#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oua s VAL 2 N 0.00 4.11 0.54 0.58 1.01 -1.26 -1.17 120.40 124.22 1oua s VAL 2 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1oua s VAL 2 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 1oua s VAL 2 CO 0.00 -0.13 1.10 -0.36 0.00 0.00 0.00 175.10 175.71 1oua s PHE 3 N 1.48 2.77 0.16 5.22 0.08 -0.15 -5.00 117.98 122.54 1oua s PHE 3 Ca 0.01 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.51 1oua s PHE 3 Cb -0.19 -3.20 -0.06 0.00 -0.57 0.00 0.00 43.02 39.00 1oua s PHE 3 CO 0.04 -1.37 0.48 -1.21 -0.10 0.00 0.00 175.22 173.06 1oua s GLU 4 N -3.41 3.78 0.08 0.44 2.02 -1.26 -4.85 118.70 115.49 1oua s GLU 4 Ca 0.70 0.20 -0.17 0.00 0.02 0.00 0.00 54.97 55.72 1oua s GLU 4 Cb -0.21 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1oua s GLU 4 CO 0.27 0.43 1.28 -0.09 0.02 0.00 0.00 175.26 177.18 1oua h ARG 5 N 3.02 -0.09 0.00 1.61 2.43 -1.96 -1.26 114.38 118.13 1oua h ARG 5 Ca -0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1oua h ARG 5 Cb 1.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1oua h ARG 5 CO 0.69 -0.06 -0.23 0.00 -1.51 0.00 0.00 179.97 178.86 1oua h GLU 7 N 0.00 -0.15 -0.64 0.00 4.81 -1.75 -1.79 114.58 115.07 1oua h GLU 7 Ca -0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1oua h GLU 7 Cb 0.43 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1oua h GLU 7 CO 0.03 -0.10 0.31 1.25 -0.73 0.00 0.00 179.01 179.77 1oua h LEU 8 N -0.16 0.83 -0.61 1.64 5.85 -0.88 -2.10 115.31 119.87 1oua h LEU 8 Ca -0.02 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1oua h LEU 8 Cb 0.12 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1oua h LEU 8 CO 0.02 0.72 0.30 0.00 -0.34 0.00 0.00 178.44 179.15 1oua h ALA 9 N 1.14 0.81 -0.36 1.25 0.00 -1.00 0.38 119.26 121.48 1oua h ALA 9 Ca 0.22 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1oua h ALA 9 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1oua h ALA 9 CO -0.03 -0.06 -0.23 0.00 0.00 0.00 0.00 179.25 178.93 1oua h ARG 10 N 0.56 0.71 -0.27 0.00 3.08 -1.10 -2.28 114.38 115.08 1oua h ARG 10 Ca 0.29 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1oua h ARG 10 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1oua h ARG 10 CO -0.21 0.88 0.04 1.15 -1.07 0.00 0.00 179.97 180.76 1oua h THR 11 N 0.62 1.23 -0.65 2.04 2.02 -0.67 -2.02 112.91 115.48 1oua h THR 11 Ca 0.09 -0.78 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 1oua h THR 11 Cb 0.72 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1oua h THR 11 CO 0.06 0.25 0.22 -0.07 0.37 0.00 0.00 175.52 176.35 1oua h LEU 12 N 0.26 0.90 -0.60 2.58 3.38 -0.89 -1.72 115.31 119.23 1oua h LEU 12 Ca 0.08 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1oua h LEU 12 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1oua h LEU 12 CO 0.01 0.83 0.15 0.50 0.09 0.00 0.00 178.44 180.01 1oua h LYS 13 N 0.95 0.95 -0.04 1.13 3.64 -1.21 -1.91 116.57 120.07 1oua h LYS 13 Ca 0.22 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1oua h LYS 13 Cb 0.24 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1oua h LYS 13 CO -0.01 0.88 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.66 1oua h ARG 14 N 0.87 0.08 -0.08 1.90 2.43 -0.94 -2.47 114.38 116.15 1oua h ARG 14 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1oua h ARG 14 Cb 0.35 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1oua h ARG 14 CO 0.00 0.37 0.00 1.28 -1.51 0.00 0.00 179.97 180.11 1oua n LEU 15 N -4.17 0.66 -0.01 3.80 4.77 -0.68 -4.92 117.00 116.45 1oua n LEU 15 Ca -0.02 -0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1oua n LEU 15 Cb 0.36 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1oua n LEU 15 CO 0.39 0.15 -0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1oua n GLY 16 N 0.86 0.38 0.16 -0.72 0.00 -0.93 -4.97 105.19 99.97 1oua n GLY 16 Ca 0.12 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 45.17 1oua n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1oua h MET 17 N 0.00 0.00 -6.15 1.61 2.86 -1.55 -3.40 114.93 108.30 1oua h MET 17 Ca -0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1oua h MET 17 Cb 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1oua h MET 17 CO 0.00 0.30 1.35 0.34 1.06 0.00 0.00 176.91 179.97 1oua s ASP 18 N -6.26 5.67 0.00 1.22 2.15 -1.26 -1.94 116.67 116.24 1oua s ASP 18 Ca 0.04 1.36 0.00 0.00 0.43 0.00 0.00 52.55 54.38 1oua s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1oua s ASP 18 CO 0.73 -1.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.46 1oua n GLY 19 N 5.55 0.73 3.62 2.66 0.00 0.29 -4.87 105.19 113.17 1oua n GLY 19 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1oua n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1oua n TYR 20 N -2.43 2.19 -3.59 1.61 9.36 -0.82 -1.20 117.16 122.28 1oua n TYR 20 Ca 0.00 -0.22 -0.25 0.00 3.32 0.00 0.00 57.90 60.75 1oua n TYR 20 Cb 0.00 -2.75 0.06 0.00 -0.63 0.00 0.00 39.34 36.02 1oua n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1oua n ARG 21 N 8.17 -7.02 -0.98 2.98 5.12 -1.26 -1.88 116.66 121.79 1oua n ARG 21 Ca 0.26 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.96 1oua n ARG 21 Cb 0.42 -5.78 0.00 0.00 -1.16 0.00 0.00 32.46 25.94 1oua n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1oua n GLY 22 N -1.87 0.54 3.49 -0.13 0.00 -0.34 -5.01 105.19 101.86 1oua n GLY 22 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1oua n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oua s ILE 23 N -2.30 5.24 0.70 -0.61 1.01 -0.79 -4.92 121.20 119.55 1oua s ILE 23 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1oua s ILE 23 Cb 0.00 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1oua s ILE 23 CO 0.00 -0.17 1.19 -0.94 0.00 0.00 0.00 174.94 175.03 1oua s SER 24 N 1.69 4.44 0.26 3.58 1.04 -1.26 -0.55 113.70 122.91 1oua s SER 24 Ca 0.05 2.31 -0.01 0.00 0.48 0.00 0.00 55.95 58.78 1oua s SER 24 Cb -0.18 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 63.85 1oua s SER 24 CO 0.10 -2.10 1.81 0.25 0.98 0.00 0.00 173.24 174.28 1oua h LEU 25 N -0.11 0.74 -1.72 2.42 5.85 -1.90 -1.41 115.31 119.18 1oua h LEU 25 Ca -0.48 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1oua h LEU 25 Cb 1.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1oua h LEU 25 CO 0.51 0.39 0.09 0.00 -0.34 0.00 0.00 178.44 179.08 1oua h ALA 26 N 1.51 1.79 -0.21 1.25 0.00 -1.91 -0.81 119.26 120.88 1oua h ALA 26 Ca 0.45 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 1oua h ALA 26 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1oua h ALA 26 CO -0.28 0.18 -0.59 -0.91 0.00 0.00 0.00 179.25 177.65 1oua h ASN 27 N 0.27 0.76 -0.41 0.00 2.35 -1.59 -0.39 115.58 116.58 1oua h ASN 27 Ca 0.07 -0.43 -0.11 0.00 -0.55 0.00 0.00 56.30 55.28 1oua h ASN 27 Cb 0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1oua h ASN 27 CO -0.01 1.18 -0.16 -0.50 -1.65 0.00 0.00 177.43 176.29 1oua h TRP 28 N 0.51 1.00 -0.49 1.19 4.06 -1.16 -1.24 115.95 119.82 1oua h TRP 28 Ca 0.00 -0.21 -0.07 0.00 2.06 0.00 0.00 58.89 60.67 1oua h TRP 28 Cb 1.17 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 29.06 1oua h TRP 28 CO 0.06 0.97 0.04 0.52 -3.56 0.00 0.00 178.44 176.48 1oua h MET 29 N 0.79 0.84 -0.72 0.49 2.86 -1.00 -0.66 114.93 117.53 1oua h MET 29 Ca 0.12 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1oua h MET 29 Cb 0.69 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1oua h MET 29 CO 0.05 0.86 0.41 0.00 1.06 0.00 0.00 176.91 179.29 1oua h LEU 31 N 0.98 0.13 -1.20 0.00 5.85 -1.02 -2.41 115.31 117.64 1oua h LEU 31 Ca 0.25 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1oua h LEU 31 Cb 0.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1oua h LEU 31 CO -0.04 0.28 0.30 0.00 -0.34 0.00 0.00 178.44 178.64 1oua h ALA 32 N 0.85 1.38 -0.28 1.25 0.00 -0.91 0.12 119.26 121.67 1oua h ALA 32 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1oua h ALA 32 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1oua h ALA 32 CO -0.00 0.49 0.12 -0.22 0.00 0.00 0.00 179.25 179.64 1oua h LYS 33 N 0.86 0.41 0.00 0.00 1.63 -1.07 -1.89 116.57 116.50 1oua h LYS 33 Ca 0.21 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1oua h LYS 33 Cb 0.08 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1oua h LYS 33 CO -0.03 0.41 -0.30 -1.49 -3.45 0.00 0.00 179.45 174.59 1oua h TRP 34 N 0.31 0.00 0.04 1.91 4.06 -1.21 -1.75 115.95 119.31 1oua h TRP 34 Ca 0.09 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.95 1oua h TRP 34 Cb 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1oua h TRP 34 CO -0.02 0.12 -0.50 0.93 -3.56 0.00 0.00 178.44 175.42 1oua h GLU 35 N 0.00 0.08 0.00 0.49 4.39 -0.98 -3.43 114.58 115.13 1oua h GLU 35 Ca -0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1oua h GLU 35 Cb 1.10 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1oua h GLU 35 CO 0.01 1.06 -0.12 -1.13 -1.16 0.00 0.00 179.01 177.68 1oua n SER 36 N -4.43 0.60 -1.08 1.42 3.41 -0.93 -4.87 113.62 107.74 1oua n SER 36 Ca -0.16 -0.20 -0.07 0.00 -0.26 0.00 0.00 58.87 58.18 1oua n SER 36 Cb 0.62 0.52 0.01 0.00 -0.26 0.00 0.00 64.21 65.10 1oua n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oua n GLY 37 N 0.70 0.31 2.42 5.00 0.00 -0.66 -3.12 105.19 109.85 1oua n GLY 37 Ca 0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 1oua n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oua n TYR 38 N -3.62 -0.40 -3.63 1.61 0.53 -1.11 -4.78 117.16 105.75 1oua n TYR 38 Ca -0.04 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.47 1oua n TYR 38 Cb 0.54 -3.23 -0.11 0.00 -1.03 0.00 0.00 39.34 35.51 1oua n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1oua s ASN 39 N -2.52 5.83 0.37 7.72 2.47 -1.18 -0.98 114.94 126.64 1oua s ASN 39 Ca 0.00 -0.05 0.19 0.00 0.42 0.00 0.00 52.86 53.42 1oua s ASN 39 Cb 0.00 -2.08 0.61 0.00 -1.45 0.00 0.00 41.25 38.33 1oua s ASN 39 CO 0.00 -0.04 1.69 0.71 -3.72 0.00 0.00 177.10 175.74 1oua h THR 40 N 5.39 0.83 -0.61 -5.21 1.35 -1.48 -3.19 112.91 109.99 1oua h THR 40 Ca -0.36 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1oua h THR 40 Cb 1.19 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 1oua h THR 40 CO 0.56 0.37 0.00 -2.11 -0.25 0.00 0.00 175.52 174.09 1oua n ARG 41 N -3.45 2.40 -1.98 4.72 1.85 -1.26 -4.03 116.66 114.91 1oua n ARG 41 Ca 0.00 -2.18 -0.41 0.00 -1.00 0.00 0.00 57.85 54.26 1oua n ARG 41 Cb 0.54 -1.47 -0.02 0.00 -1.05 0.00 0.00 32.46 30.45 1oua n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1oua s ALA 42 N -1.19 3.65 0.00 2.89 0.00 -1.21 -4.81 121.76 121.09 1oua s ALA 42 Ca 0.41 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1oua s ALA 42 Cb 0.21 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1oua s ALA 42 CO 0.28 -0.77 -0.02 0.95 0.00 0.00 0.00 175.76 176.19 1oua s THR 43 N 0.10 0.15 -0.12 0.00 -4.23 -1.26 -0.37 115.64 109.90 1oua s THR 43 Ca 0.61 -0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1oua s THR 43 Cb -0.43 -0.15 0.04 0.00 1.34 0.00 0.00 72.50 73.31 1oua s THR 43 CO 0.43 -0.01 0.02 0.21 -0.54 0.00 0.00 174.62 174.72 1oua s ASN 44 N -0.19 2.11 -0.04 3.99 2.47 -0.67 -4.96 114.94 117.65 1oua s ASN 44 Ca -0.01 -0.38 -0.25 0.00 0.42 0.00 0.00 52.86 52.64 1oua s ASN 44 Cb -0.02 -0.48 -0.04 0.00 -1.45 0.00 0.00 41.25 39.26 1oua s ASN 44 CO -0.00 -0.24 0.75 -0.47 -3.72 0.00 0.00 177.10 173.41 1oua s TYR 45 N 1.94 3.62 -0.64 0.43 6.14 -1.26 -0.46 117.35 127.12 1oua s TYR 45 Ca 0.03 1.35 -0.11 0.00 0.64 0.00 0.00 57.07 58.98 1oua s TYR 45 Cb -0.14 -2.85 0.16 0.00 0.42 0.00 0.00 41.96 39.56 1oua s TYR 45 CO -0.06 0.11 0.54 -0.80 0.64 0.00 0.00 175.55 175.98 1oua s ASN 46 N 0.65 6.09 0.55 4.32 0.01 0.37 -4.95 114.94 121.97 1oua s ASN 46 Ca 0.40 -2.34 0.23 0.00 -0.71 0.00 0.00 52.86 50.44 1oua s ASN 46 Cb -0.19 -2.09 1.45 0.00 0.41 0.00 0.00 41.25 40.83 1oua s ASN 46 CO 0.20 -0.62 2.09 0.00 -1.51 0.00 0.00 177.10 177.26 1oua h ALA 47 N 8.03 2.11 -0.54 0.60 0.00 -1.95 -1.45 119.26 126.05 1oua h ALA 47 Ca -0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1oua h ALA 47 Cb 1.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1oua h ALA 47 CO 0.83 -0.31 0.08 0.78 0.00 0.00 0.00 179.25 180.63 1oua h GLY 48 N 0.00 0.93 0.00 0.00 0.00 -1.95 -3.32 103.07 98.73 1oua h GLY 48 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1oua h GLY 48 CO -0.00 0.54 0.00 2.09 0.00 0.00 0.00 176.54 179.16 1oua n ASP 49 N -4.24 1.58 -1.31 0.19 5.75 -1.12 -5.03 116.55 112.38 1oua n ASP 49 Ca 0.04 -1.77 -0.15 0.00 -0.01 0.00 0.00 54.79 52.89 1oua n ASP 49 Cb 0.26 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.30 1oua n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1oua n ARG 50 N -0.38 -1.10 -3.83 0.11 1.74 -0.56 -4.83 116.66 107.80 1oua n ARG 50 Ca 0.00 0.97 -0.21 0.00 -0.77 0.00 0.00 57.85 57.84 1oua n ARG 50 Cb 0.28 -5.17 -0.04 0.00 -1.02 0.00 0.00 32.46 26.51 1oua n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1oua s SER 51 N -2.72 5.26 0.03 0.55 1.04 -1.21 -4.49 113.70 112.16 1oua s SER 51 Ca 0.00 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1oua s SER 51 Cb 0.00 -0.96 -0.02 0.00 0.10 0.00 0.00 66.02 65.14 1oua s SER 51 CO 0.00 -0.35 -0.10 -0.89 0.98 0.00 0.00 173.24 172.88 1oua s THR 52 N -2.31 0.76 -0.15 2.02 2.01 -1.26 -0.48 115.64 116.22 1oua s THR 52 Ca 0.41 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 1oua s THR 52 Cb -0.06 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1oua s THR 52 CO 0.26 -0.06 0.09 -1.81 -0.69 0.00 0.00 174.62 172.41 1oua s ASP 53 N -0.94 5.90 -0.04 3.53 1.01 0.40 -1.66 116.67 124.86 1oua s ASP 53 Ca -0.01 0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.53 1oua s ASP 53 Cb -0.07 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1oua s ASP 53 CO 0.01 0.27 -0.22 -0.31 0.21 0.00 0.00 175.17 175.13 1oua s TYR 54 N -0.22 2.13 0.00 4.23 2.02 -0.21 -1.68 117.35 123.62 1oua s TYR 54 Ca 0.09 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1oua s TYR 54 Cb -0.12 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1oua s TYR 54 CO 0.01 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1oua n GLY 55 N 2.92 -1.31 0.32 0.71 0.00 0.50 -1.72 105.19 106.60 1oua n GLY 55 Ca -0.17 -1.21 0.16 0.00 0.00 0.00 0.00 46.02 44.80 1oua n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1oua h THR 56 N 0.00 0.33 -0.42 2.61 2.02 -1.69 -0.03 112.91 115.73 1oua h THR 56 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1oua h THR 56 Cb 0.00 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 1oua h THR 56 CO 0.00 0.05 0.00 0.49 0.37 0.00 0.00 175.52 176.43 1oua n PHE 57 N -5.16 0.54 -3.81 3.16 3.01 -1.26 -3.84 117.46 110.11 1oua n PHE 57 Ca 0.24 -0.27 -0.34 0.00 1.01 0.00 0.00 57.45 58.09 1oua n PHE 57 Cb 0.76 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.26 1oua n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1oua n GLN 58 N 1.50 -1.30 -2.67 -1.08 1.13 -0.03 -4.90 117.38 110.03 1oua n GLN 58 Ca 0.20 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.20 1oua n GLN 58 Cb 0.61 -3.84 -0.03 0.00 0.11 0.00 0.00 30.24 27.09 1oua n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1oua s ILE 59 N -3.56 4.75 0.17 5.09 1.01 -0.70 -4.42 121.20 123.53 1oua s ILE 59 Ca 0.41 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.74 1oua s ILE 59 Cb -0.17 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 1oua s ILE 59 CO 0.89 0.09 1.16 0.21 0.00 0.00 0.00 174.94 177.29 1oua s ASN 60 N 1.07 7.15 0.00 3.58 3.84 -1.26 -1.04 114.94 128.28 1oua s ASN 60 Ca 0.51 2.15 0.24 0.00 0.21 0.00 0.00 52.86 55.97 1oua s ASN 60 Cb -0.21 -2.60 1.21 0.00 -0.55 0.00 0.00 41.25 39.10 1oua s ASN 60 CO 0.24 -0.33 1.78 -1.54 -2.79 0.00 0.00 177.10 174.46 1oua n SER 61 N 2.64 0.00 0.07 -4.21 3.41 -0.66 -2.01 113.62 112.86 1oua n SER 61 Ca 0.04 -0.10 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 1oua n SER 61 Cb 0.45 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 1oua n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1oua h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.41 114.38 115.90 1oua h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1oua h ARG 62 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1oua h ARG 62 CO 0.00 0.84 -0.91 0.66 -1.51 0.00 0.00 179.97 179.05 1oua n TYR 63 N -3.29 0.00 -0.10 2.20 4.02 -1.21 -0.35 117.16 118.42 1oua n TYR 63 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 1oua n TYR 63 Cb 0.90 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 40.10 1oua n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1oua n TRP 64 N -2.02 0.24 -4.26 -0.72 7.02 -0.85 -0.78 117.44 116.06 1oua n TRP 64 Ca 0.00 0.05 -0.14 0.00 -1.02 0.00 0.00 57.50 56.39 1oua n TRP 64 Cb 0.45 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 28.21 1oua n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1oua s ASN 66 N -3.20 5.50 0.00 0.00 2.47 -0.05 -4.55 114.94 115.11 1oua s ASN 66 Ca 0.22 -0.08 0.05 0.00 0.42 0.00 0.00 52.86 53.47 1oua s ASN 66 Cb 0.05 -1.99 0.06 0.00 -1.45 0.00 0.00 41.25 37.92 1oua s ASN 66 CO 0.04 0.01 0.73 -0.90 -3.72 0.00 0.00 177.10 173.25 1oua n ASP 67 N 4.65 1.58 0.00 -4.21 5.68 -1.26 -1.76 116.55 121.22 1oua n ASP 67 Ca -0.16 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1oua n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1oua n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oua n GLY 68 N 0.27 2.03 0.54 6.12 0.00 -1.26 -4.72 105.19 108.17 1oua n GLY 68 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1oua n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1oua n LYS 69 N -1.78 1.53 -3.41 1.61 2.85 -1.26 -4.96 118.16 112.75 1oua n LYS 69 Ca 0.00 -1.55 -0.39 0.00 -1.05 0.00 0.00 58.31 55.32 1oua n LYS 69 Cb 0.00 -1.24 -0.09 0.00 -0.65 0.00 0.00 35.03 33.05 1oua n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1oua s THR 70 N -0.98 5.19 0.37 0.58 2.01 -1.26 -4.98 115.64 116.57 1oua s THR 70 Ca 0.18 0.57 -0.28 0.00 0.31 0.00 0.00 61.69 62.47 1oua s THR 70 Cb 0.11 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 68.82 1oua s THR 70 CO 0.15 0.19 1.47 -2.84 -0.69 0.00 0.00 174.62 172.90 1oua s PRO 71 N 1.86 4.13 -1.68 4.92 0.02 -1.26 -3.46 135.00 139.53 1oua s PRO 71 Ca 0.15 2.54 -0.19 0.00 0.02 0.00 0.00 61.00 63.53 1oua s PRO 71 Cb -0.15 -2.98 0.16 0.00 0.02 0.00 0.00 34.50 31.55 1oua s PRO 71 CO 0.09 -0.51 0.75 0.41 -0.33 0.00 0.00 177.00 177.42 1oua n GLY 72 N 0.49 -0.45 3.92 0.52 0.00 -1.26 -4.94 105.19 103.48 1oua n GLY 72 Ca 0.01 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1oua n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oua s ALA 73 N -3.23 3.73 0.44 4.61 0.00 -1.22 -4.99 121.76 121.08 1oua s ALA 73 Ca 0.73 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1oua s ALA 73 Cb -0.40 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1oua s ALA 73 CO 0.90 0.29 0.09 0.14 0.00 0.00 0.00 175.76 177.18 1oua s VAL 74 N -2.02 1.93 -0.43 0.00 -7.23 0.52 -5.00 120.40 108.17 1oua s VAL 74 Ca 0.41 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.79 1oua s VAL 74 Cb -0.11 -2.79 0.26 0.00 0.56 0.00 0.00 36.38 34.31 1oua s VAL 74 CO 0.30 0.00 0.59 -3.20 -0.31 0.00 0.00 175.10 172.48 1oua n ASN 75 N -1.16 0.86 0.31 4.85 5.15 -1.23 -3.88 115.26 120.15 1oua n ASN 75 Ca -0.06 -2.86 0.17 0.00 -0.60 0.00 0.00 54.58 51.23 1oua n ASN 75 Cb 0.66 -0.64 0.98 0.00 -0.53 0.00 0.00 39.78 40.25 1oua n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oua h ALA 76 N 3.89 1.38 -0.00 5.20 0.00 -0.98 0.01 119.26 128.75 1oua h ALA 76 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1oua h ALA 76 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1oua h ALA 76 CO 0.53 0.01 -0.38 0.00 0.00 0.00 0.00 179.25 179.40 1oua n HIS 78 N -0.99 -1.98 -3.85 0.00 -0.00 -0.01 -4.98 115.22 103.40 1oua n HIS 78 Ca 0.09 0.73 -0.11 0.00 -0.00 0.00 0.00 57.72 58.43 1oua n HIS 78 Cb 0.35 -4.05 -0.09 0.00 -0.00 0.00 0.00 29.99 26.19 1oua n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1oua s LEU 79 N -6.43 1.41 0.37 2.41 1.43 -1.26 -5.07 118.68 111.54 1oua s LEU 79 Ca 0.21 -0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 1oua s LEU 79 Cb -0.06 0.83 -0.09 0.00 0.03 0.00 0.00 46.19 46.90 1oua s LEU 79 CO 0.82 -0.43 1.08 -0.55 0.23 0.00 0.00 176.35 177.50 1oua s SER 80 N -1.54 6.85 0.59 2.29 0.15 -1.26 -0.87 113.70 119.90 1oua s SER 80 Ca -0.12 2.13 0.39 0.00 0.70 0.00 0.00 55.95 59.05 1oua s SER 80 Cb -0.06 -2.60 1.94 0.00 -1.71 0.00 0.00 66.02 63.59 1oua s SER 80 CO 0.01 -0.43 2.17 0.00 1.20 0.00 0.00 173.24 176.19 1oua h SER 82 N 0.00 0.31 0.42 0.00 0.87 -1.90 -1.37 113.55 111.89 1oua h SER 82 Ca 0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1oua h SER 82 Cb 0.19 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1oua h SER 82 CO 0.00 0.23 -0.09 0.00 -0.53 0.00 0.00 176.83 176.43 1oua h ALA 83 N 1.83 1.21 -0.11 6.23 0.00 -1.68 -1.95 119.26 124.79 1oua h ALA 83 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1oua h ALA 83 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oua h ALA 83 CO -0.02 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1oua n LEU 84 N -3.50 0.96 -0.41 0.00 4.77 -0.51 -3.45 117.00 114.86 1oua n LEU 84 Ca -0.02 -0.41 0.04 0.00 -0.03 0.00 0.00 56.01 55.59 1oua n LEU 84 Cb 0.23 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1oua n LEU 84 CO 0.29 0.21 0.58 0.18 -1.33 0.00 0.00 177.39 177.31 1oua n LEU 85 N -0.13 2.56 -4.87 2.23 4.77 -0.73 -3.35 117.00 117.48 1oua n LEU 85 Ca 0.14 -1.96 -0.31 0.00 -0.03 0.00 0.00 56.01 53.85 1oua n LEU 85 Cb 0.21 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1oua n LEU 85 CO 0.11 0.64 0.72 -1.10 -1.33 0.00 0.00 177.39 176.43 1oua s GLN 86 N -0.98 3.52 0.19 3.23 -0.21 -1.22 -4.50 119.66 119.68 1oua s GLN 86 Ca 0.15 0.71 -0.01 0.00 0.02 0.00 0.00 55.36 56.23 1oua s GLN 86 Cb 0.08 -2.08 0.10 0.00 1.00 0.00 0.00 33.01 32.11 1oua s GLN 86 CO 0.10 -0.62 1.47 -0.44 -2.12 0.00 0.00 175.29 173.68 1oua h ASP 87 N -0.35 0.46 -3.30 5.90 5.19 -1.93 -3.40 116.42 118.99 1oua h ASP 87 Ca -0.44 -0.29 -0.57 0.00 -0.62 0.00 0.00 57.03 55.11 1oua h ASP 87 Cb 1.20 -0.14 -0.06 0.00 0.18 0.00 0.00 39.33 40.51 1oua h ASP 87 CO 0.62 1.00 0.86 0.21 -3.12 0.00 0.00 179.24 178.82 1oua s ASN 88 N -6.95 6.90 0.00 6.45 3.84 -1.26 -4.91 114.94 119.01 1oua s ASN 88 Ca -0.06 1.06 0.14 0.00 0.21 0.00 0.00 52.86 54.20 1oua s ASN 88 Cb 0.11 -2.54 0.59 0.00 -0.55 0.00 0.00 41.25 38.85 1oua s ASN 88 CO 0.83 -0.91 1.41 2.30 -2.79 0.00 0.00 177.10 177.95 1oua n ILE 89 N 5.92 0.17 -0.18 -5.21 -5.35 -1.26 -4.46 119.36 108.99 1oua n ILE 89 Ca 0.12 -0.21 -0.03 0.00 -0.27 0.00 0.00 62.75 62.36 1oua n ILE 89 Cb 0.47 0.08 0.04 0.00 -1.74 0.00 0.00 39.64 38.49 1oua n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oua h ALA 90 N 3.61 0.23 -0.34 -1.28 0.00 -1.95 -0.21 119.26 119.32 1oua h ALA 90 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1oua h ALA 90 Cb 0.25 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1oua h ALA 90 CO 0.00 -0.51 -0.06 -0.44 0.00 0.00 0.00 179.25 178.24 1oua h ASP 91 N -0.07 0.64 -0.50 0.00 3.45 -1.87 -1.68 116.42 116.40 1oua h ASP 91 Ca 0.25 -0.35 0.05 0.00 0.43 0.00 0.00 57.03 57.41 1oua h ASP 91 Cb 0.46 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 1oua h ASP 91 CO -0.59 0.84 0.33 0.00 -1.57 0.00 0.00 179.24 178.26 1oua h ALA 92 N 0.82 1.84 -0.11 3.45 0.00 -1.64 0.10 119.26 123.73 1oua h ALA 92 Ca 0.09 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 1oua h ALA 92 Cb 0.55 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1oua h ALA 92 CO 0.03 0.09 -0.84 0.28 0.00 0.00 0.00 179.25 178.81 1oua h VAL 93 N 0.50 1.29 -0.83 0.00 2.07 -0.85 -0.73 116.25 117.70 1oua h VAL 93 Ca 0.21 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 1oua h VAL 93 Cb 0.20 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1oua h VAL 93 CO -0.05 0.65 0.37 0.00 0.02 0.00 0.00 177.57 178.55 1oua h ALA 94 N 0.56 1.09 -0.18 1.67 0.00 -0.33 -1.65 119.26 120.41 1oua h ALA 94 Ca -0.07 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1oua h ALA 94 Cb 1.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1oua h ALA 94 CO 0.17 0.67 -0.67 0.00 0.00 0.00 0.00 179.25 179.41 1oua h ALA 96 N 0.72 1.36 -0.79 0.00 0.00 -0.94 -0.32 119.26 119.29 1oua h ALA 96 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1oua h ALA 96 Cb 1.28 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1oua h ALA 96 CO 0.14 0.51 0.39 0.87 0.00 0.00 0.00 179.25 181.16 1oua h LYS 97 N 0.91 1.12 -0.21 0.00 1.57 -1.12 -2.57 116.57 116.27 1oua h LYS 97 Ca 0.23 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1oua h LYS 97 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1oua h LYS 97 CO -0.03 0.85 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.59 1oua h ARG 98 N 1.12 0.38 -0.54 3.15 9.65 -0.85 -2.96 114.38 124.32 1oua h ARG 98 Ca 0.27 -0.13 0.11 0.00 -1.10 0.00 0.00 59.98 59.13 1oua h ARG 98 Cb 0.09 -0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.55 1oua h ARG 98 CO -0.04 0.59 0.02 0.28 2.80 0.00 0.00 179.97 183.62 1oua h VAL 99 N 0.13 0.58 0.00 0.20 2.07 -0.77 -1.60 116.25 116.86 1oua h VAL 99 Ca 0.06 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1oua h VAL 99 Cb 0.43 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1oua h VAL 99 CO 0.01 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1oua n VAL 100 N -5.23 0.13 0.35 2.57 0.24 -1.00 -2.74 118.33 112.65 1oua n VAL 100 Ca 0.07 0.03 0.14 0.00 -2.04 0.00 0.00 64.34 62.54 1oua n VAL 100 Cb 0.30 -0.60 0.45 0.00 -1.47 0.00 0.00 33.84 32.52 1oua n VAL 100 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1oua h ARG 101 N 0.00 0.00 -7.32 7.34 2.43 -1.12 -3.37 114.38 112.35 1oua h ARG 101 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1oua h ARG 101 Cb 0.22 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 29.88 1oua h ARG 101 CO 0.00 0.00 0.34 -0.51 -1.51 0.00 0.00 179.97 178.29 1oua s ASP 102 N -5.36 4.91 0.31 -3.80 -0.00 -1.11 -4.95 116.67 106.68 1oua s ASP 102 Ca 0.05 1.74 0.06 0.00 -0.00 0.00 0.00 52.55 54.40 1oua s ASP 102 Cb 0.08 -2.51 0.83 0.00 -0.00 0.00 0.00 42.92 41.32 1oua s ASP 102 CO 0.56 -1.76 1.67 1.55 -0.00 0.00 0.00 175.17 177.20 1oua h PRO 103 N -0.91 0.32 -0.22 8.23 0.13 -1.89 -1.93 132.00 135.73 1oua h PRO 103 Ca -0.44 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1oua h PRO 103 Cb 1.22 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1oua h PRO 103 CO 0.54 0.21 0.05 1.96 -0.23 0.00 0.00 178.00 180.53 1oua h GLN 104 N 0.33 0.30 0.00 0.86 4.20 -1.91 -3.48 115.11 115.41 1oua h GLN 104 Ca 0.61 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.28 1oua h GLN 104 Cb 1.25 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1oua h GLN 104 CO -0.59 0.29 0.00 0.41 -0.67 0.00 0.00 178.83 178.28 1oua n GLY 105 N -1.24 1.54 0.30 3.46 0.00 -0.73 -2.44 105.19 106.09 1oua n GLY 105 Ca 0.00 -0.67 0.20 0.00 0.00 0.00 0.00 46.02 45.55 1oua n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oua h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -2.42 117.51 118.66 1oua h ILE 106 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1oua h ILE 106 Cb 0.00 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.42 1oua h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1oua n ARG 107 N -3.00 0.01 0.28 2.19 1.74 -1.02 -2.51 116.66 114.35 1oua n ARG 107 Ca -0.02 0.36 0.13 0.00 -0.77 0.00 0.00 57.85 57.55 1oua n ARG 107 Cb 0.15 -1.50 0.82 0.00 -1.02 0.00 0.00 32.46 30.91 1oua n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oua h ALA 108 N 2.26 1.62 -2.83 7.54 0.00 -1.62 -3.37 119.26 122.85 1oua h ALA 108 Ca 0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.23 1oua h ALA 108 Cb 0.12 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.72 1oua h ALA 108 CO 0.00 0.03 -0.52 -1.58 0.00 0.00 0.00 179.25 177.18 1oua s TRP 109 N -4.69 3.21 0.35 0.00 0.51 -1.04 -4.96 118.94 112.32 1oua s TRP 109 Ca -0.05 -0.15 0.04 0.00 -2.12 0.00 0.00 56.10 53.82 1oua s TRP 109 Cb 0.15 -2.40 0.65 0.00 -0.81 0.00 0.00 33.47 31.07 1oua s TRP 109 CO 0.58 -0.29 1.97 0.28 -0.51 0.00 0.00 176.95 178.98 1oua h VAL 110 N 5.47 1.16 -0.77 4.03 2.07 -1.89 -1.57 116.25 124.76 1oua h VAL 110 Ca -0.33 -0.46 0.14 0.00 0.82 0.00 0.00 66.70 66.87 1oua h VAL 110 Cb 1.17 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1oua h VAL 110 CO 0.59 0.19 0.51 0.00 0.02 0.00 0.00 177.57 178.89 1oua h ALA 111 N 1.58 2.03 -0.49 1.67 0.00 -1.94 0.23 119.26 122.34 1oua h ALA 111 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1oua h ALA 111 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1oua h ALA 111 CO -0.02 -0.23 0.10 2.35 0.00 0.00 0.00 179.25 181.45 1oua h TRP 112 N 0.49 0.84 -0.64 0.00 7.01 -1.60 -0.78 115.95 121.27 1oua h TRP 112 Ca 0.38 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 61.23 1oua h TRP 112 Cb 0.77 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 1oua h TRP 112 CO -0.00 0.76 0.24 0.00 -2.79 0.00 0.00 178.44 176.65 1oua h ARG 113 N 0.67 0.97 -0.10 2.65 3.08 -1.02 0.38 114.38 121.02 1oua h ARG 113 Ca 0.15 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1oua h ARG 113 Cb 0.36 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1oua h ARG 113 CO 0.01 0.83 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.73 1oua h ASN 114 N 0.91 0.26 -0.02 7.04 2.35 -0.99 -3.36 115.58 121.77 1oua h ASN 114 Ca 0.21 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1oua h ASN 114 Cb 0.23 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1oua h ASN 114 CO -0.01 0.68 0.00 -2.11 -1.65 0.00 0.00 177.43 174.33 1oua n ARG 115 N -4.66 0.46 0.00 0.81 0.00 -0.31 -4.83 116.66 108.13 1oua n ARG 115 Ca -0.07 -1.12 0.00 0.00 -0.00 0.00 0.00 57.85 56.66 1oua n ARG 115 Cb 0.32 -1.19 0.00 0.00 -0.00 0.00 0.00 32.46 31.58 1oua n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1oua n GLN 117 N -2.32 2.06 -1.37 0.00 7.27 -0.19 -1.76 117.38 121.06 1oua n GLN 117 Ca 0.00 0.73 -0.13 0.00 0.07 0.00 0.00 57.00 57.67 1oua n GLN 117 Cb 0.33 -2.37 -0.06 0.00 2.41 0.00 0.00 30.24 30.55 1oua n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1oua n ASN 118 N 1.90 -5.40 -4.81 1.69 5.03 -1.26 -4.96 115.26 107.45 1oua n ASN 118 Ca 0.10 0.33 -0.22 0.00 0.87 0.00 0.00 54.58 55.66 1oua n ASN 118 Cb 0.32 -4.22 -0.05 0.00 -1.02 0.00 0.00 39.78 34.81 1oua n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1oua s ARG 119 N -3.09 2.41 -0.61 3.52 0.52 -0.72 -5.06 118.95 115.92 1oua s ARG 119 Ca 0.00 -1.65 -0.24 0.00 -0.52 0.00 0.00 55.73 53.32 1oua s ARG 119 Cb 0.00 -2.22 0.05 0.00 0.52 0.00 0.00 34.95 33.30 1oua s ARG 119 CO 0.00 -0.13 0.99 0.34 0.02 0.00 0.00 175.30 176.52 1oua s ASP 120 N -4.02 6.26 0.00 0.23 -1.08 -1.26 -4.87 116.67 111.93 1oua s ASP 120 Ca 0.45 -0.58 0.23 0.00 -0.52 0.00 0.00 52.55 52.12 1oua s ASP 120 Cb -0.01 -2.45 0.57 0.00 -1.46 0.00 0.00 42.92 39.58 1oua s ASP 120 CO 0.25 -1.38 1.49 1.33 0.52 0.00 0.00 175.17 177.39 1oua n VAL 121 N 6.13 0.81 -0.34 1.11 0.24 -1.26 -4.51 118.33 120.50 1oua n VAL 121 Ca 0.00 -0.88 0.10 0.00 -2.04 0.00 0.00 64.34 61.52 1oua n VAL 121 Cb 0.47 0.64 0.30 0.00 -1.47 0.00 0.00 33.84 33.78 1oua n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1oua h ARG 122 N 4.27 0.82 -0.54 7.34 3.08 -1.93 -2.28 114.38 125.15 1oua h ARG 122 Ca 0.00 -0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.16 1oua h ARG 122 Cb 0.96 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1oua h ARG 122 CO 0.00 0.54 0.48 -0.56 -1.07 0.00 0.00 179.97 179.37 1oua h GLN 123 N 0.85 0.00 0.00 0.04 3.07 -1.97 -1.79 115.11 115.30 1oua h GLN 123 Ca 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.26 1oua h GLN 123 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.26 1oua h GLN 123 CO -0.30 0.00 -0.03 1.88 0.09 0.00 0.00 178.83 180.47 1oua h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.75 -3.29 116.97 112.05 1oua h TYR 124 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 1oua h TYR 124 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 1oua h TYR 124 CO 0.00 0.03 0.00 1.33 -1.05 0.00 0.00 178.16 178.47 1oua n VAL 125 N -3.13 0.00 -1.87 -2.88 0.24 -0.73 -4.83 118.33 105.14 1oua n VAL 125 Ca 0.01 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1oua n VAL 125 Cb 0.36 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 1oua n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1oua s GLN 126 N -0.31 4.19 0.00 7.34 -1.52 -0.87 -2.42 119.66 126.07 1oua s GLN 126 Ca 0.00 2.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.84 1oua s GLN 126 Cb 0.00 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 1oua s GLN 126 CO 0.00 -0.68 0.00 0.41 -0.25 0.00 0.00 175.29 174.77 1oua n GLY 127 N 3.88 0.85 0.03 3.09 0.00 -1.26 -4.89 105.19 106.88 1oua n GLY 127 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1oua n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oua n GLY 129 N 1.44 0.21 0.37 0.00 0.00 -1.26 -4.85 105.19 101.09 1oua n GLY 129 Ca 0.05 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1oua n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65