#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4r s GLY 19 N 0.00 2.18 0.15 2.89 0.00 -1.24 -4.68 107.32 106.61 1w4r s GLY 19 Ca 0.00 0.41 -0.24 0.00 0.00 0.00 0.00 44.72 44.89 1w4r s GLY 19 CO 0.00 0.73 0.82 -0.86 0.00 0.00 0.00 173.10 173.79 1w4r s GLN 20 N -3.96 1.28 -0.10 2.90 -2.07 -0.62 -4.92 119.66 112.17 1w4r s GLN 20 Ca 0.64 -0.63 0.03 0.00 -1.82 0.00 0.00 55.36 53.58 1w4r s GLN 20 Cb -0.16 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 1w4r s GLN 20 CO 0.34 -0.58 -0.19 0.42 -1.32 0.00 0.00 175.29 173.97 1w4r s ILE 21 N -3.49 1.68 -0.06 3.63 1.01 -1.26 -0.69 121.20 122.02 1w4r s ILE 21 Ca 0.08 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1w4r s ILE 21 Cb -0.02 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 1w4r s ILE 21 CO -0.02 0.48 -0.23 -1.10 0.00 0.00 0.00 174.94 174.07 1w4r s GLN 22 N 0.61 2.55 -0.08 2.79 -0.21 0.04 -1.36 119.66 124.01 1w4r s GLN 22 Ca -0.14 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.42 1w4r s GLN 22 Cb -0.16 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.63 1w4r s GLN 22 CO 0.04 0.42 -0.20 0.08 -2.12 0.00 0.00 175.29 173.51 1w4r s VAL 23 N -0.26 1.75 -0.36 1.09 1.01 0.29 -0.73 120.40 123.19 1w4r s VAL 23 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1w4r s VAL 23 Cb -0.13 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.83 1w4r s VAL 23 CO 0.03 0.49 0.11 -0.63 0.00 0.00 0.00 175.10 175.10 1w4r s ILE 24 N 0.29 2.72 0.45 2.22 1.01 0.85 -1.85 121.20 126.90 1w4r s ILE 24 Ca -0.13 -2.18 0.04 0.00 0.00 0.00 0.00 60.65 58.38 1w4r s ILE 24 Cb -0.16 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.41 1w4r s ILE 24 CO 0.06 -0.61 0.64 -0.76 0.00 0.00 0.00 174.94 174.27 1w4r s LEU 25 N 1.02 3.58 0.00 2.97 1.43 0.34 -1.28 118.68 126.74 1w4r s LEU 25 Ca 0.09 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1w4r s LEU 25 Cb -0.21 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1w4r s LEU 25 CO -0.06 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1w4r n GLY 26 N -2.02 1.71 3.80 -3.19 0.00 -1.19 -0.35 105.19 103.96 1w4r n GLY 26 Ca 0.05 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1w4r n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w4r s PRO 27 N -1.97 -0.35 0.66 1.61 0.04 -1.26 -3.54 135.00 130.18 1w4r s PRO 27 Ca 0.00 -0.39 -0.17 0.00 0.04 0.00 0.00 61.00 60.48 1w4r s PRO 27 Cb 0.00 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 1w4r s PRO 27 CO 0.00 -3.08 1.24 -1.64 0.04 0.00 0.00 177.00 173.56 1w4r s MET 28 N -5.78 2.54 -0.68 4.56 -1.94 -1.26 -3.59 119.30 113.14 1w4r s MET 28 Ca 0.75 1.89 0.00 0.00 -1.71 0.00 0.00 55.69 56.62 1w4r s MET 28 Cb -0.04 -1.87 0.00 0.00 2.01 0.00 0.00 34.83 34.93 1w4r s MET 28 CO 0.54 -1.56 0.00 1.19 -0.01 0.00 0.00 175.02 175.18 1w4r n PHE 29 N -2.09 0.00 0.96 -0.03 3.72 -1.26 -4.58 117.46 114.18 1w4r n PHE 29 Ca 0.14 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 1w4r n PHE 29 Cb 0.49 -1.47 0.15 0.00 -0.94 0.00 0.00 39.48 37.71 1w4r n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1w4r n SER 30 N 0.47 2.92 -0.45 4.37 3.41 -1.24 -4.62 113.62 118.49 1w4r n SER 30 Ca -0.06 -1.96 -0.04 0.00 -0.26 0.00 0.00 58.87 56.55 1w4r n SER 30 Cb 0.25 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1w4r n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w4r n GLY 31 N 1.35 0.26 0.26 5.00 0.00 -1.26 -4.71 105.19 106.08 1w4r n GLY 31 Ca 0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 1w4r n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w4r h LYS 32 N -0.03 0.70 -0.38 1.61 1.57 -1.93 -1.48 116.57 116.63 1w4r h LYS 32 Ca -0.08 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1w4r h LYS 32 Cb 1.06 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1w4r h LYS 32 CO 0.10 0.46 -0.09 0.77 -0.57 0.00 0.00 179.45 180.12 1w4r h SER 33 N 0.72 0.63 -0.39 0.86 0.02 -1.95 -0.19 113.55 113.25 1w4r h SER 33 Ca 0.29 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1w4r h SER 33 Cb 0.13 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1w4r h SER 33 CO -0.16 0.76 -0.04 0.74 -1.14 0.00 0.00 176.83 176.99 1w4r h THR 34 N 0.60 1.27 -0.67 -2.27 2.02 -1.83 -1.72 112.91 110.30 1w4r h THR 34 Ca 0.11 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 1w4r h THR 34 Cb 0.51 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1w4r h THR 34 CO 0.03 0.36 0.17 -0.08 0.37 0.00 0.00 175.52 176.37 1w4r h GLU 35 N 0.53 1.07 -0.25 6.66 4.57 -1.01 0.85 114.58 126.99 1w4r h GLU 35 Ca 0.10 -0.25 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1w4r h GLU 35 Cb 0.54 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.94 1w4r h GLU 35 CO 0.03 0.95 -0.07 1.25 -1.18 0.00 0.00 179.01 179.99 1w4r h LEU 36 N 1.00 -0.25 -0.80 1.64 6.46 -0.86 -1.31 115.31 121.18 1w4r h LEU 36 Ca 0.21 0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.93 1w4r h LEU 36 Cb 0.36 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1w4r h LEU 36 CO 0.00 -0.09 -0.42 0.24 -0.62 0.00 0.00 178.44 177.55 1w4r h MET 37 N -0.01 0.38 -0.41 1.25 2.86 -0.84 -0.75 114.93 117.40 1w4r h MET 37 Ca 0.12 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1w4r h MET 37 Cb 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1w4r h MET 37 CO -0.26 0.74 0.23 -0.09 1.06 0.00 0.00 176.91 178.59 1w4r h ARG 38 N 0.32 0.46 -0.35 1.72 2.43 -0.47 0.51 114.38 119.00 1w4r h ARG 38 Ca 0.03 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1w4r h ARG 38 Cb 0.88 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1w4r h ARG 38 CO 0.07 0.30 -0.15 0.00 -1.51 0.00 0.00 179.97 178.69 1w4r h ARG 39 N 0.47 0.72 -0.41 0.20 3.08 -0.74 -2.74 114.38 114.96 1w4r h ARG 39 Ca 0.17 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1w4r h ARG 39 Cb 0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1w4r h ARG 39 CO -0.09 0.91 0.10 0.28 -1.07 0.00 0.00 179.97 180.10 1w4r h VAL 40 N 0.50 1.23 0.00 2.04 2.07 -0.95 -2.77 116.25 118.36 1w4r h VAL 40 Ca 0.08 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1w4r h VAL 40 Cb 0.68 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1w4r h VAL 40 CO 0.05 0.27 -0.06 0.03 0.02 0.00 0.00 177.57 177.88 1w4r h ARG 41 N 0.53 0.00 -0.92 1.57 3.08 -0.86 -0.88 114.38 116.89 1w4r h ARG 41 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1w4r h ARG 41 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1w4r h ARG 41 CO 0.00 0.06 0.56 0.00 -1.07 0.00 0.00 179.97 179.52 1w4r h ARG 42 N 0.00 1.24 -0.34 0.04 3.08 -1.19 -1.36 114.38 115.86 1w4r h ARG 42 Ca -0.00 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 1w4r h ARG 42 Cb 0.12 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1w4r h ARG 42 CO 0.01 0.87 -0.44 0.74 -1.07 0.00 0.00 179.97 180.07 1w4r h PHE 43 N 1.26 1.10 -0.60 3.04 0.04 -1.36 -3.21 116.94 117.22 1w4r h PHE 43 Ca 0.33 -0.35 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1w4r h PHE 43 Cb -0.06 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1w4r h PHE 43 CO 0.00 1.18 0.23 0.37 -0.60 0.00 0.00 178.31 179.50 1w4r h GLN 44 N 0.70 0.89 0.00 1.51 4.15 -0.81 -1.73 115.11 119.81 1w4r h GLN 44 Ca 0.04 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1w4r h GLN 44 Cb 1.04 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.59 1w4r h GLN 44 CO 0.10 0.77 -0.04 0.97 -1.93 0.00 0.00 178.83 178.70 1w4r h ILE 45 N 0.83 0.12 -0.35 2.39 2.10 -1.36 -0.75 117.51 120.48 1w4r h ILE 45 Ca 0.20 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.62 1w4r h ILE 45 Cb 0.21 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1w4r h ILE 45 CO -0.02 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.09 1w4r n ALA 46 N -2.12 2.68 -1.62 0.18 0.00 -0.72 -4.92 120.51 113.98 1w4r n ALA 46 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 1w4r n ALA 46 Cb 0.28 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1w4r n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1w4r n GLN 47 N 0.52 -0.61 -2.60 0.00 1.13 -0.29 -5.04 117.38 110.50 1w4r n GLN 47 Ca 0.13 0.63 -0.37 0.00 -1.94 0.00 0.00 57.00 55.45 1w4r n GLN 47 Cb 0.45 -4.52 -0.05 0.00 0.11 0.00 0.00 30.24 26.23 1w4r n GLN 47 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1w4r s TYR 48 N -2.35 3.43 0.02 1.08 2.02 -0.77 -5.02 117.35 115.75 1w4r s TYR 48 Ca 0.00 1.69 -0.30 0.00 -0.37 0.00 0.00 57.07 58.09 1w4r s TYR 48 Cb 0.00 -3.09 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1w4r s TYR 48 CO 0.00 -0.39 1.29 0.15 -1.57 0.00 0.00 175.55 175.04 1w4r s LYS 49 N -2.23 4.35 0.06 -0.62 1.02 -1.26 -4.39 119.74 116.66 1w4r s LYS 49 Ca 0.54 1.85 0.08 0.00 0.02 0.00 0.00 55.97 58.46 1w4r s LYS 49 Cb -0.22 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 1w4r s LYS 49 CO 0.28 -0.44 -0.23 0.00 -0.92 0.00 0.00 175.35 174.05 1w4r s LEU 51 N -1.43 1.76 -0.06 0.00 2.96 0.07 -4.98 118.68 117.00 1w4r s LEU 51 Ca 0.09 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1w4r s LEU 51 Cb -0.09 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 1w4r s LEU 51 CO 0.03 0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.29 1w4r s VAL 52 N 0.35 3.00 -0.07 1.68 1.01 -1.26 -0.59 120.40 124.52 1w4r s VAL 52 Ca -0.08 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1w4r s VAL 52 Cb -0.12 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1w4r s VAL 52 CO 0.02 0.58 -0.24 -0.63 0.00 0.00 0.00 175.10 174.83 1w4r s ILE 53 N -0.54 2.08 0.12 2.22 1.01 0.33 -0.51 121.20 125.90 1w4r s ILE 53 Ca 0.07 -1.04 0.09 0.00 0.00 0.00 0.00 60.65 59.76 1w4r s ILE 53 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1w4r s ILE 53 CO 0.01 0.57 -0.21 -1.59 0.00 0.00 0.00 174.94 173.72 1w4r s LYS 54 N -0.00 1.18 0.01 2.79 0.00 -0.52 -0.73 119.74 122.48 1w4r s LYS 54 Ca -0.09 -1.23 -0.30 0.00 0.00 0.00 0.00 55.97 54.35 1w4r s LYS 54 Cb -0.15 -1.42 -0.07 0.00 0.00 0.00 0.00 37.83 36.19 1w4r s LYS 54 CO 0.05 0.32 1.60 -0.47 0.00 0.00 0.00 175.35 176.86 1w4r s TYR 55 N -1.34 2.36 0.31 1.78 5.04 -1.24 -1.16 117.35 123.11 1w4r s TYR 55 Ca 0.09 0.38 0.07 0.00 -2.44 0.00 0.00 57.07 55.17 1w4r s TYR 55 Cb -0.09 -3.88 0.50 0.00 0.35 0.00 0.00 41.96 38.84 1w4r s TYR 55 CO 0.05 -3.56 1.73 0.00 -1.34 0.00 0.00 175.55 172.43 1w4r h ALA 56 N 8.64 1.16 0.00 3.97 0.00 -1.02 -2.71 119.26 129.31 1w4r h ALA 56 Ca -0.40 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1w4r h ALA 56 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1w4r h ALA 56 CO 0.93 0.56 0.00 1.63 0.00 0.00 0.00 179.25 182.37 1w4r n LYS 57 N -4.06 0.02 -3.25 0.00 5.02 -1.26 -4.46 118.16 110.18 1w4r n LYS 57 Ca -0.01 0.04 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 1w4r n LYS 57 Cb 0.45 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1w4r n LYS 57 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1w4r s ASP 58 N -2.97 6.19 0.00 4.39 -1.08 -1.02 -4.90 116.67 117.27 1w4r s ASP 58 Ca 0.14 -1.22 0.08 0.00 -0.52 0.00 0.00 52.55 51.03 1w4r s ASP 58 Cb 0.17 -2.25 0.06 0.00 -1.46 0.00 0.00 42.92 39.45 1w4r s ASP 58 CO 0.48 -0.83 0.75 1.07 0.52 0.00 0.00 175.17 177.16 1w4r n THR 59 N 5.42 0.00 1.17 1.71 5.66 -1.26 -4.88 114.28 122.10 1w4r n THR 59 Ca -0.10 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 1w4r n THR 59 Cb 0.44 1.17 0.01 0.00 -1.55 0.00 0.00 70.33 70.39 1w4r n THR 59 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1w4r n ARG 60 N 0.44 0.59 0.00 1.09 1.85 -1.26 -5.23 116.66 114.14 1w4r n ARG 60 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1w4r n ARG 60 Cb 0.20 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 1w4r n ARG 60 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1w4r n ALA 75 N -0.51 -0.76 -2.54 2.89 0.00 -1.26 -5.19 120.51 113.14 1w4r n ALA 75 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1w4r n ALA 75 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1w4r n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1w4r s LEU 76 N 0.00 4.15 0.44 0.00 1.43 0.33 -4.79 118.68 120.25 1w4r s LEU 76 Ca 0.00 1.55 -0.22 0.00 -1.03 0.00 0.00 54.13 54.42 1w4r s LEU 76 Cb 0.00 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1w4r s LEU 76 CO 0.00 -0.71 1.05 -2.16 0.23 0.00 0.00 176.35 174.76 1w4r s PRO 77 N 3.29 3.96 0.05 1.29 0.04 -1.26 -1.43 135.00 140.95 1w4r s PRO 77 Ca 0.50 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 1w4r s PRO 77 Cb -0.19 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.11 1w4r s PRO 77 CO 0.11 -0.31 0.72 0.00 0.04 0.00 0.00 177.00 177.56 1w4r s ALA 78 N -1.80 -1.72 -0.16 8.56 0.00 -0.31 -4.87 121.76 121.47 1w4r s ALA 78 Ca 0.63 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.53 1w4r s ALA 78 Cb -0.20 0.46 -0.08 0.00 0.00 0.00 0.00 23.12 23.30 1w4r s ALA 78 CO 0.24 -0.63 0.21 0.00 0.00 0.00 0.00 175.76 175.58 1w4r s LEU 80 N -2.87 0.15 0.40 0.00 2.96 -1.26 -4.59 118.68 113.46 1w4r s LEU 80 Ca 0.00 0.56 0.15 0.00 -0.22 0.00 0.00 54.13 54.62 1w4r s LEU 80 Cb 0.04 0.75 0.84 0.00 0.50 0.00 0.00 46.19 48.32 1w4r s LEU 80 CO 0.26 -0.19 1.87 -0.07 -1.32 0.00 0.00 176.35 176.90 1w4r h LEU 81 N 7.57 0.00 -1.81 -0.68 3.38 -1.94 -1.98 115.31 119.86 1w4r h LEU 81 Ca -0.32 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.85 1w4r h LEU 81 Cb 1.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1w4r h LEU 81 CO 0.29 0.32 0.53 -0.09 0.09 0.00 0.00 178.44 179.58 1w4r h ARG 82 N 0.00 0.17 0.00 1.13 2.43 -1.97 -0.98 114.38 115.16 1w4r h ARG 82 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1w4r h ARG 82 Cb 0.60 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1w4r h ARG 82 CO 0.04 0.11 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.14 1w4r h ASP 83 N 0.17 0.00 -0.17 -3.80 3.32 -1.79 -2.74 116.42 111.42 1w4r h ASP 83 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1w4r h ASP 83 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1w4r h ASP 83 CO -0.06 0.03 0.00 1.33 -1.72 0.00 0.00 179.24 178.81 1w4r n VAL 84 N -3.15 1.49 0.03 -1.35 0.24 -0.42 -4.74 118.33 110.44 1w4r n VAL 84 Ca -0.00 -1.47 0.03 0.00 -2.04 0.00 0.00 64.34 60.86 1w4r n VAL 84 Cb 0.28 0.17 0.39 0.00 -1.47 0.00 0.00 33.84 33.21 1w4r n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1w4r h ALA 85 N 1.04 1.59 -0.09 2.33 0.00 -1.10 -1.90 119.26 121.13 1w4r h ALA 85 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1w4r h ALA 85 Cb 0.90 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1w4r h ALA 85 CO 0.05 0.32 -0.02 0.37 0.00 0.00 0.00 179.25 179.98 1w4r h GLN 86 N 0.46 0.17 -0.42 0.00 5.75 -1.85 -1.18 115.11 118.04 1w4r h GLN 86 Ca 0.11 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1w4r h GLN 86 Cb 0.13 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1w4r h GLN 86 CO -0.01 0.48 0.23 0.93 -2.65 0.00 0.00 178.83 177.81 1w4r h GLU 87 N -0.15 0.58 -0.12 1.69 5.08 -1.86 -2.77 114.58 117.03 1w4r h GLU 87 Ca 0.02 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1w4r h GLU 87 Cb 0.42 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1w4r h GLU 87 CO 0.01 0.43 -0.55 0.00 -1.00 0.00 0.00 179.01 177.90 1w4r h ALA 88 N 1.67 0.84 -0.15 3.43 0.00 -1.06 -2.75 119.26 121.23 1w4r h ALA 88 Ca 0.15 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1w4r h ALA 88 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1w4r h ALA 88 CO -0.02 0.69 0.13 -0.07 0.00 0.00 0.00 179.25 179.98 1w4r h LEU 89 N 0.27 0.00 -1.12 0.00 3.38 -0.92 -2.61 115.31 114.31 1w4r h LEU 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w4r h LEU 89 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1w4r h LEU 89 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1w4r n GLY 90 N -1.47 0.21 3.54 0.83 0.00 -1.04 -4.93 105.19 102.33 1w4r n GLY 90 Ca 0.01 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1w4r n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1w4r s VAL 91 N -1.92 1.98 -0.08 1.61 -7.23 -0.98 -5.00 120.40 108.77 1w4r s VAL 91 Ca 0.36 -2.11 0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1w4r s VAL 91 Cb 0.20 -2.74 -0.24 0.00 0.56 0.00 0.00 36.38 34.17 1w4r s VAL 91 CO 0.31 -0.14 0.51 0.00 -0.31 0.00 0.00 175.10 175.47 1w4r n ALA 92 N -0.80 1.43 -3.75 1.32 0.00 -0.22 -4.90 120.51 113.59 1w4r n ALA 92 Ca -0.05 -0.86 -0.26 0.00 0.00 0.00 0.00 53.44 52.28 1w4r n ALA 92 Cb 0.65 -0.70 -0.17 0.00 0.00 0.00 0.00 19.45 19.23 1w4r n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1w4r s VAL 93 N -2.57 1.08 -0.19 0.00 1.01 -0.95 -1.46 120.40 117.33 1w4r s VAL 93 Ca -0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 1w4r s VAL 93 Cb 0.08 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1w4r s VAL 93 CO 0.81 0.37 -0.16 -0.63 0.00 0.00 0.00 175.10 175.49 1w4r s ILE 94 N 1.31 2.45 -0.12 2.22 1.01 -0.05 -0.75 121.20 127.27 1w4r s ILE 94 Ca -0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1w4r s ILE 94 Cb -0.14 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1w4r s ILE 94 CO -0.04 0.51 0.14 -0.83 0.00 0.00 0.00 174.94 174.72 1w4r s GLY 95 N 1.27 2.16 -0.13 6.18 0.00 0.25 -0.60 107.32 116.44 1w4r s GLY 95 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1w4r s GLY 95 CO -0.09 -0.38 -0.12 -0.42 0.00 0.00 0.00 173.10 172.10 1w4r s ILE 96 N -1.04 1.35 -0.10 0.90 1.01 0.44 -0.52 121.20 123.25 1w4r s ILE 96 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1w4r s ILE 96 Cb -0.12 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1w4r s ILE 96 CO 0.04 0.42 0.18 -0.62 0.00 0.00 0.00 174.94 174.97 1w4r s ASP 97 N 1.57 6.46 -1.25 3.58 2.15 0.09 0.05 116.67 129.33 1w4r s ASP 97 Ca 0.05 0.55 -0.02 0.00 0.43 0.00 0.00 52.55 53.56 1w4r s ASP 97 Cb -0.13 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1w4r s ASP 97 CO -0.10 0.40 0.99 -0.62 -0.17 0.00 0.00 175.17 175.67 1w4r n GLU 98 N 1.95 -6.59 0.28 4.34 1.02 -0.69 -3.59 120.64 117.35 1w4r n GLU 98 Ca -0.19 0.81 0.18 0.00 -0.02 0.00 0.00 57.16 57.94 1w4r n GLU 98 Cb 0.55 -5.78 0.96 0.00 -0.02 0.00 0.00 31.44 27.15 1w4r n GLU 98 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1w4r h GLY 99 N -2.02 0.00 2.00 0.62 0.00 -1.16 -2.02 103.07 100.48 1w4r h GLY 99 Ca -0.59 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1w4r h GLY 99 CO 0.52 0.00 -0.00 0.06 0.00 0.00 0.00 176.54 177.12 1w4r h GLN 100 N 0.00 0.00 -0.01 4.80 -0.00 -1.84 -2.75 115.11 115.31 1w4r h GLN 100 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1w4r h GLN 100 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 1w4r h GLN 100 CO -0.00 0.00 -0.37 1.19 -0.00 0.00 0.00 178.83 179.65 1w4r n PHE 101 N -3.36 0.00 -3.42 0.06 3.72 -0.76 -4.33 117.46 109.38 1w4r n PHE 101 Ca -0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.97 1w4r n PHE 101 Cb 0.08 -0.14 -0.09 0.00 -0.94 0.00 0.00 39.48 38.39 1w4r n PHE 101 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1w4r s PHE 102 N -2.66 3.23 0.26 1.38 0.08 -1.04 -4.93 117.98 114.30 1w4r s PHE 102 Ca 0.19 0.18 0.32 0.00 0.12 0.00 0.00 56.93 57.74 1w4r s PHE 102 Cb 0.19 -2.59 1.44 0.00 -0.57 0.00 0.00 43.02 41.48 1w4r s PHE 102 CO 0.59 -0.31 2.03 -1.00 -0.10 0.00 0.00 175.22 176.42 1w4r h PRO 103 N 8.33 0.00 -0.66 0.24 0.13 -1.87 -2.81 132.00 135.36 1w4r h PRO 103 Ca -0.31 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.53 1w4r h PRO 103 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 1w4r h PRO 103 CO 0.65 0.08 0.27 -0.40 -0.23 0.00 0.00 178.00 178.37 1w4r n ASP 104 N -3.28 3.61 -0.36 1.44 5.75 -1.26 -4.70 116.55 117.75 1w4r n ASP 104 Ca -0.01 -3.52 -0.01 0.00 -0.01 0.00 0.00 54.79 51.25 1w4r n ASP 104 Cb 0.28 -0.72 0.13 0.00 -1.03 0.00 0.00 41.12 39.77 1w4r n ASP 104 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1w4r h ILE 105 N 1.47 1.20 -0.06 2.12 6.09 -1.82 -1.88 117.51 124.63 1w4r h ILE 105 Ca 0.36 -0.43 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 1w4r h ILE 105 Cb 2.23 -0.18 -0.00 0.00 0.47 0.00 0.00 36.82 39.33 1w4r h ILE 105 CO 0.71 0.23 -0.01 0.58 -3.07 0.00 0.00 178.15 176.58 1w4r h VAL 106 N 1.27 1.29 -0.37 2.19 2.07 -1.87 -1.72 116.25 119.11 1w4r h VAL 106 Ca 0.38 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1w4r h VAL 106 Cb -0.05 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1w4r h VAL 106 CO -0.11 0.25 0.08 -0.33 0.02 0.00 0.00 177.57 177.48 1w4r h GLU 107 N -0.23 0.60 -0.04 1.57 3.07 -1.89 -1.46 114.58 116.20 1w4r h GLU 107 Ca 0.01 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1w4r h GLU 107 Cb 0.41 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1w4r h GLU 107 CO 0.01 0.65 0.02 0.35 -1.40 0.00 0.00 179.01 178.63 1w4r h PHE 108 N 0.45 0.06 -0.44 4.33 3.57 -1.35 -1.59 116.94 121.98 1w4r h PHE 108 Ca 0.11 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1w4r h PHE 108 Cb 0.33 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1w4r h PHE 108 CO 0.02 0.19 0.04 0.00 -2.23 0.00 0.00 178.31 176.33 1w4r h GLU 110 N 0.59 0.88 -0.45 0.00 4.57 -1.26 -1.12 114.58 117.79 1w4r h GLU 110 Ca 0.13 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 1w4r h GLU 110 Cb 0.43 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1w4r h GLU 110 CO 0.02 0.75 -0.05 0.00 -1.18 0.00 0.00 179.01 178.55 1w4r h ALA 111 N 1.09 0.61 -0.49 2.92 0.00 -1.03 -0.85 119.26 121.51 1w4r h ALA 111 Ca 0.20 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1w4r h ALA 111 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1w4r h ALA 111 CO -0.02 0.45 -0.02 0.52 0.00 0.00 0.00 179.25 180.19 1w4r h MET 112 N 0.67 0.87 -0.51 0.00 2.86 -1.12 -1.06 114.93 116.64 1w4r h MET 112 Ca 0.12 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1w4r h MET 112 Cb 0.56 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1w4r h MET 112 CO 0.03 0.92 0.01 0.00 1.06 0.00 0.00 176.91 178.93 1w4r h ALA 113 N 0.92 0.68 0.00 6.32 0.00 -1.08 -1.07 119.26 125.03 1w4r h ALA 113 Ca 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1w4r h ALA 113 Cb 0.54 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1w4r h ALA 113 CO 0.03 0.48 -0.01 -0.91 0.00 0.00 0.00 179.25 178.84 1w4r h ASN 114 N 0.76 0.00 -0.38 0.00 2.35 -1.03 -0.97 115.58 116.31 1w4r h ASN 114 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1w4r h ASN 114 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1w4r h ASN 114 CO 0.02 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 1w4r n ALA 115 N -2.10 2.44 -0.19 -0.83 0.00 -0.41 -4.93 120.51 114.49 1w4r n ALA 115 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1w4r n ALA 115 Cb 0.22 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1w4r n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w4r n GLY 116 N 1.14 0.77 3.86 0.00 0.00 -0.37 -4.99 105.19 105.61 1w4r n GLY 116 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1w4r n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w4r s LYS 117 N -0.81 3.89 -0.34 1.61 3.01 -0.46 -3.67 119.74 122.98 1w4r s LYS 117 Ca 0.00 0.42 -0.23 0.00 -1.01 0.00 0.00 55.97 55.15 1w4r s LYS 117 Cb 0.00 -2.64 0.00 0.00 -1.01 0.00 0.00 37.83 34.18 1w4r s LYS 117 CO 0.00 0.30 0.77 0.99 0.51 0.00 0.00 175.35 177.92 1w4r s THR 118 N -1.80 4.78 -0.21 2.17 2.01 -0.54 -1.59 115.64 120.47 1w4r s THR 118 Ca 0.47 0.98 -0.04 0.00 0.31 0.00 0.00 61.69 63.42 1w4r s THR 118 Cb -0.12 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1w4r s THR 118 CO 0.20 -0.34 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.07 1w4r s VAL 119 N 3.00 3.53 -0.17 3.82 1.01 0.13 -0.88 120.40 130.84 1w4r s VAL 119 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1w4r s VAL 119 Cb -0.14 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1w4r s VAL 119 CO 0.15 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.88 1w4r s ILE 120 N 1.27 2.49 -0.14 2.22 1.01 0.23 -0.78 121.20 127.49 1w4r s ILE 120 Ca 0.03 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1w4r s ILE 120 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1w4r s ILE 120 CO -0.01 0.52 -0.21 -0.69 0.00 0.00 0.00 174.94 174.54 1w4r s VAL 121 N 1.04 2.01 -0.14 2.92 1.01 0.09 -0.42 120.40 126.91 1w4r s VAL 121 Ca -0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1w4r s VAL 121 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1w4r s VAL 121 CO -0.04 0.54 0.19 0.00 0.00 0.00 0.00 175.10 175.78 1w4r s ALA 122 N 0.90 3.75 -0.06 5.51 0.00 0.11 -0.10 121.76 131.85 1w4r s ALA 122 Ca -0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1w4r s ALA 122 Cb -0.15 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 20.90 1w4r s ALA 122 CO -0.03 0.36 0.75 0.00 0.00 0.00 0.00 175.76 176.84 1w4r s ALA 123 N -0.29 -1.80 0.23 0.00 0.00 -0.41 -0.78 121.76 118.71 1w4r s ALA 123 Ca 0.14 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 1w4r s ALA 123 Cb -0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 1w4r s ALA 123 CO 0.03 -0.38 1.36 -0.51 0.00 0.00 0.00 175.76 176.25 1w4r s LEU 124 N -1.27 4.41 0.07 0.00 1.43 -1.26 -3.14 118.68 118.91 1w4r s LEU 124 Ca -0.08 2.53 0.04 0.00 -1.03 0.00 0.00 54.13 55.59 1w4r s LEU 124 Cb -0.00 -3.62 -0.24 0.00 0.03 0.00 0.00 46.19 42.36 1w4r s LEU 124 CO 0.07 -0.59 1.10 -2.24 0.23 0.00 0.00 176.35 174.91 1w4r h ASP 125 N 5.03 0.15 -4.18 2.29 2.03 -1.93 -3.43 116.42 116.38 1w4r h ASP 125 Ca -0.46 -0.18 -0.45 0.00 -0.73 0.00 0.00 57.03 55.21 1w4r h ASP 125 Cb 1.22 -0.05 -0.20 0.00 -0.83 0.00 0.00 39.33 39.47 1w4r h ASP 125 CO 0.76 1.15 -0.78 -0.83 -1.03 0.00 0.00 179.24 178.51 1w4r s GLY 126 N -4.80 1.07 1.08 7.15 0.00 -1.26 -2.71 107.32 107.84 1w4r s GLY 126 Ca -0.02 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.31 1w4r s GLY 126 CO 0.84 -1.24 1.28 -0.51 0.00 0.00 0.00 173.10 173.47 1w4r s THR 127 N -1.64 1.84 0.02 0.90 -4.23 -0.18 -4.82 115.64 107.54 1w4r s THR 127 Ca 0.05 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.79 1w4r s THR 127 Cb -0.08 -2.84 0.22 0.00 1.34 0.00 0.00 72.50 71.15 1w4r s THR 127 CO 0.03 0.00 1.66 2.19 -0.54 0.00 0.00 174.62 177.96 1w4r h PHE 128 N -2.08 0.00 -0.54 3.99 -0.00 -1.91 0.50 116.94 116.90 1w4r h PHE 128 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.53 1w4r h PHE 128 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.19 1w4r h PHE 128 CO -1.87 0.00 0.00 1.04 -0.00 0.00 0.00 178.31 177.48 1w4r n GLN 129 N -2.34 2.43 -2.97 6.09 6.02 -1.26 -4.56 117.38 120.80 1w4r n GLN 129 Ca -0.01 -2.21 -0.22 0.00 -0.01 0.00 0.00 57.00 54.55 1w4r n GLN 129 Cb 0.14 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 29.93 1w4r n GLN 129 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1w4r n ARG 130 N 1.33 -4.06 -4.05 -1.09 1.74 0.16 -5.01 116.66 105.68 1w4r n ARG 130 Ca 0.20 0.83 -0.25 0.00 -0.77 0.00 0.00 57.85 57.86 1w4r n ARG 130 Cb 0.54 -5.63 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 1w4r n ARG 130 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1w4r s LYS 131 N -5.63 3.06 0.30 5.56 1.02 -1.26 -4.85 119.74 117.94 1w4r s LYS 131 Ca 0.26 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 1w4r s LYS 131 Cb -0.12 -2.72 -0.13 0.00 -0.52 0.00 0.00 37.83 34.34 1w4r s LYS 131 CO 0.32 0.48 1.33 -2.30 -0.92 0.00 0.00 175.35 174.26 1w4r n PRO 132 N -0.56 2.08 -3.26 -1.68 -0.02 -1.26 -1.01 135.00 129.29 1w4r n PRO 132 Ca -0.08 0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 1w4r n PRO 132 Cb 0.55 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 1w4r n PRO 132 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1w4r s PHE 133 N -0.71 3.14 0.00 6.00 2.19 -1.10 -4.67 117.98 122.83 1w4r s PHE 133 Ca 0.60 -0.72 0.00 0.00 0.33 0.00 0.00 56.93 57.14 1w4r s PHE 133 Cb -0.60 -3.38 0.00 0.00 -1.31 0.00 0.00 43.02 37.73 1w4r s PHE 133 CO 0.58 -0.93 0.00 0.41 1.83 0.00 0.00 175.22 177.10 1w4r n GLY 134 N 5.19 2.30 1.03 13.12 0.00 -1.26 -3.02 105.19 122.55 1w4r n GLY 134 Ca -0.09 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.51 1w4r n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4r n ALA 135 N 8.59 2.34 -0.14 4.61 0.00 -1.26 -4.68 120.51 129.97 1w4r n ALA 135 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 53.44 52.37 1w4r n ALA 135 Cb 0.00 -0.73 0.34 0.00 0.00 0.00 0.00 19.45 19.06 1w4r n ALA 135 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1w4r h ILE 136 N 3.57 1.10 0.00 0.00 6.09 -1.85 -1.46 117.51 124.97 1w4r h ILE 136 Ca 0.00 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 63.18 1w4r h ILE 136 Cb 0.88 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1w4r h ILE 136 CO 0.00 0.14 -0.17 -0.07 -3.07 0.00 0.00 178.15 174.98 1w4r h LEU 137 N 0.79 0.00 -1.72 2.19 3.38 -1.83 -1.43 115.31 116.69 1w4r h LEU 137 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1w4r h LEU 137 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1w4r h LEU 137 CO -0.07 0.17 0.00 0.78 0.09 0.00 0.00 178.44 179.42 1w4r h ASN 138 N 0.00 0.00 0.77 -0.43 2.35 -1.62 -0.77 115.58 115.88 1w4r h ASN 138 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1w4r h ASN 138 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1w4r h ASN 138 CO 0.02 0.00 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.38 1w4r h LEU 139 N 0.00 0.00 -0.08 1.61 3.38 -1.38 -3.37 115.31 115.47 1w4r h LEU 139 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w4r h LEU 139 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1w4r h LEU 139 CO 0.00 0.35 0.05 0.58 0.09 0.00 0.00 178.44 179.51 1w4r h VAL 140 N 0.00 1.03 0.00 1.22 2.07 -1.30 0.28 116.25 119.55 1w4r h VAL 140 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1w4r h VAL 140 Cb 0.83 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1w4r h VAL 140 CO 0.05 0.03 0.00 -0.65 0.02 0.00 0.00 177.57 177.02 1w4r h PRO 141 N 0.09 0.00 0.00 1.57 0.11 -1.76 -2.13 132.00 129.88 1w4r h PRO 141 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1w4r h PRO 141 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1w4r h PRO 141 CO -0.01 0.00 -0.64 1.28 -0.21 0.00 0.00 178.00 178.42 1w4r n LEU 142 N -2.44 0.64 -4.88 2.35 4.77 -0.02 -4.98 117.00 112.45 1w4r n LEU 142 Ca -0.00 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 1w4r n LEU 142 Cb 0.14 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1w4r n LEU 142 CO 0.17 0.16 -0.14 0.00 -1.33 0.00 0.00 177.39 176.25 1w4r s ALA 143 N -3.00 3.88 0.09 -1.18 0.00 -0.59 -4.71 121.76 116.25 1w4r s ALA 143 Ca 0.10 -0.63 0.11 0.00 0.00 0.00 0.00 51.96 51.53 1w4r s ALA 143 Cb 0.17 -1.99 0.04 0.00 0.00 0.00 0.00 23.12 21.35 1w4r s ALA 143 CO 0.75 0.64 1.42 0.93 0.00 0.00 0.00 175.76 179.50 1w4r h GLU 144 N 4.60 0.00 -3.58 0.00 3.07 -1.53 -3.45 114.58 113.69 1w4r h GLU 144 Ca -0.53 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.05 1w4r h GLU 144 Cb 1.22 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.80 1w4r h GLU 144 CO 0.61 0.76 -0.73 0.45 -1.40 0.00 0.00 179.01 178.70 1w4r s SER 145 N -6.65 0.07 -0.04 1.42 0.15 -1.14 -5.05 113.70 102.47 1w4r s SER 145 Ca 0.01 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 1w4r s SER 145 Cb 0.10 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1w4r s SER 145 CO 0.78 -0.10 0.07 -0.69 1.20 0.00 0.00 173.24 174.50 1w4r s VAL 146 N 0.81 -0.07 0.07 4.45 1.01 -1.26 -0.55 120.40 124.86 1w4r s VAL 146 Ca -0.07 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1w4r s VAL 146 Cb -0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1w4r s VAL 146 CO -0.02 0.10 -0.12 0.68 0.00 0.00 0.00 175.10 175.74 1w4r s VAL 147 N 1.31 0.94 -0.21 2.92 -7.23 -0.77 -5.00 120.40 112.36 1w4r s VAL 147 Ca -0.07 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1w4r s VAL 147 Cb -0.13 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 35.86 1w4r s VAL 147 CO -0.04 -0.31 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.54 1w4r s LYS 148 N -1.82 2.81 0.65 4.82 2.20 -1.26 -0.50 119.74 126.65 1w4r s LYS 148 Ca -0.03 -0.96 -0.09 0.00 -0.36 0.00 0.00 55.97 54.53 1w4r s LYS 148 Cb -0.09 -2.72 0.01 0.00 -1.51 0.00 0.00 37.83 33.51 1w4r s LYS 148 CO 0.02 -0.32 1.01 -0.51 -0.36 0.00 0.00 175.35 175.19 1w4r s LEU 149 N 1.26 3.05 0.17 5.43 1.43 0.53 -4.93 118.68 125.63 1w4r s LEU 149 Ca 0.01 0.97 0.10 0.00 -1.03 0.00 0.00 54.13 54.18 1w4r s LEU 149 Cb -0.15 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 1w4r s LEU 149 CO -0.09 -1.21 -0.17 0.42 0.23 0.00 0.00 176.35 175.53 1w4r s THR 150 N -3.20 2.80 0.48 5.49 -4.23 -1.26 -4.23 115.64 111.49 1w4r s THR 150 Ca 0.56 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1w4r s THR 150 Cb -0.11 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.43 1w4r s THR 150 CO 0.49 -0.07 0.40 0.00 -0.54 0.00 0.00 174.62 174.90 1w4r n ALA 151 N 0.26 0.78 -2.73 3.99 0.00 -0.50 -4.57 120.51 117.74 1w4r n ALA 151 Ca -0.12 -1.91 -0.37 0.00 0.00 0.00 0.00 53.44 51.04 1w4r n ALA 151 Cb 0.55 0.76 -0.07 0.00 0.00 0.00 0.00 19.45 20.69 1w4r n ALA 151 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1w4r s VAL 152 N -2.35 5.33 0.08 0.00 1.01 -1.26 -0.89 120.40 122.31 1w4r s VAL 152 Ca 0.30 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 1w4r s VAL 152 Cb -0.02 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1w4r s VAL 152 CO 0.19 0.48 1.61 0.00 0.00 0.00 0.00 175.10 177.39 1w4r n MET 154 N 5.27 0.06 -0.06 0.00 2.81 -0.38 -0.93 117.12 123.90 1w4r n MET 154 Ca 0.15 -0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 56.00 1w4r n MET 154 Cb 0.40 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.30 1w4r n MET 154 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1w4r n GLU 155 N -1.46 1.44 0.00 0.03 1.02 -1.26 -4.78 120.64 115.62 1w4r n GLU 155 Ca 0.08 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1w4r n GLU 155 Cb 0.33 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1w4r n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1w4r n PHE 157 N -0.15 0.00 -1.60 0.00 3.72 -0.11 -4.99 117.46 114.34 1w4r n PHE 157 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 1w4r n PHE 157 Cb 0.08 -1.47 0.22 0.00 -0.94 0.00 0.00 39.48 37.37 1w4r n PHE 157 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1w4r s ARG 158 N -1.61 -0.34 0.38 -1.08 0.52 -1.26 -4.61 118.95 110.95 1w4r s ARG 158 Ca 0.00 -0.37 -0.27 0.00 -0.52 0.00 0.00 55.73 54.57 1w4r s ARG 158 Cb 0.00 -1.73 -0.10 0.00 0.52 0.00 0.00 34.95 33.65 1w4r s ARG 158 CO 0.00 -3.07 1.37 -2.00 0.02 0.00 0.00 175.30 171.62 1w4r s GLU 159 N -5.77 4.07 -0.08 3.54 2.12 -1.26 -0.53 118.70 120.79 1w4r s GLU 159 Ca 0.74 2.33 0.05 0.00 0.36 0.00 0.00 54.97 58.45 1w4r s GLU 159 Cb -0.05 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 1w4r s GLU 159 CO 0.54 -0.47 -0.24 0.00 -0.54 0.00 0.00 175.26 174.55 1w4r s ALA 160 N -1.18 2.19 -0.57 6.30 0.00 -0.07 -4.27 121.76 124.16 1w4r s ALA 160 Ca 0.54 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.56 1w4r s ALA 160 Cb -0.42 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1w4r s ALA 160 CO 0.55 0.36 0.48 0.00 0.00 0.00 0.00 175.76 177.14 1w4r n ALA 161 N 3.22 2.68 -2.40 0.00 0.00 -1.02 -1.42 120.51 121.56 1w4r n ALA 161 Ca -0.18 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 1w4r n ALA 161 Cb 0.52 -0.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 1w4r n ALA 161 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1w4r s TYR 162 N -1.15 1.83 -0.12 0.00 2.02 -0.75 -4.16 117.35 115.01 1w4r s TYR 162 Ca 0.05 -0.92 0.03 0.00 -0.37 0.00 0.00 57.07 55.86 1w4r s TYR 162 Cb 0.05 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.49 1w4r s TYR 162 CO 0.18 0.02 -0.21 0.99 -1.57 0.00 0.00 175.55 174.96 1w4r s THR 163 N -3.32 1.91 -0.15 -0.71 2.01 -1.26 -0.60 115.64 113.52 1w4r s THR 163 Ca 0.33 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 1w4r s THR 163 Cb 0.07 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1w4r s THR 163 CO 0.13 0.52 0.05 -0.75 -0.69 0.00 0.00 174.62 173.88 1w4r s LYS 164 N 0.74 3.67 0.12 4.92 2.20 -0.07 -4.22 119.74 127.10 1w4r s LYS 164 Ca -0.10 -0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 54.89 1w4r s LYS 164 Cb -0.16 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 1w4r s LYS 164 CO 0.01 0.43 0.86 0.50 -0.36 0.00 0.00 175.35 176.78 1w4r s ARG 165 N -0.08 4.63 0.04 4.03 3.52 -1.26 -1.31 118.95 128.51 1w4r s ARG 165 Ca 0.06 1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 56.91 1w4r s ARG 165 Cb -0.12 -3.33 -0.27 0.00 -1.56 0.00 0.00 34.95 29.66 1w4r s ARG 165 CO 0.01 0.36 0.99 -0.07 -0.81 0.00 0.00 175.30 175.78 1w4r h LEU 166 N 5.12 0.36 0.00 -0.88 3.38 -1.18 -3.48 115.31 118.64 1w4r h LEU 166 Ca -0.44 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1w4r h LEU 166 Cb 1.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1w4r h LEU 166 CO 0.70 1.36 0.00 0.61 0.09 0.00 0.00 178.44 181.20 1w4r n GLY 167 N 1.59 0.94 0.57 0.83 0.00 -1.26 -5.05 105.19 102.80 1w4r n GLY 167 Ca -0.12 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.03 1w4r n GLY 167 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1w4r n THR 168 N -0.71 0.23 -1.67 2.61 -2.24 -1.26 -5.01 114.28 106.23 1w4r n THR 168 Ca 0.00 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1w4r n THR 168 Cb 0.00 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 1w4r n THR 168 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w4r n GLU 169 N 0.72 1.92 -0.00 -0.78 4.71 -1.26 -4.92 120.64 121.03 1w4r n GLU 169 Ca 0.09 0.67 0.08 0.00 -0.01 0.00 0.00 57.16 57.99 1w4r n GLU 169 Cb 0.36 -2.22 -0.11 0.00 -1.01 0.00 0.00 31.44 28.46 1w4r n GLU 169 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1w4r n LYS 170 N 0.87 0.97 -2.33 3.49 4.76 -1.26 -4.98 118.16 119.68 1w4r n LYS 170 Ca 0.07 -0.10 -0.36 0.00 -2.87 0.00 0.00 58.31 55.06 1w4r n LYS 170 Cb 0.34 -1.32 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 1w4r n LYS 170 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1w4r s GLU 171 N -2.88 3.68 0.02 1.97 1.03 -1.26 -4.96 118.70 116.30 1w4r s GLU 171 Ca -0.02 1.63 -0.26 0.00 0.03 0.00 0.00 54.97 56.36 1w4r s GLU 171 Cb 0.11 -2.25 -0.16 0.00 -0.80 0.00 0.00 34.13 31.02 1w4r s GLU 171 CO 0.64 -0.58 1.24 0.28 -1.33 0.00 0.00 175.26 175.51 1w4r h VAL 172 N 1.65 0.51 -3.10 1.83 2.07 -2.05 -3.40 116.25 113.76 1w4r h VAL 172 Ca -0.49 -0.47 -0.57 0.00 0.82 0.00 0.00 66.70 65.98 1w4r h VAL 172 Cb 1.24 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.63 1w4r h VAL 172 CO 0.59 0.08 0.84 -0.70 0.02 0.00 0.00 177.57 178.40 1w4r s GLU 173 N -4.79 3.41 -0.21 1.57 2.12 -1.26 -4.93 118.70 114.61 1w4r s GLU 173 Ca -0.14 0.00 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 1w4r s GLU 173 Cb 0.02 -4.05 0.06 0.00 0.26 0.00 0.00 34.13 30.43 1w4r s GLU 173 CO 0.52 -1.67 0.03 0.08 -0.54 0.00 0.00 175.26 173.68 1w4r s VAL 174 N 4.68 0.65 0.40 3.70 1.01 -1.26 -5.13 120.40 124.45 1w4r s VAL 174 Ca 0.37 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 1w4r s VAL 174 Cb -0.09 -1.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 1w4r s VAL 174 CO 0.22 -0.25 1.14 -0.63 0.00 0.00 0.00 175.10 175.58 1w4r s ILE 175 N 1.79 3.29 0.00 2.22 -1.09 -1.26 -4.96 121.20 121.19 1w4r s ILE 175 Ca -0.00 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1w4r s ILE 175 Cb -0.17 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1w4r s ILE 175 CO -0.10 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 1w4r n GLY 176 N 0.58 2.27 0.00 6.18 0.00 -1.26 -5.04 105.19 107.92 1w4r n GLY 176 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1w4r n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w4r n GLY 177 N -1.09 3.87 0.17 -0.02 0.00 -1.26 -4.89 105.19 101.97 1w4r n GLY 177 Ca 0.00 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.45 1w4r n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4r h ALA 178 N 0.20 1.00 0.00 4.61 0.00 -2.03 -0.62 119.26 122.42 1w4r h ALA 178 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1w4r h ALA 178 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1w4r h ALA 178 CO 0.00 0.00 -0.00 0.38 0.00 0.00 0.00 179.25 179.63 1w4r h ASP 179 N 0.00 0.00 0.00 0.00 2.03 -2.03 -3.35 116.42 113.07 1w4r h ASP 179 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1w4r h ASP 179 Cb 0.35 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1w4r h ASP 179 CO 0.00 0.00 -1.17 0.29 -1.03 0.00 0.00 179.24 177.33 1w4r n LYS 180 N -3.09 0.32 -3.97 4.15 5.02 -0.41 -4.93 118.16 115.24 1w4r n LYS 180 Ca 0.01 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1w4r n LYS 180 Cb 0.31 -1.09 -0.12 0.00 -0.02 0.00 0.00 35.03 34.12 1w4r n LYS 180 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1w4r s TYR 181 N -2.24 0.26 -0.06 2.13 2.02 -0.38 -0.54 117.35 118.54 1w4r s TYR 181 Ca -0.01 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 1w4r s TYR 181 Cb 0.02 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.39 1w4r s TYR 181 CO 0.15 -0.13 -0.20 -1.01 -1.57 0.00 0.00 175.55 172.79 1w4r s HIS 182 N -1.10 2.55 0.23 2.71 3.76 -0.43 -4.12 115.29 118.89 1w4r s HIS 182 Ca -0.11 -0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 1w4r s HIS 182 Cb -0.08 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.89 1w4r s HIS 182 CO -0.01 -0.08 1.43 -1.54 -0.85 0.00 0.00 174.74 173.70 1w4r s SER 183 N -0.31 6.69 0.05 1.40 1.04 -1.26 -0.89 113.70 120.41 1w4r s SER 183 Ca 0.01 2.60 -0.02 0.00 0.48 0.00 0.00 55.95 59.03 1w4r s SER 183 Cb -0.13 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 1w4r s SER 183 CO 0.02 -0.69 -0.00 0.68 0.98 0.00 0.00 173.24 174.24 1w4r s VAL 184 N 0.19 0.19 0.85 5.02 -7.23 0.23 -1.25 120.40 118.40 1w4r s VAL 184 Ca 0.60 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 1w4r s VAL 184 Cb -0.41 -1.32 0.14 0.00 0.56 0.00 0.00 36.38 35.35 1w4r s VAL 184 CO 0.40 -0.89 1.19 0.00 -0.31 0.00 0.00 175.10 175.50 1w4r h ARG 186 N -1.17 0.26 -0.31 0.00 2.43 -1.99 0.43 114.38 114.03 1w4r h ARG 186 Ca -0.44 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1w4r h ARG 186 Cb 1.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1w4r h ARG 186 CO 0.49 0.17 0.08 -0.07 -1.51 0.00 0.00 179.97 179.13 1w4r h LEU 187 N 0.27 0.47 -0.93 3.80 3.38 -1.97 -2.74 115.31 117.59 1w4r h LEU 187 Ca 0.20 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1w4r h LEU 187 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1w4r h LEU 187 CO -0.23 0.57 -0.52 0.00 0.09 0.00 0.00 178.44 178.35 1w4r h TYR 189 N 0.04 1.12 -0.09 0.00 3.20 -0.61 -2.60 116.97 118.03 1w4r h TYR 189 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1w4r h TYR 189 Cb 0.93 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1w4r h TYR 189 CO 0.00 0.51 0.00 1.19 -1.64 0.00 0.00 178.16 178.23 1w4r n PHE 190 N -4.59 0.09 0.00 -3.82 3.72 -1.07 -5.05 117.46 106.75 1w4r n PHE 190 Ca 0.16 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1w4r n PHE 190 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1w4r n PHE 190 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34