#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwu n LYS 6 N 0.00 0.00 -0.14 1.57 3.00 -1.26 -4.91 118.16 116.42 2dwu n LYS 6 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 2dwu n LYS 6 Cb 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 35.03 34.83 2dwu n LYS 6 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2dwu n HIS 7 N 1.75 0.33 -2.29 5.64 8.25 -1.26 -4.90 115.22 122.74 2dwu n HIS 7 Ca 0.00 -0.58 -0.37 0.00 -0.26 0.00 0.00 57.72 56.51 2dwu n HIS 7 Cb 0.00 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.24 6.13 0.35 0.41 0.01 -1.26 -4.89 113.70 113.21 2dwu s SER 8 Ca 0.18 2.25 0.09 0.00 1.31 0.00 0.00 55.95 59.78 2dwu s SER 8 Cb 0.12 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2dwu s SER 8 CO 0.09 -0.94 0.04 0.68 0.41 0.00 0.00 173.24 173.52 2dwu s VAL 9 N -1.61 2.60 -0.35 3.43 -7.23 0.44 -4.66 120.40 113.03 2dwu s VAL 9 Ca 0.65 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 2dwu s VAL 9 Cb -0.27 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 2dwu s VAL 9 CO 0.32 -0.17 0.44 -0.63 -0.31 0.00 0.00 175.10 174.76 2dwu s ILE 10 N -2.53 5.09 0.17 -0.62 -1.09 0.54 -0.92 121.20 121.84 2dwu s ILE 10 Ca 0.36 0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 58.69 2dwu s ILE 10 Cb 0.01 -3.90 -0.07 0.00 -1.58 0.00 0.00 42.46 36.92 2dwu s ILE 10 CO 0.20 -0.15 0.90 -0.83 -1.23 0.00 0.00 174.94 173.83 2dwu s GLY 11 N 1.74 3.02 -0.07 6.18 0.00 -0.37 -1.47 107.32 116.35 2dwu s GLY 11 Ca 0.15 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.41 2dwu s GLY 11 CO 0.12 1.21 -0.06 0.14 0.00 0.00 0.00 173.10 174.51 2dwu s VAL 12 N -0.68 0.78 0.10 1.40 1.01 -0.33 -0.41 120.40 122.27 2dwu s VAL 12 Ca 0.42 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.29 2dwu s VAL 12 Cb -0.24 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2dwu s VAL 12 CO 0.29 0.30 -0.26 -1.48 0.00 0.00 0.00 175.10 173.95 2dwu s LEU 13 N 1.22 2.27 0.21 3.92 0.05 -0.55 -1.03 118.68 124.76 2dwu s LEU 13 Ca -0.05 -0.69 -0.15 0.00 0.05 0.00 0.00 54.13 53.28 2dwu s LEU 13 Cb -0.14 -1.19 0.01 0.00 -2.05 0.00 0.00 46.19 42.83 2dwu s LEU 13 CO -0.02 0.19 0.49 -0.62 -0.55 0.00 0.00 176.35 175.84 2dwu s ASP 14 N -1.78 -0.17 0.35 1.48 2.15 -0.58 -1.12 116.67 116.99 2dwu s ASP 14 Ca 0.12 -0.66 0.27 0.00 0.43 0.00 0.00 52.55 52.71 2dwu s ASP 14 Cb -0.10 0.57 0.96 0.00 -0.30 0.00 0.00 42.92 44.05 2dwu s ASP 14 CO 0.05 -1.07 1.78 0.77 -0.17 0.00 0.00 175.17 176.53 2dwu h SER 15 N 2.25 0.00 0.00 -0.34 4.64 -1.90 -1.96 113.55 116.24 2dwu h SER 15 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2dwu h SER 15 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dwu h SER 15 CO 0.37 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 2dwu n GLY 16 N 0.46 0.69 0.02 -0.77 0.00 -1.26 -2.35 105.19 101.97 2dwu n GLY 16 Ca 0.03 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 0.09 -0.32 1.61 3.14 -1.26 -4.37 118.33 117.22 2dwu n VAL 17 Ca 0.00 -0.27 0.07 0.00 -2.96 0.00 0.00 64.34 61.18 2dwu n VAL 17 Cb 0.00 0.33 0.23 0.00 -1.06 0.00 0.00 33.84 33.34 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 4.47 1.49 1.77 7.55 0.00 -1.95 -1.36 103.07 115.05 2dwu h GLY 18 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2dwu h GLY 18 CO 0.00 0.04 0.05 0.61 0.00 0.00 0.00 176.54 177.24 2dwu n GLY 19 N -1.33 -0.44 0.29 4.60 0.00 -1.26 -1.47 105.19 105.58 2dwu n GLY 19 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.88 0.99 3.38 -1.55 -0.28 115.31 116.97 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 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2dwu h LEU 20 CO 0.00 0.05 -0.02 0.71 0.09 0.00 0.00 178.44 179.27 2dwu h THR 21 N 0.00 1.25 -0.10 0.22 1.35 -1.49 -0.17 112.91 113.96 2dwu h THR 21 Ca -0.00 -1.04 -0.15 0.00 -0.55 0.00 0.00 66.41 64.67 2dwu h THR 21 Cb 0.19 0.90 0.01 0.00 -1.73 0.00 0.00 68.15 67.52 2dwu h THR 21 CO 0.01 0.37 -0.51 0.58 -0.25 0.00 0.00 175.52 175.71 2dwu h VAL 22 N 0.75 1.36 -0.76 6.82 2.07 -1.45 -2.83 116.25 122.22 2dwu h VAL 22 Ca 0.14 -1.83 0.02 0.00 0.82 0.00 0.00 66.70 65.85 2dwu h VAL 22 Cb 0.48 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 2dwu h VAL 22 CO 0.02 0.55 0.49 0.00 0.02 0.00 0.00 177.57 178.65 2dwu h ALA 23 N 0.48 0.97 -0.95 1.67 0.00 -0.94 -1.71 119.26 118.78 2dwu h ALA 23 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2dwu h ALA 23 Cb 1.15 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2dwu h ALA 23 CO 0.11 0.33 0.62 1.03 0.00 0.00 0.00 179.25 181.33 2dwu h SER 24 N 0.98 1.04 0.12 0.00 0.87 -1.00 -0.56 113.55 115.00 2dwu h SER 24 Ca 0.29 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.70 2dwu h SER 24 Cb -0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 2dwu h SER 24 CO -0.08 0.72 -0.50 -0.33 -0.53 0.00 0.00 176.83 176.11 2dwu h GLU 25 N 1.22 0.43 -0.35 2.24 4.39 -1.16 -1.56 114.58 119.80 2dwu h GLU 25 Ca 0.37 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 2dwu h GLU 25 Cb -0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2dwu h GLU 25 CO -0.11 0.83 -0.11 0.82 -1.16 0.00 0.00 179.01 179.28 2dwu h ILE 26 N 0.34 1.28 -0.65 3.13 2.04 -0.85 -0.57 117.51 122.23 2dwu h ILE 26 Ca 0.01 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2dwu h ILE 26 Cb 1.00 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 2dwu h ILE 26 CO 0.09 0.39 0.37 0.40 0.00 0.00 0.00 178.15 179.39 2dwu h ILE 27 N 0.47 1.19 -0.01 -0.67 2.04 -1.01 0.13 117.51 119.66 2dwu h ILE 27 Ca 0.08 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 2dwu h ILE 27 Cb 0.62 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2dwu h ILE 27 CO 0.04 0.21 -0.39 -0.09 0.00 0.00 0.00 178.15 177.92 2dwu h ARG 28 N 0.90 0.28 0.00 2.37 2.43 -1.06 -3.13 114.38 116.17 2dwu h ARG 28 Ca 0.23 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2dwu h ARG 28 Cb 0.01 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2dwu h ARG 28 CO -0.04 0.99 -0.65 1.96 -1.51 0.00 0.00 179.97 180.72 2dwu h GLN 29 N -0.32 0.00 -2.10 0.20 4.20 -1.05 -3.37 115.11 112.68 2dwu h GLN 29 Ca -0.05 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.12 2dwu h GLN 29 Cb 1.12 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.49 2dwu h GLN 29 CO 0.08 0.00 -0.95 1.28 -0.67 0.00 0.00 178.83 178.57 2dwu n LEU 30 N -2.51 1.95 0.00 1.46 4.77 0.46 -4.95 117.00 118.18 2dwu n LEU 30 Ca 0.02 -5.14 0.02 0.00 -0.03 0.00 0.00 56.01 50.88 2dwu n LEU 30 Cb 0.50 0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.85 2dwu n LEU 30 CO 0.37 2.20 0.53 -0.81 -1.33 0.00 0.00 177.39 178.36 2dwu n PRO 31 N 0.58 0.02 0.00 3.23 -0.04 -1.18 -1.70 135.00 135.91 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 32.55 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 -1.43 0.37 -2.87 0.54 5.02 -1.26 -4.57 118.16 113.95 2dwu n LYS 32 Ca 0.01 -0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 55.72 2dwu n LYS 32 Cb 0.04 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.82 3.79 -0.16 1.97 0.41 -0.69 -3.97 118.70 117.23 2dwu s GLU 33 Ca 0.13 0.48 -0.03 0.00 -0.41 0.00 0.00 54.97 55.14 2dwu s GLU 33 Cb 0.17 -2.39 -0.02 0.00 -1.78 0.00 0.00 34.13 30.10 2dwu s GLU 33 CO 0.72 -0.02 -0.04 -1.12 -0.49 0.00 0.00 175.26 174.30 2dwu s SER 34 N -3.10 4.69 -0.00 -0.19 0.01 -1.26 -4.82 113.70 109.02 2dwu s SER 34 Ca 0.51 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2dwu s SER 34 Cb -0.10 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2dwu s SER 34 CO 0.30 0.15 0.05 -0.63 0.41 0.00 0.00 173.24 173.53 2dwu s ILE 35 N 0.46 4.51 -0.28 1.44 1.09 -1.26 -0.34 121.20 126.83 2dwu s ILE 35 Ca -0.04 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.03 2dwu s ILE 35 Cb -0.14 -3.04 0.08 0.00 -1.06 0.00 0.00 42.46 38.29 2dwu s ILE 35 CO 0.03 0.36 0.03 0.00 -0.10 0.00 0.00 174.94 175.26 2dwu s TYR 37 N 1.44 3.24 -0.06 0.00 5.04 -0.19 -1.18 117.35 125.65 2dwu s TYR 37 Ca 0.04 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.91 2dwu s TYR 37 Cb -0.18 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.30 2dwu s TYR 37 CO -0.14 0.48 -0.08 -1.50 -1.34 0.00 0.00 175.55 172.96 2dwu s ILE 38 N -0.77 0.85 -0.13 3.14 2.07 -0.20 0.15 121.20 126.31 2dwu s ILE 38 Ca 0.12 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 2dwu s ILE 38 Cb -0.12 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.65 2dwu s ILE 38 CO 0.02 0.30 -0.20 -0.83 -1.91 0.00 0.00 174.94 172.32 2dwu s GLY 39 N 0.83 1.41 -0.84 1.50 0.00 -0.01 -1.53 107.32 108.68 2dwu s GLY 39 Ca -0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 2dwu s GLY 39 CO 0.02 -0.13 2.71 1.34 0.00 0.00 0.00 173.10 177.04 2dwu n ASP 40 N 3.82 7.15 -0.13 1.64 2.03 -0.73 -1.98 116.55 128.35 2dwu n ASP 40 Ca -0.19 -3.07 0.22 0.00 0.52 0.00 0.00 54.79 52.27 2dwu n ASP 40 Cb 0.52 -1.32 0.64 0.00 -0.72 0.00 0.00 41.12 40.24 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 3.78 0.13 0.16 1.67 4.21 -1.78 -0.28 115.58 123.47 2dwu h ASN 41 Ca 0.53 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 58.04 2dwu h ASN 41 Cb 0.60 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 2dwu h ASN 41 CO 1.12 0.06 -0.05 -0.08 -1.29 0.00 0.00 177.43 177.19 2dwu h GLU 42 N 0.14 0.00 -0.11 0.81 4.81 -1.85 -2.68 114.58 115.70 2dwu h GLU 42 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 2dwu h GLU 42 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2dwu h GLU 42 CO -0.05 0.05 0.00 0.54 -0.73 0.00 0.00 179.01 178.81 2dwu n ARG 43 N -3.70 2.66 -2.60 1.92 1.74 -0.14 -5.00 116.66 111.54 2dwu n ARG 43 Ca -0.02 -1.94 -0.39 0.00 -0.77 0.00 0.00 57.85 54.72 2dwu n ARG 43 Cb 0.14 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.70 3.88 0.12 0.00 0.04 -1.26 -5.02 135.00 131.06 2dwu s PRO 45 Ca 0.47 0.55 0.19 0.00 0.04 0.00 0.00 61.00 62.26 2dwu s PRO 45 Cb -0.26 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 2dwu s PRO 45 CO 0.33 0.06 0.92 0.66 0.04 0.00 0.00 177.00 179.02 2dwu n TYR 46 N -0.83 0.97 -0.27 0.56 4.02 -1.26 -4.51 117.16 115.84 2dwu n TYR 46 Ca 0.03 0.30 0.07 0.00 -0.01 0.00 0.00 57.90 58.29 2dwu n TYR 46 Cb 0.54 -1.03 0.18 0.00 -0.02 0.00 0.00 39.34 39.01 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 3.85 0.93 -0.16 2.72 0.00 -1.96 -0.77 103.07 107.68 2dwu h GLY 47 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2dwu h GLY 47 CO 0.02 -0.31 -0.15 -1.55 0.00 0.00 0.00 176.54 174.55 2dwu n PRO 48 N -5.35 1.24 -1.54 4.80 -0.04 -1.26 -1.76 135.00 131.09 2dwu n PRO 48 Ca 0.15 -0.75 -0.31 0.00 -0.04 0.00 0.00 63.50 62.55 2dwu n PRO 48 Cb 0.52 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.27 2.87 0.64 0.54 0.52 -0.30 -4.99 118.95 115.96 2dwu s ARG 49 Ca 0.30 0.98 -0.16 0.00 -0.52 0.00 0.00 55.73 56.34 2dwu s ARG 49 Cb 0.20 -1.98 -0.01 0.00 0.52 0.00 0.00 34.95 33.68 2dwu s ARG 49 CO 0.44 -1.15 1.11 -1.54 0.02 0.00 0.00 175.30 174.17 2dwu s SER 50 N -3.73 5.23 0.19 0.23 1.04 -1.26 -4.87 113.70 110.53 2dwu s SER 50 Ca 0.58 2.01 -0.13 0.00 0.48 0.00 0.00 55.95 58.90 2dwu s SER 50 Cb -0.14 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.52 2dwu s SER 50 CO 0.55 -1.55 1.85 0.58 0.98 0.00 0.00 173.24 175.66 2dwu h VAL 51 N 0.22 1.15 -0.93 5.02 2.07 -1.96 -1.21 116.25 120.61 2dwu h VAL 51 Ca -0.47 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2dwu h VAL 51 Cb 1.25 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2dwu h VAL 51 CO 0.55 0.15 0.58 -0.33 0.02 0.00 0.00 177.57 178.54 2dwu h GLU 52 N 0.83 1.25 -0.21 1.57 3.07 -1.95 -0.14 114.58 119.01 2dwu h GLU 52 Ca 0.23 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.95 2dwu h GLU 52 Cb -0.09 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.54 2dwu h GLU 52 CO -0.05 0.86 -0.02 1.49 -1.40 0.00 0.00 179.01 179.90 2dwu h GLU 53 N 1.28 0.38 -0.62 2.33 4.81 -1.84 -2.06 114.58 118.85 2dwu h GLU 53 Ca 0.34 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2dwu h GLU 53 Cb -0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2dwu h GLU 53 CO -0.07 0.59 0.41 0.28 -0.73 0.00 0.00 179.01 179.49 2dwu h VAL 54 N 0.12 1.14 -0.70 0.32 2.07 -0.87 -1.27 116.25 117.07 2dwu h VAL 54 Ca 0.06 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2dwu h VAL 54 Cb 0.43 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2dwu h VAL 54 CO 0.01 0.15 0.43 1.56 0.02 0.00 0.00 177.57 179.74 2dwu h GLN 55 N 0.82 0.80 -0.57 1.57 4.20 -0.92 -0.52 115.11 120.49 2dwu h GLN 55 Ca 0.23 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2dwu h GLN 55 Cb -0.07 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 2dwu h GLN 55 CO -0.06 0.53 0.26 0.66 -0.67 0.00 0.00 178.83 179.54 2dwu h SER 56 N 0.82 0.76 -0.40 1.46 4.64 -0.73 -1.36 113.55 118.73 2dwu h SER 56 Ca 0.29 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2dwu h SER 56 Cb 0.07 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2dwu h SER 56 CO -0.13 0.69 0.01 -0.26 -0.87 0.00 0.00 176.83 176.27 2dwu h PHE 57 N 0.78 0.84 -0.31 4.77 0.04 -0.74 -2.12 116.94 120.21 2dwu h PHE 57 Ca 0.19 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 2dwu h PHE 57 Cb 0.15 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2dwu h PHE 57 CO 0.00 0.78 -0.11 0.28 -0.60 0.00 0.00 178.31 178.66 2dwu h VAL 58 N 0.74 1.29 0.00 -0.55 2.07 -0.80 -1.92 116.25 117.07 2dwu h VAL 58 Ca 0.15 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2dwu h VAL 58 Cb 0.44 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2dwu h VAL 58 CO 0.02 0.38 -0.15 -0.26 0.02 0.00 0.00 177.57 177.58 2dwu h PHE 59 N 0.38 0.00 -0.50 1.57 0.04 -1.09 0.24 116.94 117.57 2dwu h PHE 59 Ca 0.07 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 2dwu h PHE 59 Cb 0.62 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 2dwu h PHE 59 CO 0.06 0.15 -0.16 0.93 -0.60 0.00 0.00 178.31 178.69 2dwu h GLU 60 N 0.00 0.99 -0.40 1.51 5.08 -1.01 -1.72 114.58 119.03 2dwu h GLU 60 Ca -0.00 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.88 2dwu h GLU 60 Cb 0.29 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2dwu h GLU 60 CO 0.02 1.06 -0.13 0.52 -1.00 0.00 0.00 179.01 179.49 2dwu h MET 61 N 0.87 0.72 -0.62 2.33 2.86 -0.42 -2.40 114.93 118.26 2dwu h MET 61 Ca 0.13 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2dwu h MET 61 Cb 0.72 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 2dwu h MET 61 CO 0.06 0.82 0.11 0.28 1.06 0.00 0.00 176.91 179.23 2dwu h VAL 62 N 0.65 1.25 -0.82 -2.22 2.07 -0.81 -0.36 116.25 116.02 2dwu h VAL 62 Ca 0.11 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2dwu h VAL 62 Cb 0.59 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2dwu h VAL 62 CO 0.04 0.36 0.51 -0.33 0.02 0.00 0.00 177.57 178.17 2dwu h GLU 63 N 0.95 1.10 -0.07 1.57 4.39 -0.99 -0.08 114.58 121.45 2dwu h GLU 63 Ca 0.19 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2dwu h GLU 63 Cb 0.39 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2dwu h GLU 63 CO 0.01 0.75 -0.01 0.35 -1.16 0.00 0.00 179.01 178.95 2dwu h PHE 64 N 1.12 0.15 0.00 4.33 3.57 -0.92 -3.10 116.94 122.09 2dwu h PHE 64 Ca 0.30 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2dwu h PHE 64 Cb -0.08 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 2dwu h PHE 64 CO 0.00 0.43 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.32 2dwu h LEU 65 N -0.17 0.00 0.00 0.59 3.38 -0.62 -2.59 115.31 115.90 2dwu h LEU 65 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dwu h LEU 65 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dwu h LEU 65 CO 0.01 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.94 2dwu n LYS 66 N -3.72 0.09 0.08 1.13 5.02 -0.08 -1.37 118.16 119.31 2dwu n LYS 66 Ca -0.02 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2dwu n LYS 66 Cb 0.23 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.38 0.15 -4.18 1.97 6.02 -0.98 -4.77 117.38 114.22 2dwu n GLN 67 Ca 0.04 0.26 -0.23 0.00 -0.01 0.00 0.00 57.00 57.06 2dwu n GLN 67 Cb 0.11 -1.73 -0.06 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 2.96 -1.13 1.08 0.08 -0.47 -5.04 117.98 112.31 2dwu s PHE 68 Ca 0.08 -0.14 -0.21 0.00 0.12 0.00 0.00 56.93 56.78 2dwu s PHE 68 Cb 0.12 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2dwu s PHE 68 CO 0.46 0.55 1.74 -1.25 -0.10 0.00 0.00 175.22 176.62 2dwu s PRO 69 N -3.67 3.30 0.04 0.24 0.04 -1.26 -4.97 135.00 128.73 2dwu s PRO 69 Ca 0.32 -1.29 -0.30 0.00 0.04 0.00 0.00 61.00 59.77 2dwu s PRO 69 Cb -0.08 -5.34 -0.04 0.00 0.04 0.00 0.00 34.50 29.08 2dwu s PRO 69 CO 0.23 -2.82 0.98 -0.51 0.04 0.00 0.00 177.00 174.92 2dwu s LEU 70 N 6.95 4.41 -0.03 -3.56 1.43 -1.26 -0.42 118.68 126.21 2dwu s LEU 70 Ca 0.58 1.72 0.21 0.00 -1.03 0.00 0.00 54.13 55.61 2dwu s LEU 70 Cb 0.00 -3.58 -0.27 0.00 0.03 0.00 0.00 46.19 42.37 2dwu s LEU 70 CO 0.03 -0.20 0.49 2.29 0.23 0.00 0.00 176.35 179.19 2dwu n LYS 71 N 3.52 0.66 -3.48 1.70 2.85 -0.10 -4.84 118.16 118.47 2dwu n LYS 71 Ca 0.05 -0.10 -0.10 0.00 -1.05 0.00 0.00 58.31 57.11 2dwu n LYS 71 Cb 0.50 -1.58 -0.02 0.00 -0.65 0.00 0.00 35.03 33.29 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 -3.26 -1.67 -0.06 0.58 0.00 -1.25 -4.20 121.76 111.90 2dwu s ALA 72 Ca -0.07 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2dwu s ALA 72 Cb 0.12 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2dwu s ALA 72 CO 0.87 -0.76 -0.15 -1.17 0.00 0.00 0.00 175.76 174.55 2dwu s LEU 73 N -2.66 1.80 -0.18 0.00 2.96 -0.47 -1.24 118.68 118.90 2dwu s LEU 73 Ca 0.03 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2dwu s LEU 73 Cb -0.01 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 2dwu s LEU 73 CO -0.10 0.09 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.24 2dwu s VAL 74 N 0.36 3.17 -0.67 1.68 1.01 0.45 -0.44 120.40 125.96 2dwu s VAL 74 Ca -0.10 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 2dwu s VAL 74 Cb -0.14 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 33.97 2dwu s VAL 74 CO 0.03 0.48 0.80 -0.69 0.00 0.00 0.00 175.10 175.72 2dwu s VAL 75 N 0.94 4.84 -0.06 2.92 1.01 0.02 -1.49 120.40 128.57 2dwu s VAL 75 Ca -0.02 -1.17 0.25 0.00 0.00 0.00 0.00 61.98 61.04 2dwu s VAL 75 Cb -0.15 -4.55 0.27 0.00 0.00 0.00 0.00 36.38 31.95 2dwu s VAL 75 CO -0.00 -1.21 1.75 0.00 0.00 0.00 0.00 175.10 175.64 2dwu h ALA 76 N 9.03 0.95 -2.49 5.51 0.00 -1.41 -2.97 119.26 127.88 2dwu h ALA 76 Ca -0.19 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 53.99 2dwu h ALA 76 Cb 1.07 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2dwu h ALA 76 CO 1.08 0.20 0.26 0.00 0.00 0.00 0.00 179.25 180.79 2dwu h ASN 78 N 7.30 0.65 -0.39 0.00 2.35 -1.85 0.23 115.58 123.88 2dwu h ASN 78 Ca -0.32 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.20 2dwu h ASN 78 Cb 1.14 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2dwu h ASN 78 CO 0.80 0.78 0.03 0.74 -1.65 0.00 0.00 177.43 178.13 2dwu h THR 79 N 0.62 1.25 -0.51 2.81 2.02 -1.92 -0.92 112.91 116.26 2dwu h THR 79 Ca 0.11 -0.95 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 2dwu h THR 79 Cb 0.52 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2dwu h THR 79 CO 0.03 0.32 -0.11 0.00 0.37 0.00 0.00 175.52 176.13 2dwu h ALA 80 N 0.90 0.69 -0.62 6.16 0.00 -1.89 -2.37 119.26 122.13 2dwu h ALA 80 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2dwu h ALA 80 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2dwu h ALA 80 CO 0.02 0.60 0.32 0.00 0.00 0.00 0.00 179.25 180.18 2dwu h ALA 81 N 0.90 0.80 -0.91 0.00 0.00 -0.80 0.12 119.26 119.38 2dwu h ALA 81 Ca 0.13 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2dwu h ALA 81 Cb 0.67 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2dwu h ALA 81 CO 0.05 0.35 0.59 0.00 0.00 0.00 0.00 179.25 180.24 2dwu h ALA 82 N 1.14 1.19 0.03 0.00 0.00 -1.04 -1.18 119.26 119.40 2dwu h ALA 82 Ca 0.22 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 2dwu h ALA 82 Cb 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2dwu h ALA 82 CO -0.03 0.46 -1.23 0.00 0.00 0.00 0.00 179.25 178.46 2dwu h ALA 83 N 1.37 0.39 0.00 0.00 0.00 -1.08 -3.42 119.26 116.52 2dwu h ALA 83 Ca 0.36 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2dwu h ALA 83 Cb -0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dwu h ALA 83 CO -0.11 1.26 0.00 2.41 0.00 0.00 0.00 179.25 182.81 2dwu n THR 84 N -3.33 0.00 -0.05 0.00 -1.04 0.38 -4.82 114.28 105.42 2dwu n THR 84 Ca -0.06 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.05 61.51 2dwu n THR 84 Cb 0.98 1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 70.69 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 -0.03 -0.42 -4.42 5.85 -1.35 -1.65 115.31 113.28 2dwu h LEU 85 Ca 0.00 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2dwu h LEU 85 Cb 0.11 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2dwu h LEU 85 CO 0.00 0.01 0.26 0.00 -0.34 0.00 0.00 178.44 178.37 2dwu h ALA 86 N 1.17 0.54 -0.83 1.25 0.00 -1.89 -1.11 119.26 118.38 2dwu h ALA 86 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dwu h ALA 86 Cb 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2dwu h ALA 86 CO -0.15 -0.06 0.51 0.00 0.00 0.00 0.00 179.25 179.55 2dwu h ALA 87 N 1.18 1.05 -0.36 0.00 0.00 -1.85 -1.97 119.26 117.32 2dwu h ALA 87 Ca 0.17 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2dwu h ALA 87 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2dwu h ALA 87 CO -0.07 0.50 -0.06 -0.07 0.00 0.00 0.00 179.25 179.55 2dwu h LEU 88 N 1.13 0.68 -1.32 0.00 3.38 -0.87 -1.00 115.31 117.31 2dwu h LEU 88 Ca 0.30 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2dwu h LEU 88 Cb -0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2dwu h LEU 88 CO -0.06 0.87 0.05 1.56 0.09 0.00 0.00 178.44 180.94 2dwu h GLN 89 N 0.47 0.51 0.05 1.13 4.20 -1.04 0.17 115.11 120.60 2dwu h GLN 89 Ca 0.09 -0.09 -0.27 0.00 0.06 0.00 0.00 58.65 58.45 2dwu h GLN 89 Cb 0.56 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.27 2dwu h GLN 89 CO 0.03 0.50 -1.10 1.49 -0.67 0.00 0.00 178.83 179.08 2dwu h GLU 90 N 0.49 0.55 0.05 1.46 4.57 -1.24 -3.35 114.58 117.11 2dwu h GLU 90 Ca 0.11 -0.66 -0.25 0.00 -1.18 0.00 0.00 59.36 57.39 2dwu h GLU 90 Cb 0.25 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2dwu h GLU 90 CO 0.00 1.27 -1.06 0.00 -1.18 0.00 0.00 179.01 178.04 2dwu h ALA 91 N 0.49 0.26 -2.56 2.92 0.00 -0.79 -3.46 119.26 116.12 2dwu h ALA 91 Ca -0.13 -0.78 -0.54 0.00 0.00 0.00 0.00 54.91 53.46 2dwu h ALA 91 Cb 1.76 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 2dwu h ALA 91 CO 0.20 0.87 -0.27 -0.51 0.00 0.00 0.00 179.25 179.54 2dwu s LEU 92 N -7.51 4.20 0.11 0.00 1.43 0.01 -5.01 118.68 111.90 2dwu s LEU 92 Ca -0.05 0.55 0.22 0.00 -1.03 0.00 0.00 54.13 53.82 2dwu s LEU 92 Cb 0.08 -3.31 -0.13 0.00 0.03 0.00 0.00 46.19 42.85 2dwu s LEU 92 CO 0.87 -0.05 0.82 -1.20 0.23 0.00 0.00 176.35 177.02 2dwu n SER 93 N -0.49 0.51 -4.89 2.29 7.64 -1.26 -4.83 113.62 112.59 2dwu n SER 93 Ca -0.03 0.19 -0.29 0.00 1.01 0.00 0.00 58.87 59.75 2dwu n SER 93 Cb 0.53 1.06 0.02 0.00 -1.01 0.00 0.00 64.21 64.81 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 -3.42 4.30 0.26 0.44 -4.36 -1.26 -5.01 121.20 112.15 2dwu s ILE 94 Ca -0.03 0.40 -0.30 0.00 -0.26 0.00 0.00 60.65 60.46 2dwu s ILE 94 Cb 0.11 -3.70 -0.10 0.00 1.25 0.00 0.00 42.46 40.02 2dwu s ILE 94 CO 0.84 -0.81 1.45 -2.84 0.24 0.00 0.00 174.94 173.82 2dwu s PRO 95 N -5.04 4.25 -0.19 0.37 0.02 -1.26 -4.87 135.00 128.28 2dwu s PRO 95 Ca 0.53 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.89 2dwu s PRO 95 Cb -0.11 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.34 2dwu s PRO 95 CO 0.49 -0.44 -0.17 0.08 -0.33 0.00 0.00 177.00 176.63 2dwu s VAL 96 N -0.05 2.25 -0.22 3.83 1.01 -1.26 -1.36 120.40 124.60 2dwu s VAL 96 Ca 0.59 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2dwu s VAL 96 Cb -0.42 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2dwu s VAL 96 CO 0.44 0.48 -0.03 -0.63 0.00 0.00 0.00 175.10 175.37 2dwu s ILE 97 N 1.30 3.57 0.42 2.22 1.09 0.42 -4.96 121.20 125.26 2dwu s ILE 97 Ca 0.04 -0.43 0.07 0.00 -1.10 0.00 0.00 60.65 59.23 2dwu s ILE 97 Cb -0.14 -2.62 0.01 0.00 -1.06 0.00 0.00 42.46 38.65 2dwu s ILE 97 CO -0.11 0.42 0.57 -0.83 -0.10 0.00 0.00 174.94 174.89 2dwu s GLY 98 N 1.37 1.87 0.00 6.18 0.00 -1.26 -0.80 107.32 114.67 2dwu s GLY 98 Ca 0.04 -1.59 0.26 0.00 0.00 0.00 0.00 44.72 43.43 2dwu s GLY 98 CO -0.01 -1.42 1.50 3.33 0.00 0.00 0.00 173.10 176.49 2dwu n VAL 99 N -1.86 0.00 -0.05 1.40 0.24 -1.12 -4.36 118.33 112.59 2dwu n VAL 99 Ca 0.06 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 2dwu n VAL 99 Cb 0.59 0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.49 1.08 -0.83 1.34 2.04 -1.92 -3.30 117.51 116.42 2dwu h ILE 100 Ca 0.00 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.12 2dwu h ILE 100 Cb 0.50 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 2dwu h ILE 100 CO 0.00 0.36 0.53 0.45 0.00 0.00 0.00 178.15 179.49 2dwu h HIS 101 N -0.98 1.06 -0.61 1.37 3.86 -1.96 -1.47 115.15 116.41 2dwu h HIS 101 Ca -0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 2dwu h HIS 101 Cb 0.60 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2dwu h HIS 101 CO 0.16 0.68 0.21 -1.35 0.86 0.00 0.00 177.93 178.49 2dwu h PRO 102 N 1.13 0.92 -0.28 2.45 0.11 -1.76 -0.58 132.00 133.98 2dwu h PRO 102 Ca 0.30 -0.17 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 2dwu h PRO 102 Cb -0.10 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 2dwu h PRO 102 CO -0.06 0.78 0.01 0.78 -0.21 0.00 0.00 178.00 179.30 2dwu h GLY 103 N 1.01 0.53 1.00 -0.55 0.00 -1.44 -1.58 103.07 102.04 2dwu h GLY 103 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2dwu h GLY 103 CO -0.01 0.35 0.42 0.00 0.00 0.00 0.00 176.54 177.30 2dwu h ALA 104 N 0.84 0.81 -0.66 3.60 0.00 -0.98 -1.08 119.26 121.80 2dwu h ALA 104 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dwu h ALA 104 Cb 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2dwu h ALA 104 CO 0.01 0.25 0.38 -0.09 0.00 0.00 0.00 179.25 179.80 2dwu h ARG 105 N 0.87 0.91 -0.24 0.00 2.43 -0.99 -1.57 114.38 115.78 2dwu h ARG 105 Ca 0.23 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 2dwu h ARG 105 Cb -0.09 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 2dwu h ARG 105 CO -0.05 0.67 -0.24 0.00 -1.51 0.00 0.00 179.97 178.84 2dwu h ALA 106 N 1.19 1.14 -0.71 2.80 0.00 -1.05 -2.39 119.26 120.23 2dwu h ALA 106 Ca 0.23 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2dwu h ALA 106 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2dwu h ALA 106 CO -0.04 0.54 0.21 0.00 0.00 0.00 0.00 179.25 179.97 2dwu h ALA 107 N 1.34 1.04 -0.49 0.00 0.00 -0.50 -1.72 119.26 118.92 2dwu h ALA 107 Ca 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2dwu h ALA 107 Cb 0.64 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2dwu h ALA 107 CO 0.05 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.82 2dwu h ILE 108 N 1.06 1.23 -0.52 0.00 2.04 -1.02 -1.15 117.51 119.15 2dwu h ILE 108 Ca 0.23 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 2dwu h ILE 108 Cb 0.31 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2dwu h ILE 108 CO -0.01 0.32 -0.08 0.50 0.00 0.00 0.00 178.15 178.89 2dwu h LYS 109 N 0.74 0.94 0.00 2.37 3.64 -0.91 -3.30 116.57 120.04 2dwu h LYS 109 Ca 0.16 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2dwu h LYS 109 Cb 0.37 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2dwu h LYS 109 CO 0.01 0.98 -1.29 1.33 -2.27 0.00 0.00 179.45 178.21 2dwu n VAL 110 N -4.16 0.56 -2.22 2.00 0.24 -0.70 -4.93 118.33 109.12 2dwu n VAL 110 Ca 0.02 -0.56 -0.39 0.00 -2.04 0.00 0.00 64.34 61.37 2dwu n VAL 110 Cb 0.37 -0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 32.42 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 2.97 -0.14 3.34 -1.32 -0.46 -4.93 115.64 111.76 2dwu s THR 111 Ca -0.03 0.87 0.10 0.00 -1.21 0.00 0.00 61.69 61.42 2dwu s THR 111 Cb 0.10 -3.51 -0.16 0.00 -1.51 0.00 0.00 72.50 67.42 2dwu s THR 111 CO 0.82 0.13 0.01 0.29 -2.21 0.00 0.00 174.62 173.66 2dwu n LYS 112 N 0.33 1.60 0.00 7.08 4.76 -1.26 -4.64 118.16 126.03 2dwu n LYS 112 Ca 0.03 0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.57 2dwu n LYS 112 Cb 0.45 -1.34 0.01 0.00 -1.84 0.00 0.00 35.03 32.31 2dwu n LYS 112 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2dwu n LYS 113 N -2.58 1.57 -2.14 1.97 2.85 -1.26 -4.98 118.16 113.59 2dwu n LYS 113 Ca -0.23 -1.00 -0.04 0.00 -1.05 0.00 0.00 58.31 56.00 2dwu n LYS 113 Cb 0.92 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 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 1.18 0.28 2.94 2.58 0.00 -1.26 -4.95 105.19 105.96 2dwu n GLY 114 Ca 0.08 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.30 1.71 -0.04 1.61 1.02 -1.26 -1.30 119.74 117.18 2dwu s LYS 115 Ca 0.01 -0.81 0.06 0.00 0.02 0.00 0.00 55.97 55.25 2dwu s LYS 115 Cb -0.01 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 2dwu s LYS 115 CO 0.01 -0.49 -0.22 0.42 -0.92 0.00 0.00 175.35 174.15 2dwu s ILE 116 N 1.46 1.76 0.16 2.17 1.01 -0.09 -2.05 121.20 125.63 2dwu s ILE 116 Ca -0.02 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.78 2dwu s ILE 116 Cb -0.17 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2dwu s ILE 116 CO -0.07 0.50 0.03 -0.83 0.00 0.00 0.00 174.94 174.56 2dwu s GLY 117 N -0.20 1.75 -0.03 6.18 0.00 0.52 -0.86 107.32 114.67 2dwu s GLY 117 Ca -0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 2dwu s GLY 117 CO 0.02 -1.32 0.07 0.14 0.00 0.00 0.00 173.10 172.00 2dwu s VAL 118 N -1.69 -0.05 0.13 1.40 1.01 -0.19 -0.57 120.40 120.45 2dwu s VAL 118 Ca 0.28 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.54 2dwu s VAL 118 Cb -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2dwu s VAL 118 CO 0.19 0.08 -0.24 0.27 0.00 0.00 0.00 175.10 175.40 2dwu s ILE 119 N 1.00 2.07 0.00 2.22 -4.36 -0.99 -1.09 121.20 120.04 2dwu s ILE 119 Ca -0.08 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 2dwu s ILE 119 Cb -0.11 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.74 2dwu s ILE 119 CO -0.04 -0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.75 2dwu n GLY 120 N 0.87 0.53 3.76 6.27 0.00 -1.17 -0.70 105.19 114.74 2dwu n GLY 120 Ca -0.18 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.05 2.58 0.21 2.61 -4.23 -1.26 -1.01 115.64 112.50 2dwu s THR 121 Ca 0.00 0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 60.61 2dwu s THR 121 Cb 0.00 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.17 2dwu s THR 121 CO 0.00 -0.25 1.82 0.58 -0.54 0.00 0.00 174.62 176.23 2dwu h VAL 122 N -1.43 0.99 -0.62 2.29 2.07 -1.93 -0.67 116.25 116.95 2dwu h VAL 122 Ca -0.50 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2dwu h VAL 122 Cb 1.29 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2dwu h VAL 122 CO 0.58 0.14 0.36 1.23 0.02 0.00 0.00 177.57 179.89 2dwu h GLY 123 N 0.74 0.92 0.92 2.17 0.00 -1.68 0.14 103.07 106.28 2dwu h GLY 123 Ca 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2dwu h GLY 123 CO -0.17 0.39 0.13 -0.84 0.00 0.00 0.00 176.54 176.04 2dwu h THR 124 N 0.84 1.16 -0.29 4.70 2.02 -1.68 -2.63 112.91 117.04 2dwu h THR 124 Ca 0.22 -0.48 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 2dwu h THR 124 Cb 0.02 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2dwu h THR 124 CO -0.04 0.17 -0.31 0.40 0.37 0.00 0.00 175.52 176.11 2dwu h ILE 125 N 0.32 1.30 0.00 3.11 1.08 -0.95 -3.08 117.51 119.28 2dwu h ILE 125 Ca 0.10 -1.49 -0.02 0.00 -0.39 0.00 0.00 64.86 63.06 2dwu h ILE 125 Cb 0.15 1.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2dwu h ILE 125 CO -0.01 0.48 -0.08 1.56 -0.69 0.00 0.00 178.15 179.40 2dwu h GLN 126 N 0.46 0.00 0.00 2.37 1.08 -0.70 -1.46 115.11 116.86 2dwu h GLN 126 Ca 0.04 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2dwu h GLN 126 Cb 0.89 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2dwu h GLN 126 CO 0.08 0.08 -0.09 0.66 -0.95 0.00 0.00 178.83 178.61 2dwu h SER 127 N 0.00 0.00 -1.51 1.46 4.64 -1.37 -3.46 113.55 113.31 2dwu h SER 127 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 2dwu h SER 127 Cb 0.23 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.19 2dwu h SER 127 CO 0.01 0.09 -0.37 -3.20 -0.87 0.00 0.00 176.83 172.49 2dwu n ASN 128 N -3.25 -5.04 0.14 4.97 5.15 -0.55 -4.87 115.26 111.81 2dwu n ASN 128 Ca 0.00 0.38 0.04 0.00 -0.60 0.00 0.00 54.58 54.41 2dwu n ASN 128 Cb 0.33 -4.44 0.47 0.00 -0.53 0.00 0.00 39.78 35.62 2dwu n ASN 128 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2dwu h MET 129 N 0.00 0.22 -0.14 1.20 4.05 -1.83 -1.86 114.93 116.57 2dwu h MET 129 Ca -0.40 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 58.97 2dwu h MET 129 Cb 1.24 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2dwu h MET 129 CO 0.56 0.26 -0.01 1.88 0.23 0.00 0.00 176.91 179.82 2dwu h TYR 130 N 0.22 0.28 -0.70 1.39 0.05 -1.89 0.59 116.97 116.90 2dwu h TYR 130 Ca 0.05 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2dwu h TYR 130 Cb 0.17 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 2dwu h TYR 130 CO 0.00 0.51 0.34 1.49 -1.05 0.00 0.00 178.16 179.45 2dwu h GLU 131 N -0.03 1.02 -0.38 4.88 4.81 -1.91 -0.35 114.58 122.61 2dwu h GLU 131 Ca 0.04 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2dwu h GLU 131 Cb 0.41 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2dwu h GLU 131 CO 0.01 0.80 0.19 0.87 -0.73 0.00 0.00 179.01 180.15 2dwu h LYS 132 N 0.98 0.55 -0.59 1.92 1.57 -1.21 -0.10 116.57 119.70 2dwu h LYS 132 Ca 0.24 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2dwu h LYS 132 Cb 0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2dwu h LYS 132 CO -0.03 0.48 0.26 0.00 -0.57 0.00 0.00 179.45 179.59 2dwu h ALA 133 N 1.04 0.76 -0.41 3.86 0.00 -0.60 -1.09 119.26 122.81 2dwu h ALA 133 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2dwu h ALA 133 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2dwu h ALA 133 CO -0.02 0.34 0.10 -0.07 0.00 0.00 0.00 179.25 179.60 2dwu h LEU 134 N 0.80 0.63 -1.35 0.00 3.38 -0.82 -2.83 115.31 115.13 2dwu h LEU 134 Ca 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2dwu h LEU 134 Cb 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2dwu h LEU 134 CO -0.02 0.70 -0.15 0.45 0.09 0.00 0.00 178.44 179.51 2dwu h HIS 135 N 0.53 0.00 -0.35 1.13 3.86 -0.85 -0.56 115.15 118.90 2dwu h HIS 135 Ca 0.13 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2dwu h HIS 135 Cb 0.32 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 2dwu h HIS 135 CO 0.02 0.15 -0.11 1.49 0.86 0.00 0.00 177.93 180.35 2dwu h GLU 136 N 0.00 0.61 0.18 2.45 4.81 -0.95 -2.96 114.58 118.72 2dwu h GLU 136 Ca -0.00 -0.18 -0.34 0.00 -0.13 0.00 0.00 59.36 58.71 2dwu h GLU 136 Cb 0.62 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.95 2dwu h GLU 136 CO 0.02 0.71 -1.65 -0.07 -0.73 0.00 0.00 179.01 177.29 2dwu h LEU 137 N 0.56 0.59 -6.54 1.64 3.38 -1.34 -3.45 115.31 110.16 2dwu h LEU 137 Ca 0.10 -0.82 -0.22 0.00 0.09 0.00 0.00 57.88 57.03 2dwu h LEU 137 Cb 0.52 -0.19 -0.32 0.00 0.09 0.00 0.00 40.66 40.76 2dwu h LEU 137 CO 0.03 1.68 -0.54 -0.62 0.09 0.00 0.00 178.44 179.08 2dwu s ASP 138 N -7.26 0.73 0.50 -0.43 3.68 -0.27 -5.03 116.67 108.60 2dwu s ASP 138 Ca -0.13 -0.07 0.22 0.00 2.13 0.00 0.00 52.55 54.70 2dwu s ASP 138 Cb 0.06 0.85 1.29 0.00 -1.45 0.00 0.00 42.92 43.67 2dwu s ASP 138 CO 0.87 -0.32 2.06 0.74 0.13 0.00 0.00 175.17 178.65 2dwu h THR 139 N 6.23 0.82 -1.10 1.71 2.02 -1.77 -3.26 112.91 117.56 2dwu h THR 139 Ca -0.17 -0.49 -0.54 0.00 0.77 0.00 0.00 66.41 65.97 2dwu h THR 139 Cb 1.14 1.29 -0.21 0.00 -1.74 0.00 0.00 68.15 68.63 2dwu h THR 139 CO 0.28 0.13 0.62 -1.22 0.37 0.00 0.00 175.52 175.70 2dwu n TYR 140 N -3.99 2.15 -4.48 3.16 4.01 -1.26 -4.89 117.16 111.87 2dwu n TYR 140 Ca -0.02 -2.22 -0.30 0.00 -0.16 0.00 0.00 57.90 55.20 2dwu n TYR 140 Cb 0.22 -1.25 -0.12 0.00 -0.31 0.00 0.00 39.34 37.88 2dwu n TYR 140 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dwu s LEU 141 N -2.77 2.67 -0.21 7.72 1.43 -1.23 -4.95 118.68 121.34 2dwu s LEU 141 Ca 0.52 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2dwu s LEU 141 Cb 0.38 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 2dwu s LEU 141 CO -0.17 0.22 0.05 -0.75 0.23 0.00 0.00 176.35 175.93 2dwu s LYS 142 N -1.79 3.75 -0.12 1.70 2.47 -0.42 -5.00 119.74 120.33 2dwu s LYS 142 Ca 0.16 -0.45 0.03 0.00 -1.56 0.00 0.00 55.97 54.15 2dwu s LYS 142 Cb -0.11 -3.22 -0.00 0.00 -1.46 0.00 0.00 37.83 33.04 2dwu s LYS 142 CO 0.08 0.01 -0.21 0.08 0.16 0.00 0.00 175.35 175.48 2dwu s VAL 143 N 1.05 2.33 -0.26 4.02 1.01 -1.26 -0.91 120.40 126.38 2dwu s VAL 143 Ca 0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 2dwu s VAL 143 Cb -0.14 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.34 2dwu s VAL 143 CO 0.03 0.55 -0.03 -1.00 0.00 0.00 0.00 175.10 174.64 2dwu s HIS 144 N 0.44 3.10 -0.18 5.22 3.76 -0.04 -4.99 115.29 122.59 2dwu s HIS 144 Ca -0.15 -1.48 -0.02 0.00 -0.15 0.00 0.00 55.06 53.26 2dwu s HIS 144 Cb -0.17 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 2dwu s HIS 144 CO 0.06 -0.71 -0.09 -1.12 -0.85 0.00 0.00 174.74 172.04 2dwu s SER 145 N 1.35 4.12 -0.05 1.40 0.01 -1.26 -1.02 113.70 118.25 2dwu s SER 145 Ca 0.00 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2dwu s SER 145 Cb -0.17 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.41 2dwu s SER 145 CO -0.03 0.06 -0.06 -1.00 0.41 0.00 0.00 173.24 172.62 2dwu s HIS 146 N 1.00 0.91 0.26 2.43 3.76 -0.25 -4.99 115.29 118.40 2dwu s HIS 146 Ca -0.01 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.32 2dwu s HIS 146 Cb -0.15 -0.76 -0.09 0.00 1.11 0.00 0.00 32.58 32.69 2dwu s HIS 146 CO -0.01 -0.22 1.00 0.00 -0.85 0.00 0.00 174.74 174.66 2dwu s ALA 147 N 0.92 3.36 -0.51 -1.40 0.00 -1.26 -3.06 121.76 119.81 2dwu s ALA 147 Ca -0.11 0.73 0.07 0.00 0.00 0.00 0.00 51.96 52.65 2dwu s ALA 147 Cb -0.15 -3.26 0.26 0.00 0.00 0.00 0.00 23.12 19.98 2dwu s ALA 147 CO 0.00 0.06 0.66 0.00 0.00 0.00 0.00 175.76 176.49 2dwu h PRO 149 N 3.91 0.41 0.00 0.00 0.11 -1.94 -2.64 132.00 131.85 2dwu h PRO 149 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2dwu h PRO 149 Cb 0.77 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2dwu h PRO 149 CO 0.65 0.27 -0.06 1.79 -0.21 0.00 0.00 178.00 180.43 2dwu h THR 150 N 0.42 0.00 -0.60 -1.15 1.35 -1.96 -3.38 112.91 107.59 2dwu h THR 150 Ca 0.68 -0.59 -0.08 0.00 -0.55 0.00 0.00 66.41 65.87 2dwu h THR 150 Cb 1.54 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.49 2dwu h THR 150 CO -0.49 0.00 0.04 -0.07 -0.25 0.00 0.00 175.52 174.75 2dwu h LEU 151 N 0.00 0.97 -0.56 3.87 3.38 -1.84 -2.01 115.31 119.12 2dwu h LEU 151 Ca 0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2dwu h LEU 151 Cb 0.80 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2dwu h LEU 151 CO 0.00 1.01 0.14 0.00 0.09 0.00 0.00 178.44 179.67 2dwu h ALA 152 N 1.10 0.73 -0.64 1.53 0.00 -1.79 -1.48 119.26 118.72 2dwu h ALA 152 Ca 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2dwu h ALA 152 Cb 0.49 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2dwu h ALA 152 CO 0.02 0.44 0.20 1.15 0.00 0.00 0.00 179.25 181.06 2dwu h THR 153 N 0.79 1.24 -0.57 0.00 2.02 -1.78 -1.48 112.91 113.13 2dwu h THR 153 Ca 0.17 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2dwu h THR 153 Cb 0.34 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 2dwu h THR 153 CO 0.00 0.32 0.34 0.58 0.37 0.00 0.00 175.52 177.13 2dwu h VAL 154 N 0.94 1.05 -0.71 3.16 2.07 -0.95 0.11 116.25 121.91 2dwu h VAL 154 Ca 0.21 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2dwu h VAL 154 Cb 0.27 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2dwu h VAL 154 CO -0.01 0.12 0.26 0.58 0.02 0.00 0.00 177.57 178.54 2dwu h VAL 155 N 0.67 1.25 0.02 2.57 2.07 -0.77 0.59 116.25 122.66 2dwu h VAL 155 Ca 0.23 -0.83 -0.21 0.00 0.82 0.00 0.00 66.70 66.71 2dwu h VAL 155 Cb 0.04 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2dwu h VAL 155 CO -0.11 0.33 -1.00 -0.33 0.02 0.00 0.00 177.57 176.48 2dwu h GLU 156 N 1.04 0.06 0.00 1.57 5.08 -0.79 -3.38 114.58 118.15 2dwu h GLU 156 Ca 0.23 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2dwu h GLU 156 Cb 0.25 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dwu h GLU 156 CO -0.01 1.01 -0.14 0.09 -1.00 0.00 0.00 179.01 178.95 2dwu n ASN 157 N -3.44 0.72 -0.21 1.42 5.03 0.35 -4.82 115.26 114.30 2dwu n ASN 157 Ca -0.02 -0.41 0.01 0.00 0.87 0.00 0.00 54.58 55.03 2dwu n ASN 157 Cb 0.92 0.97 0.02 0.00 -1.02 0.00 0.00 39.78 40.67 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 -1.05 0.50 0.23 3.52 5.12 0.13 -4.90 116.66 120.21 2dwu n ARG 158 Ca 0.00 -1.08 0.14 0.00 -1.93 0.00 0.00 57.85 54.98 2dwu n ARG 158 Cb 0.00 -0.69 0.79 0.00 -1.16 0.00 0.00 32.46 31.41 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 -0.04 0.55 5.85 -1.54 -1.56 115.31 118.57 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 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 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 -4.74 1.25 4.39 -1.90 -3.38 114.58 110.20 2dwu h GLU 160 Ca 0.05 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.02 2dwu h GLU 160 Cb 0.27 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.74 2dwu h GLU 160 CO -0.00 0.00 1.28 0.34 -1.16 0.00 0.00 179.01 179.47 2dwu s ASP 161 N -5.12 7.05 0.40 1.42 3.68 -0.59 -4.87 116.67 118.64 2dwu s ASP 161 Ca 0.09 -2.94 0.11 0.00 2.13 0.00 0.00 52.55 51.94 2dwu s ASP 161 Cb 0.10 -2.39 0.91 0.00 -1.45 0.00 0.00 42.92 40.08 2dwu s ASP 161 CO 0.62 -0.76 1.96 0.71 0.13 0.00 0.00 175.17 177.83 2dwu h THR 162 N 4.72 0.93 -0.60 1.71 1.35 -1.82 -0.86 112.91 118.35 2dwu h THR 162 Ca 0.30 -0.19 -0.10 0.00 -0.55 0.00 0.00 66.41 65.87 2dwu h THR 162 Cb 0.88 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 2dwu h THR 162 CO 1.23 0.10 -0.01 0.00 -0.25 0.00 0.00 175.52 176.59 2dwu h ALA 163 N 1.65 0.81 -0.37 6.62 0.00 -1.96 -0.66 119.26 125.35 2dwu h ALA 163 Ca 0.31 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2dwu h ALA 163 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2dwu h ALA 163 CO -0.10 0.65 -0.16 -0.92 0.00 0.00 0.00 179.25 178.72 2dwu h TYR 164 N 0.96 0.87 -0.39 0.00 5.03 -1.66 -1.79 116.97 119.99 2dwu h TYR 164 Ca 0.17 -0.21 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 2dwu h TYR 164 Cb 0.57 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 2dwu h TYR 164 CO 0.04 0.94 0.17 0.28 -1.32 0.00 0.00 178.16 178.27 2dwu h VAL 165 N 0.55 1.18 -0.59 1.81 2.07 -1.03 -0.85 116.25 119.40 2dwu h VAL 165 Ca 0.09 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.08 2dwu h VAL 165 Cb 0.69 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2dwu h VAL 165 CO 0.05 0.20 0.36 0.74 0.02 0.00 0.00 177.57 178.95 2dwu h THR 166 N 0.49 1.08 -0.70 2.57 2.02 -1.01 0.09 112.91 117.45 2dwu h THR 166 Ca 0.13 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2dwu h THR 166 Cb 0.16 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2dwu h THR 166 CO -0.01 0.13 0.20 -0.61 0.37 0.00 0.00 175.52 175.60 2dwu h GLN 167 N 0.72 1.10 -0.17 6.66 5.75 -1.02 -0.70 115.11 127.46 2dwu h GLN 167 Ca 0.23 -0.24 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 2dwu h GLN 167 Cb -0.00 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 2dwu h GLN 167 CO -0.09 0.95 -0.55 1.96 -2.65 0.00 0.00 178.83 178.45 2dwu h GLN 168 N 1.05 0.51 -0.36 1.69 1.08 -0.74 -1.48 115.11 116.86 2dwu h GLN 168 Ca 0.23 -0.32 -0.16 0.00 -1.45 0.00 0.00 58.65 56.94 2dwu h GLN 168 Cb 0.33 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2dwu h GLN 168 CO -0.00 0.93 -0.39 0.28 -0.95 0.00 0.00 178.83 178.69 2dwu h VAL 169 N 0.39 1.28 -0.29 -0.54 2.07 -0.82 -1.33 116.25 117.01 2dwu h VAL 169 Ca 0.01 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2dwu h VAL 169 Cb 1.09 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2dwu h VAL 169 CO 0.10 0.52 0.18 0.50 0.02 0.00 0.00 177.57 178.89 2dwu h LYS 170 N 0.72 0.39 -0.65 1.57 3.64 -0.92 -1.16 116.57 120.15 2dwu h LYS 170 Ca 0.06 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2dwu h LYS 170 Cb 0.97 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 2dwu h LYS 170 CO 0.09 0.29 0.14 1.96 -2.27 0.00 0.00 179.45 179.66 2dwu h GLN 171 N 0.37 1.05 -0.29 1.90 4.20 -1.23 -1.95 115.11 119.16 2dwu h GLN 171 Ca 0.10 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.44 2dwu h GLN 171 Cb -0.00 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2dwu h GLN 171 CO -0.02 0.95 -0.26 0.00 -0.67 0.00 0.00 178.83 178.83 2dwu h ALA 172 N 1.05 1.01 -0.01 3.87 0.00 -1.02 -3.18 119.26 120.97 2dwu h ALA 172 Ca 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dwu h ALA 172 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dwu h ALA 172 CO 0.01 0.59 -0.33 1.28 0.00 0.00 0.00 179.25 180.79 2dwu n LEU 173 N -4.11 1.34 -0.19 0.00 4.77 -0.46 -4.45 117.00 113.91 2dwu n LEU 173 Ca -0.00 -0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2dwu n LEU 173 Cb 0.43 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2dwu n LEU 173 CO 0.43 0.25 0.82 0.25 -1.33 0.00 0.00 177.39 177.81 2dwu h LEU 174 N 1.58 -0.32 -1.87 2.23 6.46 -1.33 0.12 115.31 122.19 2dwu h LEU 174 Ca 0.00 0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 2dwu h LEU 174 Cb 0.58 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 2dwu h LEU 174 CO 0.00 -0.12 0.15 1.55 -0.62 0.00 0.00 178.44 179.40 2dwu h PRO 175 N 0.09 0.17 0.00 5.25 0.13 -1.82 -2.00 132.00 133.83 2dwu h PRO 175 Ca 0.30 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.35 2dwu h PRO 175 Cb 0.47 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2dwu h PRO 175 CO -0.52 0.11 -0.33 -0.07 -0.23 0.00 0.00 178.00 176.97 2dwu h LEU 176 N 0.17 0.00 -1.77 1.56 3.38 -1.30 -3.02 115.31 114.33 2dwu h LEU 176 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2dwu h LEU 176 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dwu h LEU 176 CO -0.02 0.33 -0.01 0.71 0.09 0.00 0.00 178.44 179.54 2dwu h THR 177 N 0.00 0.03 0.00 0.22 1.35 -0.55 -1.96 112.91 112.00 2dwu h THR 177 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2dwu h THR 177 Cb 1.25 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2dwu h THR 177 CO 0.04 0.01 -0.32 0.29 -0.25 0.00 0.00 175.52 175.29 2dwu n LYS 178 N -3.11 0.25 -3.96 4.72 5.02 -1.14 -4.88 118.16 115.05 2dwu n LYS 178 Ca -0.00 0.13 -0.27 0.00 -2.02 0.00 0.00 58.31 56.15 2dwu n LYS 178 Cb 0.26 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.12 3.37 -0.60 1.97 0.41 -0.74 -5.06 118.70 114.93 2dwu s GLU 179 Ca 0.09 -0.62 -0.21 0.00 -0.41 0.00 0.00 54.97 53.82 2dwu s GLU 179 Cb 0.13 -2.93 0.07 0.00 -1.78 0.00 0.00 34.13 29.62 2dwu s GLU 179 CO 0.66 0.52 0.84 0.34 -0.49 0.00 0.00 175.26 177.14 2dwu s ASP 180 N -3.15 6.21 0.07 -0.19 2.15 -1.26 -5.00 116.67 115.50 2dwu s ASP 180 Ca 0.34 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 52.36 2dwu s ASP 180 Cb -0.11 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 2dwu s ASP 180 CO 0.28 -1.24 -0.06 0.27 -0.17 0.00 0.00 175.17 174.24 2dwu s ILE 181 N 3.49 0.57 0.00 4.11 -4.36 -1.26 -4.75 121.20 119.00 2dwu s ILE 181 Ca 0.20 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 2dwu s ILE 181 Cb -0.18 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.25 2dwu s ILE 181 CO 0.11 -0.72 0.57 -0.90 0.24 0.00 0.00 174.94 174.24 2dwu n ASP 182 N 0.50 1.04 -3.79 4.36 5.75 -0.87 -4.79 116.55 118.76 2dwu n ASP 182 Ca -0.16 -1.29 -0.13 0.00 -0.01 0.00 0.00 54.79 53.20 2dwu n ASP 182 Cb 0.59 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.29 -0.00 -0.08 2.12 2.01 -1.23 -1.12 115.64 117.05 2dwu s THR 183 Ca 0.00 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2dwu s THR 183 Cb 0.00 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.20 2dwu s THR 183 CO 0.00 0.01 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.66 2dwu s LEU 184 N 0.24 1.12 -0.17 4.42 2.96 0.06 -0.35 118.68 126.96 2dwu s LEU 184 Ca -0.01 -0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 53.51 2dwu s LEU 184 Cb -0.03 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 2dwu s LEU 184 CO -0.01 -0.10 0.52 -0.63 -1.32 0.00 0.00 176.35 174.81 2dwu s ILE 185 N 1.45 5.12 -1.04 6.68 1.01 0.27 -0.80 121.20 133.89 2dwu s ILE 185 Ca -0.01 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 0.08 0.00 0.01 0.00 0.00 42.46 38.57 2dwu s ILE 185 CO -0.04 0.21 1.39 -0.76 0.00 0.00 0.00 174.94 175.75 2dwu s LEU 186 N 1.36 4.05 -0.12 2.97 1.43 -0.13 -2.36 118.68 125.88 2dwu s LEU 186 Ca 0.25 -1.82 -0.02 0.00 -1.03 0.00 0.00 54.13 51.52 2dwu s LEU 186 Cb -0.15 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.57 2dwu s LEU 186 CO 0.10 -1.30 2.33 0.61 0.23 0.00 0.00 176.35 178.31 2dwu n GLY 187 N 6.18 3.16 3.50 -3.19 0.00 0.12 -3.81 105.19 111.15 2dwu n GLY 187 Ca 0.33 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 4.13 0.77 0.00 0.00 1.35 -1.86 -2.81 112.91 114.49 2dwu h THR 189 Ca -0.28 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2dwu h THR 189 Cb 1.17 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2dwu h THR 189 CO 0.14 0.03 -0.43 0.45 -0.25 0.00 0.00 175.52 175.46 2dwu h HIS 190 N 0.16 0.00 0.00 4.73 3.86 -1.96 -3.39 115.15 118.56 2dwu h HIS 190 Ca 0.29 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2dwu h HIS 190 Cb 0.90 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 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 -0.26 2.45 0.05 -1.85 -2.54 116.97 114.82 2dwu h TYR 191 Ca 0.00 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2dwu h TYR 191 Cb 1.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 2dwu h TYR 191 CO 0.00 0.09 0.19 -1.35 -1.05 0.00 0.00 178.16 176.04 2dwu h PRO 192 N 0.00 0.02 0.00 4.88 0.11 -1.79 0.12 132.00 135.34 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 0.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2dwu h PRO 192 CO 0.01 0.02 0.00 -0.07 -0.21 0.00 0.00 178.00 177.75 2dwu h LEU 193 N 0.02 0.00 -2.74 2.35 4.07 -1.78 -2.46 115.31 114.78 2dwu h LEU 193 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2dwu h LEU 193 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2dwu h LEU 193 CO -0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.54 2dwu n LEU 194 N -2.53 3.51 -0.27 1.67 4.77 0.41 -4.68 117.00 119.89 2dwu n LEU 194 Ca 0.01 -1.94 0.08 0.00 -0.03 0.00 0.00 56.01 54.13 2dwu n LEU 194 Cb 0.22 -0.37 0.22 0.00 -2.33 0.00 0.00 43.42 41.16 2dwu n LEU 194 CO 0.21 0.87 0.94 -0.08 -1.33 0.00 0.00 177.39 177.99 2dwu h GLU 195 N 3.45 0.25 -0.58 3.23 4.81 -1.29 -0.89 114.58 123.56 2dwu h GLU 195 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2dwu h GLU 195 Cb 0.89 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2dwu h GLU 195 CO 0.00 0.16 0.27 0.77 -0.73 0.00 0.00 179.01 179.48 2dwu h SER 196 N 0.26 0.77 -0.66 1.04 0.02 -1.85 -0.20 113.55 112.92 2dwu h SER 196 Ca 0.47 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2dwu h SER 196 Cb 0.85 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 2dwu h SER 196 CO -0.56 0.70 0.22 1.88 -1.14 0.00 0.00 176.83 177.92 2dwu h TYR 197 N 0.79 1.05 -0.42 3.45 0.05 -1.62 -1.86 116.97 118.41 2dwu h TYR 197 Ca 0.20 -0.10 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 2dwu h TYR 197 Cb 0.14 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 2dwu h TYR 197 CO 0.00 0.84 -0.09 0.82 -1.05 0.00 0.00 178.16 178.69 2dwu h ILE 198 N 0.96 1.27 -0.83 -2.88 2.04 -0.93 -1.88 117.51 115.26 2dwu h ILE 198 Ca 0.22 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2dwu h ILE 198 Cb 0.27 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2dwu h ILE 198 CO -0.01 0.40 0.50 0.11 0.00 0.00 0.00 178.15 179.15 2dwu h LYS 199 N 0.63 1.13 -0.53 2.37 1.57 -0.91 -0.90 116.57 119.93 2dwu h LYS 199 Ca 0.11 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2dwu h LYS 199 Cb 0.61 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2dwu h LYS 199 CO 0.04 0.80 0.03 -0.22 -0.57 0.00 0.00 179.45 179.53 2dwu h LYS 200 N 1.14 0.87 -0.23 3.15 1.63 -1.13 -0.22 116.57 121.78 2dwu h LYS 200 Ca 0.30 -0.23 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 2dwu h LYS 200 Cb -0.04 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 2dwu h LYS 200 CO -0.05 0.84 -0.24 0.93 -3.45 0.00 0.00 179.45 177.48 2dwu h GLU 201 N 0.81 0.57 0.00 1.90 4.39 -0.81 -3.34 114.58 118.10 2dwu h GLU 201 Ca 0.16 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2dwu h GLU 201 Cb 0.44 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2dwu h GLU 201 CO 0.02 0.90 -1.04 -0.07 -1.16 0.00 0.00 179.01 177.66 2dwu h LEU 202 N 0.27 0.00 0.00 1.33 3.38 -1.14 -3.49 115.31 115.66 2dwu h LEU 202 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dwu h LEU 202 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2dwu h LEU 202 CO 0.06 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2dwu n GLY 203 N 1.28 0.76 0.00 0.83 0.00 -0.10 -4.64 105.19 103.32 2dwu n GLY 203 Ca -0.04 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.17 2dwu n GLY 203 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dwu n GLU 204 N 1.14 0.18 0.00 1.61 1.02 -1.26 -3.08 120.64 120.25 2dwu n GLU 204 Ca 0.00 0.14 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2dwu n GLU 204 Cb 0.00 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 30.55 2dwu n GLU 204 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dwu n ASP 205 N -1.35 0.93 -4.19 1.62 10.43 -1.26 -4.75 116.55 117.97 2dwu n ASP 205 Ca 0.07 -1.19 -0.34 0.00 2.57 0.00 0.00 54.79 55.91 2dwu n ASP 205 Cb 0.17 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 42.98 2dwu n ASP 205 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2dwu s VAL 206 N -2.11 2.66 -0.03 2.53 1.01 -1.18 -4.60 120.40 118.67 2dwu s VAL 206 Ca 0.38 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 2dwu s VAL 206 Cb 0.21 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2dwu s VAL 206 CO 0.38 0.36 0.94 -0.89 0.00 0.00 0.00 175.10 175.89 2dwu s THR 207 N 1.33 4.88 0.02 3.92 2.01 -0.27 -4.86 115.64 122.67 2dwu s THR 207 Ca 0.03 1.95 -0.19 0.00 0.31 0.00 0.00 61.69 63.79 2dwu s THR 207 Cb -0.15 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 2dwu s THR 207 CO -0.07 0.14 0.56 -0.63 -0.69 0.00 0.00 174.62 173.92 2dwu s ILE 208 N 1.20 4.87 -0.21 1.82 -1.09 -1.26 -0.76 121.20 125.77 2dwu s ILE 208 Ca 0.49 1.17 0.01 0.00 -2.23 0.00 0.00 60.65 60.09 2dwu s ILE 208 Cb -0.20 -3.89 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2dwu s ILE 208 CO 0.24 0.49 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.65 2dwu s ILE 209 N -0.63 2.17 -0.06 2.92 -1.09 0.02 -4.93 121.20 119.59 2dwu s ILE 209 Ca 0.29 -1.14 -0.25 0.00 -2.23 0.00 0.00 60.65 57.32 2dwu s ILE 209 Cb -0.18 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 2dwu s ILE 209 CO 0.17 0.35 0.76 -0.55 -1.23 0.00 0.00 174.94 174.43 2dwu s SER 210 N 1.24 7.05 0.32 3.58 0.15 -1.26 -0.96 113.70 123.82 2dwu s SER 210 Ca 0.01 1.27 0.02 0.00 0.70 0.00 0.00 55.95 57.95 2dwu s SER 210 Cb -0.15 -2.44 0.54 0.00 -1.71 0.00 0.00 66.02 62.25 2dwu s SER 210 CO -0.10 -0.16 1.87 0.28 1.20 0.00 0.00 173.24 176.33 2dwu h SER 211 N 6.80 0.59 -0.07 5.45 0.02 -1.89 -2.71 113.55 121.74 2dwu h SER 211 Ca -0.40 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 2dwu h SER 211 Cb 1.20 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2dwu h SER 211 CO 0.76 0.62 0.01 0.00 -1.14 0.00 0.00 176.83 177.08 2dwu h ALA 212 N 1.46 0.10 -0.74 3.77 0.00 -1.90 -0.92 119.26 121.03 2dwu h ALA 212 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dwu h ALA 212 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2dwu h ALA 212 CO 0.00 -0.25 0.44 0.93 0.00 0.00 0.00 179.25 180.38 2dwu h GLU 213 N -0.13 1.01 0.00 0.00 5.08 -1.86 -2.43 114.58 116.25 2dwu h GLU 213 Ca 0.02 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2dwu h GLU 213 Cb 0.30 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2dwu h GLU 213 CO 0.00 0.72 -0.68 0.93 -1.00 0.00 0.00 179.01 178.98 2dwu h GLU 214 N 1.01 0.00 -0.10 2.33 4.39 -1.43 -3.11 114.58 117.68 2dwu h GLU 214 Ca 0.26 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.80 2dwu h GLU 214 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2dwu h GLU 214 CO -0.05 0.68 -0.63 1.15 -1.16 0.00 0.00 179.01 179.00 2dwu h THR 215 N 0.00 1.37 -0.54 1.13 2.02 -0.95 -1.56 112.91 114.38 2dwu h THR 215 Ca -0.01 -1.99 -0.10 0.00 0.77 0.00 0.00 66.41 65.08 2dwu h THR 215 Cb 1.35 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 2dwu h THR 215 CO 0.09 0.60 -0.05 0.00 0.37 0.00 0.00 175.52 176.53 2dwu h ALA 216 N 1.06 0.73 -0.03 6.16 0.00 -1.43 0.19 119.26 125.95 2dwu h ALA 216 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2dwu h ALA 216 Cb 1.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2dwu h ALA 216 CO 0.11 0.60 -0.60 0.97 0.00 0.00 0.00 179.25 180.32 2dwu h ILE 217 N 0.86 1.42 -0.41 0.00 2.10 -1.46 -0.29 117.51 119.73 2dwu h ILE 217 Ca 0.15 -2.03 -0.05 0.00 1.08 0.00 0.00 64.86 64.00 2dwu h ILE 217 Cb 0.60 2.07 -0.02 0.00 -1.09 0.00 0.00 36.82 38.39 2dwu h ILE 217 CO 0.04 0.59 0.06 -0.08 -1.08 0.00 0.00 178.15 177.67 2dwu h GLU 218 N 0.07 0.68 -0.35 2.19 4.57 -0.89 -0.79 114.58 120.05 2dwu h GLU 218 Ca -0.01 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2dwu h GLU 218 Cb 1.08 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2dwu h GLU 218 CO 0.08 0.73 0.22 1.25 -1.18 0.00 0.00 179.01 180.12 2dwu h LEU 219 N 0.53 0.41 -0.46 1.64 5.85 -0.71 -1.70 115.31 120.87 2dwu h LEU 219 Ca 0.12 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2dwu h LEU 219 Cb 0.38 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2dwu h LEU 219 CO 0.01 0.32 0.10 -1.28 -0.34 0.00 0.00 178.44 177.25 2dwu h SER 220 N 0.47 0.03 -0.50 1.25 0.87 -0.78 0.10 113.55 114.98 2dwu h SER 220 Ca 0.13 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2dwu h SER 220 Cb -0.03 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2dwu h SER 220 CO -0.03 0.05 0.28 0.74 -0.53 0.00 0.00 176.83 177.34 2dwu h THR 221 N 0.24 1.02 -0.26 2.23 2.02 -0.77 -1.71 112.91 115.67 2dwu h THR 221 Ca 0.22 -0.19 -0.18 0.00 0.77 0.00 0.00 66.41 67.03 2dwu h THR 221 Cb 0.28 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2dwu h THR 221 CO -0.29 0.10 -0.54 0.40 0.37 0.00 0.00 175.52 175.56 2dwu h ILE 222 N 0.56 1.28 -0.76 3.11 2.04 -0.80 -0.84 117.51 122.10 2dwu h ILE 222 Ca 0.21 -1.73 -0.05 0.00 1.00 0.00 0.00 64.86 64.29 2dwu h ILE 222 Cb 0.06 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2dwu h ILE 222 CO -0.12 0.56 0.29 -0.07 0.00 0.00 0.00 178.15 178.81 2dwu h LEU 223 N 0.58 1.05 -0.39 1.44 3.38 -0.65 -1.49 115.31 119.24 2dwu h LEU 223 Ca 0.00 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 2dwu h LEU 223 Cb 1.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2dwu h LEU 223 CO 0.12 0.94 -0.71 -0.61 0.09 0.00 0.00 178.44 178.27 2dwu h GLN 224 N 1.11 0.48 -0.83 1.13 4.15 -1.24 -0.85 115.11 119.06 2dwu h GLN 224 Ca 0.25 -0.38 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 2dwu h GLN 224 Cb 0.23 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 2dwu h GLN 224 CO -0.02 1.01 0.49 1.25 -1.93 0.00 0.00 178.83 179.63 2dwu h HIS 225 N 0.33 1.09 -0.00 3.99 2.76 -0.84 -1.63 115.15 120.85 2dwu h HIS 225 Ca -0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2dwu h HIS 225 Cb 1.29 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2dwu h HIS 225 CO 0.05 0.73 -0.06 1.63 -1.30 0.00 0.00 177.93 178.98 2dwu n LYS 226 N -4.37 0.89 -2.41 5.26 5.02 -0.59 -4.93 118.16 117.03 2dwu n LYS 226 Ca 0.09 -0.27 -0.12 0.00 -2.02 0.00 0.00 58.31 55.99 2dwu n LYS 226 Cb 0.07 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2dwu n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dwu n GLY 227 N 1.20 -0.07 0.70 0.72 0.00 -0.61 -4.95 105.19 102.17 2dwu n GLY 227 Ca 0.17 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.99 2.08 -2.27 -0.61 -5.35 -0.39 -5.03 119.36 103.80 2dwu n ILE 228 Ca -0.11 -3.14 -0.39 0.00 -0.27 0.00 0.00 62.75 58.84 2dwu n ILE 228 Cb 0.59 -0.19 -0.02 0.00 -1.74 0.00 0.00 39.64 38.29 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 -3.05 4.22 0.64 7.28 1.43 -1.25 -4.95 118.68 122.99 2dwu s LEU 229 Ca 0.38 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 2dwu s LEU 229 Cb 0.37 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2dwu s LEU 229 CO -0.07 -0.66 1.04 0.00 0.23 0.00 0.00 176.35 176.88 2dwu s ALA 230 N -1.37 2.95 -0.04 4.21 0.00 -1.26 -4.99 121.76 121.25 2dwu s ALA 230 Ca 0.56 0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.58 2dwu s ALA 230 Cb -0.32 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 19.77 2dwu s ALA 230 CO 0.40 -0.84 1.01 -0.40 0.00 0.00 0.00 175.76 175.93 2dwu n ASP 231 N -2.77 1.90 -4.64 0.00 3.85 -1.26 -4.84 116.55 108.78 2dwu n ASP 231 Ca 0.07 -2.25 -0.42 0.00 -0.71 0.00 0.00 54.79 51.47 2dwu n ASP 231 Cb 0.54 -0.13 -0.03 0.00 -1.35 0.00 0.00 41.12 40.15 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 -1.49 6.29 0.37 -1.12 3.84 -1.25 -4.91 114.94 116.67 2dwu s ASN 232 Ca 0.09 2.11 0.19 0.00 0.21 0.00 0.00 52.86 55.46 2dwu s ASN 232 Cb 0.08 -2.53 0.62 0.00 -0.55 0.00 0.00 41.25 38.87 2dwu s ASN 232 CO 0.01 -1.25 1.70 -0.07 -2.79 0.00 0.00 177.10 174.70 2dwu h LEU 233 N 11.68 0.00 -6.11 3.21 -0.00 -1.91 -3.38 115.31 118.79 2dwu h LEU 233 Ca -0.41 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 56.91 2dwu h LEU 233 Cb 1.20 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 41.48 2dwu h LEU 233 CO 0.97 0.38 -1.04 -3.20 -0.00 0.00 0.00 178.44 175.56 2dwu n ASN 234 N -3.48 -0.22 -4.85 -0.43 5.15 -1.26 -4.91 115.26 105.25 2dwu n ASN 234 Ca 0.00 -2.57 -0.29 0.00 -0.60 0.00 0.00 54.58 51.11 2dwu n ASN 234 Cb 0.53 -0.52 0.10 0.00 -0.53 0.00 0.00 39.78 39.36 2dwu n ASN 234 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2dwu s PRO 235 N -0.60 1.87 0.10 1.20 0.04 -1.26 -5.08 135.00 131.27 2dwu s PRO 235 Ca 0.34 0.30 0.07 0.00 0.04 0.00 0.00 61.00 61.75 2dwu s PRO 235 Cb 0.12 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2dwu s PRO 235 CO -0.15 -1.69 -0.19 0.15 0.04 0.00 0.00 177.00 175.16 2dwu s LYS 236 N -5.39 1.07 0.16 4.56 1.02 -1.26 -5.06 119.74 114.83 2dwu s LYS 236 Ca 0.62 -1.15 0.11 0.00 0.02 0.00 0.00 55.97 55.56 2dwu s LYS 236 Cb -0.13 -1.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 2dwu s LYS 236 CO 0.51 0.27 -0.23 -1.01 -0.92 0.00 0.00 175.35 173.98 2dwu s HIS 237 N -1.37 2.36 0.01 3.18 3.76 -1.26 -4.29 115.29 117.68 2dwu s HIS 237 Ca 0.06 -0.34 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 2dwu s HIS 237 Cb -0.09 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.36 2dwu s HIS 237 CO 0.04 0.42 -0.15 1.03 -0.85 0.00 0.00 174.74 175.24 2dwu s ARG 238 N -2.38 1.12 -0.00 1.40 0.52 -0.56 -4.59 118.95 114.46 2dwu s ARG 238 Ca 0.18 -0.62 0.07 0.00 -0.52 0.00 0.00 55.73 54.84 2dwu s ARG 238 Cb -0.09 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.25 2dwu s ARG 238 CO 0.09 0.29 -0.22 -0.06 0.02 0.00 0.00 175.30 175.42 2dwu s PHE 239 N -0.52 1.94 0.05 -0.53 0.08 -0.40 -1.02 117.98 117.57 2dwu s PHE 239 Ca 0.05 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.78 2dwu s PHE 239 Cb -0.06 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 2dwu s PHE 239 CO 0.00 -0.00 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.91 2dwu s PHE 240 N -0.58 1.27 0.01 0.36 0.40 0.12 -1.37 117.98 118.19 2dwu s PHE 240 Ca 0.08 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2dwu s PHE 240 Cb -0.08 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 2dwu s PHE 240 CO -0.00 0.05 0.04 -0.08 0.70 0.00 0.00 175.22 175.93 2dwu s THR 241 N -0.96 0.09 -1.49 0.64 -1.32 -0.39 -0.83 115.64 111.40 2dwu s THR 241 Ca 0.01 -0.76 0.26 0.00 -1.21 0.00 0.00 61.69 59.99 2dwu s THR 241 Cb -0.08 -0.31 0.15 0.00 -1.51 0.00 0.00 72.50 70.74 2dwu s THR 241 CO 0.02 -0.42 1.47 0.35 -2.21 0.00 0.00 174.62 173.83 2dwu n THR 242 N 1.65 0.00 -1.87 5.08 -2.24 -0.84 -1.54 114.28 114.53 2dwu n THR 242 Ca -0.23 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2dwu n THR 242 Cb 0.56 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.40 2.49 3.70 3.38 0.00 -1.26 -4.25 105.19 110.66 2dwu n GLY 243 Ca 0.09 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.78 6.51 0.06 1.61 0.15 -1.26 -4.90 113.70 115.09 2dwu s SER 244 Ca 0.00 2.65 -0.19 0.00 0.70 0.00 0.00 55.95 59.11 2dwu s SER 244 Cb 0.00 -2.57 -0.12 0.00 -1.71 0.00 0.00 66.02 61.61 2dwu s SER 244 CO 0.00 -0.93 1.39 0.58 1.20 0.00 0.00 173.24 175.49 2dwu h VAL 245 N 4.49 1.32 -0.61 4.45 2.07 -1.94 -2.21 116.25 123.82 2dwu h VAL 245 Ca -0.44 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 2dwu h VAL 245 Cb 1.21 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 2dwu h VAL 245 CO 0.94 0.37 0.27 0.77 0.02 0.00 0.00 177.57 179.94 2dwu h SER 246 N 0.10 0.79 -0.44 0.57 4.64 -1.97 -1.03 113.55 116.20 2dwu h SER 246 Ca 0.04 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2dwu h SER 246 Cb 0.64 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2dwu h SER 246 CO 0.04 0.69 0.07 -1.28 -0.87 0.00 0.00 176.83 175.48 2dwu h SER 247 N 0.87 0.70 -0.18 4.97 0.87 -1.94 -1.92 113.55 116.92 2dwu h SER 247 Ca 0.21 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2dwu h SER 247 Cb 0.13 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2dwu h SER 247 CO -0.02 0.79 0.08 0.15 -0.53 0.00 0.00 176.83 177.29 2dwu h PHE 248 N 0.59 0.27 -0.99 2.24 3.57 -0.97 -2.48 116.94 119.16 2dwu h PHE 248 Ca 0.13 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.71 2dwu h PHE 248 Cb 0.38 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 2dwu h PHE 248 CO 0.03 0.30 0.63 0.93 -2.23 0.00 0.00 178.31 177.97 2dwu h GLU 249 N 0.16 1.04 -0.09 1.11 5.08 -1.11 -0.58 114.58 120.19 2dwu h GLU 249 Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2dwu h GLU 249 Cb 0.14 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2dwu h GLU 249 CO -0.01 0.69 -0.01 1.25 -1.00 0.00 0.00 179.01 179.93 2dwu h HIS 250 N 1.07 0.18 -0.38 4.33 2.76 -1.11 -1.39 115.15 120.61 2dwu h HIS 250 Ca 0.46 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.56 2dwu h HIS 250 Cb 0.32 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 2dwu h HIS 250 CO -0.01 0.44 0.09 0.82 -1.30 0.00 0.00 177.93 177.98 2dwu h ILE 251 N -0.14 1.23 -0.66 6.26 2.04 -1.23 -2.26 117.51 122.74 2dwu h ILE 251 Ca 0.02 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.19 2dwu h ILE 251 Cb 0.38 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2dwu h ILE 251 CO 0.01 0.26 0.33 0.00 0.00 0.00 0.00 178.15 178.75 2dwu h ALA 252 N 0.94 0.90 -0.78 1.87 0.00 -1.11 0.20 119.26 121.28 2dwu h ALA 252 Ca 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2dwu h ALA 252 Cb 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2dwu h ALA 252 CO 0.00 -0.05 0.33 1.49 0.00 0.00 0.00 179.25 181.03 2dwu h GLU 253 N 0.59 1.16 -0.32 0.00 4.81 -1.06 0.11 114.58 119.86 2dwu h GLU 253 Ca 0.32 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2dwu h GLU 253 Cb 0.30 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2dwu h GLU 253 CO -0.24 0.92 -0.10 0.00 -0.73 0.00 0.00 179.01 178.86 2dwu h ARG 254 N 1.13 0.64 -0.08 1.92 3.08 -0.59 -0.70 114.38 119.78 2dwu h ARG 254 Ca 0.26 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 2dwu h ARG 254 Cb 0.18 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.21 2dwu h ARG 254 CO -0.03 0.83 -0.52 -1.49 -1.07 0.00 0.00 179.97 177.70 2dwu h TRP 255 N 0.42 0.68 0.00 3.04 4.06 -0.40 -3.35 115.95 120.40 2dwu h TRP 255 Ca 0.08 -0.31 -0.20 0.00 2.06 0.00 0.00 58.89 60.52 2dwu h TRP 255 Cb 0.61 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.63 2dwu h TRP 255 CO 0.05 1.09 -1.18 -0.07 -3.56 0.00 0.00 178.44 174.78 2dwu h LEU 256 N 0.07 0.00 0.00 -4.49 3.38 -0.88 -3.48 115.31 109.91 2dwu h LEU 256 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2dwu h LEU 256 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2dwu h LEU 256 CO 0.11 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2dwu n GLY 257 N 1.39 0.77 3.62 0.83 0.00 -0.27 -5.04 105.19 106.49 2dwu n GLY 257 Ca -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 -0.30 0.34 1.61 -0.85 -1.21 -5.04 117.35 109.90 2dwu s TYR 258 Ca 0.00 0.04 -0.14 0.00 -0.52 0.00 0.00 57.07 56.45 2dwu s TYR 258 Cb 0.00 0.60 -0.09 0.00 0.38 0.00 0.00 41.96 42.86 2dwu s TYR 258 CO 0.00 -0.82 0.75 -0.65 -1.52 0.00 0.00 175.55 173.32 2dwu s GLN 259 N -3.45 3.97 0.26 -3.49 -0.21 -1.26 -4.03 119.66 111.45 2dwu s GLN 259 Ca 0.07 0.65 0.04 0.00 0.02 0.00 0.00 55.36 56.14 2dwu s GLN 259 Cb -0.02 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 2dwu s GLN 259 CO -0.04 0.11 0.01 0.96 -2.12 0.00 0.00 175.29 174.21 2dwu s ILE 260 N -2.07 1.08 -0.31 1.08 -4.36 -1.26 -5.06 121.20 110.29 2dwu s ILE 260 Ca 0.54 -2.03 -0.27 0.00 -0.26 0.00 0.00 60.65 58.63 2dwu s ILE 260 Cb -0.10 -2.46 0.01 0.00 1.25 0.00 0.00 42.46 41.16 2dwu s ILE 260 CO 0.20 -0.23 0.96 -0.55 0.24 0.00 0.00 174.94 175.55 2dwu s SER 261 N -3.35 6.83 -0.06 4.36 0.15 -1.26 -5.02 113.70 115.34 2dwu s SER 261 Ca 0.31 0.90 0.04 0.00 0.70 0.00 0.00 55.95 57.90 2dwu s SER 261 Cb 0.06 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2dwu s SER 261 CO 0.11 -0.77 -0.18 -0.69 1.20 0.00 0.00 173.24 172.91 2dwu s VAL 262 N 3.36 1.51 0.13 4.45 1.01 -1.26 -1.28 120.40 128.32 2dwu s VAL 262 Ca 0.40 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.69 2dwu s VAL 262 Cb -0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2dwu s VAL 262 CO 0.14 0.44 -0.11 -1.81 0.00 0.00 0.00 175.10 173.75 2dwu s ASP 263 N 0.26 1.77 0.50 3.32 1.01 -0.47 -5.01 116.67 118.05 2dwu s ASP 263 Ca -0.10 -0.90 -0.11 0.00 0.71 0.00 0.00 52.55 52.16 2dwu s ASP 263 Cb -0.14 -0.02 -0.06 0.00 1.01 0.00 0.00 42.92 43.71 2dwu s ASP 263 CO 0.04 -0.25 0.89 0.00 0.21 0.00 0.00 175.17 176.06 2dwu s VAL 265 N -2.72 0.04 -0.12 0.00 0.11 -0.59 -4.77 120.40 112.35 2dwu s VAL 265 Ca 0.53 -0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2dwu s VAL 265 Cb -0.10 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2dwu s VAL 265 CO 0.40 -0.19 -0.11 -1.81 -3.33 0.00 0.00 175.10 170.06 2dwu s ASP 266 N -1.17 4.21 0.03 3.54 1.11 -1.26 -4.26 116.67 118.86 2dwu s ASP 266 Ca -0.12 -0.25 0.08 0.00 0.18 0.00 0.00 52.55 52.44 2dwu s ASP 266 Cb -0.04 -1.51 -0.03 0.00 1.07 0.00 0.00 42.92 42.41 2dwu s ASP 266 CO 0.05 0.20 -0.21 -0.76 1.18 0.00 0.00 175.17 175.63 2dwu s LEU 267 N 0.12 2.41 0.58 1.23 1.43 -1.26 -3.85 118.68 119.35 2dwu s LEU 267 Ca -0.05 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 2dwu s LEU 267 Cb -0.15 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2dwu s LEU 267 CO 0.04 0.27 1.05 -2.16 0.23 0.00 0.00 176.35 175.78 2dwu s PRO 268 N -1.22 3.40 0.00 1.29 0.04 -1.26 -5.18 135.00 132.07 2dwu s PRO 268 Ca 0.13 1.18 0.14 0.00 0.04 0.00 0.00 61.00 62.49 2dwu s PRO 268 Cb -0.10 -2.05 0.85 0.00 0.04 0.00 0.00 34.50 33.24 2dwu s PRO 268 CO 0.03 -0.74 1.27 0.28 0.04 0.00 0.00 177.00 177.88