#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udw s PRO 20 N 0.00 3.67 -0.45 3.49 0.04 -1.26 -4.97 135.00 135.52 1udw s PRO 20 Ca 0.00 2.26 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1udw s PRO 20 Cb 0.00 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.99 1udw s PRO 20 CO 0.00 -0.77 0.49 0.12 0.04 0.00 0.00 177.00 176.87 1udw s PHE 21 N -1.26 3.15 -0.19 0.56 5.36 -0.31 -4.91 117.98 120.37 1udw s PHE 21 Ca 0.62 -0.51 -0.24 0.00 -0.96 0.00 0.00 56.93 55.84 1udw s PHE 21 Cb -0.40 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.13 1udw s PHE 21 CO 0.51 -0.82 0.76 -0.51 -1.46 0.00 0.00 175.22 173.71 1udw s LEU 22 N 2.20 4.16 -0.19 6.12 1.43 -1.26 -0.73 118.68 130.41 1udw s LEU 22 Ca 0.12 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1udw s LEU 22 Cb -0.19 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.93 1udw s LEU 22 CO 0.12 -0.37 -0.15 -0.63 0.23 0.00 0.00 176.35 175.55 1udw s ILE 23 N 2.13 2.42 -0.11 -0.59 1.01 0.88 -0.77 121.20 126.18 1udw s ILE 23 Ca 0.35 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1udw s ILE 23 Cb -0.16 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1udw s ILE 23 CO 0.11 0.48 0.48 -0.83 0.00 0.00 0.00 174.94 175.19 1udw s GLY 24 N 1.33 2.41 -0.12 6.18 0.00 -0.17 -0.87 107.32 116.08 1udw s GLY 24 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.61 1udw s GLY 24 CO -0.10 0.74 -0.18 0.14 0.00 0.00 0.00 173.10 173.70 1udw s VAL 25 N 0.49 1.74 0.39 1.40 1.01 0.12 -0.55 120.40 125.02 1udw s VAL 25 Ca 0.26 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1udw s VAL 25 Cb -0.15 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1udw s VAL 25 CO 0.11 0.49 0.13 -0.24 0.00 0.00 0.00 175.10 175.59 1udw n SER 26 N 4.18 1.35 0.00 3.32 2.88 0.47 -1.70 113.62 124.12 1udw n SER 26 Ca -0.19 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1udw n SER 26 Cb 0.51 0.94 0.00 0.00 -0.75 0.00 0.00 64.21 64.91 1udw n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udw n GLY 27 N -0.64 2.83 3.57 0.46 0.00 -1.26 0.25 105.19 110.41 1udw n GLY 27 Ca -0.06 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1udw n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1udw s GLY 28 N 0.00 1.56 0.35 -0.02 0.00 -1.26 -4.16 107.32 103.79 1udw s GLY 28 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 1udw s GLY 28 CO 0.00 0.05 1.43 -0.37 0.00 0.00 0.00 173.10 174.22 1udw n THR 29 N -4.75 1.88 -1.65 0.90 5.66 -1.26 -2.28 114.28 112.77 1udw n THR 29 Ca 0.11 -0.47 -0.19 0.00 -3.05 0.00 0.00 64.05 60.45 1udw n THR 29 Cb 0.59 -1.83 -0.07 0.00 -1.55 0.00 0.00 70.33 67.47 1udw n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1udw n ALA 30 N 0.60 -0.33 0.21 1.79 0.00 -1.26 -4.78 120.51 116.74 1udw n ALA 30 Ca 0.03 0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.84 1udw n ALA 30 Cb 0.37 -1.88 0.42 0.00 0.00 0.00 0.00 19.45 18.37 1udw n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1udw h SER 31 N 0.00 0.00 0.00 0.00 4.64 -1.80 -3.42 113.55 112.97 1udw h SER 31 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1udw h SER 31 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1udw h SER 31 CO 0.55 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1udw n GLY 32 N 0.15 1.89 0.23 -0.77 0.00 -1.26 -4.55 105.19 100.88 1udw n GLY 32 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1udw n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1udw h LYS 33 N 0.00 0.76 -0.64 1.61 1.57 -1.90 -0.96 116.57 117.01 1udw h LYS 33 Ca 0.00 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1udw h LYS 33 Cb 0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1udw h LYS 33 CO 0.00 0.58 0.13 0.77 -0.57 0.00 0.00 179.45 180.36 1udw h SER 34 N 0.73 0.99 -0.47 0.86 0.02 -1.98 -1.89 113.55 111.81 1udw h SER 34 Ca 0.19 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1udw h SER 34 Cb 0.03 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1udw h SER 34 CO -0.03 0.98 0.09 0.28 -1.14 0.00 0.00 176.83 177.01 1udw h SER 35 N 0.96 0.74 -0.69 3.07 0.02 -1.92 -0.74 113.55 114.99 1udw h SER 35 Ca 0.20 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1udw h SER 35 Cb 0.40 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1udw h SER 35 CO 0.01 0.80 0.42 0.58 -1.14 0.00 0.00 176.83 177.50 1udw h VAL 36 N 0.65 1.08 0.12 2.27 2.07 -0.99 0.37 116.25 121.82 1udw h VAL 36 Ca 0.14 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1udw h VAL 36 Cb 0.37 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1udw h VAL 36 CO 0.01 0.15 -0.06 0.00 0.02 0.00 0.00 177.57 177.69 1udw h ALA 38 N 0.60 0.66 -0.84 0.00 0.00 -0.61 -1.27 119.26 117.80 1udw h ALA 38 Ca -0.02 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1udw h ALA 38 Cb 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1udw h ALA 38 CO 0.03 -0.13 0.55 -0.22 0.00 0.00 0.00 179.25 179.48 1udw h LYS 39 N 0.46 0.88 -0.41 0.00 1.63 -0.06 0.97 116.57 120.05 1udw h LYS 39 Ca 0.24 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.86 1udw h LYS 39 Cb 0.18 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1udw h LYS 39 CO -0.19 0.58 -0.23 0.82 -3.45 0.00 0.00 179.45 176.98 1udw h ILE 40 N 0.91 1.27 0.14 2.00 2.04 -0.31 -0.82 117.51 122.74 1udw h ILE 40 Ca 0.37 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1udw h ILE 40 Cb 0.26 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1udw h ILE 40 CO -0.14 0.46 -0.07 0.58 0.00 0.00 0.00 178.15 178.98 1udw h VAL 41 N 0.72 0.97 -0.06 1.67 2.07 -0.18 -1.28 116.25 120.16 1udw h VAL 41 Ca 0.10 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1udw h VAL 41 Cb 0.76 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1udw h VAL 41 CO 0.06 0.12 -0.30 -0.61 0.02 0.00 0.00 177.57 176.86 1udw h GLN 42 N -0.42 -0.40 -0.85 1.57 4.15 -0.78 -2.54 115.11 115.84 1udw h GLN 42 Ca -0.02 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1udw h GLN 42 Cb 0.34 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1udw h GLN 42 CO 0.03 -0.27 0.47 -0.07 -1.93 0.00 0.00 178.83 177.06 1udw h LEU 43 N -0.42 1.05 -1.48 -2.39 4.07 -1.13 -2.44 115.31 112.59 1udw h LEU 43 Ca 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1udw h LEU 43 Cb 0.53 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1udw h LEU 43 CO -0.29 0.84 0.14 -0.07 -1.08 0.00 0.00 178.44 177.98 1udw h LEU 44 N 1.18 0.44 -0.88 1.67 3.38 -0.98 -2.27 115.31 117.85 1udw h LEU 44 Ca 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1udw h LEU 44 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1udw h LEU 44 CO -0.05 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1udw n GLY 45 N -1.24 0.55 2.78 0.83 0.00 -0.92 -4.90 105.19 102.29 1udw n GLY 45 Ca 0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1udw n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1udw n GLN 46 N -0.03 4.34 0.00 1.61 6.02 -0.86 -5.08 117.38 123.38 1udw n GLN 46 Ca 0.04 -4.75 0.00 0.00 -0.01 0.00 0.00 57.00 52.28 1udw n GLN 46 Cb 0.24 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.13 1udw n GLN 46 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1udw n TYR 51 N -0.05 0.00 -2.20 1.08 0.18 -1.26 -5.07 117.16 109.84 1udw n TYR 51 Ca 0.38 0.00 0.03 0.00 1.88 0.00 0.00 57.90 60.20 1udw n TYR 51 Cb 0.33 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.33 1udw n TYR 51 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1udw n ARG 52 N 0.00 0.24 -1.93 -3.48 5.12 -1.26 -5.08 116.66 110.26 1udw n ARG 52 Ca 0.00 -1.91 -0.42 0.00 -1.93 0.00 0.00 57.85 53.59 1udw n ARG 52 Cb 0.00 -0.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.89 1udw n ARG 52 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1udw s GLN 53 N -0.49 4.20 0.40 5.56 1.11 -1.26 -4.96 119.66 124.22 1udw s GLN 53 Ca 0.25 2.33 -0.24 0.00 0.01 0.00 0.00 55.36 57.72 1udw s GLN 53 Cb 0.28 -3.49 -0.09 0.00 -1.01 0.00 0.00 33.01 28.70 1udw s GLN 53 CO -0.10 -0.70 1.06 0.15 0.01 0.00 0.00 175.29 175.70 1udw s LYS 54 N 2.28 4.14 -0.17 2.91 3.01 -1.26 -5.03 119.74 125.62 1udw s LYS 54 Ca 0.73 1.52 -0.21 0.00 -1.01 0.00 0.00 55.97 57.00 1udw s LYS 54 Cb -0.41 -2.52 -0.03 0.00 -1.01 0.00 0.00 37.83 33.86 1udw s LYS 54 CO 0.32 -0.17 0.65 -0.65 0.51 0.00 0.00 175.35 176.01 1udw s GLN 55 N -2.53 4.26 0.01 1.68 -0.21 -1.26 -4.95 119.66 116.67 1udw s GLN 55 Ca 0.58 0.68 0.07 0.00 0.02 0.00 0.00 55.36 56.72 1udw s GLN 55 Cb -0.22 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.22 1udw s GLN 55 CO 0.28 -0.18 -0.22 0.08 -2.12 0.00 0.00 175.29 173.12 1udw s VAL 56 N 1.71 1.78 0.09 1.09 1.01 -1.26 0.63 120.40 125.45 1udw s VAL 56 Ca 0.31 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1udw s VAL 56 Cb -0.16 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1udw s VAL 56 CO 0.11 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.76 1udw s VAL 57 N -0.65 1.27 -0.12 2.92 1.01 -0.58 -4.99 120.40 119.26 1udw s VAL 57 Ca 0.09 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.62 1udw s VAL 57 Cb -0.09 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1udw s VAL 57 CO 0.00 -0.26 -0.17 -0.63 0.00 0.00 0.00 175.10 174.05 1udw s ILE 58 N -1.53 1.65 -0.04 2.22 1.01 -1.26 -0.64 121.20 122.61 1udw s ILE 58 Ca 0.03 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1udw s ILE 58 Cb -0.08 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1udw s ILE 58 CO 0.03 0.47 -0.19 -0.76 0.00 0.00 0.00 174.94 174.48 1udw s LEU 59 N 0.96 2.43 -0.11 2.97 1.43 0.27 -4.96 118.68 121.67 1udw s LEU 59 Ca -0.06 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1udw s LEU 59 Cb -0.15 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1udw s LEU 59 CO -0.02 0.33 0.06 -0.44 0.23 0.00 0.00 176.35 176.51 1udw s SER 60 N -0.63 5.72 0.28 2.29 0.01 -1.26 -0.79 113.70 119.31 1udw s SER 60 Ca 0.10 0.25 0.09 0.00 1.31 0.00 0.00 55.95 57.69 1udw s SER 60 Cb -0.11 -1.77 0.39 0.00 0.21 0.00 0.00 66.02 64.74 1udw s SER 60 CO 0.00 0.35 1.64 -0.61 0.41 0.00 0.00 173.24 175.04 1udw h GLN 61 N 5.36 0.10 0.00 12.44 4.15 -0.83 -2.70 115.11 133.62 1udw h GLN 61 Ca -0.50 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.86 1udw h GLN 61 Cb 1.20 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1udw h GLN 61 CO 0.58 0.62 0.00 -0.40 -1.93 0.00 0.00 178.83 177.71 1udw n ASP 62 N -3.90 0.30 0.22 -0.69 5.68 -1.26 -0.94 116.55 115.96 1udw n ASP 62 Ca -0.02 0.61 0.15 0.00 -0.50 0.00 0.00 54.79 55.04 1udw n ASP 62 Cb 0.57 -0.66 0.64 0.00 -1.14 0.00 0.00 41.12 40.53 1udw n ASP 62 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1udw h SER 63 N 0.00 0.00 -0.71 -1.12 0.02 -1.81 -3.10 113.55 106.84 1udw h SER 63 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1udw h SER 63 Cb 0.12 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.52 1udw h SER 63 CO 0.00 0.00 0.27 0.49 -1.14 0.00 0.00 176.83 176.45 1udw n PHE 64 N -2.75 2.32 -2.03 3.45 3.01 -0.11 -4.48 117.46 116.86 1udw n PHE 64 Ca 0.01 -1.28 -0.36 0.00 1.01 0.00 0.00 57.45 56.82 1udw n PHE 64 Cb 0.26 -0.68 0.03 0.00 -0.01 0.00 0.00 39.48 39.08 1udw n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1udw s TYR 65 N -3.04 2.45 0.74 1.38 2.02 -1.17 -1.65 117.35 118.08 1udw s TYR 65 Ca 0.54 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.63 1udw s TYR 65 Cb 0.44 -3.50 0.04 0.00 -0.40 0.00 0.00 41.96 38.54 1udw s TYR 65 CO 0.12 -2.17 1.08 1.03 -1.57 0.00 0.00 175.55 174.03 1udw s ARG 66 N -3.21 2.52 -0.46 -0.62 0.52 -0.83 -4.78 118.95 112.10 1udw s ARG 66 Ca 0.75 1.00 -0.24 0.00 -0.52 0.00 0.00 55.73 56.71 1udw s ARG 66 Cb -0.31 -1.94 0.03 0.00 0.52 0.00 0.00 34.95 33.25 1udw s ARG 66 CO 0.34 -1.41 0.86 0.14 0.02 0.00 0.00 175.30 175.26 1udw s VAL 67 N -3.00 4.55 1.00 3.52 -7.23 -1.26 -4.88 120.40 113.11 1udw s VAL 67 Ca 0.60 0.61 -0.11 0.00 -1.81 0.00 0.00 61.98 61.27 1udw s VAL 67 Cb -0.15 -4.38 0.19 0.00 0.56 0.00 0.00 36.38 32.59 1udw s VAL 67 CO 0.55 -0.78 1.09 -0.76 -0.31 0.00 0.00 175.10 174.89 1udw s LEU 68 N 3.55 2.01 0.55 1.32 1.43 -1.26 -5.05 118.68 121.23 1udw s LEU 68 Ca 0.34 1.83 0.05 0.00 -1.03 0.00 0.00 54.13 55.32 1udw s LEU 68 Cb -0.11 -4.05 0.06 0.00 0.03 0.00 0.00 46.19 42.12 1udw s LEU 68 CO 0.25 -3.43 0.76 0.42 0.23 0.00 0.00 176.35 174.58 1udw s THR 69 N -2.62 2.52 0.15 5.49 -4.23 -1.26 -4.85 115.64 110.84 1udw s THR 69 Ca 0.67 -0.84 -0.22 0.00 -1.18 0.00 0.00 61.69 60.11 1udw s THR 69 Cb -0.23 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 70.96 1udw s THR 69 CO 0.60 0.00 1.63 0.28 -0.54 0.00 0.00 174.62 176.60 1udw h SER 70 N 0.16 -0.73 -0.38 3.99 0.02 -1.99 0.53 113.55 115.15 1udw h SER 70 Ca -0.37 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1udw h SER 70 Cb 1.28 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 64.12 1udw h SER 70 CO 0.45 -0.26 0.08 1.05 -1.14 0.00 0.00 176.83 177.00 1udw h GLU 71 N -0.23 0.20 -0.41 3.45 -0.00 -2.00 -1.05 114.58 114.53 1udw h GLU 71 Ca 0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.48 1udw h GLU 71 Cb 0.44 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.13 1udw h GLU 71 CO -0.37 0.13 0.25 1.96 -0.00 0.00 0.00 179.01 180.98 1udw h GLN 72 N 0.20 0.56 -0.78 1.06 4.20 -1.78 -2.29 115.11 116.29 1udw h GLN 72 Ca 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1udw h GLN 72 Cb 0.21 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1udw h GLN 72 CO -0.24 0.42 0.47 0.87 -0.67 0.00 0.00 178.83 179.68 1udw h LYS 73 N 0.55 1.05 0.48 1.46 1.57 -0.52 0.13 116.57 121.29 1udw h LYS 73 Ca 0.15 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1udw h LYS 73 Cb 0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1udw h LYS 73 CO -0.03 0.74 -0.28 0.00 -0.57 0.00 0.00 179.45 179.31 1udw h ALA 74 N 1.44 -0.72 -0.03 3.86 0.00 -0.76 -1.50 119.26 121.54 1udw h ALA 74 Ca 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1udw h ALA 74 Cb -0.04 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1udw h ALA 74 CO -0.05 -0.92 -0.09 0.87 0.00 0.00 0.00 179.25 179.06 1udw h LYS 75 N -0.72 0.04 -0.49 0.00 1.57 -1.16 -2.36 116.57 113.45 1udw h LYS 75 Ca -0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1udw h LYS 75 Cb 0.59 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1udw h LYS 75 CO 0.06 0.13 0.19 0.00 -0.57 0.00 0.00 179.45 179.27 1udw h ALA 76 N 1.88 0.64 0.00 3.86 0.00 -0.41 0.39 119.26 125.61 1udw h ALA 76 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1udw h ALA 76 Cb 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1udw h ALA 76 CO 0.01 0.26 -0.02 -0.07 0.00 0.00 0.00 179.25 179.42 1udw h LEU 77 N 0.66 0.00 -0.28 0.00 3.38 -0.73 -0.17 115.31 118.16 1udw h LEU 77 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1udw h LEU 77 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1udw h LEU 77 CO -0.01 0.02 -0.26 0.29 0.09 0.00 0.00 178.44 178.57 1udw n LYS 78 N -4.50 0.55 -1.41 1.13 5.02 -0.96 -4.92 118.16 113.07 1udw n LYS 78 Ca -0.03 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1udw n LYS 78 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1udw n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1udw n GLY 79 N 1.37 0.38 1.29 0.72 0.00 -0.08 -4.88 105.19 103.98 1udw n GLY 79 Ca 0.11 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.19 1udw n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1udw n GLN 80 N -2.18 3.70 -4.38 1.61 6.02 0.13 -4.22 117.38 118.05 1udw n GLN 80 Ca 0.00 -2.95 -0.31 0.00 -0.01 0.00 0.00 57.00 53.72 1udw n GLN 80 Cb 0.20 -2.00 -0.10 0.00 1.02 0.00 0.00 30.24 29.37 1udw n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1udw s PHE 81 N -2.74 2.87 -0.56 1.08 5.36 -1.22 -4.78 117.98 117.99 1udw s PHE 81 Ca 0.47 -0.06 -0.19 0.00 -0.96 0.00 0.00 56.93 56.19 1udw s PHE 81 Cb 0.37 -1.57 0.09 0.00 -0.34 0.00 0.00 43.02 41.57 1udw s PHE 81 CO 0.12 0.39 0.65 1.21 -1.46 0.00 0.00 175.22 176.14 1udw s ASN 82 N -1.67 6.19 -0.02 6.13 3.84 -1.26 -4.87 114.94 123.28 1udw s ASN 82 Ca 0.19 -1.28 0.18 0.00 0.21 0.00 0.00 52.86 52.17 1udw s ASN 82 Cb -0.11 -2.29 0.57 0.00 -0.55 0.00 0.00 41.25 38.87 1udw s ASN 82 CO 0.10 -1.01 1.47 0.49 -2.79 0.00 0.00 177.10 175.36 1udw n PHE 83 N 6.17 0.95 -0.07 0.43 3.72 -1.26 -3.99 117.46 123.41 1udw n PHE 83 Ca -0.09 -0.44 0.04 0.00 -0.05 0.00 0.00 57.45 56.91 1udw n PHE 83 Cb 0.43 -0.06 0.09 0.00 -0.94 0.00 0.00 39.48 39.01 1udw n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1udw n ASP 84 N 1.23 2.50 -4.83 4.37 9.92 -1.26 -4.92 116.55 123.56 1udw n ASP 84 Ca 0.21 -1.92 -0.37 0.00 -0.53 0.00 0.00 54.79 52.17 1udw n ASP 84 Cb 0.59 -0.14 -0.06 0.00 -0.64 0.00 0.00 41.12 40.87 1udw n ASP 84 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1udw s HIS 85 N -0.96 3.63 0.36 1.24 2.46 -1.26 -4.84 115.29 115.93 1udw s HIS 85 Ca 0.14 0.75 0.19 0.00 0.47 0.00 0.00 55.06 56.61 1udw s HIS 85 Cb 0.08 -2.19 1.26 0.00 -0.13 0.00 0.00 32.58 31.60 1udw s HIS 85 CO 0.10 0.59 1.60 -1.35 -2.47 0.00 0.00 174.74 173.21 1udw h PRO 86 N 5.24 0.09 0.00 2.88 0.11 -1.94 0.67 132.00 139.04 1udw h PRO 86 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1udw h PRO 86 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1udw h PRO 86 CO 0.63 0.06 0.00 -0.44 -0.21 0.00 0.00 178.00 178.04 1udw h ASP 87 N 0.09 0.00 0.74 -2.05 3.32 -1.95 -2.70 116.42 113.88 1udw h ASP 87 Ca 0.81 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.86 1udw h ASP 87 Cb 2.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.61 1udw h ASP 87 CO -0.73 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.79 1udw h ALA 88 N 2.00 1.00 -2.11 3.45 0.00 0.08 -3.45 119.26 120.23 1udw h ALA 88 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1udw h ALA 88 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1udw h ALA 88 CO 0.00 0.00 -0.52 -0.06 0.00 0.00 0.00 179.25 178.67 1udw s PHE 89 N -3.54 3.01 -1.14 0.00 0.40 -1.02 -1.96 117.98 113.73 1udw s PHE 89 Ca 0.02 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.11 1udw s PHE 89 Cb 0.09 -1.47 0.26 0.00 0.51 0.00 0.00 43.02 42.42 1udw s PHE 89 CO 0.44 0.46 1.52 -3.47 0.70 0.00 0.00 175.22 174.87 1udw n ASP 90 N -1.19 5.93 0.06 1.36 -0.08 -0.66 -4.77 116.55 117.20 1udw n ASP 90 Ca -0.06 -3.27 0.18 0.00 -1.51 0.00 0.00 54.79 50.13 1udw n ASP 90 Cb 0.59 -1.35 0.70 0.00 2.34 0.00 0.00 41.12 43.39 1udw n ASP 90 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1udw h ASN 91 N 5.77 0.00 -0.25 1.67 -0.73 -1.88 0.38 115.58 120.54 1udw h ASN 91 Ca 0.25 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.39 1udw h ASN 91 Cb 0.67 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.25 1udw h ASN 91 CO 1.35 0.00 0.03 -0.33 -0.37 0.00 0.00 177.43 178.11 1udw h GLU 92 N 0.00 0.42 -0.51 6.67 4.39 -1.99 -0.26 114.58 123.29 1udw h GLU 92 Ca 0.20 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1udw h GLU 92 Cb 0.83 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1udw h GLU 92 CO -0.00 0.56 -0.03 1.25 -1.16 0.00 0.00 179.01 179.63 1udw h LEU 93 N 0.22 0.86 -0.12 1.33 5.85 -1.42 -2.41 115.31 119.62 1udw h LEU 93 Ca 0.07 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1udw h LEU 93 Cb 0.35 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1udw h LEU 93 CO 0.01 0.94 0.04 0.40 -0.34 0.00 0.00 178.44 179.49 1udw h ILE 94 N 0.81 1.17 -0.00 4.05 2.04 -0.83 -1.26 117.51 123.50 1udw h ILE 94 Ca 0.15 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1udw h ILE 94 Cb 0.53 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1udw h ILE 94 CO 0.03 0.16 -0.09 0.25 0.00 0.00 0.00 178.15 178.50 1udw h LEU 95 N 0.02 -0.26 -0.22 1.44 6.46 -0.96 0.23 115.31 122.02 1udw h LEU 95 Ca 0.04 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1udw h LEU 95 Cb 0.21 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1udw h LEU 95 CO -0.00 -0.13 0.04 0.50 -0.62 0.00 0.00 178.44 178.22 1udw h LYS 96 N -0.15 0.12 -0.25 1.25 3.64 -1.40 -0.30 116.57 119.46 1udw h LYS 96 Ca 0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1udw h LYS 96 Cb 0.20 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1udw h LYS 96 CO -0.10 0.08 0.12 1.15 -2.27 0.00 0.00 179.45 178.43 1udw h THR 97 N 0.12 1.14 -0.43 1.00 2.02 -1.00 -2.27 112.91 113.49 1udw h THR 97 Ca 0.10 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1udw h THR 97 Cb 0.10 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1udw h THR 97 CO -0.14 0.14 0.11 -0.07 0.37 0.00 0.00 175.52 175.93 1udw h LEU 98 N 0.28 0.59 -0.55 2.58 4.07 -0.75 -2.45 115.31 119.07 1udw h LEU 98 Ca 0.09 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1udw h LEU 98 Cb 0.12 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1udw h LEU 98 CO -0.01 0.59 -0.03 0.11 -1.08 0.00 0.00 178.44 178.01 1udw h LYS 99 N 0.62 1.00 -0.61 1.13 1.57 -0.83 -1.39 116.57 118.06 1udw h LYS 99 Ca 0.14 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1udw h LYS 99 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1udw h LYS 99 CO -0.00 1.01 0.04 0.93 -0.57 0.00 0.00 179.45 180.86 1udw h GLU 100 N 0.88 1.04 -0.16 3.15 5.08 -1.14 -1.81 114.58 121.62 1udw h GLU 100 Ca 0.15 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1udw h GLU 100 Cb 0.58 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1udw h GLU 100 CO 0.03 0.99 -0.39 0.82 -1.00 0.00 0.00 179.01 179.47 1udw h ILE 101 N 0.96 1.30 -0.38 3.13 2.04 -1.33 -0.90 117.51 122.33 1udw h ILE 101 Ca 0.18 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1udw h ILE 101 Cb 0.50 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1udw h ILE 101 CO 0.02 0.46 0.16 0.74 0.00 0.00 0.00 178.15 179.53 1udw h THR 102 N 0.30 1.14 -0.01 -0.27 2.02 -0.73 -1.43 112.91 113.93 1udw h THR 102 Ca 0.03 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1udw h THR 102 Cb 0.82 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1udw h THR 102 CO 0.07 0.17 -0.00 -0.62 0.37 0.00 0.00 175.52 175.50 1udw n GLU 103 N -4.39 1.32 -0.57 6.66 1.02 -0.73 -4.52 120.64 119.43 1udw n GLU 103 Ca 0.02 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 1udw n GLU 103 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1udw n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1udw n GLY 104 N 1.09 0.77 3.84 0.62 0.00 -0.54 -5.01 105.19 105.96 1udw n GLY 104 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1udw n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1udw s LYS 105 N -0.43 3.40 0.08 1.61 1.02 -0.41 -4.67 119.74 120.33 1udw s LYS 105 Ca 0.00 0.93 -0.02 0.00 0.02 0.00 0.00 55.97 56.89 1udw s LYS 105 Cb 0.00 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1udw s LYS 105 CO 0.00 -0.73 0.27 0.95 -0.92 0.00 0.00 175.35 174.92 1udw s THR 106 N -2.92 5.31 0.27 2.17 -4.23 -1.26 -4.21 115.64 110.77 1udw s THR 106 Ca 0.58 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1udw s THR 106 Cb -0.13 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.05 1udw s THR 106 CO 0.47 0.14 0.09 0.68 -0.54 0.00 0.00 174.62 175.47 1udw s VAL 107 N -1.52 0.64 -0.17 2.29 -7.23 0.32 -4.98 120.40 109.75 1udw s VAL 107 Ca 0.36 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1udw s VAL 107 Cb -0.13 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1udw s VAL 107 CO 0.25 0.00 0.07 -1.10 -0.31 0.00 0.00 175.10 174.01 1udw s GLN 108 N -4.01 3.89 -0.10 4.82 -1.52 -1.26 -0.22 119.66 121.25 1udw s GLN 108 Ca 0.38 -0.32 0.01 0.00 -1.95 0.00 0.00 55.36 53.47 1udw s GLN 108 Cb 0.08 -3.20 0.02 0.00 -0.22 0.00 0.00 33.01 29.69 1udw s GLN 108 CO 0.14 0.35 -0.11 0.42 -0.25 0.00 0.00 175.29 175.84 1udw s ILE 109 N 0.17 1.19 1.01 1.08 1.01 0.52 -4.98 121.20 121.20 1udw s ILE 109 Ca 0.05 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1udw s ILE 109 Cb -0.12 -1.14 0.20 0.00 0.01 0.00 0.00 42.46 41.41 1udw s ILE 109 CO 0.00 0.39 1.08 -2.16 0.00 0.00 0.00 174.94 174.25 1udw s PRO 110 N 1.27 0.31 -0.10 2.79 0.04 -1.26 -1.34 135.00 136.71 1udw s PRO 110 Ca -0.02 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.02 1udw s PRO 110 Cb -0.14 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1udw s PRO 110 CO -0.04 -2.93 -0.23 0.08 0.04 0.00 0.00 177.00 173.92 1udw s VAL 111 N -2.70 1.99 -0.15 -0.36 1.01 -1.24 -4.79 120.40 114.17 1udw s VAL 111 Ca 0.66 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1udw s VAL 111 Cb -0.22 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1udw s VAL 111 CO 0.60 0.54 -0.05 -0.47 0.00 0.00 0.00 175.10 175.73 1udw s TYR 112 N 0.36 3.00 -0.34 5.22 5.04 -1.26 -0.54 117.35 128.83 1udw s TYR 112 Ca -0.18 -0.30 -0.17 0.00 -2.44 0.00 0.00 57.07 53.97 1udw s TYR 112 Cb -0.18 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.19 1udw s TYR 112 CO 0.09 -0.02 0.48 0.34 -1.34 0.00 0.00 175.55 175.09 1udw s ASP 113 N 0.27 6.30 0.43 4.32 -1.08 0.40 -4.95 116.67 122.36 1udw s ASP 113 Ca -0.04 -0.01 0.24 0.00 -0.52 0.00 0.00 52.55 52.22 1udw s ASP 113 Cb -0.14 -2.25 0.41 0.00 -1.46 0.00 0.00 42.92 39.48 1udw s ASP 113 CO 0.03 -0.43 1.64 -0.26 0.52 0.00 0.00 175.17 176.67 1udw h PHE 114 N 8.41 0.00 0.03 -5.34 -1.00 -1.93 0.15 116.94 117.27 1udw h PHE 114 Ca -0.28 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.26 1udw h PHE 114 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1udw h PHE 114 CO 0.72 0.00 -1.01 0.28 -1.61 0.00 0.00 178.31 176.69 1udw h VAL 115 N 0.00 1.43 -0.34 -0.55 2.07 -1.85 -3.31 116.25 113.70 1udw h VAL 115 Ca 0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 1udw h VAL 115 Cb 0.96 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1udw h VAL 115 CO 0.00 0.77 0.00 -1.54 0.02 0.00 0.00 177.57 176.82 1udw n SER 116 N -3.68 2.89 -4.13 0.57 3.41 -1.21 -4.94 113.62 106.52 1udw n SER 116 Ca -0.07 -1.97 -0.32 0.00 -0.26 0.00 0.00 58.87 56.26 1udw n SER 116 Cb 0.88 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1udw n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1udw n HIS 117 N 0.55 -1.65 -4.20 7.33 -0.00 0.43 -4.93 115.22 112.73 1udw n HIS 117 Ca 0.12 0.76 -0.13 0.00 -0.00 0.00 0.00 57.72 58.47 1udw n HIS 117 Cb 0.42 -3.24 -0.10 0.00 -0.00 0.00 0.00 29.99 27.07 1udw n HIS 117 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1udw s SER 118 N -3.82 1.46 -0.31 0.41 0.01 -0.53 -4.63 113.70 106.29 1udw s SER 118 Ca 0.38 -0.95 -0.14 0.00 1.31 0.00 0.00 55.95 56.55 1udw s SER 118 Cb -0.21 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1udw s SER 118 CO 0.92 -0.36 0.32 -0.60 0.41 0.00 0.00 173.24 173.93 1udw s ARG 119 N -3.51 3.77 1.13 12.44 3.52 -1.26 0.15 118.95 135.19 1udw s ARG 119 Ca 0.12 -0.28 -0.13 0.00 -0.13 0.00 0.00 55.73 55.31 1udw s ARG 119 Cb 0.02 -3.73 0.26 0.00 -1.56 0.00 0.00 34.95 29.94 1udw s ARG 119 CO -0.01 -0.38 1.04 0.15 -0.81 0.00 0.00 175.30 175.29 1udw s LYS 120 N 1.96 -0.67 0.05 5.12 -0.14 0.29 -4.95 119.74 121.41 1udw s LYS 120 Ca 0.11 0.65 0.01 0.00 -1.36 0.00 0.00 55.97 55.38 1udw s LYS 120 Cb -0.16 -1.60 -0.25 0.00 -1.68 0.00 0.00 37.83 34.13 1udw s LYS 120 CO 0.11 -3.50 1.01 1.05 -0.76 0.00 0.00 175.35 173.26 1udw h GLU 121 N -2.46 0.16 -6.64 1.68 4.11 -1.98 -3.43 114.58 106.03 1udw h GLU 121 Ca -0.59 -0.27 -0.57 0.00 0.07 0.00 0.00 59.36 58.00 1udw h GLU 121 Cb 1.34 0.10 0.08 0.00 0.50 0.00 0.00 28.75 30.77 1udw h GLU 121 CO 0.52 1.03 0.66 -1.91 0.07 0.00 0.00 179.01 179.39 1udw n GLU 122 N -3.39 2.17 -3.87 1.06 2.13 -1.26 -5.00 120.64 112.48 1udw n GLU 122 Ca -0.10 0.77 -0.26 0.00 0.66 0.00 0.00 57.16 58.23 1udw n GLU 122 Cb 1.01 -2.45 -0.17 0.00 0.27 0.00 0.00 31.44 30.10 1udw n GLU 122 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1udw s THR 123 N -0.09 0.90 0.23 6.31 2.01 -1.26 -3.69 115.64 120.05 1udw s THR 123 Ca 0.67 -0.25 -0.27 0.00 0.31 0.00 0.00 61.69 62.15 1udw s THR 123 Cb -0.61 -0.97 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 1udw s THR 123 CO 0.50 0.31 0.88 -0.69 -0.69 0.00 0.00 174.62 174.93 1udw s VAL 124 N 1.76 4.21 -0.10 3.82 1.01 -0.45 -4.82 120.40 125.82 1udw s VAL 124 Ca 0.04 1.88 -0.15 0.00 0.00 0.00 0.00 61.98 63.76 1udw s VAL 124 Cb -0.13 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1udw s VAL 124 CO -0.08 0.43 0.36 -0.89 0.00 0.00 0.00 175.10 174.92 1udw s THR 125 N -1.26 5.21 -0.15 3.92 2.01 -1.26 -0.35 115.64 123.75 1udw s THR 125 Ca 0.41 0.70 0.01 0.00 0.31 0.00 0.00 61.69 63.11 1udw s THR 125 Cb -0.23 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1udw s THR 125 CO 0.28 0.45 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.81 1udw s VAL 126 N -0.06 1.69 0.20 3.82 1.01 0.69 -4.98 120.40 122.77 1udw s VAL 126 Ca 0.21 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1udw s VAL 126 Cb -0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1udw s VAL 126 CO 0.08 0.48 0.42 -0.31 0.00 0.00 0.00 175.10 175.77 1udw s TYR 127 N 1.42 3.48 0.68 5.22 1.51 -1.26 -0.52 117.35 127.87 1udw s TYR 127 Ca 0.04 0.46 -0.17 0.00 -1.01 0.00 0.00 57.07 56.40 1udw s TYR 127 Cb -0.13 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1udw s TYR 127 CO -0.11 0.35 0.85 -2.30 -1.11 0.00 0.00 175.55 173.23 1udw n PRO 128 N -0.51 0.57 -4.13 -1.71 -0.02 -1.26 -4.97 135.00 122.97 1udw n PRO 128 Ca -0.03 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 1udw n PRO 128 Cb 0.53 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 1udw n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1udw s ALA 129 N -1.74 0.77 0.27 3.55 0.00 -1.26 -5.03 121.76 118.32 1udw s ALA 129 Ca 0.72 -1.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1udw s ALA 129 Cb -0.37 1.17 0.34 0.00 0.00 0.00 0.00 23.12 24.27 1udw s ALA 129 CO 0.51 -0.61 1.91 -0.44 0.00 0.00 0.00 175.76 177.12 1udw h ASP 130 N 2.61 1.01 -4.00 0.00 3.32 -0.18 -3.36 116.42 115.82 1udw h ASP 130 Ca -0.34 -0.07 -0.38 0.00 0.02 0.00 0.00 57.03 56.27 1udw h ASP 130 Cb 1.24 -0.26 -0.29 0.00 0.22 0.00 0.00 39.33 40.24 1udw h ASP 130 CO 0.51 0.79 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.35 1udw s VAL 131 N -5.83 0.65 -0.16 -1.35 1.01 -0.90 -1.17 120.40 112.66 1udw s VAL 131 Ca -0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1udw s VAL 131 Cb 0.17 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 36.04 1udw s VAL 131 CO 0.81 0.19 -0.06 -0.69 0.00 0.00 0.00 175.10 175.35 1udw s VAL 132 N -0.18 1.12 -0.24 2.92 1.01 0.09 -1.53 120.40 123.60 1udw s VAL 132 Ca 0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1udw s VAL 132 Cb -0.03 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1udw s VAL 132 CO -0.00 0.16 0.19 -0.76 0.00 0.00 0.00 175.10 174.69 1udw s LEU 133 N 1.63 4.11 -0.17 3.92 1.43 0.19 -0.08 118.68 129.71 1udw s LEU 133 Ca 0.01 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1udw s LEU 133 Cb -0.15 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.92 1udw s LEU 133 CO -0.08 0.04 -0.17 0.12 0.23 0.00 0.00 176.35 176.49 1udw s PHE 134 N 1.13 2.79 -0.01 0.29 5.36 -0.05 0.97 117.98 128.45 1udw s PHE 134 Ca 0.09 -1.34 0.06 0.00 -0.96 0.00 0.00 56.93 54.79 1udw s PHE 134 Cb -0.14 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.61 1udw s PHE 134 CO 0.05 -0.65 -0.20 -1.83 -1.46 0.00 0.00 175.22 171.13 1udw s GLU 135 N 1.11 1.63 -0.25 10.12 4.04 0.03 0.16 118.70 135.55 1udw s GLU 135 Ca 0.00 -0.74 -0.32 0.00 0.04 0.00 0.00 54.97 53.95 1udw s GLU 135 Cb -0.14 -1.59 0.17 0.00 0.02 0.00 0.00 34.13 32.59 1udw s GLU 135 CO -0.06 0.43 1.27 0.20 -1.84 0.00 0.00 175.26 175.27 1udw s GLY 136 N -0.53 -0.08 0.62 -3.83 0.00 -0.69 -0.03 107.32 102.78 1udw s GLY 136 Ca 0.08 2.36 0.38 0.00 0.00 0.00 0.00 44.72 47.53 1udw s GLY 136 CO -0.01 0.93 2.25 0.16 0.00 0.00 0.00 173.10 176.43 1udw h ILE 137 N 2.11 0.18 0.00 0.90 3.07 -1.87 -2.56 117.51 119.35 1udw h ILE 137 Ca -0.09 -0.16 -0.02 0.00 1.55 0.00 0.00 64.86 66.14 1udw h ILE 137 Cb 1.17 1.13 -0.05 0.00 -0.27 0.00 0.00 36.82 38.80 1udw h ILE 137 CO 0.23 0.02 -0.39 0.18 -1.05 0.00 0.00 178.15 177.14 1udw n LEU 138 N -3.30 2.05 -0.09 0.16 4.32 -1.26 -4.49 117.00 114.39 1udw n LEU 138 Ca -0.02 -3.04 0.22 0.00 -0.02 0.00 0.00 56.01 53.15 1udw n LEU 138 Cb 0.13 -0.37 0.66 0.00 -1.62 0.00 0.00 43.42 42.23 1udw n LEU 138 CO 0.24 0.91 1.21 0.00 -1.22 0.00 0.00 177.39 178.53 1udw h ALA 139 N 0.52 2.53 -0.02 -1.18 0.00 -1.75 -1.04 119.26 118.32 1udw h ALA 139 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1udw h ALA 139 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1udw h ALA 139 CO 0.01 -0.73 -0.15 1.19 0.00 0.00 0.00 179.25 179.58 1udw n PHE 140 N -4.37 0.00 0.22 0.00 3.72 -1.26 -4.43 117.46 111.34 1udw n PHE 140 Ca 0.14 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.38 1udw n PHE 140 Cb 0.71 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.17 1udw n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1udw h TYR 141 N 3.77 -0.98 -3.27 1.38 3.20 -1.53 -3.42 116.97 116.13 1udw h TYR 141 Ca 0.00 0.01 -0.53 0.00 3.14 0.00 0.00 58.73 61.34 1udw h TYR 141 Cb 0.88 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1udw h TYR 141 CO 0.00 -0.51 0.52 0.45 -1.64 0.00 0.00 178.16 176.99 1udw s SER 142 N -4.58 7.14 0.17 -2.11 0.15 -1.26 -4.95 113.70 108.26 1udw s SER 142 Ca -0.17 1.98 -0.08 0.00 0.70 0.00 0.00 55.95 58.38 1udw s SER 142 Cb 0.06 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1udw s SER 142 CO 0.63 -0.41 1.55 -0.61 1.20 0.00 0.00 173.24 175.60 1udw h GLN 143 N 6.59 0.91 -0.79 5.44 -0.00 -1.97 -0.57 115.11 124.72 1udw h GLN 143 Ca -0.42 -0.41 -0.01 0.00 -0.00 0.00 0.00 58.65 57.81 1udw h GLN 143 Cb 1.21 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.64 1udw h GLN 143 CO 0.79 1.06 0.45 0.93 0.00 0.00 0.00 178.83 182.07 1udw h GLU 144 N 0.78 1.09 0.27 1.69 5.08 -1.96 -2.23 114.58 119.29 1udw h GLU 144 Ca 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1udw h GLU 144 Cb 0.83 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1udw h GLU 144 CO 0.07 0.78 -0.13 0.28 -1.00 0.00 0.00 179.01 179.01 1udw h VAL 145 N 1.10 0.64 -1.00 3.13 2.07 -1.90 -3.28 116.25 117.01 1udw h VAL 145 Ca 0.28 -0.85 0.38 0.00 0.82 0.00 0.00 66.70 67.33 1udw h VAL 145 Cb -0.01 1.01 -0.17 0.00 -1.52 0.00 0.00 31.29 30.61 1udw h VAL 145 CO -0.05 0.14 0.54 -0.09 0.02 0.00 0.00 177.57 178.14 1udw h ARG 146 N -0.89 0.13 0.00 1.57 2.43 -0.94 0.33 114.38 117.02 1udw h ARG 146 Ca -0.04 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1udw h ARG 146 Cb 0.51 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1udw h ARG 146 CO 0.06 0.09 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.99 1udw h ASP 147 N 0.14 0.00 0.81 -3.80 3.32 -1.46 -2.99 116.42 112.44 1udw h ASP 147 Ca 0.80 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.82 1udw h ASP 147 Cb 1.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.54 1udw h ASP 147 CO -0.70 0.18 -0.15 -0.07 -1.72 0.00 0.00 179.24 176.78 1udw h LEU 148 N 0.00 0.00 -9.31 1.55 4.07 -0.41 -3.44 115.31 107.78 1udw h LEU 148 Ca -0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1udw h LEU 148 Cb 0.67 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.37 1udw h LEU 148 CO 0.02 0.15 0.35 -0.36 -1.08 0.00 0.00 178.44 177.52 1udw s PHE 149 N -3.77 3.55 -1.09 1.13 0.08 -1.13 -4.75 117.98 112.00 1udw s PHE 149 Ca -0.00 1.47 0.28 0.00 0.12 0.00 0.00 56.93 58.80 1udw s PHE 149 Cb 0.11 -3.04 0.99 0.00 -0.57 0.00 0.00 43.02 40.51 1udw s PHE 149 CO 0.60 -0.09 1.75 1.04 -0.10 0.00 0.00 175.22 178.42 1udw n GLN 150 N 4.42 0.09 -3.70 0.44 6.02 0.05 -4.78 117.38 119.92 1udw n GLN 150 Ca 0.05 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1udw n GLN 150 Cb 0.50 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.17 1udw n GLN 150 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1udw s MET 151 N -2.92 0.58 -0.06 -1.09 1.75 -1.21 -5.05 119.30 111.31 1udw s MET 151 Ca 0.15 0.64 0.01 0.00 -1.25 0.00 0.00 55.69 55.24 1udw s MET 151 Cb 0.19 0.28 0.02 0.00 2.84 0.00 0.00 34.83 38.16 1udw s MET 151 CO 0.58 -0.08 -0.07 0.15 -0.65 0.00 0.00 175.02 174.96 1udw s LYS 152 N 0.16 1.12 -0.06 4.11 1.02 -1.26 -1.00 119.74 123.83 1udw s LYS 152 Ca -0.01 -0.19 0.05 0.00 0.02 0.00 0.00 55.97 55.84 1udw s LYS 152 Cb -0.03 -1.08 -0.02 0.00 -0.52 0.00 0.00 37.83 36.18 1udw s LYS 152 CO 0.01 -0.09 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.64 1udw s LEU 153 N 1.01 2.36 -0.18 3.17 1.43 0.29 -0.58 118.68 126.18 1udw s LEU 153 Ca -0.09 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1udw s LEU 153 Cb -0.14 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1udw s LEU 153 CO -0.00 0.27 -0.16 0.12 0.23 0.00 0.00 176.35 176.81 1udw s PHE 154 N -0.29 2.81 -0.30 0.29 5.36 -0.62 -0.40 117.98 124.83 1udw s PHE 154 Ca 0.01 -1.38 -0.23 0.00 -0.96 0.00 0.00 56.93 54.37 1udw s PHE 154 Cb -0.13 -1.95 -0.00 0.00 -0.34 0.00 0.00 43.02 40.60 1udw s PHE 154 CO 0.03 -0.69 0.77 0.08 -1.46 0.00 0.00 175.22 173.95 1udw s VAL 155 N 1.22 4.82 -0.62 3.12 1.01 0.14 0.33 120.40 130.41 1udw s VAL 155 Ca 0.03 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 1udw s VAL 155 Cb -0.14 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.28 1udw s VAL 155 CO -0.08 -0.21 0.45 -0.62 0.00 0.00 0.00 175.10 174.63 1udw s ASP 156 N 1.60 5.34 0.02 3.32 2.15 0.29 -4.27 116.67 125.12 1udw s ASP 156 Ca 0.31 -2.78 0.02 0.00 0.43 0.00 0.00 52.55 50.53 1udw s ASP 156 Cb -0.14 -1.88 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 1udw s ASP 156 CO 0.12 -0.40 0.02 -0.89 -0.17 0.00 0.00 175.17 173.85 1udw s THR 157 N 0.04 4.24 0.19 1.71 2.01 -1.26 -1.16 115.64 121.41 1udw s THR 157 Ca 0.16 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 1udw s THR 157 Cb -0.20 -2.93 -0.16 0.00 0.01 0.00 0.00 72.50 69.22 1udw s THR 157 CO -0.04 0.31 1.04 0.47 -0.69 0.00 0.00 174.62 175.71 1udw n ASP 158 N 1.16 0.91 -0.23 3.53 8.00 -1.26 -4.79 116.55 123.87 1udw n ASP 158 Ca -0.13 1.15 0.01 0.00 0.71 0.00 0.00 54.79 56.53 1udw n ASP 158 Cb 0.52 -1.18 0.13 0.00 -0.02 0.00 0.00 41.12 40.57 1udw n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udw h ALA 159 N 2.72 0.90 -0.19 2.24 0.00 -1.99 -1.10 119.26 121.84 1udw h ALA 159 Ca -0.41 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1udw h ALA 159 Cb 1.36 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1udw h ALA 159 CO 0.66 -0.11 -0.58 0.38 0.00 0.00 0.00 179.25 179.60 1udw h ASP 160 N 0.51 0.66 -0.61 0.00 3.04 -2.00 -2.19 116.42 115.83 1udw h ASP 160 Ca 0.33 -0.36 -0.01 0.00 -3.24 0.00 0.00 57.03 53.75 1udw h ASP 160 Cb 0.38 -0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 38.45 1udw h ASP 160 CO -0.29 1.09 0.36 0.74 -2.04 0.00 0.00 179.24 179.10 1udw h THR 161 N 0.45 1.19 -0.32 1.15 2.02 -1.80 -1.59 112.91 114.00 1udw h THR 161 Ca 0.00 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 1udw h THR 161 Cb 1.13 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1udw h THR 161 CO 0.11 0.20 0.10 0.03 0.37 0.00 0.00 175.52 176.33 1udw h ARG 162 N 0.83 0.50 -0.94 6.66 3.08 -1.10 -2.77 114.38 120.65 1udw h ARG 162 Ca 0.22 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1udw h ARG 162 Cb 0.01 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1udw h ARG 162 CO -0.04 0.54 0.56 1.25 -1.07 0.00 0.00 179.97 181.21 1udw h LEU 163 N 0.37 1.13 -0.52 3.04 6.46 -1.17 0.41 115.31 125.03 1udw h LEU 163 Ca 0.11 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1udw h LEU 163 Cb 0.24 -0.29 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 1udw h LEU 163 CO -0.00 0.87 0.22 -1.28 -0.62 0.00 0.00 178.44 177.63 1udw h SER 164 N 1.30 0.27 -0.32 1.25 0.87 -1.16 0.03 113.55 115.79 1udw h SER 164 Ca 0.34 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.86 1udw h SER 164 Cb -0.05 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1udw h SER 164 CO -0.06 0.19 -0.13 0.03 -0.53 0.00 0.00 176.83 176.33 1udw h ARG 165 N 0.43 0.66 -0.78 2.24 3.08 -1.12 -2.65 114.38 116.23 1udw h ARG 165 Ca 0.24 -0.27 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1udw h ARG 165 Cb 0.22 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 1udw h ARG 165 CO -0.21 0.86 0.43 -0.09 -1.07 0.00 0.00 179.97 179.89 1udw h ARG 166 N 0.43 0.70 -0.23 0.04 9.65 -0.39 0.21 114.38 124.79 1udw h ARG 166 Ca 0.08 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1udw h ARG 166 Cb 0.64 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1udw h ARG 166 CO 0.04 0.47 0.03 0.28 2.80 0.00 0.00 179.97 183.58 1udw h VAL 167 N 0.73 1.24 -0.22 0.20 2.07 -0.91 -0.11 116.25 119.24 1udw h VAL 167 Ca 0.38 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1udw h VAL 167 Cb 0.36 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1udw h VAL 167 CO -0.25 0.25 -0.27 -0.07 0.02 0.00 0.00 177.57 177.25 1udw h LEU 168 N 0.18 0.62 -0.05 2.57 3.38 -1.10 -2.24 115.31 118.66 1udw h LEU 168 Ca 0.07 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1udw h LEU 168 Cb 0.35 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1udw h LEU 168 CO 0.01 0.99 0.03 -0.09 0.09 0.00 0.00 178.44 179.47 1udw h ARG 169 N 0.27 0.08 -0.66 1.13 2.43 -0.62 -1.98 114.38 115.03 1udw h ARG 169 Ca 0.03 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1udw h ARG 169 Cb 0.84 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 1udw h ARG 169 CO 0.06 0.13 0.38 -0.44 -1.51 0.00 0.00 179.97 178.59 1udw h ASP 170 N 0.00 0.58 -0.44 -3.80 5.19 -1.03 0.67 116.42 117.59 1udw h ASP 170 Ca 0.02 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.39 1udw h ASP 170 Cb 0.08 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1udw h ASP 170 CO -0.00 0.38 0.04 0.40 -3.12 0.00 0.00 179.24 176.94 1udw h ILE 171 N 0.71 1.25 -0.01 0.35 2.04 -1.30 -1.87 117.51 118.69 1udw h ILE 171 Ca 0.29 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1udw h ILE 171 Cb 0.14 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1udw h ILE 171 CO -0.16 0.33 -0.45 -1.54 0.00 0.00 0.00 178.15 176.33 1udw n SER 172 N -4.44 1.34 0.00 1.72 3.41 -0.75 -4.15 113.62 110.75 1udw n SER 172 Ca -0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1udw n SER 172 Cb 0.27 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1udw n SER 172 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1udw n GLU 173 N -0.60 1.97 -0.15 4.33 1.02 0.21 -4.81 120.64 122.61 1udw n GLU 173 Ca 0.09 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 1udw n GLU 173 Cb 0.39 -0.69 0.14 0.00 -0.02 0.00 0.00 31.44 31.26 1udw n GLU 173 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1udw n ARG 174 N -0.96 2.66 -3.66 3.49 1.74 -0.86 -4.74 116.66 114.33 1udw n ARG 174 Ca 0.00 -1.94 -0.28 0.00 -0.77 0.00 0.00 57.85 54.86 1udw n ARG 174 Cb 0.15 -1.25 0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1udw n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1udw n GLY 175 N 0.47 -0.85 3.48 -0.13 0.00 -0.77 -4.17 105.19 103.23 1udw n GLY 175 Ca 0.11 0.40 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 1udw n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1udw s ARG 176 N -5.87 1.73 0.06 1.61 1.81 -0.80 -5.00 118.95 112.49 1udw s ARG 176 Ca 0.37 -1.71 0.03 0.00 -1.72 0.00 0.00 55.73 52.71 1udw s ARG 176 Cb -0.12 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 1udw s ARG 176 CO 0.85 0.34 0.01 0.16 -0.68 0.00 0.00 175.30 175.98 1udw s ASP 177 N -3.44 5.15 0.32 0.23 -4.77 -1.26 -4.04 116.67 108.86 1udw s ASP 177 Ca 0.29 -0.09 0.10 0.00 -3.30 0.00 0.00 52.55 49.55 1udw s ASP 177 Cb -0.05 -1.30 0.98 0.00 -1.09 0.00 0.00 42.92 41.46 1udw s ASP 177 CO 0.15 0.21 1.51 -0.11 0.70 0.00 0.00 175.17 177.63 1udw n LEU 178 N 0.83 0.09 -0.06 2.11 -0.00 -1.26 -1.40 117.00 117.31 1udw n LEU 178 Ca -0.12 1.61 -0.13 0.00 -0.00 0.00 0.00 56.01 57.38 1udw n LEU 178 Cb 0.52 -0.68 -0.07 0.00 -0.00 0.00 0.00 43.42 43.20 1udw n LEU 178 CO 0.38 -1.71 0.58 -0.33 -0.00 0.00 0.00 177.39 176.31 1udw h GLU 179 N 0.00 0.40 0.00 1.96 4.39 -1.99 -2.12 114.58 117.22 1udw h GLU 179 Ca 0.69 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 60.12 1udw h GLU 179 Cb 1.63 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 1udw h GLU 179 CO -0.83 0.79 -0.21 1.96 -1.16 0.00 0.00 179.01 179.56 1udw h GLN 180 N 0.04 0.00 0.24 2.33 7.50 -1.57 -1.51 115.11 122.13 1udw h GLN 180 Ca 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 1udw h GLN 180 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.26 1udw h GLN 180 CO 0.04 0.21 -0.12 0.82 -1.50 0.00 0.00 178.83 178.29 1udw h ILE 181 N 0.00 0.29 -0.08 2.54 2.04 -1.24 -2.38 117.51 118.67 1udw h ILE 181 Ca -0.00 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1udw h ILE 181 Cb 0.47 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1udw h ILE 181 CO 0.03 0.08 0.08 -0.07 0.00 0.00 0.00 178.15 178.27 1udw h LEU 182 N -1.03 0.00 0.06 1.44 3.38 -1.34 0.12 115.31 117.94 1udw h LEU 182 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 1udw h LEU 182 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 1udw h LEU 182 CO 0.06 0.00 -1.16 -1.28 0.09 0.00 0.00 178.44 176.14 1udw h SER 183 N 0.00 0.85 -0.31 -0.43 0.87 -1.32 -2.77 113.55 110.44 1udw h SER 183 Ca 0.04 -0.75 -0.14 0.00 -1.23 0.00 0.00 61.79 59.71 1udw h SER 183 Cb 0.20 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1udw h SER 183 CO -0.00 1.55 -0.32 -0.61 -0.53 0.00 0.00 176.83 176.93 1udw h GLN 184 N 0.31 0.83 0.51 2.24 4.15 -0.75 -1.80 115.11 120.60 1udw h GLN 184 Ca -0.16 -0.39 -0.02 0.00 0.77 0.00 0.00 58.65 58.84 1udw h GLN 184 Cb 1.83 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.51 1udw h GLN 184 CO 0.22 1.03 -0.24 -0.92 -1.93 0.00 0.00 178.83 176.99 1udw h TYR 185 N 0.70 -0.63 -0.73 3.99 3.20 -0.83 0.52 116.97 123.19 1udw h TYR 185 Ca 0.07 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1udw h TYR 185 Cb 0.87 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1udw h TYR 185 CO 0.05 -0.33 0.24 0.82 -1.64 0.00 0.00 178.16 177.29 1udw h ILE 186 N -0.81 1.26 -0.04 1.81 1.08 -1.55 -1.26 117.51 118.00 1udw h ILE 186 Ca -0.07 -0.89 -0.07 0.00 -0.39 0.00 0.00 64.86 63.45 1udw h ILE 186 Cb 0.58 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1udw h ILE 186 CO 0.11 0.35 -0.24 0.74 -0.69 0.00 0.00 178.15 178.43 1udw h THR 187 N 1.08 1.47 0.00 -0.27 2.02 -1.29 -3.41 112.91 112.51 1udw h THR 187 Ca 0.24 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.63 1udw h THR 187 Cb 0.29 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1udw h THR 187 CO -0.01 0.48 -0.78 0.49 0.37 0.00 0.00 175.52 176.07 1udw n PHE 188 N -4.52 0.00 0.04 3.16 3.72 0.15 -4.70 117.46 115.32 1udw n PHE 188 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 1udw n PHE 188 Cb 0.46 -0.23 -0.06 0.00 -0.94 0.00 0.00 39.48 38.72 1udw n PHE 188 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1udw h VAL 189 N -0.33 0.23 0.44 -4.37 2.07 -1.31 -0.38 116.25 112.60 1udw h VAL 189 Ca -0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1udw h VAL 189 Cb 0.66 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1udw h VAL 189 CO -0.05 0.00 -0.25 0.50 0.02 0.00 0.00 177.57 177.79 1udw h LYS 190 N -0.50 -0.62 -0.22 1.57 3.64 -1.50 0.33 116.57 119.27 1udw h LYS 190 Ca 0.07 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1udw h LYS 190 Cb 0.60 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 1udw h LYS 190 CO -0.32 -0.41 -0.14 -1.35 -2.27 0.00 0.00 179.45 174.96 1udw h PRO 191 N -0.64 -0.13 -0.70 1.90 0.11 -1.78 -1.96 132.00 128.80 1udw h PRO 191 Ca -0.05 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.14 1udw h PRO 191 Cb 0.51 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.61 1udw h PRO 191 CO 0.07 -0.09 0.46 0.00 -0.21 0.00 0.00 178.00 178.24 1udw h ALA 192 N 1.02 1.80 -0.66 -0.75 0.00 -0.91 1.00 119.26 120.76 1udw h ALA 192 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1udw h ALA 192 Cb 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1udw h ALA 192 CO -0.31 0.07 0.17 0.35 0.00 0.00 0.00 179.25 179.53 1udw h PHE 193 N 0.65 1.08 0.07 0.00 3.57 -0.18 0.62 116.94 122.75 1udw h PHE 193 Ca 0.31 -0.12 -0.24 0.00 3.53 0.00 0.00 57.97 61.45 1udw h PHE 193 Cb 0.37 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1udw h PHE 193 CO -0.00 0.88 -1.08 0.93 -2.23 0.00 0.00 178.31 176.81 1udw h GLU 194 N 0.99 0.26 0.00 1.11 5.08 -0.71 0.46 114.58 121.77 1udw h GLU 194 Ca 0.21 -0.37 -0.24 0.00 -1.00 0.00 0.00 59.36 57.97 1udw h GLU 194 Cb 0.34 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1udw h GLU 194 CO -0.00 1.12 -1.25 0.93 -1.00 0.00 0.00 179.01 178.81 1udw h GLU 195 N 0.11 0.00 0.00 2.33 5.08 -0.63 -3.41 114.58 118.06 1udw h GLU 195 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1udw h GLU 195 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1udw h GLU 195 CO 0.17 0.83 -0.88 1.19 -1.00 0.00 0.00 179.01 179.32 1udw n PHE 196 N -3.25 0.00 0.28 4.33 3.72 0.19 -4.82 117.46 117.92 1udw n PHE 196 Ca -0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.22 1udw n PHE 196 Cb 0.98 0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 39.51 1udw n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1udw h LEU 198 N -1.05 -0.00 -0.93 0.00 3.38 -0.30 -1.55 115.31 114.86 1udw h LEU 198 Ca -0.08 0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1udw h LEU 198 Cb 0.58 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1udw h LEU 198 CO 0.13 -0.18 0.58 -0.65 0.09 0.00 0.00 178.44 178.41 1udw h PRO 199 N 0.19 0.95 0.00 1.13 0.11 -1.78 -1.61 132.00 130.99 1udw h PRO 199 Ca 0.57 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1udw h PRO 199 Cb 1.18 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1udw h PRO 199 CO -0.68 0.63 0.00 0.25 -0.21 0.00 0.00 178.00 178.00 1udw n THR 200 N -4.62 1.44 -0.11 -1.15 -2.24 -0.58 -3.03 114.28 103.98 1udw n THR 200 Ca 0.16 0.36 0.08 0.00 -2.27 0.00 0.00 64.05 62.37 1udw n THR 200 Cb 0.26 -1.25 0.42 0.00 -2.10 0.00 0.00 70.33 67.66 1udw n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1udw h LYS 201 N 0.00 0.58 0.00 -0.78 3.64 -1.37 -2.12 116.57 116.52 1udw h LYS 201 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1udw h LYS 201 Cb 0.10 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1udw h LYS 201 CO 0.00 0.38 0.00 1.57 -2.27 0.00 0.00 179.45 179.13 1udw h LYS 202 N 0.60 0.00 -0.00 1.90 2.10 -1.76 -2.48 116.57 116.93 1udw h LYS 202 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1udw h LYS 202 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1udw h LYS 202 CO -0.08 0.00 -0.12 0.66 -2.00 0.00 0.00 179.45 177.91 1udw n TYR 203 N -3.00 0.00 -1.62 0.07 4.01 -0.80 -4.91 117.16 110.91 1udw n TYR 203 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 1udw n TYR 203 Cb 0.14 -0.34 0.05 0.00 -0.31 0.00 0.00 39.34 38.88 1udw n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1udw s ALA 204 N -2.80 2.56 -0.02 -0.72 0.00 -0.94 -4.88 121.76 114.97 1udw s ALA 204 Ca 0.20 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1udw s ALA 204 Cb 0.19 -3.23 -0.28 0.00 0.00 0.00 0.00 23.12 19.80 1udw s ALA 204 CO 0.54 -1.28 0.78 -0.44 0.00 0.00 0.00 175.76 175.36 1udw h ASP 205 N -0.47 0.42 -3.73 0.00 3.32 -1.19 -3.47 116.42 111.30 1udw h ASP 205 Ca -0.45 -0.62 -0.18 0.00 0.02 0.00 0.00 57.03 55.80 1udw h ASP 205 Cb 1.22 -0.14 -0.27 0.00 0.22 0.00 0.00 39.33 40.37 1udw h ASP 205 CO 0.55 1.52 -0.50 -0.69 -1.72 0.00 0.00 179.24 178.40 1udw s VAL 206 N -2.60 -0.01 -0.21 -1.35 1.01 -1.14 -5.06 120.40 111.05 1udw s VAL 206 Ca -0.11 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1udw s VAL 206 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1udw s VAL 206 CO 0.85 0.01 -0.05 -0.63 0.00 0.00 0.00 175.10 175.28 1udw s ILE 207 N 0.29 3.44 -0.55 2.22 1.01 -1.26 -1.59 121.20 124.76 1udw s ILE 207 Ca -0.02 -0.48 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1udw s ILE 207 Cb -0.03 -2.55 0.09 0.00 0.01 0.00 0.00 42.46 39.98 1udw s ILE 207 CO -0.01 0.44 0.64 -0.63 0.00 0.00 0.00 174.94 175.37 1udw s ILE 208 N 1.27 4.90 0.28 2.92 1.01 0.15 -4.94 121.20 126.80 1udw s ILE 208 Ca 0.03 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 1udw s ILE 208 Cb -0.14 -4.38 -0.10 0.00 0.01 0.00 0.00 42.46 37.85 1udw s ILE 208 CO -0.02 -0.95 1.16 -2.16 0.00 0.00 0.00 174.94 172.98 1udw s PRO 209 N 2.50 4.56 -0.84 2.79 0.04 -1.26 -0.55 135.00 142.24 1udw s PRO 209 Ca 0.11 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1udw s PRO 209 Cb -0.23 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1udw s PRO 209 CO 0.08 0.08 0.00 0.54 0.04 0.00 0.00 177.00 177.74 1udw n ARG 210 N 1.20 -0.69 0.00 4.56 1.74 -0.31 -4.54 116.66 118.62 1udw n ARG 210 Ca -0.00 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1udw n ARG 210 Cb 0.44 -4.60 0.00 0.00 -1.02 0.00 0.00 32.46 27.28 1udw n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1udw n GLY 211 N -1.73 1.50 0.44 -0.13 0.00 -1.17 -2.72 105.19 101.37 1udw n GLY 211 Ca -0.08 -0.35 0.28 0.00 0.00 0.00 0.00 46.02 45.87 1udw n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udw h ALA 212 N -0.22 2.47 -0.03 4.61 0.00 -1.84 0.25 119.26 124.50 1udw h ALA 212 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1udw h ALA 212 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1udw h ALA 212 CO 0.00 -0.93 0.02 -0.44 0.00 0.00 0.00 179.25 177.90 1udw h ASP 213 N 0.26 0.00 -0.74 0.00 3.32 -1.88 -3.36 116.42 114.02 1udw h ASP 213 Ca 0.66 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 57.28 1udw h ASP 213 Cb 1.90 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.39 1udw h ASP 213 CO -0.30 0.00 1.24 0.21 -1.72 0.00 0.00 179.24 178.66 1udw s ASN 214 N -6.79 5.66 0.37 6.45 3.84 0.08 -4.77 114.94 119.78 1udw s ASN 214 Ca -0.05 -1.43 0.19 0.00 0.21 0.00 0.00 52.86 51.77 1udw s ASN 214 Cb 0.17 -2.57 0.67 0.00 -0.55 0.00 0.00 41.25 38.96 1udw s ASN 214 CO 0.64 -2.34 1.73 -0.07 -2.79 0.00 0.00 177.10 174.27 1udw h LEU 215 N 15.95 0.00 -0.16 3.21 3.38 -1.85 -2.73 115.31 133.11 1udw h LEU 215 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1udw h LEU 215 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1udw h LEU 215 CO 1.30 0.37 0.02 0.58 0.09 0.00 0.00 178.44 180.80 1udw h VAL 216 N 0.00 1.23 -0.34 1.22 2.07 -1.95 -0.50 116.25 117.98 1udw h VAL 216 Ca -0.00 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1udw h VAL 216 Cb 0.91 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1udw h VAL 216 CO 0.05 0.22 -0.05 0.00 0.02 0.00 0.00 177.57 177.81 1udw h ALA 217 N 0.80 0.46 -0.33 1.67 0.00 -1.97 -2.46 119.26 117.44 1udw h ALA 217 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1udw h ALA 217 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1udw h ALA 217 CO 0.00 0.28 0.09 0.82 0.00 0.00 0.00 179.25 180.44 1udw h ILE 218 N 0.43 1.15 -0.12 0.00 2.04 -1.43 -1.70 117.51 117.87 1udw h ILE 218 Ca 0.09 -0.52 -0.14 0.00 1.00 0.00 0.00 64.86 65.30 1udw h ILE 218 Cb 0.54 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1udw h ILE 218 CO 0.03 0.19 -0.52 0.78 0.00 0.00 0.00 178.15 178.63 1udw h ASN 219 N 0.47 0.37 -0.28 1.72 2.35 -0.90 -2.02 115.58 117.29 1udw h ASN 219 Ca 0.11 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1udw h ASN 219 Cb 0.17 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1udw h ASN 219 CO -0.01 0.82 -0.30 -0.07 -1.65 0.00 0.00 177.43 176.23 1udw h LEU 220 N 0.26 0.82 -0.28 1.61 4.07 -0.93 -1.97 115.31 118.89 1udw h LEU 220 Ca 0.01 -0.33 -0.05 0.00 0.08 0.00 0.00 57.88 57.59 1udw h LEU 220 Cb 1.01 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1udw h LEU 220 CO 0.09 1.06 -0.01 0.40 -1.08 0.00 0.00 178.44 178.90 1udw h ILE 221 N 0.67 1.26 -0.48 1.22 2.04 -1.17 -1.16 117.51 119.89 1udw h ILE 221 Ca 0.08 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1udw h ILE 221 Cb 0.84 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1udw h ILE 221 CO 0.07 0.31 0.19 0.58 0.00 0.00 0.00 178.15 179.30 1udw h VAL 222 N 0.29 1.21 -0.08 1.67 2.07 -1.34 -0.32 116.25 119.75 1udw h VAL 222 Ca 0.08 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1udw h VAL 222 Cb 0.45 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1udw h VAL 222 CO 0.02 0.24 -0.23 -0.61 0.02 0.00 0.00 177.57 177.01 1udw h GLN 223 N 0.63 -0.30 -0.95 1.57 5.75 -1.25 0.41 115.11 120.96 1udw h GLN 223 Ca 0.16 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1udw h GLN 223 Cb 0.19 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 1udw h GLN 223 CO -0.01 -0.20 0.62 1.25 -2.65 0.00 0.00 178.83 177.84 1udw h HIS 224 N -0.32 1.14 -0.48 3.99 2.76 -0.85 0.92 115.15 122.31 1udw h HIS 224 Ca 0.09 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.20 1udw h HIS 224 Cb 0.44 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1udw h HIS 224 CO -0.31 0.63 -0.01 0.82 -1.30 0.00 0.00 177.93 177.76 1udw h ILE 225 N 1.15 1.26 -0.66 6.26 2.04 -0.26 -2.13 117.51 125.17 1udw h ILE 225 Ca 0.39 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1udw h ILE 225 Cb 0.09 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1udw h ILE 225 CO -0.14 0.38 0.09 1.56 0.00 0.00 0.00 178.15 180.04 1udw h GLN 226 N 0.72 1.11 -0.58 2.37 4.20 -0.24 -0.70 115.11 122.00 1udw h GLN 226 Ca 0.14 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1udw h GLN 226 Cb 0.53 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1udw h GLN 226 CO 0.03 1.03 0.36 -0.44 -0.67 0.00 0.00 178.83 179.14 1udw h ASP 227 N 1.04 0.69 -0.21 1.46 5.19 -0.65 -1.28 116.42 122.66 1udw h ASP 227 Ca 0.20 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 1udw h ASP 227 Cb 0.47 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.80 1udw h ASP 227 CO 0.02 0.54 -0.13 0.40 -3.12 0.00 0.00 179.24 176.95 1udw h ILE 228 N 0.78 1.31 -0.67 0.35 2.04 -1.23 -3.21 117.51 116.88 1udw h ILE 228 Ca 0.21 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1udw h ILE 228 Cb -0.03 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1udw h ILE 228 CO -0.04 0.37 0.45 0.25 0.00 0.00 0.00 178.15 179.18 1udw h LEU 229 N 0.14 0.76 -6.61 1.44 5.85 -0.96 -3.20 115.31 112.72 1udw h LEU 229 Ca 0.04 -0.02 -0.76 0.00 0.84 0.00 0.00 57.88 57.98 1udw h LEU 229 Cb 0.63 -0.19 -0.31 0.00 0.37 0.00 0.00 40.66 41.17 1udw h LEU 229 CO 0.04 0.54 0.51 0.59 -0.34 0.00 0.00 178.44 179.78 1udw n ASN 230 N -4.44 6.01 0.00 1.25 3.02 -0.50 -5.09 115.26 115.51 1udw n ASN 230 Ca 0.07 -3.48 0.00 0.00 -0.03 0.00 0.00 54.58 51.14 1udw n ASN 230 Cb 0.06 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 1udw n ASN 230 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25