.68 1xtq h ILE 90 N 6.37 1.20 -0.13 6.45 2.04 -1.89 -2.70 117.51 128.86 1xtq h ILE 90 Ca -0.16 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1xtq h ILE 90 Cb 1.14 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1xtq h ILE 90 CO 0.30 0.27 0.06 0.50 0.00 0.00 0.00 178.15 179.27 1xtq h LYS 91 N 0.52 0.13 0.00 2.37 1.63 -1.94 -0.19 116.57 119.09 1xtq h LYS 91 Ca 0.11 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1xtq h LYS 91 Cb 0.32 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1xtq h LYS 91 CO 0.01 0.08 -0.09 0.66 -3.45 0.00 0.00 179.45 176.66 1xtq h SER 92 N 0.13 0.00 -0.07 4.20 4.64 -1.82 -0.21 113.55 120.42 1xtq h SER 92 Ca 0.05 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 1xtq h SER 92 Cb 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1xtq h SER 92 CO -0.04 0.09 -0.48 0.15 -0.87 0.00 0.00 176.83 175.68 1xtq h PHE 93 N 0.00 0.61 -0.06 4.77 3.57 -1.05 -1.46 116.94 123.33 1xtq h PHE 93 Ca -0.00 -0.29 -0.09 0.00 3.53 0.00 0.00 57.97 61.13 1xtq h PHE 93 Cb 0.18 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1xtq h PHE 93 CO 0.00 1.06 -0.36 0.93 -2.23 0.00 0.00 178.31 177.71 1xtq h GLU 94 N -0.01 0.12 -0.06 1.11 4.39 -0.62 -2.81 114.58 116.70 1xtq h GLU 94 Ca -0.04 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.43 1xtq h GLU 94 Cb 1.14 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1xtq h GLU 94 CO 0.10 0.47 -0.72 0.28 -1.16 0.00 0.00 179.01 177.97 1xtq h VAL 95 N 0.11 1.40 0.00 3.13 2.07 -1.00 -3.02 116.25 118.93 1xtq h VAL 95 Ca 0.01 -2.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.32 1xtq h VAL 95 Cb 0.69 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1xtq h VAL 95 CO 0.05 0.65 -0.19 -0.29 0.02 0.00 0.00 177.57 177.81 1xtq h ILE 96 N 0.23 0.65 -0.26 4.57 6.09 -1.00 -0.02 117.51 127.77 1xtq h ILE 96 Ca -0.03 -0.81 -0.09 0.00 -1.37 0.00 0.00 64.86 62.56 1xtq h ILE 96 Cb 1.29 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 40.09 1xtq h ILE 96 CO 0.12 0.18 -0.19 0.11 -3.07 0.00 0.00 178.15 175.30 1xtq h LYS 97 N 0.00 0.60 -0.46 2.19 1.57 -1.41 -1.52 116.57 117.54 1xtq h LYS 97 Ca -0.00 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 1xtq h LYS 97 Cb 0.50 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1xtq h LYS 97 CO 0.02 0.87 0.10 0.28 -0.57 0.00 0.00 179.45 180.16 1xtq h VAL 98 N 0.32 1.24 -0.92 0.50 2.07 -1.34 -1.99 116.25 116.12 1xtq h VAL 98 Ca 0.05 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1xtq h VAL 98 Cb 0.73 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1xtq h VAL 98 CO 0.05 0.30 0.60 0.40 0.02 0.00 0.00 177.57 178.94 1xtq h ILE 99 N 0.61 1.15 -0.51 4.57 2.04 -0.95 -0.04 117.51 124.38 1xtq h ILE 99 Ca 0.14 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1xtq h ILE 99 Cb 0.34 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1xtq h ILE 99 CO 0.00 0.21 0.17 -0.74 0.00 0.00 0.00 178.15 177.79 1xtq h HIS 100 N 1.16 0.80 -0.59 1.37 2.76 -0.99 0.12 115.15 119.78 1xtq h HIS 100 Ca 0.37 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1xtq h HIS 100 Cb 0.01 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 1xtq h HIS 100 CO -0.01 0.69 0.26 0.78 -1.30 0.00 0.00 177.93 178.34 1xtq h GLY 101 N 0.69 0.93 1.12 5.26 0.00 -0.65 -1.47 103.07 108.96 1xtq h GLY 101 Ca 0.16 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1xtq h GLY 101 CO -0.01 0.46 0.12 0.50 0.00 0.00 0.00 176.54 177.61 1xtq h LYS 102 N 0.81 1.08 -0.40 4.80 1.57 -0.81 -1.97 116.57 121.65 1xtq h LYS 102 Ca 0.20 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xtq h LYS 102 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1xtq h LYS 102 CO -0.02 0.98 0.23 1.25 -0.57 0.00 0.00 179.45 181.32 1xtq h LEU 103 N 1.01 0.49 -1.30 2.94 5.85 -0.65 -0.29 115.31 123.37 1xtq h LEU 103 Ca 0.20 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1xtq h LEU 103 Cb 0.42 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1xtq h LEU 103 CO 0.01 0.41 0.05 -0.07 -0.34 0.00 0.00 178.44 178.50 1xtq h LEU 104 N 0.52 0.48 -0.38 2.25 3.38 -1.10 -1.46 115.31 119.01 1xtq h LEU 104 Ca 0.14 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1xtq h LEU 104 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xtq h LEU 104 CO -0.03 0.52 -0.17 0.44 0.09 0.00 0.00 178.44 179.30 1xtq h ASP 105 N 0.51 0.80 -0.08 -0.43 3.45 -0.75 0.34 116.42 120.25 1xtq h ASP 105 Ca 0.11 -0.40 -0.16 0.00 0.43 0.00 0.00 57.03 57.01 1xtq h ASP 105 Cb 0.26 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1xtq h ASP 105 CO 0.00 1.02 -0.52 0.24 -1.57 0.00 0.00 179.24 178.41 1xtq h MET 106 N 0.57 0.66 0.06 3.56 2.86 -0.72 -3.32 114.93 118.61 1xtq h MET 106 Ca 0.09 -0.40 -0.32 0.00 -2.06 0.00 0.00 59.70 57.00 1xtq h MET 106 Cb 0.71 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1xtq h MET 106 CO 0.05 1.02 -1.83 1.33 1.06 0.00 0.00 176.91 178.54 1xtq n VAL 107 N -3.98 1.69 0.00 -2.22 0.24 -0.58 -5.07 118.33 108.41 1xtq n VAL 107 Ca -0.03 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1xtq n VAL 107 Cb 0.60 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 1xtq n VAL 107 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xtq n GLY 108 N 1.75 0.71 1.14 7.63 0.00 0.11 -4.38 105.19 112.15 1xtq n GLY 108 Ca -0.23 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.37 1xtq n GLY 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xtq n LYS 109 N 0.00 2.81 0.00 1.61 5.02 -1.26 -4.67 118.16 121.67 1xtq n LYS 109 Ca 0.00 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1xtq n LYS 109 Cb 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1xtq n LYS 109 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xtq n VAL 110 N -0.59 1.47 -3.82 -0.18 0.31 -1.26 -4.80 118.33 109.46 1xtq n VAL 110 Ca 0.27 0.42 -0.24 0.00 -0.01 0.00 0.00 64.34 64.78 1xtq n VAL 110 Cb 1.01 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 32.53 1xtq n VAL 110 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xtq n GLN 111 N -1.36 -3.61 -1.74 5.55 7.27 -1.26 -4.89 117.38 117.34 1xtq n GLN 111 Ca 0.00 0.50 -0.36 0.00 0.07 0.00 0.00 57.00 57.20 1xtq n GLN 111 Cb 0.05 -4.73 0.07 0.00 2.41 0.00 0.00 30.24 28.04 1xtq n GLN 111 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1xtq s ILE 112 N -3.79 2.14 -0.18 1.69 -4.36 -1.26 -4.96 121.20 110.49 1xtq s ILE 112 Ca 0.07 0.08 -0.29 0.00 -0.26 0.00 0.00 60.65 60.25 1xtq s ILE 112 Cb -0.02 -2.99 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 1xtq s ILE 112 CO 0.85 -0.02 1.27 -2.84 0.24 0.00 0.00 174.94 174.45 1xtq s PRO 113 N -3.43 4.19 -0.00 0.37 0.02 -1.26 -5.02 135.00 129.87 1xtq s PRO 113 Ca 0.81 1.62 0.05 0.00 0.02 0.00 0.00 61.00 63.50 1xtq s PRO 113 Cb -0.36 -3.78 -0.01 0.00 0.02 0.00 0.00 34.50 30.37 1xtq s PRO 113 CO 0.39 -0.76 -0.16 0.42 -0.33 0.00 0.00 177.00 176.57 1xtq s ILE 114 N 3.62 1.23 -0.11 2.83 1.01 -1.26 -1.50 121.20 127.02 1xtq s ILE 114 Ca 0.55 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1xtq s ILE 114 Cb -0.21 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.25 1xtq s ILE 114 CO 0.16 0.31 -0.07 -0.32 0.00 0.00 0.00 174.94 175.02 1xtq s MET 115 N -0.47 1.41 -0.04 2.79 -2.45 -0.35 -2.34 119.30 117.84 1xtq s MET 115 Ca 0.06 -0.22 -0.19 0.00 -1.25 0.00 0.00 55.69 54.09 1xtq s MET 115 Cb -0.06 -1.52 -0.05 0.00 1.25 0.00 0.00 34.83 34.44 1xtq s MET 115 CO -0.00 -0.28 0.53 -1.17 1.05 0.00 0.00 175.02 175.16 1xtq s LEU 116 N 1.74 4.37 -0.08 4.11 2.96 -0.06 -0.44 118.68 131.28 1xtq s LEU 116 Ca 0.05 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1xtq s LEU 116 Cb -0.13 -2.81 0.02 0.00 0.50 0.00 0.00 46.19 43.78 1xtq s LEU 116 CO -0.08 0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.28 1xtq s VAL 117 N 0.01 0.88 -0.57 1.68 1.01 0.36 -2.48 120.40 121.28 1xtq s VAL 117 Ca 0.29 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1xtq s VAL 117 Cb -0.17 -0.89 0.13 0.00 0.00 0.00 0.00 36.38 35.46 1xtq s VAL 117 CO 0.14 0.32 0.57 -0.83 0.00 0.00 0.00 175.10 175.30 1xtq s GLY 118 N 1.32 2.06 0.71 4.51 0.00 -0.67 -1.10 107.32 114.15 1xtq s GLY 118 Ca -0.03 -2.54 -0.05 0.00 0.00 0.00 0.00 44.72 42.10 1xtq s GLY 118 CO -0.03 1.29 1.01 0.21 0.00 0.00 0.00 173.10 175.58 1xtq s ASN 119 N 3.50 4.59 -0.98 1.64 2.47 -0.14 -0.59 114.94 125.44 1xtq s ASN 119 Ca 0.06 0.19 -0.00 0.00 0.42 0.00 0.00 52.86 53.53 1xtq s ASN 119 Cb -0.27 -0.75 0.00 0.00 -1.45 0.00 0.00 41.25 38.78 1xtq s ASN 119 CO 0.03 -1.71 0.03 0.29 -3.72 0.00 0.00 177.10 172.02 1xtq n LYS 120 N -2.91 -1.10 0.14 0.43 5.02 -0.50 -1.33 118.16 117.91 1xtq n LYS 120 Ca 0.10 0.56 0.11 0.00 -2.02 0.00 0.00 58.31 57.05 1xtq n LYS 120 Cb 0.60 -4.69 0.52 0.00 -0.02 0.00 0.00 35.03 31.45 1xtq n LYS 120 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1xtq n LYS 121 N -2.16 0.15 0.20 1.97 2.85 -0.40 -1.96 118.16 118.81 1xtq n LYS 121 Ca -0.13 0.56 0.08 0.00 -1.05 0.00 0.00 58.31 57.76 1xtq n LYS 121 Cb 0.60 -1.90 0.29 0.00 -0.65 0.00 0.00 35.03 33.37 1xtq n LYS 121 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1xtq h ASP 122 N 0.00 0.00 -0.23 -5.58 3.04 -1.91 -3.35 116.42 108.39 1xtq h ASP 122 Ca 0.00 0.00 -0.70 0.00 -3.24 0.00 0.00 57.03 53.09 1xtq h ASP 122 Cb 0.12 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.39 1xtq h ASP 122 CO 0.00 0.30 3.33 0.18 -2.04 0.00 0.00 179.24 181.00 1xtq n LEU 123 N -3.32 7.89 -0.27 0.15 4.77 -0.83 -4.74 117.00 120.66 1xtq n LEU 123 Ca 0.01 -4.37 0.08 0.00 -0.03 0.00 0.00 56.01 51.70 1xtq n LEU 123 Cb 0.54 -1.57 0.22 0.00 -2.33 0.00 0.00 43.42 40.28 1xtq n LEU 123 CO 0.36 1.69 0.95 0.45 -1.33 0.00 0.00 177.39 179.51 1xtq h HIS 124 N 5.36 0.34 -0.89 -1.77 3.86 -1.84 -1.69 115.15 118.51 1xtq h HIS 124 Ca 0.72 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.97 1xtq h HIS 124 Cb 0.43 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1xtq h HIS 124 CO 1.66 -0.10 0.57 0.52 0.86 0.00 0.00 177.93 181.44 1xtq h MET 125 N 0.28 1.19 -0.21 2.45 2.86 -1.96 -2.98 114.93 116.56 1xtq h MET 125 Ca 0.46 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1xtq h MET 125 Cb 0.83 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1xtq h MET 125 CO -0.54 0.81 0.00 0.39 1.06 0.00 0.00 176.91 178.63 1xtq n GLU 126 N -4.43 1.76 -2.06 1.72 1.02 -0.67 -4.95 120.64 113.04 1xtq n GLU 126 Ca 0.10 -1.15 -0.42 0.00 -0.02 0.00 0.00 57.16 55.67 1xtq n GLU 126 Cb 0.03 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 1xtq n GLU 126 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1xtq s ARG 127 N -1.73 4.29 0.00 3.49 3.52 -1.02 -4.29 118.95 123.20 1xtq s ARG 127 Ca 0.31 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 1xtq s ARG 127 Cb 0.17 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1xtq s ARG 127 CO 0.25 -0.42 0.03 1.33 -0.81 0.00 0.00 175.30 175.68 1xtq n VAL 128 N 2.81 0.00 -4.75 7.11 0.24 0.75 -4.96 118.33 119.53 1xtq n VAL 128 Ca 0.08 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.34 61.82 1xtq n VAL 128 Cb 0.41 1.06 -0.15 0.00 -1.47 0.00 0.00 33.84 33.69 1xtq n VAL 128 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xtq s ILE 129 N -0.42 2.74 0.55 1.34 -1.09 -0.70 -4.91 121.20 118.71 1xtq s ILE 129 Ca 0.00 -0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 57.59 1xtq s ILE 129 Cb 0.00 -2.14 -0.03 0.00 -1.58 0.00 0.00 42.46 38.72 1xtq s ILE 129 CO 0.00 0.53 0.88 -0.94 -1.23 0.00 0.00 174.94 174.18 1xtq s SER 130 N 0.54 6.07 0.24 3.58 1.04 -1.26 -4.88 113.70 119.03 1xtq s SER 130 Ca -0.10 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.28 1xtq s SER 130 Cb -0.16 -2.17 0.28 0.00 0.10 0.00 0.00 66.02 64.07 1xtq s SER 130 CO 0.04 -0.79 1.87 0.22 0.98 0.00 0.00 173.24 175.56 1xtq h TYR 131 N -0.04 1.02 -0.58 5.02 3.20 -1.99 -2.35 116.97 121.25 1xtq h TYR 131 Ca -0.46 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 1xtq h TYR 131 Cb 1.21 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1xtq h TYR 131 CO 0.57 0.57 0.35 0.93 -1.64 0.00 0.00 178.16 178.94 1xtq h GLU 132 N 1.05 0.80 -0.54 1.82 3.07 -1.98 0.30 114.58 119.09 1xtq h GLU 132 Ca 0.35 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1xtq h GLU 132 Cb 0.05 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 1xtq h GLU 132 CO -0.13 0.57 0.30 0.93 -1.40 0.00 0.00 179.01 179.28 1xtq h GLU 133 N 0.79 0.75 -0.30 2.33 5.08 -1.84 0.10 114.58 121.49 1xtq h GLU 133 Ca 0.21 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1xtq h GLU 133 Cb -0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1xtq h GLU 133 CO -0.04 0.58 0.14 0.78 -1.00 0.00 0.00 179.01 179.47 1xtq h GLY 134 N 0.72 0.47 1.18 -3.84 0.00 -1.10 -2.24 103.07 98.25 1xtq h GLY 134 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1xtq h GLY 134 CO -0.03 0.22 0.32 1.70 0.00 0.00 0.00 176.54 178.75 1xtq h LYS 135 N 0.35 1.06 -0.69 4.80 3.64 -0.63 -2.10 116.57 123.00 1xtq h LYS 135 Ca 0.10 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1xtq h LYS 135 Cb 0.13 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1xtq h LYS 135 CO -0.01 0.84 0.28 0.00 -2.27 0.00 0.00 179.45 178.28 1xtq h ALA 136 N 1.31 1.19 0.02 5.00 0.00 -0.56 -1.09 119.26 125.12 1xtq h ALA 136 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xtq h ALA 136 Cb 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xtq h ALA 136 CO -0.03 0.59 -0.01 1.25 0.00 0.00 0.00 179.25 181.05 1xtq h LEU 137 N 1.00 -0.03 -0.98 0.00 5.85 -1.01 -0.75 115.31 119.39 1xtq h LEU 137 Ca 0.23 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1xtq h LEU 137 Cb 0.19 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1xtq h LEU 137 CO -0.02 0.24 0.63 0.00 -0.34 0.00 0.00 178.44 178.95 1xtq h ALA 138 N 0.68 1.38 -0.19 1.25 0.00 -1.21 -0.37 119.26 120.81 1xtq h ALA 138 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xtq h ALA 138 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xtq h ALA 138 CO 0.01 0.37 -0.28 0.93 0.00 0.00 0.00 179.25 180.28 1xtq h GLU 139 N 1.11 0.36 -0.28 0.00 5.08 -1.00 0.43 114.58 120.28 1xtq h GLU 139 Ca 0.44 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1xtq h GLU 139 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xtq h GLU 139 CO -0.19 0.61 0.11 0.77 -1.00 0.00 0.00 179.01 179.31 1xtq h SER 140 N 0.31 0.35 0.20 1.42 0.02 0.46 -2.25 113.55 114.06 1xtq h SER 140 Ca 0.05 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xtq h SER 140 Cb 0.66 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1xtq h SER 140 CO 0.05 0.32 -0.80 0.79 -1.14 0.00 0.00 176.83 176.05 1xtq n TRP 141 N -4.42 0.00 -3.44 3.45 8.01 -0.71 -4.96 117.44 115.38 1xtq n TRP 141 Ca 0.01 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 56.00 1xtq n TRP 141 Cb 0.13 -0.10 0.08 0.00 -2.01 0.00 0.00 31.31 29.41 1xtq n TRP 141 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1xtq n ASN 142 N -1.50 -4.69 -4.73 -0.99 4.05 0.13 -5.01 115.26 102.51 1xtq n ASN 142 Ca 0.05 -0.52 -0.23 0.00 0.45 0.00 0.00 54.58 54.33 1xtq n ASN 142 Cb 0.33 -4.66 -0.06 0.00 1.23 0.00 0.00 39.78 36.62 1xtq n ASN 142 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xtq s ALA 143 N -3.30 3.51 0.61 5.20 0.00 0.25 -4.97 121.76 123.06 1xtq s ALA 143 Ca 0.36 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.34 1xtq s ALA 143 Cb -0.16 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1xtq s ALA 143 CO 0.66 0.02 1.04 0.00 0.00 0.00 0.00 175.76 177.49 1xtq s ALA 144 N -2.43 2.83 -0.02 0.00 0.00 -0.99 -4.56 121.76 116.59 1xtq s ALA 144 Ca 0.38 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1xtq s ALA 144 Cb -0.02 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1xtq s ALA 144 CO 0.23 -0.82 0.07 0.12 0.00 0.00 0.00 175.76 175.36 1xtq s PHE 145 N -2.75 -0.04 -0.06 0.00 5.36 -1.26 -0.88 117.98 118.35 1xtq s PHE 145 Ca 0.60 0.10 -0.31 0.00 -0.96 0.00 0.00 56.93 56.36 1xtq s PHE 145 Cb -0.14 -0.00 0.07 0.00 -0.34 0.00 0.00 43.02 42.62 1xtq s PHE 145 CO 0.43 -0.08 0.70 -1.17 -1.46 0.00 0.00 175.22 173.65 1xtq s LEU 146 N -0.24 -0.64 0.18 6.12 2.96 -1.03 -5.00 118.68 121.02 1xtq s LEU 146 Ca -0.03 0.69 0.06 0.00 -0.22 0.00 0.00 54.13 54.63 1xtq s LEU 146 Cb -0.02 2.49 -0.04 0.00 0.50 0.00 0.00 46.19 49.12 1xtq s LEU 146 CO 0.00 -0.59 0.11 -1.61 -1.32 0.00 0.00 176.35 172.94 1xtq s GLU 147 N -1.21 2.79 0.36 1.98 2.02 -1.26 -1.67 118.70 121.72 1xtq s GLU 147 Ca -0.10 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 53.89 1xtq s GLU 147 Cb -0.00 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.68 1xtq s GLU 147 CO 0.09 0.47 0.55 -1.54 0.02 0.00 0.00 175.26 174.85 1xtq s SER 148 N -3.18 0.84 -0.19 -0.19 1.04 0.24 -4.87 113.70 107.40 1xtq s SER 148 Ca 0.30 -1.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.21 1xtq s SER 148 Cb -0.10 0.72 0.09 0.00 0.10 0.00 0.00 66.02 66.84 1xtq s SER 148 CO 0.23 -1.41 0.35 -0.55 0.98 0.00 0.00 173.24 172.84 1xtq s SER 149 N -3.22 0.17 0.18 7.02 0.15 -1.26 -1.27 113.70 115.46 1xtq s SER 149 Ca 0.28 0.60 0.10 0.00 0.70 0.00 0.00 55.95 57.63 1xtq s SER 149 Cb -0.02 1.03 0.53 0.00 -1.71 0.00 0.00 66.02 65.86 1xtq s SER 149 CO 0.20 -0.26 1.23 0.00 1.20 0.00 0.00 173.24 175.61 1xtq n ALA 150 N 5.37 0.82 0.39 5.45 0.00 -1.26 -0.29 120.51 130.99 1xtq n ALA 150 Ca -0.06 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1xtq n ALA 150 Cb 0.50 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 19.07 1xtq n ALA 150 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xtq n LYS 151 N -1.83 0.41 -3.62 0.00 5.02 -1.26 -4.64 118.16 112.25 1xtq n LYS 151 Ca -0.01 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 1xtq n LYS 151 Cb 0.14 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 1xtq n LYS 151 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xtq s GLU 152 N -3.25 2.61 0.32 1.97 2.02 0.60 -4.95 118.70 118.02 1xtq s GLU 152 Ca 0.03 -2.20 0.09 0.00 0.02 0.00 0.00 54.97 52.91 1xtq s GLU 152 Cb 0.12 -3.87 0.93 0.00 0.10 0.00 0.00 34.13 31.41 1xtq s GLU 152 CO 0.77 -1.18 1.64 -0.97 0.02 0.00 0.00 175.26 175.53 1xtq h ASN 153 N 7.70 0.21 0.20 -0.19 -0.73 -1.83 0.49 115.58 121.44 1xtq h ASN 153 Ca -0.07 0.21 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 1xtq h ASN 153 Cb 1.01 0.23 -0.00 0.00 0.27 0.00 0.00 38.32 39.83 1xtq h ASN 153 CO 0.76 -0.19 -0.16 -0.61 -0.37 0.00 0.00 177.43 176.86 1xtq h GLN 154 N 0.22 0.00 -0.03 6.67 5.75 -1.93 -0.37 115.11 125.42 1xtq h GLN 154 Ca 0.66 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.96 1xtq h GLN 154 Cb 1.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.01 1xtq h GLN 154 CO -0.67 0.16 -0.83 1.79 -2.65 0.00 0.00 178.83 176.63 1xtq h THR 155 N 0.00 1.42 -0.31 2.39 1.35 -1.20 -1.64 112.91 114.92 1xtq h THR 155 Ca -0.00 -2.38 -0.15 0.00 -0.55 0.00 0.00 66.41 63.33 1xtq h THR 155 Cb 0.31 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1xtq h THR 155 CO 0.02 0.70 -0.40 0.00 -0.25 0.00 0.00 175.52 175.59 1xtq h ALA 156 N 0.91 0.71 -0.42 6.62 0.00 -1.22 -2.07 119.26 123.79 1xtq h ALA 156 Ca -0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1xtq h ALA 156 Cb 1.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1xtq h ALA 156 CO 0.14 0.66 -0.24 0.28 0.00 0.00 0.00 179.25 180.09 1xtq h VAL 157 N 0.61 1.28 -0.77 0.00 2.07 -1.04 -2.80 116.25 115.60 1xtq h VAL 157 Ca 0.05 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1xtq h VAL 157 Cb 0.95 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1xtq h VAL 157 CO 0.09 0.47 0.38 0.44 0.02 0.00 0.00 177.57 178.97 1xtq h ASP 158 N 0.73 1.00 0.57 0.57 3.32 -1.19 -0.68 116.42 120.74 1xtq h ASP 158 Ca 0.09 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1xtq h ASP 158 Cb 0.82 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1xtq h ASP 158 CO 0.07 0.84 -0.32 0.58 -1.72 0.00 0.00 179.24 178.69 1xtq h VAL 159 N 1.10 0.35 -0.38 -1.35 2.07 -1.23 -0.18 116.25 116.62 1xtq h VAL 159 Ca 0.27 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.72 1xtq h VAL 159 Cb 0.10 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1xtq h VAL 159 CO -0.04 0.00 -0.06 -0.26 0.02 0.00 0.00 177.57 177.23 1xtq h PHE 160 N -0.83 0.69 -0.69 1.57 0.04 -1.35 -1.92 116.94 114.44 1xtq h PHE 160 Ca -0.07 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.53 1xtq h PHE 160 Cb 0.66 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1xtq h PHE 160 CO -0.07 0.69 0.15 0.00 -0.60 0.00 0.00 178.31 178.47 1xtq h ARG 161 N 0.60 1.13 -0.44 1.51 3.08 -1.05 -2.81 114.38 116.39 1xtq h ARG 161 Ca 0.11 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1xtq h ARG 161 Cb 0.47 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1xtq h ARG 161 CO 0.02 1.00 0.23 -0.09 -1.07 0.00 0.00 179.97 180.07 1xtq h ARG 162 N 1.06 0.62 -0.16 0.04 9.65 -0.45 -2.23 114.38 122.91 1xtq h ARG 162 Ca 0.22 -0.08 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1xtq h ARG 162 Cb 0.40 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1xtq h ARG 162 CO 0.01 0.51 -0.16 0.97 2.80 0.00 0.00 179.97 184.09 1xtq h ILE 163 N 0.57 1.20 -0.61 1.20 6.09 -1.28 -0.32 117.51 124.36 1xtq h ILE 163 Ca 0.15 -0.88 -0.04 0.00 -1.37 0.00 0.00 64.86 62.72 1xtq h ILE 163 Cb 0.07 1.25 -0.03 0.00 0.47 0.00 0.00 36.82 38.59 1xtq h ILE 163 CO -0.02 0.27 0.23 0.40 -3.07 0.00 0.00 178.15 175.96 1xtq h ILE 164 N 0.24 1.23 -0.33 2.19 2.04 -1.21 0.30 117.51 121.98 1xtq h ILE 164 Ca 0.05 -0.75 -0.15 0.00 1.00 0.00 0.00 64.86 65.00 1xtq h ILE 164 Cb 0.43 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1xtq h ILE 164 CO 0.03 0.29 -0.40 -0.07 0.00 0.00 0.00 178.15 178.00 1xtq h LEU 165 N 0.86 0.86 -0.52 1.44 3.38 -0.80 -1.09 115.31 119.44 1xtq h LEU 165 Ca 0.20 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1xtq h LEU 165 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1xtq h LEU 165 CO -0.01 1.15 0.31 -0.08 0.09 0.00 0.00 178.44 179.90 1xtq h GLU 166 N 0.66 0.71 0.01 1.13 4.57 -0.78 0.25 114.58 121.12 1xtq h GLU 166 Ca 0.05 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1xtq h GLU 166 Cb 0.96 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1xtq h GLU 166 CO 0.09 0.52 -0.07 0.00 -1.18 0.00 0.00 179.01 178.37 1xtq h ALA 167 N 1.15 -0.08 -0.72 2.92 0.00 -0.68 -0.65 119.26 121.19 1xtq h ALA 167 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xtq h ALA 167 Cb -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1xtq h ALA 167 CO -0.03 -0.57 0.48 0.93 0.00 0.00 0.00 179.25 180.06 1xtq h GLU 168 N -0.12 0.95 -0.02 0.00 4.39 -0.80 -0.52 114.58 118.45 1xtq h GLU 168 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xtq h GLU 168 Cb 0.15 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1xtq h GLU 168 CO -0.07 0.63 0.01 -0.22 -1.16 0.00 0.00 179.01 178.20 1xtq h LYS 169 N 0.98 0.03 0.00 2.33 3.64 0.11 -2.46 116.57 121.20 1xtq h LYS 169 Ca 0.27 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1xtq h LYS 169 Cb -0.11 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xtq h LYS 169 CO -0.06 0.21 0.00 -0.07 -2.27 0.00 0.00 179.45 177.26 1xtq h LEU 170 N -0.15 0.00 0.00 5.20 -0.00 -0.84 -3.51 115.31 116.00 1xtq h LEU 170 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1xtq h LEU 170 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1xtq h LEU 170 CO -0.00 0.00 0.00 1.21 -0.00 0.00 0.00 178.44 179.65