#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w08 s VAL 2 N 0.00 5.22 0.59 3.15 1.01 -1.26 -0.50 120.40 128.61 1w08 s VAL 2 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 1w08 s VAL 2 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1w08 s VAL 2 CO 0.00 -0.22 1.04 -0.36 0.00 0.00 0.00 175.10 175.56 1w08 s PHE 3 N 1.82 3.12 0.17 5.22 0.40 0.16 -4.99 117.98 123.88 1w08 s PHE 3 Ca 0.08 1.48 -0.22 0.00 -0.60 0.00 0.00 56.93 57.66 1w08 s PHE 3 Cb -0.18 -2.94 -0.08 0.00 0.51 0.00 0.00 43.02 40.34 1w08 s PHE 3 CO 0.11 -0.97 0.73 -1.21 0.70 0.00 0.00 175.22 174.58 1w08 s GLU 4 N -4.25 4.40 0.16 0.44 2.02 -1.26 -4.87 118.70 115.34 1w08 s GLU 4 Ca 0.62 0.99 -0.14 0.00 0.02 0.00 0.00 54.97 56.46 1w08 s GLU 4 Cb -0.14 -3.13 0.15 0.00 0.10 0.00 0.00 34.13 31.11 1w08 s GLU 4 CO 0.39 0.52 1.13 -2.13 0.02 0.00 0.00 175.26 175.19 1w08 n ARG 5 N 1.31 -0.19 0.11 1.61 0.63 -1.26 -1.07 116.66 117.81 1w08 n ARG 5 Ca -0.05 1.12 -0.03 0.00 -0.92 0.00 0.00 57.85 57.97 1w08 n ARG 5 Cb 0.50 -1.66 0.08 0.00 0.45 0.00 0.00 32.46 31.83 1w08 n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1w08 h GLU 7 N 0.00 -0.62 -0.16 0.00 4.81 -1.49 -0.48 114.58 116.64 1w08 h GLU 7 Ca -0.01 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1w08 h GLU 7 Cb 1.31 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.76 1w08 h GLU 7 CO 0.10 -0.41 -0.43 1.25 -0.73 0.00 0.00 179.01 178.78 1w08 h LEU 8 N -0.64 -1.37 -0.61 1.64 5.85 -1.37 0.34 115.31 119.15 1w08 h LEU 8 Ca -0.02 0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1w08 h LEU 8 Cb 0.57 0.56 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 1w08 h LEU 8 CO -0.03 -0.43 0.18 0.00 -0.34 0.00 0.00 178.44 177.83 1w08 h ALA 9 N 0.12 0.76 -0.07 1.25 0.00 -0.94 0.60 119.26 120.98 1w08 h ALA 9 Ca 0.08 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1w08 h ALA 9 Cb 0.63 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1w08 h ALA 9 CO -0.42 -0.25 -0.60 0.00 0.00 0.00 0.00 179.25 177.98 1w08 h ARG 10 N 0.34 0.22 -0.51 0.00 3.08 -0.81 -0.48 114.38 116.22 1w08 h ARG 10 Ca 0.32 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1w08 h ARG 10 Cb 0.43 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1w08 h ARG 10 CO -0.36 0.75 -0.12 1.15 -1.07 0.00 0.00 179.97 180.33 1w08 h THR 11 N 0.17 1.27 -0.53 2.04 2.02 0.78 0.12 112.91 118.78 1w08 h THR 11 Ca -0.01 -1.26 -0.10 0.00 0.77 0.00 0.00 66.41 65.81 1w08 h THR 11 Cb 1.09 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1w08 h THR 11 CO 0.09 0.44 -0.08 -0.07 0.37 0.00 0.00 175.52 176.27 1w08 h LEU 12 N 0.86 0.95 -0.19 2.58 3.38 0.45 -2.41 115.31 120.94 1w08 h LEU 12 Ca 0.13 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1w08 h LEU 12 Cb 0.67 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 1w08 h LEU 12 CO 0.05 1.05 -0.33 0.50 0.09 0.00 0.00 178.44 179.80 1w08 h LYS 13 N 0.87 -0.36 0.00 1.13 1.63 -0.71 0.79 116.57 119.92 1w08 h LYS 13 Ca 0.14 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1w08 h LYS 13 Cb 0.61 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1w08 h LYS 13 CO 0.04 -0.24 0.02 0.00 -3.45 0.00 0.00 179.45 175.82 1w08 h ARG 14 N -0.37 0.00 -0.41 1.90 3.08 -0.50 -2.63 114.38 115.46 1w08 h ARG 14 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1w08 h ARG 14 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1w08 h ARG 14 CO -0.39 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.79 1w08 n LEU 15 N -2.89 3.32 -0.07 3.04 4.77 0.23 -4.99 117.00 120.42 1w08 n LEU 15 Ca -0.03 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 1w08 n LEU 15 Cb 0.08 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1w08 n LEU 15 CO 0.17 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1w08 n GLY 16 N 1.29 0.66 0.08 -0.72 0.00 -0.96 -5.00 105.19 100.54 1w08 n GLY 16 Ca 0.18 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1w08 n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1w08 n MET 17 N -0.91 0.63 -1.66 1.61 2.81 -1.19 -4.36 117.12 114.05 1w08 n MET 17 Ca 0.00 0.30 -0.43 0.00 -1.81 0.00 0.00 57.70 55.76 1w08 n MET 17 Cb 0.43 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 1w08 n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1w08 s ASP 18 N -6.10 5.54 0.00 7.83 2.15 -1.26 -0.69 116.67 124.14 1w08 s ASP 18 Ca -0.05 1.84 0.00 0.00 0.43 0.00 0.00 52.55 54.77 1w08 s ASP 18 Cb 0.08 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1w08 s ASP 18 CO 0.82 -1.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 1w08 n GLY 19 N 5.67 1.08 3.66 2.66 0.00 0.09 -4.93 105.19 113.42 1w08 n GLY 19 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1w08 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1w08 s TYR 20 N -3.76 1.74 -1.43 1.61 5.04 0.13 -0.70 117.35 119.98 1w08 s TYR 20 Ca 0.00 -0.02 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 1w08 s TYR 20 Cb 0.00 -4.03 0.04 0.00 0.35 0.00 0.00 41.96 38.33 1w08 s TYR 20 CO 0.00 -4.41 0.84 0.54 -1.34 0.00 0.00 175.55 171.18 1w08 n ARG 21 N 7.30 -5.21 -0.00 4.97 5.12 -1.26 -1.92 116.66 125.65 1w08 n ARG 21 Ca 0.18 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 1w08 n ARG 21 Cb 0.42 -5.32 0.00 0.00 -1.16 0.00 0.00 32.46 26.40 1w08 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1w08 n GLY 22 N -1.66 2.66 3.59 -0.13 0.00 0.12 -4.99 105.19 104.79 1w08 n GLY 22 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1w08 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w08 s ILE 23 N -2.78 4.87 0.83 -0.61 1.01 -0.81 -4.76 121.20 118.96 1w08 s ILE 23 Ca 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 60.65 61.35 1w08 s ILE 23 Cb 0.00 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.49 1w08 s ILE 23 CO 0.00 -0.26 1.11 -0.94 0.00 0.00 0.00 174.94 174.86 1w08 s SER 24 N 1.72 3.83 0.22 3.58 1.04 -1.26 -0.74 113.70 122.10 1w08 s SER 24 Ca 0.27 1.97 -0.08 0.00 0.48 0.00 0.00 55.95 58.59 1w08 s SER 24 Cb -0.14 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.78 1w08 s SER 24 CO 0.14 -2.49 1.74 0.25 0.98 0.00 0.00 173.24 173.86 1w08 h LEU 25 N -1.44 0.26 -0.03 2.42 5.85 -1.92 -2.10 115.31 118.36 1w08 h LEU 25 Ca -0.43 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1w08 h LEU 25 Cb 1.25 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1w08 h LEU 25 CO 0.47 0.14 -0.04 0.00 -0.34 0.00 0.00 178.44 178.67 1w08 h ALA 26 N 1.46 -0.02 -0.96 1.25 0.00 -1.92 -0.84 119.26 118.25 1w08 h ALA 26 Ca 0.34 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.46 1w08 h ALA 26 Cb 0.45 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 1w08 h ALA 26 CO -0.34 -0.53 0.54 -0.91 0.00 0.00 0.00 179.25 178.02 1w08 h ASN 27 N -0.06 0.65 -0.45 0.00 2.35 -1.70 -0.17 115.58 116.19 1w08 h ASN 27 Ca 0.03 0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1w08 h ASN 27 Cb 0.10 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1w08 h ASN 27 CO -0.07 0.20 -0.02 -0.50 -1.65 0.00 0.00 177.43 175.39 1w08 h TRP 28 N 0.65 0.94 -0.06 1.19 -0.00 -0.76 0.96 115.95 118.87 1w08 h TRP 28 Ca 0.56 -0.15 -0.03 0.00 -0.00 0.00 0.00 58.89 59.27 1w08 h TRP 28 Cb 0.92 -0.25 -0.00 0.00 -0.00 0.00 0.00 29.16 29.83 1w08 h TRP 28 CO -0.04 0.86 -0.08 0.52 -0.00 0.00 0.00 178.44 179.70 1w08 h MET 29 N 0.80 0.17 -0.73 0.49 2.86 -0.88 0.51 114.93 118.14 1w08 h MET 29 Ca 0.15 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1w08 h MET 29 Cb 0.51 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 1w08 h MET 29 CO 0.03 0.64 0.47 0.00 1.06 0.00 0.00 176.91 179.11 1w08 h LEU 31 N 0.92 -1.00 -0.57 0.00 5.85 -0.43 -1.62 115.31 118.47 1w08 h LEU 31 Ca 0.29 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.18 1w08 h LEU 31 Cb -0.01 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.21 1w08 h LEU 31 CO -0.10 -0.63 -0.12 0.00 -0.34 0.00 0.00 178.44 177.25 1w08 h ALA 32 N -0.76 0.41 -0.55 1.25 0.00 0.92 -1.26 119.26 119.27 1w08 h ALA 32 Ca -0.09 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1w08 h ALA 32 Cb 0.81 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1w08 h ALA 32 CO 0.10 -0.43 -0.28 -0.22 0.00 0.00 0.00 179.25 178.42 1w08 h LYS 33 N 0.02 -0.13 -0.02 0.00 3.11 -0.03 0.33 116.57 119.84 1w08 h LYS 33 Ca 0.28 0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.97 1w08 h LYS 33 Cb 0.43 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.67 1w08 h LYS 33 CO -0.57 -0.09 -0.70 -1.49 -2.81 0.00 0.00 179.45 173.79 1w08 h TRP 34 N -0.14 0.13 0.16 1.91 4.06 -0.53 -2.91 115.95 118.63 1w08 h TRP 34 Ca 0.24 -0.06 -0.30 0.00 2.06 0.00 0.00 58.89 60.83 1w08 h TRP 34 Cb 0.52 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1w08 h TRP 34 CO -0.57 0.76 -1.40 0.93 -3.56 0.00 0.00 178.44 174.60 1w08 h GLU 35 N 0.07 0.34 0.00 0.49 4.39 -1.14 -3.44 114.58 115.29 1w08 h GLU 35 Ca -0.01 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1w08 h GLU 35 Cb 1.24 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 1w08 h GLU 35 CO 0.10 1.26 -0.14 -1.13 -1.16 0.00 0.00 179.01 177.94 1w08 n SER 36 N -3.56 0.69 -1.35 1.42 3.41 0.11 -4.78 113.62 109.56 1w08 n SER 36 Ca -0.13 -0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.29 1w08 n SER 36 Cb 1.05 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 65.20 1w08 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w08 n GLY 37 N 0.44 0.65 2.05 5.00 0.00 -1.10 -3.04 105.19 109.19 1w08 n GLY 37 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1w08 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1w08 n TYR 38 N -3.28 -0.26 -4.00 1.61 4.01 -1.25 -4.76 117.16 109.22 1w08 n TYR 38 Ca -0.15 0.03 -0.34 0.00 -0.16 0.00 0.00 57.90 57.27 1w08 n TYR 38 Cb 0.54 -1.63 -0.14 0.00 -0.31 0.00 0.00 39.34 37.80 1w08 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1w08 s ASN 39 N -2.85 4.05 0.23 7.72 3.84 -1.17 -0.67 114.94 126.09 1w08 s ASN 39 Ca 0.02 -0.44 0.25 0.00 0.21 0.00 0.00 52.86 52.90 1w08 s ASN 39 Cb -0.01 -1.68 0.91 0.00 -0.55 0.00 0.00 41.25 39.92 1w08 s ASN 39 CO 0.02 -0.00 1.74 0.35 -2.79 0.00 0.00 177.10 176.42 1w08 n THR 40 N 4.68 0.71 -0.52 -5.21 -2.24 0.34 -3.02 114.28 109.02 1w08 n THR 40 Ca -0.19 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.68 1w08 n THR 40 Cb 0.51 -0.90 0.30 0.00 -2.10 0.00 0.00 70.33 68.14 1w08 n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1w08 n ARG 41 N -2.25 3.29 -2.01 -0.78 1.74 -1.26 -4.11 116.66 111.27 1w08 n ARG 41 Ca 0.04 -2.67 -0.42 0.00 -0.77 0.00 0.00 57.85 54.03 1w08 n ARG 41 Cb 0.32 -1.70 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 1w08 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w08 s ALA 42 N -1.62 3.65 0.30 7.54 0.00 -1.17 -4.81 121.76 125.66 1w08 s ALA 42 Ca 0.44 1.32 0.09 0.00 0.00 0.00 0.00 51.96 53.81 1w08 s ALA 42 Cb 0.27 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 1w08 s ALA 42 CO 0.23 -0.73 -0.11 0.95 0.00 0.00 0.00 175.76 176.10 1w08 s THR 43 N 0.27 2.06 -0.29 0.00 -4.23 -1.26 -1.27 115.64 110.91 1w08 s THR 43 Ca 0.61 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1w08 s THR 43 Cb -0.42 -2.47 0.12 0.00 1.34 0.00 0.00 72.50 71.07 1w08 s THR 43 CO 0.40 -0.30 0.65 0.21 -0.54 0.00 0.00 174.62 175.04 1w08 s ASN 44 N -3.51 -1.08 -0.01 3.99 3.84 -0.87 -4.96 114.94 112.33 1w08 s ASN 44 Ca 0.30 1.55 -0.22 0.00 0.21 0.00 0.00 52.86 54.70 1w08 s ASN 44 Cb 0.01 2.09 -0.05 0.00 -0.55 0.00 0.00 41.25 42.75 1w08 s ASN 44 CO 0.14 -0.22 0.65 -0.47 -2.79 0.00 0.00 177.10 174.40 1w08 s TYR 45 N 2.63 3.66 -0.74 0.43 5.04 -1.26 -0.52 117.35 126.59 1w08 s TYR 45 Ca -0.07 1.25 -0.15 0.00 -2.44 0.00 0.00 57.07 55.67 1w08 s TYR 45 Cb -0.11 -2.69 0.18 0.00 0.35 0.00 0.00 41.96 39.69 1w08 s TYR 45 CO -0.19 0.27 0.71 -0.80 -1.34 0.00 0.00 175.55 174.20 1w08 s ASN 46 N 0.09 6.57 0.55 4.32 0.01 0.44 -4.91 114.94 122.00 1w08 s ASN 46 Ca 0.34 -2.34 0.33 0.00 -0.71 0.00 0.00 52.86 50.47 1w08 s ASN 46 Cb -0.18 -2.22 1.49 0.00 0.41 0.00 0.00 41.25 40.74 1w08 s ASN 46 CO 0.18 -0.71 1.85 0.00 -1.51 0.00 0.00 177.10 176.92 1w08 h ALA 47 N 8.22 2.85 -0.49 0.60 0.00 -1.93 1.01 119.26 129.52 1w08 h ALA 47 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1w08 h ALA 47 Cb 1.06 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1w08 h ALA 47 CO 0.87 -1.17 0.07 0.78 0.00 0.00 0.00 179.25 179.80 1w08 h GLY 48 N 0.00 0.57 0.00 0.00 0.00 -1.94 -3.30 103.07 98.39 1w08 h GLY 48 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1w08 h GLY 48 CO -0.00 -0.09 0.00 2.09 0.00 0.00 0.00 176.54 178.54 1w08 n ASP 49 N -5.15 0.71 0.00 0.19 5.68 -0.78 -5.01 116.55 112.21 1w08 n ASP 49 Ca 0.05 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1w08 n ASP 49 Cb 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1w08 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1w08 n ARG 50 N -0.16 -0.53 -1.96 0.11 1.74 0.34 -4.99 116.66 111.20 1w08 n ARG 50 Ca 0.00 0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 56.92 1w08 n ARG 50 Cb 0.36 -3.55 0.13 0.00 -1.02 0.00 0.00 32.46 28.38 1w08 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1w08 s SER 51 N -2.09 3.99 -0.03 0.55 1.04 -1.15 -4.70 113.70 111.30 1w08 s SER 51 Ca 0.00 0.51 -0.01 0.00 0.48 0.00 0.00 55.95 56.93 1w08 s SER 51 Cb 0.00 -0.84 0.03 0.00 0.10 0.00 0.00 66.02 65.32 1w08 s SER 51 CO 0.00 -2.20 0.06 -0.89 0.98 0.00 0.00 173.24 171.19 1w08 s THR 52 N -3.65 -0.08 -0.08 2.02 2.01 -1.26 0.17 115.64 114.77 1w08 s THR 52 Ca 0.67 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.80 1w08 s THR 52 Cb -0.08 -0.13 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 1w08 s THR 52 CO 0.50 0.10 0.30 -1.81 -0.69 0.00 0.00 174.62 173.02 1w08 s ASP 53 N 1.32 6.58 0.03 3.53 1.01 0.32 -1.84 116.67 127.62 1w08 s ASP 53 Ca -0.06 0.69 0.07 0.00 0.71 0.00 0.00 52.55 53.96 1w08 s ASP 53 Cb -0.13 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.60 1w08 s ASP 53 CO -0.04 0.28 -0.20 -0.31 0.21 0.00 0.00 175.17 175.11 1w08 s TYR 54 N -0.61 1.80 0.00 4.23 1.51 0.12 -2.05 117.35 122.35 1w08 s TYR 54 Ca 0.19 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1w08 s TYR 54 Cb -0.14 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1w08 s TYR 54 CO 0.08 0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 1w08 n GLY 55 N 2.07 -0.14 0.26 0.71 0.00 -0.40 -0.98 105.19 106.71 1w08 n GLY 55 Ca -0.17 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 44.97 1w08 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1w08 h ILE 56 N 0.00 0.93 -0.48 -0.61 2.10 -1.70 -0.93 117.51 116.82 1w08 h ILE 56 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1w08 h ILE 56 Cb 0.00 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1w08 h ILE 56 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 1w08 n PHE 57 N -4.42 1.08 -3.98 2.19 3.72 -1.26 -4.17 117.46 110.62 1w08 n PHE 57 Ca -0.03 -0.64 -0.33 0.00 -0.05 0.00 0.00 57.45 56.41 1w08 n PHE 57 Cb 0.09 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 1w08 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1w08 n GLN 58 N 0.61 -0.58 -1.99 -1.08 1.13 -0.35 -4.93 117.38 110.19 1w08 n GLN 58 Ca 0.21 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.83 1w08 n GLN 58 Cb 0.76 -2.05 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 1w08 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1w08 s ILE 59 N -3.94 2.65 0.18 5.09 -1.09 -0.15 -4.32 121.20 119.62 1w08 s ILE 59 Ca 0.25 0.52 -0.18 0.00 -2.23 0.00 0.00 60.65 59.01 1w08 s ILE 59 Cb -0.14 -3.33 -0.08 0.00 -1.58 0.00 0.00 42.46 37.33 1w08 s ILE 59 CO 0.76 0.07 0.64 0.21 -1.23 0.00 0.00 174.94 175.40 1w08 s ASN 60 N 0.57 6.98 0.43 3.58 3.84 -1.26 0.13 114.94 129.21 1w08 s ASN 60 Ca 0.62 1.28 0.24 0.00 0.21 0.00 0.00 52.86 55.21 1w08 s ASN 60 Cb -0.42 -2.37 0.41 0.00 -0.55 0.00 0.00 41.25 38.32 1w08 s ASN 60 CO 0.40 0.09 1.64 0.77 -2.79 0.00 0.00 177.10 177.21 1w08 h SER 61 N 3.60 0.00 0.12 -4.21 4.64 -1.67 -1.85 113.55 114.18 1w08 h SER 61 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1w08 h SER 61 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1w08 h SER 61 CO 0.65 0.00 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.46 1w08 h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.86 -3.36 114.38 116.36 1w08 h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1w08 h ARG 62 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1w08 h ARG 62 CO 0.00 0.06 -0.01 0.98 -1.51 0.00 0.00 179.97 179.49 1w08 n TYR 63 N -3.98 0.00 0.29 2.20 9.36 -1.25 -0.77 117.16 123.00 1w08 n TYR 63 Ca -0.03 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.27 1w08 n TYR 63 Cb 0.15 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.76 1w08 n TYR 63 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1w08 n TRP 64 N -0.31 0.00 -4.06 2.98 7.02 -0.70 0.50 117.44 122.87 1w08 n TRP 64 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 1w08 n TRP 64 Cb 0.00 -0.20 -0.05 0.00 -2.42 0.00 0.00 31.31 28.65 1w08 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1w08 s ASN 66 N -3.17 4.00 -0.03 0.00 2.47 -0.93 -3.24 114.94 114.04 1w08 s ASN 66 Ca 0.29 -0.40 0.04 0.00 0.42 0.00 0.00 52.86 53.21 1w08 s ASN 66 Cb -0.00 -1.64 0.07 0.00 -1.45 0.00 0.00 41.25 38.22 1w08 s ASN 66 CO 0.17 0.07 1.03 -0.90 -3.72 0.00 0.00 177.10 173.74 1w08 n ASP 67 N 4.19 2.05 0.00 -4.21 5.68 -1.26 -1.30 116.55 121.70 1w08 n ASP 67 Ca -0.19 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1w08 n ASP 67 Cb 0.52 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1w08 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1w08 n GLY 68 N -0.71 1.70 0.00 6.12 0.00 -1.26 -4.91 105.19 106.14 1w08 n GLY 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1w08 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w08 n LYS 69 N -2.00 0.00 -2.38 1.61 5.02 -1.26 -4.72 118.16 114.43 1w08 n LYS 69 Ca 0.00 0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 1w08 n LYS 69 Cb 0.00 -0.39 -0.02 0.00 -0.02 0.00 0.00 35.03 34.60 1w08 n LYS 69 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1w08 s ASN 70 N -1.91 6.66 0.00 4.39 3.84 -1.26 -4.88 114.94 121.77 1w08 s ASN 70 Ca 0.00 1.30 0.18 0.00 0.21 0.00 0.00 52.86 54.56 1w08 s ASN 70 Cb 0.00 -2.54 0.93 0.00 -0.55 0.00 0.00 41.25 39.09 1w08 s ASN 70 CO 0.00 -1.07 1.56 -0.81 -2.79 0.00 0.00 177.10 173.99 1w08 n PRO 71 N 7.30 0.26 -0.37 0.43 -0.04 -1.26 -2.07 135.00 139.24 1w08 n PRO 71 Ca 0.15 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 1w08 n PRO 71 Cb 0.46 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.65 1w08 n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1w08 n GLY 72 N 0.28 3.48 3.91 0.55 0.00 -1.26 -5.05 105.19 107.10 1w08 n GLY 72 Ca 0.09 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1w08 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w08 s ALA 73 N -2.11 3.07 -0.03 4.61 0.00 -0.88 -5.05 121.76 121.36 1w08 s ALA 73 Ca 0.36 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1w08 s ALA 73 Cb 0.26 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 20.56 1w08 s ALA 73 CO 0.12 -1.20 0.10 0.28 0.00 0.00 0.00 175.76 175.06 1w08 n VAL 74 N -2.91 0.18 -3.33 0.00 0.31 0.05 -4.95 118.33 107.69 1w08 n VAL 74 Ca 0.07 -0.21 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 1w08 n VAL 74 Cb 0.59 -0.15 0.06 0.00 -0.91 0.00 0.00 33.84 33.43 1w08 n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1w08 n ASN 75 N -1.95 -5.84 0.16 4.52 5.15 -1.04 -4.87 115.26 111.40 1w08 n ASN 75 Ca -0.05 -0.42 0.19 0.00 -0.60 0.00 0.00 54.58 53.70 1w08 n ASN 75 Cb 0.40 -4.51 0.73 0.00 -0.53 0.00 0.00 39.78 35.87 1w08 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1w08 h ALA 76 N 0.90 1.91 -0.23 5.20 0.00 -0.07 -0.36 119.26 126.60 1w08 h ALA 76 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1w08 h ALA 76 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1w08 h ALA 76 CO 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1w08 n HIS 78 N 0.55 -1.51 -3.73 0.00 1.44 -0.15 -4.96 115.22 106.87 1w08 n HIS 78 Ca 0.16 0.19 -0.14 0.00 -2.01 0.00 0.00 57.72 55.92 1w08 n HIS 78 Cb 0.37 -2.84 -0.09 0.00 0.12 0.00 0.00 29.99 27.56 1w08 n HIS 78 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1w08 s LEU 79 N -7.09 0.58 0.50 2.39 0.05 -1.26 -5.08 118.68 108.77 1w08 s LEU 79 Ca 0.44 0.32 -0.23 0.00 0.05 0.00 0.00 54.13 54.71 1w08 s LEU 79 Cb -0.23 1.45 -0.07 0.00 -2.05 0.00 0.00 46.19 45.28 1w08 s LEU 79 CO 0.96 -0.40 1.31 -0.24 -0.55 0.00 0.00 176.35 177.42 1w08 n SER 80 N 1.58 2.57 0.06 1.48 2.88 -1.26 -2.18 113.62 118.75 1w08 n SER 80 Ca -0.19 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.49 1w08 n SER 80 Cb 0.56 -1.54 0.59 0.00 -0.75 0.00 0.00 64.21 63.07 1w08 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w08 h SER 82 N 0.18 0.00 0.00 0.00 4.64 -1.88 1.14 113.55 117.63 1w08 h SER 82 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1w08 h SER 82 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1w08 h SER 82 CO -0.03 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1w08 n ALA 83 N -2.47 2.13 1.07 5.18 0.00 0.30 -0.96 120.51 125.76 1w08 n ALA 83 Ca -0.03 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1w08 n ALA 83 Cb 0.11 -1.17 0.10 0.00 0.00 0.00 0.00 19.45 18.50 1w08 n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1w08 n LEU 84 N -0.78 1.43 -2.22 0.00 4.77 0.39 -4.17 117.00 116.42 1w08 n LEU 84 Ca 0.08 -0.50 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 1w08 n LEU 84 Cb 0.04 -0.06 0.15 0.00 -2.33 0.00 0.00 43.42 41.22 1w08 n LEU 84 CO 0.06 0.28 1.31 0.18 -1.33 0.00 0.00 177.39 177.88 1w08 n LEU 85 N -0.59 6.90 -4.68 2.23 4.77 -0.13 -3.87 117.00 121.62 1w08 n LEU 85 Ca 0.09 -3.79 -0.30 0.00 -0.03 0.00 0.00 56.01 51.98 1w08 n LEU 85 Cb 0.40 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1w08 n LEU 85 CO 0.31 1.17 -0.27 -1.58 -1.33 0.00 0.00 177.39 175.69 1w08 s GLN 86 N -3.43 2.05 0.04 3.23 2.00 -1.26 -4.70 119.66 117.60 1w08 s GLN 86 Ca 0.59 -2.20 -0.17 0.00 -2.00 0.00 0.00 55.36 51.57 1w08 s GLN 86 Cb 0.48 -1.62 -0.19 0.00 0.80 0.00 0.00 33.01 32.48 1w08 s GLN 86 CO 0.08 -0.17 1.21 -0.44 -0.50 0.00 0.00 175.29 175.47 1w08 h ASP 87 N 1.60 0.66 -3.12 6.67 3.32 -1.94 -3.40 116.42 120.21 1w08 h ASP 87 Ca -0.44 -0.67 -0.53 0.00 0.02 0.00 0.00 57.03 55.41 1w08 h ASP 87 Cb 1.27 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.63 1w08 h ASP 87 CO 0.78 1.22 0.62 0.21 -1.72 0.00 0.00 179.24 180.36 1w08 s ASN 88 N -6.77 6.99 -0.32 6.45 3.84 -1.26 -4.92 114.94 118.95 1w08 s ASN 88 Ca -0.12 2.12 0.08 0.00 0.21 0.00 0.00 52.86 55.15 1w08 s ASN 88 Cb 0.06 -2.58 0.55 0.00 -0.55 0.00 0.00 41.25 38.72 1w08 s ASN 88 CO 0.84 -0.54 1.57 2.30 -2.79 0.00 0.00 177.10 178.48 1w08 n ILE 89 N 3.95 2.69 -0.01 -5.21 -5.35 -1.26 -4.53 119.36 109.63 1w08 n ILE 89 Ca 0.10 -2.51 -0.06 0.00 -0.27 0.00 0.00 62.75 60.01 1w08 n ILE 89 Cb 0.45 -0.35 0.14 0.00 -1.74 0.00 0.00 39.64 38.13 1w08 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1w08 h ALA 90 N 1.08 0.94 -0.15 -1.28 0.00 -1.94 -2.43 119.26 115.48 1w08 h ALA 90 Ca 0.30 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1w08 h ALA 90 Cb 1.92 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1w08 h ALA 90 CO 0.54 0.61 -0.08 -0.44 0.00 0.00 0.00 179.25 179.88 1w08 h ASP 91 N 0.49 0.33 -0.74 0.00 3.32 -1.86 -0.56 116.42 117.41 1w08 h ASP 91 Ca 0.06 -0.42 0.14 0.00 0.02 0.00 0.00 57.03 56.83 1w08 h ASP 91 Cb 0.79 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.11 1w08 h ASP 91 CO 0.06 0.69 -0.21 0.00 -1.72 0.00 0.00 179.24 178.06 1w08 h ALA 92 N 0.66 0.41 -0.26 3.45 0.00 -1.79 0.06 119.26 121.79 1w08 h ALA 92 Ca 0.03 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1w08 h ALA 92 Cb 0.56 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1w08 h ALA 92 CO 0.02 -0.45 -0.19 0.28 0.00 0.00 0.00 179.25 178.91 1w08 h VAL 93 N -0.02 1.31 -0.70 0.00 2.07 -1.18 0.92 116.25 118.64 1w08 h VAL 93 Ca 0.34 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.61 1w08 h VAL 93 Cb 0.55 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 1w08 h VAL 93 CO -0.77 0.41 0.39 0.00 0.02 0.00 0.00 177.57 177.63 1w08 h ALA 94 N 0.71 0.95 -0.15 1.67 0.00 -0.30 0.17 119.26 122.31 1w08 h ALA 94 Ca 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1w08 h ALA 94 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1w08 h ALA 94 CO 0.05 0.06 -0.46 0.00 0.00 0.00 0.00 179.25 178.90 1w08 h ALA 96 N 1.21 1.28 0.05 0.00 0.00 0.28 -1.79 119.26 120.29 1w08 h ALA 96 Ca 0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1w08 h ALA 96 Cb 0.93 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1w08 h ALA 96 CO 0.08 0.14 -1.31 0.87 0.00 0.00 0.00 179.25 179.02 1w08 h LYS 97 N 0.00 0.11 -0.27 0.00 1.57 0.13 -2.63 116.57 115.48 1w08 h LYS 97 Ca -0.00 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1w08 h LYS 97 Cb 0.33 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1w08 h LYS 97 CO 0.01 0.97 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.75 1w08 h ARG 98 N 0.03 0.50 -0.18 3.15 9.65 -0.89 -0.01 114.38 126.63 1w08 h ARG 98 Ca -0.14 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1w08 h ARG 98 Cb 1.91 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.44 1w08 h ARG 98 CO 0.14 0.68 0.11 0.28 2.80 0.00 0.00 179.97 183.98 1w08 h VAL 99 N 0.27 1.07 0.00 0.20 2.07 -1.35 0.15 116.25 118.66 1w08 h VAL 99 Ca 0.07 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1w08 h VAL 99 Cb 0.47 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1w08 h VAL 99 CO 0.02 0.07 0.00 1.33 0.02 0.00 0.00 177.57 179.01 1w08 n VAL 100 N -4.94 0.00 0.16 2.57 0.24 -0.99 -0.98 118.33 114.40 1w08 n VAL 100 Ca -0.04 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.38 1w08 n VAL 100 Cb 0.05 -0.43 0.04 0.00 -1.47 0.00 0.00 33.84 32.02 1w08 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1w08 h ARG 101 N 0.00 0.00 -7.20 7.34 3.08 0.13 -3.40 114.38 114.34 1w08 h ARG 101 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1w08 h ARG 101 Cb 0.00 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.21 1w08 h ARG 101 CO 0.00 0.00 0.36 -0.51 -1.07 0.00 0.00 179.97 178.75 1w08 s ASP 102 N -5.38 4.00 0.30 7.04 1.01 -0.15 -4.87 116.67 118.61 1w08 s ASP 102 Ca 0.01 2.31 -0.01 0.00 0.71 0.00 0.00 52.55 55.57 1w08 s ASP 102 Cb 0.09 -2.58 0.45 0.00 1.01 0.00 0.00 42.92 41.89 1w08 s ASP 102 CO 0.77 -2.39 1.90 1.55 0.21 0.00 0.00 175.17 177.21 1w08 h PRO 103 N -0.58 0.91 0.00 8.23 0.13 -1.86 -0.06 132.00 138.77 1w08 h PRO 103 Ca -0.47 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1w08 h PRO 103 Cb 1.29 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1w08 h PRO 103 CO 0.48 0.71 0.10 0.37 -0.23 0.00 0.00 178.00 179.43 1w08 h GLN 104 N 0.91 0.00 0.00 0.86 4.15 -1.92 -3.48 115.11 115.63 1w08 h GLN 104 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1w08 h GLN 104 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1w08 h GLN 104 CO -0.03 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.28 1w08 n GLY 105 N -1.18 2.80 0.00 2.39 0.00 -0.04 -2.18 105.19 106.97 1w08 n GLY 105 Ca -0.02 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1w08 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1w08 n ILE 106 N 0.00 0.08 1.65 -0.61 3.06 -1.26 -3.04 119.36 119.24 1w08 n ILE 106 Ca 0.00 0.02 0.15 0.00 -2.50 0.00 0.00 62.75 60.42 1w08 n ILE 106 Cb 0.00 -0.60 0.81 0.00 0.54 0.00 0.00 39.64 40.39 1w08 n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1w08 n ARG 107 N -1.12 0.70 -0.16 9.51 1.74 -0.93 -2.53 116.66 123.87 1w08 n ARG 107 Ca 0.17 -0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.19 1w08 n ARG 107 Cb 0.14 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.31 1w08 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w08 h ALA 108 N 3.69 1.36 -2.22 7.54 0.00 -1.71 -3.40 119.26 124.52 1w08 h ALA 108 Ca 0.00 -0.12 -0.56 0.00 0.00 0.00 0.00 54.91 54.23 1w08 h ALA 108 Cb 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1w08 h ALA 108 CO 0.00 0.51 0.81 -1.58 0.00 0.00 0.00 179.25 178.99 1w08 s TRP 109 N -5.53 3.00 0.09 0.00 0.51 -1.05 -4.94 118.94 111.02 1w08 s TRP 109 Ca -0.10 1.10 -0.21 0.00 -2.12 0.00 0.00 56.10 54.76 1w08 s TRP 109 Cb 0.17 -3.47 -0.11 0.00 -0.81 0.00 0.00 33.47 29.24 1w08 s TRP 109 CO 0.79 -1.54 1.68 -0.39 -0.51 0.00 0.00 176.95 176.97 1w08 h VAL 110 N 5.28 1.10 -0.99 4.03 -1.51 -1.88 -2.36 116.25 119.92 1w08 h VAL 110 Ca -0.30 -0.27 0.14 0.00 -1.23 0.00 0.00 66.70 65.04 1w08 h VAL 110 Cb 1.13 1.07 -0.09 0.00 -2.13 0.00 0.00 31.29 31.28 1w08 h VAL 110 CO 0.93 0.09 0.62 0.00 -1.23 0.00 0.00 177.57 177.98 1w08 h ALA 111 N 0.95 1.61 -0.47 5.19 0.00 -1.96 -1.53 119.26 123.05 1w08 h ALA 111 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1w08 h ALA 111 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1w08 h ALA 111 CO -0.01 0.12 0.29 2.35 0.00 0.00 0.00 179.25 182.00 1w08 h TRP 112 N 0.90 0.54 -0.58 0.00 7.01 -1.72 -0.46 115.95 121.65 1w08 h TRP 112 Ca 0.51 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.57 1w08 h TRP 112 Cb 0.61 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.45 1w08 h TRP 112 CO -0.00 0.32 0.31 0.00 -2.79 0.00 0.00 178.44 176.27 1w08 h ARG 113 N 0.58 0.57 0.00 2.65 3.08 -1.10 0.83 114.38 120.99 1w08 h ARG 113 Ca 0.18 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 1w08 h ARG 113 Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1w08 h ARG 113 CO -0.07 0.38 -0.63 -0.91 -1.07 0.00 0.00 179.97 177.67 1w08 h ASN 114 N 0.59 0.00 0.00 7.04 2.35 -1.25 -3.31 115.58 121.00 1w08 h ASN 114 Ca 0.25 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.81 1w08 h ASN 114 Cb 0.14 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1w08 h ASN 114 CO -0.16 0.63 -1.71 0.54 -1.65 0.00 0.00 177.43 175.08 1w08 n ARG 115 N -3.59 2.22 -0.02 0.81 5.12 -0.19 -4.86 116.66 116.14 1w08 n ARG 115 Ca -0.00 -0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1w08 n ARG 115 Cb 0.67 -1.27 -0.03 0.00 -1.16 0.00 0.00 32.46 30.67 1w08 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1w08 s GLN 117 N -2.10 4.15 -1.03 0.00 0.74 -0.65 -1.64 119.66 119.13 1w08 s GLN 117 Ca -0.04 2.51 0.00 0.00 0.05 0.00 0.00 55.36 57.89 1w08 s GLN 117 Cb 0.01 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.28 1w08 s GLN 117 CO 0.16 -0.87 0.00 0.09 -0.55 0.00 0.00 175.29 174.12 1w08 n ASN 118 N 6.52 -4.51 -4.84 6.67 3.02 -1.26 -4.93 115.26 115.93 1w08 n ASN 118 Ca 0.18 0.24 -0.30 0.00 -0.03 0.00 0.00 54.58 54.68 1w08 n ASN 118 Cb 0.40 -2.86 -0.04 0.00 -0.61 0.00 0.00 39.78 36.67 1w08 n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1w08 s ARG 119 N -2.66 2.23 -0.29 3.52 0.52 -0.65 -5.10 118.95 116.51 1w08 s ARG 119 Ca 0.00 -2.21 -0.29 0.00 -0.52 0.00 0.00 55.73 52.71 1w08 s ARG 119 Cb 0.00 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1w08 s ARG 119 CO 0.00 -0.51 1.65 0.34 0.02 0.00 0.00 175.30 176.79 1w08 s ASP 120 N -4.10 6.19 -0.00 0.23 2.15 -1.26 -4.87 116.67 115.00 1w08 s ASP 120 Ca 0.20 1.37 0.03 0.00 0.43 0.00 0.00 52.55 54.58 1w08 s ASP 120 Cb -0.01 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1w08 s ASP 120 CO 0.12 -1.45 0.07 1.33 -0.17 0.00 0.00 175.17 175.07 1w08 n VAL 121 N 6.90 0.00 -0.27 1.11 0.24 -1.26 -4.58 118.33 120.47 1w08 n VAL 121 Ca 0.20 -0.10 0.08 0.00 -2.04 0.00 0.00 64.34 62.47 1w08 n VAL 121 Cb 0.46 0.48 0.20 0.00 -1.47 0.00 0.00 33.84 33.52 1w08 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1w08 h ARG 122 N 0.00 0.19 -0.95 7.34 3.08 -1.90 -0.75 114.38 121.38 1w08 h ARG 122 Ca 0.00 -0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.34 1w08 h ARG 122 Cb 0.13 -0.04 -0.16 0.00 0.08 0.00 0.00 29.97 29.97 1w08 h ARG 122 CO 0.00 0.12 0.29 -0.56 -1.07 0.00 0.00 179.97 178.75 1w08 h GLN 123 N 0.19 0.12 0.00 0.04 3.07 -1.96 2.66 115.11 119.22 1w08 h GLN 123 Ca 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.19 1w08 h GLN 123 Cb 0.83 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1w08 h GLN 123 CO -0.61 0.08 0.00 0.66 0.09 0.00 0.00 178.83 179.05 1w08 n TYR 124 N -5.29 0.11 0.14 0.06 4.01 -0.29 -2.26 117.16 113.65 1w08 n TYR 124 Ca 0.27 0.04 0.02 0.00 -0.16 0.00 0.00 57.90 58.07 1w08 n TYR 124 Cb 0.88 -0.57 -0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1w08 n TYR 124 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1w08 n VAL 125 N -1.60 0.00 -1.68 -0.72 0.24 0.87 -4.91 118.33 110.53 1w08 n VAL 125 Ca 0.04 -0.46 -0.45 0.00 -2.04 0.00 0.00 64.34 61.42 1w08 n VAL 125 Cb 0.19 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 1w08 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1w08 n GLN 126 N -0.55 2.25 -0.97 7.34 6.02 0.09 -0.95 117.38 130.62 1w08 n GLN 126 Ca 0.01 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1w08 n GLN 126 Cb 0.06 -2.59 0.00 0.00 1.02 0.00 0.00 30.24 28.73 1w08 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1w08 n GLY 127 N 3.49 0.51 0.01 1.08 0.00 -1.26 -4.84 105.19 104.17 1w08 n GLY 127 Ca 0.17 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1w08 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w08 n GLY 129 N 1.55 -1.11 0.00 0.00 0.00 -1.26 -4.99 105.19 99.39 1w08 n GLY 129 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1w08 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65