#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kts s GLU 2 N 0.00 4.29 0.15 3.23 2.02 -1.26 -4.95 118.70 122.18 3kts s GLU 2 Ca 0.00 1.96 -0.31 0.00 0.02 0.00 0.00 54.97 56.64 3kts s GLU 2 Cb 0.00 -2.93 -0.10 0.00 0.10 0.00 0.00 34.13 31.20 3kts s GLU 2 CO 0.00 -0.16 1.60 -0.51 0.02 0.00 0.00 175.26 176.22 3kts s LEU 3 N -2.02 4.37 0.07 1.80 1.43 -1.26 -4.89 118.68 118.18 3kts s LEU 3 Ca 0.51 2.61 0.01 0.00 -1.03 0.00 0.00 54.13 56.23 3kts s LEU 3 Cb -0.34 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.48 3kts s LEU 3 CO 0.44 -0.85 0.37 -2.65 0.23 0.00 0.00 176.35 173.89 3kts n PRO 4 N 4.34 -0.02 -1.73 1.29 -0.02 -1.26 -3.54 135.00 134.07 3kts n PRO 4 Ca 0.14 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3kts n PRO 4 Cb 0.39 -0.56 -0.00 0.00 -0.02 0.00 0.00 33.50 33.30 3kts n PRO 4 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3kts n PHE 5 N -4.05 3.51 0.00 6.00 1.16 -1.26 -4.74 117.46 118.08 3kts n PHE 5 Ca 0.06 -2.98 -0.11 0.00 -1.87 0.00 0.00 57.45 52.55 3kts n PHE 5 Cb 0.19 -2.55 -0.08 0.00 -1.61 0.00 0.00 39.48 35.42 3kts n PHE 5 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 3kts h SER 6 N 5.98 -0.09 -0.33 5.98 0.02 -1.95 -3.35 113.55 119.79 3kts h SER 6 Ca 0.58 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3kts h SER 6 Cb 0.63 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3kts h SER 6 CO 1.89 0.56 0.00 -3.20 -1.14 0.00 0.00 176.83 174.94 3kts n ASN 7 N -4.82 3.29 -4.26 3.07 5.15 -1.26 -4.92 115.26 111.52 3kts n ASN 7 Ca -0.08 -1.98 -0.36 0.00 -0.60 0.00 0.00 54.58 51.57 3kts n ASN 7 Cb 0.29 -0.21 -0.13 0.00 -0.53 0.00 0.00 39.78 39.19 3kts n ASN 7 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3kts s GLN 8 N -1.57 2.89 -0.04 1.20 0.74 -1.26 -4.97 119.66 116.65 3kts s GLN 8 Ca 0.37 -0.97 -0.23 0.00 0.05 0.00 0.00 55.36 54.58 3kts s GLN 8 Cb 0.22 -3.20 -0.23 0.00 1.10 0.00 0.00 33.01 30.90 3kts s GLN 8 CO 0.31 -0.46 1.06 0.77 -0.55 0.00 0.00 175.29 176.42 3kts h SER 9 N 8.12 0.29 -3.57 6.67 0.02 -1.91 -3.44 113.55 119.73 3kts h SER 9 Ca -0.30 -0.76 -0.66 0.00 -0.84 0.00 0.00 61.79 59.23 3kts h SER 9 Cb 1.11 -0.09 -0.25 0.00 0.14 0.00 0.00 62.40 63.31 3kts h SER 9 CO 0.58 1.01 -0.64 -0.63 -1.14 0.00 0.00 176.83 176.01 3kts s ILE 10 N -3.20 3.96 -0.42 3.27 1.09 -1.26 -0.96 121.20 123.68 3kts s ILE 10 Ca -0.15 -0.47 -0.17 0.00 -1.10 0.00 0.00 60.65 58.76 3kts s ILE 10 Cb 0.02 -2.93 0.03 0.00 -1.06 0.00 0.00 42.46 38.51 3kts s ILE 10 CO 0.76 0.24 0.41 -0.63 -0.10 0.00 0.00 174.94 175.62 3kts s ILE 11 N 1.53 5.13 0.32 2.92 1.01 0.12 -4.95 121.20 127.29 3kts s ILE 11 Ca 0.05 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.95 3kts s ILE 11 Cb -0.16 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 3kts s ILE 11 CO 0.02 -0.42 1.12 -2.16 0.00 0.00 0.00 174.94 173.50 3kts s PRO 12 N 2.02 4.44 -0.13 2.79 0.04 -1.26 -1.95 135.00 140.96 3kts s PRO 12 Ca 0.10 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 3kts s PRO 12 Cb -0.18 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3kts s PRO 12 CO 0.12 0.03 -0.09 0.00 0.04 0.00 0.00 177.00 177.10 3kts s ALA 13 N -1.28 2.79 -0.07 8.56 0.00 0.17 -0.43 121.76 131.50 3kts s ALA 13 Ca 0.49 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3kts s ALA 13 Cb -0.31 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3kts s ALA 13 CO 0.39 0.29 -0.07 0.00 0.00 0.00 0.00 175.76 176.37 3kts s ALA 14 N 0.16 2.96 -0.09 0.00 0.00 0.76 -4.32 121.76 121.24 3kts s ALA 14 Ca -0.05 -0.89 0.18 0.00 0.00 0.00 0.00 51.96 51.20 3kts s ALA 14 Cb -0.14 -1.22 -0.27 0.00 0.00 0.00 0.00 23.12 21.48 3kts s ALA 14 CO 0.04 0.56 0.28 0.72 0.00 0.00 0.00 175.76 177.36 3kts n HIS 15 N 2.28 0.00 -3.78 0.00 8.25 -1.26 -2.11 115.22 118.60 3kts n HIS 15 Ca -0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.21 3kts n HIS 15 Cb 0.53 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 3kts n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3kts n ASN 16 N -2.38 -0.72 0.09 0.41 0.23 -1.26 -4.34 115.26 107.29 3kts n ASN 16 Ca -0.14 -1.94 -0.13 0.00 -0.53 0.00 0.00 54.58 51.84 3kts n ASN 16 Cb 0.75 1.33 -0.07 0.00 -2.08 0.00 0.00 39.78 39.70 3kts n ASN 16 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3kts h GLN 17 N 0.00 -0.15 -0.90 -3.83 1.08 -1.97 -2.67 115.11 106.67 3kts h GLN 17 Ca -0.14 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.13 3kts h GLN 17 Cb 0.60 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.00 3kts h GLN 17 CO 0.19 -0.09 0.57 0.87 -0.95 0.00 0.00 178.83 179.42 3kts h LYS 18 N -0.16 1.02 -0.24 1.46 1.57 -2.00 -2.43 116.57 115.79 3kts h LYS 18 Ca -0.02 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3kts h LYS 18 Cb 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3kts h LYS 18 CO 0.03 0.68 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.95 3kts h ASP 19 N 1.05 0.41 1.21 0.86 5.19 -1.95 -2.74 116.42 120.46 3kts h ASP 19 Ca 0.39 -0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.62 3kts h ASP 19 Cb 0.14 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3kts h ASP 19 CO -0.16 0.62 -0.28 0.00 -3.12 0.00 0.00 179.24 176.31 3kts h MET 20 N 0.38 0.00 -0.29 3.56 -0.00 -1.08 -3.16 114.93 114.34 3kts h MET 20 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.68 3kts h MET 20 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.15 3kts h MET 20 CO 0.04 0.28 -0.14 0.93 -0.00 0.00 0.00 176.91 178.02 3kts h GLU 21 N 0.00 0.61 -0.84 -0.10 3.07 -1.19 -1.46 114.58 114.66 3kts h GLU 21 Ca -0.00 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.58 3kts h GLU 21 Cb 0.96 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.81 3kts h GLU 21 CO 0.04 0.84 0.46 0.87 -1.40 0.00 0.00 179.01 179.82 3kts h LYS 22 N 0.36 1.17 0.00 2.33 1.79 -1.51 -2.36 116.57 118.36 3kts h LYS 22 Ca 0.07 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3kts h LYS 22 Cb 0.65 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3kts h LYS 22 CO 0.04 0.86 -0.34 0.44 -1.08 0.00 0.00 179.45 179.37 3kts n ILE 23 N -4.34 0.05 0.25 1.86 -5.35 -1.21 -3.15 119.36 107.47 3kts n ILE 23 Ca 0.09 -0.03 0.15 0.00 -0.27 0.00 0.00 62.75 62.68 3kts n ILE 23 Cb 0.10 -0.04 0.50 0.00 -1.74 0.00 0.00 39.64 38.45 3kts n ILE 23 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3kts h LEU 24 N 0.00 0.00 0.00 7.28 5.85 -0.71 -2.99 115.31 124.74 3kts h LEU 24 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kts h LEU 24 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kts h LEU 24 CO 0.00 0.02 -0.75 -0.33 -0.34 0.00 0.00 178.44 177.04 3kts h GLU 25 N 0.00 0.00 -7.17 1.25 5.08 -1.48 -3.48 114.58 108.78 3kts h GLU 25 Ca -0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 3kts h GLU 25 Cb 0.70 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.97 3kts h GLU 25 CO 0.00 0.00 0.37 -0.51 -1.00 0.00 0.00 179.01 177.87 3kts s LEU 26 N -4.24 3.66 0.35 1.33 1.02 -1.13 -4.99 118.68 114.67 3kts s LEU 26 Ca 0.05 1.66 0.14 0.00 0.02 0.00 0.00 54.13 56.01 3kts s LEU 26 Cb 0.13 -4.52 0.62 0.00 0.02 0.00 0.00 46.19 42.44 3kts s LEU 26 CO 0.75 -0.69 1.74 -0.78 0.02 0.00 0.00 176.35 177.39 3kts h ASP 27 N 1.01 0.00 -4.06 2.29 3.58 -1.93 -3.46 116.42 113.85 3kts h ASP 27 Ca -0.47 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.44 3kts h ASP 27 Cb 1.19 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.36 3kts h ASP 27 CO 0.60 0.45 0.53 -0.76 -2.88 0.00 0.00 179.24 177.18 3kts s LEU 28 N -7.67 3.79 -0.20 2.28 1.43 -1.26 -5.01 118.68 112.04 3kts s LEU 28 Ca -0.02 2.55 -0.19 0.00 -1.03 0.00 0.00 54.13 55.45 3kts s LEU 28 Cb 0.13 -4.41 -0.15 0.00 0.03 0.00 0.00 46.19 41.79 3kts s LEU 28 CO 0.72 -1.51 0.09 1.07 0.23 0.00 0.00 176.35 176.95 3kts n THR 29 N -1.20 1.51 -3.30 5.49 5.66 -1.26 -4.97 114.28 116.21 3kts n THR 29 Ca 0.11 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.79 3kts n THR 29 Cb 0.47 -2.10 -0.06 0.00 -1.55 0.00 0.00 70.33 67.09 3kts n THR 29 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3kts s TYR 30 N -2.35 3.42 0.02 1.09 1.51 -1.26 -1.67 117.35 118.10 3kts s TYR 30 Ca -0.27 1.02 -0.07 0.00 -1.01 0.00 0.00 57.07 56.74 3kts s TYR 30 Cb 0.06 -2.37 -0.00 0.00 -0.11 0.00 0.00 41.96 39.53 3kts s TYR 30 CO 0.51 0.22 0.13 0.00 -1.11 0.00 0.00 175.55 175.30 3kts s MET 31 N -2.81 0.54 -0.18 -0.62 0.23 -0.73 -4.17 119.30 111.56 3kts s MET 31 Ca 0.49 -0.53 -0.06 0.00 -1.03 0.00 0.00 55.69 54.56 3kts s MET 31 Cb -0.11 0.22 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 3kts s MET 31 CO 0.20 -0.13 0.04 0.08 -2.03 0.00 0.00 175.02 173.17 3kts s VAL 32 N -1.87 4.51 -0.20 5.16 1.01 0.43 -0.68 120.40 128.76 3kts s VAL 32 Ca -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3kts s VAL 32 Cb -0.05 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3kts s VAL 32 CO -0.01 0.46 -0.03 -0.32 0.00 0.00 0.00 175.10 175.20 3kts s MET 33 N 0.50 3.50 0.00 2.72 1.75 0.53 -0.17 119.30 128.13 3kts s MET 33 Ca 0.01 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 3kts s MET 33 Cb -0.13 -3.00 0.00 0.00 2.84 0.00 0.00 34.83 34.54 3kts s MET 33 CO 0.01 -0.03 0.00 1.28 -0.65 0.00 0.00 175.02 175.63 3kts n LEU 34 N 4.34 0.00 -4.65 4.11 4.77 -0.90 -0.94 117.00 123.74 3kts n LEU 34 Ca -0.18 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.41 3kts n LEU 34 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3kts n LEU 34 CO 0.30 0.00 0.20 -0.70 -1.33 0.00 0.00 177.39 175.87 3kts s GLU 35 N 0.00 4.15 0.06 3.23 2.12 -1.26 -4.46 118.70 122.54 3kts s GLU 35 Ca 0.00 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.68 3kts s GLU 35 Cb 0.00 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3kts s GLU 35 CO 0.00 -0.18 -0.06 0.95 -0.54 0.00 0.00 175.26 175.43 3kts s THR 36 N 1.73 0.49 -0.09 -1.70 -4.23 -0.98 -4.65 115.64 106.21 3kts s THR 36 Ca 0.22 -1.42 -0.07 0.00 -1.18 0.00 0.00 61.69 59.23 3kts s THR 36 Cb -0.15 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 3kts s THR 36 CO 0.09 -0.64 0.18 -1.00 -0.54 0.00 0.00 174.62 172.72 3kts s HIS 37 N -2.44 3.61 0.45 3.99 0.09 -1.26 -0.09 115.29 119.63 3kts s HIS 37 Ca -0.02 0.57 0.21 0.00 -0.00 0.00 0.00 55.06 55.82 3kts s HIS 37 Cb -0.03 -1.97 1.26 0.00 -0.00 0.00 0.00 32.58 31.84 3kts s HIS 37 CO -0.03 0.71 2.05 -0.24 -0.00 0.00 0.00 174.74 177.23 3kts h VAL 38 N 3.77 0.84 -0.16 -0.90 3.04 -1.64 -2.40 116.25 118.80 3kts h VAL 38 Ca -0.54 -0.55 -0.19 0.00 -1.01 0.00 0.00 66.70 64.42 3kts h VAL 38 Cb 1.22 1.32 0.01 0.00 -2.01 0.00 0.00 31.29 31.83 3kts h VAL 38 CO 0.60 0.14 -0.62 0.00 -1.01 0.00 0.00 177.57 176.68 3kts h ALA 39 N 1.86 0.30 0.00 3.17 0.00 -1.95 -3.08 119.26 119.55 3kts h ALA 39 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kts h ALA 39 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kts h ALA 39 CO 0.02 0.56 -0.14 1.04 0.00 0.00 0.00 179.25 180.73 3kts n GLN 40 N -4.07 0.05 -0.00 0.00 6.02 -1.13 -4.55 117.38 113.69 3kts n GLN 40 Ca -0.07 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.84 3kts n GLN 40 Cb 0.66 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 30.32 3kts n GLN 40 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3kts h LEU 41 N 0.00 0.11 -0.59 1.08 5.85 -1.34 -1.83 115.31 118.58 3kts h LEU 41 Ca 0.00 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3kts h LEU 41 Cb 0.54 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 3kts h LEU 41 CO 0.00 0.08 0.28 0.50 -0.34 0.00 0.00 178.44 178.96 3kts h LYS 42 N 0.13 0.51 0.45 1.25 3.11 -1.80 -2.50 116.57 117.72 3kts h LYS 42 Ca 0.04 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 3kts h LYS 42 Cb -0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.11 3kts h LYS 42 CO -0.01 0.34 -0.22 0.00 -2.81 0.00 0.00 179.45 176.75 3kts h ALA 43 N 1.35 -0.60 -0.72 5.00 0.00 -1.77 -2.21 119.26 120.30 3kts h ALA 43 Ca 0.28 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kts h ALA 43 Cb 0.24 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3kts h ALA 43 CO -0.22 -0.83 0.44 -0.07 0.00 0.00 0.00 179.25 178.57 3kts h LEU 44 N -0.62 0.69 0.11 0.00 3.38 -1.24 0.16 115.31 117.79 3kts h LEU 44 Ca -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3kts h LEU 44 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kts h LEU 44 CO 0.10 0.46 -0.05 0.58 0.09 0.00 0.00 178.44 179.61 3kts h VAL 45 N 0.82 1.05 -0.53 1.22 2.07 -1.46 -1.45 116.25 117.96 3kts h VAL 45 Ca 0.31 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3kts h VAL 45 Cb 0.11 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3kts h VAL 45 CO -0.15 0.16 0.35 0.50 0.02 0.00 0.00 177.57 178.46 3kts h LYS 46 N -0.47 0.67 -0.20 1.57 3.64 -1.17 -1.70 116.57 118.91 3kts h LYS 46 Ca -0.02 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3kts h LYS 46 Cb 0.38 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kts h LYS 46 CO 0.03 0.45 -0.18 -0.92 -2.27 0.00 0.00 179.45 176.55 3kts h TYR 47 N 0.69 0.57 -0.02 1.91 3.20 -0.62 -2.45 116.97 120.26 3kts h TYR 47 Ca 0.20 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3kts h TYR 47 Cb -0.04 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3kts h TYR 47 CO -0.00 0.82 -0.40 0.00 -1.64 0.00 0.00 178.16 176.94 3kts h ALA 48 N 0.66 1.30 -0.01 1.82 0.00 -0.95 -1.95 119.26 120.13 3kts h ALA 48 Ca 0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3kts h ALA 48 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kts h ALA 48 CO 0.05 0.52 -0.70 1.96 0.00 0.00 0.00 179.25 181.07 3kts h GLN 49 N 0.03 0.05 0.00 0.00 4.20 -1.35 -1.81 115.11 116.23 3kts h GLN 49 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kts h GLN 49 Cb 0.73 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3kts h GLN 49 CO 0.05 0.73 0.00 0.00 -0.67 0.00 0.00 178.83 178.94 3kts n ALA 50 N -2.42 1.96 0.76 3.87 0.00 -0.92 -1.79 120.51 121.96 3kts n ALA 50 Ca -0.01 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3kts n ALA 50 Cb 0.68 -1.41 0.25 0.00 0.00 0.00 0.00 19.45 18.97 3kts n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kts n GLY 51 N 0.64 0.89 2.11 0.00 0.00 -0.78 -4.93 105.19 103.12 3kts n GLY 51 Ca 0.04 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 3kts n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kts n GLY 52 N 1.21 0.17 3.44 -0.02 0.00 -0.74 -5.03 105.19 104.21 3kts n GLY 52 Ca 0.15 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3kts n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kts s LYS 53 N -4.41 2.34 -0.27 1.61 -0.14 -0.70 -4.92 119.74 113.25 3kts s LYS 53 Ca 0.02 -0.79 -0.12 0.00 -1.36 0.00 0.00 55.97 53.71 3kts s LYS 53 Cb -0.01 -2.27 -0.05 0.00 -1.68 0.00 0.00 37.83 33.82 3kts s LYS 53 CO 0.02 0.60 0.23 0.15 -0.76 0.00 0.00 175.35 175.59 3kts s LYS 54 N -0.82 4.00 -0.31 1.68 1.02 -0.67 -3.67 119.74 120.97 3kts s LYS 54 Ca 0.12 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.76 3kts s LYS 54 Cb -0.10 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3kts s LYS 54 CO 0.01 -0.14 0.31 0.08 -0.92 0.00 0.00 175.35 174.69 3kts s VAL 55 N 1.66 5.22 -0.18 3.17 1.01 -1.26 -1.78 120.40 128.23 3kts s VAL 55 Ca 0.09 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 3kts s VAL 55 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3kts s VAL 55 CO 0.09 0.05 0.49 -0.76 0.00 0.00 0.00 175.10 174.97 3kts s LEU 56 N 1.93 4.18 -0.13 3.92 1.43 0.14 -0.19 118.68 129.96 3kts s LEU 56 Ca 0.11 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3kts s LEU 56 Cb -0.16 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 3kts s LEU 56 CO 0.11 -0.12 -0.16 -0.22 0.23 0.00 0.00 176.35 176.19 3kts s LEU 57 N 1.35 2.51 -0.55 1.79 2.96 0.41 -0.35 118.68 126.79 3kts s LEU 57 Ca 0.24 -0.42 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 3kts s LEU 57 Cb -0.15 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3kts s LEU 57 CO 0.09 0.14 1.55 -1.00 -1.32 0.00 0.00 176.35 175.81 3kts s HIS 58 N 0.50 2.09 -1.17 5.38 3.76 -0.11 -0.53 115.29 125.21 3kts s HIS 58 Ca -0.11 0.53 0.21 0.00 -0.15 0.00 0.00 55.06 55.54 3kts s HIS 58 Cb -0.16 -4.31 0.96 0.00 1.11 0.00 0.00 32.58 30.18 3kts s HIS 58 CO 0.05 -2.17 1.67 0.00 -0.85 0.00 0.00 174.74 173.44 3kts n ALA 59 N 10.32 2.01 0.97 -1.40 0.00 -0.20 -2.82 120.51 129.40 3kts n ALA 59 Ca 0.15 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.60 3kts n ALA 59 Cb 0.49 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 3kts n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kts n ASP 60 N -1.41 0.97 -0.14 0.00 10.43 -1.26 -4.49 116.55 120.65 3kts n ASP 60 Ca 0.07 -0.99 0.07 0.00 2.57 0.00 0.00 54.79 56.51 3kts n ASP 60 Cb 0.21 1.00 0.11 0.00 1.84 0.00 0.00 41.12 44.28 3kts n ASP 60 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3kts n LEU 61 N -1.49 2.40 -4.47 0.64 4.77 -1.13 -4.94 117.00 112.78 3kts n LEU 61 Ca 0.04 -2.71 -0.43 0.00 -0.03 0.00 0.00 56.01 52.88 3kts n LEU 61 Cb 0.32 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3kts n LEU 61 CO 0.42 0.64 0.65 -0.69 -1.33 0.00 0.00 177.39 177.08 3kts s VAL 62 N -2.23 4.49 0.23 4.08 1.01 -1.25 -2.33 120.40 124.40 3kts s VAL 62 Ca 0.23 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3kts s VAL 62 Cb 0.19 -4.54 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3kts s VAL 62 CO 0.03 -1.17 1.50 0.20 0.00 0.00 0.00 175.10 175.66 3kts s ASN 63 N 3.15 6.59 0.00 3.32 0.01 0.87 -2.16 114.94 126.73 3kts s ASN 63 Ca 0.23 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 55.07 3kts s ASN 63 Cb -0.16 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.88 3kts s ASN 63 CO 0.14 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.57 3kts n GLY 64 N 2.67 3.35 3.45 0.66 0.00 -1.26 -1.73 105.19 112.33 3kts n GLY 64 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3kts n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kts s LEU 65 N 0.00 2.70 0.00 0.99 2.96 -0.92 -5.03 118.68 119.39 3kts s LEU 65 Ca 0.00 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3kts s LEU 65 Cb 0.00 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.19 3kts s LEU 65 CO 0.00 0.31 0.24 0.29 -1.32 0.00 0.00 176.35 175.87 3kts n LYS 66 N 2.57 -1.19 -0.09 1.98 5.02 -1.26 -4.70 118.16 120.50 3kts n LYS 66 Ca -0.17 -0.38 0.07 0.00 -2.02 0.00 0.00 58.31 55.81 3kts n LYS 66 Cb 0.52 -0.33 0.10 0.00 -0.02 0.00 0.00 35.03 35.30 3kts n LYS 66 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kts n ASN 67 N -3.34 2.07 -4.20 4.39 6.94 -1.26 -4.83 115.26 115.02 3kts n ASN 67 Ca 0.03 -2.76 -0.35 0.00 -0.02 0.00 0.00 54.58 51.49 3kts n ASN 67 Cb 0.12 -0.32 0.08 0.00 -2.36 0.00 0.00 39.78 37.30 3kts n ASN 67 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kts n ASP 68 N -1.12 -4.11 -0.33 0.53 10.43 -1.26 -4.65 116.55 116.04 3kts n ASP 68 Ca 0.11 0.26 0.02 0.00 2.57 0.00 0.00 54.79 57.76 3kts n ASP 68 Cb 0.56 -0.98 0.16 0.00 1.84 0.00 0.00 41.12 42.71 3kts n ASP 68 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3kts h ASP 69 N -1.25 0.87 -0.88 -2.24 3.32 -1.98 0.64 116.42 114.91 3kts h ASP 69 Ca -0.44 0.02 0.13 0.00 0.02 0.00 0.00 57.03 56.77 3kts h ASP 69 Cb 1.29 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.60 3kts h ASP 69 CO 0.29 0.53 0.49 1.88 -1.72 0.00 0.00 179.24 180.72 3kts h TYR 70 N 0.99 0.88 -0.02 4.55 -1.99 -1.99 0.35 116.97 119.73 3kts h TYR 70 Ca 0.41 0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.98 3kts h TYR 70 Cb 0.24 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 3kts h TYR 70 CO -0.03 0.28 -0.82 0.00 -0.00 0.00 0.00 178.16 177.59 3kts h ALA 71 N 1.53 0.56 -0.01 3.88 0.00 -1.57 -2.95 119.26 120.70 3kts h ALA 71 Ca 0.46 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3kts h ALA 71 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kts h ALA 71 CO -0.31 0.85 -0.70 0.82 0.00 0.00 0.00 179.25 179.90 3kts h ILE 72 N 0.16 1.48 -0.40 0.00 1.08 -0.15 -1.91 117.51 117.78 3kts h ILE 72 Ca -0.04 -2.34 0.05 0.00 -0.39 0.00 0.00 64.86 62.14 3kts h ILE 72 Cb 1.42 2.26 -0.04 0.00 -3.07 0.00 0.00 36.82 37.39 3kts h ILE 72 CO 0.13 0.67 0.15 0.44 -0.69 0.00 0.00 178.15 178.85 3kts h ASP 73 N 0.04 0.17 -0.74 1.72 3.32 -0.33 -2.25 116.42 118.35 3kts h ASP 73 Ca -0.01 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3kts h ASP 73 Cb 1.24 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 3kts h ASP 73 CO 0.10 0.13 0.33 0.15 -1.72 0.00 0.00 179.24 178.23 3kts h PHE 74 N 0.32 1.11 -0.01 4.55 3.04 -1.31 0.16 116.94 124.79 3kts h PHE 74 Ca 0.18 -0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.94 3kts h PHE 74 Cb 0.15 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 3kts h PHE 74 CO -0.14 0.82 -0.61 -0.07 -2.02 0.00 0.00 178.31 176.29 3kts h LEU 75 N 1.08 0.05 0.04 0.59 3.38 -1.21 -1.26 115.31 117.98 3kts h LEU 75 Ca 0.26 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 3kts h LEU 75 Cb 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kts h LEU 75 CO -0.03 0.65 -0.51 0.00 0.09 0.00 0.00 178.44 178.64 3kts h THR 77 N -0.82 1.22 0.00 0.00 1.35 -1.07 -3.33 112.91 110.26 3kts h THR 77 Ca -0.12 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.76 3kts h THR 77 Cb 1.25 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 3kts h THR 77 CO -0.00 0.74 -1.35 -0.62 -0.25 0.00 0.00 175.52 174.03 3kts n GLU 78 N -3.24 0.34 -0.06 4.72 1.02 -0.51 -4.73 120.64 118.17 3kts n GLU 78 Ca -0.11 -0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 56.88 3kts n GLU 78 Cb 1.01 -1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 31.17 3kts n GLU 78 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kts n ILE 79 N -1.77 0.77 -3.62 -3.67 -0.00 -0.98 -4.93 119.36 105.16 3kts n ILE 79 Ca -0.01 -0.37 -0.20 0.00 -0.00 0.00 0.00 62.75 62.16 3kts n ILE 79 Cb 0.21 -0.86 0.00 0.00 -0.00 0.00 0.00 39.64 38.99 3kts n ILE 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kts n PRO 81 N -2.27 -0.27 0.07 0.00 -0.04 -1.26 -4.95 135.00 126.28 3kts n PRO 81 Ca -0.24 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.28 3kts n PRO 81 Cb 0.65 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.07 3kts n PRO 81 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kts h ASP 82 N -0.36 0.00 -4.73 3.54 3.32 -0.94 -3.48 116.42 113.76 3kts h ASP 82 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3kts h ASP 82 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 3kts h ASP 82 CO 0.00 0.30 0.38 -0.83 -1.72 0.00 0.00 179.24 177.37 3kts s GLY 83 N -4.58 -0.50 0.03 2.75 0.00 -0.99 -3.97 107.32 100.05 3kts s GLY 83 Ca -0.02 0.99 0.08 0.00 0.00 0.00 0.00 44.72 45.78 3kts s GLY 83 CO 0.80 0.42 -0.23 -0.26 0.00 0.00 0.00 173.10 173.83 3kts s ILE 84 N -2.90 2.41 -0.15 0.90 -4.36 0.14 -0.45 121.20 116.79 3kts s ILE 84 Ca 0.01 -1.26 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 3kts s ILE 84 Cb -0.01 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.73 3kts s ILE 84 CO -0.07 0.39 -0.08 -0.63 0.24 0.00 0.00 174.94 174.79 3kts s ILE 85 N -0.82 3.45 0.05 8.37 1.01 0.31 -0.53 121.20 133.05 3kts s ILE 85 Ca 0.13 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 3kts s ILE 85 Cb -0.10 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3kts s ILE 85 CO 0.03 0.50 0.21 -0.55 0.00 0.00 0.00 174.94 175.12 3kts s SER 86 N 0.51 0.03 0.00 3.58 0.15 -0.67 -1.04 113.70 116.27 3kts s SER 86 Ca -0.06 -0.41 0.22 0.00 0.70 0.00 0.00 55.95 56.41 3kts s SER 86 Cb -0.15 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 3kts s SER 86 CO 0.03 -0.60 1.06 1.07 1.20 0.00 0.00 173.24 176.00 3kts n THR 87 N 0.51 0.01 -3.46 6.45 5.66 -1.26 0.09 114.28 122.27 3kts n THR 87 Ca -0.18 -0.01 -0.37 0.00 -3.05 0.00 0.00 64.05 60.44 3kts n THR 87 Cb 0.60 0.73 -0.07 0.00 -1.55 0.00 0.00 70.33 70.04 3kts n THR 87 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3kts s ARG 88 N -3.01 4.28 0.19 1.09 3.52 -1.26 -4.85 118.95 118.92 3kts s ARG 88 Ca 0.09 0.21 -0.10 0.00 -0.13 0.00 0.00 55.73 55.79 3kts s ARG 88 Cb 0.16 -3.44 0.12 0.00 -1.56 0.00 0.00 34.95 30.24 3kts s ARG 88 CO 0.81 0.20 1.77 0.78 -0.81 0.00 0.00 175.30 178.05 3kts h GLY 89 N 6.75 1.10 1.84 8.12 0.00 -1.97 -2.91 103.07 116.00 3kts h GLY 89 Ca -0.41 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.26 3kts h GLY 89 CO 0.76 0.55 -0.32 3.43 0.00 0.00 0.00 176.54 180.95 3kts h ASN 90 N 0.98 0.19 -0.25 0.19 -0.26 -1.95 -2.74 115.58 111.75 3kts h ASN 90 Ca 0.24 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.82 3kts h ASN 90 Cb 0.17 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 3kts h ASN 90 CO -0.02 0.51 -0.13 0.00 -1.06 0.00 0.00 177.43 176.73 3kts h ALA 91 N 1.51 1.08 -0.26 -0.83 0.00 -1.78 -1.53 119.26 117.45 3kts h ALA 91 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3kts h ALA 91 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kts h ALA 91 CO 0.05 0.57 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 3kts h ILE 92 N 0.60 1.27 -0.21 0.00 1.08 -1.39 -2.38 117.51 116.48 3kts h ILE 92 Ca 0.10 -0.98 -0.13 0.00 -0.39 0.00 0.00 64.86 63.46 3kts h ILE 92 Cb 0.57 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 3kts h ILE 92 CO 0.04 0.31 -0.43 0.24 -0.69 0.00 0.00 178.15 177.62 3kts h MET 93 N 0.23 0.51 -0.49 2.37 2.86 -1.43 -1.52 114.93 117.46 3kts h MET 93 Ca 0.07 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 3kts h MET 93 Cb 0.46 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 3kts h MET 93 CO 0.02 0.85 -0.04 -0.22 1.06 0.00 0.00 176.91 178.57 3kts h LYS 94 N 0.42 0.90 -0.47 1.72 1.63 -1.28 -2.58 116.57 116.90 3kts h LYS 94 Ca 0.03 -0.31 -0.09 0.00 -0.85 0.00 0.00 60.65 59.44 3kts h LYS 94 Cb 0.92 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.46 3kts h LYS 94 CO 0.08 0.95 -0.06 0.00 -3.45 0.00 0.00 179.45 176.97 3kts h ALA 95 N 0.92 1.01 -0.43 5.00 0.00 -1.26 -2.74 119.26 121.75 3kts h ALA 95 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3kts h ALA 95 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3kts h ALA 95 CO 0.03 0.60 0.10 0.87 0.00 0.00 0.00 179.25 180.85 3kts h LYS 96 N 0.76 0.65 -0.84 0.00 1.57 -1.15 -0.32 116.57 117.24 3kts h LYS 96 Ca 0.14 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3kts h LYS 96 Cb 0.54 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3kts h LYS 96 CO 0.03 0.60 0.38 1.96 -0.57 0.00 0.00 179.45 181.85 3kts h GLN 97 N 0.63 1.22 -0.09 3.15 4.20 -1.18 -2.80 115.11 120.24 3kts h GLN 97 Ca 0.14 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3kts h GLN 97 Cb 0.25 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3kts h GLN 97 CO -0.00 0.95 0.00 0.72 -0.67 0.00 0.00 178.83 179.83 3kts n HIS 98 N -4.29 0.13 -1.24 2.96 8.25 -0.74 -4.88 115.22 115.40 3kts n HIS 98 Ca 0.08 -0.06 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 3kts n HIS 98 Cb 0.16 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 3kts n HIS 98 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kts n LYS 99 N -0.23 -1.12 -2.54 -0.41 4.76 -1.02 -5.01 118.16 112.59 3kts n LYS 99 Ca 0.04 0.73 -0.38 0.00 -2.87 0.00 0.00 58.31 55.83 3kts n LYS 99 Cb 0.08 -4.79 -0.04 0.00 -1.84 0.00 0.00 35.03 28.45 3kts n LYS 99 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3kts s MET 100 N -2.44 4.32 -0.49 1.97 -1.94 -0.21 -4.99 119.30 115.53 3kts s MET 100 Ca 0.00 1.58 -0.27 0.00 -1.71 0.00 0.00 55.69 55.29 3kts s MET 100 Cb 0.00 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 3kts s MET 100 CO 0.00 -0.01 1.93 -1.17 -0.01 0.00 0.00 175.02 175.76 3kts s LEU 101 N -2.27 3.38 -0.43 -0.03 0.20 -1.25 -4.28 118.68 114.00 3kts s LEU 101 Ca 0.54 0.82 -0.13 0.00 0.69 0.00 0.00 54.13 56.04 3kts s LEU 101 Cb -0.24 -2.88 0.06 0.00 -0.43 0.00 0.00 46.19 42.69 3kts s LEU 101 CO 0.31 -2.22 0.31 0.00 -0.29 0.00 0.00 176.35 174.46 3kts s ALA 102 N 8.80 3.43 -0.27 5.97 0.00 -1.26 -0.69 121.76 137.74 3kts s ALA 102 Ca 0.77 -2.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 3kts s ALA 102 Cb -0.17 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 3kts s ALA 102 CO 0.26 -1.61 0.17 0.42 0.00 0.00 0.00 175.76 175.00 3kts s ILE 103 N 1.57 5.20 -0.16 0.00 1.01 0.31 -1.54 121.20 127.59 3kts s ILE 103 Ca 0.03 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.60 3kts s ILE 103 Cb -0.22 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3kts s ILE 103 CO 0.06 0.28 0.64 -1.58 0.00 0.00 0.00 174.94 174.34 3kts s GLN 104 N 1.63 4.27 -0.04 2.79 0.74 -0.15 -1.67 119.66 127.24 3kts s GLN 104 Ca 0.07 0.68 -0.18 0.00 0.05 0.00 0.00 55.36 55.97 3kts s GLN 104 Cb -0.16 -3.54 -0.05 0.00 1.10 0.00 0.00 33.01 30.37 3kts s GLN 104 CO 0.09 -0.15 0.51 0.50 -0.55 0.00 0.00 175.29 175.70 3kts s ARG 105 N 1.59 4.24 -0.03 1.67 3.52 0.11 0.23 118.95 130.28 3kts s ARG 105 Ca 0.31 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.50 3kts s ARG 105 Cb -0.16 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 3kts s ARG 105 CO 0.12 0.37 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.72 3kts s LEU 106 N -0.11 1.68 -0.31 -0.88 2.96 0.87 -4.44 118.68 118.44 3kts s LEU 106 Ca 0.28 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.88 3kts s LEU 106 Cb -0.17 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 3kts s LEU 106 CO 0.14 0.04 0.20 -0.36 -1.32 0.00 0.00 176.35 175.05 3kts s PHE 107 N 0.39 3.21 -0.96 5.38 0.08 -1.26 -1.54 117.98 123.28 3kts s PHE 107 Ca -0.06 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 56.61 3kts s PHE 107 Cb -0.11 -2.41 -0.09 0.00 -0.57 0.00 0.00 43.02 39.84 3kts s PHE 107 CO 0.01 -0.34 2.09 -1.33 -0.10 0.00 0.00 175.22 175.55 3kts n MET 108 N 5.06 2.00 0.03 0.44 2.81 0.55 -4.64 117.12 123.37 3kts n MET 108 Ca -0.13 -1.84 -0.02 0.00 -1.81 0.00 0.00 57.70 53.89 3kts n MET 108 Cb 0.50 -2.81 -0.01 0.00 -0.71 0.00 0.00 33.22 30.19 3kts n MET 108 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3kts h ILE 109 N 3.99 0.00 -4.74 2.02 2.04 -1.93 -3.45 117.51 115.43 3kts h ILE 109 Ca 0.49 -0.53 -0.40 0.00 1.00 0.00 0.00 64.86 65.42 3kts h ILE 109 Cb 0.48 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.43 3kts h ILE 109 CO 1.78 0.00 -0.47 1.51 0.00 0.00 0.00 178.15 180.96 3kts s ASP 110 N -4.40 1.30 0.41 1.72 1.47 -1.26 -5.03 116.67 110.88 3kts s ASP 110 Ca -0.02 -1.65 0.13 0.00 1.18 0.00 0.00 52.55 52.18 3kts s ASP 110 Cb 0.00 0.54 0.88 0.00 -0.34 0.00 0.00 42.92 44.00 3kts s ASP 110 CO 0.07 -1.05 1.93 0.77 0.68 0.00 0.00 175.17 177.57 3kts h SER 111 N 2.22 0.06 -0.57 2.11 4.64 -1.99 -2.01 113.55 118.01 3kts h SER 111 Ca -0.27 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 3kts h SER 111 Cb 1.24 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 3kts h SER 111 CO 0.40 0.28 0.20 -1.28 -0.87 0.00 0.00 176.83 175.55 3kts h SER 112 N 0.06 0.84 0.98 4.97 0.87 -1.99 -0.94 113.55 118.33 3kts h SER 112 Ca 0.01 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.32 3kts h SER 112 Cb 0.41 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3kts h SER 112 CO 0.03 0.78 -0.57 0.00 -0.53 0.00 0.00 176.83 176.54 3kts h ALA 113 N 1.33 0.79 -0.32 6.23 0.00 -1.74 -1.62 119.26 123.95 3kts h ALA 113 Ca 0.20 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 3kts h ALA 113 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kts h ALA 113 CO -0.01 0.72 -0.34 -0.92 0.00 0.00 0.00 179.25 178.69 3kts h TYR 114 N 0.00 0.96 0.05 0.00 3.20 -1.01 -1.97 116.97 118.21 3kts h TYR 114 Ca -0.01 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 3kts h TYR 114 Cb 1.21 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3kts h TYR 114 CO 0.00 1.08 -0.02 -0.91 -1.64 0.00 0.00 178.16 176.67 3kts h ASN 115 N 0.57 -0.05 0.41 -2.11 2.35 -1.08 -1.75 115.58 113.91 3kts h ASN 115 Ca 0.05 -0.38 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 3kts h ASN 115 Cb 0.93 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 3kts h ASN 115 CO 0.08 0.36 -0.12 0.11 -1.65 0.00 0.00 177.43 176.22 3kts h LYS 116 N -0.48 0.00 0.16 0.81 1.57 -1.40 -2.39 116.57 114.84 3kts h LYS 116 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kts h LYS 116 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3kts h LYS 116 CO 0.01 0.12 -0.08 0.78 -0.57 0.00 0.00 179.45 179.71 3kts h GLY 117 N 0.94 -0.23 2.00 3.86 0.00 -1.27 -2.88 103.07 105.49 3kts h GLY 117 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3kts h GLY 117 CO 0.02 -0.08 -0.18 -0.39 0.00 0.00 0.00 176.54 175.90 3kts h VAL 118 N -0.87 0.73 -0.29 4.60 -1.51 -1.17 0.45 116.25 118.19 3kts h VAL 118 Ca -0.02 -0.76 -0.17 0.00 -1.23 0.00 0.00 66.70 64.52 3kts h VAL 118 Cb 0.52 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.14 3kts h VAL 118 CO 0.04 0.18 -0.50 0.00 -1.23 0.00 0.00 177.57 176.06 3kts h ALA 119 N 1.82 0.57 -0.18 5.19 0.00 -1.55 -2.01 119.26 123.10 3kts h ALA 119 Ca -0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 3kts h ALA 119 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kts h ALA 119 CO 0.02 0.68 -0.44 1.25 0.00 0.00 0.00 179.25 180.76 3kts h LEU 120 N 0.63 0.69 -0.18 0.00 5.85 -1.00 -1.77 115.31 119.53 3kts h LEU 120 Ca 0.03 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.21 3kts h LEU 120 Cb 1.09 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3kts h LEU 120 CO 0.11 1.14 -0.08 0.40 -0.34 0.00 0.00 178.44 179.67 3kts h ILE 121 N 0.28 0.73 -0.37 4.05 2.04 -0.17 0.18 117.51 124.25 3kts h ILE 121 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3kts h ILE 121 Cb 1.05 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3kts h ILE 121 CO 0.10 0.00 0.05 1.56 0.00 0.00 0.00 178.15 179.85 3kts h GLN 122 N -0.06 0.56 0.12 2.37 4.20 -1.39 0.31 115.11 121.22 3kts h GLN 122 Ca 0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kts h GLN 122 Cb 0.21 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3kts h GLN 122 CO -0.22 0.55 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.21 3kts h LYS 123 N 0.54 -0.16 0.00 1.46 3.64 -0.58 -3.37 116.57 118.11 3kts h LYS 123 Ca 0.12 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3kts h LYS 123 Cb 0.28 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3kts h LYS 123 CO 0.00 0.10 -1.66 1.33 -2.27 0.00 0.00 179.45 176.96 3kts n VAL 124 N -5.05 0.71 -3.29 2.00 0.24 0.58 -5.04 118.33 108.48 3kts n VAL 124 Ca -0.09 -0.62 -0.23 0.00 -2.04 0.00 0.00 64.34 61.36 3kts n VAL 124 Cb 0.18 -0.37 0.02 0.00 -1.47 0.00 0.00 33.84 32.20 3kts n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kts n GLN 125 N -2.62 -1.96 -1.69 7.34 1.13 0.11 -4.78 117.38 114.91 3kts n GLN 125 Ca -0.09 1.57 -0.30 0.00 -1.94 0.00 0.00 57.00 56.24 3kts n GLN 125 Cb 0.74 -3.66 0.07 0.00 0.11 0.00 0.00 30.24 27.49 3kts n GLN 125 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3kts s PRO 126 N -2.92 2.53 0.25 -1.09 0.04 -1.26 -4.98 135.00 127.58 3kts s PRO 126 Ca 0.25 0.61 0.07 0.00 0.04 0.00 0.00 61.00 61.97 3kts s PRO 126 Cb -0.04 -1.97 0.31 0.00 0.04 0.00 0.00 34.50 32.83 3kts s PRO 126 CO 0.83 -1.30 1.59 -0.44 0.04 0.00 0.00 177.00 177.72 3kts h ASP 127 N -0.86 0.16 -5.11 6.66 3.32 -1.67 -3.46 116.42 115.47 3kts h ASP 127 Ca -0.46 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 3kts h ASP 127 Cb 1.25 -0.05 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 3kts h ASP 127 CO 0.61 0.72 -0.28 0.00 -1.72 0.00 0.00 179.24 178.57 3kts s ILE 129 N -3.46 1.42 -0.35 0.00 -4.36 -0.41 -0.97 121.20 113.06 3kts s ILE 129 Ca 0.02 -0.66 -0.13 0.00 -0.26 0.00 0.00 60.65 59.61 3kts s ILE 129 Cb 0.02 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.47 3kts s ILE 129 CO -0.09 0.42 0.24 -0.70 0.24 0.00 0.00 174.94 175.05 3kts s GLU 130 N 0.45 3.35 -0.20 0.37 2.12 0.14 0.34 118.70 125.27 3kts s GLU 130 Ca -0.13 -0.74 -0.12 0.00 0.36 0.00 0.00 54.97 54.33 3kts s GLU 130 Cb -0.15 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 3kts s GLU 130 CO 0.05 -0.51 0.23 -0.51 -0.54 0.00 0.00 175.26 173.97 3kts s LEU 131 N 1.70 4.19 -0.02 2.70 1.02 0.76 -0.09 118.68 128.94 3kts s LEU 131 Ca 0.06 0.33 0.07 0.00 0.02 0.00 0.00 54.13 54.60 3kts s LEU 131 Cb -0.18 -2.24 -0.02 0.00 0.02 0.00 0.00 46.19 43.77 3kts s LEU 131 CO 0.10 0.09 -0.22 -0.76 0.02 0.00 0.00 176.35 175.58 3kts s LEU 132 N 0.69 2.04 0.84 1.79 1.02 -0.59 -0.74 118.68 123.73 3kts s LEU 132 Ca 0.12 -0.41 -0.13 0.00 0.02 0.00 0.00 54.13 53.74 3kts s LEU 132 Cb -0.13 -1.15 0.10 0.00 0.02 0.00 0.00 46.19 45.03 3kts s LEU 132 CO 0.03 0.27 1.20 -2.16 0.02 0.00 0.00 176.35 175.71 3kts s PRO 133 N -0.51 1.71 0.00 1.29 0.04 -1.26 -0.33 135.00 135.94 3kts s PRO 133 Ca 0.08 0.00 0.26 0.00 0.04 0.00 0.00 61.00 61.38 3kts s PRO 133 Cb -0.09 -1.94 0.82 0.00 0.04 0.00 0.00 34.50 33.34 3kts s PRO 133 CO -0.01 -1.75 1.61 0.41 0.04 0.00 0.00 177.00 177.30 3kts n GLY 134 N -3.40 0.30 1.08 0.56 0.00 -0.06 -4.13 105.19 99.54 3kts n GLY 134 Ca 0.09 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3kts n GLY 134 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kts n ILE 135 N 0.47 0.95 -3.87 -0.61 -5.35 -1.26 -4.44 119.36 105.27 3kts n ILE 135 Ca 0.18 -0.76 -0.31 0.00 -0.27 0.00 0.00 62.75 61.58 3kts n ILE 135 Cb 0.41 0.22 -0.12 0.00 -1.74 0.00 0.00 39.64 38.41 3kts n ILE 135 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3kts s ILE 136 N -1.48 3.05 -0.54 7.28 1.01 -1.26 -4.94 121.20 124.33 3kts s ILE 136 Ca 0.36 -3.69 0.25 0.00 0.00 0.00 0.00 60.65 57.57 3kts s ILE 136 Cb 0.21 -3.02 0.27 0.00 0.01 0.00 0.00 42.46 39.93 3kts s ILE 136 CO 0.22 -0.92 1.75 -0.65 0.00 0.00 0.00 174.94 175.34 3kts h PRO 137 N 6.11 0.00 -0.10 2.79 0.11 -1.90 -3.05 132.00 135.97 3kts h PRO 137 Ca 0.04 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.99 3kts h PRO 137 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3kts h PRO 137 CO 0.72 0.00 -0.63 1.49 -0.21 0.00 0.00 178.00 179.37 3kts h GLU 138 N 0.00 0.35 0.00 1.05 4.81 -1.94 -1.14 114.58 117.71 3kts h GLU 138 Ca 0.00 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 58.80 3kts h GLU 138 Cb 0.52 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3kts h GLU 138 CO 0.00 0.86 -0.84 1.96 -0.73 0.00 0.00 179.01 180.27 3kts h GLN 139 N 0.26 0.04 -0.18 1.92 1.08 -1.97 -2.84 115.11 113.42 3kts h GLN 139 Ca -0.01 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 56.96 3kts h GLN 139 Cb 1.16 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.60 3kts h GLN 139 CO 0.10 0.85 -0.62 0.28 -0.95 0.00 0.00 178.83 178.50 3kts h VAL 140 N 0.02 1.32 -0.44 -0.54 2.07 -1.48 -2.24 116.25 114.96 3kts h VAL 140 Ca -0.02 -1.87 -0.10 0.00 0.82 0.00 0.00 66.70 65.53 3kts h VAL 140 Cb 1.47 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 3kts h VAL 140 CO 0.11 0.59 -0.13 -0.61 0.02 0.00 0.00 177.57 177.55 3kts h GLN 141 N 0.46 0.82 -0.55 1.57 4.15 -1.24 -2.09 115.11 118.22 3kts h GLN 141 Ca -0.01 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 3kts h GLN 141 Cb 1.19 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 3kts h GLN 141 CO 0.12 0.90 0.23 -0.22 -1.93 0.00 0.00 178.83 177.93 3kts h LYS 142 N 0.73 0.82 -0.00 1.69 3.64 -1.38 -3.07 116.57 119.00 3kts h LYS 142 Ca 0.12 -0.14 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 3kts h LYS 142 Cb 0.62 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3kts h LYS 142 CO 0.04 0.70 -0.94 0.52 -2.27 0.00 0.00 179.45 177.50 3kts h MET 143 N 0.75 0.42 -0.13 1.90 2.86 -1.32 -2.20 114.93 117.20 3kts h MET 143 Ca 0.19 -0.44 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 3kts h MET 143 Cb 0.18 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3kts h MET 143 CO -0.02 1.11 -0.35 1.79 1.06 0.00 0.00 176.91 180.50 3kts h THR 144 N 0.24 1.29 0.00 2.22 1.35 -1.42 -2.58 112.91 114.00 3kts h THR 144 Ca -0.08 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3kts h THR 144 Cb 1.57 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 3kts h THR 144 CO 0.16 0.42 -0.58 0.00 -0.25 0.00 0.00 175.52 175.27 3kts n GLN 145 N -4.07 0.18 -0.03 4.72 6.02 -1.16 -3.19 117.38 119.85 3kts n GLN 145 Ca -0.01 0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 3kts n GLN 145 Cb 0.44 -1.61 -0.10 0.00 1.02 0.00 0.00 30.24 29.99 3kts n GLN 145 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3kts h LYS 146 N 0.00 0.09 0.00 -1.09 3.11 -1.00 -3.43 116.57 114.24 3kts h LYS 146 Ca 0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 3kts h LYS 146 Cb 0.65 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 3kts h LYS 146 CO 0.00 0.61 0.00 1.28 -2.81 0.00 0.00 179.45 178.53 3kts n LEU 147 N -4.75 0.22 -0.83 5.20 4.77 -1.08 -5.03 117.00 115.49 3kts n LEU 147 Ca -0.08 -0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 55.46 3kts n LEU 147 Cb 0.31 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3kts n LEU 147 CO 0.35 0.05 -0.10 1.41 -1.33 0.00 0.00 177.39 177.78 3kts n HIS 148 N -0.24 -0.02 -3.62 -1.77 8.25 -1.19 -4.97 115.22 111.65 3kts n HIS 148 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3kts n HIS 148 Cb 0.06 -2.70 -0.07 0.00 1.12 0.00 0.00 29.99 28.40 3kts n HIS 148 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kts s ILE 149 N -1.87 5.33 0.26 1.59 1.01 -1.26 -5.06 121.20 121.20 3kts s ILE 149 Ca 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 60.65 60.78 3kts s ILE 149 Cb 0.00 -3.57 -0.13 0.00 0.01 0.00 0.00 42.46 38.77 3kts s ILE 149 CO 0.00 0.45 1.44 -2.65 0.00 0.00 0.00 174.94 174.17 3kts n PRO 150 N 3.21 2.17 -4.48 2.79 -0.02 -1.26 -4.83 135.00 132.57 3kts n PRO 150 Ca -0.14 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 3kts n PRO 150 Cb 0.52 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.43 3kts n PRO 150 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kts s VAL 151 N -0.11 2.74 -0.08 -1.45 -7.23 -1.26 -1.29 120.40 111.72 3kts s VAL 151 Ca 0.67 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 3kts s VAL 151 Cb -0.61 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 3kts s VAL 151 CO 0.50 0.21 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.74 3kts s ILE 152 N -1.03 3.18 -0.18 -0.62 -1.09 0.15 -1.37 121.20 120.23 3kts s ILE 152 Ca 0.16 -0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 57.83 3kts s ILE 152 Cb -0.10 -2.28 -0.05 0.00 -1.58 0.00 0.00 42.46 38.44 3kts s ILE 152 CO 0.07 0.57 0.13 0.00 -1.23 0.00 0.00 174.94 174.49 3kts s ALA 153 N -0.39 3.73 0.08 9.38 0.00 -1.07 -0.17 121.76 133.30 3kts s ALA 153 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3kts s ALA 153 Cb -0.12 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3kts s ALA 153 CO 0.02 0.25 -0.07 0.20 0.00 0.00 0.00 175.76 176.16 3kts s GLY 154 N 0.09 0.66 0.00 0.00 0.00 0.08 -1.41 107.32 106.74 3kts s GLY 154 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.66 3kts s GLY 154 CO -0.01 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.46 3kts n GLY 155 N 0.44 0.20 2.60 0.20 0.00 -1.21 -0.88 105.19 106.54 3kts n GLY 155 Ca -0.16 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 3kts n GLY 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kts n LEU 156 N -0.02 -0.37 -4.67 0.99 4.77 -1.26 -1.08 117.00 115.36 3kts n LEU 156 Ca 0.00 0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.79 3kts n LEU 156 Cb 0.00 -2.23 -0.02 0.00 -2.33 0.00 0.00 43.42 38.84 3kts n LEU 156 CO 0.00 -0.82 0.95 -0.63 -1.33 0.00 0.00 177.39 175.55 3kts s ILE 157 N -2.03 4.53 0.00 -0.08 1.09 -1.26 -4.86 121.20 118.58 3kts s ILE 157 Ca 0.00 1.83 0.00 0.00 -1.10 0.00 0.00 60.65 61.38 3kts s ILE 157 Cb 0.00 -4.18 0.00 0.00 -1.06 0.00 0.00 42.46 37.22 3kts s ILE 157 CO 0.00 -0.11 0.00 -0.62 -0.10 0.00 0.00 174.94 174.11 3kts n GLU 158 N 5.99 2.13 -4.27 2.79 1.02 -1.26 -4.68 120.64 122.36 3kts n GLU 158 Ca 0.12 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.03 3kts n GLU 158 Cb 0.46 -0.95 -0.07 0.00 -0.02 0.00 0.00 31.44 30.87 3kts n GLU 158 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kts s THR 159 N -1.90 3.60 0.23 2.62 -4.23 -1.26 -4.74 115.64 109.96 3kts s THR 159 Ca 0.00 -1.83 0.19 0.00 -1.18 0.00 0.00 61.69 58.87 3kts s THR 159 Cb 0.00 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 71.06 3kts s THR 159 CO 0.00 -0.37 1.79 0.28 -0.54 0.00 0.00 174.62 175.78 3kts h SER 160 N 1.84 0.00 -0.75 3.99 0.02 -1.99 -2.58 113.55 114.08 3kts h SER 160 Ca -0.45 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 3kts h SER 160 Cb 1.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 3kts h SER 160 CO 0.60 0.34 0.49 -0.33 -1.14 0.00 0.00 176.83 176.80 3kts h GLU 161 N 0.00 0.92 -0.20 3.45 3.07 -1.98 -0.51 114.58 119.32 3kts h GLU 161 Ca -0.00 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.62 3kts h GLU 161 Cb 0.79 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.50 3kts h GLU 161 CO 0.04 0.61 -0.60 1.96 -1.40 0.00 0.00 179.01 179.63 3kts h GLN 162 N 0.95 0.76 -0.14 2.33 4.20 -1.88 -0.95 115.11 120.38 3kts h GLN 162 Ca 0.29 -0.55 0.01 0.00 0.06 0.00 0.00 58.65 58.46 3kts h GLN 162 Cb -0.01 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3kts h GLN 162 CO -0.08 1.17 0.06 0.28 -0.67 0.00 0.00 178.83 179.59 3kts h VAL 163 N 0.49 0.99 -0.57 -0.54 2.07 -1.18 -2.69 116.25 114.82 3kts h VAL 163 Ca -0.02 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3kts h VAL 163 Cb 1.22 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3kts h VAL 163 CO 0.13 0.02 0.04 0.78 0.02 0.00 0.00 177.57 178.56 3kts h ASN 164 N 0.14 0.92 -0.90 0.57 2.35 -1.15 -1.98 115.58 115.53 3kts h ASN 164 Ca 0.06 -0.23 0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3kts h ASN 164 Cb 0.02 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.07 3kts h ASN 164 CO -0.04 0.96 0.56 1.56 -1.65 0.00 0.00 177.43 178.81 3kts h GLN 165 N 0.89 0.95 0.00 0.81 4.20 -0.91 0.37 115.11 121.42 3kts h GLN 165 Ca 0.17 -0.06 -0.29 0.00 0.06 0.00 0.00 58.65 58.53 3kts h GLN 165 Cb 0.47 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 3kts h GLN 165 CO 0.02 0.63 -1.81 1.55 -0.67 0.00 0.00 178.83 178.55 3kts n VAL 166 N -4.62 1.52 -0.03 -0.54 3.14 -1.04 -2.45 118.33 114.31 3kts n VAL 166 Ca 0.14 -0.80 -0.08 0.00 -2.96 0.00 0.00 64.34 60.65 3kts n VAL 166 Cb 0.23 -0.90 0.09 0.00 -1.06 0.00 0.00 33.84 32.20 3kts n VAL 166 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3kts h ILE 167 N 0.00 1.29 0.00 1.55 2.04 -1.31 -1.79 117.51 119.29 3kts h ILE 167 Ca -0.32 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.01 3kts h ILE 167 Cb 2.01 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3kts h ILE 167 CO 0.07 0.49 0.00 0.00 0.00 0.00 0.00 178.15 178.71 3kts h ALA 168 N 1.05 1.00 -0.00 1.87 0.00 -1.00 -2.50 119.26 119.68 3kts h ALA 168 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kts h ALA 168 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kts h ALA 168 CO 0.08 0.00 -0.44 0.43 0.00 0.00 0.00 179.25 179.32 3kts n SER 169 N -2.75 0.56 0.00 0.00 7.64 -0.78 -4.95 113.62 113.35 3kts n SER 169 Ca 0.00 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.56 3kts n SER 169 Cb 0.23 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3kts n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kts n GLY 170 N 1.47 1.07 3.74 0.23 0.00 -0.84 -3.50 105.19 107.35 3kts n GLY 170 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kts n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kts s ALA 171 N -1.65 3.58 -0.39 4.61 0.00 -0.74 -4.62 121.76 122.55 3kts s ALA 171 Ca 0.00 1.19 0.23 0.00 0.00 0.00 0.00 51.96 53.38 3kts s ALA 171 Cb 0.00 -3.52 0.27 0.00 0.00 0.00 0.00 23.12 19.86 3kts s ALA 171 CO 0.00 -0.63 1.49 0.97 0.00 0.00 0.00 175.76 177.60 3kts h ILE 172 N 3.77 0.03 -2.97 0.00 2.10 -1.55 -3.39 117.51 115.49 3kts h ILE 172 Ca -0.45 -1.04 0.03 0.00 1.08 0.00 0.00 64.86 64.49 3kts h ILE 172 Cb 1.21 1.92 -0.02 0.00 -1.09 0.00 0.00 36.82 38.84 3kts h ILE 172 CO 0.80 0.01 0.27 0.00 -1.08 0.00 0.00 178.15 178.15 3kts s ALA 173 N -3.23 -1.00 -0.06 0.18 0.00 -1.26 -4.81 121.76 111.58 3kts s ALA 173 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3kts s ALA 173 Cb 0.06 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.96 3kts s ALA 173 CO 0.70 -1.01 -0.04 0.08 0.00 0.00 0.00 175.76 175.48 3kts s VAL 174 N -3.05 0.59 -0.16 0.00 1.01 -0.13 -2.61 120.40 116.04 3kts s VAL 174 Ca 0.13 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 3kts s VAL 174 Cb -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3kts s VAL 174 CO 0.09 0.26 0.46 0.42 0.00 0.00 0.00 175.10 176.34 3kts s THR 175 N 1.29 5.17 -0.05 3.92 -4.23 -0.50 0.15 115.64 121.40 3kts s THR 175 Ca -0.05 0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 61.25 3kts s THR 175 Cb -0.14 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.92 3kts s THR 175 CO -0.02 0.26 0.23 0.28 -0.54 0.00 0.00 174.62 174.83 3kts s THR 176 N 1.09 0.04 -2.58 3.99 -1.32 -0.82 -3.35 115.64 112.70 3kts s THR 176 Ca 0.23 -0.32 0.21 0.00 -1.21 0.00 0.00 61.69 60.61 3kts s THR 176 Cb -0.15 -0.44 0.23 0.00 -1.51 0.00 0.00 72.50 70.63 3kts s THR 176 CO 0.09 -0.17 1.22 -1.54 -2.21 0.00 0.00 174.62 172.01 3kts n SER 177 N 2.11 2.93 -4.61 8.08 3.41 -1.26 -0.66 113.62 123.62 3kts n SER 177 Ca -0.18 -1.91 -0.43 0.00 -0.26 0.00 0.00 58.87 56.09 3kts n SER 177 Cb 0.57 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 3kts n SER 177 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kts s ASN 178 N -1.69 6.27 0.43 4.04 3.04 -1.26 -4.87 114.94 120.89 3kts s ASN 178 Ca 0.28 1.28 0.12 0.00 0.04 0.00 0.00 52.86 54.58 3kts s ASN 178 Cb 0.19 -2.53 0.94 0.00 -1.54 0.00 0.00 41.25 38.30 3kts s ASN 178 CO 0.27 -1.41 1.98 0.50 -3.04 0.00 0.00 177.10 175.41 3kts h LYS 179 N 11.16 0.11 0.39 0.43 3.64 -1.96 -3.11 116.57 127.22 3kts h LYS 179 Ca -0.31 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3kts h LYS 179 Cb 1.14 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3kts h LYS 179 CO 1.04 0.24 -0.45 1.25 -2.27 0.00 0.00 179.45 179.26 3kts h HIS 180 N 0.10 -1.24 -1.11 1.91 2.76 -1.95 -3.01 115.15 112.61 3kts h HIS 180 Ca 0.02 0.01 -0.74 0.00 -2.20 0.00 0.00 60.37 57.47 3kts h HIS 180 Cb 0.29 0.49 -0.12 0.00 1.55 0.00 0.00 27.41 29.63 3kts h HIS 180 CO 0.00 -0.60 2.47 1.47 -1.30 0.00 0.00 177.93 179.97 3kts n LEU 181 N -5.52 8.06 -0.02 0.26 -0.00 -1.17 -4.11 117.00 114.49 3kts n LEU 181 Ca -0.10 -4.87 -0.02 0.00 -0.00 0.00 0.00 56.01 51.01 3kts n LEU 181 Cb 0.42 -1.37 -0.03 0.00 -0.00 0.00 0.00 43.42 42.44 3kts n LEU 181 CO 0.26 2.05 -0.65 0.79 -0.00 0.00 0.00 177.39 179.83 3kts n TRP 182 N 1.84 0.00 0.26 1.47 8.01 -1.14 -4.96 117.44 122.92 3kts n TRP 182 Ca 0.63 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.85 3kts n TRP 182 Cb 0.25 -0.22 0.03 0.00 -2.01 0.00 0.00 31.31 29.35 3kts n TRP 182 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07