#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwu h LYS 6 N 0.00 0.00 -0.18 -0.41 2.10 -1.96 -1.89 116.57 114.24 2dwu h LYS 6 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dwu h LYS 6 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2dwu h LYS 6 CO 0.00 0.01 0.00 0.72 -2.00 0.00 0.00 179.45 178.18 2dwu n HIS 7 N -3.37 0.23 -2.47 0.07 8.25 -1.26 -4.89 115.22 111.77 2dwu n HIS 7 Ca -0.03 -0.23 -0.36 0.00 -0.26 0.00 0.00 57.72 56.84 2dwu n HIS 7 Cb 0.11 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2dwu n HIS 7 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dwu s SER 8 N -0.99 6.52 0.36 0.41 0.01 -0.71 -4.88 113.70 114.41 2dwu s SER 8 Ca 0.19 2.09 0.08 0.00 1.31 0.00 0.00 55.95 59.62 2dwu s SER 8 Cb 0.11 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 2dwu s SER 8 CO 0.16 -0.66 0.12 0.68 0.41 0.00 0.00 173.24 173.95 2dwu s VAL 9 N -1.69 2.77 -0.30 3.43 -7.23 0.21 -4.66 120.40 112.93 2dwu s VAL 9 Ca 0.61 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.86 2dwu s VAL 9 Cb -0.23 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 2dwu s VAL 9 CO 0.28 -0.15 0.39 -0.63 -0.31 0.00 0.00 175.10 174.68 2dwu s ILE 10 N -2.48 5.15 0.14 -0.62 -1.09 0.10 -0.88 121.20 121.52 2dwu s ILE 10 Ca 0.38 0.39 -0.27 0.00 -2.23 0.00 0.00 60.65 58.92 2dwu s ILE 10 Cb -0.01 -3.77 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 2dwu s ILE 10 CO 0.22 0.03 0.85 -0.83 -1.23 0.00 0.00 174.94 173.98 2dwu s GLY 11 N 1.68 2.95 -0.07 6.18 0.00 -0.29 -1.19 107.32 116.58 2dwu s GLY 11 Ca 0.15 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.32 2dwu s GLY 11 CO 0.11 1.11 -0.09 0.14 0.00 0.00 0.00 173.10 174.37 2dwu s VAL 12 N -0.66 0.94 0.10 1.40 1.01 -0.18 -0.31 120.40 122.70 2dwu s VAL 12 Ca 0.40 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.15 2dwu s VAL 12 Cb -0.23 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2dwu s VAL 12 CO 0.27 0.33 -0.23 -1.48 0.00 0.00 0.00 175.10 173.99 2dwu s LEU 13 N 1.08 2.28 0.22 3.92 0.05 -0.48 -0.82 118.68 124.93 2dwu s LEU 13 Ca -0.07 -0.68 -0.17 0.00 0.05 0.00 0.00 54.13 53.26 2dwu s LEU 13 Cb -0.14 -1.02 0.02 0.00 -2.05 0.00 0.00 46.19 42.99 2dwu s LEU 13 CO -0.01 0.12 0.54 -0.62 -0.55 0.00 0.00 176.35 175.83 2dwu s ASP 14 N -1.81 -0.21 0.26 1.48 2.15 -0.64 -1.09 116.67 116.81 2dwu s ASP 14 Ca 0.09 -0.61 0.25 0.00 0.43 0.00 0.00 52.55 52.71 2dwu s ASP 14 Cb -0.10 0.60 0.91 0.00 -0.30 0.00 0.00 42.92 44.03 2dwu s ASP 14 CO 0.04 -1.11 1.75 0.77 -0.17 0.00 0.00 175.17 176.45 2dwu h SER 15 N 2.19 0.00 0.00 -0.34 4.64 -1.90 -1.88 113.55 116.27 2dwu h SER 15 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2dwu h SER 15 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2dwu h SER 15 CO 0.35 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 2dwu n GLY 16 N 0.57 0.48 0.04 -0.77 0.00 -1.26 -2.45 105.19 101.80 2dwu n GLY 16 Ca 0.04 0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.63 2dwu n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dwu n VAL 17 N 0.00 0.20 -0.29 1.61 3.14 -1.26 -4.36 118.33 117.36 2dwu n VAL 17 Ca 0.00 -0.40 0.06 0.00 -2.96 0.00 0.00 64.34 61.03 2dwu n VAL 17 Cb 0.00 0.05 0.20 0.00 -1.06 0.00 0.00 33.84 33.03 2dwu n VAL 17 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2dwu h GLY 18 N 4.23 1.33 1.48 7.55 0.00 -1.95 -1.48 103.07 114.23 2dwu h GLY 18 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2dwu h GLY 18 CO 0.00 0.02 0.14 0.61 0.00 0.00 0.00 176.54 177.31 2dwu n GLY 19 N -1.32 -0.44 0.29 4.60 0.00 -1.26 -1.39 105.19 105.66 2dwu n GLY 19 Ca 0.16 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.38 2dwu n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dwu h LEU 20 N 0.00 0.00 -0.74 0.99 3.38 -1.57 -0.69 115.31 116.68 2dwu h LEU 20 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2dwu h LEU 20 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2dwu h LEU 20 CO 0.00 0.05 0.02 0.71 0.09 0.00 0.00 178.44 179.32 2dwu h THR 21 N 0.00 1.26 -0.14 0.22 1.35 -1.46 -0.19 112.91 113.95 2dwu h THR 21 Ca -0.00 -1.08 -0.09 0.00 -0.55 0.00 0.00 66.41 64.69 2dwu h THR 21 Cb 0.26 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2dwu h THR 21 CO 0.01 0.39 -0.27 0.58 -0.25 0.00 0.00 175.52 175.98 2dwu h VAL 22 N 0.91 1.37 -0.78 6.82 2.07 -1.48 -2.81 116.25 122.34 2dwu h VAL 22 Ca 0.17 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.20 2dwu h VAL 22 Cb 0.50 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2dwu h VAL 22 CO 0.02 0.45 0.49 0.00 0.02 0.00 0.00 177.57 178.55 2dwu h ALA 23 N 0.55 1.04 -0.98 1.67 0.00 -1.06 -1.53 119.26 118.95 2dwu h ALA 23 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2dwu h ALA 23 Cb 0.86 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2dwu h ALA 23 CO 0.06 0.26 0.64 1.03 0.00 0.00 0.00 179.25 181.25 2dwu h SER 24 N 0.93 1.14 0.20 0.00 0.87 -1.00 -0.39 113.55 115.29 2dwu h SER 24 Ca 0.32 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 2dwu h SER 24 Cb 0.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2dwu h SER 24 CO -0.13 0.83 -0.62 -0.33 -0.53 0.00 0.00 176.83 176.04 2dwu h GLU 25 N 1.34 0.41 -0.42 2.24 4.39 -1.14 -1.59 114.58 119.81 2dwu h GLU 25 Ca 0.36 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2dwu h GLU 25 Cb -0.14 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2dwu h GLU 25 CO -0.08 0.91 -0.00 0.82 -1.16 0.00 0.00 179.01 179.50 2dwu h ILE 26 N 0.30 1.26 -0.81 3.13 2.04 -0.82 -0.47 117.51 122.14 2dwu h ILE 26 Ca -0.01 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2dwu h ILE 26 Cb 1.16 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 2dwu h ILE 26 CO 0.11 0.35 0.48 0.40 0.00 0.00 0.00 178.15 179.49 2dwu h ILE 27 N 0.57 1.23 -0.04 -0.67 2.04 -0.97 0.11 117.51 119.78 2dwu h ILE 27 Ca 0.12 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 2dwu h ILE 27 Cb 0.48 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2dwu h ILE 27 CO 0.02 0.24 -0.18 -0.09 0.00 0.00 0.00 178.15 178.14 2dwu h ARG 28 N 1.12 0.19 0.00 2.37 2.43 -1.08 -3.15 114.38 116.26 2dwu h ARG 28 Ca 0.29 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2dwu h ARG 28 Cb -0.04 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2dwu h ARG 28 CO -0.05 0.81 -0.63 1.96 -1.51 0.00 0.00 179.97 180.55 2dwu h GLN 29 N -0.39 0.00 -2.10 0.20 4.20 -1.03 -3.37 115.11 112.62 2dwu h GLN 29 Ca -0.01 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.15 2dwu h GLN 29 Cb 0.84 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.22 2dwu h GLN 29 CO 0.04 0.00 -0.93 1.28 -0.67 0.00 0.00 178.83 178.54 2dwu n LEU 30 N -2.52 2.01 0.00 1.46 4.77 0.37 -4.96 117.00 118.13 2dwu n LEU 30 Ca 0.02 -5.15 0.02 0.00 -0.03 0.00 0.00 56.01 50.87 2dwu n LEU 30 Cb 0.50 0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.83 2dwu n LEU 30 CO 0.37 2.20 0.54 -0.81 -1.33 0.00 0.00 177.39 178.36 2dwu n PRO 31 N 0.60 0.02 0.00 3.23 -0.04 -1.19 -1.84 135.00 135.78 2dwu n PRO 31 Ca 0.26 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 2dwu n PRO 31 Cb 0.52 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 2dwu n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dwu n LYS 32 N -1.44 0.82 -2.93 0.54 5.02 -1.26 -4.59 118.16 114.32 2dwu n LYS 32 Ca 0.01 -0.64 -0.31 0.00 -2.02 0.00 0.00 58.31 55.35 2dwu n LYS 32 Cb 0.04 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2dwu n LYS 32 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dwu s GLU 33 N -2.62 3.83 -0.13 1.97 0.41 -0.77 -3.91 118.70 117.49 2dwu s GLU 33 Ca 0.17 0.51 -0.02 0.00 -0.41 0.00 0.00 54.97 55.23 2dwu s GLU 33 Cb 0.18 -2.40 -0.02 0.00 -1.78 0.00 0.00 34.13 30.10 2dwu s GLU 33 CO 0.63 0.02 -0.07 -1.12 -0.49 0.00 0.00 175.26 174.23 2dwu s SER 34 N -2.93 4.55 0.01 -0.19 0.01 -1.26 -4.82 113.70 109.08 2dwu s SER 34 Ca 0.52 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.63 2dwu s SER 34 Cb -0.10 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 2dwu s SER 34 CO 0.28 0.22 0.06 -0.63 0.41 0.00 0.00 173.24 173.57 2dwu s ILE 35 N 0.05 4.53 -0.27 1.44 -1.09 -1.26 0.01 121.20 124.62 2dwu s ILE 35 Ca -0.02 -0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 57.87 2dwu s ILE 35 Cb -0.14 -3.08 0.08 0.00 -1.58 0.00 0.00 42.46 37.74 2dwu s ILE 35 CO 0.03 0.31 0.04 0.00 -1.23 0.00 0.00 174.94 174.09 2dwu s TYR 37 N 1.50 3.30 -0.05 0.00 5.04 0.07 -1.01 117.35 126.20 2dwu s TYR 37 Ca 0.04 0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 2dwu s TYR 37 Cb -0.18 -1.86 0.02 0.00 0.35 0.00 0.00 41.96 40.29 2dwu s TYR 37 CO -0.14 0.52 -0.07 -1.50 -1.34 0.00 0.00 175.55 173.02 2dwu s ILE 38 N -0.81 0.71 -0.13 3.14 2.07 0.00 -0.13 121.20 126.05 2dwu s ILE 38 Ca 0.13 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 2dwu s ILE 38 Cb -0.12 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.77 2dwu s ILE 38 CO 0.03 0.26 -0.20 -0.83 -1.91 0.00 0.00 174.94 172.29 2dwu s GLY 39 N 0.84 1.40 -0.98 1.50 0.00 -0.06 -1.62 107.32 108.41 2dwu s GLY 39 Ca -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 2dwu s GLY 39 CO 0.01 -0.12 2.62 1.34 0.00 0.00 0.00 173.10 176.95 2dwu n ASP 40 N 3.84 7.42 -0.14 1.64 2.03 -0.70 -2.02 116.55 128.62 2dwu n ASP 40 Ca -0.19 -3.09 0.19 0.00 0.52 0.00 0.00 54.79 52.21 2dwu n ASP 40 Cb 0.52 -1.33 0.58 0.00 -0.72 0.00 0.00 41.12 40.17 2dwu n ASP 40 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2dwu h ASN 41 N 4.00 0.24 0.04 1.67 4.21 -1.79 -0.24 115.58 123.71 2dwu h ASN 41 Ca 0.58 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 58.11 2dwu h ASN 41 Cb 0.50 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2dwu h ASN 41 CO 1.23 0.12 -0.01 -0.08 -1.29 0.00 0.00 177.43 177.39 2dwu h GLU 42 N 0.25 0.00 -0.13 0.81 4.81 -1.85 -2.71 114.58 115.77 2dwu h GLU 42 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2dwu h GLU 42 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2dwu h GLU 42 CO -0.09 0.01 0.00 0.54 -0.73 0.00 0.00 179.01 178.75 2dwu n ARG 43 N -3.86 2.66 -2.64 1.92 1.74 -0.13 -5.00 116.66 111.35 2dwu n ARG 43 Ca -0.03 -2.00 -0.39 0.00 -0.77 0.00 0.00 57.85 54.66 2dwu n ARG 43 Cb 0.10 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 2dwu n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dwu s PRO 45 N -1.57 3.95 0.16 0.00 0.04 -1.26 -5.02 135.00 131.30 2dwu s PRO 45 Ca 0.46 0.64 0.21 0.00 0.04 0.00 0.00 61.00 62.35 2dwu s PRO 45 Cb -0.26 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 2dwu s PRO 45 CO 0.33 0.09 0.96 0.66 0.04 0.00 0.00 177.00 179.07 2dwu n TYR 46 N -0.65 0.92 -0.26 0.56 4.02 -1.26 -4.52 117.16 115.97 2dwu n TYR 46 Ca 0.03 0.28 0.06 0.00 -0.01 0.00 0.00 57.90 58.27 2dwu n TYR 46 Cb 0.53 -0.97 0.18 0.00 -0.02 0.00 0.00 39.34 39.06 2dwu n TYR 46 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2dwu h GLY 47 N 3.93 0.95 -0.31 2.72 0.00 -1.96 -1.11 103.07 107.29 2dwu h GLY 47 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2dwu h GLY 47 CO 0.01 -0.28 -0.15 -1.55 0.00 0.00 0.00 176.54 174.57 2dwu n PRO 48 N -5.29 1.32 -1.67 4.80 -0.04 -1.26 -1.78 135.00 131.07 2dwu n PRO 48 Ca 0.15 -0.83 -0.32 0.00 -0.04 0.00 0.00 63.50 62.46 2dwu n PRO 48 Cb 0.50 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 2dwu n PRO 48 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dwu s ARG 49 N -2.26 2.92 0.68 0.54 0.52 -0.42 -4.99 118.95 115.95 2dwu s ARG 49 Ca 0.30 1.10 -0.15 0.00 -0.52 0.00 0.00 55.73 56.46 2dwu s ARG 49 Cb 0.20 -1.98 0.01 0.00 0.52 0.00 0.00 34.95 33.70 2dwu s ARG 49 CO 0.43 -1.12 1.13 -1.54 0.02 0.00 0.00 175.30 174.23 2dwu s SER 50 N -3.33 4.83 0.18 0.23 1.04 -1.26 -4.86 113.70 110.53 2dwu s SER 50 Ca 0.61 2.09 -0.13 0.00 0.48 0.00 0.00 55.95 59.01 2dwu s SER 50 Cb -0.16 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.49 2dwu s SER 50 CO 0.49 -1.82 1.82 0.58 0.98 0.00 0.00 173.24 175.28 2dwu h VAL 51 N -0.09 1.18 -0.70 5.02 2.07 -1.96 -1.57 116.25 120.20 2dwu h VAL 51 Ca -0.47 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 66.68 2dwu h VAL 51 Cb 1.26 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2dwu h VAL 51 CO 0.53 0.19 0.43 -0.33 0.02 0.00 0.00 177.57 178.41 2dwu h GLU 52 N 0.81 0.83 -0.15 1.57 3.07 -1.95 -0.40 114.58 118.36 2dwu h GLU 52 Ca 0.22 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 2dwu h GLU 52 Cb -0.01 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 2dwu h GLU 52 CO -0.04 0.55 0.02 1.49 -1.40 0.00 0.00 179.01 179.63 2dwu h GLU 53 N 0.85 0.25 -0.62 2.33 4.81 -1.87 -2.13 114.58 118.20 2dwu h GLU 53 Ca 0.28 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2dwu h GLU 53 Cb 0.02 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2dwu h GLU 53 CO -0.11 0.44 0.38 0.28 -0.73 0.00 0.00 179.01 179.27 2dwu h VAL 54 N 0.03 1.07 -0.91 0.32 2.07 -0.98 -1.27 116.25 116.59 2dwu h VAL 54 Ca 0.05 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2dwu h VAL 54 Cb 0.31 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2dwu h VAL 54 CO 0.00 0.14 0.59 1.56 0.02 0.00 0.00 177.57 179.89 2dwu h GLN 55 N 0.75 1.13 -0.39 1.57 4.20 -0.95 -0.60 115.11 120.82 2dwu h GLN 55 Ca 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2dwu h GLN 55 Cb 0.03 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 2dwu h GLN 55 CO -0.11 0.75 0.21 1.03 -0.67 0.00 0.00 178.83 180.05 2dwu h SER 56 N 1.17 0.49 -0.61 1.46 0.87 -0.68 -1.38 113.55 114.87 2dwu h SER 56 Ca 0.36 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 2dwu h SER 56 Cb -0.03 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2dwu h SER 56 CO -0.11 0.44 0.09 -0.26 -0.53 0.00 0.00 176.83 176.46 2dwu h PHE 57 N 0.50 1.10 -0.49 2.24 0.04 -0.76 -2.26 116.94 117.31 2dwu h PHE 57 Ca 0.14 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 2dwu h PHE 57 Cb 0.06 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 2dwu h PHE 57 CO -0.02 0.93 0.01 0.28 -0.60 0.00 0.00 178.31 178.91 2dwu h VAL 58 N 0.97 1.26 0.00 -0.55 2.07 -0.91 -2.01 116.25 117.08 2dwu h VAL 58 Ca 0.19 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 2dwu h VAL 58 Cb 0.43 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2dwu h VAL 58 CO 0.01 0.37 -0.24 -0.26 0.02 0.00 0.00 177.57 177.47 2dwu h PHE 59 N 0.71 0.00 -0.47 1.57 -1.00 -1.06 -0.21 116.94 116.48 2dwu h PHE 59 Ca 0.14 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.80 2dwu h PHE 59 Cb 0.49 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 2dwu h PHE 59 CO 0.04 0.24 -0.18 0.93 -1.61 0.00 0.00 178.31 177.73 2dwu h GLU 60 N 0.00 0.91 -0.24 1.51 5.08 -1.07 -1.81 114.58 118.96 2dwu h GLU 60 Ca -0.00 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 57.87 2dwu h GLU 60 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2dwu h GLU 60 CO 0.03 1.01 -0.36 0.52 -1.00 0.00 0.00 179.01 179.21 2dwu h MET 61 N 0.80 0.54 -0.59 2.33 2.86 -0.57 -2.63 114.93 117.67 2dwu h MET 61 Ca 0.11 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 2dwu h MET 61 Cb 0.72 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 2dwu h MET 61 CO 0.06 0.82 0.11 0.28 1.06 0.00 0.00 176.91 179.24 2dwu h VAL 62 N 0.45 1.24 -0.64 -2.22 2.07 -0.85 -0.99 116.25 115.31 2dwu h VAL 62 Ca 0.05 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2dwu h VAL 62 Cb 0.84 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2dwu h VAL 62 CO 0.07 0.34 0.31 -0.33 0.02 0.00 0.00 177.57 177.98 2dwu h GLU 63 N 0.89 0.91 -0.16 1.57 4.39 -1.08 -0.37 114.58 120.72 2dwu h GLU 63 Ca 0.19 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2dwu h GLU 63 Cb 0.36 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2dwu h GLU 63 CO 0.00 0.71 -0.00 0.35 -1.16 0.00 0.00 179.01 178.91 2dwu h PHE 64 N 0.91 0.31 0.00 4.33 3.57 -1.05 -3.10 116.94 121.91 2dwu h PHE 64 Ca 0.22 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2dwu h PHE 64 Cb 0.09 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 2dwu h PHE 64 CO 0.01 0.50 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.37 2dwu h LEU 65 N 0.03 0.00 -0.14 0.59 3.38 -0.64 -2.57 115.31 115.96 2dwu h LEU 65 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2dwu h LEU 65 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2dwu h LEU 65 CO 0.01 0.15 0.00 0.29 0.09 0.00 0.00 178.44 178.98 2dwu n LYS 66 N -3.72 0.03 0.08 1.13 5.02 -0.20 -1.19 118.16 119.31 2dwu n LYS 66 Ca -0.02 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 2dwu n LYS 66 Cb 0.27 -1.56 0.46 0.00 -0.02 0.00 0.00 35.03 34.17 2dwu n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dwu n GLN 67 N -1.61 0.16 -4.13 1.97 6.02 -0.97 -4.77 117.38 114.05 2dwu n GLN 67 Ca 0.02 0.25 -0.23 0.00 -0.01 0.00 0.00 57.00 57.03 2dwu n GLN 67 Cb 0.12 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 2dwu n GLN 67 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2dwu s PHE 68 N -3.14 3.07 -1.02 1.08 0.40 -0.33 -5.04 117.98 112.99 2dwu s PHE 68 Ca 0.09 -0.10 -0.23 0.00 -0.60 0.00 0.00 56.93 56.08 2dwu s PHE 68 Cb 0.12 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.28 2dwu s PHE 68 CO 0.47 0.53 1.59 -1.25 0.70 0.00 0.00 175.22 177.27 2dwu s PRO 69 N -3.64 3.37 0.07 0.24 0.04 -1.26 -4.97 135.00 128.85 2dwu s PRO 69 Ca 0.32 -1.01 -0.29 0.00 0.04 0.00 0.00 61.00 60.06 2dwu s PRO 69 Cb -0.08 -5.31 -0.05 0.00 0.04 0.00 0.00 34.50 29.10 2dwu s PRO 69 CO 0.24 -2.51 0.94 -0.51 0.04 0.00 0.00 177.00 175.20 2dwu s LEU 70 N 6.17 4.45 -0.04 -3.56 1.43 -1.26 -0.62 118.68 125.25 2dwu s LEU 70 Ca 0.52 1.70 0.21 0.00 -1.03 0.00 0.00 54.13 55.54 2dwu s LEU 70 Cb -0.01 -3.53 -0.32 0.00 0.03 0.00 0.00 46.19 42.35 2dwu s LEU 70 CO -0.06 -0.11 0.44 2.29 0.23 0.00 0.00 176.35 179.14 2dwu n LYS 71 N 3.12 0.65 -3.48 1.70 2.85 -0.06 -4.84 118.16 118.10 2dwu n LYS 71 Ca 0.03 -0.18 -0.09 0.00 -1.05 0.00 0.00 58.31 57.01 2dwu n LYS 71 Cb 0.50 -1.51 -0.02 0.00 -0.65 0.00 0.00 35.03 33.35 2dwu n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dwu s ALA 72 N -3.41 -1.76 -0.07 0.58 0.00 -1.25 -4.22 121.76 111.64 2dwu s ALA 72 Ca -0.08 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.79 2dwu s ALA 72 Cb 0.13 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.79 2dwu s ALA 72 CO 0.88 -0.71 -0.18 -1.17 0.00 0.00 0.00 175.76 174.59 2dwu s LEU 73 N -2.54 1.86 -0.17 0.00 2.96 -0.25 -1.14 118.68 119.41 2dwu s LEU 73 Ca 0.04 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2dwu s LEU 73 Cb -0.01 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 2dwu s LEU 73 CO -0.10 0.11 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.25 2dwu s VAL 74 N 0.39 3.13 -0.68 1.68 1.01 0.57 -0.26 120.40 126.24 2dwu s VAL 74 Ca -0.13 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2dwu s VAL 74 Cb -0.15 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 33.99 2dwu s VAL 74 CO 0.05 0.49 0.78 -0.69 0.00 0.00 0.00 175.10 175.72 2dwu s VAL 75 N 0.87 4.93 -0.05 2.92 1.01 -0.13 -1.38 120.40 128.56 2dwu s VAL 75 Ca -0.03 -1.31 0.25 0.00 0.00 0.00 0.00 61.98 60.89 2dwu s VAL 75 Cb -0.15 -4.53 0.27 0.00 0.00 0.00 0.00 36.38 31.97 2dwu s VAL 75 CO 0.00 -1.17 1.76 0.00 0.00 0.00 0.00 175.10 175.69 2dwu h ALA 76 N 8.92 0.96 -2.43 5.51 0.00 -1.40 -3.00 119.26 127.82 2dwu h ALA 76 Ca -0.17 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.01 2dwu h ALA 76 Cb 1.07 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2dwu h ALA 76 CO 1.05 0.21 0.31 0.00 0.00 0.00 0.00 179.25 180.82 2dwu h ASN 78 N 7.43 0.74 -0.44 0.00 2.35 -1.85 0.38 115.58 124.19 2dwu h ASN 78 Ca -0.29 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.24 2dwu h ASN 78 Cb 1.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 2dwu h ASN 78 CO 0.82 0.79 0.09 0.74 -1.65 0.00 0.00 177.43 178.22 2dwu h THR 79 N 0.73 1.24 -0.55 2.81 2.02 -1.93 -0.77 112.91 116.47 2dwu h THR 79 Ca 0.15 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 2dwu h THR 79 Cb 0.41 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2dwu h THR 79 CO 0.01 0.30 -0.06 0.00 0.37 0.00 0.00 175.52 176.14 2dwu h ALA 80 N 0.95 0.75 -0.56 6.16 0.00 -1.90 -2.17 119.26 122.49 2dwu h ALA 80 Ca 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2dwu h ALA 80 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2dwu h ALA 80 CO 0.01 0.63 0.14 0.00 0.00 0.00 0.00 179.25 180.03 2dwu h ALA 81 N 0.94 0.74 -0.83 0.00 0.00 -0.73 0.11 119.26 119.50 2dwu h ALA 81 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dwu h ALA 81 Cb 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2dwu h ALA 81 CO 0.04 0.44 0.52 0.00 0.00 0.00 0.00 179.25 180.25 2dwu h ALA 82 N 1.02 1.35 0.04 0.00 0.00 -0.95 -1.41 119.26 119.31 2dwu h ALA 82 Ca 0.18 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 2dwu h ALA 82 Cb 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2dwu h ALA 82 CO 0.00 0.57 -1.33 0.00 0.00 0.00 0.00 179.25 178.49 2dwu h ALA 83 N 1.44 0.42 0.00 0.00 0.00 -1.03 -3.42 119.26 116.66 2dwu h ALA 83 Ca 0.30 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2dwu h ALA 83 Cb -0.08 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2dwu h ALA 83 CO -0.06 1.29 0.00 2.41 0.00 0.00 0.00 179.25 182.89 2dwu n THR 84 N -3.31 0.05 -0.07 0.00 -1.04 0.36 -4.82 114.28 105.45 2dwu n THR 84 Ca -0.09 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 2dwu n THR 84 Cb 1.00 1.32 -0.02 0.00 -1.82 0.00 0.00 70.33 70.81 2dwu n THR 84 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2dwu h LEU 85 N 0.00 0.30 -0.70 -4.42 5.85 -1.39 -1.36 115.31 113.58 2dwu h LEU 85 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2dwu h LEU 85 Cb 0.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2dwu h LEU 85 CO 0.00 0.22 0.41 0.00 -0.34 0.00 0.00 178.44 178.73 2dwu h ALA 86 N 1.09 0.89 -0.78 1.25 0.00 -1.89 -0.75 119.26 119.07 2dwu h ALA 86 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dwu h ALA 86 Cb -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2dwu h ALA 86 CO -0.02 0.37 0.33 0.00 0.00 0.00 0.00 179.25 179.93 2dwu h ALA 87 N 1.21 1.01 -0.33 0.00 0.00 -1.84 -2.15 119.26 117.17 2dwu h ALA 87 Ca 0.25 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2dwu h ALA 87 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2dwu h ALA 87 CO -0.05 0.62 -0.19 -0.07 0.00 0.00 0.00 179.25 179.56 2dwu h LEU 88 N 1.12 0.73 -1.44 0.00 3.38 -0.84 -1.27 115.31 117.00 2dwu h LEU 88 Ca 0.26 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2dwu h LEU 88 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2dwu h LEU 88 CO -0.02 1.00 -0.17 1.56 0.09 0.00 0.00 178.44 180.90 2dwu h GLN 89 N 0.47 0.16 -0.04 1.13 4.20 -1.00 -0.48 115.11 119.56 2dwu h GLN 89 Ca 0.07 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 2dwu h GLN 89 Cb 0.74 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.50 2dwu h GLN 89 CO 0.05 0.33 -0.32 1.49 -0.67 0.00 0.00 178.83 179.72 2dwu h GLU 90 N 0.15 0.28 -0.49 1.46 4.22 -1.28 -3.36 114.58 115.56 2dwu h GLU 90 Ca 0.03 -0.25 -0.12 0.00 0.08 0.00 0.00 59.36 59.10 2dwu h GLU 90 Cb 0.39 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2dwu h GLU 90 CO 0.03 0.92 -0.16 0.00 -2.18 0.00 0.00 179.01 177.62 2dwu h ALA 91 N 0.36 0.68 -2.50 2.92 0.00 -0.84 -3.45 119.26 116.43 2dwu h ALA 91 Ca -0.03 -0.37 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 2dwu h ALA 91 Cb 1.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2dwu h ALA 91 CO 0.06 0.63 -0.25 -0.51 0.00 0.00 0.00 179.25 179.18 2dwu s LEU 92 N -9.16 4.16 0.05 0.00 1.43 -0.22 -5.01 118.68 109.93 2dwu s LEU 92 Ca -0.12 0.55 0.22 0.00 -1.03 0.00 0.00 54.13 53.76 2dwu s LEU 92 Cb 0.12 -3.34 -0.14 0.00 0.03 0.00 0.00 46.19 42.86 2dwu s LEU 92 CO 0.86 -0.10 0.80 -1.20 0.23 0.00 0.00 176.35 176.94 2dwu n SER 93 N -0.70 0.44 -4.90 2.29 7.64 -1.26 -4.83 113.62 112.30 2dwu n SER 93 Ca -0.03 -0.04 -0.28 0.00 1.01 0.00 0.00 58.87 59.52 2dwu n SER 93 Cb 0.54 1.22 0.01 0.00 -1.01 0.00 0.00 64.21 64.97 2dwu n SER 93 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2dwu s ILE 94 N -3.36 4.40 0.25 0.44 -4.36 -1.26 -5.01 121.20 112.30 2dwu s ILE 94 Ca -0.02 0.35 -0.30 0.00 -0.26 0.00 0.00 60.65 60.42 2dwu s ILE 94 Cb 0.13 -3.72 -0.10 0.00 1.25 0.00 0.00 42.46 40.02 2dwu s ILE 94 CO 0.85 -0.81 1.43 -2.84 0.24 0.00 0.00 174.94 173.81 2dwu s PRO 95 N -4.97 4.28 -0.19 0.37 0.02 -1.26 -4.87 135.00 128.37 2dwu s PRO 95 Ca 0.52 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.84 2dwu s PRO 95 Cb -0.11 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.33 2dwu s PRO 95 CO 0.48 -0.40 -0.19 0.08 -0.33 0.00 0.00 177.00 176.64 2dwu s VAL 96 N -0.08 2.09 -0.20 3.83 1.01 -1.26 -1.09 120.40 124.71 2dwu s VAL 96 Ca 0.58 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2dwu s VAL 96 Cb -0.41 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2dwu s VAL 96 CO 0.44 0.46 -0.06 -0.63 0.00 0.00 0.00 175.10 175.31 2dwu s ILE 97 N 1.27 3.35 0.43 2.22 1.09 0.64 -4.96 121.20 125.23 2dwu s ILE 97 Ca 0.03 -0.51 0.06 0.00 -1.10 0.00 0.00 60.65 59.13 2dwu s ILE 97 Cb -0.14 -2.50 0.01 0.00 -1.06 0.00 0.00 42.46 38.77 2dwu s ILE 97 CO -0.12 0.45 0.59 -0.83 -0.10 0.00 0.00 174.94 174.93 2dwu s GLY 98 N 1.18 1.85 0.00 6.18 0.00 -1.26 -0.96 107.32 114.31 2dwu s GLY 98 Ca 0.02 -1.55 0.25 0.00 0.00 0.00 0.00 44.72 43.44 2dwu s GLY 98 CO -0.01 -1.37 1.43 3.33 0.00 0.00 0.00 173.10 176.47 2dwu n VAL 99 N -1.90 0.00 -0.05 1.40 0.24 -1.13 -4.35 118.33 112.53 2dwu n VAL 99 Ca 0.06 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 62.24 2dwu n VAL 99 Cb 0.59 0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 2dwu n VAL 99 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2dwu h ILE 100 N 0.31 1.11 -0.90 1.34 2.04 -1.92 -3.29 117.51 116.20 2dwu h ILE 100 Ca 0.00 -1.77 -0.00 0.00 1.00 0.00 0.00 64.86 64.09 2dwu h ILE 100 Cb 0.50 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2dwu h ILE 100 CO 0.00 0.37 0.55 0.45 0.00 0.00 0.00 178.15 179.52 2dwu h HIS 101 N -0.98 1.17 -0.55 1.37 3.86 -1.96 -1.58 115.15 116.48 2dwu h HIS 101 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2dwu h HIS 101 Cb 0.62 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 2dwu h HIS 101 CO 0.17 0.77 0.22 -1.35 0.86 0.00 0.00 177.93 178.59 2dwu h PRO 102 N 1.23 0.79 -0.36 2.45 0.11 -1.76 -0.05 132.00 134.42 2dwu h PRO 102 Ca 0.32 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 2dwu h PRO 102 Cb -0.07 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 2dwu h PRO 102 CO -0.06 0.65 -0.10 0.78 -0.21 0.00 0.00 178.00 179.06 2dwu h GLY 103 N 0.92 0.75 0.99 -0.55 0.00 -1.44 -1.83 103.07 101.90 2dwu h GLY 103 Ca 0.19 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2dwu h GLY 103 CO -0.02 0.58 0.29 0.00 0.00 0.00 0.00 176.54 177.38 2dwu h ALA 104 N 0.81 0.62 -0.61 3.60 0.00 -0.95 -1.10 119.26 121.63 2dwu h ALA 104 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dwu h ALA 104 Cb 0.61 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2dwu h ALA 104 CO 0.04 0.12 0.39 -0.09 0.00 0.00 0.00 179.25 179.71 2dwu h ARG 105 N 0.65 0.82 -0.25 0.00 2.43 -0.90 -1.83 114.38 115.29 2dwu h ARG 105 Ca 0.17 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2dwu h ARG 105 Cb 0.01 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2dwu h ARG 105 CO -0.03 0.57 -0.21 0.00 -1.51 0.00 0.00 179.97 178.78 2dwu h ALA 106 N 1.21 1.16 -0.75 2.80 0.00 -1.13 -2.30 119.26 120.25 2dwu h ALA 106 Ca 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2dwu h ALA 106 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2dwu h ALA 106 CO -0.05 0.53 0.35 0.00 0.00 0.00 0.00 179.25 180.08 2dwu h ALA 107 N 1.36 0.97 -0.53 0.00 0.00 -0.51 -1.48 119.26 119.06 2dwu h ALA 107 Ca 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2dwu h ALA 107 Cb 0.61 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2dwu h ALA 107 CO 0.04 0.55 0.10 0.82 0.00 0.00 0.00 179.25 180.76 2dwu h ILE 108 N 1.06 1.23 -0.58 0.00 2.04 -1.06 -1.01 117.51 119.19 2dwu h ILE 108 Ca 0.26 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 2dwu h ILE 108 Cb 0.14 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2dwu h ILE 108 CO -0.03 0.32 0.00 0.50 0.00 0.00 0.00 178.15 178.94 2dwu h LYS 109 N 0.79 1.01 0.00 2.37 3.64 -0.83 -3.30 116.57 120.25 2dwu h LYS 109 Ca 0.17 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2dwu h LYS 109 Cb 0.33 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2dwu h LYS 109 CO 0.00 0.99 -1.18 1.33 -2.27 0.00 0.00 179.45 178.32 2dwu n VAL 110 N -4.18 0.37 -2.34 2.00 0.24 -0.62 -4.93 118.33 108.86 2dwu n VAL 110 Ca 0.03 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.34 61.50 2dwu n VAL 110 Cb 0.34 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 2dwu n VAL 110 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2dwu s THR 111 N -3.34 3.23 -0.13 3.34 -1.32 -0.40 -4.93 115.64 112.08 2dwu s THR 111 Ca -0.00 1.10 0.10 0.00 -1.21 0.00 0.00 61.69 61.67 2dwu s THR 111 Cb 0.12 -3.65 -0.15 0.00 -1.51 0.00 0.00 72.50 67.31 2dwu s THR 111 CO 0.81 0.16 0.01 0.29 -2.21 0.00 0.00 174.62 173.69 2dwu n LYS 112 N 0.46 1.68 0.00 7.08 5.02 -1.26 -4.65 118.16 126.48 2dwu n LYS 112 Ca 0.02 0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 2dwu n LYS 112 Cb 0.46 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 34.16 2dwu n LYS 112 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2dwu n LYS 113 N -2.55 1.55 -2.18 1.97 2.85 -1.26 -4.98 118.16 113.56 2dwu n LYS 113 Ca -0.22 -1.03 -0.05 0.00 -1.05 0.00 0.00 58.31 55.96 2dwu n LYS 113 Cb 0.89 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 2dwu n LYS 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dwu n GLY 114 N 1.22 0.21 2.91 2.58 0.00 -1.26 -4.94 105.19 105.90 2dwu n GLY 114 Ca 0.08 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2dwu n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dwu s LYS 115 N -4.38 1.49 -0.07 1.61 1.02 -1.26 -1.27 119.74 116.88 2dwu s LYS 115 Ca 0.02 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.28 2dwu s LYS 115 Cb -0.01 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.95 2dwu s LYS 115 CO 0.02 -0.54 -0.22 0.42 -0.92 0.00 0.00 175.35 174.11 2dwu s ILE 116 N 1.52 1.87 0.17 2.17 1.01 0.03 -1.75 121.20 126.22 2dwu s ILE 116 Ca -0.03 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.72 2dwu s ILE 116 Cb -0.17 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2dwu s ILE 116 CO -0.07 0.52 0.20 -0.83 0.00 0.00 0.00 174.94 174.77 2dwu s GLY 117 N 0.08 1.65 -0.01 6.18 0.00 0.54 -0.84 107.32 114.92 2dwu s GLY 117 Ca -0.09 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.46 2dwu s GLY 117 CO 0.05 -1.18 0.02 0.14 0.00 0.00 0.00 173.10 172.12 2dwu s VAL 118 N -1.80 -0.03 0.09 1.40 1.01 0.03 -0.88 120.40 120.23 2dwu s VAL 118 Ca 0.32 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.50 2dwu s VAL 118 Cb -0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2dwu s VAL 118 CO 0.26 0.05 -0.18 0.27 0.00 0.00 0.00 175.10 175.49 2dwu s ILE 119 N 0.60 1.50 -0.01 2.22 -4.36 -1.02 -1.13 121.20 119.00 2dwu s ILE 119 Ca -0.05 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2dwu s ILE 119 Cb -0.07 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.25 2dwu s ILE 119 CO -0.02 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.65 2dwu n GLY 120 N 1.14 -1.17 3.74 6.27 0.00 -1.14 -0.68 105.19 113.36 2dwu n GLY 120 Ca -0.20 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2dwu n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dwu s THR 121 N -3.00 2.52 0.23 2.61 -4.23 -1.26 -1.06 115.64 111.45 2dwu s THR 121 Ca 0.00 0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 2dwu s THR 121 Cb 0.00 -2.75 0.19 0.00 1.34 0.00 0.00 72.50 71.28 2dwu s THR 121 CO 0.00 -0.22 1.86 0.58 -0.54 0.00 0.00 174.62 176.30 2dwu h VAL 122 N -1.52 1.08 -0.56 2.29 2.07 -1.93 -0.81 116.25 116.87 2dwu h VAL 122 Ca -0.50 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2dwu h VAL 122 Cb 1.30 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2dwu h VAL 122 CO 0.57 0.17 0.28 1.23 0.02 0.00 0.00 177.57 179.85 2dwu h GLY 123 N 0.96 0.85 0.92 2.17 0.00 -1.68 0.13 103.07 106.42 2dwu h GLY 123 Ca 0.34 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2dwu h GLY 123 CO -0.14 0.39 0.11 -0.84 0.00 0.00 0.00 176.54 176.06 2dwu h THR 124 N 0.75 1.16 -0.30 4.70 2.02 -1.73 -2.58 112.91 116.94 2dwu h THR 124 Ca 0.19 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 2dwu h THR 124 Cb 0.09 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2dwu h THR 124 CO -0.03 0.16 -0.29 0.40 0.37 0.00 0.00 175.52 176.14 2dwu h ILE 125 N 0.28 1.30 0.00 3.11 1.08 -0.97 -3.07 117.51 119.23 2dwu h ILE 125 Ca 0.09 -1.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.09 2dwu h ILE 125 Cb 0.15 1.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2dwu h ILE 125 CO -0.01 0.47 -0.07 1.56 -0.69 0.00 0.00 178.15 179.41 2dwu h GLN 126 N 0.47 0.00 0.00 2.37 1.08 -0.71 -1.69 115.11 116.63 2dwu h GLN 126 Ca 0.05 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2dwu h GLN 126 Cb 0.86 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2dwu h GLN 126 CO 0.07 0.07 -0.16 0.66 -0.95 0.00 0.00 178.83 178.52 2dwu h SER 127 N 0.00 0.00 -1.52 1.46 4.64 -1.36 -3.46 113.55 113.30 2dwu h SER 127 Ca -0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 2dwu h SER 127 Cb 0.25 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.20 2dwu h SER 127 CO 0.01 0.16 -0.43 -3.20 -0.87 0.00 0.00 176.83 172.50 2dwu n ASN 128 N -3.37 -5.60 -0.02 4.97 5.15 -0.64 -4.89 115.26 110.87 2dwu n ASN 128 Ca -0.00 0.38 0.01 0.00 -0.60 0.00 0.00 54.58 54.37 2dwu n ASN 128 Cb 0.37 -4.87 0.34 0.00 -0.53 0.00 0.00 39.78 35.08 2dwu n ASN 128 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 2dwu h MET 129 N 0.00 0.57 -0.14 1.20 2.86 -1.83 -1.77 114.93 115.82 2dwu h MET 129 Ca -0.44 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.10 2dwu h MET 129 Cb 1.36 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 2dwu h MET 129 CO 0.61 0.50 0.02 1.88 1.06 0.00 0.00 176.91 180.98 2dwu h TYR 130 N 0.57 0.25 -0.64 -0.22 0.05 -1.90 0.14 116.97 115.22 2dwu h TYR 130 Ca 0.14 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 2dwu h TYR 130 Cb 0.15 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2dwu h TYR 130 CO 0.01 0.42 0.30 1.49 -1.05 0.00 0.00 178.16 179.33 2dwu h GLU 131 N 0.01 0.93 -0.66 4.88 4.81 -1.93 -0.51 114.58 122.12 2dwu h GLU 131 Ca 0.04 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 2dwu h GLU 131 Cb 0.31 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2dwu h GLU 131 CO 0.00 0.75 0.23 0.87 -0.73 0.00 0.00 179.01 180.14 2dwu h LYS 132 N 0.89 1.00 -0.45 1.92 1.57 -1.18 -0.15 116.57 120.17 2dwu h LYS 132 Ca 0.22 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2dwu h LYS 132 Cb 0.13 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2dwu h LYS 132 CO -0.03 0.86 -0.00 0.00 -0.57 0.00 0.00 179.45 179.71 2dwu h ALA 133 N 1.10 0.60 -0.41 3.86 0.00 -0.41 -1.76 119.26 122.24 2dwu h ALA 133 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2dwu h ALA 133 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2dwu h ALA 133 CO -0.01 0.40 0.18 -0.07 0.00 0.00 0.00 179.25 179.75 2dwu h LEU 134 N 0.64 0.54 -1.32 0.00 3.38 -0.90 -2.91 115.31 114.75 2dwu h LEU 134 Ca 0.13 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2dwu h LEU 134 Cb 0.50 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2dwu h LEU 134 CO 0.02 0.53 -0.17 0.45 0.09 0.00 0.00 178.44 179.36 2dwu h HIS 135 N 0.51 0.00 -0.41 1.13 3.86 -0.93 -0.49 115.15 118.83 2dwu h HIS 135 Ca 0.14 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 2dwu h HIS 135 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2dwu h HIS 135 CO -0.01 0.17 -0.01 1.49 0.86 0.00 0.00 177.93 180.43 2dwu h GLU 136 N 0.00 0.66 0.09 2.45 4.81 -1.12 -2.94 114.58 118.53 2dwu h GLU 136 Ca -0.00 -0.17 -0.31 0.00 -0.13 0.00 0.00 59.36 58.76 2dwu h GLU 136 Cb 0.64 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2dwu h GLU 136 CO 0.02 0.69 -1.62 -0.07 -0.73 0.00 0.00 179.01 177.31 2dwu h LEU 137 N 0.62 0.29 -6.37 1.64 3.38 -1.33 -3.45 115.31 110.10 2dwu h LEU 137 Ca 0.13 -0.46 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 2dwu h LEU 137 Cb 0.41 -0.09 -0.29 0.00 0.09 0.00 0.00 40.66 40.78 2dwu h LEU 137 CO 0.02 1.39 -0.48 -0.62 0.09 0.00 0.00 178.44 178.84 2dwu s ASP 138 N -6.78 0.14 0.50 -0.43 3.68 -0.25 -5.02 116.67 108.50 2dwu s ASP 138 Ca -0.10 0.08 0.19 0.00 2.13 0.00 0.00 52.55 54.85 2dwu s ASP 138 Cb 0.07 1.21 1.24 0.00 -1.45 0.00 0.00 42.92 43.99 2dwu s ASP 138 CO 0.83 -0.31 2.08 0.74 0.13 0.00 0.00 175.17 178.63 2dwu h THR 139 N 6.16 0.94 -0.95 1.71 2.02 -1.77 -3.25 112.91 117.77 2dwu h THR 139 Ca -0.16 -0.37 -0.48 0.00 0.77 0.00 0.00 66.41 66.16 2dwu h THR 139 Cb 1.14 1.21 -0.18 0.00 -1.74 0.00 0.00 68.15 68.58 2dwu h THR 139 CO 0.27 0.10 0.49 -1.22 0.37 0.00 0.00 175.52 175.53 2dwu n TYR 140 N -4.22 1.83 -4.40 3.16 4.02 -1.26 -4.89 117.16 111.41 2dwu n TYR 140 Ca -0.03 -2.08 -0.30 0.00 -0.01 0.00 0.00 57.90 55.49 2dwu n TYR 140 Cb 0.18 -1.24 -0.12 0.00 -0.02 0.00 0.00 39.34 38.14 2dwu n TYR 140 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dwu s LEU 141 N -2.36 2.70 -0.22 7.72 1.43 -1.23 -4.95 118.68 121.78 2dwu s LEU 141 Ca 0.50 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2dwu s LEU 141 Cb 0.36 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 2dwu s LEU 141 CO -0.15 0.20 0.06 -0.75 0.23 0.00 0.00 176.35 175.94 2dwu s LYS 142 N -1.95 3.79 -0.12 1.70 2.47 -0.40 -5.01 119.74 120.22 2dwu s LYS 142 Ca 0.17 -0.43 0.03 0.00 -1.56 0.00 0.00 55.97 54.19 2dwu s LYS 142 Cb -0.11 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 33.00 2dwu s LYS 142 CO 0.09 0.01 -0.22 0.08 0.16 0.00 0.00 175.35 175.47 2dwu s VAL 143 N 1.08 2.13 -0.26 4.02 1.01 -1.26 -0.79 120.40 126.33 2dwu s VAL 143 Ca 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 2dwu s VAL 143 Cb -0.14 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2dwu s VAL 143 CO 0.03 0.55 -0.02 -1.00 0.00 0.00 0.00 175.10 174.66 2dwu s HIS 144 N 0.53 3.09 -0.18 5.22 3.76 -0.02 -4.99 115.29 122.71 2dwu s HIS 144 Ca -0.14 -1.40 -0.03 0.00 -0.15 0.00 0.00 55.06 53.34 2dwu s HIS 144 Cb -0.17 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 2dwu s HIS 144 CO 0.04 -0.69 -0.06 -1.12 -0.85 0.00 0.00 174.74 172.07 2dwu s SER 145 N 1.37 4.38 -0.03 1.40 0.01 -1.26 -0.79 113.70 118.78 2dwu s SER 145 Ca 0.01 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.98 2dwu s SER 145 Cb -0.17 -1.72 0.02 0.00 0.21 0.00 0.00 66.02 64.36 2dwu s SER 145 CO -0.02 0.08 -0.04 -1.00 0.41 0.00 0.00 173.24 172.66 2dwu s HIS 146 N 0.89 0.62 0.23 2.43 3.76 -0.28 -4.98 115.29 117.96 2dwu s HIS 146 Ca -0.01 -0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.46 2dwu s HIS 146 Cb -0.15 -0.53 -0.09 0.00 1.11 0.00 0.00 32.58 32.92 2dwu s HIS 146 CO 0.01 -0.13 0.93 0.00 -0.85 0.00 0.00 174.74 174.71 2dwu s ALA 147 N 0.62 3.34 -0.49 -1.40 0.00 -1.26 -2.86 121.76 119.70 2dwu s ALA 147 Ca -0.08 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.57 2dwu s ALA 147 Cb -0.11 -3.20 0.28 0.00 0.00 0.00 0.00 23.12 20.09 2dwu s ALA 147 CO -0.00 0.21 0.68 0.00 0.00 0.00 0.00 175.76 176.65 2dwu h PRO 149 N 3.77 0.14 0.00 0.00 0.11 -1.94 -2.73 132.00 131.35 2dwu h PRO 149 Ca 0.13 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.10 2dwu h PRO 149 Cb 0.77 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 2dwu h PRO 149 CO 0.64 0.09 -0.62 1.79 -0.21 0.00 0.00 178.00 179.69 2dwu h THR 150 N 0.14 1.14 -0.80 -1.15 1.35 -1.96 -3.39 112.91 108.23 2dwu h THR 150 Ca 0.68 -2.40 0.14 0.00 -0.55 0.00 0.00 66.41 64.28 2dwu h THR 150 Cb 1.56 2.42 -0.09 0.00 -1.73 0.00 0.00 68.15 70.31 2dwu h THR 150 CO -0.73 0.61 0.38 -0.07 -0.25 0.00 0.00 175.52 175.46 2dwu h LEU 151 N 0.00 0.43 -0.72 3.87 3.38 -1.86 -1.48 115.31 118.94 2dwu h LEU 151 Ca -0.01 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2dwu h LEU 151 Cb 1.37 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2dwu h LEU 151 CO 0.08 0.18 0.22 0.00 0.09 0.00 0.00 178.44 179.01 2dwu h ALA 152 N 1.55 0.94 -0.51 1.53 0.00 -1.79 -1.05 119.26 119.93 2dwu h ALA 152 Ca 0.44 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2dwu h ALA 152 Cb 0.63 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2dwu h ALA 152 CO -0.37 0.62 -0.02 1.15 0.00 0.00 0.00 179.25 180.63 2dwu h THR 153 N 1.06 1.25 -0.56 0.00 2.02 -1.64 -1.51 112.91 113.52 2dwu h THR 153 Ca 0.23 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.35 2dwu h THR 153 Cb 0.30 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2dwu h THR 153 CO -0.01 0.38 0.36 0.58 0.37 0.00 0.00 175.52 177.20 2dwu h VAL 154 N 0.80 1.11 -0.63 3.16 2.07 -0.84 0.86 116.25 122.79 2dwu h VAL 154 Ca 0.15 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2dwu h VAL 154 Cb 0.50 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2dwu h VAL 154 CO 0.03 0.13 0.25 0.58 0.02 0.00 0.00 177.57 178.58 2dwu h VAL 155 N 0.72 1.23 0.00 2.57 2.07 -0.60 -0.10 116.25 122.15 2dwu h VAL 155 Ca 0.22 -0.73 -0.16 0.00 0.82 0.00 0.00 66.70 66.85 2dwu h VAL 155 Cb -0.04 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2dwu h VAL 155 CO -0.07 0.29 -0.77 -0.33 0.02 0.00 0.00 177.57 176.71 2dwu h GLU 156 N 0.88 0.00 0.00 1.57 5.08 -0.92 -3.38 114.58 117.81 2dwu h GLU 156 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2dwu h GLU 156 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2dwu h GLU 156 CO -0.02 0.77 -0.03 0.09 -1.00 0.00 0.00 179.01 178.82 2dwu n ASN 157 N -3.36 0.16 -0.26 1.42 5.03 0.26 -4.82 115.26 113.70 2dwu n ASN 157 Ca 0.01 -0.45 0.01 0.00 0.87 0.00 0.00 54.58 55.01 2dwu n ASN 157 Cb 0.82 0.94 0.01 0.00 -1.02 0.00 0.00 39.78 40.53 2dwu n ASN 157 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2dwu n ARG 158 N -0.96 0.23 0.15 3.52 5.12 -0.11 -4.90 116.66 119.72 2dwu n ARG 158 Ca 0.00 -0.94 0.15 0.00 -1.93 0.00 0.00 57.85 55.13 2dwu n ARG 158 Cb 0.00 -0.59 0.72 0.00 -1.16 0.00 0.00 32.46 31.43 2dwu n ARG 158 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2dwu h LEU 159 N 0.00 0.00 -0.12 0.55 5.85 -1.57 -0.91 115.31 119.10 2dwu h LEU 159 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dwu h LEU 159 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2dwu h LEU 159 CO 0.00 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 177.77 2dwu h GLU 160 N 0.00 0.00 -4.85 1.25 4.39 -1.90 -3.38 114.58 110.09 2dwu h GLU 160 Ca 0.12 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 59.09 2dwu h GLU 160 Cb 0.51 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.99 2dwu h GLU 160 CO -0.00 0.00 1.33 0.34 -1.16 0.00 0.00 179.01 179.52 2dwu s ASP 161 N -4.59 7.00 0.28 1.42 -1.08 -0.35 -4.86 116.67 114.49 2dwu s ASP 161 Ca 0.09 -2.84 0.02 0.00 -0.52 0.00 0.00 52.55 49.30 2dwu s ASP 161 Cb 0.11 -2.41 0.62 0.00 -1.46 0.00 0.00 42.92 39.78 2dwu s ASP 161 CO 0.57 -0.81 1.76 0.74 0.52 0.00 0.00 175.17 177.95 2dwu h THR 162 N 4.86 0.71 -0.60 1.71 2.02 -1.81 -0.57 112.91 119.22 2dwu h THR 162 Ca 0.30 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 67.17 2dwu h THR 162 Cb 0.89 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2dwu h THR 162 CO 1.24 0.12 0.05 0.00 0.37 0.00 0.00 175.52 177.30 2dwu h ALA 163 N 1.60 0.80 -0.41 6.16 0.00 -1.96 -0.76 119.26 124.70 2dwu h ALA 163 Ca 0.51 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2dwu h ALA 163 Cb 0.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dwu h ALA 163 CO -0.38 0.60 -0.25 -0.92 0.00 0.00 0.00 179.25 178.30 2dwu h TYR 164 N 0.93 1.04 -0.37 0.00 5.03 -1.66 -2.05 116.97 119.88 2dwu h TYR 164 Ca 0.18 -0.27 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 2dwu h TYR 164 Cb 0.49 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 2dwu h TYR 164 CO 0.04 1.07 0.12 0.28 -1.32 0.00 0.00 178.16 178.35 2dwu h VAL 165 N 0.71 1.21 -0.80 1.81 2.07 -0.96 -0.70 116.25 119.59 2dwu h VAL 165 Ca 0.08 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2dwu h VAL 165 Cb 0.83 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2dwu h VAL 165 CO 0.07 0.24 0.52 0.74 0.02 0.00 0.00 177.57 179.16 2dwu h THR 166 N 0.45 1.15 -0.56 2.57 2.02 -1.04 0.45 112.91 117.95 2dwu h THR 166 Ca 0.12 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 2dwu h THR 166 Cb 0.25 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2dwu h THR 166 CO -0.00 0.19 -0.06 -0.61 0.37 0.00 0.00 175.52 175.40 2dwu h GLN 167 N 1.02 1.03 -0.27 6.66 5.75 -1.06 -0.83 115.11 127.42 2dwu h GLN 167 Ca 0.31 -0.35 -0.15 0.00 -0.15 0.00 0.00 58.65 58.30 2dwu h GLN 167 Cb -0.04 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2dwu h GLN 167 CO -0.10 1.04 -0.46 1.96 -2.65 0.00 0.00 178.83 178.63 2dwu h GLN 168 N 0.93 0.70 -0.44 1.69 1.08 -0.66 -1.20 115.11 117.21 2dwu h GLN 168 Ca 0.15 -0.39 -0.14 0.00 -1.45 0.00 0.00 58.65 56.82 2dwu h GLN 168 Cb 0.62 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2dwu h GLN 168 CO 0.04 1.01 -0.27 0.28 -0.95 0.00 0.00 178.83 178.94 2dwu h VAL 169 N 0.56 1.27 -0.32 -0.54 2.07 -0.83 -0.88 116.25 117.58 2dwu h VAL 169 Ca 0.03 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2dwu h VAL 169 Cb 1.01 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2dwu h VAL 169 CO 0.10 0.49 0.21 0.50 0.02 0.00 0.00 177.57 178.88 2dwu h LYS 170 N 0.81 0.42 -0.62 1.57 3.64 -0.96 -1.09 116.57 120.34 2dwu h LYS 170 Ca 0.09 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2dwu h LYS 170 Cb 0.85 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2dwu h LYS 170 CO 0.08 0.28 0.05 1.96 -2.27 0.00 0.00 179.45 179.55 2dwu h GLN 171 N 0.43 1.06 -0.44 1.90 4.20 -1.13 -1.96 115.11 119.17 2dwu h GLN 171 Ca 0.12 -0.31 -0.12 0.00 0.06 0.00 0.00 58.65 58.40 2dwu h GLN 171 Cb -0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2dwu h GLN 171 CO -0.02 1.01 -0.18 0.00 -0.67 0.00 0.00 178.83 178.96 2dwu h ALA 172 N 1.01 0.84 -0.01 3.87 0.00 -0.91 -3.20 119.26 120.86 2dwu h ALA 172 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dwu h ALA 172 Cb 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dwu h ALA 172 CO 0.02 0.64 -0.22 1.28 0.00 0.00 0.00 179.25 180.98 2dwu n LEU 173 N -4.12 1.17 -0.20 0.00 4.77 -0.43 -4.38 117.00 113.80 2dwu n LEU 173 Ca 0.01 -0.33 0.01 0.00 -0.03 0.00 0.00 56.01 55.67 2dwu n LEU 173 Cb 0.42 -0.09 0.11 0.00 -2.33 0.00 0.00 43.42 41.53 2dwu n LEU 173 CO 0.45 0.21 0.87 0.25 -1.33 0.00 0.00 177.39 177.84 2dwu h LEU 174 N 1.50 -0.17 -1.48 2.23 6.46 -1.35 -0.21 115.31 122.28 2dwu h LEU 174 Ca 0.00 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 2dwu h LEU 174 Cb 0.52 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 2dwu h LEU 174 CO 0.00 -0.07 0.41 -0.65 -0.62 0.00 0.00 178.44 177.51 2dwu h PRO 175 N 0.17 0.62 0.00 5.25 0.11 -1.82 -1.98 132.00 134.35 2dwu h PRO 175 Ca 0.32 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 2dwu h PRO 175 Cb 0.52 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2dwu h PRO 175 CO -0.49 0.41 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.33 2dwu h LEU 176 N 0.64 0.00 -1.50 2.35 3.38 -1.37 -2.99 115.31 115.82 2dwu h LEU 176 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2dwu h LEU 176 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2dwu h LEU 176 CO -0.08 0.32 0.00 0.71 0.09 0.00 0.00 178.44 179.48 2dwu h THR 177 N 0.00 0.00 0.00 0.22 1.35 -0.53 -1.89 112.91 112.06 2dwu h THR 177 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2dwu h THR 177 Cb 1.12 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2dwu h THR 177 CO 0.04 0.00 -0.53 0.29 -0.25 0.00 0.00 175.52 175.07 2dwu n LYS 178 N -2.87 0.11 -3.97 4.72 5.02 -1.13 -4.90 118.16 115.14 2dwu n LYS 178 Ca 0.00 0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 2dwu n LYS 178 Cb 0.25 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 2dwu n LYS 178 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dwu s GLU 179 N -3.06 3.34 -0.62 1.97 0.41 -0.71 -5.05 118.70 114.97 2dwu s GLU 179 Ca 0.09 -0.63 -0.22 0.00 -0.41 0.00 0.00 54.97 53.81 2dwu s GLU 179 Cb 0.16 -2.92 0.07 0.00 -1.78 0.00 0.00 34.13 29.66 2dwu s GLU 179 CO 0.70 0.53 0.89 0.34 -0.49 0.00 0.00 175.26 177.23 2dwu s ASP 180 N -3.11 6.20 0.07 -0.19 2.15 -1.26 -5.00 116.67 115.54 2dwu s ASP 180 Ca 0.34 -0.95 0.02 0.00 0.43 0.00 0.00 52.55 52.39 2dwu s ASP 180 Cb -0.11 -2.39 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2dwu s ASP 180 CO 0.27 -1.31 -0.07 0.27 -0.17 0.00 0.00 175.17 174.17 2dwu s ILE 181 N 3.71 0.60 0.00 4.11 -4.36 -1.26 -4.75 121.20 119.26 2dwu s ILE 181 Ca 0.21 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 2dwu s ILE 181 Cb -0.17 -1.25 0.00 0.00 1.25 0.00 0.00 42.46 42.29 2dwu s ILE 181 CO 0.11 -0.69 0.61 -0.90 0.24 0.00 0.00 174.94 174.32 2dwu n ASP 182 N 0.56 1.09 -3.81 4.36 5.75 -0.72 -4.80 116.55 118.99 2dwu n ASP 182 Ca -0.16 -1.36 -0.12 0.00 -0.01 0.00 0.00 54.79 53.13 2dwu n ASP 182 Cb 0.58 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.55 2dwu n ASP 182 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2dwu s THR 183 N -0.36 0.01 -0.07 2.12 2.01 -1.23 -1.15 115.64 116.96 2dwu s THR 183 Ca 0.00 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 2dwu s THR 183 Cb 0.00 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.25 2dwu s THR 183 CO 0.00 -0.03 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.66 2dwu s LEU 184 N -0.02 0.88 -0.19 4.42 2.96 -0.08 -0.34 118.68 126.31 2dwu s LEU 184 Ca -0.01 -0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 53.59 2dwu s LEU 184 Cb -0.02 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 2dwu s LEU 184 CO 0.00 -0.14 0.53 -0.63 -1.32 0.00 0.00 176.35 174.79 2dwu s ILE 185 N 1.60 5.10 -1.06 6.68 1.01 -0.06 -0.46 121.20 134.02 2dwu s ILE 185 Ca -0.00 0.99 -0.21 0.00 0.00 0.00 0.00 60.65 61.42 2dwu s ILE 185 Cb -0.13 -3.85 0.07 0.00 0.01 0.00 0.00 42.46 38.55 2dwu s ILE 185 CO -0.04 0.18 1.45 -0.76 0.00 0.00 0.00 174.94 175.78 2dwu s LEU 186 N 1.56 3.78 -0.09 2.97 1.43 0.11 -2.42 118.68 126.02 2dwu s LEU 186 Ca 0.25 -1.72 -0.01 0.00 -1.03 0.00 0.00 54.13 51.62 2dwu s LEU 186 Cb -0.15 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.52 2dwu s LEU 186 CO 0.10 -1.38 2.33 0.61 0.23 0.00 0.00 176.35 178.23 2dwu n GLY 187 N 6.42 3.03 3.53 -3.19 0.00 0.14 -3.72 105.19 111.40 2dwu n GLY 187 Ca 0.34 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2dwu n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwu h THR 189 N 3.94 0.86 0.00 0.00 1.35 -1.86 -2.80 112.91 114.41 2dwu h THR 189 Ca -0.28 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2dwu h THR 189 Cb 1.16 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2dwu h THR 189 CO 0.16 0.04 -0.51 0.45 -0.25 0.00 0.00 175.52 175.41 2dwu h HIS 190 N 0.24 0.00 0.00 4.73 3.86 -1.96 -3.39 115.15 118.63 2dwu h HIS 190 Ca 0.23 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2dwu h HIS 190 Cb 0.60 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 2dwu h HIS 190 CO -0.00 0.00 -0.09 1.88 0.86 0.00 0.00 177.93 180.58 2dwu h TYR 191 N 0.00 0.00 -0.27 2.45 0.05 -1.85 -2.25 116.97 115.10 2dwu h TYR 191 Ca 0.00 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 2dwu h TYR 191 Cb 0.93 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 2dwu h TYR 191 CO 0.00 0.09 0.22 -1.35 -1.05 0.00 0.00 178.16 176.07 2dwu h PRO 192 N 0.00 0.00 0.00 4.88 0.11 -1.79 0.21 132.00 135.41 2dwu h PRO 192 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2dwu h PRO 192 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2dwu h PRO 192 CO 0.01 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.08 2dwu n LEU 193 N -4.22 0.00 -0.25 2.35 7.99 -0.85 -1.92 117.00 120.11 2dwu n LEU 193 Ca 0.04 0.46 0.02 0.00 -0.01 0.00 0.00 56.01 56.51 2dwu n LEU 193 Cb 0.37 -0.46 0.06 0.00 -0.11 0.00 0.00 43.42 43.28 2dwu n LEU 193 CO 0.33 -0.28 0.52 0.18 -1.51 0.00 0.00 177.39 176.63 2dwu n LEU 194 N -1.46 2.25 -0.23 2.23 4.77 0.71 -4.82 117.00 120.46 2dwu n LEU 194 Ca 0.03 -1.88 0.03 0.00 -0.03 0.00 0.00 56.01 54.16 2dwu n LEU 194 Cb 0.12 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.27 2dwu n LEU 194 CO 0.10 0.56 0.88 -0.08 -1.33 0.00 0.00 177.39 177.52 2dwu h GLU 195 N 0.81 0.18 -0.84 3.23 4.81 -1.23 -1.09 114.58 120.46 2dwu h GLU 195 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2dwu h GLU 195 Cb 0.54 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2dwu h GLU 195 CO 0.00 0.12 0.55 0.77 -0.73 0.00 0.00 179.01 179.73 2dwu h SER 196 N 0.19 0.95 -0.47 1.04 0.02 -1.87 -0.69 113.55 112.72 2dwu h SER 196 Ca 0.37 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 2dwu h SER 196 Cb 0.61 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2dwu h SER 196 CO -0.52 0.67 0.08 1.88 -1.14 0.00 0.00 176.83 177.80 2dwu h TYR 197 N 1.12 0.82 -0.35 3.45 -1.99 -1.61 -2.28 116.97 116.12 2dwu h TYR 197 Ca 0.32 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.92 2dwu h TYR 197 Cb -0.09 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.40 2dwu h TYR 197 CO -0.02 0.76 0.14 0.82 -0.00 0.00 0.00 178.16 179.86 2dwu h ILE 198 N 0.64 1.19 -0.88 -2.88 2.04 -0.91 -1.88 117.51 114.84 2dwu h ILE 198 Ca 0.14 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.43 2dwu h ILE 198 Cb 0.38 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2dwu h ILE 198 CO 0.01 0.21 0.58 0.11 0.00 0.00 0.00 178.15 179.06 2dwu h LYS 199 N 0.42 1.15 -0.66 2.37 1.57 -1.07 -0.08 116.57 120.27 2dwu h LYS 199 Ca 0.12 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2dwu h LYS 199 Cb 0.19 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2dwu h LYS 199 CO -0.01 0.76 0.27 -0.22 -0.57 0.00 0.00 179.45 179.68 2dwu h LYS 200 N 1.18 0.96 -0.03 3.15 1.63 -1.15 0.28 116.57 122.60 2dwu h LYS 200 Ca 0.32 -0.15 -0.24 0.00 -0.85 0.00 0.00 60.65 59.73 2dwu h LYS 200 Cb -0.13 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 31.35 2dwu h LYS 200 CO -0.07 0.78 -0.94 1.49 -3.45 0.00 0.00 179.45 177.26 2dwu h GLU 201 N 0.95 0.60 0.00 1.90 4.57 -0.54 -3.35 114.58 118.72 2dwu h GLU 201 Ca 0.22 -0.60 -0.11 0.00 -1.18 0.00 0.00 59.36 57.69 2dwu h GLU 201 Cb 0.17 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2dwu h GLU 201 CO -0.02 1.22 -1.39 1.28 -1.18 0.00 0.00 179.01 178.91 2dwu n LEU 202 N -3.83 0.72 0.00 1.64 4.77 -0.12 -5.00 117.00 115.18 2dwu n LEU 202 Ca -0.08 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2dwu n LEU 202 Cb 0.83 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 2dwu n LEU 202 CO 0.53 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2dwu n GLY 203 N 1.33 1.13 0.28 -0.72 0.00 0.08 -4.67 105.19 102.62 2dwu n GLY 203 Ca -0.07 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.17 2dwu n GLY 203 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dwu h GLU 204 N 0.00 0.00 -0.02 1.61 4.39 -1.95 -3.04 114.58 115.57 2dwu h GLU 204 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dwu h GLU 204 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2dwu h GLU 204 CO 0.00 0.07 0.00 -0.25 -1.16 0.00 0.00 179.01 177.67 2dwu n ASP 205 N -3.63 0.25 -4.19 1.42 8.00 -1.26 -4.71 116.55 112.43 2dwu n ASP 205 Ca -0.02 -1.34 -0.34 0.00 0.71 0.00 0.00 54.79 53.80 2dwu n ASP 205 Cb 0.18 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.12 2dwu n ASP 205 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dwu s VAL 206 N -1.98 2.61 -0.14 2.53 1.01 -1.15 -4.61 120.40 118.67 2dwu s VAL 206 Ca 0.34 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2dwu s VAL 206 Cb 0.16 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2dwu s VAL 206 CO 0.27 0.44 0.83 -0.89 0.00 0.00 0.00 175.10 175.74 2dwu s THR 207 N 1.35 4.90 -0.27 3.92 2.01 -0.30 -4.88 115.64 122.38 2dwu s THR 207 Ca 0.04 1.64 -0.15 0.00 0.31 0.00 0.00 61.69 63.54 2dwu s THR 207 Cb -0.14 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2dwu s THR 207 CO -0.08 0.07 0.37 -0.63 -0.69 0.00 0.00 174.62 173.66 2dwu s ILE 208 N 1.84 5.18 -0.18 1.82 1.01 -1.26 -0.90 121.20 128.70 2dwu s ILE 208 Ca 0.39 0.56 -0.15 0.00 0.00 0.00 0.00 60.65 61.45 2dwu s ILE 208 Cb -0.17 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2dwu s ILE 208 CO 0.15 0.16 0.37 -0.63 0.00 0.00 0.00 174.94 174.99 2dwu s ILE 209 N 2.04 5.23 -0.14 2.92 -1.09 0.39 -4.97 121.20 125.58 2dwu s ILE 209 Ca 0.15 0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 59.07 2dwu s ILE 209 Cb -0.16 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2dwu s ILE 209 CO 0.10 0.30 0.45 -0.55 -1.23 0.00 0.00 174.94 174.01 2dwu s SER 210 N 0.84 6.61 0.28 3.58 0.15 -1.26 -0.71 113.70 123.19 2dwu s SER 210 Ca 0.19 0.73 -0.03 0.00 0.70 0.00 0.00 55.95 57.54 2dwu s SER 210 Cb -0.14 -2.27 0.37 0.00 -1.71 0.00 0.00 66.02 62.27 2dwu s SER 210 CO 0.07 -0.01 1.87 0.28 1.20 0.00 0.00 173.24 176.65 2dwu h SER 211 N 6.84 0.91 -0.07 5.45 0.02 -1.89 -2.77 113.55 122.04 2dwu h SER 211 Ca -0.40 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2dwu h SER 211 Cb 1.17 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 2dwu h SER 211 CO 0.75 0.77 0.02 0.00 -1.14 0.00 0.00 176.83 177.24 2dwu h ALA 212 N 1.37 0.09 -0.88 3.77 0.00 -1.89 -0.97 119.26 120.74 2dwu h ALA 212 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dwu h ALA 212 Cb 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2dwu h ALA 212 CO -0.03 -0.31 0.56 1.49 0.00 0.00 0.00 179.25 180.95 2dwu h GLU 213 N -0.07 1.17 0.00 0.00 4.81 -1.86 -2.40 114.58 116.23 2dwu h GLU 213 Ca 0.02 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 2dwu h GLU 213 Cb 0.20 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2dwu h GLU 213 CO -0.00 0.80 -0.75 0.93 -0.73 0.00 0.00 179.01 179.25 2dwu h GLU 214 N 1.20 0.00 -0.07 1.92 4.39 -1.43 -3.15 114.58 117.43 2dwu h GLU 214 Ca 0.32 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.84 2dwu h GLU 214 Cb -0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2dwu h GLU 214 CO -0.06 0.75 -0.74 1.15 -1.16 0.00 0.00 179.01 178.95 2dwu h THR 215 N 0.00 1.39 -0.58 1.13 2.02 -0.96 -1.64 112.91 114.27 2dwu h THR 215 Ca -0.01 -2.17 -0.10 0.00 0.77 0.00 0.00 66.41 64.90 2dwu h THR 215 Cb 1.45 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.97 2dwu h THR 215 CO 0.10 0.65 -0.03 0.00 0.37 0.00 0.00 175.52 176.60 2dwu h ALA 216 N 0.95 0.83 -0.04 6.16 0.00 -1.47 -0.18 119.26 125.51 2dwu h ALA 216 Ca -0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2dwu h ALA 216 Cb 1.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dwu h ALA 216 CO 0.12 0.67 -0.59 0.97 0.00 0.00 0.00 179.25 180.43 2dwu h ILE 217 N 0.95 1.40 -0.37 0.00 2.10 -1.50 -0.50 117.51 119.59 2dwu h ILE 217 Ca 0.16 -1.97 -0.04 0.00 1.08 0.00 0.00 64.86 64.10 2dwu h ILE 217 Cb 0.59 2.02 -0.01 0.00 -1.09 0.00 0.00 36.82 38.33 2dwu h ILE 217 CO 0.04 0.57 0.09 -0.08 -1.08 0.00 0.00 178.15 177.69 2dwu h GLU 218 N 0.11 0.59 -0.43 2.19 4.57 -0.96 -0.91 114.58 119.74 2dwu h GLU 218 Ca -0.00 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2dwu h GLU 218 Cb 1.06 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 2dwu h GLU 218 CO 0.08 0.63 0.28 1.25 -1.18 0.00 0.00 179.01 180.08 2dwu h LEU 219 N 0.45 0.49 -0.51 1.64 5.85 -0.83 -1.82 115.31 120.57 2dwu h LEU 219 Ca 0.11 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2dwu h LEU 219 Cb 0.31 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2dwu h LEU 219 CO 0.00 0.35 0.19 -1.28 -0.34 0.00 0.00 178.44 177.36 2dwu h SER 220 N 0.58 0.20 -0.40 1.25 0.87 -0.78 0.11 113.55 115.37 2dwu h SER 220 Ca 0.16 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2dwu h SER 220 Cb -0.06 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2dwu h SER 220 CO -0.04 0.14 0.24 0.74 -0.53 0.00 0.00 176.83 177.38 2dwu h THR 221 N 0.37 1.04 -0.24 2.23 2.02 -0.84 -1.37 112.91 116.13 2dwu h THR 221 Ca 0.25 -0.16 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 2dwu h THR 221 Cb 0.26 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2dwu h THR 221 CO -0.24 0.09 -0.39 0.40 0.37 0.00 0.00 175.52 175.74 2dwu h ILE 222 N 0.48 1.31 -0.81 3.11 2.04 -0.82 -0.77 117.51 122.05 2dwu h ILE 222 Ca 0.16 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 2dwu h ILE 222 Cb 0.01 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2dwu h ILE 222 CO -0.07 0.50 0.41 -0.07 0.00 0.00 0.00 178.15 178.92 2dwu h LEU 223 N 0.39 1.05 -0.41 1.44 3.38 -0.66 -1.12 115.31 119.39 2dwu h LEU 223 Ca 0.02 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 2dwu h LEU 223 Cb 0.99 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2dwu h LEU 223 CO 0.09 0.87 -0.53 -0.61 0.09 0.00 0.00 178.44 178.35 2dwu h GLN 224 N 1.14 0.75 -0.89 1.13 4.15 -1.17 -1.05 115.11 119.17 2dwu h GLN 224 Ca 0.28 -0.46 0.05 0.00 0.77 0.00 0.00 58.65 59.29 2dwu h GLN 224 Cb 0.09 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.77 2dwu h GLN 224 CO -0.04 1.09 0.57 1.25 -1.93 0.00 0.00 178.83 179.76 2dwu h HIS 225 N 0.58 1.05 0.00 3.99 2.76 -0.82 -1.11 115.15 121.60 2dwu h HIS 225 Ca 0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2dwu h HIS 225 Cb 1.11 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2dwu h HIS 225 CO 0.06 0.56 0.00 1.63 -1.30 0.00 0.00 177.93 178.88 2dwu n LYS 226 N -4.57 0.09 -2.52 5.26 4.76 -0.45 -4.93 118.16 115.81 2dwu n LYS 226 Ca 0.13 0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.48 2dwu n LYS 226 Cb 0.15 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.85 2dwu n LYS 226 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dwu n GLY 227 N 1.36 0.11 0.60 0.72 0.00 -0.42 -4.96 105.19 102.59 2dwu n GLY 227 Ca 0.08 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2dwu n GLY 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dwu n ILE 228 N -3.85 1.77 -2.18 -0.61 -5.35 -0.48 -5.04 119.36 103.62 2dwu n ILE 228 Ca -0.06 -2.62 -0.39 0.00 -0.27 0.00 0.00 62.75 59.40 2dwu n ILE 228 Cb 0.56 -0.05 -0.01 0.00 -1.74 0.00 0.00 39.64 38.39 2dwu n ILE 228 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2dwu s LEU 229 N -2.62 4.25 0.63 7.28 1.43 -1.25 -4.96 118.68 123.45 2dwu s LEU 229 Ca 0.35 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.85 2dwu s LEU 229 Cb 0.34 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2dwu s LEU 229 CO -0.06 -0.70 1.04 0.00 0.23 0.00 0.00 176.35 176.85 2dwu s ALA 230 N -1.30 3.03 -0.05 4.21 0.00 -1.26 -5.00 121.76 121.39 2dwu s ALA 230 Ca 0.55 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.52 2dwu s ALA 230 Cb -0.35 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 19.78 2dwu s ALA 230 CO 0.45 -0.78 1.03 -0.40 0.00 0.00 0.00 175.76 176.05 2dwu n ASP 231 N -2.82 1.96 -4.64 0.00 3.85 -1.26 -4.83 116.55 108.80 2dwu n ASP 231 Ca 0.06 -2.35 -0.43 0.00 -0.71 0.00 0.00 54.79 51.37 2dwu n ASP 231 Cb 0.54 -0.17 -0.03 0.00 -1.35 0.00 0.00 41.12 40.12 2dwu n ASP 231 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 2dwu s ASN 232 N -1.64 6.37 0.30 -1.12 3.84 -1.25 -4.91 114.94 116.53 2dwu s ASN 232 Ca 0.12 2.03 0.13 0.00 0.21 0.00 0.00 52.86 55.34 2dwu s ASN 232 Cb 0.10 -2.53 0.45 0.00 -0.55 0.00 0.00 41.25 38.72 2dwu s ASN 232 CO 0.01 -1.20 1.65 -0.07 -2.79 0.00 0.00 177.10 174.69 2dwu h LEU 233 N 11.46 0.00 -6.10 3.21 -0.00 -1.91 -3.38 115.31 118.59 2dwu h LEU 233 Ca -0.39 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.92 2dwu h LEU 233 Cb 1.19 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 41.45 2dwu h LEU 233 CO 0.97 0.55 -1.04 -0.46 -0.00 0.00 0.00 178.44 178.46 2dwu n ASN 234 N -3.73 0.32 -4.79 -0.43 6.94 -1.26 -4.90 115.26 107.42 2dwu n ASN 234 Ca -0.01 -2.69 -0.30 0.00 -0.02 0.00 0.00 54.58 51.57 2dwu n ASN 234 Cb 0.59 -0.63 0.11 0.00 -2.36 0.00 0.00 39.78 37.49 2dwu n ASN 234 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2dwu s PRO 235 N -1.02 1.70 0.11 -0.53 0.04 -1.26 -5.08 135.00 128.96 2dwu s PRO 235 Ca 0.35 0.54 0.09 0.00 0.04 0.00 0.00 61.00 62.02 2dwu s PRO 235 Cb 0.14 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2dwu s PRO 235 CO -0.12 -1.86 -0.22 0.15 0.04 0.00 0.00 177.00 174.98 2dwu s LYS 236 N -5.17 1.19 0.13 4.56 1.02 -1.26 -5.06 119.74 115.16 2dwu s LYS 236 Ca 0.62 -1.21 0.09 0.00 0.02 0.00 0.00 55.97 55.49 2dwu s LYS 236 Cb -0.15 -1.51 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 2dwu s LYS 236 CO 0.54 0.35 -0.17 -1.01 -0.92 0.00 0.00 175.35 174.15 2dwu s HIS 237 N -1.15 2.55 -0.03 3.18 3.76 -1.26 -4.32 115.29 118.01 2dwu s HIS 237 Ca 0.08 -0.26 0.05 0.00 -0.15 0.00 0.00 55.06 54.79 2dwu s HIS 237 Cb -0.10 -1.33 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 2dwu s HIS 237 CO 0.05 0.42 -0.20 1.03 -0.85 0.00 0.00 174.74 175.19 2dwu s ARG 238 N -2.29 1.81 -0.01 1.40 1.81 -0.73 -4.60 118.95 116.34 2dwu s ARG 238 Ca 0.19 -0.70 0.07 0.00 -1.72 0.00 0.00 55.73 53.58 2dwu s ARG 238 Cb -0.10 -1.64 -0.02 0.00 -0.45 0.00 0.00 34.95 32.74 2dwu s ARG 238 CO 0.11 0.35 -0.23 -0.06 -0.68 0.00 0.00 175.30 174.80 2dwu s PHE 239 N -0.23 2.02 0.04 -0.53 0.08 -0.55 -0.75 117.98 118.05 2dwu s PHE 239 Ca 0.02 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.73 2dwu s PHE 239 Cb -0.10 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 2dwu s PHE 239 CO 0.01 -0.01 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.93 2dwu s PHE 240 N -0.57 1.07 0.02 0.36 0.08 0.81 -1.37 117.98 118.38 2dwu s PHE 240 Ca 0.09 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 2dwu s PHE 240 Cb -0.09 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.71 2dwu s PHE 240 CO -0.00 0.01 0.02 -0.08 -0.10 0.00 0.00 175.22 175.07 2dwu s THR 241 N -0.88 0.11 -1.27 0.64 -1.32 -0.44 -0.88 115.64 111.61 2dwu s THR 241 Ca -0.00 -0.91 0.24 0.00 -1.21 0.00 0.00 61.69 59.81 2dwu s THR 241 Cb -0.08 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.54 2dwu s THR 241 CO 0.01 -0.50 1.31 0.35 -2.21 0.00 0.00 174.62 173.58 2dwu n THR 242 N 1.46 0.00 -1.52 5.08 -2.24 -0.86 -1.54 114.28 114.67 2dwu n THR 242 Ca -0.23 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2dwu n THR 242 Cb 0.56 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2dwu n THR 242 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dwu n GLY 243 N 1.46 1.86 3.70 3.38 0.00 -1.26 -4.27 105.19 110.05 2dwu n GLY 243 Ca 0.07 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2dwu n GLY 243 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dwu s SER 244 N -1.00 6.59 0.10 1.61 0.15 -1.26 -4.90 113.70 114.99 2dwu s SER 244 Ca 0.00 2.53 -0.15 0.00 0.70 0.00 0.00 55.95 59.02 2dwu s SER 244 Cb 0.00 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.66 2dwu s SER 244 CO 0.00 -0.87 1.45 0.58 1.20 0.00 0.00 173.24 175.60 2dwu h VAL 245 N 4.60 1.30 -0.46 4.45 2.07 -1.94 -2.08 116.25 124.18 2dwu h VAL 245 Ca -0.43 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 2dwu h VAL 245 Cb 1.20 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2dwu h VAL 245 CO 0.93 0.42 0.04 0.77 0.02 0.00 0.00 177.57 179.75 2dwu h SER 246 N 0.41 0.68 -0.12 0.57 4.64 -1.97 -1.17 113.55 116.59 2dwu h SER 246 Ca 0.06 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2dwu h SER 246 Cb 0.73 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2dwu h SER 246 CO 0.05 0.73 0.05 -1.28 -0.87 0.00 0.00 176.83 175.50 2dwu h SER 247 N 0.69 0.16 -0.29 4.97 0.87 -1.93 -1.76 113.55 116.25 2dwu h SER 247 Ca 0.14 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2dwu h SER 247 Cb 0.36 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2dwu h SER 247 CO 0.01 0.28 0.19 0.15 -0.53 0.00 0.00 176.83 176.93 2dwu h PHE 248 N 0.03 0.38 -0.97 2.24 3.57 -1.13 -2.23 116.94 118.82 2dwu h PHE 248 Ca 0.04 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2dwu h PHE 248 Cb 0.17 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 2dwu h PHE 248 CO -0.02 0.25 0.63 0.93 -2.23 0.00 0.00 178.31 177.88 2dwu h GLU 249 N 0.39 1.14 -0.16 1.11 5.08 -1.12 -0.41 114.58 120.61 2dwu h GLU 249 Ca 0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2dwu h GLU 249 Cb -0.02 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2dwu h GLU 249 CO -0.02 0.75 0.00 1.25 -1.00 0.00 0.00 179.01 179.99 2dwu h HIS 250 N 1.17 0.31 -0.39 4.33 2.76 -1.05 -1.29 115.15 120.98 2dwu h HIS 250 Ca 0.41 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.48 2dwu h HIS 250 Cb 0.11 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2dwu h HIS 250 CO -0.01 0.50 0.08 0.82 -1.30 0.00 0.00 177.93 178.02 2dwu h ILE 251 N 0.03 1.23 -0.48 6.26 2.04 -1.20 -2.52 117.51 122.87 2dwu h ILE 251 Ca 0.05 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.14 2dwu h ILE 251 Cb 0.38 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 2dwu h ILE 251 CO 0.01 0.28 0.19 0.00 0.00 0.00 0.00 178.15 178.63 2dwu h ALA 252 N 0.93 0.59 -0.54 1.87 0.00 -1.04 0.12 119.26 121.19 2dwu h ALA 252 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2dwu h ALA 252 Cb 0.34 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2dwu h ALA 252 CO 0.00 -0.19 0.20 1.49 0.00 0.00 0.00 179.25 180.76 2dwu h GLU 253 N 0.38 0.79 -0.32 0.00 4.81 -1.14 0.20 114.58 119.31 2dwu h GLU 253 Ca 0.22 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2dwu h GLU 253 Cb 0.21 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2dwu h GLU 253 CO -0.21 0.66 -0.07 0.00 -0.73 0.00 0.00 179.01 178.66 2dwu h ARG 254 N 0.78 0.62 -0.07 1.92 3.08 -0.78 -0.26 114.38 119.67 2dwu h ARG 254 Ca 0.18 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 2dwu h ARG 254 Cb 0.18 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.20 2dwu h ARG 254 CO -0.01 0.79 -0.41 -1.49 -1.07 0.00 0.00 179.97 177.78 2dwu h TRP 255 N 0.39 0.55 0.02 3.04 4.06 -0.43 -3.35 115.95 120.22 2dwu h TRP 255 Ca 0.08 -0.25 -0.24 0.00 2.06 0.00 0.00 58.89 60.54 2dwu h TRP 255 Cb 0.56 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.61 2dwu h TRP 255 CO 0.05 1.01 -1.24 -0.07 -3.56 0.00 0.00 178.44 174.63 2dwu h LEU 256 N -0.07 0.07 0.00 -4.49 3.38 -0.70 -3.48 115.31 110.01 2dwu h LEU 256 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2dwu h LEU 256 Cb 1.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2dwu h LEU 256 CO 0.08 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.29 2dwu n GLY 257 N 1.44 0.70 3.57 0.83 0.00 -0.11 -5.04 105.19 106.58 2dwu n GLY 257 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2dwu n GLY 257 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dwu s TYR 258 N -2.36 -0.12 0.27 1.61 -0.85 -1.23 -5.03 117.35 109.65 2dwu s TYR 258 Ca 0.00 -0.23 -0.19 0.00 -0.52 0.00 0.00 57.07 56.13 2dwu s TYR 258 Cb 0.00 0.44 -0.09 0.00 0.38 0.00 0.00 41.96 42.69 2dwu s TYR 258 CO 0.00 -0.97 0.76 -0.65 -1.52 0.00 0.00 175.55 173.18 2dwu s GLN 259 N -3.88 4.21 0.32 -3.49 -0.21 -1.26 -3.96 119.66 111.39 2dwu s GLN 259 Ca 0.10 0.87 0.05 0.00 0.02 0.00 0.00 55.36 56.40 2dwu s GLN 259 Cb -0.02 -2.70 -0.06 0.00 1.00 0.00 0.00 33.01 31.23 2dwu s GLN 259 CO -0.01 0.29 0.00 0.96 -2.12 0.00 0.00 175.29 174.41 2dwu s ILE 260 N -1.71 1.49 -0.34 1.08 -4.36 -1.26 -5.06 121.20 111.04 2dwu s ILE 260 Ca 0.48 -2.05 -0.27 0.00 -0.26 0.00 0.00 60.65 58.56 2dwu s ILE 260 Cb -0.14 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.89 2dwu s ILE 260 CO 0.20 -0.12 0.96 -0.44 0.24 0.00 0.00 174.94 175.77 2dwu s SER 261 N -3.50 6.77 -0.07 4.36 0.01 -1.26 -5.02 113.70 114.99 2dwu s SER 261 Ca 0.33 0.77 0.04 0.00 1.31 0.00 0.00 55.95 58.40 2dwu s SER 261 Cb 0.07 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2dwu s SER 261 CO 0.14 -0.83 -0.17 -0.69 0.41 0.00 0.00 173.24 172.10 2dwu s VAL 262 N 3.46 1.49 0.13 3.43 1.01 -1.26 -1.49 120.40 127.18 2dwu s VAL 262 Ca 0.40 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2dwu s VAL 262 Cb -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2dwu s VAL 262 CO 0.17 0.43 -0.13 -1.81 0.00 0.00 0.00 175.10 173.76 2dwu s ASP 263 N 0.34 1.97 0.35 3.32 1.11 -0.47 -5.01 116.67 118.26 2dwu s ASP 263 Ca -0.11 -0.88 -0.12 0.00 0.18 0.00 0.00 52.55 51.62 2dwu s ASP 263 Cb -0.15 -0.06 -0.07 0.00 1.07 0.00 0.00 42.92 43.71 2dwu s ASP 263 CO 0.04 -0.20 0.71 0.00 1.18 0.00 0.00 175.17 176.91 2dwu s VAL 265 N -2.14 0.05 -0.13 0.00 0.11 -0.59 -4.83 120.40 112.87 2dwu s VAL 265 Ca 0.51 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 2dwu s VAL 265 Cb -0.10 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2dwu s VAL 265 CO 0.25 -0.23 -0.10 -1.81 -3.33 0.00 0.00 175.10 169.88 2dwu s ASP 266 N -1.00 4.29 0.02 3.54 -0.00 -1.26 -4.23 116.67 118.02 2dwu s ASP 266 Ca -0.11 -0.24 0.06 0.00 -0.00 0.00 0.00 52.55 52.27 2dwu s ASP 266 Cb -0.05 -1.60 -0.03 0.00 -0.00 0.00 0.00 42.92 41.24 2dwu s ASP 266 CO 0.03 0.19 -0.18 -0.76 -0.00 0.00 0.00 175.17 174.45 2dwu s LEU 267 N 0.23 2.59 0.55 1.23 1.43 -1.26 -3.81 118.68 119.64 2dwu s LEU 267 Ca -0.06 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 2dwu s LEU 267 Cb -0.15 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 2dwu s LEU 267 CO 0.04 0.28 1.06 -2.16 0.23 0.00 0.00 176.35 175.80 2dwu s PRO 268 N -1.22 3.49 0.58 1.29 0.04 -1.26 -5.12 135.00 132.80 2dwu s PRO 268 Ca 0.14 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 2dwu s PRO 268 Cb -0.10 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2dwu s PRO 268 CO 0.04 -0.68 1.30 0.08 0.04 0.00 0.00 177.00 177.77 2dwu s VAL 269 N -2.18 2.24 0.00 -0.36 1.01 -1.25 -5.16 120.40 114.71 2dwu s VAL 269 Ca 0.66 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2dwu s VAL 269 Cb -0.17 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2dwu s VAL 269 CO 0.29 -0.02 0.00 2.29 0.00 0.00 0.00 175.10 177.66