#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsi s LYS 3 N 0.00 1.14 0.00 4.33 -0.14 -1.26 -5.13 119.74 118.68 1tsi s LYS 3 Ca 0.00 -1.51 0.00 0.00 -1.36 0.00 0.00 55.97 53.10 1tsi s LYS 3 Cb 0.00 -0.66 0.00 0.00 -1.68 0.00 0.00 37.83 35.49 1tsi s LYS 3 CO 0.00 0.05 0.00 -2.30 -0.76 0.00 0.00 175.35 172.34 1tsi n PRO 4 N -0.26 1.27 -3.17 -1.68 -0.02 -1.26 -4.94 135.00 124.94 1tsi n PRO 4 Ca -0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 1tsi n PRO 4 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.02 1tsi n PRO 4 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1tsi s GLN 5 N 0.00 3.67 0.69 -0.52 0.74 -1.26 -5.00 119.66 117.98 1tsi s GLN 5 Ca 0.00 -0.02 -0.16 0.00 0.05 0.00 0.00 55.36 55.22 1tsi s GLN 5 Cb 0.00 -3.80 0.00 0.00 1.10 0.00 0.00 33.01 30.31 1tsi s GLN 5 CO 0.00 -0.69 1.06 -0.35 -0.55 0.00 0.00 175.29 174.76 1tsi n PRO 6 N 5.91 0.67 -4.28 1.67 -0.04 -1.26 -4.80 135.00 132.87 1tsi n PRO 6 Ca -0.03 0.28 -0.24 0.00 -0.04 0.00 0.00 63.50 63.47 1tsi n PRO 6 Cb 0.49 -2.30 -0.17 0.00 -0.04 0.00 0.00 33.50 31.48 1tsi n PRO 6 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1tsi s ILE 7 N -1.70 0.97 -0.33 0.52 1.01 -0.87 -1.20 121.20 119.60 1tsi s ILE 7 Ca 0.76 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1tsi s ILE 7 Cb -0.36 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.24 1tsi s ILE 7 CO 0.47 0.33 0.06 0.00 0.00 0.00 0.00 174.94 175.80 1tsi s ALA 8 N 1.06 2.91 -0.11 9.38 0.00 -1.05 -0.61 121.76 133.34 1tsi s ALA 8 Ca -0.07 -2.06 -0.05 0.00 0.00 0.00 0.00 51.96 49.78 1tsi s ALA 8 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1tsi s ALA 8 CO -0.01 -1.46 0.08 0.00 0.00 0.00 0.00 175.76 174.37 1tsi s ALA 9 N 1.18 3.62 -0.39 0.00 0.00 -0.18 -2.70 121.76 123.30 1tsi s ALA 9 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1tsi s ALA 9 Cb -0.21 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.18 1tsi s ALA 9 CO -0.03 0.58 0.22 0.00 0.00 0.00 0.00 175.76 176.54 1tsi s ALA 10 N -0.90 3.28 -0.85 0.00 0.00 0.71 -0.79 121.76 123.21 1tsi s ALA 10 Ca 0.14 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 1tsi s ALA 10 Cb -0.12 -2.62 0.18 0.00 0.00 0.00 0.00 23.12 20.57 1tsi s ALA 10 CO 0.03 -1.47 0.89 1.21 0.00 0.00 0.00 175.76 176.42 1tsi s ASN 11 N 1.74 6.69 0.08 0.00 2.47 0.17 -0.68 114.94 125.41 1tsi s ASN 11 Ca 0.02 -2.41 0.22 0.00 0.42 0.00 0.00 52.86 51.11 1tsi s ASN 11 Cb -0.20 -2.28 0.88 0.00 -1.45 0.00 0.00 41.25 38.19 1tsi s ASN 11 CO 0.05 -0.77 1.67 0.79 -3.72 0.00 0.00 177.10 175.13 1tsi n TRP 12 N 4.98 0.29 -2.16 0.43 8.01 -0.55 -4.43 117.44 124.02 1tsi n TRP 12 Ca 0.16 0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.46 1tsi n TRP 12 Cb 0.47 -0.67 0.00 0.00 -2.01 0.00 0.00 31.31 29.11 1tsi n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1tsi n LYS 13 N -1.75 0.00 -2.75 -0.99 5.02 -1.26 -3.37 118.16 113.06 1tsi n LYS 13 Ca 0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1tsi n LYS 13 Cb 0.26 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.28 1tsi n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tsi s ASN 15 N -1.54 0.25 0.00 0.00 0.01 -1.22 -5.15 114.94 107.29 1tsi s ASN 15 Ca 0.37 -1.14 0.00 0.00 -0.71 0.00 0.00 52.86 51.39 1tsi s ASN 15 Cb 0.16 0.33 0.00 0.00 0.41 0.00 0.00 41.25 42.14 1tsi s ASN 15 CO -0.07 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.37 1tsi n GLY 16 N -0.12 0.17 3.06 0.66 0.00 -1.26 -4.77 105.19 102.93 1tsi n GLY 16 Ca -0.06 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 1tsi n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tsi s SER 17 N -1.51 0.52 0.27 1.61 1.04 -1.26 -5.05 113.70 109.33 1tsi s SER 17 Ca 0.00 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 1tsi s SER 17 Cb 0.00 0.13 0.62 0.00 0.10 0.00 0.00 66.02 66.87 1tsi s SER 17 CO 0.00 -0.43 1.65 1.56 0.98 0.00 0.00 173.24 177.00 1tsi h GLN 18 N 3.81 0.19 0.89 4.02 4.20 -2.00 -2.05 115.11 124.17 1tsi h GLN 18 Ca -0.34 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.32 1tsi h GLN 18 Cb 1.17 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.92 1tsi h GLN 18 CO 0.54 0.13 -0.43 0.37 -0.67 0.00 0.00 178.83 178.77 1tsi h GLN 19 N 0.20 -1.16 -1.17 1.46 -0.00 -2.00 -2.39 115.11 110.05 1tsi h GLN 19 Ca 0.51 0.08 0.33 0.00 -0.00 0.00 0.00 58.65 59.56 1tsi h GLN 19 Cb 0.97 0.26 -0.08 0.00 0.00 0.00 0.00 27.48 28.63 1tsi h GLN 19 CO -0.64 -0.77 0.79 0.66 0.00 0.00 0.00 178.83 178.86 1tsi h SER 20 N -1.24 0.25 0.02 -0.69 4.64 -1.81 -2.33 113.55 112.39 1tsi h SER 20 Ca -0.12 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1tsi h SER 20 Cb 0.92 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1tsi h SER 20 CO 0.20 0.01 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.09 1tsi h LEU 21 N 0.20 -0.03 -0.81 5.97 3.38 -1.26 -2.62 115.31 120.13 1tsi h LEU 21 Ca 0.63 -0.58 0.18 0.00 0.09 0.00 0.00 57.88 58.20 1tsi h LEU 21 Cb 2.01 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 42.65 1tsi h LEU 21 CO -0.21 0.74 0.28 0.28 0.09 0.00 0.00 178.44 179.62 1tsi h SER 22 N -0.97 0.16 -0.14 -0.43 0.02 -1.09 0.56 113.55 111.66 1tsi h SER 22 Ca -0.00 0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1tsi h SER 22 Cb 0.61 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 1tsi h SER 22 CO 0.01 -0.01 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.16 1tsi h GLU 23 N 0.34 -0.23 0.06 3.45 3.07 -1.55 1.63 114.58 121.35 1tsi h GLU 23 Ca 0.48 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1tsi h GLU 23 Cb 0.85 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1tsi h GLU 23 CO -0.51 -0.16 -0.04 -0.07 -1.40 0.00 0.00 179.01 176.83 1tsi h LEU 24 N -0.24 -0.10 -1.42 1.33 3.38 0.22 -2.62 115.31 115.86 1tsi h LEU 24 Ca 0.10 0.01 0.41 0.00 0.09 0.00 0.00 57.88 58.49 1tsi h LEU 24 Cb 0.39 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1tsi h LEU 24 CO -0.28 -0.06 0.83 0.40 0.09 0.00 0.00 178.44 179.42 1tsi h ILE 25 N -0.09 0.19 0.60 1.22 2.04 0.06 0.17 117.51 121.69 1tsi h ILE 25 Ca -0.01 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1tsi h ILE 25 Cb 0.07 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1tsi h ILE 25 CO 0.01 0.02 -0.29 0.44 0.00 0.00 0.00 178.15 178.33 1tsi h ASP 26 N 0.13 -0.68 -0.35 1.72 3.32 0.28 0.84 116.42 121.67 1tsi h ASP 26 Ca 0.78 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.89 1tsi h ASP 26 Cb 2.42 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 42.08 1tsi h ASP 26 CO -0.39 -0.48 -0.45 0.25 -1.72 0.00 0.00 179.24 176.46 1tsi h LEU 27 N -0.82 -1.50 -0.00 1.55 5.85 -0.43 0.15 115.31 120.11 1tsi h LEU 27 Ca -0.08 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1tsi h LEU 27 Cb 0.62 0.62 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1tsi h LEU 27 CO 0.13 -0.31 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.66 1tsi h PHE 28 N -0.30 -0.01 -0.98 1.25 0.04 -1.15 -2.08 116.94 113.71 1tsi h PHE 28 Ca 0.06 0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.12 1tsi h PHE 28 Cb 0.46 0.01 -0.18 0.00 2.20 0.00 0.00 35.95 38.44 1tsi h PHE 28 CO -0.72 -0.00 0.10 -0.91 -0.60 0.00 0.00 178.31 176.18 1tsi h ASN 29 N -0.00 -0.35 -0.39 2.17 2.35 -0.39 0.94 115.58 119.91 1tsi h ASN 29 Ca 0.00 0.27 -0.23 0.00 -0.55 0.00 0.00 56.30 55.79 1tsi h ASN 29 Cb 0.00 0.44 -0.12 0.00 0.05 0.00 0.00 38.32 38.70 1tsi h ASN 29 CO -0.00 -0.35 0.30 -1.20 -1.65 0.00 0.00 177.43 174.52 1tsi n SER 30 N -5.44 4.55 -4.09 5.81 7.64 0.00 -4.59 113.62 117.51 1tsi n SER 30 Ca 0.25 -2.77 -0.32 0.00 1.01 0.00 0.00 58.87 57.04 1tsi n SER 30 Cb 0.81 -0.82 -0.16 0.00 -1.01 0.00 0.00 64.21 63.03 1tsi n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tsi s THR 31 N -1.55 1.96 -0.25 0.44 2.01 0.32 -4.96 115.64 113.62 1tsi s THR 31 Ca 0.24 -0.98 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 1tsi s THR 31 Cb 0.19 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1tsi s THR 31 CO 0.02 0.43 0.81 -0.94 -0.69 0.00 0.00 174.62 174.25 1tsi s SER 32 N 1.31 6.80 -0.50 3.53 1.04 -1.26 -4.97 113.70 119.66 1tsi s SER 32 Ca 0.03 0.99 -0.14 0.00 0.48 0.00 0.00 55.95 57.30 1tsi s SER 32 Cb -0.14 -2.43 0.10 0.00 0.10 0.00 0.00 66.02 63.66 1tsi s SER 32 CO -0.11 -0.51 0.42 -0.63 0.98 0.00 0.00 173.24 173.39 1tsi s ILE 33 N 2.83 4.99 0.44 -1.02 1.01 -1.26 -4.95 121.20 123.25 1tsi s ILE 33 Ca 0.34 -1.37 0.12 0.00 0.00 0.00 0.00 60.65 59.74 1tsi s ILE 33 Cb -0.15 -4.12 0.22 0.00 0.01 0.00 0.00 42.46 38.42 1tsi s ILE 33 CO 0.08 -0.72 2.04 0.78 0.00 0.00 0.00 174.94 177.12 1tsi h ASN 34 N 8.74 0.17 -5.02 3.58 4.21 -2.02 -3.46 115.58 121.78 1tsi h ASN 34 Ca -0.28 -0.02 -0.24 0.00 1.21 0.00 0.00 56.30 56.98 1tsi h ASN 34 Cb 1.10 -0.04 0.02 0.00 -1.12 0.00 0.00 38.32 38.28 1tsi h ASN 34 CO 0.93 0.22 -0.01 0.00 -1.29 0.00 0.00 177.43 177.28 1tsi n HIS 35 N -4.42 -2.80 -3.06 1.19 1.44 -1.26 -5.05 115.22 101.25 1tsi n HIS 35 Ca -0.01 -1.01 -0.43 0.00 -2.01 0.00 0.00 57.72 54.26 1tsi n HIS 35 Cb 0.16 -0.30 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 1tsi n HIS 35 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1tsi s ASP 36 N -2.88 6.35 0.13 4.39 2.15 -1.26 -4.96 116.67 120.59 1tsi s ASP 36 Ca 0.31 -0.25 -0.13 0.00 0.43 0.00 0.00 52.55 52.91 1tsi s ASP 36 Cb -0.02 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1tsi s ASP 36 CO 0.20 -0.81 0.35 0.54 -0.17 0.00 0.00 175.17 175.28 1tsi s VAL 37 N 2.96 0.08 -0.26 1.11 0.11 -1.26 -4.40 120.40 118.74 1tsi s VAL 37 Ca 0.25 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1tsi s VAL 37 Cb -0.13 -1.39 0.05 0.00 -1.53 0.00 0.00 36.38 33.38 1tsi s VAL 37 CO 0.20 -0.36 -0.10 -1.58 -3.33 0.00 0.00 175.10 169.92 1tsi s GLN 38 N -3.86 2.36 -0.09 1.54 2.00 -0.34 -4.91 119.66 116.36 1tsi s GLN 38 Ca 0.07 -1.27 -0.16 0.00 -2.00 0.00 0.00 55.36 51.99 1tsi s GLN 38 Cb 0.02 -2.90 -0.05 0.00 0.80 0.00 0.00 33.01 30.89 1tsi s GLN 38 CO -0.08 -0.53 0.42 0.00 -0.50 0.00 0.00 175.29 174.59 1tsi s VAL 40 N 0.10 1.93 -0.17 0.00 1.01 -1.10 0.32 120.40 122.49 1tsi s VAL 40 Ca 0.23 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1tsi s VAL 40 Cb -0.15 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.64 1tsi s VAL 40 CO 0.10 0.44 -0.12 -0.69 0.00 0.00 0.00 175.10 174.83 1tsi s VAL 41 N -0.66 1.60 -0.55 2.92 1.01 1.37 -0.21 120.40 125.88 1tsi s VAL 41 Ca 0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1tsi s VAL 41 Cb -0.09 -1.59 0.14 0.00 0.00 0.00 0.00 36.38 34.84 1tsi s VAL 41 CO 0.00 0.32 0.36 0.00 0.00 0.00 0.00 175.10 175.78 1tsi s ALA 42 N 1.45 3.44 0.45 5.51 0.00 0.14 0.39 121.76 133.14 1tsi s ALA 42 Ca 0.02 -2.99 0.07 0.00 0.00 0.00 0.00 51.96 49.06 1tsi s ALA 42 Cb -0.14 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 1tsi s ALA 42 CO -0.09 -2.00 0.43 -1.54 0.00 0.00 0.00 175.76 172.55 1tsi s SER 43 N 1.18 5.02 0.81 0.00 1.04 -1.20 -1.48 113.70 119.07 1tsi s SER 43 Ca 0.14 -0.82 -0.10 0.00 0.48 0.00 0.00 55.95 55.64 1tsi s SER 43 Cb -0.21 -0.35 0.08 0.00 0.10 0.00 0.00 66.02 65.64 1tsi s SER 43 CO -0.04 -0.79 1.10 0.42 0.98 0.00 0.00 173.24 174.92 1tsi s THR 44 N -2.53 3.02 0.13 2.02 -4.23 -1.26 -4.31 115.64 108.47 1tsi s THR 44 Ca 0.47 0.33 -0.19 0.00 -1.18 0.00 0.00 61.69 61.12 1tsi s THR 44 Cb -0.04 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 1tsi s THR 44 CO 0.28 -0.43 1.75 -0.26 -0.54 0.00 0.00 174.62 175.42 1tsi h PHE 45 N -1.32 0.13 -0.72 3.99 0.04 -1.98 -1.59 116.94 115.48 1tsi h PHE 45 Ca -0.44 0.01 0.20 0.00 2.80 0.00 0.00 57.97 60.54 1tsi h PHE 45 Cb 1.24 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 1tsi h PHE 45 CO 0.56 0.06 0.51 0.28 -0.60 0.00 0.00 178.31 179.12 1tsi h VAL 46 N 0.17 0.67 -0.49 -0.55 2.07 -2.02 0.48 116.25 116.57 1tsi h VAL 46 Ca 0.09 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1tsi h VAL 46 Cb 0.06 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1tsi h VAL 46 CO -0.09 0.01 0.00 1.41 0.02 0.00 0.00 177.57 178.92 1tsi n HIS 47 N -4.36 1.55 -0.16 1.57 8.25 -0.63 -4.46 115.22 116.98 1tsi n HIS 47 Ca 0.14 -0.74 -0.07 0.00 -0.26 0.00 0.00 57.72 56.79 1tsi n HIS 47 Cb 0.74 -0.38 0.08 0.00 1.12 0.00 0.00 29.99 31.56 1tsi n HIS 47 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1tsi h LEU 48 N 3.28 0.92 -0.24 2.41 5.85 -0.48 -3.05 115.31 124.00 1tsi h LEU 48 Ca 0.00 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1tsi h LEU 48 Cb 1.66 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1tsi h LEU 48 CO 0.34 1.00 -0.01 0.00 -0.34 0.00 0.00 178.44 179.42 1tsi h ALA 49 N 1.10 0.32 0.10 1.25 0.00 -1.78 -2.46 119.26 117.79 1tsi h ALA 49 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tsi h ALA 49 Cb 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1tsi h ALA 49 CO 0.03 0.07 -0.31 1.98 0.00 0.00 0.00 179.25 181.02 1tsi h MET 50 N 0.19 -0.45 -0.49 0.00 1.85 -1.83 -0.91 114.93 113.29 1tsi h MET 50 Ca 0.07 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.28 1tsi h MET 50 Cb 0.43 0.10 -0.08 0.00 0.43 0.00 0.00 31.60 32.49 1tsi h MET 50 CO 0.01 -0.30 0.02 1.15 -0.40 0.00 0.00 176.91 177.40 1tsi h THR 51 N -0.46 0.64 -0.27 -0.77 2.02 -1.65 -1.26 112.91 111.16 1tsi h THR 51 Ca -0.01 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1tsi h THR 51 Cb 0.45 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1tsi h THR 51 CO -0.15 0.03 -0.10 0.50 0.37 0.00 0.00 175.52 176.16 1tsi h LYS 52 N 0.14 -0.05 0.00 6.66 3.64 -1.26 1.00 116.57 126.70 1tsi h LYS 52 Ca 0.25 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1tsi h LYS 52 Cb 0.36 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1tsi h LYS 52 CO -0.39 -0.03 -0.17 1.49 -2.27 0.00 0.00 179.45 178.08 1tsi h GLU 53 N -0.05 0.00 0.00 1.90 4.81 -0.55 -3.35 114.58 117.34 1tsi h GLU 53 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1tsi h GLU 53 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1tsi h GLU 53 CO -0.31 0.17 -1.60 0.54 -0.73 0.00 0.00 179.01 177.08 1tsi n ARG 54 N -3.26 0.59 -2.26 1.92 1.74 -0.53 -4.92 116.66 109.93 1tsi n ARG 54 Ca 0.01 -0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 1tsi n ARG 54 Cb 0.44 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1tsi n ARG 54 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1tsi s LEU 55 N -3.92 4.11 -0.08 0.55 1.43 0.34 -4.83 118.68 116.27 1tsi s LEU 55 Ca -0.05 1.73 0.12 0.00 -1.03 0.00 0.00 54.13 54.90 1tsi s LEU 55 Cb 0.10 -3.54 -0.17 0.00 0.03 0.00 0.00 46.19 42.61 1tsi s LEU 55 CO 0.62 -0.95 0.14 -1.20 0.23 0.00 0.00 176.35 175.19 1tsi n SER 56 N 7.25 2.04 -4.63 2.29 7.64 -1.26 -4.95 113.62 122.00 1tsi n SER 56 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 1tsi n SER 56 Cb 0.45 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 1tsi n SER 56 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1tsi n HIS 57 N -2.24 1.50 0.21 1.43 -0.00 -1.26 -4.93 115.22 109.93 1tsi n HIS 57 Ca -0.13 0.58 0.10 0.00 -0.00 0.00 0.00 57.72 58.27 1tsi n HIS 57 Cb 0.66 -2.28 0.35 0.00 -0.00 0.00 0.00 29.99 28.72 1tsi n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1tsi h PRO 58 N 1.86 0.00 -0.01 1.57 0.11 -1.95 -3.19 132.00 130.39 1tsi h PRO 58 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1tsi h PRO 58 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1tsi h PRO 58 CO 0.59 0.21 -0.27 1.63 -0.21 0.00 0.00 178.00 179.95 1tsi n LYS 59 N -3.26 0.91 -3.97 1.05 5.02 -1.26 -4.96 118.16 111.69 1tsi n LYS 59 Ca 0.01 -0.57 -0.29 0.00 -2.02 0.00 0.00 58.31 55.45 1tsi n LYS 59 Cb 0.49 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 1tsi n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1tsi s PHE 60 N -2.48 3.41 -0.00 2.13 0.40 -1.21 0.23 117.98 120.46 1tsi s PHE 60 Ca 0.24 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.74 1tsi s PHE 60 Cb 0.19 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 1tsi s PHE 60 CO 0.52 0.55 -0.06 0.14 0.70 0.00 0.00 175.22 177.07 1tsi s VAL 61 N -1.59 0.46 0.16 -0.44 -7.23 0.95 -4.89 120.40 107.82 1tsi s VAL 61 Ca 0.33 -0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 60.05 1tsi s VAL 61 Cb -0.12 -0.39 -0.07 0.00 0.56 0.00 0.00 36.38 36.36 1tsi s VAL 61 CO 0.27 0.10 0.61 -0.63 -0.31 0.00 0.00 175.10 175.14 1tsi s ILE 62 N -0.19 4.73 -0.09 -0.62 1.09 -1.25 0.41 121.20 125.28 1tsi s ILE 62 Ca 0.02 1.06 -0.05 0.00 -1.10 0.00 0.00 60.65 60.58 1tsi s ILE 62 Cb -0.03 -3.81 0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1tsi s ILE 62 CO -0.00 0.30 0.22 0.00 -0.10 0.00 0.00 174.94 175.35 1tsi s ALA 63 N -1.41 -0.49 0.88 9.38 0.00 1.27 -4.44 121.76 126.95 1tsi s ALA 63 Ca 0.38 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1tsi s ALA 63 Cb -0.17 -0.54 0.12 0.00 0.00 0.00 0.00 23.12 22.54 1tsi s ALA 63 CO 0.20 -0.17 1.12 0.00 0.00 0.00 0.00 175.76 176.90 1tsi s ALA 64 N 1.00 1.61 -2.00 0.00 0.00 -1.14 -3.26 121.76 117.97 1tsi s ALA 64 Ca -0.07 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.44 1tsi s ALA 64 Cb -0.09 -3.35 0.25 0.00 0.00 0.00 0.00 23.12 19.93 1tsi s ALA 64 CO -0.06 -2.47 1.18 1.04 0.00 0.00 0.00 175.76 175.45 1tsi n GLN 65 N -4.01 1.91 -3.85 0.00 6.02 -1.26 -2.99 117.38 113.20 1tsi n GLN 65 Ca 0.10 -1.83 0.04 0.00 -0.01 0.00 0.00 57.00 55.30 1tsi n GLN 65 Cb 0.53 -1.37 0.01 0.00 1.02 0.00 0.00 30.24 30.42 1tsi n GLN 65 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1tsi s ASN 66 N -1.33 -0.00 -0.03 1.08 3.04 -1.25 -4.69 114.94 111.75 1tsi s ASN 66 Ca 0.26 -0.04 -0.26 0.00 0.04 0.00 0.00 52.86 52.86 1tsi s ASN 66 Cb 0.16 0.03 0.09 0.00 -1.54 0.00 0.00 41.25 39.99 1tsi s ASN 66 CO 0.23 -0.07 1.18 0.00 -3.04 0.00 0.00 177.10 175.41 1tsi n ALA 67 N -0.79 -3.34 -2.80 1.71 0.00 -1.26 -4.94 120.51 109.09 1tsi n ALA 67 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.59 1tsi n ALA 67 Cb 0.60 0.11 -0.11 0.00 0.00 0.00 0.00 19.45 20.05 1tsi n ALA 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1tsi s ILE 68 N -2.02 0.63 0.14 0.00 -4.36 0.29 -4.93 121.20 110.94 1tsi s ILE 68 Ca 0.28 -1.16 -0.19 0.00 -0.26 0.00 0.00 60.65 59.32 1tsi s ILE 68 Cb -0.01 -0.74 -0.01 0.00 1.25 0.00 0.00 42.46 42.96 1tsi s ILE 68 CO -0.01 -0.39 1.71 0.00 0.24 0.00 0.00 174.94 176.49 1tsi h ALA 69 N 4.37 0.21 -4.25 2.27 0.00 -1.91 0.14 119.26 120.10 1tsi h ALA 69 Ca -0.36 0.07 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 1tsi h ALA 69 Cb 1.20 0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.81 1tsi h ALA 69 CO 0.42 -0.43 -0.85 -1.59 0.00 0.00 0.00 179.25 176.80 1tsi s LYS 70 N -6.19 1.78 0.63 0.00 -2.85 -1.26 -3.74 119.74 108.11 1tsi s LYS 70 Ca -0.13 -0.72 -0.17 0.00 -1.00 0.00 0.00 55.97 53.95 1tsi s LYS 70 Cb 0.11 -1.64 -0.01 0.00 -2.06 0.00 0.00 37.83 34.22 1tsi s LYS 70 CO 0.69 0.38 1.18 -1.12 0.10 0.00 0.00 175.35 176.58 1tsi s SER 71 N -0.31 4.99 0.00 0.03 0.01 -1.26 -4.82 113.70 112.33 1tsi s SER 71 Ca 0.04 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1tsi s SER 71 Cb -0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1tsi s SER 71 CO 0.00 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.54 1tsi n GLY 72 N 0.23 -0.58 3.49 3.44 0.00 -1.26 -5.02 105.19 105.48 1tsi n GLY 72 Ca 0.13 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 1tsi n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsi s ALA 73 N -1.00 3.64 -0.48 4.61 0.00 -1.26 -4.77 121.76 122.51 1tsi s ALA 73 Ca 0.00 -3.07 0.08 0.00 0.00 0.00 0.00 51.96 48.97 1tsi s ALA 73 Cb 0.00 -4.24 0.28 0.00 0.00 0.00 0.00 23.12 19.16 1tsi s ALA 73 CO 0.00 -2.98 0.67 1.19 0.00 0.00 0.00 175.76 174.64 1tsi n PHE 74 N 6.60 1.36 -1.48 0.00 3.72 -1.26 -5.06 117.46 121.34 1tsi n PHE 74 Ca 0.36 -3.82 -0.30 0.00 -0.05 0.00 0.00 57.45 53.64 1tsi n PHE 74 Cb 0.45 -0.44 -0.19 0.00 -0.94 0.00 0.00 39.48 38.37 1tsi n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1tsi n THR 75 N 0.85 0.00 0.00 4.37 -1.04 -1.26 0.16 114.28 117.35 1tsi n THR 75 Ca 0.25 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1tsi n THR 75 Cb 0.51 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1tsi n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tsi n GLY 76 N 5.86 1.26 3.88 3.41 0.00 -1.26 -5.10 105.19 113.24 1tsi n GLY 76 Ca 0.66 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.36 1tsi n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tsi s GLU 77 N 0.00 3.76 -0.21 1.61 0.41 0.42 -5.11 118.70 119.58 1tsi s GLU 77 Ca 0.00 0.18 -0.05 0.00 -0.41 0.00 0.00 54.97 54.69 1tsi s GLU 77 Cb 0.00 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.61 1tsi s GLU 77 CO 0.00 0.37 0.01 0.08 -0.49 0.00 0.00 175.26 175.23 1tsi s VAL 78 N -1.76 3.97 0.63 2.63 1.01 -1.26 -4.90 120.40 120.72 1tsi s VAL 78 Ca 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1tsi s VAL 78 Cb -0.12 -2.81 0.06 0.00 0.00 0.00 0.00 36.38 33.52 1tsi s VAL 78 CO 0.22 0.41 0.89 -0.94 0.00 0.00 0.00 175.10 175.68 1tsi s SER 79 N 1.17 4.94 0.10 3.32 1.04 -1.26 -0.55 113.70 122.46 1tsi s SER 79 Ca 0.03 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.32 1tsi s SER 79 Cb -0.14 -0.77 -0.09 0.00 0.10 0.00 0.00 66.02 65.11 1tsi s SER 79 CO 0.01 -1.43 1.65 -0.07 0.98 0.00 0.00 173.24 174.39 1tsi h LEU 80 N -0.26 0.25 -0.27 2.42 3.38 -0.79 -3.15 115.31 116.89 1tsi h LEU 80 Ca -0.42 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.47 1tsi h LEU 80 Cb 1.30 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1tsi h LEU 80 CO 0.52 0.32 -0.04 -0.65 0.09 0.00 0.00 178.44 178.68 1tsi h PRO 81 N 0.17 0.03 -0.90 1.13 0.11 -1.86 -0.94 132.00 129.73 1tsi h PRO 81 Ca 0.06 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.35 1tsi h PRO 81 Cb 0.14 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.17 1tsi h PRO 81 CO -0.01 0.02 0.58 0.82 -0.21 0.00 0.00 178.00 179.21 1tsi h ILE 82 N 0.03 0.75 0.01 4.15 2.04 -1.96 -1.16 117.51 121.37 1tsi h ILE 82 Ca 0.13 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.64 1tsi h ILE 82 Cb 0.19 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1tsi h ILE 82 CO -0.26 0.10 -0.60 -0.07 0.00 0.00 0.00 178.15 177.32 1tsi h LEU 83 N 0.57 0.52 -0.23 1.44 3.38 -1.33 -2.15 115.31 117.51 1tsi h LEU 83 Ca 0.47 -0.77 0.06 0.00 0.09 0.00 0.00 57.88 57.73 1tsi h LEU 83 Cb 0.93 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1tsi h LEU 83 CO -0.21 1.23 -0.20 0.50 0.09 0.00 0.00 178.44 179.84 1tsi h LYS 84 N -0.13 -0.20 -0.63 1.13 3.64 -0.40 0.66 116.57 120.64 1tsi h LYS 84 Ca -0.08 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1tsi h LYS 84 Cb 1.33 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1tsi h LYS 84 CO 0.12 -0.14 0.35 0.22 -2.27 0.00 0.00 179.45 177.73 1tsi h ASP 85 N -0.21 0.51 0.32 4.20 3.58 -1.33 0.60 116.42 124.10 1tsi h ASP 85 Ca 0.13 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1tsi h ASP 85 Cb 0.41 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1tsi h ASP 85 CO -0.35 0.34 0.00 0.33 -2.88 0.00 0.00 179.24 176.67 1tsi n PHE 86 N -4.81 0.00 -0.61 0.28 7.35 -0.50 -4.80 117.46 114.37 1tsi n PHE 86 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1tsi n PHE 86 Cb 0.16 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.55 1tsi n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1tsi n GLY 87 N -0.40 0.89 3.55 7.13 0.00 0.21 -5.06 105.19 111.51 1tsi n GLY 87 Ca 0.03 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1tsi n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tsi s VAL 88 N -2.00 5.27 -0.89 1.61 1.01 0.11 -4.99 120.40 120.52 1tsi s VAL 88 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1tsi s VAL 88 Cb 0.00 -3.68 0.19 0.00 0.00 0.00 0.00 36.38 32.89 1tsi s VAL 88 CO 0.00 0.05 1.07 -0.46 0.00 0.00 0.00 175.10 175.76 1tsi n ASN 89 N 5.14 2.43 -4.28 3.32 6.94 -1.26 -3.83 115.26 123.71 1tsi n ASN 89 Ca -0.12 -1.79 -0.24 0.00 -0.02 0.00 0.00 54.58 52.40 1tsi n ASN 89 Cb 0.50 -0.13 -0.13 0.00 -2.36 0.00 0.00 39.78 37.67 1tsi n ASN 89 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1tsi s TRP 90 N -0.92 1.79 0.13 -2.53 0.52 -1.26 0.26 118.94 116.93 1tsi s TRP 90 Ca 0.16 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.78 1tsi s TRP 90 Cb 0.09 -1.00 -0.00 0.00 -1.15 0.00 0.00 33.47 31.41 1tsi s TRP 90 CO 0.12 0.18 0.27 -1.50 0.02 0.00 0.00 176.95 176.05 1tsi s ILE 91 N -1.08 0.09 -0.16 2.03 2.07 -0.70 -2.90 121.20 120.54 1tsi s ILE 91 Ca 0.07 -1.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.10 1tsi s ILE 91 Cb -0.10 -1.58 0.03 0.00 0.13 0.00 0.00 42.46 40.94 1tsi s ILE 91 CO 0.04 -0.42 -0.12 -0.69 -1.91 0.00 0.00 174.94 171.83 1tsi s VAL 92 N -3.91 1.54 0.24 4.00 1.01 -1.16 -0.42 120.40 121.71 1tsi s VAL 92 Ca 0.11 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.46 1tsi s VAL 92 Cb 0.04 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1tsi s VAL 92 CO -0.05 0.34 -0.19 -0.76 0.00 0.00 0.00 175.10 174.44 1tsi s LEU 93 N 1.48 2.54 0.00 3.92 1.43 0.35 -3.80 118.68 124.60 1tsi s LEU 93 Ca 0.03 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1tsi s LEU 93 Cb -0.14 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.09 1tsi s LEU 93 CO -0.10 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1tsi n GLY 94 N -0.35 0.83 3.49 -3.19 0.00 -1.26 -1.38 105.19 103.33 1tsi n GLY 94 Ca -0.08 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.37 1tsi n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1tsi n HIS 95 N -2.15 0.52 -0.31 1.61 -0.00 -1.26 -4.40 115.22 109.24 1tsi n HIS 95 Ca 0.00 1.04 -0.02 0.00 0.46 0.00 0.00 57.72 59.21 1tsi n HIS 95 Cb 0.01 -2.08 0.02 0.00 -0.12 0.00 0.00 29.99 27.82 1tsi n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1tsi n SER 96 N 1.57 -0.55 0.30 0.26 3.41 -1.26 0.37 113.62 117.73 1tsi n SER 96 Ca 0.20 1.39 0.16 0.00 -0.26 0.00 0.00 58.87 60.36 1tsi n SER 96 Cb 0.10 -0.31 0.92 0.00 -0.26 0.00 0.00 64.21 64.67 1tsi n SER 96 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tsi h GLU 97 N 0.00 0.00 0.17 4.33 3.07 -1.99 -2.40 114.58 117.77 1tsi h GLU 97 Ca 0.26 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.86 1tsi h GLU 97 Cb 0.46 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1tsi h GLU 97 CO -0.79 0.02 -1.14 0.00 -1.40 0.00 0.00 179.01 175.70 1tsi h ARG 98 N 0.00 0.47 0.86 2.33 3.08 -0.40 0.11 114.38 120.82 1tsi h ARG 98 Ca -0.00 -0.74 -0.04 0.00 0.07 0.00 0.00 59.98 59.28 1tsi h ARG 98 Cb 0.06 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1tsi h ARG 98 CO 0.00 1.34 -0.48 0.00 -1.07 0.00 0.00 179.97 179.76 1tsi h ARG 99 N -0.03 -1.20 -0.04 0.04 3.08 -1.36 0.43 114.38 115.31 1tsi h ARG 99 Ca -0.19 0.08 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1tsi h ARG 99 Cb 1.88 0.27 -0.06 0.00 0.08 0.00 0.00 29.97 32.14 1tsi h ARG 99 CO 0.22 -0.80 -0.50 0.00 -1.07 0.00 0.00 179.97 177.81 1tsi h ALA 100 N -1.27 -0.85 0.00 0.04 0.00 -1.57 -3.09 119.26 112.52 1tsi h ALA 100 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1tsi h ALA 100 Cb 0.98 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1tsi h ALA 100 CO 0.15 -1.06 -1.33 0.66 0.00 0.00 0.00 179.25 177.66 1tsi n TYR 101 N -5.45 0.07 -1.67 0.00 4.01 0.02 -4.47 117.16 109.67 1tsi n TYR 101 Ca -0.06 0.02 0.04 0.00 -0.16 0.00 0.00 57.90 57.74 1tsi n TYR 101 Cb 0.39 -0.28 0.19 0.00 -0.31 0.00 0.00 39.34 39.33 1tsi n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1tsi n TYR 102 N -1.87 0.18 -2.97 -0.72 4.01 0.15 -4.99 117.16 110.95 1tsi n TYR 102 Ca 0.01 -1.50 -0.10 0.00 -0.16 0.00 0.00 57.90 56.14 1tsi n TYR 102 Cb 0.44 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 1tsi n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tsi n GLY 103 N -1.02 -0.48 3.55 2.72 0.00 -1.11 -4.89 105.19 103.96 1tsi n GLY 103 Ca 0.20 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1tsi n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tsi s GLU 104 N -5.52 3.30 0.83 1.61 2.12 -1.20 -4.99 118.70 114.85 1tsi s GLU 104 Ca 0.19 -0.50 -0.12 0.00 0.36 0.00 0.00 54.97 54.90 1tsi s GLU 104 Cb -0.11 -4.57 0.09 0.00 0.26 0.00 0.00 34.13 29.80 1tsi s GLU 104 CO 0.24 -2.19 1.12 0.95 -0.54 0.00 0.00 175.26 174.84 1tsi s THR 105 N 5.60 2.62 0.25 -1.70 -4.23 -1.26 -4.05 115.64 112.86 1tsi s THR 105 Ca 0.39 0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1tsi s THR 105 Cb -0.06 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 71.06 1tsi s THR 105 CO 0.07 -0.26 1.63 0.78 -0.54 0.00 0.00 174.62 176.30 1tsi h ASN 106 N -1.18 -0.34 0.06 3.99 2.35 -1.98 0.11 115.58 118.59 1tsi h ASN 106 Ca -0.48 0.20 -0.16 0.00 -0.55 0.00 0.00 56.30 55.31 1tsi h ASN 106 Cb 1.30 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 40.01 1tsi h ASN 106 CO 0.62 -0.18 -0.54 -0.33 -1.65 0.00 0.00 177.43 175.34 1tsi h GLU 107 N 0.10 0.51 0.07 0.81 3.07 -1.95 -1.76 114.58 115.45 1tsi h GLU 107 Ca 0.42 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1tsi h GLU 107 Cb 0.75 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1tsi h GLU 107 CO -0.67 0.92 -0.03 0.82 -1.40 0.00 0.00 179.01 178.65 1tsi h ILE 108 N 0.40 1.11 0.17 3.13 1.08 -1.59 0.16 117.51 121.97 1tsi h ILE 108 Ca 0.01 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1tsi h ILE 108 Cb 1.08 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1tsi h ILE 108 CO 0.10 0.16 -0.08 0.58 -0.69 0.00 0.00 178.15 178.22 1tsi h VAL 109 N -0.38 0.85 -0.54 1.67 2.07 -0.88 -0.73 116.25 118.32 1tsi h VAL 109 Ca -0.01 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.53 1tsi h VAL 109 Cb 0.33 0.91 -0.11 0.00 -1.52 0.00 0.00 31.29 30.90 1tsi h VAL 109 CO 0.02 0.02 -0.23 0.00 0.02 0.00 0.00 177.57 177.39 1tsi h ALA 110 N 0.56 0.15 0.00 1.67 0.00 -1.32 0.36 119.26 120.69 1tsi h ALA 110 Ca -0.02 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1tsi h ALA 110 Cb 0.21 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1tsi h ALA 110 CO 0.04 -0.56 -0.30 -0.44 0.00 0.00 0.00 179.25 177.99 1tsi h ASP 111 N -0.10 0.00 0.39 0.00 3.32 -0.39 -1.91 116.42 117.72 1tsi h ASP 111 Ca 0.25 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.98 1tsi h ASP 111 Cb 0.49 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.05 1tsi h ASP 111 CO -0.60 0.30 -1.48 0.11 -1.72 0.00 0.00 179.24 175.85 1tsi h LYS 112 N 0.00 0.38 -0.27 3.56 1.57 0.05 -2.89 116.57 118.97 1tsi h LYS 112 Ca -0.00 -0.66 0.06 0.00 -1.87 0.00 0.00 60.65 58.18 1tsi h LYS 112 Cb 0.56 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 1tsi h LYS 112 CO 0.04 1.29 -0.11 0.28 -0.57 0.00 0.00 179.45 180.38 1tsi h VAL 113 N 0.10 0.63 0.16 0.50 2.07 -0.06 0.20 116.25 119.86 1tsi h VAL 113 Ca -0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1tsi h VAL 113 Cb 2.08 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1tsi h VAL 113 CO 0.22 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.48 1tsi h ALA 114 N 1.17 -0.59 -0.75 1.67 0.00 -1.47 -1.13 119.26 118.16 1tsi h ALA 114 Ca 0.14 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1tsi h ALA 114 Cb 0.28 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1tsi h ALA 114 CO -0.32 -0.88 0.40 0.00 0.00 0.00 0.00 179.25 178.45 1tsi h ALA 115 N 0.04 1.05 -0.98 0.00 0.00 -1.10 0.95 119.26 119.22 1tsi h ALA 115 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1tsi h ALA 115 Cb 0.59 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1tsi h ALA 115 CO -0.17 0.01 0.64 0.00 0.00 0.00 0.00 179.25 179.74 1tsi h ALA 116 N 1.43 1.29 0.48 0.00 0.00 -0.14 -2.52 119.26 119.82 1tsi h ALA 116 Ca 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1tsi h ALA 116 Cb 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1tsi h ALA 116 CO -0.26 0.54 -0.23 0.28 0.00 0.00 0.00 179.25 179.58 1tsi h VAL 117 N 1.25 0.00 0.00 0.00 2.07 -0.13 0.90 116.25 120.34 1tsi h VAL 117 Ca 0.39 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1tsi h VAL 117 Cb -0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1tsi h VAL 117 CO -0.12 0.00 0.43 0.00 0.02 0.00 0.00 177.57 177.90 1tsi h ALA 118 N -1.59 1.40 -0.31 1.67 0.00 -0.63 0.96 119.26 120.75 1tsi h ALA 118 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tsi h ALA 118 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tsi h ALA 118 CO 0.11 -0.40 0.00 0.43 0.00 0.00 0.00 179.25 179.39 1tsi n SER 119 N -2.57 2.21 -1.54 0.00 7.64 -0.97 -4.89 113.62 113.51 1tsi n SER 119 Ca -0.01 -1.87 -0.07 0.00 1.01 0.00 0.00 58.87 57.92 1tsi n SER 119 Cb 0.46 -0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.48 1tsi n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tsi n GLY 120 N 1.21 0.41 3.94 0.23 0.00 0.33 -5.03 105.19 106.29 1tsi n GLY 120 Ca 0.16 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1tsi n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tsi s PHE 121 N -3.10 3.48 -0.73 1.61 0.08 0.31 -4.93 117.98 114.70 1tsi s PHE 121 Ca 0.14 0.28 -0.08 0.00 0.12 0.00 0.00 56.93 57.39 1tsi s PHE 121 Cb -0.06 -1.81 0.19 0.00 -0.57 0.00 0.00 43.02 40.76 1tsi s PHE 121 CO 0.23 0.33 0.60 1.41 -0.10 0.00 0.00 175.22 177.69 1tsi s MET 122 N -3.67 3.07 -0.10 0.44 -2.45 0.14 -4.48 119.30 112.25 1tsi s MET 122 Ca 0.38 -2.52 -0.23 0.00 -1.25 0.00 0.00 55.69 52.07 1tsi s MET 122 Cb -0.10 -4.06 -0.03 0.00 1.25 0.00 0.00 34.83 31.88 1tsi s MET 122 CO 0.31 -1.23 0.67 0.08 1.05 0.00 0.00 175.02 175.90 1tsi s VAL 123 N 0.00 5.05 -0.39 10.11 1.01 -0.86 -1.73 120.40 133.59 1tsi s VAL 123 Ca 0.18 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1tsi s VAL 123 Cb -0.15 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1tsi s VAL 123 CO -0.06 0.23 0.24 -0.63 0.00 0.00 0.00 175.10 174.87 1tsi s ILE 124 N 1.02 4.67 -0.13 2.22 1.01 0.44 -0.88 121.20 129.57 1tsi s ILE 124 Ca 0.35 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1tsi s ILE 124 Cb -0.17 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1tsi s ILE 124 CO 0.16 -0.30 0.26 0.00 0.00 0.00 0.00 174.94 175.05 1tsi s ALA 125 N 1.56 3.69 0.07 9.38 0.00 0.22 -0.50 121.76 136.18 1tsi s ALA 125 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1tsi s ALA 125 Cb -0.20 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1tsi s ALA 125 CO 0.07 0.29 0.19 0.00 0.00 0.00 0.00 175.76 176.31 1tsi s ILE 127 N -1.51 0.08 0.00 0.00 -4.36 -0.65 -4.72 121.20 110.04 1tsi s ILE 127 Ca 0.34 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 1tsi s ILE 127 Cb -0.13 -1.23 0.00 0.00 1.25 0.00 0.00 42.46 42.36 1tsi s ILE 127 CO 0.27 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.68 1tsi n GLY 128 N -0.19 3.69 3.88 6.27 0.00 -1.25 0.57 105.19 118.14 1tsi n GLY 128 Ca -0.15 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1tsi n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tsi s GLU 129 N -2.39 3.70 0.60 1.61 4.04 -1.25 -4.77 118.70 120.24 1tsi s GLU 129 Ca 0.00 0.08 -0.08 0.00 0.04 0.00 0.00 54.97 55.01 1tsi s GLU 129 Cb 0.00 -2.98 -0.01 0.00 0.02 0.00 0.00 34.13 31.16 1tsi s GLU 129 CO 0.00 0.56 0.95 0.95 -1.84 0.00 0.00 175.26 175.87 1tsi s THR 130 N -1.43 4.08 0.19 1.83 -4.23 -1.26 -1.59 115.64 113.23 1tsi s THR 130 Ca 0.33 0.32 -0.19 0.00 -1.18 0.00 0.00 61.69 60.97 1tsi s THR 130 Cb -0.13 -3.62 0.14 0.00 1.34 0.00 0.00 72.50 70.22 1tsi s THR 130 CO 0.19 -0.71 1.60 0.25 -0.54 0.00 0.00 174.62 175.41 1tsi h LEU 131 N -0.23 -0.99 -0.14 4.79 6.46 -1.82 0.39 115.31 123.77 1tsi h LEU 131 Ca -0.45 0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.54 1tsi h LEU 131 Cb 1.23 0.51 -0.04 0.00 -0.73 0.00 0.00 40.66 41.63 1tsi h LEU 131 CO 0.62 -0.28 -0.32 1.56 -0.62 0.00 0.00 178.44 179.39 1tsi h GLN 132 N -0.14 -0.29 -0.40 1.25 4.20 -1.96 0.13 115.11 117.91 1tsi h GLN 132 Ca 0.24 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.04 1tsi h GLN 132 Cb 0.53 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.30 1tsi h GLN 132 CO -0.64 -0.19 -0.05 0.93 -0.67 0.00 0.00 178.83 178.21 1tsi h GLU 133 N -0.30 0.05 -0.35 1.46 5.08 -1.78 -0.70 114.58 118.04 1tsi h GLU 133 Ca 0.03 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1tsi h GLU 133 Cb 0.38 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1tsi h GLU 133 CO -0.29 0.03 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.49 1tsi h ARG 134 N 0.05 -0.11 -0.59 2.33 2.43 -0.36 -1.66 114.38 116.47 1tsi h ARG 134 Ca 0.19 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.49 1tsi h ARG 134 Cb 0.29 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.77 1tsi h ARG 134 CO -0.37 -0.08 0.02 0.93 -1.51 0.00 0.00 179.97 178.97 1tsi h GLU 135 N -0.12 0.14 -0.95 0.20 5.08 0.30 0.38 114.58 119.61 1tsi h GLU 135 Ca 0.17 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1tsi h GLU 135 Cb 0.38 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1tsi h GLU 135 CO -0.42 0.09 0.10 -1.13 -1.00 0.00 0.00 179.01 176.65 1tsi n SER 136 N -5.25 2.81 -4.11 1.42 3.41 -0.37 -4.88 113.62 106.65 1tsi n SER 136 Ca 0.08 -2.37 -0.34 0.00 -0.26 0.00 0.00 58.87 55.99 1tsi n SER 136 Cb 0.34 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 1tsi n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tsi n GLY 137 N 0.10 -0.37 0.75 5.00 0.00 0.13 -4.85 105.19 105.96 1tsi n GLY 137 Ca 0.13 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.43 1tsi n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tsi n ARG 138 N -4.43 2.90 -0.25 1.61 1.74 -0.69 -4.79 116.66 112.75 1tsi n ARG 138 Ca -0.22 -2.21 -0.09 0.00 -0.77 0.00 0.00 57.85 54.56 1tsi n ARG 138 Cb 0.58 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 1tsi n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1tsi h THR 139 N 2.25 0.05 0.00 0.55 2.02 -1.83 -0.00 112.91 115.95 1tsi h THR 139 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1tsi h THR 139 Cb 0.85 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1tsi h THR 139 CO 0.03 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.64 1tsi h ALA 140 N 0.61 1.45 0.07 6.16 0.00 -1.98 1.40 119.26 126.98 1tsi h ALA 140 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tsi h ALA 140 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1tsi h ALA 140 CO -0.75 0.36 -0.03 -0.39 0.00 0.00 0.00 179.25 178.43 1tsi h VAL 141 N 0.00 1.23 0.00 0.00 -1.51 -1.74 -2.78 116.25 111.45 1tsi h VAL 141 Ca -0.00 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1tsi h VAL 141 Cb 0.53 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1tsi h VAL 141 CO 0.04 0.33 0.00 0.52 -1.23 0.00 0.00 177.57 177.23 1tsi n VAL 142 N -4.82 0.00 -0.35 7.19 0.31 -0.08 0.62 118.33 121.20 1tsi n VAL 142 Ca -0.08 1.29 0.04 0.00 -0.01 0.00 0.00 64.34 65.58 1tsi n VAL 142 Cb 0.30 -2.09 0.11 0.00 -0.91 0.00 0.00 33.84 31.25 1tsi n VAL 142 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1tsi n VAL 143 N -1.71 -0.43 -0.01 2.52 0.24 0.48 -1.28 118.33 118.14 1tsi n VAL 143 Ca 0.00 2.18 -0.12 0.00 -2.04 0.00 0.00 64.34 64.36 1tsi n VAL 143 Cb 0.00 -2.98 -0.07 0.00 -1.47 0.00 0.00 33.84 29.32 1tsi n VAL 143 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1tsi h LEU 144 N 0.00 0.11 -0.12 1.34 3.38 -1.38 -2.22 115.31 116.43 1tsi h LEU 144 Ca 0.42 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1tsi h LEU 144 Cb 0.66 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1tsi h LEU 144 CO -0.96 0.36 -0.15 0.74 0.09 0.00 0.00 178.44 178.51 1tsi h THR 145 N -0.15 0.60 -0.23 0.22 2.02 0.11 -0.75 112.91 114.72 1tsi h THR 145 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1tsi h THR 145 Cb 0.30 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1tsi h THR 145 CO 0.00 0.00 -0.14 1.56 0.37 0.00 0.00 175.52 177.31 1tsi h GLN 146 N -0.20 -0.12 -0.42 6.66 4.20 -1.08 -1.75 115.11 122.41 1tsi h GLN 146 Ca 0.09 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1tsi h GLN 146 Cb 0.32 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1tsi h GLN 146 CO -0.23 -0.08 0.25 0.97 -0.67 0.00 0.00 178.83 179.07 1tsi h ILE 147 N -0.13 1.06 0.00 2.54 -0.00 -0.93 -1.89 117.51 118.16 1tsi h ILE 147 Ca 0.13 -0.18 -0.03 0.00 -0.00 0.00 0.00 64.86 64.78 1tsi h ILE 147 Cb 0.32 0.50 -0.00 0.00 -0.00 0.00 0.00 36.82 37.64 1tsi h ILE 147 CO -0.31 0.09 -0.15 0.00 -0.00 0.00 0.00 178.15 177.79 1tsi h ALA 148 N 1.18 1.62 -1.00 0.18 0.00 -0.95 -0.82 119.26 119.47 1tsi h ALA 148 Ca 0.16 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1tsi h ALA 148 Cb -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1tsi h ALA 148 CO -0.06 0.19 0.64 0.00 0.00 0.00 0.00 179.25 180.02 1tsi h ALA 149 N 1.85 1.44 -0.13 0.00 0.00 -0.47 -1.40 119.26 120.54 1tsi h ALA 149 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1tsi h ALA 149 Cb 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1tsi h ALA 149 CO 0.02 0.39 -0.28 0.82 0.00 0.00 0.00 179.25 180.20 1tsi h ILE 150 N 1.13 1.37 0.04 0.00 2.04 -1.18 -3.35 117.51 117.56 1tsi h ILE 150 Ca 0.45 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1tsi h ILE 150 Cb 0.25 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1tsi h ILE 150 CO -0.19 0.46 -0.38 0.00 0.00 0.00 0.00 178.15 178.04 1tsi h ALA 151 N 0.53 -0.61 -0.67 1.87 0.00 -0.29 -2.90 119.26 117.20 1tsi h ALA 151 Ca 0.00 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.12 1tsi h ALA 151 Cb 0.87 0.65 -0.12 0.00 0.00 0.00 0.00 17.79 19.19 1tsi h ALA 151 CO 0.06 -0.91 0.24 1.63 0.00 0.00 0.00 179.25 180.27 1tsi n LYS 152 N -5.44 -0.04 0.18 0.00 5.02 -0.62 0.93 118.16 118.19 1tsi n LYS 152 Ca -0.06 0.95 0.12 0.00 -2.02 0.00 0.00 58.31 57.30 1tsi n LYS 152 Cb 0.36 -1.64 0.13 0.00 -0.02 0.00 0.00 35.03 33.86 1tsi n LYS 152 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1tsi h LYS 153 N 0.00 0.00 -6.75 1.97 1.57 -1.69 -3.47 116.57 108.19 1tsi h LYS 153 Ca 0.51 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.81 1tsi h LYS 153 Cb 1.28 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.61 1tsi h LYS 153 CO -0.55 0.00 -0.02 -0.51 -0.57 0.00 0.00 179.45 177.80 1tsi s LEU 154 N -5.85 3.80 0.38 2.94 1.02 0.27 -4.95 118.68 116.28 1tsi s LEU 154 Ca 0.05 0.73 0.08 0.00 0.02 0.00 0.00 54.13 55.00 1tsi s LEU 154 Cb 0.07 -3.65 -0.02 0.00 0.02 0.00 0.00 46.19 42.61 1tsi s LEU 154 CO 0.71 -0.45 0.37 -0.54 0.02 0.00 0.00 176.35 176.45 1tsi s LYS 155 N -4.53 2.69 0.57 1.70 -0.14 -1.26 -5.01 119.74 113.76 1tsi s LYS 155 Ca 0.44 -1.37 0.35 0.00 -1.36 0.00 0.00 55.97 54.04 1tsi s LYS 155 Cb -0.10 -2.49 1.65 0.00 -1.68 0.00 0.00 37.83 35.21 1tsi s LYS 155 CO 0.41 -0.06 2.10 -0.22 -0.76 0.00 0.00 175.35 176.81 1tsi h LYS 156 N 1.07 0.00 0.00 1.68 3.11 -2.00 -2.13 116.57 118.30 1tsi h LYS 156 Ca -0.43 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.25 1tsi h LYS 156 Cb 1.26 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.47 1tsi h LYS 156 CO 0.56 0.04 -0.75 0.00 -2.81 0.00 0.00 179.45 176.50 1tsi h ALA 157 N 1.96 0.56 -0.51 5.00 0.00 -2.05 -3.32 119.26 120.90 1tsi h ALA 157 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1tsi h ALA 157 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1tsi h ALA 157 CO 0.01 0.93 0.22 -0.44 0.00 0.00 0.00 179.25 179.97 1tsi h ASP 158 N 0.00 0.65 -0.25 0.00 3.32 -1.77 -3.18 116.42 115.19 1tsi h ASP 158 Ca -0.01 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.05 1tsi h ASP 158 Cb 1.52 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 1tsi h ASP 158 CO 0.10 0.57 0.37 -0.50 -1.72 0.00 0.00 179.24 178.06 1tsi h TRP 159 N 0.71 0.00 0.00 4.55 4.06 -1.66 -1.69 115.95 121.93 1tsi h TRP 159 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1tsi h TRP 159 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1tsi h TRP 159 CO 0.01 0.00 0.02 0.00 -3.56 0.00 0.00 178.44 174.91 1tsi h ALA 160 N 1.50 1.01 0.00 1.49 0.00 -1.81 -1.13 119.26 120.31 1tsi h ALA 160 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tsi h ALA 160 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1tsi h ALA 160 CO -0.00 -0.01 -1.35 1.63 0.00 0.00 0.00 179.25 179.52 1tsi n LYS 161 N -2.42 1.04 -3.36 0.00 4.76 -0.64 -5.02 118.16 112.52 1tsi n LYS 161 Ca -0.02 -0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 54.95 1tsi n LYS 161 Cb 0.06 -1.31 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 1tsi n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1tsi s VAL 162 N -2.83 5.18 -0.18 -0.18 1.01 -0.43 -2.03 120.40 120.94 1tsi s VAL 162 Ca -0.02 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 1tsi s VAL 162 Cb 0.10 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1tsi s VAL 162 CO 0.63 0.24 -0.10 -0.69 0.00 0.00 0.00 175.10 175.17 1tsi s VAL 163 N 1.37 3.04 -0.05 2.92 1.01 -0.05 -4.67 120.40 123.96 1tsi s VAL 163 Ca 0.20 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1tsi s VAL 163 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1tsi s VAL 163 CO 0.08 0.48 0.11 -0.63 0.00 0.00 0.00 175.10 175.15 1tsi s ILE 164 N 1.00 5.08 -0.15 2.22 1.09 -1.16 0.70 121.20 129.97 1tsi s ILE 164 Ca -0.01 -0.14 -0.00 0.00 -1.10 0.00 0.00 60.65 59.40 1tsi s ILE 164 Cb -0.15 -3.28 0.04 0.00 -1.06 0.00 0.00 42.46 38.01 1tsi s ILE 164 CO -0.01 0.46 -0.06 0.00 -0.10 0.00 0.00 174.94 175.23 1tsi s ALA 165 N -1.13 1.43 -0.55 9.38 0.00 0.25 -2.10 121.76 129.04 1tsi s ALA 165 Ca 0.20 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 1tsi s ALA 165 Cb -0.12 -1.05 0.08 0.00 0.00 0.00 0.00 23.12 22.03 1tsi s ALA 165 CO 0.10 -0.65 0.66 -0.47 0.00 0.00 0.00 175.76 175.40 1tsi s TYR 166 N 1.66 3.03 -0.70 0.00 6.14 -0.75 -1.64 117.35 125.08 1tsi s TYR 166 Ca 0.02 -0.75 -0.27 0.00 0.64 0.00 0.00 57.07 56.72 1tsi s TYR 166 Cb -0.14 -3.75 0.03 0.00 0.42 0.00 0.00 41.96 38.52 1tsi s TYR 166 CO -0.08 -1.15 1.22 -1.21 0.64 0.00 0.00 175.55 174.97 1tsi s GLU 167 N 2.63 3.24 -1.30 4.97 2.02 0.19 -0.09 118.70 130.37 1tsi s GLU 167 Ca 0.13 -0.23 -0.16 0.00 0.02 0.00 0.00 54.97 54.72 1tsi s GLU 167 Cb -0.22 -4.16 0.09 0.00 0.10 0.00 0.00 34.13 29.95 1tsi s GLU 167 CO 0.09 -2.02 1.74 -0.35 0.02 0.00 0.00 175.26 174.74 1tsi n PRO 168 N 8.98 3.21 -0.21 0.39 -0.04 -1.26 -3.81 135.00 142.26 1tsi n PRO 168 Ca 0.03 -3.33 0.28 0.00 -0.04 0.00 0.00 63.50 60.44 1tsi n PRO 168 Cb 0.49 -3.36 0.69 0.00 -0.04 0.00 0.00 33.50 31.27 1tsi n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tsi h VAL 169 N 5.14 0.55 0.00 0.52 2.07 -1.83 -1.62 116.25 121.08 1tsi h VAL 169 Ca 0.44 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.93 1tsi h VAL 169 Cb 0.83 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1tsi h VAL 169 CO 1.47 0.01 0.11 4.11 0.02 0.00 0.00 177.57 183.29 1tsi h TRP 170 N 0.07 0.00 0.00 1.57 5.08 -1.55 -0.21 115.95 120.91 1tsi h TRP 170 Ca 0.46 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.27 1tsi h TRP 170 Cb 1.69 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.82 1tsi h TRP 170 CO -0.00 0.00 -1.69 0.00 -1.28 0.00 0.00 178.44 175.47 1tsi n ALA 171 N -1.77 1.85 -1.85 0.11 0.00 -0.62 -4.63 120.51 113.61 1tsi n ALA 171 Ca -0.02 -0.62 -0.34 0.00 0.00 0.00 0.00 53.44 52.46 1tsi n ALA 171 Cb 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 1tsi n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1tsi s ILE 172 N -2.34 3.22 -0.40 0.00 -1.09 -0.09 -3.04 121.20 117.47 1tsi s ILE 172 Ca -0.05 0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.42 1tsi s ILE 172 Cb 0.04 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1tsi s ILE 172 CO 0.44 -0.55 0.34 0.61 -1.23 0.00 0.00 174.94 174.54 1tsi n GLY 173 N 6.02 0.18 0.40 6.18 0.00 -1.26 -4.96 105.19 111.75 1tsi n GLY 173 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1tsi n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tsi n THR 174 N -2.08 0.00 -3.11 2.61 -2.24 -1.17 -4.97 114.28 103.32 1tsi n THR 174 Ca -0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 1tsi n THR 174 Cb 0.55 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1tsi n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tsi n GLY 175 N 0.00 -0.49 3.17 3.38 0.00 -1.26 -4.94 105.19 105.05 1tsi n GLY 175 Ca 0.00 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1tsi n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tsi s LYS 176 N -5.75 3.03 -0.40 1.61 -0.14 -1.26 -5.12 119.74 111.71 1tsi s LYS 176 Ca 0.30 -0.85 -0.12 0.00 -1.36 0.00 0.00 55.97 53.94 1tsi s LYS 176 Cb -0.15 -2.44 0.04 0.00 -1.68 0.00 0.00 37.83 33.60 1tsi s LYS 176 CO 0.37 -0.01 0.25 0.08 -0.76 0.00 0.00 175.35 175.27 1tsi s VAL 177 N 0.80 4.65 0.22 3.17 1.01 -1.26 -4.50 120.40 124.49 1tsi s VAL 177 Ca -0.07 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1tsi s VAL 177 Cb -0.16 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1tsi s VAL 177 CO -0.02 -0.34 1.27 0.00 0.00 0.00 0.00 175.10 176.01 1tsi s ALA 178 N 1.55 3.49 0.47 5.51 0.00 -1.26 -5.02 121.76 126.50 1tsi s ALA 178 Ca 0.03 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.14 1tsi s ALA 178 Cb -0.20 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1tsi s ALA 178 CO 0.06 -0.48 0.59 0.95 0.00 0.00 0.00 175.76 176.87 1tsi s THR 179 N -0.17 2.65 0.31 0.00 -4.23 -1.26 -4.96 115.64 107.98 1tsi s THR 179 Ca 0.54 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1tsi s THR 179 Cb -0.36 -2.73 0.24 0.00 1.34 0.00 0.00 72.50 70.99 1tsi s THR 179 CO 0.40 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 175.78 1tsi h PRO 180 N 0.59 0.97 -0.47 3.99 0.11 -1.95 -1.27 132.00 133.97 1tsi h PRO 180 Ca -0.37 -0.08 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1tsi h PRO 180 Cb 1.28 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1tsi h PRO 180 CO 0.47 0.68 0.27 0.37 -0.21 0.00 0.00 178.00 179.57 1tsi h GLN 181 N 0.98 0.51 0.00 1.05 4.15 -1.97 -0.35 115.11 119.49 1tsi h GLN 181 Ca 0.26 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 1tsi h GLN 181 Cb -0.04 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 1tsi h GLN 181 CO -0.05 0.34 -0.21 1.96 -1.93 0.00 0.00 178.83 178.94 1tsi h GLN 182 N 0.53 0.00 0.13 1.69 4.20 -1.64 -1.26 115.11 118.76 1tsi h GLN 182 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1tsi h GLN 182 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1tsi h GLN 182 CO -0.10 0.21 -0.06 0.00 -0.67 0.00 0.00 178.83 178.20 1tsi h ALA 183 N 1.79 -0.18 -0.23 3.87 0.00 -0.75 -3.21 119.26 120.55 1tsi h ALA 183 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1tsi h ALA 183 Cb 0.58 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1tsi h ALA 183 CO 0.03 -0.21 -0.21 0.37 0.00 0.00 0.00 179.25 179.22 1tsi h GLN 184 N -0.95 -0.21 -0.99 0.00 5.75 -1.07 0.42 115.11 118.06 1tsi h GLN 184 Ca -0.02 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 58.68 1tsi h GLN 184 Cb 0.47 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 28.97 1tsi h GLN 184 CO 0.03 -0.14 0.61 0.93 -2.65 0.00 0.00 178.83 177.61 1tsi h GLU 185 N -0.22 0.73 -0.06 1.69 5.08 -1.35 0.20 114.58 120.66 1tsi h GLU 185 Ca 0.13 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1tsi h GLU 185 Cb 0.42 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1tsi h GLU 185 CO -0.36 0.49 -0.55 0.00 -1.00 0.00 0.00 179.01 177.58 1tsi h ALA 186 N 1.63 0.14 -0.58 3.43 0.00 -1.06 -2.59 119.26 120.22 1tsi h ALA 186 Ca 0.56 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1tsi h ALA 186 Cb 0.88 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1tsi h ALA 186 CO -0.34 0.37 0.05 0.45 0.00 0.00 0.00 179.25 179.77 1tsi h HIS 187 N 0.02 1.03 -0.58 0.00 3.86 0.17 -2.85 115.15 116.81 1tsi h HIS 187 Ca -0.05 -0.15 0.12 0.00 -1.16 0.00 0.00 60.37 59.13 1tsi h HIS 187 Cb 1.22 -0.28 -0.10 0.00 1.06 0.00 0.00 27.41 29.31 1tsi h HIS 187 CO 0.13 0.90 -0.03 0.00 0.86 0.00 0.00 177.93 179.79 1tsi h ALA 188 N 1.14 0.52 0.24 2.45 0.00 -0.61 -1.94 119.26 121.06 1tsi h ALA 188 Ca 0.17 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1tsi h ALA 188 Cb 0.46 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1tsi h ALA 188 CO 0.02 -0.40 -0.35 1.25 0.00 0.00 0.00 179.25 179.76 1tsi h LEU 189 N 0.09 -1.00 -0.97 0.00 6.46 -1.24 -1.42 115.31 117.22 1tsi h LEU 189 Ca 0.29 0.09 0.12 0.00 -0.12 0.00 0.00 57.88 58.27 1tsi h LEU 189 Cb 0.47 0.35 -0.14 0.00 -0.73 0.00 0.00 40.66 40.60 1tsi h LEU 189 CO -0.52 -0.42 -0.48 0.40 -0.62 0.00 0.00 178.44 176.80 1tsi h ILE 190 N -0.62 0.00 -0.56 4.05 2.04 -1.21 0.65 117.51 121.87 1tsi h ILE 190 Ca -0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1tsi h ILE 190 Cb 0.56 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1tsi h ILE 190 CO -0.11 0.00 0.38 -0.09 0.00 0.00 0.00 178.15 178.34 1tsi h ARG 191 N -0.01 0.33 -0.16 2.37 9.65 -1.18 0.38 114.38 125.75 1tsi h ARG 191 Ca 0.25 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 1tsi h ARG 191 Cb 0.51 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1tsi h ARG 191 CO -0.95 0.22 0.00 0.77 2.80 0.00 0.00 179.97 182.81 1tsi h SER 192 N 0.34 0.28 0.43 -3.80 0.02 0.13 0.14 113.55 111.08 1tsi h SER 192 Ca 0.26 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1tsi h SER 192 Cb 0.58 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1tsi h SER 192 CO -0.06 0.51 -0.04 -0.25 -1.14 0.00 0.00 176.83 175.84 1tsi h TRP 193 N 0.03 0.00 0.00 3.45 7.01 0.17 -2.61 115.95 124.00 1tsi h TRP 193 Ca 0.05 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1tsi h TRP 193 Cb 0.36 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1tsi h TRP 193 CO 0.03 0.04 -0.06 0.28 -2.79 0.00 0.00 178.44 175.94 1tsi h VAL 194 N 0.00 0.04 -0.97 2.65 2.07 -0.56 -2.63 116.25 116.85 1tsi h VAL 194 Ca -0.00 -1.03 0.24 0.00 0.82 0.00 0.00 66.70 66.73 1tsi h VAL 194 Cb 0.27 0.07 -0.18 0.00 -1.52 0.00 0.00 31.29 29.92 1tsi h VAL 194 CO 0.01 0.01 -0.06 -1.28 0.02 0.00 0.00 177.57 176.27 1tsi h SER 195 N -1.00 -0.61 0.19 0.57 0.87 -0.95 0.24 113.55 112.86 1tsi h SER 195 Ca -0.00 0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1tsi h SER 195 Cb 0.08 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1tsi h SER 195 CO -0.00 -0.34 -0.09 0.28 -0.53 0.00 0.00 176.83 176.15 1tsi h SER 196 N 0.01 -0.21 -0.36 6.23 0.02 -1.63 -3.06 113.55 114.55 1tsi h SER 196 Ca 0.55 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.48 1tsi h SER 196 Cb 1.04 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1tsi h SER 196 CO -0.94 0.05 0.16 0.11 -1.14 0.00 0.00 176.83 175.07 1tsi h LYS 197 N -0.66 0.58 0.00 3.45 6.56 -1.04 -3.40 116.57 122.07 1tsi h LYS 197 Ca -0.03 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1tsi h LYS 197 Cb 0.19 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1tsi h LYS 197 CO 0.04 0.49 0.00 -0.89 -2.06 0.00 0.00 179.45 177.03 1tsi n ILE 198 N -4.37 0.00 -3.60 1.86 5.41 0.81 -5.07 119.36 114.40 1tsi n ILE 198 Ca 0.03 0.24 -0.05 0.00 1.00 0.00 0.00 62.75 63.97 1tsi n ILE 198 Cb 0.15 -1.21 -0.02 0.00 -0.71 0.00 0.00 39.64 37.85 1tsi n ILE 198 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1tsi s GLY 199 N -2.81 -0.37 0.00 7.39 0.00 -1.01 -4.98 107.32 105.54 1tsi s GLY 199 Ca 0.00 0.94 0.27 0.00 0.00 0.00 0.00 44.72 45.93 1tsi s GLY 199 CO 0.00 0.29 1.60 0.00 0.00 0.00 0.00 173.10 174.99 1tsi n ALA 200 N -0.29 3.13 -0.07 3.20 0.00 -1.16 -2.54 120.51 122.78 1tsi n ALA 200 Ca -0.06 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1tsi n ALA 200 Cb 0.61 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1tsi n ALA 200 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1tsi h ASP 201 N 0.33 0.00 0.06 0.00 2.03 -1.94 -3.04 116.42 113.87 1tsi h ASP 201 Ca 0.00 -0.52 0.03 0.00 -0.73 0.00 0.00 57.03 55.81 1tsi h ASP 201 Cb 0.48 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.93 1tsi h ASP 201 CO 0.00 0.94 -0.39 0.58 -1.03 0.00 0.00 179.24 179.34 1tsi h VAL 202 N -1.00 0.20 -0.56 4.15 2.07 -1.94 -2.20 116.25 116.96 1tsi h VAL 202 Ca -0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1tsi h VAL 202 Cb 0.74 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 1tsi h VAL 202 CO -0.04 0.00 -0.28 -0.09 0.02 0.00 0.00 177.57 177.18 1tsi h ARG 203 N -0.59 -0.13 -0.36 1.57 2.43 -1.65 0.94 114.38 116.60 1tsi h ARG 203 Ca 0.04 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1tsi h ARG 203 Cb 0.64 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1tsi h ARG 203 CO -0.26 -0.08 0.02 0.78 -1.51 0.00 0.00 179.97 178.92 1tsi h GLY 204 N -0.13 0.58 2.00 2.80 0.00 -1.39 -2.39 103.07 104.55 1tsi h GLY 204 Ca 0.24 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1tsi h GLY 204 CO -0.64 0.32 -0.26 0.83 0.00 0.00 0.00 176.54 176.78 1tsi h GLU 205 N 0.53 0.00 -6.74 4.80 4.39 -0.56 -3.42 114.58 113.57 1tsi h GLU 205 Ca 0.12 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.28 1tsi h GLU 205 Cb 0.31 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.04 1tsi h GLU 205 CO 0.01 0.26 0.86 -0.11 -1.16 0.00 0.00 179.01 178.87 1tsi n LEU 206 N -3.18 4.12 -4.58 1.33 7.94 0.19 -4.84 117.00 117.99 1tsi n LEU 206 Ca 0.03 1.13 -0.36 0.00 -1.11 0.00 0.00 56.01 55.70 1tsi n LEU 206 Cb 0.62 -1.57 -0.11 0.00 0.53 0.00 0.00 43.42 42.90 1tsi n LEU 206 CO 0.37 0.06 -0.23 -0.13 -1.11 0.00 0.00 177.39 176.35 1tsi s ARG 207 N -0.25 3.91 -0.28 1.96 0.52 -1.26 -4.87 118.95 118.68 1tsi s ARG 207 Ca 0.66 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.54 1tsi s ARG 207 Cb -0.52 -3.38 0.07 0.00 0.52 0.00 0.00 34.95 31.64 1tsi s ARG 207 CO 0.46 0.04 -0.04 0.42 0.02 0.00 0.00 175.30 176.20 1tsi s ILE 208 N 1.06 1.96 0.61 1.52 1.01 -1.26 -3.01 121.20 123.08 1tsi s ILE 208 Ca 0.05 -1.72 -0.14 0.00 0.00 0.00 0.00 60.65 58.84 1tsi s ILE 208 Cb -0.14 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1tsi s ILE 208 CO 0.04 -0.25 1.05 -0.76 0.00 0.00 0.00 174.94 175.01 1tsi s LEU 209 N 1.15 3.41 -0.20 2.97 1.43 -0.89 -0.16 118.68 126.38 1tsi s LEU 209 Ca -0.01 1.70 -0.18 0.00 -1.03 0.00 0.00 54.13 54.61 1tsi s LEU 209 Cb -0.19 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 1tsi s LEU 209 CO -0.07 -1.13 0.50 -0.47 0.23 0.00 0.00 176.35 175.41 1tsi s TYR 210 N -2.67 3.37 -0.18 0.29 6.14 0.54 -1.82 117.35 123.02 1tsi s TYR 210 Ca 0.61 0.75 0.22 0.00 0.64 0.00 0.00 57.07 59.28 1tsi s TYR 210 Cb -0.14 -2.66 -0.09 0.00 0.42 0.00 0.00 41.96 39.49 1tsi s TYR 210 CO 0.42 -0.10 0.88 0.41 0.64 0.00 0.00 175.55 177.80 1tsi n GLY 211 N 3.92 -1.33 0.00 8.97 0.00 0.88 -1.49 105.19 116.13 1tsi n GLY 211 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1tsi n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsi n GLY 212 N 1.23 -3.19 3.65 -0.02 0.00 -1.26 -4.72 105.19 100.87 1tsi n GLY 212 Ca -0.02 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1tsi n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tsi s SER 213 N -2.07 6.85 -0.01 1.61 0.15 -1.26 -4.81 113.70 114.17 1tsi s SER 213 Ca 0.00 1.51 0.05 0.00 0.70 0.00 0.00 55.95 58.21 1tsi s SER 213 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1tsi s SER 213 CO 0.00 -0.87 -0.16 -0.69 1.20 0.00 0.00 173.24 172.72 1tsi s VAL 214 N 3.81 2.96 -0.08 4.45 1.01 -1.26 -5.04 120.40 126.25 1tsi s VAL 214 Ca 0.55 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1tsi s VAL 214 Cb -0.20 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.06 1tsi s VAL 214 CO 0.17 0.48 0.70 0.54 0.00 0.00 0.00 175.10 176.99 1tsi s ASN 215 N -1.06 -0.65 0.03 3.32 2.20 -1.26 -4.45 114.94 113.08 1tsi s ASN 215 Ca 0.13 0.78 -0.05 0.00 -0.94 0.00 0.00 52.86 52.78 1tsi s ASN 215 Cb -0.11 0.62 0.01 0.00 -2.00 0.00 0.00 41.25 39.78 1tsi s ASN 215 CO 0.03 -0.56 0.28 0.61 -2.94 0.00 0.00 177.10 174.52 1tsi n GLY 216 N 1.09 -0.43 0.51 0.45 0.00 -1.26 -2.02 105.19 103.53 1tsi n GLY 216 Ca -0.18 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1tsi n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tsi h LYS 217 N 0.00 -1.04 0.00 1.61 1.57 -1.98 -3.10 116.57 113.64 1tsi h LYS 217 Ca 0.04 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1tsi h LYS 217 Cb 0.09 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1tsi h LYS 217 CO -0.17 -0.69 0.00 0.27 -0.57 0.00 0.00 179.45 178.29 1tsi n ASN 218 N -5.59 0.00 -0.03 0.86 6.94 -0.86 -4.06 115.26 112.53 1tsi n ASN 218 Ca -0.13 -1.53 -0.14 0.00 -0.02 0.00 0.00 54.58 52.75 1tsi n ASN 218 Cb 0.48 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 1tsi n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tsi h ALA 219 N 3.10 0.05 -0.38 -2.53 0.00 -1.41 -3.32 119.26 114.78 1tsi h ALA 219 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1tsi h ALA 219 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1tsi h ALA 219 CO 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 179.25 178.73 1tsi h ARG 220 N -0.48 -0.34 -0.82 0.00 3.08 -1.76 -2.86 114.38 111.20 1tsi h ARG 220 Ca -0.01 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1tsi h ARG 220 Cb 0.82 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1tsi h ARG 220 CO 0.03 -0.23 0.47 1.79 -1.07 0.00 0.00 179.97 180.96 1tsi h THR 221 N -0.35 1.24 0.10 2.04 1.35 -1.82 -3.14 112.91 112.33 1tsi h THR 221 Ca 0.07 -0.56 -0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1tsi h THR 221 Cb 0.53 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1tsi h THR 221 CO -0.54 0.26 -0.07 -0.07 -0.25 0.00 0.00 175.52 174.85 1tsi h LEU 222 N 1.14 -0.18 -1.94 3.87 3.38 -1.60 -3.18 115.31 116.80 1tsi h LEU 222 Ca 0.29 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.36 1tsi h LEU 222 Cb -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1tsi h LEU 222 CO -0.05 -0.10 0.43 0.22 0.09 0.00 0.00 178.44 179.03 1tsi h TYR 223 N -0.16 0.00 0.00 1.13 3.20 -1.60 0.49 116.97 120.03 1tsi h TYR 223 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1tsi h TYR 223 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1tsi h TYR 223 CO 0.05 0.00 0.00 1.04 -1.64 0.00 0.00 178.16 177.61 1tsi n GLN 224 N -3.47 0.10 -2.61 1.82 6.02 -1.19 -4.61 117.38 113.44 1tsi n GLN 224 Ca 0.05 0.43 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 1tsi n GLN 224 Cb 0.57 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 30.07 1tsi n GLN 224 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1tsi s GLN 225 N -3.22 4.60 0.44 -1.09 -1.52 0.17 -4.87 119.66 114.16 1tsi s GLN 225 Ca 0.03 1.57 0.17 0.00 -1.95 0.00 0.00 55.36 55.18 1tsi s GLN 225 Cb 0.07 -3.36 0.94 0.00 -0.22 0.00 0.00 33.01 30.44 1tsi s GLN 225 CO 0.25 0.04 1.46 -0.09 -0.25 0.00 0.00 175.29 176.70 1tsi h ARG 226 N 5.91 0.00 0.00 2.91 2.43 -1.87 -2.24 114.38 121.52 1tsi h ARG 226 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1tsi h ARG 226 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1tsi h ARG 226 CO 0.74 0.00 -0.47 -0.25 -1.51 0.00 0.00 179.97 178.48 1tsi n ASP 227 N -2.31 0.57 -4.61 -3.80 8.00 -1.26 -4.94 116.55 108.20 1tsi n ASP 227 Ca -0.01 -0.66 -0.42 0.00 0.71 0.00 0.00 54.79 54.41 1tsi n ASP 227 Cb 0.37 1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.46 1tsi n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tsi s VAL 228 N -1.86 4.65 -2.03 2.53 1.01 -0.84 -4.49 120.40 119.37 1tsi s VAL 228 Ca 0.03 1.23 0.23 0.00 0.00 0.00 0.00 61.98 63.47 1tsi s VAL 228 Cb 0.06 -4.28 0.63 0.00 0.00 0.00 0.00 36.38 32.80 1tsi s VAL 228 CO 0.35 -0.43 1.53 0.59 0.00 0.00 0.00 175.10 177.14 1tsi n ASN 229 N 6.57 3.89 0.00 3.32 5.03 0.77 -4.74 115.26 130.10 1tsi n ASN 229 Ca 0.06 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.51 1tsi n ASN 229 Cb 0.48 -0.48 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1tsi n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tsi n GLY 230 N 1.66 0.27 3.16 7.41 0.00 -1.26 -2.06 105.19 114.37 1tsi n GLY 230 Ca 0.24 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 1tsi n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tsi s PHE 231 N -3.01 1.21 -0.53 1.61 0.08 0.22 -0.34 117.98 117.21 1tsi s PHE 231 Ca 0.00 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 1tsi s PHE 231 Cb 0.00 -0.69 0.14 0.00 -0.57 0.00 0.00 43.02 41.90 1tsi s PHE 231 CO 0.00 0.05 0.33 -1.17 -0.10 0.00 0.00 175.22 174.33 1tsi s LEU 232 N -1.60 5.11 -0.03 -0.37 2.96 -0.56 -1.01 118.68 123.19 1tsi s LEU 232 Ca -0.01 -2.58 -0.17 0.00 -0.22 0.00 0.00 54.13 51.15 1tsi s LEU 232 Cb -0.09 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1tsi s LEU 232 CO 0.02 -0.41 0.46 -0.69 -1.32 0.00 0.00 176.35 174.41 1tsi s VAL 233 N 0.33 5.03 0.00 1.68 1.01 0.03 -4.56 120.40 123.92 1tsi s VAL 233 Ca 0.14 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1tsi s VAL 233 Cb -0.22 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1tsi s VAL 233 CO -0.03 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1tsi n GLY 234 N 2.28 0.47 0.32 4.51 0.00 -1.26 0.43 105.19 111.95 1tsi n GLY 234 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1tsi n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsi n GLY 235 N 5.00 -2.27 0.16 -0.02 0.00 -1.26 0.03 105.19 106.83 1tsi n GLY 235 Ca 0.00 0.96 0.09 0.00 0.00 0.00 0.00 46.02 47.08 1tsi n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsi n ALA 236 N -3.31 0.91 0.30 4.61 0.00 -1.26 -0.46 120.51 121.30 1tsi n ALA 236 Ca 0.02 0.17 0.15 0.00 0.00 0.00 0.00 53.44 53.77 1tsi n ALA 236 Cb 0.20 -1.14 0.68 0.00 0.00 0.00 0.00 19.45 19.19 1tsi n ALA 236 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1tsi h SER 237 N 0.00 0.00 0.85 0.00 4.64 -0.67 -2.20 113.55 116.17 1tsi h SER 237 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1tsi h SER 237 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1tsi h SER 237 CO 0.00 0.00 -1.25 -0.07 -0.87 0.00 0.00 176.83 174.64 1tsi h LEU 238 N 0.00 0.00 0.00 5.97 3.38 -0.91 -3.47 115.31 120.28 1tsi h LEU 238 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1tsi h LEU 238 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1tsi h LEU 238 CO 0.00 0.63 -0.08 0.29 0.09 0.00 0.00 178.44 179.37 1tsi n LYS 239 N -3.00 0.81 0.00 1.13 5.02 -0.83 -5.01 118.16 116.28 1tsi n LYS 239 Ca -0.08 -2.07 0.13 0.00 -2.02 0.00 0.00 58.31 54.28 1tsi n LYS 239 Cb 0.85 -0.05 0.49 0.00 -0.02 0.00 0.00 35.03 36.30 1tsi n LYS 239 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1tsi n PRO 240 N -1.68 0.22 0.24 1.97 -0.01 -1.26 -3.66 135.00 130.82 1tsi n PRO 240 Ca 0.07 -0.08 0.17 0.00 -0.01 0.00 0.00 63.50 63.65 1tsi n PRO 240 Cb 0.39 -1.50 0.86 0.00 -0.01 0.00 0.00 33.50 33.24 1tsi n PRO 240 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1tsi h GLU 241 N 0.19 0.00 -0.87 -0.52 5.08 -1.97 -1.33 114.58 115.16 1tsi h GLU 241 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1tsi h GLU 241 Cb 0.46 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1tsi h GLU 241 CO 0.00 0.00 0.56 0.35 -1.00 0.00 0.00 179.01 178.92 1tsi h PHE 242 N 0.00 0.69 -0.07 4.33 3.57 -1.63 0.66 116.94 124.48 1tsi h PHE 242 Ca 0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 1tsi h PHE 242 Cb 0.06 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1tsi h PHE 242 CO 0.00 0.24 -0.51 0.28 -2.23 0.00 0.00 178.31 176.09 1tsi h VAL 243 N 0.57 1.35 -0.04 1.41 2.07 -1.54 -1.50 116.25 118.57 1tsi h VAL 243 Ca 0.44 -1.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.07 1tsi h VAL 243 Cb 0.86 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1tsi h VAL 243 CO -0.19 0.52 -0.56 0.44 0.02 0.00 0.00 177.57 177.80 1tsi h ASP 244 N 0.15 0.14 1.20 0.57 3.32 -0.03 -2.56 116.42 119.21 1tsi h ASP 244 Ca 0.00 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1tsi h ASP 244 Cb 0.95 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1tsi h ASP 244 CO 0.08 0.67 -0.44 0.40 -1.72 0.00 0.00 179.24 178.23 1tsi h ILE 245 N 0.10 0.85 0.07 0.35 2.04 0.14 -3.05 117.51 118.01 1tsi h ILE 245 Ca -0.00 -1.89 -0.00 0.00 1.00 0.00 0.00 64.86 63.97 1tsi h ILE 245 Cb 1.02 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1tsi h ILE 245 CO 0.08 0.43 -0.03 0.40 0.00 0.00 0.00 178.15 179.03 1tsi h ILE 246 N 0.00 1.19 0.00 -0.67 2.04 -0.94 -3.12 117.51 116.01 1tsi h ILE 246 Ca -0.00 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1tsi h ILE 246 Cb 1.16 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1tsi h ILE 246 CO 0.06 0.24 0.00 0.29 0.00 0.00 0.00 178.15 178.73 1tsi n LYS 247 N -4.93 0.11 0.00 2.37 5.02 -1.00 -1.22 118.16 118.52 1tsi n LYS 247 Ca -0.08 0.53 0.14 0.00 -2.02 0.00 0.00 58.31 56.88 1tsi n LYS 247 Cb 0.24 -1.82 0.79 0.00 -0.02 0.00 0.00 35.03 34.22 1tsi n LYS 247 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tsi n ALA 248 N -1.70 2.49 0.93 7.82 0.00 -1.16 -3.43 120.51 125.46 1tsi n ALA 248 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1tsi n ALA 248 Cb 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1tsi n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tsi n THR 249 N -1.14 0.00 0.00 0.00 -2.24 -0.36 -4.62 114.28 105.91 1tsi n THR 249 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1tsi n THR 249 Cb 0.16 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1tsi n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50