#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qth n ASN 2 N 0.00 0.67 -0.15 6.12 6.94 -1.26 -4.91 115.26 122.67 1qth n ASN 2 Ca 0.00 -0.41 0.28 0.00 -0.02 0.00 0.00 54.58 54.43 1qth n ASN 2 Cb 0.00 0.00 0.72 0.00 -2.36 0.00 0.00 39.78 38.14 1qth n ASN 2 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1qth h ILE 3 N 0.41 0.46 0.30 1.53 2.10 -1.97 1.02 117.51 121.37 1qth h ILE 3 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1qth h ILE 3 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.26 1qth h ILE 3 CO 0.00 0.00 -0.14 0.15 -1.08 0.00 0.00 178.15 177.08 1qth h PHE 4 N 0.00 -0.37 -0.12 2.19 3.57 -1.97 0.64 116.94 120.88 1qth h PHE 4 Ca 0.40 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.81 1qth h PHE 4 Cb 1.73 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 1qth h PHE 4 CO 0.00 -0.04 -0.33 0.93 -2.23 0.00 0.00 178.31 176.65 1qth h GLU 5 N -0.76 0.24 -0.21 1.11 4.39 -1.23 0.69 114.58 118.81 1qth h GLU 5 Ca -0.04 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 1qth h GLU 5 Cb 0.50 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1qth h GLU 5 CO 0.07 0.55 -0.12 1.98 -1.16 0.00 0.00 179.01 180.32 1qth h MET 6 N 0.21 0.45 -0.48 2.33 1.85 0.11 -0.46 114.93 118.94 1qth h MET 6 Ca 0.03 -0.20 -0.14 0.00 -0.61 0.00 0.00 59.70 58.78 1qth h MET 6 Cb 0.68 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1qth h MET 6 CO 0.05 0.74 -0.23 -0.07 -0.40 0.00 0.00 176.91 177.01 1qth h LEU 7 N 0.14 1.03 -0.27 3.39 3.38 0.58 0.12 115.31 123.69 1qth h LEU 7 Ca 0.04 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1qth h LEU 7 Cb 0.62 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1qth h LEU 7 CO 0.03 1.20 -0.08 -0.09 0.09 0.00 0.00 178.44 179.60 1qth h ARG 8 N 0.86 -0.01 -0.42 1.13 2.43 0.46 0.65 114.38 119.47 1qth h ARG 8 Ca 0.11 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1qth h ARG 8 Cb 0.81 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1qth h ARG 8 CO 0.07 -0.01 0.26 0.82 -1.51 0.00 0.00 179.97 179.60 1qth h ILE 9 N -0.01 1.13 0.05 1.20 2.04 -0.52 0.28 117.51 121.68 1qth h ILE 9 Ca 0.13 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1qth h ILE 9 Cb 0.21 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1qth h ILE 9 CO -0.28 0.13 -0.03 0.44 0.00 0.00 0.00 178.15 178.41 1qth h ASP 10 N 0.56 -0.06 0.94 1.72 5.19 -0.05 -3.37 116.42 121.35 1qth h ASP 10 Ca 0.15 -0.55 -0.21 0.00 -0.62 0.00 0.00 57.03 55.79 1qth h ASP 10 Cb -0.02 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1qth h ASP 10 CO -0.03 0.65 -1.10 -0.33 -3.12 0.00 0.00 179.24 175.32 1qth h GLU 11 N -0.91 0.00 0.00 3.56 4.39 0.17 -3.51 114.58 118.28 1qth h GLU 11 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1qth h GLU 11 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1qth h GLU 11 CO 0.01 0.83 0.00 0.41 -1.16 0.00 0.00 179.01 179.10 1qth n GLY 12 N 1.38 -2.31 3.04 -3.84 0.00 0.97 -3.84 105.19 100.59 1qth n GLY 12 Ca -0.03 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1qth n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qth s LEU 13 N 0.00 0.70 -0.15 0.99 2.96 -1.25 -3.79 118.68 118.15 1qth s LEU 13 Ca 0.00 0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 54.25 1qth s LEU 13 Cb 0.00 0.65 0.05 0.00 0.50 0.00 0.00 46.19 47.39 1qth s LEU 13 CO 0.00 -0.14 0.38 -0.13 -1.32 0.00 0.00 176.35 175.14 1qth s ARG 14 N 0.92 0.39 0.03 1.98 0.52 -0.51 -4.98 118.95 117.29 1qth s ARG 14 Ca -0.07 0.64 0.27 0.00 -0.52 0.00 0.00 55.73 56.05 1qth s ARG 14 Cb -0.08 0.07 0.81 0.00 0.52 0.00 0.00 34.95 36.27 1qth s ARG 14 CO -0.06 -0.11 1.64 1.28 0.02 0.00 0.00 175.30 178.07 1qth n LEU 15 N 3.65 0.34 -4.58 2.53 4.77 -1.26 -1.20 117.00 121.25 1qth n LEU 15 Ca -0.19 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1qth n LEU 15 Cb 0.56 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1qth n LEU 15 CO 0.11 0.03 -0.39 -0.54 -1.33 0.00 0.00 177.39 175.28 1qth s LYS 16 N -3.02 2.09 0.31 3.23 1.02 -1.26 -0.98 119.74 121.12 1qth s LYS 16 Ca 0.12 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.37 1qth s LYS 16 Cb 0.17 -2.08 -0.13 0.00 -0.52 0.00 0.00 37.83 35.28 1qth s LYS 16 CO 0.62 0.38 1.33 -0.89 -0.92 0.00 0.00 175.35 175.88 1qth n ILE 17 N -0.54 1.63 -3.99 2.17 5.41 0.21 -4.71 119.36 119.54 1qth n ILE 17 Ca -0.08 -0.41 -0.09 0.00 1.00 0.00 0.00 62.75 63.17 1qth n ILE 17 Cb 0.58 -1.55 -0.08 0.00 -0.71 0.00 0.00 39.64 37.88 1qth n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1qth s TYR 18 N -0.72 0.46 -0.20 1.39 -0.85 0.31 -4.95 117.35 112.79 1qth s TYR 18 Ca 0.60 -0.85 -0.07 0.00 -0.52 0.00 0.00 57.07 56.23 1qth s TYR 18 Cb -0.59 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.54 1qth s TYR 18 CO 0.58 -0.63 0.05 0.21 -1.52 0.00 0.00 175.55 174.24 1qth s LYS 19 N -3.96 3.83 0.00 -3.49 2.20 -1.25 0.22 119.74 117.28 1qth s LYS 19 Ca 0.16 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1qth s LYS 19 Cb 0.05 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1qth s LYS 19 CO -0.02 0.12 0.00 -0.40 -0.36 0.00 0.00 175.35 174.69 1qth n ASP 20 N 3.98 -0.50 0.17 1.43 5.68 0.25 -4.86 116.55 122.71 1qth n ASP 20 Ca -0.16 -0.75 0.13 0.00 -0.50 0.00 0.00 54.79 53.51 1qth n ASP 20 Cb 0.52 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.91 1qth n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1qth h THR 21 N -1.25 0.00 0.06 2.12 1.35 -1.98 -2.57 112.91 110.64 1qth h THR 21 Ca 0.00 -0.59 -0.25 0.00 -0.55 0.00 0.00 66.41 65.03 1qth h THR 21 Cb 0.00 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1qth h THR 21 CO 0.00 0.00 -1.17 -0.33 -0.25 0.00 0.00 175.52 173.77 1qth h GLU 22 N 0.00 0.12 0.00 4.72 4.39 -2.03 -3.47 114.58 118.30 1qth h GLU 22 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1qth h GLU 22 Cb 0.70 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1qth h GLU 22 CO 0.00 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 179.32 1qth n GLY 23 N 1.45 1.71 3.74 -3.84 0.00 -0.97 -5.13 105.19 102.16 1qth n GLY 23 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1qth n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qth s TYR 24 N -1.98 2.31 -0.10 1.61 4.12 -1.26 -4.35 117.35 117.70 1qth s TYR 24 Ca 0.00 1.59 -0.28 0.00 0.02 0.00 0.00 57.07 58.40 1qth s TYR 24 Cb 0.00 -3.29 -0.02 0.00 -1.52 0.00 0.00 41.96 37.14 1qth s TYR 24 CO 0.00 -2.15 0.94 0.71 0.02 0.00 0.00 175.55 175.07 1qth s TYR 25 N -2.28 3.52 0.06 2.71 1.51 -1.07 -0.58 117.35 121.21 1qth s TYR 25 Ca 0.69 1.50 0.01 0.00 -1.01 0.00 0.00 57.07 58.26 1qth s TYR 25 Cb -0.24 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.47 1qth s TYR 25 CO 0.46 -0.18 -0.05 0.99 -1.11 0.00 0.00 175.55 175.66 1qth s THR 26 N 1.82 0.41 0.21 -0.71 2.01 0.58 0.51 115.64 120.47 1qth s THR 26 Ca 0.46 -1.54 -0.18 0.00 0.31 0.00 0.00 61.69 60.74 1qth s THR 26 Cb -0.18 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.20 1qth s THR 26 CO 0.18 -0.75 0.54 -0.51 -0.69 0.00 0.00 174.62 173.40 1qth s ILE 27 N -2.88 0.02 0.00 1.82 2.07 -0.39 0.11 121.20 121.96 1qth s ILE 27 Ca 0.01 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.43 1qth s ILE 27 Cb 0.00 -1.65 0.00 0.00 0.13 0.00 0.00 42.46 40.94 1qth s ILE 27 CO -0.05 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1qth n GLY 28 N -0.36 2.16 3.20 1.50 0.00 -0.34 0.14 105.19 111.49 1qth n GLY 28 Ca -0.09 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1qth n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qth s ILE 29 N 0.00 4.77 -1.47 -0.61 1.01 -1.25 -1.43 121.20 122.23 1qth s ILE 29 Ca 0.00 -3.16 -0.12 0.00 0.00 0.00 0.00 60.65 57.38 1qth s ILE 29 Cb 0.00 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.56 1qth s ILE 29 CO 0.00 -1.03 1.04 0.61 0.00 0.00 0.00 174.94 175.57 1qth n GLY 30 N 3.17 -0.51 3.54 6.18 0.00 -1.23 -4.92 105.19 111.43 1qth n GLY 30 Ca 0.16 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1qth n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qth s HIS 31 N -3.32 3.02 0.10 1.61 5.04 0.36 -4.89 115.29 117.21 1qth s HIS 31 Ca 0.61 0.19 -0.31 0.00 -1.54 0.00 0.00 55.06 54.01 1qth s HIS 31 Cb -0.29 -3.59 -0.08 0.00 0.04 0.00 0.00 32.58 28.66 1qth s HIS 31 CO 0.80 -0.94 1.48 -1.17 -2.34 0.00 0.00 174.74 172.57 1qth s LEU 32 N 3.21 4.36 -0.17 8.88 0.20 -1.26 -1.26 118.68 132.63 1qth s LEU 32 Ca 0.29 2.38 -0.17 0.00 0.69 0.00 0.00 54.13 57.33 1qth s LEU 32 Cb -0.12 -3.58 -0.22 0.00 -0.43 0.00 0.00 46.19 41.84 1qth s LEU 32 CO 0.22 -0.75 0.30 -0.07 -0.29 0.00 0.00 176.35 175.76 1qth h LEU 33 N 7.39 0.17 -7.09 -0.68 3.38 -0.31 -3.48 115.31 114.69 1qth h LEU 33 Ca -0.42 -0.68 0.21 0.00 0.09 0.00 0.00 57.88 57.08 1qth h LEU 33 Cb 1.20 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.74 1qth h LEU 33 CO 0.89 1.62 0.69 0.28 0.09 0.00 0.00 178.44 182.01 1qth s THR 34 N -2.43 0.00 -0.35 0.22 -1.32 -1.23 -4.91 115.64 105.62 1qth s THR 34 Ca -0.26 -0.09 0.23 0.00 -1.21 0.00 0.00 61.69 60.36 1qth s THR 34 Cb 0.06 -1.22 -0.08 0.00 -1.51 0.00 0.00 72.50 69.74 1qth s THR 34 CO 0.66 0.00 0.97 0.29 -2.21 0.00 0.00 174.62 174.34 1qth n LYS 35 N -0.23 0.49 -1.73 7.08 5.02 -1.26 -2.60 118.16 124.93 1qth n LYS 35 Ca -0.04 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1qth n LYS 35 Cb 0.60 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1qth n LYS 35 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qth n SER 36 N -2.34 3.30 -3.56 4.39 7.64 -1.26 -4.81 113.62 116.98 1qth n SER 36 Ca 0.00 1.21 -0.41 0.00 1.01 0.00 0.00 58.87 60.68 1qth n SER 36 Cb 0.51 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.15 1qth n SER 36 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1qth n PRO 37 N 0.74 3.50 -3.58 1.43 -0.04 -1.26 -4.74 135.00 131.05 1qth n PRO 37 Ca 0.04 -2.69 -0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1qth n PRO 37 Cb 0.37 -2.97 -0.04 0.00 -0.04 0.00 0.00 33.50 30.82 1qth n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qth s SER 38 N 2.12 -1.07 0.12 3.54 0.15 -1.26 -5.05 113.70 112.26 1qth s SER 38 Ca 0.55 1.41 0.23 0.00 0.70 0.00 0.00 55.95 58.85 1qth s SER 38 Cb 0.15 2.19 0.91 0.00 -1.71 0.00 0.00 66.02 67.57 1qth s SER 38 CO -0.07 -0.20 1.72 -0.11 1.20 0.00 0.00 173.24 175.78 1qth n LEU 39 N 5.37 0.39 0.12 3.45 7.94 -1.26 -2.91 117.00 130.10 1qth n LEU 39 Ca -0.11 0.56 -0.24 0.00 -1.11 0.00 0.00 56.01 55.11 1qth n LEU 39 Cb 0.50 -0.47 -0.16 0.00 0.53 0.00 0.00 43.42 43.82 1qth n LEU 39 CO -0.04 -0.26 -0.30 0.78 -1.11 0.00 0.00 177.39 176.46 1qth h ASN 40 N 0.00 0.75 -0.51 1.96 -0.26 -1.97 0.73 115.58 116.28 1qth h ASN 40 Ca 0.00 -0.93 0.06 0.00 -0.56 0.00 0.00 56.30 54.88 1qth h ASN 40 Cb 0.46 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.45 1qth h ASN 40 CO 0.00 1.71 0.34 0.00 -1.06 0.00 0.00 177.43 178.43 1qth h ALA 41 N 0.13 1.92 0.10 -0.83 0.00 -1.93 0.79 119.26 119.44 1qth h ALA 41 Ca -0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1qth h ALA 41 Cb 2.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1qth h ALA 41 CO 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.43 1qth h ALA 42 N 1.72 -0.13 -0.69 0.00 0.00 -1.40 0.12 119.26 118.88 1qth h ALA 42 Ca 0.22 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1qth h ALA 42 Cb 0.33 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 1qth h ALA 42 CO -0.06 -0.21 0.12 0.87 0.00 0.00 0.00 179.25 179.98 1qth h LYS 43 N -0.87 0.22 -0.22 0.00 1.79 0.99 -0.10 116.57 118.39 1qth h LYS 43 Ca -0.01 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1qth h LYS 43 Cb 0.57 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1qth h LYS 43 CO 0.02 0.15 0.13 0.77 -1.08 0.00 0.00 179.45 179.44 1qth h SER 44 N 0.23 0.27 -0.20 0.86 0.02 0.64 0.11 113.55 115.47 1qth h SER 44 Ca 0.38 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1qth h SER 44 Cb 0.63 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1qth h SER 44 CO -0.51 0.24 0.11 -0.33 -1.14 0.00 0.00 176.83 175.20 1qth h GLU 45 N 0.27 0.23 0.01 3.45 4.39 -0.06 -3.16 114.58 119.70 1qth h GLU 45 Ca 0.08 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1qth h GLU 45 Cb 0.02 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1qth h GLU 45 CO -0.01 0.15 -0.01 1.25 -1.16 0.00 0.00 179.01 179.22 1qth h LEU 46 N 0.23 -0.04 -1.03 1.33 5.85 -0.62 -2.33 115.31 118.70 1qth h LEU 46 Ca 0.08 0.00 0.40 0.00 0.84 0.00 0.00 57.88 59.20 1qth h LEU 46 Cb 0.00 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 40.90 1qth h LEU 46 CO -0.04 -0.02 0.60 0.47 -0.34 0.00 0.00 178.44 179.11 1qth n ASP 47 N -2.43 0.27 0.02 1.25 9.92 0.34 -1.60 116.55 124.32 1qth n ASP 47 Ca -0.00 1.40 -0.19 0.00 -0.53 0.00 0.00 54.79 55.48 1qth n ASP 47 Cb 0.01 -0.69 -0.12 0.00 -0.64 0.00 0.00 41.12 39.69 1qth n ASP 47 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1qth h LYS 48 N 0.00 0.45 0.00 -1.24 3.64 -1.43 0.66 116.57 118.64 1qth h LYS 48 Ca 0.78 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1qth h LYS 48 Cb 2.22 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 34.20 1qth h LYS 48 CO -0.59 1.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 1qth n ALA 49 N -2.61 2.26 -0.01 5.00 0.00 -0.63 -2.57 120.51 121.96 1qth n ALA 49 Ca -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.21 1qth n ALA 49 Cb 0.74 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 1qth n ALA 49 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1qth n ILE 50 N -0.92 0.13 -0.87 0.00 2.08 -0.99 -5.03 119.36 113.77 1qth n ILE 50 Ca 0.13 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1qth n ILE 50 Cb 0.06 -0.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 1qth n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qth n GLY 51 N 2.67 0.75 3.24 7.39 0.00 0.16 -5.04 105.19 114.36 1qth n GLY 51 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1qth n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qth s ARG 52 N -0.13 1.14 -0.91 1.61 1.70 -0.79 -5.00 118.95 116.58 1qth s ARG 52 Ca 0.00 -1.49 -0.21 0.00 -0.47 0.00 0.00 55.73 53.56 1qth s ARG 52 Cb 0.00 0.29 0.09 0.00 -0.57 0.00 0.00 34.95 34.76 1qth s ARG 52 CO 0.00 -0.38 1.22 -0.80 -1.08 0.00 0.00 175.30 174.26 1qth s ASN 53 N -3.09 6.49 0.10 -2.89 0.02 -1.26 -4.27 114.94 110.04 1qth s ASN 53 Ca 0.30 -1.59 -0.12 0.00 -1.02 0.00 0.00 52.86 50.43 1qth s ASN 53 Cb 0.06 -2.47 -0.15 0.00 0.02 0.00 0.00 41.25 38.71 1qth s ASN 53 CO 0.07 -1.32 1.30 0.71 0.02 0.00 0.00 177.10 177.89 1qth h THR 54 N 6.19 1.28 -3.61 1.60 1.35 -1.87 -3.48 112.91 114.37 1qth h THR 54 Ca 0.08 -2.02 -0.21 0.00 -0.55 0.00 0.00 66.41 63.71 1qth h THR 54 Cb 1.03 2.04 0.08 0.00 -1.73 0.00 0.00 68.15 69.56 1qth h THR 54 CO 1.24 0.64 -0.37 -3.20 -0.25 0.00 0.00 175.52 173.58 1qth n ASN 55 N -3.92 -4.10 -2.26 5.36 5.15 -1.26 -3.67 115.26 110.56 1qth n ASN 55 Ca -0.08 -0.29 -0.18 0.00 -0.60 0.00 0.00 54.58 53.43 1qth n ASN 55 Cb 0.76 -2.92 0.01 0.00 -0.53 0.00 0.00 39.78 37.10 1qth n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qth n GLY 56 N -1.28 -0.36 3.34 8.20 0.00 -1.26 -4.96 105.19 108.86 1qth n GLY 56 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1qth n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qth s VAL 57 N -2.97 0.02 0.26 1.61 0.11 -1.24 0.65 120.40 118.84 1qth s VAL 57 Ca 0.10 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1qth s VAL 57 Cb -0.04 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 1qth s VAL 57 CO 0.12 -0.09 0.24 0.27 -3.33 0.00 0.00 175.10 172.32 1qth s ILE 58 N -0.49 0.00 0.06 7.04 -4.36 -0.15 -4.68 121.20 118.62 1qth s ILE 58 Ca -0.06 -1.92 -0.12 0.00 -0.26 0.00 0.00 60.65 58.29 1qth s ILE 58 Cb -0.03 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.13 1qth s ILE 58 CO 0.03 0.00 0.42 -0.89 0.24 0.00 0.00 174.94 174.74 1qth s THR 59 N -3.79 5.04 0.39 8.37 2.01 -1.26 -4.89 115.64 121.51 1qth s THR 59 Ca 0.38 0.63 0.17 0.00 0.31 0.00 0.00 61.69 63.18 1qth s THR 59 Cb 0.04 -3.68 0.38 0.00 0.01 0.00 0.00 72.50 69.25 1qth s THR 59 CO 0.18 0.39 1.80 0.11 -0.69 0.00 0.00 174.62 176.41 1qth h LYS 60 N 4.05 0.43 -0.14 4.92 1.57 -1.99 0.57 116.57 125.99 1qth h LYS 60 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1qth h LYS 60 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1qth h LYS 60 CO 0.64 0.29 0.00 -0.25 -0.57 0.00 0.00 179.45 179.56 1qth n ASP 61 N -4.60 1.74 0.12 0.86 8.00 -1.26 -0.89 116.55 120.53 1qth n ASP 61 Ca 0.23 -1.68 0.11 0.00 0.71 0.00 0.00 54.79 54.16 1qth n ASP 61 Cb 0.78 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.82 1qth n ASP 61 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1qth h GLU 62 N 2.42 0.00 0.10 -1.24 4.81 -0.13 -2.46 114.58 118.08 1qth h GLU 62 Ca 0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1qth h GLU 62 Cb 0.53 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1qth h GLU 62 CO 0.00 0.03 -1.73 0.00 -0.73 0.00 0.00 179.01 176.58 1qth h ALA 63 N 1.95 0.43 -0.92 2.92 0.00 -0.55 -3.40 119.26 119.69 1qth h ALA 63 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1qth h ALA 63 Cb 1.05 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1qth h ALA 63 CO 0.00 1.29 0.00 -1.91 0.00 0.00 0.00 179.25 178.64 1qth n GLU 64 N -3.38 0.00 -2.21 0.00 0.00 -0.07 -2.34 120.64 112.65 1qth n GLU 64 Ca -0.22 0.44 -0.41 0.00 0.00 0.00 0.00 57.16 56.98 1qth n GLU 64 Cb 1.05 -1.35 -0.03 0.00 0.00 0.00 0.00 31.44 31.11 1qth n GLU 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1qth s LYS 65 N -2.39 4.41 0.00 5.31 0.00 -0.93 0.59 119.74 126.73 1qth s LYS 65 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 55.97 58.05 1qth s LYS 65 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 37.83 34.68 1qth s LYS 65 CO 0.00 -0.17 0.00 -0.11 0.00 0.00 0.00 175.35 175.07 1qth n LEU 66 N 1.76 0.00 -0.12 2.77 -0.00 -1.25 -4.41 117.00 115.74 1qth n LEU 66 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.94 1qth n LEU 66 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.83 1qth n LEU 66 CO 0.58 0.00 0.88 0.15 -0.00 0.00 0.00 177.39 179.00 1qth h PHE 67 N 0.00 0.56 -0.95 1.96 3.57 -0.51 1.12 116.94 122.68 1qth h PHE 67 Ca 0.00 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.53 1qth h PHE 67 Cb 0.00 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.51 1qth h PHE 67 CO 0.00 0.54 0.61 -0.91 -2.23 0.00 0.00 178.31 176.32 1qth h ASN 68 N 0.42 0.92 -0.07 0.41 4.21 -0.09 0.11 115.58 121.49 1qth h ASN 68 Ca 0.11 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.68 1qth h ASN 68 Cb 0.24 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 37.22 1qth h ASN 68 CO -0.00 0.56 -0.17 1.56 -1.29 0.00 0.00 177.43 178.09 1qth h GLN 69 N 1.03 -0.23 -0.13 0.81 7.50 0.87 -2.65 115.11 122.30 1qth h GLN 69 Ca 0.43 0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.57 1qth h GLN 69 Cb 0.29 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.87 1qth h GLN 69 CO -0.18 -0.16 -0.01 -0.44 -1.50 0.00 0.00 178.83 176.54 1qth h ASP 70 N -0.24 0.23 -0.76 1.46 3.32 -0.11 -2.88 116.42 117.45 1qth h ASP 70 Ca 0.08 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1qth h ASP 70 Cb 0.35 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1qth h ASP 70 CO -0.22 0.51 0.50 0.58 -1.72 0.00 0.00 179.24 178.89 1qth h VAL 71 N -0.05 1.20 0.00 -1.35 2.07 -0.81 0.16 116.25 117.47 1qth h VAL 71 Ca 0.04 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1qth h VAL 71 Cb 0.40 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1qth h VAL 71 CO 0.01 0.19 0.00 0.44 0.02 0.00 0.00 177.57 178.23 1qth h ASP 72 N 1.03 0.00 -0.04 0.57 5.19 -1.42 -0.34 116.42 121.41 1qth h ASP 72 Ca 0.28 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.65 1qth h ASP 72 Cb -0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1qth h ASP 72 CO -0.06 0.00 -0.12 0.00 -3.12 0.00 0.00 179.24 175.94 1qth h ALA 73 N 2.12 0.06 0.22 3.45 0.00 -0.77 -0.83 119.26 123.51 1qth h ALA 73 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1qth h ALA 73 Cb 0.62 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1qth h ALA 73 CO 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 179.25 178.90 1qth h ALA 74 N 0.41 -0.62 0.07 0.00 0.00 -0.08 0.16 119.26 119.19 1qth h ALA 74 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qth h ALA 74 Cb 0.76 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qth h ALA 74 CO 0.03 -0.89 -0.03 0.28 0.00 0.00 0.00 179.25 178.63 1qth h VAL 75 N -0.61 0.99 -0.62 0.00 2.07 -1.17 -1.65 116.25 115.26 1qth h VAL 75 Ca 0.01 -0.19 0.16 0.00 0.82 0.00 0.00 66.70 67.50 1qth h VAL 75 Cb 0.59 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1qth h VAL 75 CO -0.13 0.05 0.44 0.03 0.02 0.00 0.00 177.57 177.98 1qth h ARG 76 N -0.18 0.11 0.40 1.57 3.08 -1.03 -1.36 114.38 116.97 1qth h ARG 76 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1qth h ARG 76 Cb 0.15 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1qth h ARG 76 CO 0.02 0.07 -0.48 0.78 -1.07 0.00 0.00 179.97 179.29 1qth h GLY 77 N 0.11 -1.23 0.59 0.04 0.00 0.29 -1.09 103.07 101.79 1qth h GLY 77 Ca 0.30 0.59 0.06 0.00 0.00 0.00 0.00 47.33 48.28 1qth h GLY 77 CO -0.03 -0.35 0.25 -2.22 0.00 0.00 0.00 176.54 174.19 1qth h ILE 78 N -0.90 0.88 0.00 2.60 2.04 -1.07 -1.98 117.51 119.08 1qth h ILE 78 Ca -0.05 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1qth h ILE 78 Cb 0.80 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1qth h ILE 78 CO -0.10 0.09 -0.10 -0.07 0.00 0.00 0.00 178.15 177.97 1qth h LEU 79 N 0.47 0.00 -0.53 1.44 3.38 -0.97 -0.88 115.31 118.22 1qth h LEU 79 Ca 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1qth h LEU 79 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qth h LEU 79 CO -0.22 0.10 -0.15 -0.09 0.09 0.00 0.00 178.44 178.17 1qth h ARG 80 N 0.00 0.00 -5.66 1.13 2.43 -0.45 -3.45 114.38 108.38 1qth h ARG 80 Ca -0.00 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.54 1qth h ARG 80 Cb 0.27 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.69 1qth h ARG 80 CO 0.01 0.15 0.28 1.21 -1.51 0.00 0.00 179.97 180.11 1qth s ASN 81 N -6.15 6.44 0.56 -3.80 3.84 -0.35 -4.94 114.94 110.54 1qth s ASN 81 Ca 0.04 0.03 0.31 0.00 0.21 0.00 0.00 52.86 53.45 1qth s ASN 81 Cb 0.07 -2.36 1.46 0.00 -0.55 0.00 0.00 41.25 39.87 1qth s ASN 81 CO 0.65 -0.77 1.86 0.00 -2.79 0.00 0.00 177.10 176.05 1qth h ALA 82 N 8.72 2.60 0.07 1.71 0.00 -1.86 0.33 119.26 130.82 1qth h ALA 82 Ca -0.25 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 1qth h ALA 82 Cb 1.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1qth h ALA 82 CO 0.91 -1.00 -1.64 0.87 0.00 0.00 0.00 179.25 178.39 1qth h LYS 83 N 0.00 0.15 0.03 0.00 1.57 -1.92 -3.39 116.57 113.01 1qth h LYS 83 Ca 0.35 -0.26 -0.31 0.00 -1.87 0.00 0.00 60.65 58.56 1qth h LYS 83 Cb 1.58 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.95 1qth h LYS 83 CO -0.00 0.92 -1.80 1.28 -0.57 0.00 0.00 179.45 179.28 1qth n LEU 84 N -3.32 1.28 -0.08 2.94 4.77 -0.71 -4.25 117.00 117.63 1qth n LEU 84 Ca -0.18 0.36 -0.06 0.00 -0.03 0.00 0.00 56.01 56.09 1qth n LEU 84 Cb 1.04 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.95 1qth n LEU 84 CO 0.47 0.50 0.50 0.50 -1.33 0.00 0.00 177.39 178.03 1qth h LYS 85 N 0.02 -0.16 -0.87 3.23 3.64 -0.27 -0.99 116.57 121.17 1qth h LYS 85 Ca -0.33 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.29 1qth h LYS 85 Cb 2.02 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 33.74 1qth h LYS 85 CO 0.08 -0.11 0.24 -1.35 -2.27 0.00 0.00 179.45 176.05 1qth h PRO 86 N -0.17 0.22 0.02 1.90 0.10 -1.79 -1.59 132.00 130.70 1qth h PRO 86 Ca 0.04 -0.01 -0.00 0.00 0.10 0.00 0.00 66.00 66.13 1qth h PRO 86 Cb 0.27 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 31.33 1qth h PRO 86 CO -0.31 0.15 -0.01 0.28 0.10 0.00 0.00 178.00 178.21 1qth h VAL 87 N 0.23 1.06 0.27 3.15 2.07 -1.63 -2.18 116.25 119.23 1qth h VAL 87 Ca 0.54 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1qth h VAL 87 Cb 1.08 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1qth h VAL 87 CO -0.63 0.07 -0.49 0.22 0.02 0.00 0.00 177.57 176.76 1qth h TYR 88 N -0.14 -1.37 -0.87 1.57 3.20 -0.27 -1.72 116.97 117.36 1qth h TYR 88 Ca -0.00 0.03 0.22 0.00 3.14 0.00 0.00 58.73 62.12 1qth h TYR 88 Cb 0.13 0.56 -0.13 0.00 1.54 0.00 0.00 36.73 38.84 1qth h TYR 88 CO -0.04 -0.60 0.29 -0.44 -1.64 0.00 0.00 178.16 175.73 1qth h ASP 89 N -0.82 0.12 0.48 -2.11 3.32 -1.42 0.54 116.42 116.54 1qth h ASP 89 Ca -0.02 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1qth h ASP 89 Cb 0.78 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1qth h ASP 89 CO -0.19 -0.09 -0.12 0.77 -1.72 0.00 0.00 179.24 177.88 1qth h SER 90 N 0.28 0.00 -3.94 6.45 4.64 -0.65 -3.45 113.55 116.88 1qth h SER 90 Ca 0.54 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.40 1qth h SER 90 Cb 1.06 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.26 1qth h SER 90 CO -0.60 0.12 0.31 -0.76 -0.87 0.00 0.00 176.83 175.04 1qth s LEU 91 N -7.07 2.72 0.45 5.97 1.43 0.19 -5.09 118.68 117.28 1qth s LEU 91 Ca -0.02 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1qth s LEU 91 Cb 0.12 -2.90 -0.00 0.00 0.03 0.00 0.00 46.19 43.44 1qth s LEU 91 CO 0.58 -1.95 0.67 1.51 0.23 0.00 0.00 176.35 177.39 1qth s ASP 92 N -4.63 5.83 0.20 2.29 1.47 -1.26 -4.84 116.67 115.73 1qth s ASP 92 Ca 0.64 0.28 -0.18 0.00 1.18 0.00 0.00 52.55 54.47 1qth s ASP 92 Cb -0.09 -1.53 0.18 0.00 -0.34 0.00 0.00 42.92 41.15 1qth s ASP 92 CO 0.48 -0.70 1.59 0.00 0.68 0.00 0.00 175.17 177.22 1qth h ALA 93 N 0.40 0.14 -0.02 2.11 0.00 -1.98 0.16 119.26 120.07 1qth h ALA 93 Ca -0.46 0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1qth h ALA 93 Cb 1.25 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 1qth h ALA 93 CO 0.57 -0.58 -0.18 0.28 0.00 0.00 0.00 179.25 179.34 1qth h VAL 94 N -0.10 0.57 -0.18 0.00 2.07 -1.95 -0.02 116.25 116.63 1qth h VAL 94 Ca 0.27 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.65 1qth h VAL 94 Cb 0.54 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1qth h VAL 94 CO -0.71 0.00 -0.51 0.03 0.02 0.00 0.00 177.57 176.40 1qth h ARG 95 N -0.28 0.49 -0.53 1.57 3.08 -1.67 -2.28 114.38 114.77 1qth h ARG 95 Ca 0.06 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1qth h ARG 95 Cb 0.36 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1qth h ARG 95 CO -0.18 0.89 0.27 0.00 -1.07 0.00 0.00 179.97 179.87 1qth h ARG 96 N 0.39 0.75 -0.97 0.04 3.08 -0.61 -1.53 114.38 115.53 1qth h ARG 96 Ca 0.01 -0.10 0.22 0.00 0.07 0.00 0.00 59.98 60.18 1qth h ARG 96 Cb 1.03 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 1qth h ARG 96 CO 0.09 0.61 0.62 0.00 -1.07 0.00 0.00 179.97 180.23 1qth h ALA 97 N 1.10 2.06 -0.31 0.04 0.00 -0.40 -1.68 119.26 120.08 1qth h ALA 97 Ca 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1qth h ALA 97 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qth h ALA 97 CO -0.03 -0.41 0.09 0.52 0.00 0.00 0.00 179.25 179.43 1qth h MET 98 N 0.51 0.49 -0.04 0.00 2.86 -1.17 -1.94 114.93 115.64 1qth h MET 98 Ca 0.53 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.95 1qth h MET 98 Cb 1.18 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1qth h MET 98 CO -0.26 0.54 -0.51 1.25 1.06 0.00 0.00 176.91 178.99 1qth h LEU 99 N 0.34 0.10 -0.80 1.22 5.85 -0.80 -1.97 115.31 119.26 1qth h LEU 99 Ca 0.10 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1qth h LEU 99 Cb 0.26 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1qth h LEU 99 CO -0.00 0.59 -0.35 0.40 -0.34 0.00 0.00 178.44 178.74 1qth h ILE 100 N 0.07 1.29 -0.45 4.05 2.04 -1.19 -1.50 117.51 121.81 1qth h ILE 100 Ca -0.00 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.33 1qth h ILE 100 Cb 0.92 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1qth h ILE 100 CO 0.07 0.46 0.01 -1.13 0.00 0.00 0.00 178.15 177.56 1qth h ASN 101 N 0.42 0.78 0.14 1.72 -0.73 -0.72 0.14 115.58 117.32 1qth h ASN 101 Ca 0.05 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 57.91 1qth h ASN 101 Cb 0.81 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1qth h ASN 101 CO 0.07 0.89 -0.07 0.24 -0.37 0.00 0.00 177.43 178.19 1qth h MET 102 N 0.64 -0.18 -0.75 6.67 2.86 -1.21 0.78 114.93 123.75 1qth h MET 102 Ca 0.13 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1qth h MET 102 Cb 0.48 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1qth h MET 102 CO 0.02 -0.05 0.45 0.28 1.06 0.00 0.00 176.91 178.67 1qth h VAL 103 N -0.26 1.03 -0.45 -2.22 2.07 -1.26 0.76 116.25 115.91 1qth h VAL 103 Ca -0.02 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1qth h VAL 103 Cb 0.21 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1qth h VAL 103 CO 0.03 0.15 0.21 0.15 0.02 0.00 0.00 177.57 178.14 1qth h PHE 104 N 0.84 0.39 -0.13 1.57 3.57 -0.36 0.58 116.94 123.40 1qth h PHE 104 Ca 0.32 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.68 1qth h PHE 104 Cb 0.13 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 38.77 1qth h PHE 104 CO -0.05 0.19 -0.56 0.37 -2.23 0.00 0.00 178.31 176.03 1qth h GLN 105 N 0.42 0.60 0.00 1.11 4.15 -0.53 -3.40 115.11 117.46 1qth h GLN 105 Ca 0.20 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1qth h GLN 105 Cb 0.13 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1qth h GLN 105 CO -0.16 1.10 -0.51 0.00 -1.93 0.00 0.00 178.83 177.34 1qth n MET 106 N -4.16 3.93 0.00 1.69 0.00 0.26 -5.09 117.12 113.75 1qth n MET 106 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1qth n MET 106 Cb 0.63 -0.86 0.00 0.00 0.00 0.00 0.00 33.22 32.98 1qth n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qth n GLY 107 N 1.37 2.32 0.06 3.17 0.00 0.20 -3.96 105.19 108.35 1qth n GLY 107 Ca 0.01 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 1qth n GLY 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1qth h GLU 108 N 0.00 -0.00 -0.26 1.61 4.11 -1.94 -2.32 114.58 115.78 1qth h GLU 108 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1qth h GLU 108 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1qth h GLU 108 CO 0.00 -0.00 0.13 0.00 0.07 0.00 0.00 179.01 179.20 1qth h THR 109 N -0.00 0.99 -0.63 -1.06 1.03 -1.97 0.20 112.91 111.48 1qth h THR 109 Ca 0.03 -0.09 0.11 0.00 -0.01 0.00 0.00 66.41 66.44 1qth h THR 109 Cb 0.05 0.70 -0.08 0.00 -1.07 0.00 0.00 68.15 67.75 1qth h THR 109 CO -0.06 0.05 0.20 1.23 -0.01 0.00 0.00 175.52 176.93 1qth h GLY 110 N 0.27 0.86 0.43 2.99 0.00 -1.62 -2.79 103.07 103.21 1qth h GLY 110 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1qth h GLY 110 CO -0.07 -0.07 -0.21 -2.08 0.00 0.00 0.00 176.54 174.11 1qth h VAL 111 N 0.35 0.00 -0.21 4.60 2.07 -0.87 -3.00 116.25 119.19 1qth h VAL 111 Ca 0.33 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1qth h VAL 111 Cb 0.45 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1qth h VAL 111 CO -0.36 0.00 0.97 0.00 0.02 0.00 0.00 177.57 178.20 1qth n ALA 112 N -2.41 0.20 0.30 1.67 0.00 0.01 -0.87 120.51 119.41 1qth n ALA 112 Ca -0.07 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1qth n ALA 112 Cb 0.23 -0.12 0.83 0.00 0.00 0.00 0.00 19.45 20.39 1qth n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qth h GLY 113 N 0.00 0.00 -6.72 0.00 0.00 -1.35 -3.35 103.07 91.66 1qth h GLY 113 Ca 0.10 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.67 1qth h GLY 113 CO -0.00 0.00 1.71 0.69 0.00 0.00 0.00 176.54 178.94 1qth n PHE 114 N -2.93 3.19 -0.04 5.60 3.72 -0.05 -4.80 117.46 122.16 1qth n PHE 114 Ca -0.01 -2.87 -0.14 0.00 -0.05 0.00 0.00 57.45 54.38 1qth n PHE 114 Cb 0.20 -1.88 -0.10 0.00 -0.94 0.00 0.00 39.48 36.77 1qth n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1qth h THR 115 N 3.82 0.00 -0.10 4.37 2.02 -1.86 -2.97 112.91 118.19 1qth h THR 115 Ca 0.35 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.53 1qth h THR 115 Cb 0.67 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1qth h THR 115 CO 1.52 0.00 0.06 0.78 0.37 0.00 0.00 175.52 178.25 1qth h ASN 116 N -0.52 0.11 0.47 4.18 2.35 -1.95 -3.16 115.58 117.07 1qth h ASN 116 Ca 0.04 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1qth h ASN 116 Cb 0.63 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1qth h ASN 116 CO -0.46 0.11 -0.13 0.28 -1.65 0.00 0.00 177.43 175.59 1qth h SER 117 N 0.11 0.00 0.62 5.81 0.02 -1.90 -2.36 113.55 115.85 1qth h SER 117 Ca 0.03 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1qth h SER 117 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1qth h SER 117 CO -0.01 0.13 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.37 1qth h LEU 118 N 0.00 0.00 0.06 5.07 3.38 -1.50 -1.63 115.31 120.69 1qth h LEU 118 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1qth h LEU 118 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1qth h LEU 118 CO 0.02 0.37 -0.47 -0.09 0.09 0.00 0.00 178.44 178.36 1qth h ARG 119 N 0.00 0.22 -0.57 1.13 1.12 -1.40 -2.97 114.38 111.90 1qth h ARG 119 Ca -0.00 -0.31 -0.09 0.00 -1.11 0.00 0.00 59.98 58.47 1qth h ARG 119 Cb 0.79 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.83 1qth h ARG 119 CO 0.05 1.10 0.02 0.00 -3.11 0.00 0.00 179.97 178.03 1qth h MET 120 N -0.51 1.00 -0.73 0.20 -0.00 -1.46 0.67 114.93 114.10 1qth h MET 120 Ca -0.08 -0.31 0.15 0.00 -0.00 0.00 0.00 59.70 59.47 1qth h MET 120 Cb 1.31 -0.10 -0.10 0.00 -0.00 0.00 0.00 31.60 32.71 1qth h MET 120 CO 0.09 0.98 0.22 -0.07 -0.00 0.00 0.00 176.91 178.13 1qth h LEU 121 N 0.89 0.11 -1.26 -0.10 3.38 -1.40 0.43 115.31 117.36 1qth h LEU 121 Ca 0.17 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 1qth h LEU 121 Cb 0.52 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1qth h LEU 121 CO 0.02 0.01 -0.32 -0.61 0.09 0.00 0.00 178.44 177.64 1qth h GLN 122 N 0.33 0.00 -0.44 1.13 5.75 -1.18 -2.50 115.11 118.20 1qth h GLN 122 Ca 0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1qth h GLN 122 Cb 0.67 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1qth h GLN 122 CO -0.47 0.32 0.00 1.04 -2.65 0.00 0.00 178.83 177.07 1qth n GLN 123 N -3.72 2.38 -1.27 1.69 6.02 0.11 -4.89 117.38 117.69 1qth n GLN 123 Ca -0.01 -2.10 -0.09 0.00 -0.01 0.00 0.00 57.00 54.78 1qth n GLN 123 Cb 0.42 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.15 1qth n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qth n LYS 124 N 1.27 -0.88 -0.32 -1.09 5.02 0.91 -4.86 118.16 118.19 1qth n LYS 124 Ca 0.20 0.79 -0.05 0.00 -2.02 0.00 0.00 58.31 57.22 1qth n LYS 124 Cb 0.54 -4.75 0.03 0.00 -0.02 0.00 0.00 35.03 30.82 1qth n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qth n ARG 125 N -2.27 1.24 -0.09 1.97 3.00 0.11 -4.82 116.66 115.80 1qth n ARG 125 Ca -0.09 -0.55 -0.00 0.00 -0.01 0.00 0.00 57.85 57.19 1qth n ARG 125 Cb 0.37 -1.22 0.01 0.00 0.00 0.00 0.00 32.46 31.62 1qth n ARG 125 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1qth n TRP 126 N 0.41 0.00 0.05 -1.55 5.03 -1.26 -1.60 117.44 118.53 1qth n TRP 126 Ca 0.11 0.27 -0.11 0.00 3.03 0.00 0.00 57.50 60.80 1qth n TRP 126 Cb 0.67 -0.58 -0.05 0.00 -1.03 0.00 0.00 31.31 30.31 1qth n TRP 126 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 1qth h ASP 127 N 0.00 -0.28 -0.37 -0.99 5.19 -1.92 -0.47 116.42 117.58 1qth h ASP 127 Ca 0.08 0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.59 1qth h ASP 127 Cb 0.13 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.72 1qth h ASP 127 CO -0.22 -0.14 0.08 -0.33 -3.12 0.00 0.00 179.24 175.50 1qth h GLU 128 N -0.17 0.20 -0.64 3.56 5.08 -1.72 0.29 114.58 121.18 1qth h GLU 128 Ca 0.04 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1qth h GLU 128 Cb 0.22 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1qth h GLU 128 CO -0.10 0.13 0.40 0.00 -1.00 0.00 0.00 179.01 178.44 1qth h ALA 129 N 1.28 0.83 0.23 3.43 0.00 -1.34 0.11 119.26 123.80 1qth h ALA 129 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1qth h ALA 129 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qth h ALA 129 CO -0.23 0.17 -0.18 0.00 0.00 0.00 0.00 179.25 179.01 1qth h ALA 130 N 1.27 -0.96 -0.81 0.00 0.00 -0.30 0.48 119.26 118.93 1qth h ALA 130 Ca 0.25 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1qth h ALA 130 Cb -0.01 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 17.99 1qth h ALA 130 CO -0.09 -0.96 -0.24 0.28 0.00 0.00 0.00 179.25 178.24 1qth n VAL 131 N -3.38 -0.37 -0.13 0.00 0.31 0.93 0.78 118.33 116.47 1qth n VAL 131 Ca -0.05 1.87 -0.10 0.00 -0.01 0.00 0.00 64.34 66.05 1qth n VAL 131 Cb 0.17 -2.54 -0.02 0.00 -0.91 0.00 0.00 33.84 30.54 1qth n VAL 131 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1qth h ASN 132 N 0.00 0.61 -0.51 4.52 -0.26 -0.80 -3.19 115.58 115.95 1qth h ASN 132 Ca 0.35 -0.27 -0.06 0.00 -0.56 0.00 0.00 56.30 55.77 1qth h ASN 132 Cb 0.56 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1qth h ASN 132 CO -0.82 0.72 0.09 -0.07 -1.06 0.00 0.00 177.43 176.29 1qth h LEU 133 N 0.47 0.84 -2.11 1.61 3.38 0.54 -2.89 115.31 117.14 1qth h LEU 133 Ca 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1qth h LEU 133 Cb 0.37 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1qth h LEU 133 CO 0.01 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.39 1qth h ALA 134 N 1.26 1.01 0.00 1.53 0.00 -0.71 -0.54 119.26 121.80 1qth h ALA 134 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qth h ALA 134 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qth h ALA 134 CO 0.01 -0.01 -0.63 1.63 0.00 0.00 0.00 179.25 180.25 1qth n LYS 135 N -2.61 0.01 -1.35 0.00 5.02 -1.09 -4.79 118.16 113.36 1qth n LYS 135 Ca -0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 1qth n LYS 135 Cb 0.06 -1.51 0.08 0.00 -0.02 0.00 0.00 35.03 33.64 1qth n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qth s SER 136 N -3.05 4.72 0.43 4.39 1.04 -0.21 -4.88 113.70 116.14 1qth s SER 136 Ca 0.10 1.75 0.13 0.00 0.48 0.00 0.00 55.95 58.41 1qth s SER 136 Cb 0.17 -2.50 0.92 0.00 0.10 0.00 0.00 66.02 64.72 1qth s SER 136 CO 0.74 -1.89 1.95 -0.09 0.98 0.00 0.00 173.24 174.94 1qth h ARG 137 N -1.03 0.03 -0.82 4.02 1.12 -1.94 -1.05 114.38 114.71 1qth h ARG 137 Ca -0.44 -0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.47 1qth h ARG 137 Cb 1.23 -0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.13 1qth h ARG 137 CO 0.53 0.24 0.52 2.35 -3.11 0.00 0.00 179.97 180.50 1qth h TRP 138 N 0.03 0.97 -0.10 2.20 7.01 -1.91 0.25 115.95 124.39 1qth h TRP 138 Ca 0.00 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.93 1qth h TRP 138 Cb 0.39 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1qth h TRP 138 CO 0.00 0.53 -0.32 -0.92 -2.79 0.00 0.00 178.44 174.95 1qth h TYR 139 N 0.99 0.52 -0.98 2.65 3.20 -1.46 -1.27 116.97 120.62 1qth h TYR 139 Ca 0.34 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1qth h TYR 139 Cb 0.06 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1qth h TYR 139 CO -0.03 0.93 0.65 -0.97 -1.64 0.00 0.00 178.16 177.10 1qth h ASN 140 N -0.04 1.11 -0.08 -2.11 -0.00 -1.00 -2.74 115.58 110.71 1qth h ASN 140 Ca -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1qth h ASN 140 Cb 0.94 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.99 1qth h ASN 140 CO 0.07 0.79 0.05 1.56 -0.00 0.00 0.00 177.43 179.89 1qth h GLN 141 N 1.30 0.11 -2.07 6.67 7.50 -0.41 -3.37 115.11 124.84 1qth h GLN 141 Ca 0.37 -0.01 -0.56 0.00 0.50 0.00 0.00 58.65 58.95 1qth h GLN 141 Cb -0.10 -0.02 -0.40 0.00 0.05 0.00 0.00 27.48 27.01 1qth h GLN 141 CO -0.10 0.15 -0.95 0.25 -1.50 0.00 0.00 178.83 176.68 1qth n THR 142 N -4.99 0.45 0.08 -0.54 -2.24 -0.49 -4.98 114.28 101.58 1qth n THR 142 Ca -0.06 -4.52 0.10 0.00 -2.27 0.00 0.00 64.05 57.31 1qth n THR 142 Cb 0.06 -1.76 0.57 0.00 -2.10 0.00 0.00 70.33 67.11 1qth n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qth h PRO 143 N 3.86 0.20 -0.13 -0.78 0.13 -1.67 1.01 132.00 134.63 1qth h PRO 143 Ca 0.11 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1qth h PRO 143 Cb 0.81 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1qth h PRO 143 CO 0.59 0.14 -0.04 -0.91 -0.23 0.00 0.00 178.00 177.55 1qth h ASN 144 N 0.21 0.26 0.02 1.44 2.35 -1.93 0.45 115.58 118.38 1qth h ASN 144 Ca 0.14 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1qth h ASN 144 Cb 0.28 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1qth h ASN 144 CO -0.02 0.58 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.23 1qth h ARG 145 N -0.06 -0.03 -0.59 0.81 2.43 -1.81 -3.16 114.38 111.97 1qth h ARG 145 Ca 0.03 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 1qth h ARG 145 Cb 0.47 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.94 1qth h ARG 145 CO 0.01 0.58 0.09 0.00 -1.51 0.00 0.00 179.97 179.14 1qth h ALA 146 N 0.27 0.66 -0.63 2.80 0.00 0.11 -0.90 119.26 121.57 1qth h ALA 146 Ca -0.00 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1qth h ALA 146 Cb 0.62 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1qth h ALA 146 CO 0.01 -0.34 0.07 0.87 0.00 0.00 0.00 179.25 179.85 1qth h LYS 147 N 0.21 0.17 -0.35 0.00 1.57 -0.14 -1.35 116.57 116.68 1qth h LYS 147 Ca 0.31 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 1qth h LYS 147 Cb 0.48 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1qth h LYS 147 CO -0.43 0.12 0.02 0.00 -0.57 0.00 0.00 179.45 178.58 1qth h ARG 148 N 0.18 0.12 -0.08 3.15 3.08 -1.14 0.16 114.38 119.85 1qth h ARG 148 Ca 0.34 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1qth h ARG 148 Cb 0.54 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1qth h ARG 148 CO -0.49 0.08 0.05 0.28 -1.07 0.00 0.00 179.97 178.81 1qth h VAL 149 N 0.12 1.05 -0.27 2.04 2.07 -1.03 -1.69 116.25 118.54 1qth h VAL 149 Ca 0.17 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1qth h VAL 149 Cb 0.23 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1qth h VAL 149 CO -0.27 0.05 0.17 0.40 0.02 0.00 0.00 177.57 177.94 1qth h ILE 150 N 0.06 1.05 -0.50 4.57 2.04 -0.99 -0.10 117.51 123.64 1qth h ILE 150 Ca 0.03 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1qth h ILE 150 Cb 0.04 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1qth h ILE 150 CO -0.01 0.06 0.29 0.74 0.00 0.00 0.00 178.15 179.24 1qth h THR 151 N 0.35 1.15 -0.31 -0.27 2.02 -0.83 -0.92 112.91 114.10 1qth h THR 151 Ca 0.10 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 1qth h THR 151 Cb -0.03 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1qth h THR 151 CO -0.03 0.16 -0.33 0.74 0.37 0.00 0.00 175.52 176.42 1qth h THR 152 N 0.69 1.28 -0.23 3.16 2.02 -0.47 -0.09 112.91 119.27 1qth h THR 152 Ca 0.18 -1.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 1qth h THR 152 Cb -0.01 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1qth h THR 152 CO -0.03 0.48 -0.11 -0.26 0.37 0.00 0.00 175.52 175.96 1qth h PHE 153 N 0.58 0.40 0.11 3.16 0.05 -0.35 0.96 116.94 121.84 1qth h PHE 153 Ca 0.06 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 1qth h PHE 153 Cb 0.85 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 38.69 1qth h PHE 153 CO 0.04 0.49 -0.05 -0.09 -0.18 0.00 0.00 178.31 178.52 1qth h ARG 154 N 0.36 -0.15 -0.52 1.51 9.65 -0.35 -3.39 114.38 121.49 1qth h ARG 154 Ca 0.07 0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.88 1qth h ARG 154 Cb 0.42 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1qth h ARG 154 CO 0.02 -0.10 0.00 1.79 2.80 0.00 0.00 179.97 184.49 1qth h THR 155 N -0.34 1.25 -2.07 0.20 1.35 -1.03 -3.47 112.91 108.79 1qth h THR 155 Ca -0.02 -1.05 -0.30 0.00 -0.55 0.00 0.00 66.41 64.50 1qth h THR 155 Cb 0.12 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1qth h THR 155 CO 0.03 0.38 -0.38 0.61 -0.25 0.00 0.00 175.52 175.90 1qth n GLY 156 N -0.57 -0.19 3.20 5.82 0.00 0.33 -4.98 105.19 108.79 1qth n GLY 156 Ca 0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1qth n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qth s THR 157 N -2.73 1.00 -1.05 2.61 -4.23 -1.26 -4.86 115.64 105.11 1qth s THR 157 Ca 0.00 -1.75 0.24 0.00 -1.18 0.00 0.00 61.69 59.00 1qth s THR 157 Cb 0.00 -1.49 0.23 0.00 1.34 0.00 0.00 72.50 72.58 1qth s THR 157 CO 0.00 -0.60 1.77 0.79 -0.54 0.00 0.00 174.62 176.03 1qth n TRP 158 N 0.37 0.00 0.05 3.99 7.02 -1.26 -4.52 117.44 123.09 1qth n TRP 158 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 1qth n TRP 158 Cb 0.58 -0.47 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 1qth n TRP 158 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1qth n ASP 159 N -1.47 0.00 -0.02 -0.99 8.00 -1.26 -0.42 116.55 120.39 1qth n ASP 159 Ca 0.06 0.07 -0.04 0.00 0.71 0.00 0.00 54.79 55.60 1qth n ASP 159 Cb 0.27 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.24 1qth n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qth n ALA 160 N -0.55 1.79 -1.09 2.24 0.00 -1.26 -4.42 120.51 117.22 1qth n ALA 160 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 53.44 52.45 1qth n ALA 160 Cb 0.24 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1qth n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qth n TYR 161 N -2.83 1.17 0.92 0.00 4.02 0.44 -5.06 117.16 115.81 1qth n TYR 161 Ca -0.17 -1.79 0.11 0.00 -0.01 0.00 0.00 57.90 56.04 1qth n TYR 161 Cb 0.95 -1.16 0.09 0.00 -0.02 0.00 0.00 39.34 39.20 1qth n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48