#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shk n THR 2 N 0.00 2.59 -1.66 2.03 -2.24 -1.26 -5.02 114.28 108.73 1shk n THR 2 Ca 0.00 -2.55 -0.35 0.00 -2.27 0.00 0.00 64.05 58.88 1shk n THR 2 Cb 0.00 -0.33 0.07 0.00 -2.10 0.00 0.00 70.33 67.97 1shk n THR 2 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1shk s GLU 3 N -3.20 2.47 0.46 -0.78 1.03 -1.26 -0.38 118.70 117.04 1shk s GLU 3 Ca 0.46 1.80 -0.25 0.00 0.03 0.00 0.00 54.97 57.01 1shk s GLU 3 Cb 0.41 -1.87 -0.08 0.00 -0.80 0.00 0.00 34.13 31.79 1shk s GLU 3 CO 0.02 -1.59 1.42 -1.25 -1.33 0.00 0.00 175.26 172.53 1shk s PRO 4 N -3.69 3.61 -0.25 -4.83 0.04 -1.26 -4.49 135.00 124.13 1shk s PRO 4 Ca 0.76 2.40 -0.06 0.00 0.04 0.00 0.00 61.00 64.14 1shk s PRO 4 Cb -0.30 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 1shk s PRO 4 CO 0.41 -0.87 0.03 0.42 0.04 0.00 0.00 177.00 177.02 1shk s ILE 5 N -1.21 3.84 -0.18 0.56 1.01 -0.80 -0.95 121.20 123.46 1shk s ILE 5 Ca 0.62 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 1shk s ILE 5 Cb -0.43 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1shk s ILE 5 CO 0.55 0.31 0.37 -0.36 0.00 0.00 0.00 174.94 175.81 1shk s PHE 6 N 1.53 3.41 -0.25 3.97 0.08 -0.22 -0.19 117.98 126.30 1shk s PHE 6 Ca 0.05 0.62 -0.10 0.00 0.12 0.00 0.00 56.93 57.62 1shk s PHE 6 Cb -0.15 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.78 1shk s PHE 6 CO 0.01 0.08 0.16 -1.64 -0.10 0.00 0.00 175.22 173.72 1shk s MET 7 N 1.01 3.97 0.24 0.44 -1.94 0.29 -0.82 119.30 122.50 1shk s MET 7 Ca 0.18 -0.32 0.10 0.00 -1.71 0.00 0.00 55.69 53.94 1shk s MET 7 Cb -0.14 -3.55 -0.05 0.00 2.01 0.00 0.00 34.83 33.10 1shk s MET 7 CO 0.07 -0.05 -0.16 0.14 -0.01 0.00 0.00 175.02 175.00 1shk s VAL 8 N 1.37 2.08 0.00 -6.03 -7.23 0.24 -2.23 120.40 108.61 1shk s VAL 8 Ca 0.07 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 1shk s VAL 8 Cb -0.15 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1shk s VAL 8 CO 0.07 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 1shk n GLY 9 N -0.51 2.26 3.89 2.32 0.00 -1.26 -0.62 105.19 111.27 1shk n GLY 9 Ca -0.06 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1shk n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shk s ALA 10 N -1.90 3.06 0.23 4.61 0.00 -1.26 -3.94 121.76 122.56 1shk s ALA 10 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 51.96 51.33 1shk s ALA 10 Cb 0.00 -2.95 -0.13 0.00 0.00 0.00 0.00 23.12 20.04 1shk s ALA 10 CO 0.00 -0.88 1.48 2.89 0.00 0.00 0.00 175.76 179.25 1shk n ARG 11 N -2.81 2.19 -0.20 0.00 1.85 -1.26 -1.14 116.66 115.29 1shk n ARG 11 Ca 0.06 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.69 1shk n ARG 11 Cb 0.56 -2.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.48 1shk n ARG 11 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1shk n GLY 12 N 2.45 0.77 0.15 2.89 0.00 -1.26 -4.88 105.19 105.30 1shk n GLY 12 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1shk n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shk n GLY 14 N 1.25 0.73 0.31 0.00 0.00 -1.26 -4.86 105.19 101.35 1shk n GLY 14 Ca 0.15 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1shk n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shk h LYS 15 N 0.00 -0.28 -0.24 1.61 1.57 -1.91 0.10 116.57 117.43 1shk h LYS 15 Ca 0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1shk h LYS 15 Cb 0.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1shk h LYS 15 CO 0.00 -0.18 0.14 1.15 -0.57 0.00 0.00 179.45 179.99 1shk h THR 16 N -0.29 1.09 -0.22 -0.16 2.02 -1.95 0.11 112.91 113.52 1shk h THR 16 Ca 0.14 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1shk h THR 16 Cb 0.51 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1shk h THR 16 CO -0.43 0.09 -0.05 0.74 0.37 0.00 0.00 175.52 176.24 1shk h THR 17 N 0.30 1.28 -0.23 3.16 2.02 -1.91 -0.56 112.91 116.96 1shk h THR 17 Ca 0.09 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.16 1shk h THR 17 Cb 0.02 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1shk h THR 17 CO -0.02 0.32 -0.15 0.58 0.37 0.00 0.00 175.52 176.62 1shk h VAL 18 N 0.16 1.31 -0.29 3.16 2.07 -0.85 -2.08 116.25 119.74 1shk h VAL 18 Ca 0.06 -1.26 0.07 0.00 0.82 0.00 0.00 66.70 66.38 1shk h VAL 18 Cb 0.50 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 1shk h VAL 18 CO 0.02 0.39 -0.30 1.23 0.02 0.00 0.00 177.57 178.93 1shk h GLY 19 N 0.23 -0.26 0.83 2.17 0.00 -0.68 0.19 103.07 105.54 1shk h GLY 19 Ca 0.05 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.78 1shk h GLY 19 CO 0.04 -0.21 0.13 -0.09 0.00 0.00 0.00 176.54 176.42 1shk h ARG 20 N -0.28 0.27 -0.19 4.80 2.43 -1.04 -1.15 114.38 119.21 1shk h ARG 20 Ca 0.15 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1shk h ARG 20 Cb 0.52 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1shk h ARG 20 CO -0.45 0.18 -0.37 0.93 -1.51 0.00 0.00 179.97 178.75 1shk h GLU 21 N 0.28 0.42 -0.30 0.20 5.08 -1.02 -1.24 114.58 118.01 1shk h GLU 21 Ca 0.12 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1shk h GLU 21 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1shk h GLU 21 CO -0.10 0.73 0.01 1.25 -1.00 0.00 0.00 179.01 179.90 1shk h LEU 22 N 0.35 0.50 -0.68 1.33 5.85 -0.39 -1.88 115.31 120.39 1shk h LEU 22 Ca 0.04 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1shk h LEU 22 Cb 0.81 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1shk h LEU 22 CO 0.07 0.67 0.40 0.00 -0.34 0.00 0.00 178.44 179.24 1shk h ALA 23 N 0.85 0.91 -0.37 1.25 0.00 -0.97 -0.65 119.26 120.26 1shk h ALA 23 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1shk h ALA 23 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1shk h ALA 23 CO 0.01 0.12 0.12 -0.09 0.00 0.00 0.00 179.25 179.41 1shk h ARG 24 N 0.76 0.58 -0.88 0.00 2.43 -1.08 0.26 114.38 116.45 1shk h ARG 24 Ca 0.29 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1shk h ARG 24 Cb 0.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1shk h ARG 24 CO -0.15 0.59 0.48 0.00 -1.51 0.00 0.00 179.97 179.38 1shk h ALA 25 N 0.96 1.18 0.00 2.80 0.00 -0.66 -2.57 119.26 120.97 1shk h ALA 25 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1shk h ALA 25 Cb 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1shk h ALA 25 CO -0.00 0.65 -0.26 1.28 0.00 0.00 0.00 179.25 180.92 1shk n LEU 26 N -4.33 0.28 -0.66 0.00 4.77 -0.32 -0.40 117.00 116.35 1shk n LEU 26 Ca 0.09 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 56.26 1shk n LEU 26 Cb 0.10 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1shk n LEU 26 CO 0.39 0.05 -0.08 0.61 -1.33 0.00 0.00 177.39 177.04 1shk n GLY 27 N 1.49 0.41 3.97 -0.72 0.00 -0.10 -4.04 105.19 106.21 1shk n GLY 27 Ca 0.06 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1shk n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1shk s TYR 28 N -2.30 3.09 0.90 1.61 1.51 0.71 -5.01 117.35 117.86 1shk s TYR 28 Ca 0.00 0.02 -0.12 0.00 -1.01 0.00 0.00 57.07 55.96 1shk s TYR 28 Cb 0.00 -2.33 0.13 0.00 -0.11 0.00 0.00 41.96 39.65 1shk s TYR 28 CO 0.00 -0.38 1.11 -1.21 -1.11 0.00 0.00 175.55 173.96 1shk s GLU 29 N -4.48 1.24 -0.07 -0.62 2.02 -0.07 -4.50 118.70 112.22 1shk s GLU 29 Ca 0.50 0.50 -0.04 0.00 0.02 0.00 0.00 54.97 55.95 1shk s GLU 29 Cb -0.10 -1.83 0.04 0.00 0.10 0.00 0.00 34.13 32.33 1shk s GLU 29 CO 0.36 -2.17 0.16 0.12 0.02 0.00 0.00 175.26 173.75 1shk s PHE 30 N -3.13 -0.19 -0.02 1.61 5.36 -1.26 -0.88 117.98 119.48 1shk s PHE 30 Ca 0.63 0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 57.08 1shk s PHE 30 Cb -0.16 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 1shk s PHE 30 CO 0.55 -0.16 0.08 0.08 -1.46 0.00 0.00 175.22 174.31 1shk s VAL 31 N 1.01 0.03 -0.19 3.12 1.01 -0.70 -4.98 120.40 119.71 1shk s VAL 31 Ca -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1shk s VAL 31 Cb -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1shk s VAL 31 CO -0.05 -0.16 -0.17 -0.62 0.00 0.00 0.00 175.10 174.10 1shk s ASP 32 N -0.49 3.39 0.33 3.32 -1.08 -1.26 -0.40 116.67 120.49 1shk s ASP 32 Ca -0.06 -0.59 0.03 0.00 -0.52 0.00 0.00 52.55 51.42 1shk s ASP 32 Cb -0.04 -1.54 0.64 0.00 -1.46 0.00 0.00 42.92 40.53 1shk s ASP 32 CO 0.00 -0.00 1.95 0.71 0.52 0.00 0.00 175.17 178.35 1shk h THR 33 N 5.88 1.06 -0.18 1.71 1.35 -1.31 -0.29 112.91 121.12 1shk h THR 33 Ca -0.45 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.08 1shk h THR 33 Cb 1.15 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1shk h THR 33 CO 0.63 0.16 -0.00 0.44 -0.25 0.00 0.00 175.52 176.50 1shk h ASP 34 N 0.89 0.32 -0.38 5.36 3.32 -1.94 -1.10 116.42 122.89 1shk h ASP 34 Ca 0.33 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1shk h ASP 34 Cb 0.19 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1shk h ASP 34 CO -0.11 0.56 -0.06 0.40 -1.72 0.00 0.00 179.24 178.31 1shk h ILE 35 N 0.07 1.25 -0.30 0.35 2.04 -1.84 -1.98 117.51 117.11 1shk h ILE 35 Ca 0.05 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1shk h ILE 35 Cb 0.40 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1shk h ILE 35 CO 0.01 0.38 0.19 0.15 0.00 0.00 0.00 178.15 178.88 1shk h PHE 36 N 0.73 0.39 -0.15 1.37 3.04 -0.97 -1.66 116.94 119.69 1shk h PHE 36 Ca 0.13 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.10 1shk h PHE 36 Cb 0.53 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 1shk h PHE 36 CO 0.03 0.28 0.04 0.52 -2.02 0.00 0.00 178.31 177.15 1shk h MET 37 N 0.39 0.10 -0.58 1.11 2.86 -0.84 -1.97 114.93 116.01 1shk h MET 37 Ca 0.11 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1shk h MET 37 Cb -0.00 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 1shk h MET 37 CO -0.02 0.07 0.28 0.37 1.06 0.00 0.00 176.91 178.67 1shk h GLN 38 N 0.10 0.52 -0.01 1.72 5.75 -0.94 -1.08 115.11 121.17 1shk h GLN 38 Ca 0.06 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1shk h GLN 38 Cb 0.05 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1shk h GLN 38 CO -0.08 0.34 -0.27 0.72 -2.65 0.00 0.00 178.83 176.90 1shk n HIS 39 N -4.88 0.00 -0.12 3.99 8.25 -0.66 -0.29 115.22 121.50 1shk n HIS 39 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 1shk n HIS 39 Cb 0.18 -0.08 -0.11 0.00 1.12 0.00 0.00 29.99 31.09 1shk n HIS 39 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1shk n THR 40 N -0.38 1.41 0.01 1.59 -2.24 -0.75 -4.59 114.28 109.33 1shk n THR 40 Ca 0.12 -0.53 -0.04 0.00 -2.27 0.00 0.00 64.05 61.34 1shk n THR 40 Cb 0.38 -1.39 -0.10 0.00 -2.10 0.00 0.00 70.33 67.11 1shk n THR 40 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1shk h SER 41 N -0.05 0.00 0.00 3.42 4.64 -1.29 -3.48 113.55 116.79 1shk h SER 41 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1shk h SER 41 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1shk h SER 41 CO -0.10 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1shk n GLY 42 N 1.46 0.86 3.52 -0.77 0.00 0.60 -5.02 105.19 105.84 1shk n GLY 42 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1shk n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1shk s MET 43 N -0.09 2.86 0.91 1.61 -1.94 -1.22 -4.98 119.30 116.44 1shk s MET 43 Ca 0.00 -0.60 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 1shk s MET 43 Cb 0.00 -2.58 0.15 0.00 2.01 0.00 0.00 34.83 34.41 1shk s MET 43 CO 0.00 0.56 1.20 0.95 -0.01 0.00 0.00 175.02 177.72 1shk s THR 44 N -0.53 1.97 0.23 2.05 -4.23 -1.26 -4.20 115.64 109.66 1shk s THR 44 Ca 0.08 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1shk s THR 44 Cb -0.12 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 70.90 1shk s THR 44 CO 0.02 0.00 1.68 1.62 -0.54 0.00 0.00 174.62 177.40 1shk h VAL 45 N -1.47 1.26 -0.71 2.29 3.04 -1.99 -0.47 116.25 118.21 1shk h VAL 45 Ca -0.47 -1.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.02 1shk h VAL 45 Cb 1.30 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 31.59 1shk h VAL 45 CO 0.55 0.41 0.41 0.00 -1.01 0.00 0.00 177.57 177.93 1shk h ALA 46 N 1.13 0.91 -0.23 3.17 0.00 -1.99 0.65 119.26 122.91 1shk h ALA 46 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1shk h ALA 46 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1shk h ALA 46 CO 0.04 0.39 0.12 -0.44 0.00 0.00 0.00 179.25 179.36 1shk h ASP 47 N 0.97 0.18 -0.32 0.00 3.32 -1.67 0.10 116.42 119.00 1shk h ASP 47 Ca 0.25 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1shk h ASP 47 Cb -0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1shk h ASP 47 CO -0.05 0.14 0.14 0.58 -1.72 0.00 0.00 179.24 178.33 1shk h VAL 48 N 0.25 1.17 -0.45 -1.35 2.07 -0.37 -1.92 116.25 115.64 1shk h VAL 48 Ca 0.09 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1shk h VAL 48 Cb 0.02 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1shk h VAL 48 CO -0.06 0.18 0.22 0.58 0.02 0.00 0.00 177.57 178.50 1shk h VAL 49 N 0.37 1.18 -0.68 2.57 2.07 -0.71 0.35 116.25 121.42 1shk h VAL 49 Ca 0.11 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1shk h VAL 49 Cb 0.15 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1shk h VAL 49 CO -0.01 0.20 0.39 0.00 0.02 0.00 0.00 177.57 178.17 1shk h ALA 50 N 1.06 1.42 0.00 1.67 0.00 -0.71 0.40 119.26 123.10 1shk h ALA 50 Ca 0.15 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1shk h ALA 50 Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1shk h ALA 50 CO -0.02 0.49 -1.43 0.00 0.00 0.00 0.00 179.25 178.29 1shk h ALA 51 N 1.50 0.63 0.00 0.00 0.00 -0.93 -3.42 119.26 117.04 1shk h ALA 51 Ca 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1shk h ALA 51 Cb -0.02 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1shk h ALA 51 CO -0.04 1.42 0.00 0.39 0.00 0.00 0.00 179.25 181.02 1shk n GLU 52 N -3.14 -0.03 -0.51 0.00 1.02 0.08 -5.09 120.64 112.96 1shk n GLU 52 Ca -0.10 -0.11 0.07 0.00 -0.02 0.00 0.00 57.16 56.99 1shk n GLU 52 Cb 1.00 -0.53 -0.02 0.00 -0.02 0.00 0.00 31.44 31.86 1shk n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1shk n GLY 53 N -0.00 -1.83 0.37 0.62 0.00 0.14 -2.27 105.19 102.21 1shk n GLY 53 Ca 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 46.02 44.69 1shk n GLY 53 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1shk h TRP 54 N -0.48 1.16 -1.00 1.61 4.06 -1.89 0.37 115.95 119.78 1shk h TRP 54 Ca -0.01 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.98 1shk h TRP 54 Cb 0.47 -0.37 -0.05 0.00 -1.00 0.00 0.00 29.16 28.21 1shk h TRP 54 CO -0.62 0.51 0.66 -1.35 -3.56 0.00 0.00 178.44 174.08 1shk h PRO 55 N 1.05 1.32 -0.35 0.49 0.11 -1.98 0.77 132.00 133.42 1shk h PRO 55 Ca 0.47 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.38 1shk h PRO 55 Cb 0.38 -0.30 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1shk h PRO 55 CO -0.23 0.88 -0.25 0.78 -0.21 0.00 0.00 178.00 178.97 1shk h GLY 56 N 1.36 0.85 1.00 -0.55 0.00 -0.52 -2.48 103.07 102.72 1shk h GLY 56 Ca 0.37 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1shk h GLY 56 CO -0.08 0.74 0.37 -2.75 0.00 0.00 0.00 176.54 174.82 1shk h PHE 57 N 0.56 0.79 -0.15 5.60 3.57 -0.77 -1.76 116.94 124.77 1shk h PHE 57 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1shk h PHE 57 Cb 0.81 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1shk h PHE 57 CO 0.06 0.53 -0.06 0.00 -2.23 0.00 0.00 178.31 176.62 1shk h ARG 58 N 0.81 0.22 -0.12 1.11 2.47 -0.78 0.85 114.38 118.94 1shk h ARG 58 Ca 0.22 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.84 1shk h ARG 58 Cb -0.03 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1shk h ARG 58 CO -0.04 0.29 -0.16 -0.09 0.56 0.00 0.00 179.97 180.53 1shk h ARG 59 N 0.21 0.33 -0.69 0.04 2.43 -1.22 -0.21 114.38 115.28 1shk h ARG 59 Ca 0.05 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1shk h ARG 59 Cb 0.25 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1shk h ARG 59 CO 0.01 0.76 0.41 0.00 -1.51 0.00 0.00 179.97 179.64 1shk h ARG 60 N -0.07 0.93 -0.63 0.20 3.08 -0.92 -0.50 114.38 116.47 1shk h ARG 60 Ca 0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1shk h ARG 60 Cb 0.72 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1shk h ARG 60 CO 0.04 0.66 0.35 1.49 -1.07 0.00 0.00 179.97 181.44 1shk h GLU 61 N 0.93 0.87 -0.62 0.04 4.81 -0.72 0.82 114.58 120.70 1shk h GLU 61 Ca 0.25 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1shk h GLU 61 Cb -0.03 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1shk h GLU 61 CO -0.05 0.64 0.37 0.77 -0.73 0.00 0.00 179.01 180.02 1shk h SER 62 N 0.85 0.60 -0.31 1.04 0.02 -0.65 -1.00 113.55 114.10 1shk h SER 62 Ca 0.22 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1shk h SER 62 Cb 0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1shk h SER 62 CO -0.04 0.41 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.65 1shk h GLU 63 N 0.73 0.71 -0.41 3.45 4.39 -0.38 -2.70 114.58 120.37 1shk h GLU 63 Ca 0.26 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1shk h GLU 63 Cb 0.05 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1shk h GLU 63 CO -0.12 0.79 0.16 0.00 -1.16 0.00 0.00 179.01 178.68 1shk h ALA 64 N 1.25 0.53 -0.28 3.43 0.00 -0.39 0.20 119.26 124.01 1shk h ALA 64 Ca 0.12 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1shk h ALA 64 Cb 0.54 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1shk h ALA 64 CO 0.03 0.15 -0.21 1.25 0.00 0.00 0.00 179.25 180.47 1shk h LEU 65 N 0.52 -0.69 -0.90 0.00 5.85 -0.99 -0.72 115.31 118.38 1shk h LEU 65 Ca 0.14 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 1shk h LEU 65 Cb 0.20 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1shk h LEU 65 CO -0.01 -0.25 0.16 1.56 -0.34 0.00 0.00 178.44 179.57 1shk h GLN 66 N -0.20 0.98 -0.35 1.25 4.20 -1.24 -1.99 115.11 117.76 1shk h GLN 66 Ca 0.15 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1shk h GLN 66 Cb 0.43 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1shk h GLN 66 CO -0.39 0.86 -0.27 0.00 -0.67 0.00 0.00 178.83 178.36 1shk h ALA 67 N 1.24 0.87 0.00 3.87 0.00 -0.32 -3.30 119.26 121.62 1shk h ALA 67 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1shk h ALA 67 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1shk h ALA 67 CO -0.00 0.63 -1.16 1.33 0.00 0.00 0.00 179.25 180.05 1shk n VAL 68 N -4.09 0.05 -2.00 0.00 0.24 -0.34 -4.89 118.33 107.29 1shk n VAL 68 Ca -0.00 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.71 1shk n VAL 68 Cb 0.45 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.33 1shk n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1shk s ALA 69 N -3.15 3.66 0.06 2.33 0.00 -0.76 -4.97 121.76 118.93 1shk s ALA 69 Ca 0.04 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.87 1shk s ALA 69 Cb 0.15 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.70 1shk s ALA 69 CO 0.85 -1.02 0.74 -0.08 0.00 0.00 0.00 175.76 176.24 1shk s THR 70 N 2.44 0.00 0.91 0.00 -1.32 -1.26 -5.01 115.64 111.41 1shk s THR 70 Ca 0.71 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.09 1shk s THR 70 Cb -0.38 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.76 1shk s THR 70 CO 0.31 0.00 1.14 -2.84 -2.21 0.00 0.00 174.62 171.02 1shk s PRO 71 N -3.15 1.03 -1.42 7.08 0.02 -1.26 -3.58 135.00 133.72 1shk s PRO 71 Ca 0.01 1.53 -0.11 0.00 0.02 0.00 0.00 61.00 62.46 1shk s PRO 71 Cb -0.01 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 32.81 1shk s PRO 71 CO -0.09 -2.61 1.11 0.09 -0.33 0.00 0.00 177.00 175.17 1shk n ASN 72 N -4.22 -5.90 -3.77 2.53 3.02 0.49 -4.86 115.26 102.55 1shk n ASN 72 Ca 0.12 -0.61 -0.13 0.00 -0.03 0.00 0.00 54.58 53.93 1shk n ASN 72 Cb 0.52 -4.66 -0.11 0.00 -0.61 0.00 0.00 39.78 34.92 1shk n ASN 72 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1shk s ARG 73 N -6.41 0.33 -0.17 3.52 3.52 -1.23 -0.89 118.95 117.62 1shk s ARG 73 Ca 0.61 0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 56.54 1shk s ARG 73 Cb -0.28 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.21 1shk s ARG 73 CO 0.75 -0.05 0.13 0.08 -0.81 0.00 0.00 175.30 175.40 1shk s VAL 74 N 0.24 5.38 -0.26 7.11 1.01 -0.05 -1.91 120.40 131.91 1shk s VAL 74 Ca -0.01 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1shk s VAL 74 Cb -0.03 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 32.99 1shk s VAL 74 CO -0.00 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1shk s VAL 75 N -0.07 2.35 0.07 2.92 1.01 0.73 -1.72 120.40 125.69 1shk s VAL 75 Ca 0.10 -1.54 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 1shk s VAL 75 Cb -0.11 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 1shk s VAL 75 CO -0.00 -0.01 0.80 0.00 0.00 0.00 0.00 175.10 175.88 1shk s ALA 76 N 1.15 3.36 0.14 5.51 0.00 0.47 -0.55 121.76 131.84 1shk s ALA 76 Ca -0.07 0.33 0.10 0.00 0.00 0.00 0.00 51.96 52.32 1shk s ALA 76 Cb -0.20 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1shk s ALA 76 CO -0.05 0.08 -0.22 0.95 0.00 0.00 0.00 175.76 176.52 1shk s THR 77 N -0.17 2.54 0.76 0.00 -4.23 -0.95 -0.76 115.64 112.83 1shk s THR 77 Ca 0.39 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1shk s THR 77 Cb -0.21 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.51 1shk s THR 77 CO 0.24 0.04 1.08 -0.83 -0.54 0.00 0.00 174.62 174.61 1shk s GLY 78 N -2.26 1.66 0.45 3.99 0.00 -1.26 -4.76 107.32 105.13 1shk s GLY 78 Ca 0.17 0.08 0.24 0.00 0.00 0.00 0.00 44.72 45.21 1shk s GLY 78 CO 0.09 0.44 1.81 -1.33 0.00 0.00 0.00 173.10 174.11 1shk h GLY 79 N -1.01 0.71 -2.54 0.20 0.00 -1.92 -1.57 103.07 96.94 1shk h GLY 79 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1shk h GLY 79 CO 0.55 -0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1shk n GLY 80 N -1.58 2.17 0.25 4.60 0.00 -1.26 -4.34 105.19 105.02 1shk n GLY 80 Ca 0.23 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1shk n GLY 80 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1shk h MET 81 N 4.28 0.00 -0.00 1.61 -1.53 -1.64 -2.23 114.93 115.42 1shk h MET 81 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1shk h MET 81 Cb 0.97 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.02 1shk h MET 81 CO 0.00 0.07 -0.01 1.33 0.14 0.00 0.00 176.91 178.45 1shk n VAL 82 N -4.45 0.00 -0.20 -5.77 0.24 -1.26 -4.02 118.33 102.87 1shk n VAL 82 Ca -0.03 -0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.19 1shk n VAL 82 Cb 0.15 -0.48 0.02 0.00 -1.47 0.00 0.00 33.84 32.06 1shk n VAL 82 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1shk h LEU 83 N 0.03 0.79 -9.50 1.34 4.07 -1.72 -3.43 115.31 106.90 1shk h LEU 83 Ca 0.00 -0.19 -0.56 0.00 0.08 0.00 0.00 57.88 57.21 1shk h LEU 83 Cb 0.26 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 1shk h LEU 83 CO 0.00 0.77 0.08 -0.76 -1.08 0.00 0.00 178.44 177.45 1shk s LEU 84 N -9.71 4.41 0.22 1.67 1.43 -1.26 -4.97 118.68 110.48 1shk s LEU 84 Ca -0.13 1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 54.18 1shk s LEU 84 Cb 0.12 -3.09 0.17 0.00 0.03 0.00 0.00 46.19 43.42 1shk s LEU 84 CO 0.79 0.02 1.85 -0.08 0.23 0.00 0.00 176.35 179.16 1shk h GLU 85 N 5.88 1.12 0.00 1.70 4.81 -1.93 -1.11 114.58 125.05 1shk h GLU 85 Ca -0.44 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 1shk h GLU 85 Cb 1.20 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 1shk h GLU 85 CO 0.71 0.81 -0.03 -0.56 -0.73 0.00 0.00 179.01 179.21 1shk h GLN 86 N 1.12 0.00 -0.20 1.92 3.07 -1.97 -1.23 115.11 117.83 1shk h GLN 86 Ca 0.29 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.84 1shk h GLN 86 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.56 1shk h GLN 86 CO -0.05 0.03 -0.63 -0.91 0.09 0.00 0.00 178.83 177.36 1shk h ASN 87 N 0.00 0.90 -0.77 0.06 2.35 -1.51 -1.19 115.58 115.43 1shk h ASN 87 Ca -0.00 -0.59 -0.05 0.00 -0.55 0.00 0.00 56.30 55.12 1shk h ASN 87 Cb 0.06 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1shk h ASN 87 CO 0.00 1.33 0.30 0.03 -1.65 0.00 0.00 177.43 177.45 1shk h ARG 88 N 0.52 1.16 -0.35 0.81 3.08 -0.83 -1.93 114.38 116.84 1shk h ARG 88 Ca -0.02 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 1shk h ARG 88 Cb 1.25 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1shk h ARG 88 CO 0.13 0.94 -0.20 0.37 -1.07 0.00 0.00 179.97 180.15 1shk h GLN 89 N 1.13 0.75 -0.17 0.04 4.15 -1.26 -2.51 115.11 117.24 1shk h GLN 89 Ca 0.26 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 59.36 1shk h GLN 89 Cb 0.23 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1shk h GLN 89 CO -0.02 0.96 0.01 0.35 -1.93 0.00 0.00 178.83 178.20 1shk h PHE 90 N 0.53 0.01 -0.39 3.99 3.04 -1.05 0.70 116.94 123.76 1shk h PHE 90 Ca 0.07 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1shk h PHE 90 Cb 0.75 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1shk h PHE 90 CO 0.06 -0.01 0.11 0.52 -2.02 0.00 0.00 178.31 176.97 1shk h MET 91 N 0.07 0.62 -0.02 1.11 2.86 -1.30 0.32 114.93 118.59 1shk h MET 91 Ca 0.08 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1shk h MET 91 Cb 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1shk h MET 91 CO -0.13 0.64 -0.46 0.00 1.06 0.00 0.00 176.91 178.02 1shk h ARG 92 N 0.49 0.06 0.35 1.72 3.08 -1.15 -1.28 114.38 117.64 1shk h ARG 92 Ca 0.13 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1shk h ARG 92 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1shk h ARG 92 CO -0.00 0.51 -0.17 0.00 -1.07 0.00 0.00 179.97 179.24 1shk h ALA 93 N 1.49 -0.79 -0.00 0.04 0.00 -0.73 -3.33 119.26 115.93 1shk h ALA 93 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1shk h ALA 93 Cb 0.84 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1shk h ALA 93 CO 0.06 -0.76 -0.12 0.45 0.00 0.00 0.00 179.25 178.89 1shk h HIS 94 N -0.63 0.00 0.00 0.00 3.86 -0.94 -3.46 115.15 113.98 1shk h HIS 94 Ca -0.05 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1shk h HIS 94 Cb 0.36 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1shk h HIS 94 CO 0.08 0.12 0.00 0.41 0.86 0.00 0.00 177.93 179.40 1shk n GLY 95 N -1.20 4.10 3.07 2.45 0.00 -0.49 -4.13 105.19 108.99 1shk n GLY 95 Ca -0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1shk n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1shk s THR 96 N 0.28 1.18 -0.10 2.61 2.01 -0.13 -4.54 115.64 116.96 1shk s THR 96 Ca 0.00 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1shk s THR 96 Cb 0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1shk s THR 96 CO 0.00 0.35 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.55 1shk s VAL 97 N 0.23 3.94 -0.11 3.82 1.01 -1.26 -1.05 120.40 126.97 1shk s VAL 97 Ca -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1shk s VAL 97 Cb -0.12 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1shk s VAL 97 CO 0.02 0.57 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 1shk s VAL 98 N -0.45 1.65 -0.27 2.92 1.01 -0.00 -0.37 120.40 124.89 1shk s VAL 98 Ca 0.07 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1shk s VAL 98 Cb -0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1shk s VAL 98 CO 0.02 0.47 0.24 -0.47 0.00 0.00 0.00 175.10 175.36 1shk s TYR 99 N 0.86 3.25 -0.57 5.22 5.04 -0.26 -0.59 117.35 130.29 1shk s TYR 99 Ca -0.09 0.23 -0.20 0.00 -2.44 0.00 0.00 57.07 54.58 1shk s TYR 99 Cb -0.15 -2.41 0.08 0.00 0.35 0.00 0.00 41.96 39.82 1shk s TYR 99 CO -0.00 -0.12 0.75 -0.51 -1.34 0.00 0.00 175.55 174.32 1shk s LEU 100 N 1.67 4.94 -0.05 6.97 1.43 0.21 -1.88 118.68 131.97 1shk s LEU 100 Ca 0.10 -1.07 -0.18 0.00 -1.03 0.00 0.00 54.13 51.95 1shk s LEU 100 Cb -0.15 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1shk s LEU 100 CO 0.09 -1.11 0.50 0.12 0.23 0.00 0.00 176.35 176.19 1shk s PHE 101 N 3.03 3.62 -0.11 0.29 5.36 -0.53 -4.60 117.98 125.05 1shk s PHE 101 Ca 0.16 1.02 -0.11 0.00 -0.96 0.00 0.00 56.93 57.05 1shk s PHE 101 Cb -0.20 -2.51 0.03 0.00 -0.34 0.00 0.00 43.02 40.00 1shk s PHE 101 CO 0.10 0.35 0.31 0.00 -1.46 0.00 0.00 175.22 174.52 1shk s ALA 102 N -0.07 -0.77 0.66 11.12 0.00 -1.26 -0.50 121.76 130.94 1shk s ALA 102 Ca 0.27 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 1shk s ALA 102 Cb -0.17 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 1shk s ALA 102 CO 0.13 -0.16 1.27 -2.14 0.00 0.00 0.00 175.76 174.86 1shk s PRO 103 N 0.04 2.48 0.30 0.00 0.02 -1.26 -4.69 135.00 131.89 1shk s PRO 103 Ca -0.01 1.98 0.05 0.00 0.02 0.00 0.00 61.00 63.04 1shk s PRO 103 Cb -0.02 -1.85 0.74 0.00 0.02 0.00 0.00 34.50 33.38 1shk s PRO 103 CO 0.01 -1.63 1.75 0.00 -0.33 0.00 0.00 177.00 176.80 1shk h ALA 104 N 0.38 1.59 -0.00 -1.55 0.00 -1.92 0.34 119.26 118.09 1shk h ALA 104 Ca -0.50 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1shk h ALA 104 Cb 1.32 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1shk h ALA 104 CO 0.52 -0.16 -0.41 1.49 0.00 0.00 0.00 179.25 180.70 1shk h GLU 105 N 0.64 -0.54 -0.59 0.00 4.81 -1.90 0.22 114.58 117.21 1shk h GLU 105 Ca 0.57 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.74 1shk h GLU 105 Cb 0.96 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1shk h GLU 105 CO -0.43 -0.36 -0.01 1.49 -0.73 0.00 0.00 179.01 178.98 1shk h GLU 106 N -0.56 1.04 -0.22 1.92 4.57 -1.56 0.00 114.58 119.78 1shk h GLU 106 Ca 0.05 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 57.94 1shk h GLU 106 Cb 0.64 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1shk h GLU 106 CO -0.31 1.03 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.44 1shk h LEU 107 N 0.95 -0.16 -0.35 1.64 3.38 -0.22 -2.02 115.31 118.53 1shk h LEU 107 Ca 0.17 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1shk h LEU 107 Cb 0.56 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1shk h LEU 107 CO 0.03 -0.05 0.12 0.00 0.09 0.00 0.00 178.44 178.63 1shk h ALA 108 N 1.21 0.41 -0.58 1.53 0.00 -0.37 -2.59 119.26 118.86 1shk h ALA 108 Ca 0.10 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1shk h ALA 108 Cb 0.15 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 1shk h ALA 108 CO -0.21 -0.27 -0.23 -0.07 0.00 0.00 0.00 179.25 178.47 1shk h LEU 109 N 0.27 -0.82 -8.90 0.00 4.07 -0.33 -3.38 115.31 106.22 1shk h LEU 109 Ca 0.16 0.20 -0.57 0.00 0.08 0.00 0.00 57.88 57.75 1shk h LEU 109 Cb 0.14 0.46 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1shk h LEU 109 CO -0.16 -0.25 1.44 -0.13 -1.08 0.00 0.00 178.44 178.25 1shk s ARG 110 N -6.13 3.07 -0.42 1.13 0.52 -0.82 -4.88 118.95 111.42 1shk s ARG 110 Ca -0.14 1.76 0.07 0.00 -0.52 0.00 0.00 55.73 56.90 1shk s ARG 110 Cb 0.17 -4.35 0.24 0.00 0.52 0.00 0.00 34.95 31.54 1shk s ARG 110 CO 0.72 -2.17 0.58 1.47 0.02 0.00 0.00 175.30 175.92 1shk n LEU 111 N 11.74 -0.64 -0.31 2.53 -0.00 -1.26 -4.87 117.00 124.19 1shk n LEU 111 Ca 0.28 -4.32 0.01 0.00 -0.00 0.00 0.00 56.01 51.98 1shk n LEU 111 Cb 0.47 0.67 0.03 0.00 -0.00 0.00 0.00 43.42 44.59 1shk n LEU 111 CO 0.67 2.03 0.43 0.00 -0.00 0.00 0.00 177.39 180.52 1shk n GLN 112 N 1.67 1.19 0.00 1.47 6.02 -1.26 -5.27 117.38 121.21 1shk n GLN 112 Ca 0.20 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1shk n GLN 112 Cb 0.55 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.55 1shk n GLN 112 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1shk n ILE 128 N -0.18 0.00 -0.11 5.09 0.13 -1.26 -5.30 119.36 117.74 1shk n ILE 128 Ca 0.02 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.53 1shk n ILE 128 Cb 0.16 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.93 1shk n ILE 128 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1shk h ALA 129 N 0.00 0.52 0.00 1.51 0.00 -1.91 -1.79 119.26 117.59 1shk h ALA 129 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1shk h ALA 129 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1shk h ALA 129 CO 0.00 0.63 -0.59 1.05 0.00 0.00 0.00 179.25 180.34 1shk h GLU 130 N 0.69 0.00 0.03 0.00 -0.00 -1.98 -2.32 114.58 110.99 1shk h GLU 130 Ca 0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.20 1shk h GLU 130 Cb 1.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.73 1shk h GLU 130 CO 0.10 0.12 -0.97 1.49 -0.00 0.00 0.00 179.01 179.75 1shk h GLU 131 N 0.00 0.13 0.01 1.06 4.57 -1.98 -2.28 114.58 116.09 1shk h GLU 131 Ca -0.02 -0.18 -0.19 0.00 -1.18 0.00 0.00 59.36 57.79 1shk h GLU 131 Cb 1.14 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1shk h GLU 131 CO 0.02 1.00 -0.90 0.52 -1.18 0.00 0.00 179.01 178.46 1shk h MET 132 N 0.06 0.03 -0.83 1.92 2.86 -1.35 -0.79 114.93 116.83 1shk h MET 132 Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1shk h MET 132 Cb 1.66 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.29 1shk h MET 132 CO 0.14 0.91 0.53 1.49 1.06 0.00 0.00 176.91 181.04 1shk h GLU 133 N 0.01 1.10 -0.01 1.72 4.81 -1.35 -0.63 114.58 120.23 1shk h GLU 133 Ca -0.02 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1shk h GLU 133 Cb 1.58 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1shk h GLU 133 CO 0.12 0.75 -0.81 0.00 -0.73 0.00 0.00 179.01 178.35 1shk h ALA 134 N 1.29 0.62 -0.36 2.92 0.00 -1.30 -1.38 119.26 121.05 1shk h ALA 134 Ca 0.30 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1shk h ALA 134 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1shk h ALA 134 CO -0.06 0.89 0.13 0.28 0.00 0.00 0.00 179.25 180.49 1shk h VAL 135 N 0.10 1.20 -0.18 0.00 2.07 -0.56 -2.16 116.25 116.71 1shk h VAL 135 Ca -0.03 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 1shk h VAL 135 Cb 1.41 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1shk h VAL 135 CO 0.12 0.22 -0.32 -0.07 0.02 0.00 0.00 177.57 177.54 1shk h LEU 136 N 0.43 0.37 -0.95 2.57 3.38 -1.05 0.16 115.31 120.22 1shk h LEU 136 Ca 0.12 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1shk h LEU 136 Cb 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1shk h LEU 136 CO -0.01 0.68 0.07 -0.09 0.09 0.00 0.00 178.44 179.19 1shk h ARG 137 N 0.32 0.84 -0.03 1.13 1.12 -1.07 0.23 114.38 116.93 1shk h ARG 137 Ca 0.04 -0.20 -0.25 0.00 -1.11 0.00 0.00 59.98 58.46 1shk h ARG 137 Cb 0.73 -0.11 0.01 0.00 -0.01 0.00 0.00 29.97 30.59 1shk h ARG 137 CO 0.06 0.80 -0.97 1.49 -3.11 0.00 0.00 179.97 178.23 1shk h GLU 138 N 0.80 0.65 0.00 0.20 4.81 -0.69 -3.42 114.58 116.92 1shk h GLU 138 Ca 0.17 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1shk h GLU 138 Cb 0.38 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1shk h GLU 138 CO 0.01 1.26 -0.76 0.54 -0.73 0.00 0.00 179.01 179.33 1shk n ARG 139 N -3.84 2.55 -0.21 1.92 1.74 0.47 -4.70 116.66 114.58 1shk n ARG 139 Ca -0.09 -0.02 0.01 0.00 -0.77 0.00 0.00 57.85 56.98 1shk n ARG 139 Cb 0.85 -0.92 0.10 0.00 -1.02 0.00 0.00 32.46 31.46 1shk n ARG 139 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1shk h GLU 140 N 0.00 0.08 -0.20 5.56 4.57 -0.73 0.29 114.58 124.15 1shk h GLU 140 Ca 0.00 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1shk h GLU 140 Cb 0.15 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1shk h GLU 140 CO 0.00 0.06 -0.19 0.00 -1.18 0.00 0.00 179.01 177.69 1shk h ALA 141 N 1.60 1.30 -0.34 2.92 0.00 -1.85 -1.35 119.26 121.53 1shk h ALA 141 Ca 0.33 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1shk h ALA 141 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1shk h ALA 141 CO -0.58 0.47 -0.45 -0.07 0.00 0.00 0.00 179.25 178.62 1shk h LEU 142 N 0.32 0.98 -0.37 0.00 3.38 -1.35 0.79 115.31 119.07 1shk h LEU 142 Ca 0.06 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1shk h LEU 142 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1shk h LEU 142 CO 0.03 1.28 0.21 1.88 0.09 0.00 0.00 178.44 181.94 1shk h TYR 143 N 0.72 0.49 -0.54 1.13 0.05 -0.52 -1.49 116.97 116.81 1shk h TYR 143 Ca 0.04 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1shk h TYR 143 Cb 1.05 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 1shk h TYR 143 CO 0.07 0.37 0.10 1.96 -1.05 0.00 0.00 178.16 179.61 1shk h GLN 144 N 0.47 0.88 -0.52 4.88 1.08 -1.22 -1.05 115.11 119.63 1shk h GLN 144 Ca 0.13 -0.23 0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1shk h GLN 144 Cb 0.03 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.30 1shk h GLN 144 CO -0.02 0.85 0.21 -0.44 -0.95 0.00 0.00 178.83 178.47 1shk h ASP 145 N 0.77 0.24 1.46 1.46 3.32 -0.61 -2.95 116.42 120.11 1shk h ASP 145 Ca 0.16 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1shk h ASP 145 Cb 0.38 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1shk h ASP 145 CO 0.01 0.17 -0.55 1.62 -1.72 0.00 0.00 179.24 178.76 1shk h VAL 146 N 0.40 0.59 -3.54 -1.35 3.04 -1.15 -3.46 116.25 110.79 1shk h VAL 146 Ca 0.25 -1.88 -0.52 0.00 -1.01 0.00 0.00 66.70 63.54 1shk h VAL 146 Cb 0.24 2.23 0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1shk h VAL 146 CO -0.23 0.34 0.53 0.00 -1.01 0.00 0.00 177.57 177.19 1shk s ALA 147 N -3.03 3.41 -0.02 3.17 0.00 -0.41 -4.67 121.76 120.21 1shk s ALA 147 Ca 0.03 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 1shk s ALA 147 Cb 0.07 -3.39 -0.27 0.00 0.00 0.00 0.00 23.12 19.53 1shk s ALA 147 CO 0.74 -0.31 0.75 0.45 0.00 0.00 0.00 175.76 177.39 1shk h HIS 148 N 5.07 0.45 -3.88 0.00 3.86 -1.02 -3.48 115.15 116.16 1shk h HIS 148 Ca -0.45 -0.33 -0.46 0.00 -1.16 0.00 0.00 60.37 57.97 1shk h HIS 148 Cb 1.21 -0.02 -0.31 0.00 1.06 0.00 0.00 27.41 29.36 1shk h HIS 148 CO 0.62 1.44 -0.80 0.71 0.86 0.00 0.00 177.93 180.76 1shk s TYR 149 N -2.60 1.16 -0.10 2.45 2.02 -0.73 -5.03 117.35 114.52 1shk s TYR 149 Ca -0.11 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1shk s TYR 149 Cb 0.07 -0.80 -0.00 0.00 -0.40 0.00 0.00 41.96 40.83 1shk s TYR 149 CO 0.84 -0.11 -0.23 0.08 -1.57 0.00 0.00 175.55 174.57 1shk s VAL 150 N 0.10 2.19 0.09 0.71 1.01 -1.26 -1.11 120.40 122.13 1shk s VAL 150 Ca -0.02 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.06 1shk s VAL 150 Cb -0.09 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1shk s VAL 150 CO 0.01 0.56 -0.20 0.54 0.00 0.00 0.00 175.10 176.01 1shk s VAL 151 N 0.33 1.60 -0.45 2.92 0.11 -0.79 -4.97 120.40 119.16 1shk s VAL 151 Ca -0.18 -1.48 -0.28 0.00 -2.93 0.00 0.00 61.98 57.11 1shk s VAL 151 Cb -0.18 -1.46 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1shk s VAL 151 CO 0.09 -0.07 1.65 -0.62 -3.33 0.00 0.00 175.10 172.81 1shk s ASP 152 N -1.84 5.92 0.00 3.54 2.15 -1.26 -1.46 116.67 123.72 1shk s ASP 152 Ca 0.05 0.80 0.09 0.00 0.43 0.00 0.00 52.55 53.92 1shk s ASP 152 Cb -0.10 -2.53 0.53 0.00 -0.30 0.00 0.00 42.92 40.52 1shk s ASP 152 CO 0.04 -1.78 1.32 0.00 -0.17 0.00 0.00 175.17 174.58 1shk n ALA 153 N 10.30 2.52 1.21 3.66 0.00 0.35 -3.22 120.51 135.32 1shk n ALA 153 Ca 0.19 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1shk n ALA 153 Cb 0.49 -1.15 0.30 0.00 0.00 0.00 0.00 19.45 19.09 1shk n ALA 153 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1shk n THR 154 N -0.64 0.00 -1.61 0.00 -2.24 -1.26 -4.83 114.28 103.70 1shk n THR 154 Ca 0.07 -0.18 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 1shk n THR 154 Cb 0.03 0.62 0.05 0.00 -2.10 0.00 0.00 70.33 68.93 1shk n THR 154 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1shk s GLN 155 N -2.44 3.01 0.75 -0.78 -0.21 -1.20 -5.03 119.66 113.76 1shk s GLN 155 Ca 0.24 0.95 -0.15 0.00 0.02 0.00 0.00 55.36 56.42 1shk s GLN 155 Cb 0.19 -2.00 0.05 0.00 1.00 0.00 0.00 33.01 32.25 1shk s GLN 155 CO 0.51 -1.04 1.24 -2.14 -2.12 0.00 0.00 175.29 171.74 1shk s PRO 156 N -5.03 1.96 0.29 2.91 0.02 -1.26 -4.80 135.00 129.09 1shk s PRO 156 Ca 0.58 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.50 1shk s PRO 156 Cb -0.14 -1.80 0.56 0.00 0.02 0.00 0.00 34.50 33.15 1shk s PRO 156 CO 0.54 -2.01 1.84 -1.35 -0.33 0.00 0.00 177.00 175.70 1shk h PRO 157 N -0.37 0.96 -0.60 5.54 0.11 -1.95 -1.82 132.00 133.87 1shk h PRO 157 Ca -0.48 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1shk h PRO 157 Cb 1.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1shk h PRO 157 CO 0.49 0.64 0.08 0.00 -0.21 0.00 0.00 178.00 178.99 1shk h ALA 158 N 1.54 0.99 -0.41 -0.75 0.00 -1.97 0.30 119.26 118.96 1shk h ALA 158 Ca 0.49 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1shk h ALA 158 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1shk h ALA 158 CO -0.26 0.63 -0.18 0.00 0.00 0.00 0.00 179.25 179.44 1shk h ALA 159 N 1.14 0.90 -0.37 0.00 0.00 -1.70 -1.82 119.26 117.41 1shk h ALA 159 Ca 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1shk h ALA 159 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1shk h ALA 159 CO 0.01 0.62 0.13 0.82 0.00 0.00 0.00 179.25 180.83 1shk h ILE 160 N 0.70 1.21 -0.20 0.00 2.04 -0.80 -1.75 117.51 118.70 1shk h ILE 160 Ca 0.10 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1shk h ILE 160 Cb 0.69 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1shk h ILE 160 CO 0.05 0.23 -0.15 0.58 0.00 0.00 0.00 178.15 178.86 1shk h VAL 161 N 0.45 0.58 -0.16 1.67 2.07 -0.87 0.39 116.25 120.37 1shk h VAL 161 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1shk h VAL 161 Cb 0.24 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1shk h VAL 161 CO -0.01 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.60 1shk h GLU 163 N 0.08 0.52 -0.63 0.00 4.81 -0.60 -2.48 114.58 116.27 1shk h GLU 163 Ca 0.07 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1shk h GLU 163 Cb 0.08 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1shk h GLU 163 CO -0.11 0.45 0.41 -0.07 -0.73 0.00 0.00 179.01 178.96 1shk h LEU 164 N 0.45 0.69 -1.13 1.64 3.38 0.03 0.12 115.31 120.49 1shk h LEU 164 Ca 0.13 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1shk h LEU 164 Cb 0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1shk h LEU 164 CO -0.02 0.49 0.59 0.24 0.09 0.00 0.00 178.44 179.83 1shk h MET 165 N 0.82 1.13 0.12 1.13 2.86 -1.27 0.15 114.93 119.88 1shk h MET 165 Ca 0.24 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1shk h MET 165 Cb -0.04 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.36 1shk h MET 165 CO -0.08 0.75 -0.06 0.37 1.06 0.00 0.00 176.91 178.96 1shk h GLN 166 N 1.17 -0.16 -0.24 1.72 5.75 -0.95 -1.97 115.11 120.44 1shk h GLN 166 Ca 0.34 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.85 1shk h GLN 166 Cb -0.06 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1shk h GLN 166 CO -0.09 0.27 0.13 1.15 -2.65 0.00 0.00 178.83 177.64 1shk h THR 167 N -0.65 1.12 0.00 2.39 2.02 -0.81 -2.77 112.91 114.21 1shk h THR 167 Ca -0.02 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1shk h THR 167 Cb 0.50 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1shk h THR 167 CO 0.03 0.12 0.00 0.23 0.37 0.00 0.00 175.52 176.27 1shk n MET 168 N -4.86 0.45 -3.48 6.66 2.81 0.51 -4.95 117.12 114.26 1shk n MET 168 Ca -0.03 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.66 1shk n MET 168 Cb 0.08 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.14 1shk n MET 168 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1shk n ARG 169 N -1.26 -2.43 -5.04 0.03 1.74 -0.88 -4.98 116.66 103.83 1shk n ARG 169 Ca 0.14 0.68 -0.32 0.00 -0.77 0.00 0.00 57.85 57.58 1shk n ARG 169 Cb 0.21 -5.12 -0.15 0.00 -1.02 0.00 0.00 32.46 26.38 1shk n ARG 169 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1shk s LEU 170 N -6.01 2.38 0.43 0.55 1.43 -0.79 -4.73 118.68 111.94 1shk s LEU 170 Ca 0.38 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 1shk s LEU 170 Cb -0.09 -1.49 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 1shk s LEU 170 CO 0.79 0.22 0.96 -2.16 0.23 0.00 0.00 176.35 176.40 1shk s PRO 171 N 0.02 4.21 0.70 1.29 0.04 -1.26 -4.70 135.00 135.30 1shk s PRO 171 Ca -0.07 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 1shk s PRO 171 Cb -0.15 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1shk s PRO 171 CO 0.05 -0.06 1.07 0.00 0.04 0.00 0.00 177.00 178.10 1shk s ALA 172 N -2.08 2.57 -2.00 8.56 0.00 -1.26 -4.69 121.76 122.86 1shk s ALA 172 Ca 0.61 0.20 0.15 0.00 0.00 0.00 0.00 51.96 52.92 1shk s ALA 172 Cb -0.11 -3.22 0.88 0.00 0.00 0.00 0.00 23.12 20.67 1shk s ALA 172 CO 0.15 -1.32 1.30 0.00 0.00 0.00 0.00 175.76 175.90