#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 3.98 -0.09 3.23 2.02 -1.26 -4.95 118.70 121.62 3kts s GLU 2 Ca 0.00 1.49 -0.29 0.00 0.02 0.00 0.00 54.97 56.18 3kts s GLU 2 Cb 0.00 -3.89 -0.06 0.00 0.10 0.00 0.00 34.13 30.28 3kts s GLU 2 CO 0.00 -1.05 1.90 -0.51 0.02 0.00 0.00 175.26 175.62 3kts s LEU 3 N 4.34 4.08 0.00 1.80 1.43 -1.26 -4.70 118.68 124.36 3kts s LEU 3 Ca 0.60 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 3kts s LEU 3 Cb -0.21 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3kts s LEU 3 CO 0.23 -1.28 0.00 -2.65 0.23 0.00 0.00 176.35 172.87 3kts n PRO 4 N 7.78 0.00 -1.31 1.29 -0.02 -1.26 -4.17 135.00 137.31 3kts n PRO 4 Ca 0.21 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.32 3kts n PRO 4 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.89 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 -2.21 2.49 -0.08 6.00 1.16 -1.26 -4.46 117.46 119.10 3kts n PHE 5 Ca 0.00 -2.59 -0.19 0.00 -1.87 0.00 0.00 57.45 52.80 3kts n PHE 5 Cb 0.00 -2.21 -0.12 0.00 -1.61 0.00 0.00 39.48 35.54 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 6.16 0.03 -0.82 5.98 0.02 -1.88 -3.39 113.55 119.65 3kts h SER 6 Ca 0.61 -0.71 -0.50 0.00 -0.84 0.00 0.00 61.79 60.35 3kts h SER 6 Cb 0.46 -0.01 -0.24 0.00 0.14 0.00 0.00 62.40 62.74 3kts h SER 6 CO 1.80 1.33 0.64 0.59 -1.14 0.00 0.00 176.83 180.05 3kts n ASN 7 N -4.45 5.66 -3.91 3.07 5.03 -1.26 -4.73 115.26 114.66 3kts n ASN 7 Ca -0.24 -3.44 -0.29 0.00 0.87 0.00 0.00 54.58 51.48 3kts n ASN 7 Cb 0.63 -0.91 -0.16 0.00 -1.02 0.00 0.00 39.78 38.33 3kts n ASN 7 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3kts s GLN 8 N -2.94 1.50 -0.02 3.52 0.74 -1.26 -5.02 119.66 116.18 3kts s GLN 8 Ca 0.50 -0.79 -0.22 0.00 0.05 0.00 0.00 55.36 54.91 3kts s GLN 8 Cb 0.41 -2.37 -0.23 0.00 1.10 0.00 0.00 33.01 31.91 3kts s GLN 8 CO 0.04 -0.54 1.07 0.77 -0.55 0.00 0.00 175.29 176.07 3kts h SER 9 N 8.03 0.40 -3.38 6.67 0.02 -1.85 -3.41 113.55 120.03 3kts h SER 9 Ca -0.20 -0.76 -0.64 0.00 -0.84 0.00 0.00 61.79 59.35 3kts h SER 9 Cb 1.09 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 63.30 3kts h SER 9 CO 0.41 1.11 -0.64 -0.63 -1.14 0.00 0.00 176.83 175.94 3kts s ILE 10 N -3.18 4.13 -0.41 3.27 1.09 -1.26 0.17 121.20 125.00 3kts s ILE 10 Ca -0.14 -0.26 -0.11 0.00 -1.10 0.00 0.00 60.65 59.04 3kts s ILE 10 Cb 0.02 -2.85 0.06 0.00 -1.06 0.00 0.00 42.46 38.63 3kts s ILE 10 CO 0.79 0.45 0.26 -0.63 -0.10 0.00 0.00 174.94 175.71 3kts s ILE 11 N 0.72 4.46 0.25 2.92 1.01 0.16 -4.90 121.20 125.83 3kts s ILE 11 Ca 0.00 -1.19 -0.31 0.00 0.00 0.00 0.00 60.65 59.15 3kts s ILE 11 Cb -0.14 -3.65 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 3kts s ILE 11 CO 0.02 -0.43 1.64 -0.81 0.00 0.00 0.00 174.94 175.35 3kts n PRO 12 N 4.98 2.67 -4.66 2.79 -0.04 -1.26 -2.10 135.00 137.38 3kts n PRO 12 Ca -0.11 0.96 -0.33 0.00 -0.04 0.00 0.00 63.50 63.98 3kts n PRO 12 Cb 0.44 -2.76 -0.14 0.00 -0.04 0.00 0.00 33.50 31.00 3kts n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kts s ALA 13 N 0.49 2.64 -0.17 0.55 0.00 0.07 -0.17 121.76 125.17 3kts s ALA 13 Ca 0.69 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 3kts s ALA 13 Cb -0.52 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 3kts s ALA 13 CO 0.42 0.17 -0.02 0.00 0.00 0.00 0.00 175.76 176.32 3kts s ALA 14 N 0.48 3.01 -0.16 0.00 0.00 0.10 -4.26 121.76 120.94 3kts s ALA 14 Ca -0.09 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 3kts s ALA 14 Cb -0.16 -1.63 -0.23 0.00 0.00 0.00 0.00 23.12 21.10 3kts s ALA 14 CO 0.04 0.09 0.30 0.72 0.00 0.00 0.00 175.76 176.91 3kts n HIS 15 N 3.77 1.15 -3.30 0.00 8.25 -1.26 -1.29 115.22 122.54 3kts n HIS 15 Ca -0.17 0.34 -0.18 0.00 -0.26 0.00 0.00 57.72 57.44 3kts n HIS 15 Cb 0.52 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.50 3kts n HIS 15 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3kts s ASN 16 N -6.97 5.86 0.18 0.41 0.01 -1.26 -4.21 114.94 108.95 3kts s ASN 16 Ca -0.25 -0.25 -0.10 0.00 -0.71 0.00 0.00 52.86 51.55 3kts s ASN 16 Cb 0.06 -1.05 0.08 0.00 0.41 0.00 0.00 41.25 40.75 3kts s ASN 16 CO 0.69 -0.55 1.68 -0.61 -1.51 0.00 0.00 177.10 176.80 3kts h GLN 17 N 0.79 1.02 0.00 -0.60 4.15 -1.93 -2.92 115.11 115.62 3kts h GLN 17 Ca -0.44 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 58.70 3kts h GLN 17 Cb 1.26 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 3kts h GLN 17 CO 0.50 0.95 -0.05 0.87 -1.93 0.00 0.00 178.83 179.17 3kts h LYS 18 N 0.94 0.00 -0.21 1.69 1.57 -1.99 -0.77 116.57 117.80 3kts h LYS 18 Ca 0.19 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3kts h LYS 18 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3kts h LYS 18 CO 0.01 0.05 -0.29 -0.44 -0.57 0.00 0.00 179.45 178.21 3kts h ASP 19 N 0.00 0.42 0.70 0.86 5.19 -1.91 -2.37 116.42 119.31 3kts h ASP 19 Ca -0.00 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.17 3kts h ASP 19 Cb 0.09 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 3kts h ASP 19 CO 0.01 0.70 -0.45 0.00 -3.12 0.00 0.00 179.24 176.38 3kts h MET 20 N 0.36 0.00 -0.41 3.56 -0.00 -1.05 -1.98 114.93 115.42 3kts h MET 20 Ca 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.70 3kts h MET 20 Cb 0.70 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.28 3kts h MET 20 CO 0.05 0.45 0.07 1.49 -0.00 0.00 0.00 176.91 178.98 3kts h GLU 21 N 0.00 0.67 -0.16 -0.10 4.57 -1.02 -0.49 114.58 118.04 3kts h GLU 21 Ca -0.00 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 57.89 3kts h GLU 21 Cb 0.92 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3kts h GLU 21 CO 0.06 0.71 -0.37 0.87 -1.18 0.00 0.00 179.01 179.10 3kts h LYS 22 N 0.52 0.35 -0.28 1.92 1.79 -1.29 -3.15 116.57 116.44 3kts h LYS 22 Ca 0.12 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3kts h LYS 22 Cb 0.36 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3kts h LYS 22 CO 0.01 0.67 0.00 0.44 -1.08 0.00 0.00 179.45 179.49 3kts n ILE 23 N -4.05 0.35 0.14 1.86 -5.35 -0.76 -3.62 119.36 107.93 3kts n ILE 23 Ca -0.01 -0.56 0.11 0.00 -0.27 0.00 0.00 62.75 62.01 3kts n ILE 23 Cb 0.46 0.74 0.06 0.00 -1.74 0.00 0.00 39.64 39.16 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 3.51 0.00 -3.80 7.28 5.85 -1.04 -3.32 115.31 123.79 3kts h LEU 24 Ca 0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 3kts h LEU 24 Cb 0.77 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.56 3kts h LEU 24 CO 0.00 0.06 0.70 -0.62 -0.34 0.00 0.00 178.44 178.24 3kts n GLU 25 N -2.87 2.33 -4.29 1.25 1.02 -1.24 -4.94 120.64 111.91 3kts n GLU 25 Ca 0.01 -2.68 -0.22 0.00 -0.02 0.00 0.00 57.16 54.24 3kts n GLU 25 Cb 0.57 -2.05 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 3kts n GLU 25 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kts s LEU 26 N -3.09 2.27 0.00 -4.62 1.02 -1.25 -5.03 118.68 107.98 3kts s LEU 26 Ca 0.53 -0.64 0.18 0.00 0.02 0.00 0.00 54.13 54.22 3kts s LEU 26 Cb 0.42 -0.78 1.04 0.00 0.02 0.00 0.00 46.19 46.89 3kts s LEU 26 CO 0.01 0.03 1.68 -0.67 0.02 0.00 0.00 176.35 177.42 3kts n ASP 27 N 1.26 0.12 -4.65 2.29 2.03 -1.26 -4.74 116.55 111.60 3kts n ASP 27 Ca -0.20 -1.46 -0.41 0.00 0.52 0.00 0.00 54.79 53.24 3kts n ASP 27 Cb 0.54 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 3kts n ASP 27 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kts s LEU 28 N -1.56 4.11 0.12 -2.67 1.43 -1.26 -4.98 118.68 113.87 3kts s LEU 28 Ca 0.27 0.97 -0.09 0.00 -1.03 0.00 0.00 54.13 54.25 3kts s LEU 28 Cb 0.13 -3.08 -0.11 0.00 0.03 0.00 0.00 46.19 43.16 3kts s LEU 28 CO 0.21 -0.41 1.32 0.00 0.23 0.00 0.00 176.35 177.69 3kts h THR 29 N 5.32 1.32 -3.13 5.49 1.03 -1.90 -3.46 112.91 117.58 3kts h THR 29 Ca -0.27 -2.12 -0.59 0.00 -0.01 0.00 0.00 66.41 63.43 3kts h THR 29 Cb 1.12 2.14 -0.04 0.00 -1.07 0.00 0.00 68.15 70.30 3kts h THR 29 CO 0.83 0.66 -0.33 -0.31 -0.01 0.00 0.00 175.52 176.35 3kts s TYR 30 N -3.58 3.49 0.18 0.00 1.51 -1.26 -1.61 117.35 116.07 3kts s TYR 30 Ca -0.08 0.54 -0.10 0.00 -1.01 0.00 0.00 57.07 56.41 3kts s TYR 30 Cb 0.09 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 3kts s TYR 30 CO 0.89 0.46 0.33 0.00 -1.11 0.00 0.00 175.55 176.11 3kts s MET 31 N -2.57 1.22 -0.09 -0.62 0.23 -0.53 -4.17 119.30 112.76 3kts s MET 31 Ca 0.40 -1.16 0.02 0.00 -1.03 0.00 0.00 55.69 53.92 3kts s MET 31 Cb -0.12 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.59 3kts s MET 31 CO 0.24 -0.46 -0.16 0.08 -2.03 0.00 0.00 175.02 172.69 3kts s VAL 32 N -3.97 1.47 -0.26 5.16 1.01 0.76 -0.74 120.40 123.83 3kts s VAL 32 Ca 0.17 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3kts s VAL 32 Cb 0.02 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3kts s VAL 32 CO 0.01 0.43 0.09 -0.32 0.00 0.00 0.00 175.10 175.31 3kts s MET 33 N 0.75 3.61 0.00 2.72 1.75 -0.13 0.03 119.30 128.04 3kts s MET 33 Ca -0.12 -0.51 0.00 0.00 -1.25 0.00 0.00 55.69 53.81 3kts s MET 33 Cb -0.16 -3.39 0.00 0.00 2.84 0.00 0.00 34.83 34.13 3kts s MET 33 CO 0.02 -0.23 0.00 1.28 -0.65 0.00 0.00 175.02 175.44 3kts n LEU 34 N 4.94 0.75 -4.63 4.11 4.77 -0.41 -1.31 117.00 125.21 3kts n LEU 34 Ca -0.16 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.44 3kts n LEU 34 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3kts n LEU 34 CO 0.31 0.00 0.05 -0.70 -1.33 0.00 0.00 177.39 175.73 3kts s GLU 35 N 0.00 4.08 0.12 3.23 2.12 -1.26 -4.50 118.70 122.49 3kts s GLU 35 Ca 0.00 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.43 3kts s GLU 35 Cb 0.00 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 3kts s GLU 35 CO 0.00 -0.16 -0.09 0.95 -0.54 0.00 0.00 175.26 175.43 3kts s THR 36 N 1.69 0.95 -0.16 -1.70 -4.23 -0.90 -4.76 115.64 106.54 3kts s THR 36 Ca 0.16 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 3kts s THR 36 Cb -0.15 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 3kts s THR 36 CO 0.09 -0.79 -0.01 -1.00 -0.54 0.00 0.00 174.62 172.37 3kts s HIS 37 N -3.41 3.10 0.37 3.99 0.09 -1.26 -0.83 115.29 117.34 3kts s HIS 37 Ca 0.14 -0.16 0.09 0.00 -0.00 0.00 0.00 55.06 55.14 3kts s HIS 37 Cb 0.03 -1.98 0.84 0.00 -0.00 0.00 0.00 32.58 31.48 3kts s HIS 37 CO -0.02 0.05 1.91 -0.24 -0.00 0.00 0.00 174.74 176.45 3kts h VAL 38 N 5.00 0.89 -0.05 -0.90 3.04 -1.66 0.25 116.25 122.82 3kts h VAL 38 Ca -0.34 -0.22 -0.03 0.00 -1.01 0.00 0.00 66.70 65.10 3kts h VAL 38 Cb 1.18 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 3kts h VAL 38 CO 0.65 0.12 -0.10 0.00 -1.01 0.00 0.00 177.57 177.23 3kts h ALA 39 N 1.61 1.75 -0.01 3.17 0.00 -1.96 -2.88 119.26 120.95 3kts h ALA 39 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kts h ALA 39 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kts h ALA 39 CO -0.15 0.19 -0.52 1.04 0.00 0.00 0.00 179.25 179.80 3kts n GLN 40 N -4.39 1.20 0.25 0.00 6.02 -0.05 -4.77 117.38 115.64 3kts n GLN 40 Ca -0.02 -0.80 -0.16 0.00 -0.01 0.00 0.00 57.00 56.02 3kts n GLN 40 Cb 0.19 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 29.95 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 1.90 -0.66 -0.42 1.08 5.85 -0.97 -1.38 115.31 120.71 3kts h LEU 41 Ca 0.00 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3kts h LEU 41 Cb 0.67 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 3kts h LEU 41 CO 0.00 -0.41 0.05 0.50 -0.34 0.00 0.00 178.44 178.24 3kts h LYS 42 N -0.65 0.17 -0.99 1.25 3.64 -1.86 -1.45 116.57 116.68 3kts h LYS 42 Ca -0.04 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3kts h LYS 42 Cb 0.54 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 3kts h LYS 42 CO 0.04 0.11 0.64 0.00 -2.27 0.00 0.00 179.45 177.97 3kts h ALA 43 N 1.34 1.39 -0.17 5.00 0.00 -1.80 -1.01 119.26 124.00 3kts h ALA 43 Ca 0.20 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3kts h ALA 43 Cb 0.27 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kts h ALA 43 CO -0.30 0.40 -0.65 -0.07 0.00 0.00 0.00 179.25 178.63 3kts h LEU 44 N 1.14 0.87 0.07 0.00 3.38 -0.65 -2.67 115.31 117.44 3kts h LEU 44 Ca 0.44 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kts h LEU 44 Cb 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kts h LEU 44 CO -0.19 1.33 -0.03 0.58 0.09 0.00 0.00 178.44 180.22 3kts h VAL 45 N 0.46 1.18 -0.65 1.22 2.07 -1.01 -2.54 116.25 116.99 3kts h VAL 45 Ca -0.03 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 3kts h VAL 45 Cb 1.28 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3kts h VAL 45 CO 0.14 0.22 0.24 0.11 0.02 0.00 0.00 177.57 178.29 3kts h LYS 46 N -0.49 0.97 -0.30 1.57 1.79 -1.30 -1.57 116.57 117.24 3kts h LYS 46 Ca -0.01 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 58.14 3kts h LYS 46 Cb 0.43 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 3kts h LYS 46 CO 0.02 0.81 -0.42 -0.92 -1.08 0.00 0.00 179.45 177.85 3kts h TYR 47 N 0.95 0.87 -0.00 -1.35 3.20 -1.51 -0.90 116.97 118.23 3kts h TYR 47 Ca 0.22 -0.26 -0.12 0.00 3.14 0.00 0.00 58.73 61.71 3kts h TYR 47 Cb 0.21 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3kts h TYR 47 CO 0.02 1.02 -0.56 0.00 -1.64 0.00 0.00 178.16 177.00 3kts h ALA 48 N 0.94 1.07 -0.03 1.82 0.00 -1.17 -0.32 119.26 121.59 3kts h ALA 48 Ca 0.04 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 3kts h ALA 48 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3kts h ALA 48 CO 0.09 0.70 -0.76 1.96 0.00 0.00 0.00 179.25 181.24 3kts h GLN 49 N 0.00 0.20 0.00 0.00 4.20 -1.13 -1.18 115.11 117.20 3kts h GLN 49 Ca -0.01 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 3kts h GLN 49 Cb 0.99 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 3kts h GLN 49 CO 0.07 0.87 -0.54 0.00 -0.67 0.00 0.00 178.83 178.56 3kts h ALA 50 N 1.08 1.01 0.00 3.87 0.00 -0.81 -2.56 119.26 121.85 3kts h ALA 50 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kts h ALA 50 Cb 1.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kts h ALA 50 CO 0.12 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.45 3kts n GLY 51 N 0.20 -0.81 1.81 0.00 0.00 -0.16 -4.89 105.19 101.35 3kts n GLY 51 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 0.58 0.55 3.07 -0.02 0.00 -0.96 -5.05 105.19 103.36 3kts n GLY 52 Ca 0.17 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.00 1.06 -0.09 1.61 -0.14 -0.45 -4.89 119.74 111.83 3kts s LYS 53 Ca 0.09 -0.43 -0.15 0.00 -1.36 0.00 0.00 55.97 54.12 3kts s LYS 53 Cb -0.04 -1.01 -0.05 0.00 -1.68 0.00 0.00 37.83 35.05 3kts s LYS 53 CO 0.15 0.24 0.36 0.15 -0.76 0.00 0.00 175.35 175.49 3kts s LYS 54 N -0.18 4.09 -0.21 1.68 1.02 -0.64 -3.47 119.74 122.03 3kts s LYS 54 Ca 0.03 0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.23 3kts s LYS 54 Cb -0.06 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3kts s LYS 54 CO -0.00 0.43 0.00 0.08 -0.92 0.00 0.00 175.35 174.94 3kts s VAL 55 N -0.17 3.91 -0.43 3.17 1.01 -1.26 -1.46 120.40 125.16 3kts s VAL 55 Ca 0.21 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3kts s VAL 55 Cb -0.15 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.51 3kts s VAL 55 CO 0.09 0.41 0.32 -0.76 0.00 0.00 0.00 175.10 175.17 3kts s LEU 56 N 1.16 5.30 -0.18 3.92 1.43 0.08 -0.19 118.68 130.20 3kts s LEU 56 Ca 0.03 -1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 51.85 3kts s LEU 56 Cb -0.14 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 3kts s LEU 56 CO 0.01 -0.54 0.11 -0.22 0.23 0.00 0.00 176.35 175.94 3kts s LEU 57 N 1.61 4.13 -0.61 1.79 2.96 0.14 -0.95 118.68 127.74 3kts s LEU 57 Ca 0.04 0.23 -0.27 0.00 -0.22 0.00 0.00 54.13 53.91 3kts s LEU 57 Cb -0.22 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3kts s LEU 57 CO 0.07 0.22 1.16 -2.28 -1.32 0.00 0.00 176.35 174.20 3kts s HIS 58 N 0.09 2.57 0.35 5.38 5.65 -0.43 -0.78 115.29 128.13 3kts s HIS 58 Ca 0.08 0.21 0.34 0.00 0.25 0.00 0.00 55.06 55.94 3kts s HIS 58 Cb -0.11 -4.46 1.63 0.00 -1.18 0.00 0.00 32.58 28.46 3kts s HIS 58 CO -0.00 -1.65 2.10 0.00 -0.65 0.00 0.00 174.74 174.53 3kts h ALA 59 N 9.61 1.09 0.00 1.58 0.00 -1.42 -2.81 119.26 127.31 3kts h ALA 59 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kts h ALA 59 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kts h ALA 59 CO 1.19 0.07 -0.45 -0.44 0.00 0.00 0.00 179.25 179.62 3kts h ASP 60 N 0.00 0.00 -0.19 0.00 3.45 -1.91 -3.38 116.42 114.39 3kts h ASP 60 Ca -0.00 -0.12 -0.10 0.00 0.43 0.00 0.00 57.03 57.24 3kts h ASP 60 Cb 0.34 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.05 3kts h ASP 60 CO 0.01 0.06 -0.29 0.18 -1.57 0.00 0.00 179.24 177.62 3kts n LEU 61 N -2.29 3.47 -4.37 1.55 4.77 -1.06 -4.92 117.00 114.16 3kts n LEU 61 Ca 0.04 -3.87 -0.45 0.00 -0.03 0.00 0.00 56.01 51.70 3kts n LEU 61 Cb 0.46 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 3kts n LEU 61 CO 0.35 1.36 0.11 -0.69 -1.33 0.00 0.00 177.39 177.18 3kts s VAL 62 N -3.28 5.18 0.08 4.08 1.01 -1.26 -2.11 120.40 124.10 3kts s VAL 62 Ca 0.42 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 3kts s VAL 62 Cb 0.39 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3kts s VAL 62 CO -0.04 -0.71 1.77 0.20 0.00 0.00 0.00 175.10 176.32 3kts s ASN 63 N 2.97 6.51 0.00 3.32 0.01 -0.01 -1.32 114.94 126.42 3kts s ASN 63 Ca 0.05 2.61 0.00 0.00 -0.71 0.00 0.00 52.86 54.81 3kts s ASN 63 Cb -0.26 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.85 3kts s ASN 63 CO 0.06 -0.96 0.00 0.61 -1.51 0.00 0.00 177.10 175.30 3kts n GLY 64 N 4.18 3.24 3.47 0.66 0.00 -1.26 -1.83 105.19 113.64 3kts n GLY 64 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 2.99 0.00 0.99 2.96 -0.43 -5.02 118.68 120.16 3kts s LEU 65 Ca 0.00 -0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 53.56 3kts s LEU 65 Cb 0.00 -1.68 0.24 0.00 0.50 0.00 0.00 46.19 45.24 3kts s LEU 65 CO 0.00 0.22 0.87 0.29 -1.32 0.00 0.00 176.35 176.42 3kts n LYS 66 N 3.16 -2.57 -0.59 1.98 5.02 -1.26 -4.63 118.16 119.27 3kts n LYS 66 Ca -0.18 -1.39 0.06 0.00 -2.02 0.00 0.00 58.31 54.78 3kts n LYS 66 Cb 0.53 -1.27 0.19 0.00 -0.02 0.00 0.00 35.03 34.45 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 -4.41 1.73 -4.20 4.39 0.23 -1.26 -4.80 115.26 106.93 3kts n ASN 67 Ca 0.12 -3.65 -0.35 0.00 -0.53 0.00 0.00 54.58 50.17 3kts n ASN 67 Cb 0.46 -0.50 0.10 0.00 -2.08 0.00 0.00 39.78 37.76 3kts n ASN 67 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kts n ASP 68 N -1.04 -3.33 -0.32 0.53 10.43 -1.26 -4.65 116.55 116.91 3kts n ASP 68 Ca 0.18 0.11 -0.00 0.00 2.57 0.00 0.00 54.79 57.65 3kts n ASP 68 Cb 0.71 -0.90 0.18 0.00 1.84 0.00 0.00 41.12 42.95 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 -1.45 1.02 -0.83 -2.24 3.32 -1.97 -1.45 116.42 112.83 3kts h ASP 69 Ca -0.45 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.62 3kts h ASP 69 Cb 1.33 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 3kts h ASP 69 CO 0.30 0.72 0.53 1.88 -1.72 0.00 0.00 179.24 180.95 3kts h TYR 70 N 1.20 0.98 -0.01 4.55 -1.99 -1.99 0.97 116.97 120.68 3kts h TYR 70 Ca 0.35 0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.93 3kts h TYR 70 Cb -0.08 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.31 3kts h TYR 70 CO -0.00 0.55 -0.79 0.00 -0.00 0.00 0.00 178.16 177.92 3kts h ALA 71 N 1.36 0.65 -0.42 3.88 0.00 -1.80 -2.41 119.26 120.51 3kts h ALA 71 Ca 0.34 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3kts h ALA 71 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kts h ALA 71 CO -0.13 0.90 -0.26 0.82 0.00 0.00 0.00 179.25 180.58 3kts h ILE 72 N 0.08 1.27 -0.46 0.00 1.08 -0.77 -1.31 117.51 117.40 3kts h ILE 72 Ca -0.03 -1.41 0.07 0.00 -0.39 0.00 0.00 64.86 63.11 3kts h ILE 72 Cb 1.39 1.22 -0.06 0.00 -3.07 0.00 0.00 36.82 36.29 3kts h ILE 72 CO 0.12 0.48 0.10 0.44 -0.69 0.00 0.00 178.15 178.59 3kts h ASP 73 N 0.76 0.03 -0.94 1.72 3.32 -0.72 -1.53 116.42 119.05 3kts h ASP 73 Ca 0.09 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3kts h ASP 73 Cb 0.81 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 3kts h ASP 73 CO 0.07 0.05 0.62 0.15 -1.72 0.00 0.00 179.24 178.41 3kts h PHE 74 N 0.24 1.18 -0.40 4.55 3.04 -1.14 0.33 116.94 124.74 3kts h PHE 74 Ca 0.23 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.09 3kts h PHE 74 Cb 0.28 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 3kts h PHE 74 CO -0.21 0.73 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.53 3kts h LEU 75 N 1.26 0.81 0.17 0.59 3.38 -0.91 -1.13 115.31 119.49 3kts h LEU 75 Ca 0.35 -0.29 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 3kts h LEU 75 Cb -0.12 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 40.44 3kts h LEU 75 CO -0.08 1.00 -1.01 0.00 0.09 0.00 0.00 178.44 178.44 3kts n THR 77 N -4.01 1.70 -0.03 0.00 -2.24 0.11 -4.14 114.28 105.69 3kts n THR 77 Ca -0.15 -0.72 0.02 0.00 -2.27 0.00 0.00 64.05 60.94 3kts n THR 77 Cb 0.91 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.61 3kts n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kts n GLU 78 N -3.29 0.96 -0.11 -0.78 1.02 -0.52 -4.76 120.64 113.17 3kts n GLU 78 Ca -0.26 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.62 3kts n GLU 78 Cb 1.05 -1.32 -0.10 0.00 -0.02 0.00 0.00 31.44 31.05 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 -2.14 1.27 -3.35 -3.67 -0.00 -0.67 -4.98 119.36 105.83 3kts n ILE 79 Ca -0.09 -0.44 -0.11 0.00 -0.00 0.00 0.00 62.75 62.12 3kts n ILE 79 Cb 0.55 -1.45 0.00 0.00 -0.00 0.00 0.00 39.64 38.74 3kts n ILE 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kts s PRO 81 N -3.73 1.43 0.00 0.00 0.04 -1.26 -4.95 135.00 126.54 3kts s PRO 81 Ca 0.02 -0.22 0.28 0.00 0.04 0.00 0.00 61.00 61.12 3kts s PRO 81 Cb -0.00 -1.96 1.34 0.00 0.04 0.00 0.00 34.50 33.92 3kts s PRO 81 CO 0.81 -1.88 1.94 -0.25 0.04 0.00 0.00 177.00 177.65 3kts n ASP 82 N -3.43 0.00 -3.63 6.66 8.00 0.74 -4.85 116.55 120.04 3kts n ASP 82 Ca 0.11 0.08 -0.03 0.00 0.71 0.00 0.00 54.79 55.67 3kts n ASP 82 Cb 0.60 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 3kts n ASP 82 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kts s GLY 83 N -2.71 -0.22 0.11 0.44 0.00 -0.77 -4.19 107.32 99.97 3kts s GLY 83 Ca 0.22 1.83 0.09 0.00 0.00 0.00 0.00 44.72 46.87 3kts s GLY 83 CO 0.45 0.61 -0.23 -0.26 0.00 0.00 0.00 173.10 173.67 3kts s ILE 84 N -2.14 1.94 -0.18 0.90 -4.36 -0.26 -0.69 121.20 116.41 3kts s ILE 84 Ca 0.11 -1.62 -0.02 0.00 -0.26 0.00 0.00 60.65 58.86 3kts s ILE 84 Cb -0.01 -1.74 -0.01 0.00 1.25 0.00 0.00 42.46 41.96 3kts s ILE 84 CO -0.03 0.01 -0.10 -0.63 0.24 0.00 0.00 174.94 174.43 3kts s ILE 85 N -1.11 3.04 0.05 8.37 1.01 0.04 -1.12 121.20 131.48 3kts s ILE 85 Ca 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 3kts s ILE 85 Cb -0.10 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 3kts s ILE 85 CO 0.05 0.48 0.02 -0.55 0.00 0.00 0.00 174.94 174.93 3kts s SER 86 N 1.09 0.37 0.07 3.58 0.15 -0.51 -1.02 113.70 117.43 3kts s SER 86 Ca 0.00 -0.83 0.22 0.00 0.70 0.00 0.00 55.95 56.04 3kts s SER 86 Cb -0.15 0.21 -0.17 0.00 -1.71 0.00 0.00 66.02 64.20 3kts s SER 86 CO -0.02 -0.57 0.73 1.07 1.20 0.00 0.00 173.24 175.65 3kts n THR 87 N 0.35 0.43 -3.65 6.45 5.66 -1.26 0.19 114.28 122.45 3kts n THR 87 Ca -0.16 -0.55 -0.36 0.00 -3.05 0.00 0.00 64.05 59.93 3kts n THR 87 Cb 0.60 -0.23 -0.08 0.00 -1.55 0.00 0.00 70.33 69.07 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 -3.36 4.18 0.25 1.09 3.52 -1.26 -4.79 118.95 118.58 3kts s ARG 88 Ca -0.04 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.39 3kts s ARG 88 Cb 0.11 -3.45 0.36 0.00 -1.56 0.00 0.00 34.95 30.41 3kts s ARG 88 CO 0.85 0.22 1.86 0.78 -0.81 0.00 0.00 175.30 178.19 3kts h GLY 89 N 6.90 1.37 1.47 8.12 0.00 -1.95 -2.07 103.07 116.92 3kts h GLY 89 Ca -0.40 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 3kts h GLY 89 CO 0.74 0.28 0.25 3.43 0.00 0.00 0.00 176.54 181.24 3kts h ASN 90 N 1.03 0.62 -0.15 0.19 4.21 -1.96 -1.54 115.58 117.99 3kts h ASN 90 Ca 0.40 -0.05 -0.13 0.00 1.21 0.00 0.00 56.30 57.72 3kts h ASN 90 Cb 0.18 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 3kts h ASN 90 CO -0.18 0.52 -0.36 0.00 -1.29 0.00 0.00 177.43 176.12 3kts h ALA 91 N 1.58 0.82 -0.12 -0.83 0.00 -1.65 -2.40 119.26 116.67 3kts h ALA 91 Ca 0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kts h ALA 91 Cb 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kts h ALA 91 CO -0.03 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.66 3kts h ILE 92 N 0.56 1.29 -0.28 0.00 1.08 -1.00 -1.97 117.51 117.18 3kts h ILE 92 Ca 0.06 -0.95 0.02 0.00 -0.39 0.00 0.00 64.86 63.60 3kts h ILE 92 Cb 0.87 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.28 3kts h ILE 92 CO 0.08 0.27 0.12 0.24 -0.69 0.00 0.00 178.15 178.17 3kts h MET 93 N -0.09 0.26 -0.30 2.37 2.86 -1.34 -2.73 114.93 115.96 3kts h MET 93 Ca 0.03 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3kts h MET 93 Cb 0.44 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3kts h MET 93 CO 0.01 0.17 -0.12 -0.22 1.06 0.00 0.00 176.91 177.81 3kts h LYS 94 N 0.27 0.52 -0.77 1.72 1.63 -1.43 -2.85 116.57 115.65 3kts h LYS 94 Ca 0.12 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 3kts h LYS 94 Cb 0.06 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3kts h LYS 94 CO -0.10 0.63 0.38 0.00 -3.45 0.00 0.00 179.45 176.92 3kts h ALA 95 N 1.40 0.99 -0.02 5.00 0.00 -1.12 -2.99 119.26 122.51 3kts h ALA 95 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3kts h ALA 95 Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kts h ALA 95 CO 0.03 0.54 -0.34 0.87 0.00 0.00 0.00 179.25 180.35 3kts h LYS 96 N 1.08 0.04 -0.64 0.00 1.57 -1.25 0.28 116.57 117.64 3kts h LYS 96 Ca 0.27 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kts h LYS 96 Cb 0.10 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3kts h LYS 96 CO -0.04 0.37 0.38 1.96 -0.57 0.00 0.00 179.45 181.56 3kts h GLN 97 N 0.03 0.86 -0.56 3.15 4.20 -1.45 -1.27 115.11 120.07 3kts h GLN 97 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3kts h GLN 97 Cb 0.61 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3kts h GLN 97 CO 0.04 0.60 0.00 0.72 -0.67 0.00 0.00 178.83 179.53 3kts n HIS 98 N -4.41 0.82 -3.79 2.96 8.25 -0.88 -4.93 115.22 113.24 3kts n HIS 98 Ca 0.06 -0.34 -0.24 0.00 -0.26 0.00 0.00 57.72 56.95 3kts n HIS 98 Cb 0.07 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.07 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 0.61 -4.64 -3.56 -0.41 4.76 -0.48 -5.01 118.16 109.44 3kts n LYS 99 Ca 0.15 0.57 -0.35 0.00 -2.87 0.00 0.00 58.31 55.81 3kts n LYS 99 Cb 0.53 -5.09 -0.05 0.00 -1.84 0.00 0.00 35.03 28.58 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 -6.21 3.77 -0.53 1.97 -1.94 0.04 -4.99 119.30 111.40 3kts s MET 100 Ca 0.12 0.19 -0.26 0.00 -1.71 0.00 0.00 55.69 54.02 3kts s MET 100 Cb -0.06 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.76 3kts s MET 100 CO 0.83 0.55 2.09 -1.17 -0.01 0.00 0.00 175.02 177.31 3kts s LEU 101 N -1.95 3.36 -0.57 -0.03 0.20 -1.26 -4.34 118.68 114.08 3kts s LEU 101 Ca 0.34 0.75 -0.19 0.00 0.69 0.00 0.00 54.13 55.72 3kts s LEU 101 Cb -0.14 -2.61 0.10 0.00 -0.43 0.00 0.00 46.19 43.11 3kts s LEU 101 CO 0.18 -2.53 0.67 0.00 -0.29 0.00 0.00 176.35 174.38 3kts s ALA 102 N 10.21 3.43 -0.26 5.97 0.00 -1.26 -1.10 121.76 138.74 3kts s ALA 102 Ca 0.81 -2.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 3kts s ALA 102 Cb -0.16 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 3kts s ALA 102 CO 0.24 -2.26 0.46 0.42 0.00 0.00 0.00 175.76 174.63 3kts s ILE 103 N 2.56 5.11 -0.20 0.00 1.01 -0.27 -1.09 121.20 128.32 3kts s ILE 103 Ca 0.11 0.77 -0.19 0.00 0.00 0.00 0.00 60.65 61.34 3kts s ILE 103 Cb -0.24 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3kts s ILE 103 CO 0.07 0.11 0.53 -1.58 0.00 0.00 0.00 174.94 174.07 3kts s GLN 104 N 2.21 4.19 0.02 2.79 0.74 -0.02 -1.43 119.66 128.16 3kts s GLN 104 Ca 0.19 0.44 -0.23 0.00 0.05 0.00 0.00 55.36 55.81 3kts s GLN 104 Cb -0.16 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.34 3kts s GLN 104 CO 0.09 -0.16 0.68 0.50 -0.55 0.00 0.00 175.29 175.86 3kts s ARG 105 N 1.66 4.41 -0.05 1.67 3.52 0.13 -0.41 118.95 129.88 3kts s ARG 105 Ca 0.25 0.90 0.01 0.00 -0.13 0.00 0.00 55.73 56.76 3kts s ARG 105 Cb -0.15 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3kts s ARG 105 CO 0.10 0.31 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.68 3kts s LEU 106 N -0.08 1.31 -0.18 -0.88 2.96 -0.10 -4.50 118.68 117.20 3kts s LEU 106 Ca 0.35 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.92 3kts s LEU 106 Cb -0.19 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 3kts s LEU 106 CO 0.20 -0.06 0.50 -0.36 -1.32 0.00 0.00 176.35 175.32 3kts s PHE 107 N 1.00 3.41 -1.44 5.38 0.08 -1.26 -1.59 117.98 123.55 3kts s PHE 107 Ca -0.10 0.79 -0.09 0.00 0.12 0.00 0.00 56.93 57.66 3kts s PHE 107 Cb -0.14 -2.63 0.04 0.00 -0.57 0.00 0.00 43.02 39.72 3kts s PHE 107 CO -0.00 -0.03 2.50 -1.33 -0.10 0.00 0.00 175.22 176.26 3kts n MET 108 N 4.49 3.91 -0.06 0.44 2.81 0.19 -4.65 117.12 124.24 3kts n MET 108 Ca -0.05 -2.91 -0.05 0.00 -1.81 0.00 0.00 57.70 52.88 3kts n MET 108 Cb 0.51 -2.82 -0.04 0.00 -0.71 0.00 0.00 33.22 30.15 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 3.10 0.59 -2.47 2.02 2.04 -1.93 -3.44 117.51 117.42 3kts h ILE 109 Ca 0.70 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3kts h ILE 109 Cb 0.39 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3kts h ILE 109 CO 1.67 0.20 0.02 -0.90 0.00 0.00 0.00 178.15 179.14 3kts n ASP 110 N -4.71 -0.58 0.11 1.72 5.68 -1.26 -5.04 116.55 112.46 3kts n ASP 110 Ca -0.04 -1.55 -0.02 0.00 -0.50 0.00 0.00 54.79 52.68 3kts n ASP 110 Cb 0.18 1.01 0.22 0.00 -1.14 0.00 0.00 41.12 41.39 3kts n ASP 110 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kts h SER 111 N 0.62 0.21 -0.57 -1.12 4.64 -1.98 -1.19 113.55 114.16 3kts h SER 111 Ca -0.10 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 3kts h SER 111 Cb 0.38 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3kts h SER 111 CO 0.13 0.64 -0.06 -1.28 -0.87 0.00 0.00 176.83 175.39 3kts h SER 112 N 0.16 1.04 1.14 4.97 0.87 -1.99 -0.33 113.55 119.42 3kts h SER 112 Ca 0.01 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.15 3kts h SER 112 Cb 0.87 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3kts h SER 112 CO 0.07 1.13 -0.42 0.00 -0.53 0.00 0.00 176.83 177.08 3kts h ALA 113 N 0.95 0.85 -0.12 6.23 0.00 -1.87 -1.46 119.26 123.83 3kts h ALA 113 Ca 0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3kts h ALA 113 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kts h ALA 113 CO 0.04 0.52 -0.36 -0.92 0.00 0.00 0.00 179.25 178.54 3kts h TYR 114 N 0.00 0.59 -0.03 0.00 3.20 -1.01 -1.77 116.97 117.96 3kts h TYR 114 Ca -0.00 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.61 3kts h TYR 114 Cb 1.10 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 3kts h TYR 114 CO 0.00 0.97 -0.04 -0.91 -1.64 0.00 0.00 178.16 176.53 3kts h ASN 115 N 0.04 0.09 -0.25 -2.11 2.35 -1.02 -0.88 115.58 113.80 3kts h ASN 115 Ca -0.01 -0.54 -0.02 0.00 -0.55 0.00 0.00 56.30 55.17 3kts h ASN 115 Cb 0.97 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 3kts h ASN 115 CO 0.08 0.61 0.09 0.11 -1.65 0.00 0.00 177.43 176.67 3kts h LYS 116 N -0.43 0.46 0.48 0.81 1.57 -1.41 -2.51 116.57 115.53 3kts h LYS 116 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3kts h LYS 116 Cb 0.59 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3kts h LYS 116 CO 0.01 0.41 -0.24 0.78 -0.57 0.00 0.00 179.45 179.84 3kts h GLY 117 N 0.66 -0.73 0.70 3.86 0.00 -1.14 -1.44 103.07 104.99 3kts h GLY 117 Ca 0.11 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.82 3kts h GLY 117 CO -0.01 -0.26 0.57 -0.39 0.00 0.00 0.00 176.54 176.45 3kts h VAL 118 N -0.66 0.94 -0.69 4.60 -1.51 -1.16 0.31 116.25 118.09 3kts h VAL 118 Ca -0.07 -0.28 -0.04 0.00 -1.23 0.00 0.00 66.70 65.08 3kts h VAL 118 Cb 0.51 0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 29.68 3kts h VAL 118 CO 0.10 0.15 0.29 0.00 -1.23 0.00 0.00 177.57 176.88 3kts h ALA 119 N 1.57 0.90 -0.24 5.19 0.00 -1.46 0.14 119.26 125.36 3kts h ALA 119 Ca 0.41 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3kts h ALA 119 Cb 0.47 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kts h ALA 119 CO -0.18 0.51 -0.32 1.25 0.00 0.00 0.00 179.25 180.51 3kts h LEU 120 N 0.98 0.69 -0.94 0.00 5.85 -0.14 -1.73 115.31 120.02 3kts h LEU 120 Ca 0.23 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3kts h LEU 120 Cb 0.19 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3kts h LEU 120 CO -0.02 1.06 0.61 0.40 -0.34 0.00 0.00 178.44 180.15 3kts h ILE 121 N 0.34 1.14 -0.07 4.05 2.04 -0.86 -1.33 117.51 122.83 3kts h ILE 121 Ca 0.03 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3kts h ILE 121 Cb 0.90 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3kts h ILE 121 CO 0.08 0.21 0.00 -0.61 0.00 0.00 0.00 178.15 177.83 3kts h GLN 122 N 1.17 0.03 -0.36 2.37 5.75 -0.89 -0.94 115.11 122.23 3kts h GLN 122 Ca 0.38 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 3kts h GLN 122 Cb 0.04 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3kts h GLN 122 CO -0.13 0.02 0.10 -0.22 -2.65 0.00 0.00 178.83 175.95 3kts h LYS 123 N 0.03 0.57 0.00 1.69 3.64 -0.70 -3.31 116.57 118.49 3kts h LYS 123 Ca 0.03 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3kts h LYS 123 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3kts h LYS 123 CO -0.05 0.60 -1.57 1.33 -2.27 0.00 0.00 179.45 177.49 3kts n VAL 124 N -4.62 0.07 -3.33 2.00 0.24 -0.56 -5.05 118.33 107.08 3kts n VAL 124 Ca -0.01 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.34 61.72 3kts n VAL 124 Cb 0.18 0.22 0.02 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.09 -1.84 -1.67 7.34 1.13 -0.36 -4.77 117.38 115.12 3kts n GLN 125 Ca -0.01 1.45 -0.30 0.00 -1.94 0.00 0.00 57.00 56.20 3kts n GLN 125 Cb 0.50 -3.69 0.07 0.00 0.11 0.00 0.00 30.24 27.23 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 -3.20 2.50 0.34 -1.09 0.04 -1.26 -4.95 135.00 127.38 3kts s PRO 126 Ca 0.19 0.63 0.13 0.00 0.04 0.00 0.00 61.00 62.00 3kts s PRO 126 Cb -0.03 -1.97 0.60 0.00 0.04 0.00 0.00 34.50 33.15 3kts s PRO 126 CO 0.83 -1.32 1.74 -0.44 0.04 0.00 0.00 177.00 177.85 3kts h ASP 127 N -0.87 0.00 -5.08 6.66 3.32 -1.48 -3.46 116.42 115.51 3kts h ASP 127 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3kts h ASP 127 Cb 1.25 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.69 3kts h ASP 127 CO 0.60 0.46 0.01 0.00 -1.72 0.00 0.00 179.24 178.59 3kts s ILE 129 N -3.85 1.10 -0.47 0.00 -4.36 -0.72 -0.84 121.20 112.07 3kts s ILE 129 Ca 0.07 -0.46 -0.17 0.00 -0.26 0.00 0.00 60.65 59.83 3kts s ILE 129 Cb -0.00 -1.01 0.05 0.00 1.25 0.00 0.00 42.46 42.75 3kts s ILE 129 CO -0.06 0.35 0.49 -0.70 0.24 0.00 0.00 174.94 175.26 3kts s GLU 130 N 0.67 3.07 0.07 0.37 2.12 0.46 0.69 118.70 126.14 3kts s GLU 130 Ca -0.14 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 53.97 3kts s GLU 130 Cb -0.16 -4.06 -0.06 0.00 0.26 0.00 0.00 34.13 30.11 3kts s GLU 130 CO 0.04 -1.03 0.70 -0.51 -0.54 0.00 0.00 175.26 173.91 3kts s LEU 131 N 2.15 4.49 0.01 2.70 1.02 0.10 -0.93 118.68 128.23 3kts s LEU 131 Ca 0.11 1.40 0.01 0.00 0.02 0.00 0.00 54.13 55.67 3kts s LEU 131 Cb -0.20 -3.12 -0.01 0.00 0.02 0.00 0.00 46.19 42.88 3kts s LEU 131 CO 0.11 0.13 -0.04 -0.76 0.02 0.00 0.00 176.35 175.81 3kts s LEU 132 N -0.56 2.06 0.90 1.79 1.02 -0.62 -0.74 118.68 122.53 3kts s LEU 132 Ca 0.34 -0.16 -0.12 0.00 0.02 0.00 0.00 54.13 54.22 3kts s LEU 132 Cb -0.20 -0.14 0.13 0.00 0.02 0.00 0.00 46.19 45.99 3kts s LEU 132 CO 0.22 -0.02 1.09 -2.16 0.02 0.00 0.00 176.35 175.50 3kts s PRO 133 N -0.40 1.25 0.27 1.29 0.04 -1.26 0.54 135.00 136.73 3kts s PRO 133 Ca -0.02 0.83 0.18 0.00 0.04 0.00 0.00 61.00 62.03 3kts s PRO 133 Cb -0.03 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.79 3kts s PRO 133 CO -0.00 -2.25 1.33 0.78 0.04 0.00 0.00 177.00 176.89 3kts h GLY 134 N -1.56 0.00 -1.99 0.56 0.00 0.28 -3.38 103.07 96.98 3kts h GLY 134 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3kts h GLY 134 CO 0.54 0.00 0.05 0.29 0.00 0.00 0.00 176.54 177.43 3kts n ILE 135 N -3.06 1.05 -3.83 2.60 -5.35 -1.25 -4.27 119.36 105.26 3kts n ILE 135 Ca 0.00 -0.46 -0.33 0.00 -0.27 0.00 0.00 62.75 61.69 3kts n ILE 135 Cb 0.67 -0.55 -0.12 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.38 3.21 0.36 7.28 1.01 -1.26 -4.97 121.20 125.45 3kts s ILE 136 Ca 0.16 -3.21 0.07 0.00 0.00 0.00 0.00 60.65 57.67 3kts s ILE 136 Cb 0.13 -3.14 0.15 0.00 0.01 0.00 0.00 42.46 39.61 3kts s ILE 136 CO 0.04 -0.86 1.88 -0.65 0.00 0.00 0.00 174.94 175.36 3kts h PRO 137 N 6.69 0.38 -0.71 2.79 0.11 -1.92 -3.01 132.00 136.33 3kts h PRO 137 Ca -0.03 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 3kts h PRO 137 Cb 0.91 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 3kts h PRO 137 CO 0.71 0.48 0.24 1.49 -0.21 0.00 0.00 178.00 180.70 3kts h GLU 138 N 0.36 1.08 0.00 1.05 4.81 -1.94 -3.02 114.58 116.92 3kts h GLU 138 Ca 0.07 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3kts h GLU 138 Cb 0.38 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3kts h GLU 138 CO 0.02 0.91 -0.28 1.96 -0.73 0.00 0.00 179.01 180.89 3kts h GLN 139 N 1.04 0.00 -0.46 1.92 1.08 -1.96 -2.41 115.11 114.32 3kts h GLN 139 Ca 0.23 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.32 3kts h GLN 139 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3kts h GLN 139 CO -0.01 0.28 -0.16 0.28 -0.95 0.00 0.00 178.83 178.27 3kts h VAL 140 N 0.00 1.27 -0.51 -0.54 2.07 -1.58 -3.04 116.25 113.93 3kts h VAL 140 Ca -0.00 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 3kts h VAL 140 Cb 0.74 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3kts h VAL 140 CO 0.04 0.45 0.20 -0.61 0.02 0.00 0.00 177.57 177.66 3kts h GLN 141 N 0.76 0.73 -0.24 1.57 4.15 -1.38 0.13 115.11 120.84 3kts h GLN 141 Ca 0.11 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3kts h GLN 141 Cb 0.72 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 3kts h GLN 141 CO 0.06 0.61 0.09 0.87 -1.93 0.00 0.00 178.83 178.52 3kts h LYS 142 N 0.73 0.19 -0.09 1.69 1.57 -1.54 -3.17 116.57 115.95 3kts h LYS 142 Ca 0.18 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 3kts h LYS 142 Cb 0.15 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3kts h LYS 142 CO -0.02 0.13 -0.69 0.52 -0.57 0.00 0.00 179.45 178.82 3kts h MET 143 N 0.20 0.39 -0.21 3.15 2.86 -0.99 -3.06 114.93 117.27 3kts h MET 143 Ca 0.10 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3kts h MET 143 Cb 0.06 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3kts h MET 143 CO -0.10 0.93 -0.03 1.79 1.06 0.00 0.00 176.91 180.56 3kts h THR 144 N 0.27 1.15 -2.29 2.22 1.35 -0.90 -3.22 112.91 111.50 3kts h THR 144 Ca -0.02 -0.61 -0.64 0.00 -0.55 0.00 0.00 66.41 64.58 3kts h THR 144 Cb 1.25 1.04 -0.38 0.00 -1.73 0.00 0.00 68.15 68.32 3kts h THR 144 CO 0.12 0.20 -0.23 0.00 -0.25 0.00 0.00 175.52 175.36 3kts n GLN 145 N -4.33 3.73 0.00 4.72 6.02 -1.16 -3.08 117.38 123.28 3kts n GLN 145 Ca -0.00 -4.81 0.00 0.00 -0.01 0.00 0.00 57.00 52.18 3kts n GLN 145 Cb 0.21 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.18 3kts n GLN 145 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kts n LYS 146 N -0.12 0.00 0.00 -1.09 4.76 -1.21 -4.92 118.16 115.58 3kts n LYS 146 Ca 0.34 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 3kts n LYS 146 Cb 0.36 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kts n LYS 146 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3kts n LEU 147 N -0.84 0.00 -3.59 -0.35 4.32 -1.25 -5.05 117.00 110.24 3kts n LEU 147 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.72 3kts n LEU 147 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 3kts n LEU 147 CO 0.00 0.00 0.02 1.57 -1.22 0.00 0.00 177.39 177.76 3kts n HIS 148 N -0.31 -1.98 -3.26 -1.77 -0.00 -1.18 -5.00 115.22 101.72 3kts n HIS 148 Ca 0.00 0.65 -0.38 0.00 0.46 0.00 0.00 57.72 58.45 3kts n HIS 148 Cb 0.00 -3.49 -0.06 0.00 -0.12 0.00 0.00 29.99 26.33 3kts n HIS 148 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3kts s ILE 149 N -3.12 5.10 0.38 3.57 1.01 -1.26 -5.05 121.20 121.84 3kts s ILE 149 Ca 0.51 1.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.98 3kts s ILE 149 Cb -0.26 -3.87 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 3kts s ILE 149 CO 0.63 0.35 1.20 -2.65 0.00 0.00 0.00 174.94 174.47 3kts n PRO 150 N 3.39 1.83 -4.55 2.79 -0.02 -1.26 -4.77 135.00 132.41 3kts n PRO 150 Ca -0.07 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 3kts n PRO 150 Cb 0.51 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.16 3.59 -0.02 -1.45 -7.23 -1.26 -1.75 120.40 111.12 3kts s VAL 151 Ca 0.59 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 60.09 3kts s VAL 151 Cb -0.56 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 3kts s VAL 151 CO 0.60 0.47 -0.05 -0.63 -0.31 0.00 0.00 175.10 175.17 3kts s ILE 152 N -0.91 3.78 -0.12 -0.62 -1.09 0.22 -2.20 121.20 120.25 3kts s ILE 152 Ca 0.15 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 3kts s ILE 152 Cb -0.11 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 3kts s ILE 152 CO 0.05 0.46 -0.15 0.00 -1.23 0.00 0.00 174.94 174.07 3kts s ALA 153 N -0.95 2.55 0.04 9.38 0.00 -1.02 0.03 121.76 131.79 3kts s ALA 153 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3kts s ALA 153 Cb -0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3kts s ALA 153 CO 0.06 0.29 -0.04 0.20 0.00 0.00 0.00 175.76 176.27 3kts s GLY 154 N 0.22 0.41 0.00 0.00 0.00 0.08 -0.99 107.32 107.04 3kts s GLY 154 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.73 3kts s GLY 154 CO 0.06 -0.98 0.00 0.61 0.00 0.00 0.00 173.10 172.78 3kts n GLY 155 N 0.91 -0.36 3.14 0.20 0.00 -1.24 -0.20 105.19 107.65 3kts n GLY 155 Ca -0.19 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.11 0.17 -4.70 0.99 4.77 -1.26 -0.11 117.00 116.75 3kts n LEU 156 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3kts n LEU 156 Cb 0.00 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3kts n LEU 156 CO 0.00 -0.08 1.26 -0.63 -1.33 0.00 0.00 177.39 176.60 3kts s ILE 157 N -3.46 3.08 -0.01 -0.08 1.09 -1.26 -4.85 121.20 115.72 3kts s ILE 157 Ca 0.00 0.61 0.00 0.00 -1.10 0.00 0.00 60.65 60.16 3kts s ILE 157 Cb 0.00 -3.39 -0.01 0.00 -1.06 0.00 0.00 42.46 38.00 3kts s ILE 157 CO 0.00 0.01 0.00 -0.62 -0.10 0.00 0.00 174.94 174.23 3kts n GLU 158 N 5.11 3.39 -4.57 2.79 1.02 -1.26 -4.80 120.64 122.32 3kts n GLU 158 Ca 0.15 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 3kts n GLU 158 Cb 0.41 -1.02 -0.11 0.00 -0.02 0.00 0.00 31.44 30.70 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 -2.02 1.68 0.23 2.62 -4.23 -1.26 -4.87 115.64 107.79 3kts s THR 159 Ca -0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 3kts s THR 159 Cb 0.00 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 71.07 3kts s THR 159 CO 0.02 0.00 1.73 0.28 -0.54 0.00 0.00 174.62 176.12 3kts h SER 160 N 1.86 0.91 -0.34 3.99 0.02 -2.00 -3.10 113.55 114.89 3kts h SER 160 Ca -0.43 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.33 3kts h SER 160 Cb 1.25 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 3kts h SER 160 CO 0.77 0.93 0.16 -0.33 -1.14 0.00 0.00 176.83 177.22 3kts h GLU 161 N 0.89 0.32 -0.75 3.45 3.07 -1.98 -1.48 114.58 118.10 3kts h GLU 161 Ca 0.18 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 3kts h GLU 161 Cb 0.44 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 3kts h GLU 161 CO 0.01 0.21 0.42 1.96 -1.40 0.00 0.00 179.01 180.22 3kts h GLN 162 N 0.33 1.03 0.25 2.33 4.20 -1.96 0.64 115.11 121.93 3kts h GLN 162 Ca 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3kts h GLN 162 Cb 0.06 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3kts h GLN 162 CO -0.11 0.75 -0.12 0.28 -0.67 0.00 0.00 178.83 178.96 3kts h VAL 163 N 1.04 0.79 -0.40 -0.54 2.07 -1.44 -2.68 116.25 115.09 3kts h VAL 163 Ca 0.27 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3kts h VAL 163 Cb 0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kts h VAL 163 CO -0.05 0.04 0.24 0.78 0.02 0.00 0.00 177.57 178.61 3kts h ASN 164 N -0.43 0.48 -0.65 0.57 2.35 -0.49 -2.18 115.58 115.22 3kts h ASN 164 Ca -0.03 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3kts h ASN 164 Cb 0.33 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3kts h ASN 164 CO 0.06 0.40 0.31 1.56 -1.65 0.00 0.00 177.43 178.10 3kts h GLN 165 N 0.52 0.98 0.00 0.81 4.20 0.24 0.50 115.11 122.35 3kts h GLN 165 Ca 0.14 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 3kts h GLN 165 Cb 0.00 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3kts h GLN 165 CO -0.03 0.77 -0.95 -0.24 -0.67 0.00 0.00 178.83 177.71 3kts h VAL 166 N 0.97 1.21 -0.42 -0.54 3.04 -1.41 -2.64 116.25 116.45 3kts h VAL 166 Ca 0.23 -2.80 -0.13 0.00 -1.01 0.00 0.00 66.70 62.99 3kts h VAL 166 Cb 0.13 2.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 3kts h VAL 166 CO -0.03 0.69 -0.26 0.40 -1.01 0.00 0.00 177.57 177.36 3kts h ILE 167 N 0.00 1.27 -0.08 3.17 2.04 -1.09 -2.23 117.51 120.60 3kts h ILE 167 Ca -0.05 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.41 3kts h ILE 167 Cb 1.65 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 3kts h ILE 167 CO 0.09 0.48 0.07 0.00 0.00 0.00 0.00 178.15 178.80 3kts h ALA 168 N 0.81 1.83 -0.00 1.87 0.00 -0.87 -0.32 119.26 122.58 3kts h ALA 168 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kts h ALA 168 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kts h ALA 168 CO 0.07 -0.11 -0.02 0.43 0.00 0.00 0.00 179.25 179.63 3kts n SER 169 N -4.13 0.50 0.00 0.00 7.64 -1.00 -4.90 113.62 111.73 3kts n SER 169 Ca -0.01 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.82 3kts n SER 169 Cb 0.17 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.10 1.29 3.71 0.23 0.00 -0.14 -3.88 105.19 107.50 3kts n GLY 170 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 3.19 -0.16 4.61 0.00 -0.87 -4.42 121.76 122.11 3kts s ALA 171 Ca 0.00 0.53 0.15 0.00 0.00 0.00 0.00 51.96 52.64 3kts s ALA 171 Cb 0.00 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.83 3kts s ALA 171 CO 0.00 -0.27 1.44 -0.84 0.00 0.00 0.00 175.76 176.09 3kts h ILE 172 N 4.83 0.86 -3.15 0.00 3.07 -1.75 -3.39 117.51 117.97 3kts h ILE 172 Ca -0.40 -2.22 0.01 0.00 1.55 0.00 0.00 64.86 63.80 3kts h ILE 172 Cb 1.21 2.43 -0.09 0.00 -0.27 0.00 0.00 36.82 40.10 3kts h ILE 172 CO 0.76 0.49 0.13 0.00 -1.05 0.00 0.00 178.15 178.48 3kts s ALA 173 N -2.96 -1.14 -0.13 0.16 0.00 -1.25 -4.70 121.76 111.74 3kts s ALA 173 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3kts s ALA 173 Cb 0.08 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.09 3kts s ALA 173 CO 0.75 -0.88 -0.12 0.08 0.00 0.00 0.00 175.76 175.59 3kts s VAL 174 N -3.87 1.34 0.04 0.00 1.01 0.13 -2.42 120.40 116.63 3kts s VAL 174 Ca 0.09 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 3kts s VAL 174 Cb -0.03 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 3kts s VAL 174 CO -0.01 0.42 0.71 0.42 0.00 0.00 0.00 175.10 176.64 3kts s THR 175 N 1.55 4.75 -0.13 3.92 -4.23 -0.16 0.38 115.64 121.71 3kts s THR 175 Ca 0.04 1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 61.82 3kts s THR 175 Cb -0.13 -4.05 0.06 0.00 1.34 0.00 0.00 72.50 69.72 3kts s THR 175 CO -0.09 0.40 0.60 0.28 -0.54 0.00 0.00 174.62 175.27 3kts s THR 176 N -0.25 0.01 -1.62 3.99 -1.32 -0.89 -3.62 115.64 111.93 3kts s THR 176 Ca 0.36 -0.07 0.18 0.00 -1.21 0.00 0.00 61.69 60.94 3kts s THR 176 Cb -0.20 -0.88 0.46 0.00 -1.51 0.00 0.00 72.50 70.37 3kts s THR 176 CO 0.21 -0.04 1.37 -1.54 -2.21 0.00 0.00 174.62 172.42 3kts n SER 177 N 1.83 3.39 -4.63 8.08 3.41 -1.26 -0.75 113.62 123.69 3kts n SER 177 Ca -0.17 -1.97 -0.43 0.00 -0.26 0.00 0.00 58.87 56.04 3kts n SER 177 Cb 0.56 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.07 6.53 0.30 4.04 3.84 -1.26 -4.90 114.94 122.42 3kts s ASN 178 Ca 0.36 1.40 0.04 0.00 0.21 0.00 0.00 52.86 54.88 3kts s ASN 178 Cb 0.19 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.83 3kts s ASN 178 CO 0.25 -1.17 1.75 0.50 -2.79 0.00 0.00 177.10 175.65 3kts h LYS 179 N 9.99 0.40 -0.71 0.43 3.64 -1.97 -3.20 116.57 125.16 3kts h LYS 179 Ca -0.30 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 3kts h LYS 179 Cb 1.12 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 3kts h LYS 179 CO 1.02 0.63 0.43 1.25 -2.27 0.00 0.00 179.45 180.51 3kts h HIS 180 N 0.36 0.80 -0.86 1.91 2.76 -1.96 -2.78 115.15 115.39 3kts h HIS 180 Ca 0.05 0.02 -0.54 0.00 -2.20 0.00 0.00 60.37 57.71 3kts h HIS 180 Cb 0.65 -0.26 -0.29 0.00 1.55 0.00 0.00 27.41 29.06 3kts h HIS 180 CO 0.02 0.44 0.40 1.47 -1.30 0.00 0.00 177.93 178.96 3kts n LEU 181 N -4.69 6.48 0.03 0.26 -0.00 -1.21 -4.05 117.00 113.82 3kts n LEU 181 Ca 0.08 -4.12 -0.12 0.00 -0.00 0.00 0.00 56.01 51.85 3kts n LEU 181 Cb 0.11 -0.79 -0.14 0.00 -0.00 0.00 0.00 43.42 42.60 3kts n LEU 181 CO 0.32 1.44 -0.31 -0.50 -0.00 0.00 0.00 177.39 178.35 3kts h TRP 182 N 1.63 0.20 -0.58 1.47 6.55 -1.56 -3.28 115.95 120.39 3kts h TRP 182 Ca 0.52 -0.15 0.00 0.00 0.95 0.00 0.00 58.89 60.21 3kts h TRP 182 Cb 1.55 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.84 3kts h TRP 182 CO 1.32 1.19 0.00 0.39 -1.05 0.00 0.00 178.44 180.29 3kts n GLU 183 N -3.30 4.17 0.00 0.49 1.02 -1.26 -4.72 120.64 117.04 3kts n GLU 183 Ca -0.13 -2.99 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 3kts n GLU 183 Cb 1.02 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3kts n GLU 183 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kts n GLY 184 N 0.75 -1.35 0.32 0.62 0.00 -1.23 -5.17 105.19 99.13 3kts n GLY 184 Ca 0.26 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.43 3kts n GLY 184 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74