#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ade h ASN 2 N 0.00 -0.06 -3.48 1.61 -0.26 -1.86 -3.36 115.58 108.17 1ade h ASN 2 Ca 0.00 -0.47 -0.70 0.00 -0.56 0.00 0.00 56.30 54.57 1ade h ASN 2 Cb 0.00 0.02 -0.19 0.00 -1.06 0.00 0.00 38.32 37.08 1ade h ASN 2 CO 0.00 0.46 -0.24 0.20 -1.06 0.00 0.00 177.43 176.79 1ade s ASN 3 N -5.63 6.18 -0.06 5.81 0.01 -1.26 -1.48 114.94 118.50 1ade s ASN 3 Ca -0.15 -0.81 0.02 0.00 -0.71 0.00 0.00 52.86 51.20 1ade s ASN 3 Cb 0.01 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 1ade s ASN 3 CO 0.63 -0.60 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.83 1ade s VAL 4 N 2.05 3.39 -0.09 1.60 1.01 -0.51 -1.57 120.40 126.27 1ade s VAL 4 Ca 0.10 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1ade s VAL 4 Cb -0.18 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1ade s VAL 4 CO 0.12 0.59 -0.17 -0.69 0.00 0.00 0.00 175.10 174.95 1ade s VAL 5 N -0.74 2.72 -0.11 2.92 1.01 -0.50 0.45 120.40 126.16 1ade s VAL 5 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1ade s VAL 5 Cb -0.11 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1ade s VAL 5 CO 0.01 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 1ade s VAL 6 N -0.03 1.43 0.02 2.92 1.01 -0.31 0.71 120.40 126.15 1ade s VAL 6 Ca -0.05 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1ade s VAL 6 Cb -0.14 -1.31 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1ade s VAL 6 CO 0.04 0.43 0.45 -1.48 0.00 0.00 0.00 175.10 174.54 1ade s LEU 7 N 1.03 0.27 0.32 3.92 0.05 -0.95 -1.37 118.68 121.94 1ade s LEU 7 Ca -0.06 0.16 -0.28 0.00 0.05 0.00 0.00 54.13 53.99 1ade s LEU 7 Cb -0.15 1.81 -0.09 0.00 -2.05 0.00 0.00 46.19 45.71 1ade s LEU 7 CO -0.02 -0.61 1.14 -0.83 -0.55 0.00 0.00 176.35 175.48 1ade s GLY 8 N -1.72 3.00 0.00 -3.48 0.00 -1.26 -1.00 107.32 102.86 1ade s GLY 8 Ca -0.08 0.95 0.23 0.00 0.00 0.00 0.00 44.72 45.82 1ade s GLY 8 CO 0.01 1.54 1.20 -1.30 0.00 0.00 0.00 173.10 174.55 1ade n THR 9 N 0.86 0.00 0.00 0.90 -2.24 -0.64 -2.39 114.28 110.78 1ade n THR 9 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ade n THR 9 Cb 0.45 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1ade n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ade n GLN 10 N -1.17 0.00 -1.43 -0.78 6.02 -1.26 -4.43 117.38 114.33 1ade n GLN 10 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.83 1ade n GLN 10 Cb 0.35 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.71 1ade n GLN 10 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1ade n TRP 11 N 0.00 2.50 0.00 1.08 8.01 -1.26 -2.16 117.44 125.61 1ade n TRP 11 Ca 0.00 -2.31 0.00 0.00 -1.31 0.00 0.00 57.50 53.88 1ade n TRP 11 Cb 0.00 -0.79 0.00 0.00 -2.01 0.00 0.00 31.31 28.51 1ade n TRP 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ade n GLY 12 N -0.92 -0.41 2.33 6.99 0.00 -1.26 -4.70 105.19 107.22 1ade n GLY 12 Ca 0.49 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 1ade n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ade n ASP 13 N -1.33 -4.96 0.17 1.61 8.00 -1.26 -4.89 116.55 113.88 1ade n ASP 13 Ca 0.00 0.02 0.06 0.00 0.71 0.00 0.00 54.79 55.58 1ade n ASP 13 Cb 0.00 -4.05 0.10 0.00 -0.02 0.00 0.00 41.12 37.15 1ade n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ade h GLU 14 N 0.00 0.00 0.00 -1.24 3.07 -1.93 -3.48 114.58 111.00 1ade h GLU 14 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1ade h GLU 14 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1ade h GLU 14 CO 0.47 0.33 0.00 0.41 -1.40 0.00 0.00 179.01 178.82 1ade n GLY 15 N 1.10 1.09 0.12 -3.84 0.00 -1.26 -4.38 105.19 98.02 1ade n GLY 15 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1ade n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ade n LYS 16 N -0.06 0.18 0.37 1.61 4.81 -1.26 -3.94 118.16 119.87 1ade n LYS 16 Ca 0.00 0.41 -0.19 0.00 -0.87 0.00 0.00 58.31 57.66 1ade n LYS 16 Cb 0.00 -1.84 -0.09 0.00 0.02 0.00 0.00 35.03 33.12 1ade n LYS 16 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ade h GLY 17 N 2.29 -1.18 0.94 3.14 0.00 -1.95 -1.32 103.07 105.00 1ade h GLY 17 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.84 1ade h GLY 17 CO 0.00 -0.40 0.39 1.70 0.00 0.00 0.00 176.54 178.23 1ade h LYS 18 N -1.06 0.76 -0.59 4.80 3.64 -1.95 -2.68 116.57 119.50 1ade h LYS 18 Ca -0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1ade h LYS 18 Cb 0.86 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1ade h LYS 18 CO 0.06 0.51 0.34 0.82 -2.27 0.00 0.00 179.45 178.91 1ade h ILE 19 N 0.79 1.18 -0.07 2.00 1.08 -1.73 -1.56 117.51 119.20 1ade h ILE 19 Ca 0.23 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1ade h ILE 19 Cb -0.04 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 1ade h ILE 19 CO -0.07 0.20 -0.12 0.58 -0.69 0.00 0.00 178.15 178.04 1ade h VAL 20 N 0.80 0.67 -0.93 1.67 2.07 -1.07 -1.89 116.25 117.58 1ade h VAL 20 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 1ade h VAL 20 Cb 0.01 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1ade h VAL 20 CO -0.04 0.00 0.58 0.44 0.02 0.00 0.00 177.57 178.57 1ade h ASP 21 N -0.17 0.88 0.04 0.57 3.32 -1.22 -1.91 116.42 117.94 1ade h ASP 21 Ca 0.07 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1ade h ASP 21 Cb 0.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1ade h ASP 21 CO -0.17 0.52 -0.07 0.25 -1.72 0.00 0.00 179.24 178.05 1ade h LEU 22 N 0.99 -0.18 -0.87 1.55 5.85 -0.74 -2.45 115.31 119.46 1ade h LEU 22 Ca 0.43 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1ade h LEU 22 Cb 0.30 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ade h LEU 22 CO -0.21 -0.10 0.00 -0.07 -0.34 0.00 0.00 178.44 177.71 1ade h LEU 23 N -0.14 0.00 -2.21 2.25 3.38 -0.84 -2.50 115.31 115.25 1ade h LEU 23 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ade h LEU 23 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ade h LEU 23 CO -0.04 0.00 -0.03 0.74 0.09 0.00 0.00 178.44 179.20 1ade h THR 24 N 0.00 0.14 -0.22 0.22 2.02 -0.85 -1.96 112.91 112.26 1ade h THR 24 Ca 0.00 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 1ade h THR 24 Cb 0.42 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1ade h THR 24 CO 0.00 0.03 -0.11 -0.33 0.37 0.00 0.00 175.52 175.48 1ade h GLU 25 N 0.00 0.35 0.00 6.66 5.08 -1.53 -3.21 114.58 121.92 1ade h GLU 25 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ade h GLU 25 Cb 0.25 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ade h GLU 25 CO 0.00 0.47 -1.62 0.54 -1.00 0.00 0.00 179.01 177.40 1ade n ARG 26 N -4.25 0.42 -2.25 2.33 1.74 -1.06 -5.00 116.66 108.58 1ade n ARG 26 Ca -0.00 -0.12 -0.40 0.00 -0.77 0.00 0.00 57.85 56.56 1ade n ARG 26 Cb 0.28 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 1ade n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ade s ALA 27 N -2.93 3.34 -0.05 7.54 0.00 -0.76 -4.74 121.76 124.15 1ade s ALA 27 Ca -0.05 1.07 0.18 0.00 0.00 0.00 0.00 51.96 53.17 1ade s ALA 27 Cb 0.09 -3.41 -0.27 0.00 0.00 0.00 0.00 23.12 19.52 1ade s ALA 27 CO 0.56 -0.50 0.34 0.36 0.00 0.00 0.00 175.76 176.52 1ade n LYS 28 N 0.59 0.68 -4.60 0.00 2.85 0.16 -4.80 118.16 113.04 1ade n LYS 28 Ca 0.01 -0.14 -0.22 0.00 -1.05 0.00 0.00 58.31 56.92 1ade n LYS 28 Cb 0.44 -1.44 -0.15 0.00 -0.65 0.00 0.00 35.03 33.23 1ade n LYS 28 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1ade s TYR 29 N -3.13 1.24 -0.09 5.58 2.02 -1.17 -0.36 117.35 121.44 1ade s TYR 29 Ca -0.07 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1ade s TYR 29 Cb 0.11 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 1ade s TYR 29 CO 0.76 -0.01 -0.12 0.08 -1.57 0.00 0.00 175.55 174.69 1ade s VAL 30 N -0.39 1.25 -0.10 0.71 1.01 -0.43 -1.35 120.40 121.10 1ade s VAL 30 Ca 0.05 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1ade s VAL 30 Cb -0.06 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1ade s VAL 30 CO -0.00 0.39 -0.15 -0.69 0.00 0.00 0.00 175.10 174.64 1ade s VAL 31 N 1.03 1.49 -0.03 2.92 1.01 -0.20 0.01 120.40 126.63 1ade s VAL 31 Ca -0.07 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 1ade s VAL 31 Cb -0.15 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1ade s VAL 31 CO -0.01 0.44 0.52 -0.13 0.00 0.00 0.00 175.10 175.92 1ade s ARG 32 N 0.90 4.24 0.00 2.72 1.81 -0.39 -0.48 118.95 127.75 1ade s ARG 32 Ca -0.08 0.58 0.00 0.00 -1.72 0.00 0.00 55.73 54.51 1ade s ARG 32 Cb -0.15 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.01 1ade s ARG 32 CO -0.00 0.38 0.16 2.48 -0.68 0.00 0.00 175.30 177.64 1ade n TYR 33 N 2.79 0.00 -3.83 -0.53 4.11 -1.26 -1.09 117.16 117.35 1ade n TYR 33 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.72 1ade n TYR 33 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.81 1ade n TYR 33 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 1ade s GLN 34 N -0.24 1.32 2.66 -3.48 1.03 -1.26 -3.89 119.66 115.81 1ade s GLN 34 Ca 0.00 -0.99 0.00 0.00 0.04 0.00 0.00 55.36 54.41 1ade s GLN 34 Cb 0.00 0.47 0.00 0.00 0.03 0.00 0.00 33.01 33.51 1ade s GLN 34 CO 0.00 -0.54 0.00 0.41 -2.54 0.00 0.00 175.29 172.62 1ade n GLY 35 N -0.30 -0.48 0.00 2.60 0.00 -1.26 -4.59 105.19 101.15 1ade n GLY 35 Ca -0.09 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1ade n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ade n GLY 36 N 0.00 4.69 2.59 -0.02 0.00 -1.26 -1.27 105.19 109.92 1ade n GLY 36 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1ade n GLY 36 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ade n HIS 37 N 0.00 2.90 -2.02 1.61 1.44 -1.26 -4.03 115.22 113.86 1ade n HIS 37 Ca 0.00 -2.94 0.00 0.00 -2.01 0.00 0.00 57.72 52.77 1ade n HIS 37 Cb 0.00 -2.27 0.00 0.00 0.12 0.00 0.00 29.99 27.84 1ade n HIS 37 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1ade n ASN 38 N 4.04 0.03 -0.06 4.39 6.94 -1.13 -4.82 115.26 124.65 1ade n ASN 38 Ca 0.59 -1.86 0.02 0.00 -0.02 0.00 0.00 54.58 53.31 1ade n ASN 38 Cb 0.31 -0.17 0.34 0.00 -2.36 0.00 0.00 39.78 37.89 1ade n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ade h ALA 39 N 0.04 1.54 -4.75 -2.53 0.00 -1.15 -3.47 119.26 108.93 1ade h ALA 39 Ca -0.01 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.44 1ade h ALA 39 Cb 1.36 -0.20 0.09 0.00 0.00 0.00 0.00 17.79 19.04 1ade h ALA 39 CO 0.00 0.38 -0.59 0.41 0.00 0.00 0.00 179.25 179.45 1ade n GLY 40 N -1.28 -0.43 3.52 0.00 0.00 -1.22 -4.94 105.19 100.84 1ade n GLY 40 Ca 0.04 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ade n GLY 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ade s HIS 41 N -3.21 2.83 0.23 1.61 2.46 0.40 -4.90 115.29 114.72 1ade s HIS 41 Ca 0.40 -1.21 -0.30 0.00 0.47 0.00 0.00 55.06 54.42 1ade s HIS 41 Cb -0.18 -4.53 -0.09 0.00 -0.13 0.00 0.00 32.58 27.65 1ade s HIS 41 CO 0.49 -1.73 1.23 -0.08 -2.47 0.00 0.00 174.74 172.19 1ade s THR 42 N 3.85 3.32 0.19 0.89 -1.32 -1.26 -1.59 115.64 119.71 1ade s THR 42 Ca 0.42 1.16 -0.19 0.00 -1.21 0.00 0.00 61.69 61.87 1ade s THR 42 Cb -0.01 -3.74 0.04 0.00 -1.51 0.00 0.00 72.50 67.27 1ade s THR 42 CO -0.07 0.21 0.55 -1.48 -2.21 0.00 0.00 174.62 171.62 1ade s LEU 43 N -0.65 -0.09 -0.43 9.08 0.05 0.11 -4.97 118.68 121.78 1ade s LEU 43 Ca 0.52 -0.37 -0.12 0.00 0.05 0.00 0.00 54.13 54.21 1ade s LEU 43 Cb -0.35 2.29 0.06 0.00 -2.05 0.00 0.00 46.19 46.15 1ade s LEU 43 CO 0.40 -1.05 0.30 -0.69 -0.55 0.00 0.00 176.35 174.76 1ade s VAL 44 N -3.84 4.72 -0.26 1.48 1.01 -1.26 0.74 120.40 122.98 1ade s VAL 44 Ca 0.07 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 1ade s VAL 44 Cb -0.01 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1ade s VAL 44 CO -0.05 -0.46 0.05 -0.63 0.00 0.00 0.00 175.10 174.01 1ade s ILE 45 N 1.54 4.06 -1.24 2.22 1.01 -0.18 -4.66 121.20 123.96 1ade s ILE 45 Ca 0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1ade s ILE 45 Cb -0.22 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1ade s ILE 45 CO 0.05 0.29 0.68 -3.20 0.00 0.00 0.00 174.94 172.76 1ade n ASN 46 N 4.89 -3.12 0.00 3.58 4.05 -1.26 -3.18 115.26 120.22 1ade n ASN 46 Ca -0.16 -0.95 0.00 0.00 0.45 0.00 0.00 54.58 53.92 1ade n ASN 46 Cb 0.50 -3.57 0.00 0.00 1.23 0.00 0.00 39.78 37.94 1ade n ASN 46 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ade n GLY 47 N -1.70 2.19 3.84 8.20 0.00 -1.26 -5.00 105.19 111.45 1ade n GLY 47 Ca -0.20 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 1ade n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ade s GLU 48 N 0.00 4.06 -0.14 1.61 2.02 -1.19 -4.97 118.70 120.08 1ade s GLU 48 Ca 0.00 0.76 -0.25 0.00 0.02 0.00 0.00 54.97 55.50 1ade s GLU 48 Cb 0.00 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 31.81 1ade s GLU 48 CO 0.00 0.13 0.82 0.21 0.02 0.00 0.00 175.26 176.44 1ade s LYS 49 N -2.98 4.35 0.25 1.61 2.20 -1.26 -1.01 119.74 122.90 1ade s LYS 49 Ca 0.55 1.03 0.01 0.00 -0.36 0.00 0.00 55.97 57.20 1ade s LYS 49 Cb -0.10 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1ade s LYS 49 CO 0.17 -0.23 0.12 -0.08 -0.36 0.00 0.00 175.35 174.96 1ade s THR 50 N 1.81 0.39 -0.07 3.43 -1.32 0.23 -4.96 115.64 115.15 1ade s THR 50 Ca 0.39 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.91 1ade s THR 50 Cb -0.17 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1ade s THR 50 CO 0.15 0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.68 1ade s VAL 51 N -3.82 1.62 -0.17 5.08 1.01 -1.26 0.04 120.40 122.89 1ade s VAL 51 Ca 0.38 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1ade s VAL 51 Cb 0.07 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1ade s VAL 51 CO 0.14 0.46 -0.08 -0.76 0.00 0.00 0.00 175.10 174.86 1ade s LEU 52 N 0.30 2.85 -0.12 3.92 1.43 -0.62 -4.95 118.68 121.49 1ade s LEU 52 Ca -0.12 -0.33 0.13 0.00 -1.03 0.00 0.00 54.13 52.77 1ade s LEU 52 Cb -0.15 -1.68 -0.18 0.00 0.03 0.00 0.00 46.19 44.21 1ade s LEU 52 CO 0.05 0.09 0.09 1.41 0.23 0.00 0.00 176.35 178.22 1ade n HIS 53 N 4.08 0.00 -0.01 0.29 8.25 -1.26 -0.46 115.22 126.12 1ade n HIS 53 Ca -0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.23 1ade n HIS 53 Cb 0.52 -0.62 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 1ade n HIS 53 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1ade n LEU 54 N -2.43 1.10 -4.70 2.41 7.94 -1.26 -0.89 117.00 119.17 1ade n LEU 54 Ca -0.19 0.16 -0.42 0.00 -1.11 0.00 0.00 56.01 54.45 1ade n LEU 54 Cb 0.85 -0.38 -0.03 0.00 0.53 0.00 0.00 43.42 44.39 1ade n LEU 54 CO 0.29 -0.36 1.08 -0.63 -1.11 0.00 0.00 177.39 176.67 1ade s ILE 55 N -2.22 3.65 0.77 1.96 1.01 -1.26 -4.96 121.20 120.15 1ade s ILE 55 Ca -0.09 1.10 -0.14 0.00 0.00 0.00 0.00 60.65 61.51 1ade s ILE 55 Cb 0.02 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.85 1ade s ILE 55 CO 0.13 0.03 1.21 -2.65 0.00 0.00 0.00 174.94 173.66 1ade n PRO 56 N 4.91 0.40 0.31 2.79 -0.02 -1.26 -4.88 135.00 137.25 1ade n PRO 56 Ca 0.12 0.21 0.20 0.00 -2.02 0.00 0.00 63.50 62.01 1ade n PRO 56 Cb 0.44 -2.45 0.99 0.00 -0.02 0.00 0.00 33.50 32.45 1ade n PRO 56 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ade h SER 57 N -0.57 0.00 0.24 2.55 0.87 -1.95 -2.09 113.55 112.60 1ade h SER 57 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1ade h SER 57 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1ade h SER 57 CO 0.47 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1ade n GLY 58 N -0.66 -0.72 0.21 5.77 0.00 -1.26 -1.95 105.19 106.58 1ade n GLY 58 Ca -0.02 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.12 1ade n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ade h ILE 59 N 0.00 0.00 0.00 -0.61 6.09 -1.72 -2.28 117.51 118.99 1ade h ILE 59 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1ade h ILE 59 Cb 0.12 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.34 1ade h ILE 59 CO 0.00 0.00 -0.19 -0.07 -3.07 0.00 0.00 178.15 174.82 1ade h LEU 60 N 0.00 0.00 -9.64 2.19 3.38 -1.65 -3.46 115.31 106.13 1ade h LEU 60 Ca 0.00 -0.05 -0.63 0.00 0.09 0.00 0.00 57.88 57.29 1ade h LEU 60 Cb 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1ade h LEU 60 CO 0.00 0.02 -0.33 -0.60 0.09 0.00 0.00 178.44 177.62 1ade s ARG 61 N -3.14 3.73 0.08 1.13 3.52 -0.86 -5.03 118.95 118.37 1ade s ARG 61 Ca 0.09 0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.63 1ade s ARG 61 Cb 0.11 -3.22 -0.07 0.00 -1.56 0.00 0.00 34.95 30.21 1ade s ARG 61 CO 0.65 0.70 1.35 0.93 -0.81 0.00 0.00 175.30 178.12 1ade h GLU 62 N 4.95 -0.28 -0.87 5.12 3.07 -1.89 -3.17 114.58 121.52 1ade h GLU 62 Ca -0.52 0.02 -0.45 0.00 -0.50 0.00 0.00 59.36 57.90 1ade h GLU 62 Cb 1.22 0.06 -0.27 0.00 -0.84 0.00 0.00 28.75 28.93 1ade h GLU 62 CO 0.61 -0.19 0.50 0.09 -1.40 0.00 0.00 179.01 178.62 1ade n ASN 63 N -4.39 3.57 -4.79 1.42 3.02 -1.26 -4.94 115.26 107.88 1ade n ASN 63 Ca -0.03 -3.65 -0.36 0.00 -0.03 0.00 0.00 54.58 50.51 1ade n ASN 63 Cb 0.22 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.52 1ade n ASN 63 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ade s VAL 64 N -3.33 5.03 -0.26 2.41 1.01 -1.20 -4.89 120.40 119.17 1ade s VAL 64 Ca 0.55 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 1ade s VAL 64 Cb 0.47 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1ade s VAL 64 CO 0.08 0.61 0.03 -0.89 0.00 0.00 0.00 175.10 174.93 1ade s THR 65 N -0.90 3.77 -0.03 3.92 2.01 0.52 -4.90 115.64 120.04 1ade s THR 65 Ca 0.14 -0.58 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 1ade s THR 65 Cb -0.12 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1ade s THR 65 CO 0.03 0.23 0.52 -0.44 -0.69 0.00 0.00 174.62 174.27 1ade s SER 66 N 1.50 6.87 0.01 3.53 0.01 -0.36 -1.31 113.70 123.95 1ade s SER 66 Ca 0.04 1.04 0.04 0.00 1.31 0.00 0.00 55.95 58.38 1ade s SER 66 Cb -0.16 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1ade s SER 66 CO 0.01 0.13 -0.14 -0.63 0.41 0.00 0.00 173.24 173.02 1ade s ILE 67 N -0.20 1.10 -0.34 1.44 1.01 0.10 -1.48 121.20 122.83 1ade s ILE 67 Ca 0.28 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1ade s ILE 67 Cb -0.17 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.42 1ade s ILE 67 CO 0.15 0.21 0.09 -0.63 0.00 0.00 0.00 174.94 174.76 1ade s ILE 68 N -0.49 3.34 1.08 2.92 1.01 -0.75 -1.26 121.20 127.04 1ade s ILE 68 Ca 0.04 -1.46 -0.16 0.00 0.00 0.00 0.00 60.65 59.06 1ade s ILE 68 Cb -0.06 -3.00 0.23 0.00 0.01 0.00 0.00 42.46 39.64 1ade s ILE 68 CO 0.00 -0.28 1.15 -0.83 0.00 0.00 0.00 174.94 174.98 1ade s GLY 69 N 1.46 1.61 0.54 6.18 0.00 -0.25 -2.46 107.32 114.41 1ade s GLY 69 Ca -0.01 -0.83 0.31 0.00 0.00 0.00 0.00 44.72 44.19 1ade s GLY 69 CO -0.01 -0.06 2.07 3.45 0.00 0.00 0.00 173.10 178.55 1ade h ASN 70 N -2.12 0.00 0.46 1.64 -1.07 -1.82 -2.72 115.58 109.95 1ade h ASN 70 Ca -0.47 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 55.89 1ade h ASN 70 Cb 1.30 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.55 1ade h ASN 70 CO 0.44 0.09 -0.02 1.23 0.07 0.00 0.00 177.43 179.24 1ade h GLY 71 N 1.15 0.00 -4.57 9.14 0.00 -1.35 -3.39 103.07 104.05 1ade h GLY 71 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1ade h GLY 71 CO 0.01 0.00 0.18 0.14 0.00 0.00 0.00 176.54 176.87 1ade s VAL 72 N -3.97 4.76 -0.23 4.60 1.01 -1.03 -4.11 120.40 121.44 1ade s VAL 72 Ca -0.02 1.67 -0.24 0.00 0.00 0.00 0.00 61.98 63.39 1ade s VAL 72 Cb 0.11 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1ade s VAL 72 CO 0.49 0.33 0.81 0.68 0.00 0.00 0.00 175.10 177.40 1ade s VAL 73 N 0.14 4.86 -0.37 2.92 -7.23 -0.39 -3.96 120.40 116.37 1ade s VAL 73 Ca 0.40 1.53 -0.18 0.00 -1.81 0.00 0.00 61.98 61.91 1ade s VAL 73 Cb -0.20 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.64 1ade s VAL 73 CO 0.23 -0.05 0.52 -0.22 -0.31 0.00 0.00 175.10 175.28 1ade s LEU 74 N 2.69 4.41 -0.45 1.32 2.96 0.30 -4.47 118.68 125.44 1ade s LEU 74 Ca 0.34 -0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.97 1ade s LEU 74 Cb -0.15 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 43.99 1ade s LEU 74 CO 0.08 -0.53 0.44 -0.55 -1.32 0.00 0.00 176.35 174.48 1ade s SER 75 N 1.79 6.18 0.34 3.68 0.15 -1.26 -1.31 113.70 123.27 1ade s SER 75 Ca 0.19 -0.90 0.05 0.00 0.70 0.00 0.00 55.95 55.98 1ade s SER 75 Cb -0.15 -2.22 0.68 0.00 -1.71 0.00 0.00 66.02 62.62 1ade s SER 75 CO 0.14 -0.63 1.91 -0.65 1.20 0.00 0.00 173.24 175.21 1ade h PRO 76 N 8.77 0.82 -0.28 5.44 0.11 -1.98 -0.81 132.00 144.07 1ade h PRO 76 Ca -0.27 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1ade h PRO 76 Cb 1.11 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1ade h PRO 76 CO 0.84 0.54 0.08 0.00 -0.21 0.00 0.00 178.00 179.25 1ade h ALA 77 N 1.57 0.37 -0.58 -0.75 0.00 -1.93 0.11 119.26 118.05 1ade h ALA 77 Ca 0.38 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ade h ALA 77 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ade h ALA 77 CO -0.15 0.01 0.16 0.00 0.00 0.00 0.00 179.25 179.27 1ade h ALA 78 N 0.92 0.76 -0.22 0.00 0.00 -1.77 -1.81 119.26 117.14 1ade h ALA 78 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ade h ALA 78 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ade h ALA 78 CO -0.00 0.45 0.13 1.25 0.00 0.00 0.00 179.25 181.08 1ade h LEU 79 N 0.83 0.22 -0.95 0.00 7.12 -0.93 -2.48 115.31 119.13 1ade h LEU 79 Ca 0.19 -0.00 0.02 0.00 0.13 0.00 0.00 57.88 58.22 1ade h LEU 79 Cb 0.31 -0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.34 1ade h LEU 79 CO -0.00 0.16 0.62 -0.03 -0.13 0.00 0.00 178.44 179.06 1ade h MET 80 N 0.27 1.20 0.68 1.25 4.05 -0.65 -0.73 114.93 121.00 1ade h MET 80 Ca 0.08 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1ade h MET 80 Cb -0.02 -0.27 0.01 0.00 -0.80 0.00 0.00 31.60 30.52 1ade h MET 80 CO -0.03 0.79 -0.33 -0.22 0.23 0.00 0.00 176.91 177.36 1ade h LYS 81 N 1.24 -0.89 -0.78 0.39 3.64 -1.02 -1.37 116.57 117.79 1ade h LYS 81 Ca 0.36 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.94 1ade h LYS 81 Cb -0.07 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1ade h LYS 81 CO -0.10 -0.59 0.51 0.93 -2.27 0.00 0.00 179.45 177.93 1ade h GLU 82 N -0.95 0.50 0.79 1.90 5.08 -1.37 -0.78 114.58 119.76 1ade h GLU 82 Ca -0.09 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1ade h GLU 82 Cb 0.70 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1ade h GLU 82 CO 0.15 0.33 -0.38 1.98 -1.00 0.00 0.00 179.01 180.10 1ade h MET 83 N 0.52 -1.02 -0.40 2.33 4.05 -0.97 -0.95 114.93 118.48 1ade h MET 83 Ca 0.38 0.07 0.07 0.00 -0.28 0.00 0.00 59.70 59.94 1ade h MET 83 Cb 0.74 0.23 -0.09 0.00 -0.80 0.00 0.00 31.60 31.68 1ade h MET 83 CO -0.14 -0.68 -0.40 0.87 0.23 0.00 0.00 176.91 176.80 1ade h LYS 84 N -1.07 -0.30 -0.65 0.39 6.56 -0.52 0.30 116.57 121.28 1ade h LYS 84 Ca -0.11 0.02 0.13 0.00 -1.06 0.00 0.00 60.65 59.63 1ade h LYS 84 Cb 0.81 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 32.45 1ade h LYS 84 CO 0.18 -0.20 0.15 0.93 -2.06 0.00 0.00 179.45 178.45 1ade h GLU 85 N -0.31 0.27 -0.32 3.15 5.08 -1.16 0.07 114.58 121.35 1ade h GLU 85 Ca 0.15 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1ade h GLU 85 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ade h GLU 85 CO -0.56 0.18 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.18 1ade h LEU 86 N 0.27 0.81 -0.96 1.33 3.38 0.45 -2.85 115.31 117.75 1ade h LEU 86 Ca 0.35 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ade h LEU 86 Cb 0.55 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1ade h LEU 86 CO -0.44 1.09 0.58 -0.33 0.09 0.00 0.00 178.44 179.44 1ade h GLU 87 N 0.63 1.29 -0.48 1.13 4.39 0.59 -1.29 114.58 120.84 1ade h GLU 87 Ca 0.06 -0.11 0.10 0.00 0.34 0.00 0.00 59.36 59.74 1ade h GLU 87 Cb 0.93 -0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 1ade h GLU 87 CO 0.08 0.90 -0.13 -0.44 -1.16 0.00 0.00 179.01 178.27 1ade h ASP 88 N 1.32 -0.47 0.00 1.42 5.19 -0.79 0.30 116.42 123.40 1ade h ASP 88 Ca 0.34 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1ade h ASP 88 Cb -0.07 0.30 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1ade h ASP 88 CO -0.07 -0.16 0.00 0.54 -3.12 0.00 0.00 179.24 176.43 1ade n ARG 89 N -5.35 0.76 -1.73 3.56 3.00 -0.95 -4.84 116.66 111.11 1ade n ARG 89 Ca 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.86 1ade n ARG 89 Cb 0.26 -1.03 -0.00 0.00 0.00 0.00 0.00 32.46 31.69 1ade n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ade n GLY 90 N 0.25 0.37 3.64 -0.13 0.00 0.11 -5.02 105.19 104.40 1ade n GLY 90 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1ade n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ade s ILE 91 N -2.10 5.12 -1.33 -0.61 -1.09 -0.53 -5.00 121.20 115.66 1ade s ILE 91 Ca 0.00 0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 59.07 1ade s ILE 91 Cb 0.00 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1ade s ILE 91 CO 0.00 0.15 1.98 -0.81 -1.23 0.00 0.00 174.94 175.03 1ade n PRO 92 N 5.14 2.85 0.03 2.79 -0.04 -1.26 -4.00 135.00 140.51 1ade n PRO 92 Ca -0.06 -2.84 -0.10 0.00 -0.04 0.00 0.00 63.50 60.46 1ade n PRO 92 Cb 0.50 -3.38 -0.04 0.00 -0.04 0.00 0.00 33.50 30.54 1ade n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ade h VAL 93 N 4.82 0.73 0.00 0.52 2.07 -1.92 -2.63 116.25 119.84 1ade h VAL 93 Ca 0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.01 1ade h VAL 93 Cb 0.76 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ade h VAL 93 CO 1.67 0.00 0.33 0.03 0.02 0.00 0.00 177.57 179.62 1ade h ARG 94 N -0.15 0.00 -0.01 1.57 3.08 -1.92 0.69 114.38 117.65 1ade h ARG 94 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ade h ARG 94 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1ade h ARG 94 CO -0.15 0.00 -0.21 -0.85 -1.07 0.00 0.00 179.97 177.69 1ade n GLU 95 N -2.36 1.73 -0.00 0.04 0.28 -1.00 -4.52 120.64 114.81 1ade n GLU 95 Ca -0.01 -0.79 0.02 0.00 -0.16 0.00 0.00 57.16 56.22 1ade n GLU 95 Cb 0.36 -1.17 0.02 0.00 1.43 0.00 0.00 31.44 32.07 1ade n GLU 95 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ade n ARG 96 N -0.04 -0.26 -5.14 3.44 1.74 0.19 -5.01 116.66 111.57 1ade n ARG 96 Ca 0.06 -0.80 -0.30 0.00 -0.77 0.00 0.00 57.85 56.04 1ade n ARG 96 Cb 0.27 -1.09 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 1ade n ARG 96 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1ade s LEU 97 N -0.40 2.03 0.09 0.55 2.96 -0.90 -1.22 118.68 121.78 1ade s LEU 97 Ca 0.05 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1ade s LEU 97 Cb 0.04 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1ade s LEU 97 CO 0.06 0.24 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.37 1ade s LEU 98 N -0.22 2.28 0.16 -0.68 1.43 -0.55 -4.82 118.68 116.28 1ade s LEU 98 Ca -0.00 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1ade s LEU 98 Cb -0.12 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1ade s LEU 98 CO 0.02 0.04 -0.18 -0.76 0.23 0.00 0.00 176.35 175.70 1ade s LEU 99 N -1.76 2.44 -0.00 1.79 1.43 0.50 -1.82 118.68 121.26 1ade s LEU 99 Ca 0.04 -0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 1ade s LEU 99 Cb -0.10 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 1ade s LEU 99 CO 0.03 -0.05 0.37 -0.55 0.23 0.00 0.00 176.35 176.39 1ade s SER 100 N -2.68 6.74 0.30 2.29 0.15 -1.03 -1.73 113.70 117.73 1ade s SER 100 Ca 0.15 0.88 0.24 0.00 0.70 0.00 0.00 55.95 57.92 1ade s SER 100 Cb -0.05 -2.22 1.08 0.00 -1.71 0.00 0.00 66.02 63.12 1ade s SER 100 CO 0.06 0.32 1.72 -1.84 1.20 0.00 0.00 173.24 174.69 1ade n GLU 101 N 1.71 0.19 -0.01 5.44 0.28 -1.26 -2.51 120.64 124.48 1ade n GLU 101 Ca -0.14 0.51 0.13 0.00 -0.16 0.00 0.00 57.16 57.50 1ade n GLU 101 Cb 0.53 -1.93 0.34 0.00 1.43 0.00 0.00 31.44 31.81 1ade n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ade n ALA 102 N -1.79 2.52 -1.89 -1.84 0.00 -1.26 -0.39 120.51 115.86 1ade n ALA 102 Ca 0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1ade n ALA 102 Cb 0.16 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1ade n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ade s PRO 104 N 0.61 4.45 -0.09 0.00 0.02 -1.25 -0.98 135.00 137.76 1ade s PRO 104 Ca 0.67 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.06 1ade s PRO 104 Cb -0.44 -2.83 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 1ade s PRO 104 CO 0.36 0.11 0.42 -0.51 -0.33 0.00 0.00 177.00 177.05 1ade s LEU 105 N -2.07 4.33 -0.27 -5.54 1.43 -0.28 0.11 118.68 116.40 1ade s LEU 105 Ca 0.51 0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 54.31 1ade s LEU 105 Cb -0.24 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1ade s LEU 105 CO 0.30 0.12 0.15 -0.63 0.23 0.00 0.00 176.35 176.52 1ade s ILE 106 N 0.08 5.00 0.44 -0.59 1.01 -0.43 -4.77 121.20 121.95 1ade s ILE 106 Ca 0.23 0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.00 1ade s ILE 106 Cb -0.15 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1ade s ILE 106 CO 0.10 0.29 0.01 -0.76 0.00 0.00 0.00 174.94 174.58 1ade s LEU 107 N 1.63 2.68 0.28 2.97 1.43 -1.26 -4.22 118.68 122.19 1ade s LEU 107 Ca 0.07 -1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 51.63 1ade s LEU 107 Cb -0.15 -0.83 0.46 0.00 0.03 0.00 0.00 46.19 45.70 1ade s LEU 107 CO 0.08 -0.58 1.56 0.47 0.23 0.00 0.00 176.35 178.11 1ade n ASP 108 N -1.05 -0.36 0.30 2.29 9.92 -1.26 0.37 116.55 126.76 1ade n ASP 108 Ca -0.09 1.72 0.18 0.00 -0.53 0.00 0.00 54.79 56.07 1ade n ASP 108 Cb 0.67 -0.52 1.02 0.00 -0.64 0.00 0.00 41.12 41.65 1ade n ASP 108 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1ade h TYR 109 N 0.00 0.00 -0.16 1.24 -0.00 -1.97 -1.26 116.97 114.81 1ade h TYR 109 Ca 0.48 0.00 -0.22 0.00 -0.00 0.00 0.00 58.73 58.99 1ade h TYR 109 Cb 0.73 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.47 1ade h TYR 109 CO -0.76 0.00 -0.76 0.45 -0.00 0.00 0.00 178.16 177.08 1ade h HIS 110 N 0.00 1.08 -0.49 0.10 3.86 -0.44 -0.99 115.15 118.26 1ade h HIS 110 Ca 0.01 -0.47 -0.10 0.00 -1.16 0.00 0.00 60.37 58.65 1ade h HIS 110 Cb 0.09 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1ade h HIS 110 CO 0.00 1.30 -0.09 0.28 0.86 0.00 0.00 177.93 180.28 1ade h VAL 111 N 0.55 1.27 -0.43 2.45 2.07 -1.26 -2.20 116.25 118.70 1ade h VAL 111 Ca -0.05 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.30 1ade h VAL 111 Cb 1.39 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1ade h VAL 111 CO 0.16 0.42 0.17 0.00 0.02 0.00 0.00 177.57 178.34 1ade h ALA 112 N 0.90 0.52 0.05 1.67 0.00 -1.15 -0.55 119.26 120.69 1ade h ALA 112 Ca 0.13 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ade h ALA 112 Cb 0.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ade h ALA 112 CO 0.04 -0.22 -0.09 -0.07 0.00 0.00 0.00 179.25 178.92 1ade h LEU 113 N 0.34 -0.24 -0.43 0.00 4.07 -1.02 -0.06 115.31 117.97 1ade h LEU 113 Ca 0.20 0.03 0.06 0.00 0.08 0.00 0.00 57.88 58.25 1ade h LEU 113 Cb 0.17 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.95 1ade h LEU 113 CO -0.19 -0.13 0.10 0.44 -1.08 0.00 0.00 178.44 177.58 1ade h ASP 114 N -0.17 0.04 0.03 -0.43 5.19 -0.83 0.14 116.42 120.38 1ade h ASP 114 Ca 0.02 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 1ade h ASP 114 Cb 0.19 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1ade h ASP 114 CO -0.06 0.06 -0.14 0.78 -3.12 0.00 0.00 179.24 176.76 1ade h ASN 115 N 0.24 0.23 0.42 6.45 2.35 -0.80 -1.21 115.58 123.26 1ade h ASN 115 Ca 0.21 -0.05 -0.27 0.00 -0.55 0.00 0.00 56.30 55.64 1ade h ASN 115 Cb 0.24 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.56 1ade h ASN 115 CO -0.26 0.40 -1.17 0.00 -1.65 0.00 0.00 177.43 174.76 1ade h ALA 116 N 1.63 0.14 0.00 -0.83 0.00 -0.02 -2.82 119.26 117.36 1ade h ALA 116 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ade h ALA 116 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ade h ALA 116 CO 0.02 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.12 1ade h ARG 117 N 0.16 0.00 0.00 0.00 3.08 -0.28 -0.43 114.38 116.92 1ade h ARG 117 Ca -0.14 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1ade h ARG 117 Cb 1.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 1ade h ARG 117 CO 0.20 0.00 -0.27 1.49 -1.07 0.00 0.00 179.97 180.32 1ade h GLU 118 N 0.00 0.00 0.00 0.04 4.81 -1.26 -3.33 114.58 114.84 1ade h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ade h GLU 118 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1ade h GLU 118 CO 0.00 0.61 0.00 1.63 -0.73 0.00 0.00 179.01 180.52 1ade n LYS 119 N -4.63 0.20 0.12 1.92 5.02 -1.07 -2.50 118.16 117.22 1ade n LYS 119 Ca -0.11 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.49 1ade n LYS 119 Cb 0.36 -1.81 0.08 0.00 -0.02 0.00 0.00 35.03 33.64 1ade n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ade h ALA 120 N 2.40 0.72 -0.02 7.82 0.00 -1.21 -3.19 119.26 125.78 1ade h ALA 120 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1ade h ALA 120 Cb 0.49 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ade h ALA 120 CO 0.00 0.85 -0.36 0.00 0.00 0.00 0.00 179.25 179.74 1ade h ARG 121 N 0.00 0.28 0.00 0.00 3.08 -1.59 -3.48 114.38 112.67 1ade h ARG 121 Ca -0.01 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1ade h ARG 121 Cb 1.33 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1ade h ARG 121 CO 0.09 0.96 0.00 0.41 -1.07 0.00 0.00 179.97 180.36 1ade n GLY 122 N 0.96 2.88 0.31 0.04 0.00 -1.14 -2.89 105.19 105.34 1ade n GLY 122 Ca -0.10 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1ade n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ade h ALA 123 N -0.55 1.33 -0.54 4.61 0.00 -1.93 0.14 119.26 122.32 1ade h ALA 123 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 1ade h ALA 123 Cb 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.71 1ade h ALA 123 CO 0.00 -0.23 0.44 1.63 0.00 0.00 0.00 179.25 181.08 1ade n LYS 124 N -4.98 1.84 -1.40 0.00 5.02 -1.14 -4.96 118.16 112.54 1ade n LYS 124 Ca 0.19 -1.73 -0.33 0.00 -2.02 0.00 0.00 58.31 54.42 1ade n LYS 124 Cb 0.54 -1.68 0.09 0.00 -0.02 0.00 0.00 35.03 33.97 1ade n LYS 124 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ade s ALA 125 N -1.98 2.12 -0.13 7.82 0.00 0.47 -4.86 121.76 125.21 1ade s ALA 125 Ca 0.34 0.75 0.19 0.00 0.00 0.00 0.00 51.96 53.23 1ade s ALA 125 Cb 0.27 -3.43 -0.20 0.00 0.00 0.00 0.00 23.12 19.76 1ade s ALA 125 CO 0.02 -1.85 0.58 -0.89 0.00 0.00 0.00 175.76 173.62 1ade n ILE 126 N -2.87 0.93 -0.88 0.00 5.41 -1.26 -4.96 119.36 115.73 1ade n ILE 126 Ca 0.12 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 63.20 1ade n ILE 126 Cb 0.51 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 1ade n ILE 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ade n GLY 127 N 1.43 0.84 3.77 7.39 0.00 -1.26 -4.93 105.19 112.43 1ade n GLY 127 Ca -0.13 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1ade n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ade s THR 128 N -2.19 2.98 -0.99 2.61 -1.32 -1.26 -4.90 115.64 110.56 1ade s THR 128 Ca 0.00 0.72 0.29 0.00 -1.21 0.00 0.00 61.69 61.49 1ade s THR 128 Cb 0.00 -3.36 0.23 0.00 -1.51 0.00 0.00 72.50 67.86 1ade s THR 128 CO 0.00 -0.02 1.89 0.35 -2.21 0.00 0.00 174.62 174.63 1ade n THR 129 N -0.65 0.02 -4.07 5.08 -2.24 -1.26 -4.96 114.28 106.21 1ade n THR 129 Ca 0.08 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.52 1ade n THR 129 Cb 0.48 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1ade n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ade n GLY 130 N 1.49 -0.45 0.33 3.38 0.00 -1.26 -4.88 105.19 103.79 1ade n GLY 130 Ca 0.07 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.42 1ade n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ade n ARG 131 N -4.60 1.61 -0.44 1.61 1.74 -1.26 -4.75 116.66 110.57 1ade n ARG 131 Ca -0.24 -0.71 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 1ade n ARG 131 Cb 0.65 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 1ade n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ade n GLY 132 N 1.22 0.72 0.20 -0.13 0.00 -1.26 -4.64 105.19 101.30 1ade n GLY 132 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1ade n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ade h ILE 133 N 0.00 0.68 -0.02 -0.61 2.04 -1.93 -2.37 117.51 115.30 1ade h ILE 133 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1ade h ILE 133 Cb 0.00 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1ade h ILE 133 CO 0.00 0.00 -0.11 1.23 0.00 0.00 0.00 178.15 179.27 1ade h GLY 134 N -0.42 -0.11 1.84 5.37 0.00 -1.93 -1.84 103.07 105.97 1ade h GLY 134 Ca -0.04 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1ade h GLY 134 CO 0.06 -0.12 0.07 -2.55 0.00 0.00 0.00 176.54 174.00 1ade h PRO 135 N -0.18 0.05 -0.26 4.80 0.11 -1.87 -0.20 132.00 134.45 1ade h PRO 135 Ca 0.05 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 1ade h PRO 135 Cb 0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1ade h PRO 135 CO -0.12 0.03 -0.30 0.00 -0.21 0.00 0.00 178.00 177.39 1ade h ALA 136 N 1.95 0.39 -0.33 -0.75 0.00 -0.81 -1.71 119.26 118.00 1ade h ALA 136 Ca 0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1ade h ALA 136 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ade h ALA 136 CO -0.00 0.41 -0.21 1.88 0.00 0.00 0.00 179.25 181.33 1ade h TYR 137 N 0.38 0.69 -0.06 0.00 0.05 -0.86 -2.57 116.97 114.60 1ade h TYR 137 Ca 0.04 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.68 1ade h TYR 137 Cb 0.88 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 1ade h TYR 137 CO 0.08 0.78 -0.00 1.49 -1.05 0.00 0.00 178.16 179.45 1ade h GLU 138 N 0.55 0.01 -0.53 4.88 4.81 -0.87 -2.17 114.58 121.27 1ade h GLU 138 Ca 0.08 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1ade h GLU 138 Cb 0.66 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1ade h GLU 138 CO 0.05 0.01 0.19 -0.44 -0.73 0.00 0.00 179.01 178.09 1ade h ASP 139 N 0.01 0.70 0.47 1.04 3.32 -1.24 -1.81 116.42 118.92 1ade h ASP 139 Ca 0.03 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1ade h ASP 139 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ade h ASP 139 CO -0.05 0.65 -0.32 0.50 -1.72 0.00 0.00 179.24 178.30 1ade h LYS 140 N 0.76 -0.73 0.00 3.56 3.64 -1.09 0.38 116.57 123.09 1ade h LYS 140 Ca 0.18 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1ade h LYS 140 Cb 0.18 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1ade h LYS 140 CO -0.01 -0.49 -0.37 -0.39 -2.27 0.00 0.00 179.45 175.91 1ade h VAL 141 N -0.76 1.19 0.00 2.00 -1.51 -1.34 -1.36 116.25 114.47 1ade h VAL 141 Ca -0.05 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1ade h VAL 141 Cb 0.63 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1ade h VAL 141 CO 0.03 0.37 0.00 0.00 -1.23 0.00 0.00 177.57 176.74 1ade h ALA 142 N 1.63 1.00 -4.32 5.19 0.00 -1.02 -3.47 119.26 118.26 1ade h ALA 142 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 1ade h ALA 142 Cb 0.69 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.57 1ade h ALA 142 CO 0.05 0.00 -0.49 0.54 0.00 0.00 0.00 179.25 179.35 1ade n ARG 143 N -2.85 -5.41 0.00 0.00 1.74 0.13 -4.87 116.66 105.40 1ade n ARG 143 Ca 0.02 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 1ade n ARG 143 Cb 0.36 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 26.81 1ade n ARG 143 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1ade n ARG 144 N -3.68 1.46 -1.83 5.56 1.85 -0.84 -5.04 116.66 114.13 1ade n ARG 144 Ca -0.01 -0.29 -0.30 0.00 -1.00 0.00 0.00 57.85 56.25 1ade n ARG 144 Cb 0.55 -0.77 0.19 0.00 -1.05 0.00 0.00 32.46 31.38 1ade n ARG 144 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ade s GLY 145 N -0.29 1.76 0.16 2.89 0.00 -1.01 -4.76 107.32 106.06 1ade s GLY 145 Ca 0.00 -1.16 0.09 0.00 0.00 0.00 0.00 44.72 43.65 1ade s GLY 145 CO 0.00 -0.38 -0.20 1.08 0.00 0.00 0.00 173.10 173.60 1ade s LEU 146 N -6.00 2.41 0.40 0.66 1.43 -1.26 -4.94 118.68 111.38 1ade s LEU 146 Ca 0.73 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1ade s LEU 146 Cb -0.05 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1ade s LEU 146 CO 0.53 0.01 0.08 -0.13 0.23 0.00 0.00 176.35 177.08 1ade s ARG 147 N -2.60 1.89 0.38 1.70 0.52 -1.26 -1.13 118.95 118.45 1ade s ARG 147 Ca 0.15 -2.13 0.07 0.00 -0.52 0.00 0.00 55.73 53.30 1ade s ARG 147 Cb -0.07 -0.89 0.75 0.00 0.52 0.00 0.00 34.95 35.26 1ade s ARG 147 CO 0.07 -0.35 1.94 0.28 0.02 0.00 0.00 175.30 177.26 1ade h VAL 148 N 1.81 1.16 0.00 3.52 2.07 -0.93 -1.92 116.25 121.97 1ade h VAL 148 Ca -0.39 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1ade h VAL 148 Cb 1.27 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1ade h VAL 148 CO 0.65 0.21 0.00 0.61 0.02 0.00 0.00 177.57 179.06 1ade n GLY 149 N -1.02 -1.13 0.20 2.17 0.00 0.48 -1.89 105.19 104.00 1ade n GLY 149 Ca 0.01 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1ade n GLY 149 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ade h ASP 150 N 0.00 0.00 0.00 1.61 3.32 -1.61 -3.11 116.42 116.62 1ade h ASP 150 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ade h ASP 150 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ade h ASP 150 CO 0.00 0.29 0.00 0.18 -1.72 0.00 0.00 179.24 177.99 1ade n LEU 151 N -3.40 0.00 0.09 1.55 4.77 -0.79 -1.79 117.00 117.43 1ade n LEU 151 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1ade n LEU 151 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1ade n LEU 151 CO 0.35 0.00 -0.04 -0.26 -1.33 0.00 0.00 177.39 176.11 1ade h PHE 152 N 0.00 0.00 -3.37 -1.77 0.04 -1.74 -3.40 116.94 106.70 1ade h PHE 152 Ca 0.00 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.13 1ade h PHE 152 Cb 0.00 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 37.74 1ade h PHE 152 CO 0.00 0.19 -0.66 0.34 -0.60 0.00 0.00 178.31 177.57 1ade s ASP 153 N -5.54 4.28 0.37 2.17 -1.08 -0.74 -5.00 116.67 111.15 1ade s ASP 153 Ca -0.01 -2.77 0.05 0.00 -0.52 0.00 0.00 52.55 49.29 1ade s ASP 153 Cb 0.09 -1.53 0.74 0.00 -1.46 0.00 0.00 42.92 40.76 1ade s ASP 153 CO 0.79 -0.27 2.02 0.11 0.52 0.00 0.00 175.17 178.35 1ade h LYS 154 N 6.76 0.71 0.43 4.34 1.57 -1.78 -2.06 116.57 126.55 1ade h LYS 154 Ca -0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1ade h LYS 154 Cb 0.92 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1ade h LYS 154 CO 0.62 0.47 -0.21 0.93 -0.57 0.00 0.00 179.45 180.70 1ade h GLU 155 N 0.73 -0.56 -0.88 3.15 5.08 -1.94 -2.25 114.58 117.91 1ade h GLU 155 Ca 0.22 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.75 1ade h GLU 155 Cb -0.02 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 1ade h GLU 155 CO -0.05 -0.25 0.49 1.15 -1.00 0.00 0.00 179.01 179.35 1ade h THR 156 N -0.93 0.80 0.08 1.13 2.02 -1.93 -1.39 112.91 112.69 1ade h THR 156 Ca -0.06 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.88 1ade h THR 156 Cb 0.57 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1ade h THR 156 CO 0.10 0.13 -0.17 0.15 0.37 0.00 0.00 175.52 176.10 1ade h PHE 157 N 0.74 -0.45 -0.93 3.16 3.04 -1.28 0.23 116.94 121.44 1ade h PHE 157 Ca 0.46 0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.57 1ade h PHE 157 Cb 0.58 0.19 -0.09 0.00 2.56 0.00 0.00 35.95 39.19 1ade h PHE 157 CO -0.06 -0.25 0.54 0.00 -2.02 0.00 0.00 178.31 176.52 1ade h ALA 158 N 0.54 1.44 -0.22 2.41 0.00 -0.66 0.24 119.26 123.00 1ade h ALA 158 Ca 0.03 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ade h ALA 158 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ade h ALA 158 CO -0.11 0.03 -0.13 0.93 0.00 0.00 0.00 179.25 179.97 1ade h GLU 159 N 0.78 0.48 -0.58 0.00 5.08 -0.64 -2.58 114.58 117.12 1ade h GLU 159 Ca 0.50 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1ade h GLU 159 Cb 0.64 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1ade h GLU 159 CO -0.33 0.77 0.28 0.87 -1.00 0.00 0.00 179.01 179.60 1ade h LYS 160 N 0.18 0.83 -0.88 2.33 1.57 0.17 -2.97 116.57 117.80 1ade h LYS 160 Ca 0.05 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1ade h LYS 160 Cb 0.64 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1ade h LYS 160 CO 0.04 0.67 0.57 1.25 -0.57 0.00 0.00 179.45 181.41 1ade h LEU 161 N 0.78 0.86 -0.29 2.94 5.85 -0.44 -2.66 115.31 122.35 1ade h LEU 161 Ca 0.20 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1ade h LEU 161 Cb 0.12 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1ade h LEU 161 CO -0.03 0.54 0.11 0.50 -0.34 0.00 0.00 178.44 179.22 1ade h LYS 162 N 0.97 0.43 -0.46 1.25 3.64 -1.30 -0.69 116.57 120.40 1ade h LYS 162 Ca 0.39 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1ade h LYS 162 Cb 0.25 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1ade h LYS 162 CO -0.15 0.47 0.25 0.93 -2.27 0.00 0.00 179.45 178.68 1ade h GLU 163 N 0.31 0.65 -0.44 1.90 5.08 -1.40 0.13 114.58 120.81 1ade h GLU 163 Ca 0.09 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1ade h GLU 163 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1ade h GLU 163 CO -0.01 0.52 -0.19 0.28 -1.00 0.00 0.00 179.01 178.61 1ade h VAL 164 N 0.61 1.27 -0.32 3.13 2.07 -1.44 -2.61 116.25 118.97 1ade h VAL 164 Ca 0.16 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1ade h VAL 164 Cb 0.06 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1ade h VAL 164 CO -0.03 0.45 -0.24 0.24 0.02 0.00 0.00 177.57 178.02 1ade h MET 165 N 0.73 0.62 -0.49 1.57 2.86 -0.91 -1.33 114.93 117.98 1ade h MET 165 Ca 0.10 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1ade h MET 165 Cb 0.75 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1ade h MET 165 CO 0.06 0.80 0.32 0.93 1.06 0.00 0.00 176.91 180.08 1ade h GLU 166 N 0.54 0.63 -0.14 1.72 5.08 -0.51 0.13 114.58 122.03 1ade h GLU 166 Ca 0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ade h GLU 166 Cb 0.70 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1ade h GLU 166 CO 0.05 0.42 0.06 -0.92 -1.00 0.00 0.00 179.01 177.62 1ade h TYR 167 N 0.65 0.21 -0.38 4.33 3.20 -1.27 -2.14 116.97 121.57 1ade h TYR 167 Ca 0.18 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 1ade h TYR 167 Cb -0.06 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1ade h TYR 167 CO -0.04 0.29 -0.30 0.45 -1.64 0.00 0.00 178.16 176.92 1ade h HIS 168 N 0.07 0.96 -0.89 -3.82 3.86 -1.06 -2.72 115.15 111.54 1ade h HIS 168 Ca 0.05 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 1ade h HIS 168 Cb 0.16 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1ade h HIS 168 CO -0.02 1.02 0.50 -0.91 0.86 0.00 0.00 177.93 179.38 1ade h ASN 169 N 0.70 1.10 0.23 2.45 2.35 -0.68 -0.48 115.58 121.26 1ade h ASN 169 Ca 0.08 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1ade h ASN 169 Cb 0.84 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1ade h ASN 169 CO 0.07 0.88 -0.35 0.15 -1.65 0.00 0.00 177.43 176.53 1ade h PHE 170 N 1.25 -0.95 -0.96 1.19 3.57 -1.16 0.11 116.94 119.98 1ade h PHE 170 Ca 0.32 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.91 1ade h PHE 170 Cb 0.00 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 1ade h PHE 170 CO 0.01 -0.47 0.61 0.37 -2.23 0.00 0.00 178.31 176.60 1ade h GLN 171 N -0.65 1.04 0.25 1.11 4.15 -1.26 0.28 115.11 120.03 1ade h GLN 171 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1ade h GLN 171 Cb 0.63 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1ade h GLN 171 CO -0.13 0.69 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.26 1ade h LEU 172 N 1.08 -0.29 -0.12 -2.39 3.38 -0.18 -1.15 115.31 115.64 1ade h LEU 172 Ca 0.43 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1ade h LEU 172 Cb 0.24 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ade h LEU 172 CO -0.20 0.02 -0.21 0.58 0.09 0.00 0.00 178.44 178.72 1ade h VAL 173 N -0.61 1.37 0.06 1.22 2.07 -0.63 0.70 116.25 120.44 1ade h VAL 173 Ca -0.03 -1.46 -0.17 0.00 0.82 0.00 0.00 66.70 65.86 1ade h VAL 173 Cb 0.44 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1ade h VAL 173 CO 0.06 0.43 -0.84 0.78 0.02 0.00 0.00 177.57 178.02 1ade h ASN 174 N -0.05 0.21 0.00 0.57 2.35 -1.06 -3.09 115.58 114.52 1ade h ASN 174 Ca 0.01 -0.85 -0.04 0.00 -0.55 0.00 0.00 56.30 54.87 1ade h ASN 174 Cb 0.79 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1ade h ASN 174 CO 0.05 1.36 -0.27 0.22 -1.65 0.00 0.00 177.43 177.14 1ade h TYR 175 N -0.66 0.00 0.00 1.19 3.20 -1.37 -3.37 116.97 115.97 1ade h TYR 175 Ca -0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1ade h TYR 175 Cb 1.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.69 1ade h TYR 175 CO 0.18 0.65 -0.26 0.66 -1.64 0.00 0.00 178.16 177.75 1ade n TYR 176 N -4.63 0.51 -3.75 -3.82 4.01 -0.62 -4.94 117.16 103.91 1ade n TYR 176 Ca -0.10 0.15 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 1ade n TYR 176 Cb 0.34 -0.68 0.03 0.00 -0.31 0.00 0.00 39.34 38.72 1ade n TYR 176 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ade n LYS 177 N -1.97 -5.27 -3.00 -0.72 4.01 -0.23 -4.98 118.16 106.00 1ade n LYS 177 Ca 0.05 0.63 -0.16 0.00 -0.51 0.00 0.00 58.31 58.32 1ade n LYS 177 Cb 0.40 -5.32 -0.01 0.00 -0.51 0.00 0.00 35.03 29.60 1ade n LYS 177 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ade n ALA 178 N -4.43 0.40 -1.47 7.82 0.00 0.23 -4.97 120.51 118.09 1ade n ALA 178 Ca -0.18 -1.24 -0.31 0.00 0.00 0.00 0.00 53.44 51.71 1ade n ALA 178 Cb 0.63 0.56 0.06 0.00 0.00 0.00 0.00 19.45 20.70 1ade n ALA 178 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ade s GLU 179 N -3.18 2.73 0.50 0.00 4.04 -1.26 -3.83 118.70 117.69 1ade s GLU 179 Ca 0.12 1.02 0.01 0.00 0.04 0.00 0.00 54.97 56.15 1ade s GLU 179 Cb -0.01 -1.96 0.01 0.00 0.02 0.00 0.00 34.13 32.19 1ade s GLU 179 CO 0.08 -1.27 0.72 0.00 -1.84 0.00 0.00 175.26 172.95 1ade s ALA 180 N -3.00 3.81 -0.12 -0.84 0.00 -1.26 -4.55 121.76 115.80 1ade s ALA 180 Ca 0.59 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1ade s ALA 180 Cb -0.15 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1ade s ALA 180 CO 0.55 -0.56 -0.14 0.08 0.00 0.00 0.00 175.76 175.69 1ade s VAL 181 N -2.66 2.96 -0.16 0.00 1.01 -1.26 -5.08 120.40 115.20 1ade s VAL 181 Ca 0.53 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1ade s VAL 181 Cb -0.10 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1ade s VAL 181 CO 0.38 0.54 1.35 -0.62 0.00 0.00 0.00 175.10 176.75 1ade s ASP 182 N 0.22 6.83 0.18 3.32 2.15 -1.26 -4.91 116.67 123.19 1ade s ASP 182 Ca -0.09 1.73 -0.14 0.00 0.43 0.00 0.00 52.55 54.48 1ade s ASP 182 Cb -0.15 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.08 1ade s ASP 182 CO 0.05 -0.85 1.71 0.22 -0.17 0.00 0.00 175.17 176.13 1ade h TYR 183 N 8.70 0.09 -0.55 -5.34 3.20 -1.98 -2.42 116.97 118.66 1ade h TYR 183 Ca -0.29 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.57 1ade h TYR 183 Cb 1.12 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1ade h TYR 183 CO 0.83 -0.03 0.18 0.37 -1.64 0.00 0.00 178.16 177.87 1ade h GLN 184 N 0.19 0.82 -0.05 1.82 5.75 -1.98 0.45 115.11 122.11 1ade h GLN 184 Ca 0.22 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1ade h GLN 184 Cb 0.30 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 1ade h GLN 184 CO -0.32 0.71 0.02 -0.22 -2.65 0.00 0.00 178.83 176.37 1ade h LYS 185 N 0.80 0.07 -0.96 1.69 3.64 -1.87 0.18 116.57 120.13 1ade h LYS 185 Ca 0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1ade h LYS 185 Cb 0.23 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1ade h LYS 185 CO -0.01 0.23 0.62 0.28 -2.27 0.00 0.00 179.45 178.30 1ade h VAL 186 N -0.10 1.25 0.21 2.00 2.07 -0.97 -0.24 116.25 120.47 1ade h VAL 186 Ca 0.02 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1ade h VAL 186 Cb 0.19 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1ade h VAL 186 CO -0.00 0.25 -0.10 0.25 0.02 0.00 0.00 177.57 177.99 1ade h LEU 187 N 1.31 -0.24 -0.48 2.57 5.85 -0.70 -2.19 115.31 121.43 1ade h LEU 187 Ca 0.35 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1ade h LEU 187 Cb -0.12 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1ade h LEU 187 CO -0.07 -0.02 0.31 0.44 -0.34 0.00 0.00 178.44 178.76 1ade h ASP 188 N -0.46 0.56 -0.41 1.25 3.32 -0.43 -0.40 116.42 119.85 1ade h ASP 188 Ca -0.03 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.04 1ade h ASP 188 Cb 0.35 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1ade h ASP 188 CO 0.05 0.42 0.15 0.44 -1.72 0.00 0.00 179.24 178.58 1ade h ASP 189 N 0.65 0.17 -0.05 6.45 3.32 -1.02 -2.29 116.42 123.66 1ade h ASP 189 Ca 0.18 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1ade h ASP 189 Cb -0.06 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ade h ASP 189 CO -0.04 0.14 -0.06 0.74 -1.72 0.00 0.00 179.24 178.30 1ade h THR 190 N 0.32 1.39 -0.21 0.35 2.02 -1.21 -3.07 112.91 112.51 1ade h THR 190 Ca 0.19 -1.24 0.06 0.00 0.77 0.00 0.00 66.41 66.18 1ade h THR 190 Cb 0.16 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1ade h THR 190 CO -0.18 0.34 0.28 -0.03 0.37 0.00 0.00 175.52 176.30 1ade h MET 191 N -0.33 0.00 -0.06 6.66 -1.53 -1.02 0.19 114.93 118.84 1ade h MET 191 Ca 0.01 0.00 -0.17 0.00 -3.44 0.00 0.00 59.70 56.10 1ade h MET 191 Cb 0.58 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.62 1ade h MET 191 CO 0.01 0.00 -0.71 0.00 0.14 0.00 0.00 176.91 176.36 1ade h ALA 192 N 1.63 0.68 0.00 0.39 0.00 -1.31 -3.27 119.26 117.39 1ade h ALA 192 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ade h ALA 192 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ade h ALA 192 CO -0.00 0.78 -0.80 1.33 0.00 0.00 0.00 179.25 180.56 1ade n VAL 193 N -3.82 0.00 -0.39 0.00 0.24 -0.30 -4.73 118.33 109.33 1ade n VAL 193 Ca -0.03 -0.12 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1ade n VAL 193 Cb 0.69 0.97 -0.09 0.00 -1.47 0.00 0.00 33.84 33.94 1ade n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ade h ALA 194 N 2.29 -0.52 -0.94 2.33 0.00 -0.74 -0.69 119.26 120.98 1ade h ALA 194 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1ade h ALA 194 Cb 0.40 1.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 1ade h ALA 194 CO 0.00 -0.91 0.60 -0.44 0.00 0.00 0.00 179.25 178.50 1ade h ASP 195 N -0.00 0.79 0.09 0.00 3.32 -1.85 0.50 116.42 119.26 1ade h ASP 195 Ca 0.15 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ade h ASP 195 Cb 0.38 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1ade h ASP 195 CO -0.88 0.41 -0.04 0.40 -1.72 0.00 0.00 179.24 177.40 1ade h ILE 196 N 0.84 1.02 -0.00 0.35 2.04 -1.50 -2.45 117.51 117.81 1ade h ILE 196 Ca 0.47 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1ade h ILE 196 Cb 0.61 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1ade h ILE 196 CO -0.24 0.10 -0.04 -0.07 0.00 0.00 0.00 178.15 177.90 1ade h LEU 197 N -0.30 -0.11 -2.09 1.44 3.38 -0.05 -2.52 115.31 115.07 1ade h LEU 197 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ade h LEU 197 Cb 0.25 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ade h LEU 197 CO 0.02 -0.06 -0.07 0.71 0.09 0.00 0.00 178.44 179.13 1ade h THR 198 N -0.07 0.71 0.00 0.22 1.35 -0.97 -1.98 112.91 112.17 1ade h THR 198 Ca 0.02 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1ade h THR 198 Cb 0.09 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1ade h THR 198 CO -0.04 0.07 0.00 -1.54 -0.25 0.00 0.00 175.52 173.76 1ade n SER 199 N -3.95 0.23 -0.93 5.36 3.41 -0.92 -1.97 113.62 114.85 1ade n SER 199 Ca -0.03 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 1ade n SER 199 Cb 0.16 -0.59 0.19 0.00 -0.26 0.00 0.00 64.21 63.71 1ade n SER 199 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ade n MET 200 N -1.73 2.42 -2.63 4.33 2.81 -0.75 -4.97 117.12 116.60 1ade n MET 200 Ca 0.04 -2.14 -0.42 0.00 -1.81 0.00 0.00 57.70 53.37 1ade n MET 200 Cb 0.26 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 1ade n MET 200 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ade s VAL 201 N -1.13 4.64 0.06 2.03 1.01 -0.83 -0.37 120.40 125.80 1ade s VAL 201 Ca 0.32 1.89 -0.02 0.00 0.00 0.00 0.00 61.98 64.17 1ade s VAL 201 Cb 0.18 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1ade s VAL 201 CO 0.24 0.14 0.01 0.54 0.00 0.00 0.00 175.10 176.04 1ade s VAL 202 N 1.05 0.20 -1.21 2.92 0.11 -0.71 -4.90 120.40 117.86 1ade s VAL 202 Ca 0.54 -1.70 -0.20 0.00 -2.93 0.00 0.00 61.98 57.69 1ade s VAL 202 Cb -0.23 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1ade s VAL 202 CO 0.28 -0.92 1.75 -0.62 -3.33 0.00 0.00 175.10 172.26 1ade s ASP 203 N -2.91 6.32 0.27 3.54 -1.08 -1.26 -4.46 116.67 117.09 1ade s ASP 203 Ca 0.07 -2.05 -0.01 0.00 -0.52 0.00 0.00 52.55 50.04 1ade s ASP 203 Cb 0.07 -2.58 0.45 0.00 -1.46 0.00 0.00 42.92 39.40 1ade s ASP 203 CO -0.10 -1.71 1.87 0.58 0.52 0.00 0.00 175.17 176.34 1ade h VAL 204 N 5.97 1.04 -0.16 1.11 2.07 -1.92 -2.12 116.25 122.23 1ade h VAL 204 Ca 0.35 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1ade h VAL 204 Cb 0.91 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1ade h VAL 204 CO 1.39 0.21 -0.26 0.77 0.02 0.00 0.00 177.57 179.70 1ade h SER 205 N 1.13 0.30 0.44 0.57 4.64 -1.87 -1.28 113.55 117.47 1ade h SER 205 Ca 0.45 -0.09 -0.25 0.00 -0.47 0.00 0.00 61.79 61.43 1ade h SER 205 Cb 0.26 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1ade h SER 205 CO -0.20 0.56 -1.10 -0.78 -0.87 0.00 0.00 176.83 174.44 1ade h ASP 206 N 0.27 0.52 0.04 4.97 3.58 -1.84 -2.37 116.42 121.58 1ade h ASP 206 Ca 0.04 -0.48 0.01 0.00 0.42 0.00 0.00 57.03 57.02 1ade h ASP 206 Cb 0.61 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1ade h ASP 206 CO 0.04 1.32 -0.06 0.25 -2.88 0.00 0.00 179.24 177.91 1ade h LEU 207 N 0.16 -0.18 -1.62 2.28 6.46 -1.04 0.36 115.31 121.74 1ade h LEU 207 Ca -0.12 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 1ade h LEU 207 Cb 1.78 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.77 1ade h LEU 207 CO 0.19 -0.10 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.63 1ade h LEU 208 N -0.13 0.00 -0.17 2.25 3.38 -1.25 0.60 115.31 119.99 1ade h LEU 208 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1ade h LEU 208 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ade h LEU 208 CO -0.04 0.21 -0.80 -0.78 0.09 0.00 0.00 178.44 177.12 1ade h ASP 209 N 0.00 0.90 -0.43 -0.43 3.58 -0.81 -2.25 116.42 116.98 1ade h ASP 209 Ca -0.00 -0.60 -0.06 0.00 0.42 0.00 0.00 57.03 56.79 1ade h ASP 209 Cb 0.43 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1ade h ASP 209 CO 0.03 1.40 0.05 1.56 -2.88 0.00 0.00 179.24 179.39 1ade h GLN 210 N 0.50 0.73 -0.82 0.28 1.08 -0.09 -1.61 115.11 115.19 1ade h GLN 210 Ca -0.06 -0.21 0.03 0.00 -1.45 0.00 0.00 58.65 56.97 1ade h GLN 210 Cb 1.43 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 28.73 1ade h GLN 210 CO 0.16 0.77 0.54 0.00 -0.95 0.00 0.00 178.83 179.35 1ade h ALA 211 N 0.92 1.49 0.14 3.87 0.00 -0.93 -1.55 119.26 123.22 1ade h ALA 211 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ade h ALA 211 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ade h ALA 211 CO 0.01 0.43 -0.07 -0.09 0.00 0.00 0.00 179.25 179.54 1ade h ARG 212 N 1.02 -0.18 0.00 0.00 2.43 -0.83 0.26 114.38 117.08 1ade h ARG 212 Ca 0.32 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1ade h ARG 212 Cb 0.02 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1ade h ARG 212 CO -0.09 -0.04 -0.07 1.96 -1.51 0.00 0.00 179.97 180.22 1ade h GLN 213 N -0.28 0.00 -0.00 0.20 4.20 -0.81 -1.64 115.11 116.78 1ade h GLN 213 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ade h GLN 213 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1ade h GLN 213 CO 0.03 0.07 -0.36 0.54 -0.67 0.00 0.00 178.83 178.44 1ade n ARG 214 N -4.40 0.20 -1.72 1.46 1.74 -0.63 -4.95 116.66 108.36 1ade n ARG 214 Ca -0.03 -0.10 -0.06 0.00 -0.77 0.00 0.00 57.85 56.89 1ade n ARG 214 Cb 0.15 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 1ade n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ade n GLY 215 N 1.45 0.43 3.77 -0.13 0.00 -0.34 -4.99 105.19 105.38 1ade n GLY 215 Ca 0.08 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1ade n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ade s ASP 216 N -2.81 6.80 -0.14 1.61 1.01 -0.07 -4.96 116.67 118.12 1ade s ASP 216 Ca 0.00 2.30 -0.29 0.00 0.71 0.00 0.00 52.55 55.27 1ade s ASP 216 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1ade s ASP 216 CO 0.00 -0.48 1.28 -0.36 0.21 0.00 0.00 175.17 175.83 1ade s PHE 217 N -1.36 2.84 -0.08 4.23 0.08 -1.26 -4.74 117.98 117.69 1ade s PHE 217 Ca 0.53 0.98 0.05 0.00 0.12 0.00 0.00 56.93 58.61 1ade s PHE 217 Cb -0.30 -3.52 -0.00 0.00 -0.57 0.00 0.00 43.02 38.62 1ade s PHE 217 CO 0.39 -1.80 -0.23 0.08 -0.10 0.00 0.00 175.22 173.55 1ade s VAL 218 N 3.32 1.98 -0.09 -0.44 1.01 -0.55 -0.66 120.40 124.97 1ade s VAL 218 Ca 0.56 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1ade s VAL 218 Cb -0.23 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1ade s VAL 218 CO 0.17 0.55 -0.13 -0.32 0.00 0.00 0.00 175.10 175.36 1ade s MET 219 N 0.13 2.95 -0.17 2.72 1.75 -0.46 -1.43 119.30 124.79 1ade s MET 219 Ca -0.12 -0.68 -0.06 0.00 -1.25 0.00 0.00 55.69 53.59 1ade s MET 219 Cb -0.16 -2.52 -0.03 0.00 2.84 0.00 0.00 34.83 34.96 1ade s MET 219 CO 0.06 0.43 0.02 -0.06 -0.65 0.00 0.00 175.02 174.82 1ade s PHE 220 N -0.21 3.15 -0.24 4.11 0.40 0.17 -1.03 117.98 124.33 1ade s PHE 220 Ca 0.01 -0.09 -0.06 0.00 -0.60 0.00 0.00 56.93 56.19 1ade s PHE 220 Cb -0.13 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 1ade s PHE 220 CO 0.03 0.07 0.03 -2.00 0.70 0.00 0.00 175.22 174.05 1ade s GLU 221 N 0.37 3.57 -0.10 0.44 2.12 0.37 -1.16 118.70 124.30 1ade s GLU 221 Ca -0.00 -0.53 -0.15 0.00 0.36 0.00 0.00 54.97 54.65 1ade s GLU 221 Cb -0.13 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 1ade s GLU 221 CO 0.01 -0.18 0.38 0.20 -0.54 0.00 0.00 175.26 175.14 1ade s GLY 222 N 1.53 2.35 0.11 -1.50 0.00 -0.47 -4.08 107.32 105.26 1ade s GLY 222 Ca 0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 44.72 44.35 1ade s GLY 222 CO 0.01 0.44 1.36 0.00 0.00 0.00 0.00 173.10 174.92 1ade h ALA 223 N 6.07 0.39 -1.15 3.20 0.00 -1.90 -3.43 119.26 122.44 1ade h ALA 223 Ca -0.45 -0.53 -0.61 0.00 0.00 0.00 0.00 54.91 53.33 1ade h ALA 223 Cb 1.19 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 1ade h ALA 223 CO 0.71 0.63 -0.53 -0.65 0.00 0.00 0.00 179.25 179.41 1ade s GLN 224 N -4.02 2.01 0.41 0.00 -0.21 -1.26 -4.76 119.66 111.84 1ade s GLN 224 Ca -0.11 -2.24 -0.24 0.00 0.02 0.00 0.00 55.36 52.79 1ade s GLN 224 Cb 0.09 -1.12 -0.09 0.00 1.00 0.00 0.00 33.01 32.89 1ade s GLN 224 CO 0.89 -0.36 1.07 0.20 -2.12 0.00 0.00 175.29 174.97 1ade s GLY 225 N -3.72 2.75 0.17 3.09 0.00 -1.26 -4.31 107.32 104.04 1ade s GLY 225 Ca 0.19 0.75 -0.18 0.00 0.00 0.00 0.00 44.72 45.48 1ade s GLY 225 CO 0.10 1.19 1.64 -0.84 0.00 0.00 0.00 173.10 175.20 1ade h THR 226 N 2.15 0.46 0.00 0.90 2.02 -1.27 -1.66 112.91 115.52 1ade h THR 226 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1ade h THR 226 Cb 1.22 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1ade h THR 226 CO 0.62 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.69 1ade n LEU 227 N -5.36 0.00 -0.95 2.58 4.77 -0.92 -1.12 117.00 115.99 1ade n LEU 227 Ca 0.02 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1ade n LEU 227 Cb 0.27 -0.32 0.27 0.00 -2.33 0.00 0.00 43.42 41.31 1ade n LEU 227 CO 0.12 -0.20 0.72 0.18 -1.33 0.00 0.00 177.39 176.88 1ade n LEU 228 N -1.32 2.82 -4.69 2.23 4.77 -0.62 -1.80 117.00 118.39 1ade n LEU 228 Ca 0.05 -1.27 -0.44 0.00 -0.03 0.00 0.00 56.01 54.32 1ade n LEU 228 Cb 0.09 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1ade n LEU 228 CO 0.09 0.63 1.23 -0.67 -1.33 0.00 0.00 177.39 177.34 1ade n ASP 229 N 1.06 3.39 -0.20 -1.43 2.03 -0.28 0.40 116.55 121.52 1ade n ASP 229 Ca 0.18 1.09 0.14 0.00 0.52 0.00 0.00 54.79 56.72 1ade n ASP 229 Cb 0.49 -1.49 0.46 0.00 -0.72 0.00 0.00 41.12 39.86 1ade n ASP 229 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1ade h ILE 230 N 3.57 0.81 0.00 5.18 2.10 -1.56 -0.64 117.51 126.97 1ade h ILE 230 Ca -0.45 -0.18 -0.22 0.00 1.08 0.00 0.00 64.86 65.10 1ade h ILE 230 Cb 1.24 0.24 -0.03 0.00 -1.09 0.00 0.00 36.82 37.18 1ade h ILE 230 CO 0.88 0.09 -1.28 0.47 -1.08 0.00 0.00 178.15 177.24 1ade n ASP 231 N -4.51 1.86 -1.05 2.19 8.00 -1.26 -4.64 116.55 117.14 1ade n ASP 231 Ca 0.16 0.44 0.11 0.00 0.71 0.00 0.00 54.79 56.21 1ade n ASP 231 Cb 0.51 -0.93 0.25 0.00 -0.02 0.00 0.00 41.12 40.93 1ade n ASP 231 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ade n HIS 232 N -4.44 0.49 -0.99 1.24 8.25 -1.21 -4.92 115.22 113.64 1ade n HIS 232 Ca -0.31 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1ade n HIS 232 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 1ade n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ade n GLY 233 N 1.44 0.64 2.54 -1.41 0.00 -0.25 -4.88 105.19 103.28 1ade n GLY 233 Ca 0.19 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1ade n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ade n THR 234 N 0.00 4.04 -1.67 2.61 -2.24 -0.75 -4.86 114.28 111.42 1ade n THR 234 Ca 0.00 -3.05 -0.45 0.00 -2.27 0.00 0.00 64.05 58.28 1ade n THR 234 Cb 0.00 -2.55 -0.03 0.00 -2.10 0.00 0.00 70.33 65.65 1ade n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ade n TYR 235 N 4.49 2.16 0.05 4.78 9.36 -1.26 -0.06 117.16 136.67 1ade n TYR 235 Ca 0.63 0.42 0.09 0.00 3.32 0.00 0.00 57.90 62.36 1ade n TYR 235 Cb 0.31 -2.47 0.27 0.00 -0.63 0.00 0.00 39.34 36.82 1ade n TYR 235 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ade n PRO 236 N 2.20 2.64 -2.63 2.98 -0.04 -1.26 -4.85 135.00 134.04 1ade n PRO 236 Ca 0.12 -2.14 -0.43 0.00 -0.04 0.00 0.00 63.50 61.01 1ade n PRO 236 Cb 0.31 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1ade n PRO 236 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ade n TYR 237 N 1.06 4.16 -4.30 0.54 4.01 0.91 -4.84 117.16 118.71 1ade n TYR 237 Ca 0.20 -3.09 -0.19 0.00 -0.16 0.00 0.00 57.90 54.65 1ade n TYR 237 Cb 0.58 -2.17 -0.07 0.00 -0.31 0.00 0.00 39.34 37.37 1ade n TYR 237 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1ade n VAL 238 N 4.35 0.00 -3.50 -0.72 3.14 -1.26 -4.27 118.33 116.08 1ade n VAL 238 Ca 0.40 -2.28 -0.22 0.00 -2.96 0.00 0.00 64.34 59.28 1ade n VAL 238 Cb 0.41 1.09 0.00 0.00 -1.06 0.00 0.00 33.84 34.28 1ade n VAL 238 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ade s THR 239 N -3.23 2.26 -0.69 1.55 -1.32 0.16 -5.00 115.64 109.37 1ade s THR 239 Ca 0.35 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1ade s THR 239 Cb 0.02 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 1ade s THR 239 CO 0.25 0.00 0.57 -1.54 -2.21 0.00 0.00 174.62 171.69 1ade n SER 240 N -1.79 1.42 -3.65 8.08 3.41 -1.26 -4.17 113.62 115.65 1ade n SER 240 Ca 0.05 -1.76 0.01 0.00 -0.26 0.00 0.00 58.87 56.91 1ade n SER 240 Cb 0.62 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1ade n SER 240 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ade s SER 241 N 0.22 -0.07 0.41 4.04 1.04 -1.26 -4.69 113.70 113.39 1ade s SER 241 Ca 0.00 -0.20 -0.24 0.00 0.48 0.00 0.00 55.95 55.99 1ade s SER 241 Cb 0.00 0.23 -0.08 0.00 0.10 0.00 0.00 66.02 66.26 1ade s SER 241 CO 0.00 -0.43 1.10 0.20 0.98 0.00 0.00 173.24 175.09 1ade s ASN 242 N -3.04 6.59 0.00 7.02 -0.87 -1.26 -1.97 114.94 121.41 1ade s ASN 242 Ca 0.15 2.16 0.00 0.00 -1.57 0.00 0.00 52.86 53.60 1ade s ASN 242 Cb 0.03 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 1ade s ASN 242 CO -0.02 -0.62 0.07 0.35 -2.57 0.00 0.00 177.10 174.31 1ade n THR 243 N -0.11 0.00 -2.15 1.60 -2.24 -1.26 -4.60 114.28 105.51 1ade n THR 243 Ca 0.05 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 1ade n THR 243 Cb 0.49 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 1ade n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ade s THR 244 N -0.53 4.69 -1.68 4.28 -4.23 -1.26 -4.66 115.64 112.25 1ade s THR 244 Ca 0.00 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1ade s THR 244 Cb 0.00 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1ade s THR 244 CO 0.00 -1.00 0.70 0.00 -0.54 0.00 0.00 174.62 173.78 1ade n ALA 245 N -2.59 1.38 0.24 3.99 0.00 -1.26 -0.67 120.51 121.60 1ade n ALA 245 Ca 0.04 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1ade n ALA 245 Cb 0.55 -1.02 0.41 0.00 0.00 0.00 0.00 19.45 19.39 1ade n ALA 245 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ade h GLY 246 N 0.15 0.00 0.14 0.00 0.00 -1.91 -2.90 103.07 98.55 1ade h GLY 246 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ade h GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ade n GLY 247 N 0.59 -0.51 0.06 4.60 0.00 0.15 -4.26 105.19 105.83 1ade n GLY 247 Ca 0.02 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1ade n GLY 247 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ade h VAL 248 N 0.96 1.02 -0.14 1.61 2.07 -1.71 -1.38 116.25 118.68 1ade h VAL 248 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1ade h VAL 248 Cb 0.21 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1ade h VAL 248 CO 0.00 0.05 0.03 0.00 0.02 0.00 0.00 177.57 177.67 1ade h ALA 249 N 0.81 0.18 -0.55 1.67 0.00 -1.75 -1.67 119.26 117.95 1ade h ALA 249 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1ade h ALA 249 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ade h ALA 249 CO 0.01 -0.17 -0.01 1.15 0.00 0.00 0.00 179.25 180.24 1ade h THR 250 N 0.02 1.26 0.00 0.00 2.02 -1.82 0.82 112.91 115.21 1ade h THR 250 Ca 0.04 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1ade h THR 250 Cb 0.28 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1ade h THR 250 CO 0.00 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.90 1ade n GLY 251 N -0.39 -1.38 0.00 2.16 0.00 -0.52 -4.13 105.19 100.93 1ade n GLY 251 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ade n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ade n SER 252 N -1.45 2.86 0.00 1.61 3.41 -0.63 -1.43 113.62 117.99 1ade n SER 252 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1ade n SER 252 Cb 0.29 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1ade n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ade n GLY 253 N 1.77 0.40 3.77 5.00 0.00 0.28 -4.19 105.19 112.23 1ade n GLY 253 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ade n GLY 253 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ade s LEU 254 N 0.00 4.33 0.38 0.99 2.96 -1.22 -4.83 118.68 121.28 1ade s LEU 254 Ca 0.00 2.03 -0.27 0.00 -0.22 0.00 0.00 54.13 55.67 1ade s LEU 254 Cb 0.00 -3.96 -0.09 0.00 0.50 0.00 0.00 46.19 42.63 1ade s LEU 254 CO 0.00 -0.24 1.32 -0.83 -1.32 0.00 0.00 176.35 175.28 1ade s GLY 255 N -1.39 2.95 0.30 7.98 0.00 -1.26 -4.32 107.32 111.58 1ade s GLY 255 Ca 0.51 1.28 0.06 0.00 0.00 0.00 0.00 44.72 46.57 1ade s GLY 255 CO 0.30 1.89 1.74 -2.55 0.00 0.00 0.00 173.10 174.49 1ade h PRO 256 N 2.96 0.60 0.00 2.90 0.11 -1.95 -0.49 132.00 136.14 1ade h PRO 256 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ade h PRO 256 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ade h PRO 256 CO 0.64 0.40 0.00 0.54 -0.21 0.00 0.00 178.00 179.36 1ade n ARG 257 N -4.87 0.01 -0.10 1.05 1.74 -1.26 -3.55 116.66 109.68 1ade n ARG 257 Ca 0.24 0.22 0.10 0.00 -0.77 0.00 0.00 57.85 57.64 1ade n ARG 257 Cb 0.63 -1.53 0.34 0.00 -1.02 0.00 0.00 32.46 30.88 1ade n ARG 257 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ade n TYR 258 N -1.55 0.26 -2.70 -1.55 4.01 -0.19 -4.81 117.16 110.63 1ade n TYR 258 Ca 0.04 -0.13 -0.43 0.00 -0.16 0.00 0.00 57.90 57.22 1ade n TYR 258 Cb 0.20 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1ade n TYR 258 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1ade s VAL 259 N -1.74 4.53 -0.13 -0.72 1.01 -1.23 -4.63 120.40 117.50 1ade s VAL 259 Ca 0.32 1.52 -0.23 0.00 0.00 0.00 0.00 61.98 63.59 1ade s VAL 259 Cb 0.17 -4.39 -0.26 0.00 0.00 0.00 0.00 36.38 31.90 1ade s VAL 259 CO 0.25 -0.52 0.63 0.44 0.00 0.00 0.00 175.10 175.90 1ade h ASP 260 N 8.27 0.19 -3.57 3.32 3.32 -1.60 -3.48 116.42 122.87 1ade h ASP 260 Ca -0.22 -0.85 -0.24 0.00 0.02 0.00 0.00 57.03 55.74 1ade h ASP 260 Cb 1.07 -0.06 -0.31 0.00 0.22 0.00 0.00 39.33 40.25 1ade h ASP 260 CO 1.02 1.33 -0.64 -0.47 -1.72 0.00 0.00 179.24 178.76 1ade s TYR 261 N -2.35 -0.09 -0.22 4.55 6.14 -0.85 -4.99 117.35 119.54 1ade s TYR 261 Ca -0.20 0.30 0.00 0.00 0.64 0.00 0.00 57.07 57.81 1ade s TYR 261 Cb 0.01 -0.08 0.03 0.00 0.42 0.00 0.00 41.96 42.34 1ade s TYR 261 CO 0.72 -0.10 -0.12 0.08 0.64 0.00 0.00 175.55 176.76 1ade s VAL 262 N 0.73 2.43 -0.29 3.14 1.01 -1.26 -1.41 120.40 124.75 1ade s VAL 262 Ca -0.06 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 1ade s VAL 262 Cb -0.08 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1ade s VAL 262 CO -0.03 0.29 0.40 -0.22 0.00 0.00 0.00 175.10 175.53 1ade s LEU 263 N 1.27 4.16 -0.30 3.92 2.96 0.22 -0.28 118.68 130.63 1ade s LEU 263 Ca 0.00 0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 1ade s LEU 263 Cb -0.16 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 1ade s LEU 263 CO -0.08 -0.26 0.46 -0.83 -1.32 0.00 0.00 176.35 174.32 1ade s GLY 264 N 1.67 1.85 -0.15 7.98 0.00 0.37 -2.24 107.32 116.81 1ade s GLY 264 Ca 0.15 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 1ade s GLY 264 CO 0.11 1.15 1.27 -0.42 0.00 0.00 0.00 173.10 175.21 1ade s ILE 265 N 2.24 4.25 -0.18 0.90 -1.09 -0.17 -1.87 121.20 125.27 1ade s ILE 265 Ca 0.18 1.52 0.01 0.00 -2.23 0.00 0.00 60.65 60.12 1ade s ILE 265 Cb -0.16 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1ade s ILE 265 CO 0.11 -0.12 -0.14 -0.22 -1.23 0.00 0.00 174.94 173.34 1ade s LEU 266 N 3.37 2.12 0.34 2.97 2.96 0.54 -1.61 118.68 129.37 1ade s LEU 266 Ca 0.56 -0.72 -0.25 0.00 -0.22 0.00 0.00 54.13 53.49 1ade s LEU 266 Cb -0.23 -1.30 -0.10 0.00 0.50 0.00 0.00 46.19 45.06 1ade s LEU 266 CO 0.16 -0.08 0.95 -0.75 -1.32 0.00 0.00 176.35 175.31 1ade s LYS 267 N 1.38 4.53 0.61 1.98 2.20 -1.26 -0.48 119.74 128.69 1ade s LYS 267 Ca 0.02 1.30 0.36 0.00 -0.36 0.00 0.00 55.97 57.29 1ade s LYS 267 Cb -0.14 -2.70 1.98 0.00 -1.51 0.00 0.00 37.83 35.45 1ade s LYS 267 CO -0.10 0.23 2.25 0.00 -0.36 0.00 0.00 175.35 177.37 1ade h ALA 268 N 2.97 1.21 -2.14 3.13 0.00 -0.81 -3.44 119.26 120.18 1ade h ALA 268 Ca -0.47 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 53.92 1ade h ALA 268 Cb 1.19 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 1ade h ALA 268 CO 0.64 0.03 -0.52 1.52 0.00 0.00 0.00 179.25 180.92 1ade s TYR 269 N -4.26 1.73 0.09 0.00 1.13 -1.26 -4.37 117.35 110.42 1ade s TYR 269 Ca -0.04 -1.40 0.04 0.00 -1.41 0.00 0.00 57.07 54.26 1ade s TYR 269 Cb 0.13 -0.97 -0.04 0.00 -1.10 0.00 0.00 41.96 39.98 1ade s TYR 269 CO 0.50 -0.50 0.06 -1.12 -2.51 0.00 0.00 175.55 171.97 1ade s SER 270 N -3.49 5.35 0.01 -0.18 0.01 0.46 -4.79 113.70 111.07 1ade s SER 270 Ca 0.31 -0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.41 1ade s SER 270 Cb 0.03 -1.38 -0.00 0.00 0.21 0.00 0.00 66.02 64.88 1ade s SER 270 CO 0.19 0.16 0.14 0.42 0.41 0.00 0.00 173.24 174.55 1ade s THR 271 N -1.41 0.09 -0.08 1.44 -4.23 -1.26 -2.33 115.64 107.86 1ade s THR 271 Ca 0.28 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1ade s THR 271 Cb -0.12 -0.51 0.04 0.00 1.34 0.00 0.00 72.50 73.25 1ade s THR 271 CO 0.21 -0.41 0.19 -0.60 -0.54 0.00 0.00 174.62 173.46 1ade s ARG 272 N -1.60 0.14 -0.32 3.99 3.52 -0.90 -4.50 118.95 119.28 1ade s ARG 272 Ca -0.13 0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 55.82 1ade s ARG 272 Cb -0.07 -0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 1ade s ARG 272 CO 0.01 -0.17 0.14 0.08 -0.81 0.00 0.00 175.30 174.55 1ade s VAL 273 N 1.23 4.39 0.00 7.11 1.01 -1.26 -1.15 120.40 131.72 1ade s VAL 273 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1ade s VAL 273 Cb -0.11 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1ade s VAL 273 CO -0.07 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1ade n GLY 274 N 4.95 -1.62 3.84 4.51 0.00 -1.26 -4.91 105.19 110.69 1ade n GLY 274 Ca -0.14 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.36 1ade n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ade s ALA 275 N -1.29 2.98 0.00 4.61 0.00 -1.26 -4.97 121.76 121.82 1ade s ALA 275 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1ade s ALA 275 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1ade s ALA 275 CO 0.00 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1ade n GLY 276 N -1.85 3.90 3.68 0.00 0.00 -1.26 -4.87 105.19 104.78 1ade n GLY 276 Ca 0.07 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 1ade n GLY 276 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ade n PRO 277 N -1.81 1.64 -2.73 1.61 -0.02 -1.26 -4.96 135.00 127.47 1ade n PRO 277 Ca 0.00 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 62.00 1ade n PRO 277 Cb 0.00 -2.32 0.06 0.00 -0.02 0.00 0.00 33.50 31.22 1ade n PRO 277 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ade n PHE 278 N -0.61 -2.67 -0.33 6.00 -0.00 -1.26 -5.04 117.46 113.55 1ade n PHE 278 Ca 0.09 -1.54 0.36 0.00 -0.00 0.00 0.00 57.45 56.36 1ade n PHE 278 Cb 0.41 1.47 0.68 0.00 -0.00 0.00 0.00 39.48 42.04 1ade n PHE 278 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ade h PRO 279 N 3.71 0.00 -0.60 -7.13 0.13 -1.91 -0.56 132.00 125.64 1ade h PRO 279 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ade h PRO 279 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ade h PRO 279 CO 0.20 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.38 1ade n THR 280 N -3.77 0.88 -1.77 1.56 -1.04 -1.26 -4.36 114.28 104.51 1ade n THR 280 Ca 0.27 -0.94 -0.41 0.00 -2.04 0.00 0.00 64.05 60.93 1ade n THR 280 Cb 1.44 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 70.57 1ade n THR 280 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ade n GLU 281 N 1.45 2.62 -4.22 -2.82 2.13 -0.22 -2.89 120.64 116.70 1ade n GLU 281 Ca 0.21 0.92 -0.31 0.00 0.66 0.00 0.00 57.16 58.64 1ade n GLU 281 Cb 0.59 -2.65 -0.08 0.00 0.27 0.00 0.00 31.44 29.56 1ade n GLU 281 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ade s LEU 282 N -2.04 3.50 -0.00 4.31 1.02 -0.51 -4.92 118.68 120.03 1ade s LEU 282 Ca 0.54 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.61 1ade s LEU 282 Cb -0.48 -2.10 0.01 0.00 0.02 0.00 0.00 46.19 43.64 1ade s LEU 282 CO 0.63 0.23 0.88 0.49 0.02 0.00 0.00 176.35 178.61 1ade n PHE 283 N 1.03 0.00 -2.12 0.29 3.01 -1.26 -4.66 117.46 113.75 1ade n PHE 283 Ca -0.13 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 57.95 1ade n PHE 283 Cb 0.52 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 1ade n PHE 283 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ade n ASP 284 N -0.40 0.41 0.08 4.37 5.68 -1.26 -4.96 116.55 120.46 1ade n ASP 284 Ca 0.01 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.26 1ade n ASP 284 Cb 0.33 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.48 1ade n ASP 284 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1ade h GLU 285 N 0.00 0.29 -0.36 0.11 4.57 -1.98 -1.85 114.58 115.35 1ade h GLU 285 Ca 0.00 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.94 1ade h GLU 285 Cb 0.00 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1ade h GLU 285 CO 0.00 0.71 -0.10 1.15 -1.18 0.00 0.00 179.01 179.59 1ade h THR 286 N 0.23 1.28 0.06 0.32 2.02 -1.98 0.46 112.91 115.30 1ade h THR 286 Ca 0.01 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.03 1ade h THR 286 Cb 0.95 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1ade h THR 286 CO 0.08 0.39 -0.23 1.23 0.37 0.00 0.00 175.52 177.35 1ade h GLY 287 N 0.49 -0.38 0.25 2.16 0.00 -1.83 0.19 103.07 103.94 1ade h GLY 287 Ca 0.09 0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.77 1ade h GLY 287 CO 0.04 -0.20 -0.10 0.83 0.00 0.00 0.00 176.54 177.10 1ade h GLU 288 N -0.40 -0.02 0.00 4.80 4.39 -1.09 0.33 114.58 122.60 1ade h GLU 288 Ca 0.04 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1ade h GLU 288 Cb 0.45 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1ade h GLU 288 CO -0.17 -0.01 -0.33 0.35 -1.16 0.00 0.00 179.01 177.69 1ade h PHE 289 N -0.02 -0.92 -0.39 4.33 3.57 0.65 0.98 116.94 125.13 1ade h PHE 289 Ca 0.18 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1ade h PHE 289 Cb 0.28 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1ade h PHE 289 CO -0.34 -0.43 0.14 -0.07 -2.23 0.00 0.00 178.31 175.39 1ade h LEU 290 N -0.49 0.16 -0.66 0.59 3.38 -0.16 0.34 115.31 118.47 1ade h LEU 290 Ca 0.06 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1ade h LEU 290 Cb 0.57 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1ade h LEU 290 CO -0.27 0.13 0.34 0.00 0.09 0.00 0.00 178.44 178.73 1ade h LYS 292 N 0.62 -0.85 -0.64 0.00 1.79 0.20 -2.89 116.57 114.80 1ade h LYS 292 Ca 0.31 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.89 1ade h LYS 292 Cb 0.25 0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 1ade h LYS 292 CO -0.21 -0.53 0.34 1.96 -1.08 0.00 0.00 179.45 179.93 1ade h GLN 293 N -1.05 0.62 0.00 3.15 1.08 -0.07 -1.16 115.11 117.68 1ade h GLN 293 Ca -0.09 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1ade h GLN 293 Cb 0.71 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1ade h GLN 293 CO 0.15 0.41 0.00 0.41 -0.95 0.00 0.00 178.83 178.85 1ade n GLY 294 N -1.28 -0.93 4.08 3.46 0.00 0.14 -4.85 105.19 105.81 1ade n GLY 294 Ca 0.08 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1ade n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ade n ASN 295 N -1.73 -0.11 -2.33 1.61 5.15 -0.44 -4.87 115.26 112.55 1ade n ASN 295 Ca 0.02 -1.09 -0.29 0.00 -0.60 0.00 0.00 54.58 52.62 1ade n ASN 295 Cb 0.13 -2.60 0.03 0.00 -0.53 0.00 0.00 39.78 36.81 1ade n ASN 295 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ade n GLU 296 N -4.45 3.30 0.00 1.20 1.02 -1.19 -4.62 120.64 115.90 1ade n GLU 296 Ca -0.29 -4.05 0.00 0.00 -0.02 0.00 0.00 57.16 52.80 1ade n GLU 296 Cb 0.68 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1ade n GLU 296 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1ade n PHE 297 N -0.65 0.00 0.00 -0.32 -1.74 -1.26 -4.21 117.46 109.28 1ade n PHE 297 Ca 0.47 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.36 1ade n PHE 297 Cb 0.73 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.73 1ade n PHE 297 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ade n GLY 298 N -0.16 1.68 0.22 4.97 0.00 -1.26 -4.97 105.19 105.67 1ade n GLY 298 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ade n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ade h ALA 299 N 0.00 1.19 0.00 4.61 0.00 -1.82 -3.37 119.26 119.87 1ade h ALA 299 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ade h ALA 299 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ade h ALA 299 CO 0.00 -0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.31 1ade n THR 300 N -2.37 0.00 -2.59 0.00 -2.24 -1.26 -5.05 114.28 100.77 1ade n THR 300 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1ade n THR 300 Cb 0.27 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1ade n THR 300 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ade n THR 301 N -2.20 1.59 -3.60 4.28 -2.24 -1.26 -5.14 114.28 105.71 1ade n THR 301 Ca 0.00 -3.41 -0.05 0.00 -2.27 0.00 0.00 64.05 58.32 1ade n THR 301 Cb 0.00 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1ade n THR 301 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ade s GLY 302 N -3.60 -0.22 -0.20 3.38 0.00 -1.26 -4.95 107.32 100.48 1ade s GLY 302 Ca 0.34 1.86 0.02 0.00 0.00 0.00 0.00 44.72 46.94 1ade s GLY 302 CO -0.02 0.69 1.41 -0.96 0.00 0.00 0.00 173.10 174.21 1ade n ARG 303 N 0.10 1.54 0.00 2.90 0.00 -1.26 -4.80 116.66 115.14 1ade n ARG 303 Ca -0.01 -1.30 0.00 0.00 -0.00 0.00 0.00 57.85 56.55 1ade n ARG 303 Cb 0.58 -1.51 0.00 0.00 -0.00 0.00 0.00 32.46 31.53 1ade n ARG 303 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ade n ARG 304 N -0.20 0.00 -3.15 2.89 0.63 -1.26 -4.64 116.66 110.93 1ade n ARG 304 Ca 0.26 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.24 1ade n ARG 304 Cb 1.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.91 1ade n ARG 304 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1ade s ARG 305 N -2.00 0.33 -0.13 -0.14 6.06 -1.26 -4.56 118.95 117.26 1ade s ARG 305 Ca 0.00 0.36 -0.03 0.00 -2.50 0.00 0.00 55.73 53.56 1ade s ARG 305 Cb 0.00 0.17 -0.03 0.00 0.06 0.00 0.00 34.95 35.15 1ade s ARG 305 CO 0.00 -0.59 -0.02 1.03 -2.50 0.00 0.00 175.30 173.22 1ade s ARG 306 N 2.90 3.43 0.31 5.12 0.52 -0.30 -4.97 118.95 125.96 1ade s ARG 306 Ca 0.18 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 54.99 1ade s ARG 306 Cb -0.06 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1ade s ARG 306 CO -0.23 0.42 0.32 0.99 0.02 0.00 0.00 175.30 176.82 1ade s THR 307 N -0.10 3.95 0.00 0.02 2.01 -1.26 -2.11 115.64 118.15 1ade s THR 307 Ca 0.03 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 60.77 1ade s THR 307 Cb -0.13 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1ade s THR 307 CO 0.02 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 1ade n GLY 308 N -1.41 1.06 3.71 4.40 0.00 -0.99 -1.42 105.19 110.55 1ade n GLY 308 Ca -0.03 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1ade n GLY 308 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ade s TRP 309 N -2.00 2.26 0.31 1.61 0.52 -1.14 -0.40 118.94 120.10 1ade s TRP 309 Ca 0.00 1.18 -0.29 0.00 0.02 0.00 0.00 56.10 57.01 1ade s TRP 309 Cb 0.00 -3.19 -0.10 0.00 -1.15 0.00 0.00 33.47 29.03 1ade s TRP 309 CO 0.00 -2.53 1.34 -1.17 0.02 0.00 0.00 176.95 174.61 1ade s LEU 310 N -6.28 4.41 -0.48 2.99 2.96 -1.26 -3.60 118.68 117.43 1ade s LEU 310 Ca 0.64 2.69 -0.02 0.00 -0.22 0.00 0.00 54.13 57.22 1ade s LEU 310 Cb -0.18 -3.64 0.13 0.00 0.50 0.00 0.00 46.19 42.99 1ade s LEU 310 CO 0.57 -0.58 0.26 -0.62 -1.32 0.00 0.00 176.35 174.66 1ade s ASP 311 N -0.27 5.13 0.56 3.68 -1.08 -1.26 -1.97 116.67 121.45 1ade s ASP 311 Ca 0.51 -2.37 0.34 0.00 -0.52 0.00 0.00 52.55 50.51 1ade s ASP 311 Cb -0.40 -1.80 1.52 0.00 -1.46 0.00 0.00 42.92 40.77 1ade s ASP 311 CO 0.51 -0.45 2.05 0.71 0.52 0.00 0.00 175.17 178.50 1ade h THR 312 N 5.99 0.11 0.07 1.71 1.35 -1.71 -1.27 112.91 119.17 1ade h THR 312 Ca -0.08 -0.49 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1ade h THR 312 Cb 1.00 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1ade h THR 312 CO 0.68 0.03 -0.03 0.58 -0.25 0.00 0.00 175.52 176.54 1ade h VAL 313 N 0.00 1.17 -0.25 6.82 2.07 -1.84 -0.43 116.25 123.79 1ade h VAL 313 Ca -0.00 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1ade h VAL 313 Cb 0.43 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1ade h VAL 313 CO 0.00 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.76 1ade h ALA 314 N 0.37 1.44 -0.20 1.67 0.00 -1.84 -2.30 119.26 118.40 1ade h ALA 314 Ca -0.01 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1ade h ALA 314 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ade h ALA 314 CO 0.02 0.39 -0.55 0.28 0.00 0.00 0.00 179.25 179.39 1ade h VAL 315 N 0.37 1.31 -0.82 0.00 2.07 -1.16 -2.72 116.25 115.31 1ade h VAL 315 Ca 0.08 -1.79 0.06 0.00 0.82 0.00 0.00 66.70 65.87 1ade h VAL 315 Cb 0.34 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1ade h VAL 315 CO 0.02 0.56 0.54 -0.09 0.02 0.00 0.00 177.57 178.61 1ade h ARG 316 N 0.47 0.90 -0.48 1.57 9.65 -0.53 0.85 114.38 126.81 1ade h ARG 316 Ca 0.01 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.71 1ade h ARG 316 Cb 1.11 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 29.47 1ade h ARG 316 CO 0.11 0.60 -0.18 -0.09 2.80 0.00 0.00 179.97 183.21 1ade h ARG 317 N 0.93 0.94 -0.65 0.20 9.65 -1.23 -1.84 114.38 122.37 1ade h ARG 317 Ca 0.35 -0.37 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 1ade h ARG 317 Cb 0.18 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1ade h ARG 317 CO -0.12 1.03 0.12 0.00 2.80 0.00 0.00 179.97 183.80 1ade h ALA 318 N 0.97 0.86 0.06 2.80 0.00 -0.87 0.12 119.26 123.20 1ade h ALA 318 Ca 0.12 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ade h ALA 318 Cb 0.73 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ade h ALA 318 CO 0.06 0.62 -0.19 0.28 0.00 0.00 0.00 179.25 180.02 1ade h VAL 319 N 0.99 0.56 -0.02 0.00 2.07 -0.73 -1.41 116.25 117.70 1ade h VAL 319 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 1ade h VAL 319 Cb 0.43 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1ade h VAL 319 CO 0.01 0.00 0.01 -0.61 0.02 0.00 0.00 177.57 177.00 1ade h GLN 320 N -0.34 0.03 -0.43 1.57 4.15 -1.04 0.33 115.11 119.38 1ade h GLN 320 Ca 0.04 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1ade h GLN 320 Cb 0.38 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1ade h GLN 320 CO -0.14 0.10 0.15 -0.07 -1.93 0.00 0.00 178.83 176.94 1ade h LEU 321 N -0.04 0.57 -1.14 -2.39 3.38 -0.71 -3.07 115.31 111.91 1ade h LEU 321 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ade h LEU 321 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ade h LEU 321 CO -0.00 0.54 -0.27 0.59 0.09 0.00 0.00 178.44 179.38 1ade n ASN 322 N -4.35 1.96 -3.99 -0.43 3.02 -0.54 -4.60 115.26 106.34 1ade n ASN 322 Ca 0.03 -1.48 -0.28 0.00 -0.03 0.00 0.00 54.58 52.82 1ade n ASN 322 Cb 0.17 0.35 -0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1ade n ASN 322 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ade n SER 323 N 0.22 -1.61 -4.52 6.41 3.41 0.11 -4.82 113.62 112.82 1ade n SER 323 Ca 0.08 -0.97 -0.43 0.00 -0.26 0.00 0.00 58.87 57.30 1ade n SER 323 Cb 0.40 -3.17 0.00 0.00 -0.26 0.00 0.00 64.21 61.19 1ade n SER 323 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ade n LEU 324 N -4.42 1.04 -0.09 1.04 4.77 -0.95 -4.67 117.00 113.72 1ade n LEU 324 Ca -0.18 1.02 -0.10 0.00 -0.03 0.00 0.00 56.01 56.72 1ade n LEU 324 Cb 0.62 -1.21 -0.12 0.00 -2.33 0.00 0.00 43.42 40.38 1ade n LEU 324 CO 0.77 -2.18 -1.07 -1.20 -1.33 0.00 0.00 177.39 172.38 1ade n SER 325 N 1.08 1.35 -3.66 -1.43 7.64 0.61 -4.92 113.62 114.30 1ade n SER 325 Ca 0.11 -0.03 -0.06 0.00 1.01 0.00 0.00 58.87 59.90 1ade n SER 325 Cb 0.37 0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 64.13 1ade n SER 325 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ade s GLY 326 N -5.27 -0.32 0.26 0.23 0.00 -1.17 -4.48 107.32 96.57 1ade s GLY 326 Ca -0.13 0.36 0.10 0.00 0.00 0.00 0.00 44.72 45.05 1ade s GLY 326 CO 0.62 0.10 -0.04 -1.36 0.00 0.00 0.00 173.10 172.42 1ade s PHE 327 N -3.36 2.63 -0.17 1.90 0.08 -0.66 -0.47 117.98 117.92 1ade s PHE 327 Ca 0.09 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.91 1ade s PHE 327 Cb -0.02 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.29 1ade s PHE 327 CO -0.02 0.63 -0.14 0.00 -0.10 0.00 0.00 175.22 175.59 1ade s LEU 329 N 1.40 4.23 0.30 0.00 2.96 0.05 -0.34 118.68 127.28 1ade s LEU 329 Ca 0.03 0.99 0.10 0.00 -0.22 0.00 0.00 54.13 55.03 1ade s LEU 329 Cb -0.14 -2.95 -0.06 0.00 0.50 0.00 0.00 46.19 43.54 1ade s LEU 329 CO -0.10 -0.18 -0.14 0.42 -1.32 0.00 0.00 176.35 175.03 1ade s THR 330 N 1.30 2.26 -1.49 3.68 -4.23 0.37 -0.81 115.64 116.72 1ade s THR 330 Ca 0.32 -2.29 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 1ade s THR 330 Cb -0.16 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.30 1ade s THR 330 CO 0.13 -0.32 0.92 0.29 -0.54 0.00 0.00 174.62 175.10 1ade n LYS 331 N -0.67 -5.55 0.07 3.99 4.76 -1.26 -0.26 118.16 119.24 1ade n LYS 331 Ca -0.05 0.64 -0.05 0.00 -2.87 0.00 0.00 58.31 55.98 1ade n LYS 331 Cb 0.62 -5.54 0.12 0.00 -1.84 0.00 0.00 35.03 28.39 1ade n LYS 331 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ade h LEU 332 N -1.98 0.32 -0.54 -0.35 5.85 -1.88 -2.98 115.31 113.76 1ade h LEU 332 Ca -0.56 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1ade h LEU 332 Cb 1.36 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1ade h LEU 332 CO 0.63 0.83 0.00 -0.90 -0.34 0.00 0.00 178.44 178.66 1ade n ASP 333 N -3.90 0.22 0.25 1.25 5.75 -1.26 -1.53 116.55 117.33 1ade n ASP 333 Ca -0.02 0.60 0.15 0.00 -0.01 0.00 0.00 54.79 55.51 1ade n ASP 333 Cb 0.60 -0.63 0.48 0.00 -1.03 0.00 0.00 41.12 40.54 1ade n ASP 333 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1ade h VAL 334 N 0.00 0.00 -0.03 2.12 2.07 -1.87 -2.85 116.25 115.68 1ade h VAL 334 Ca 0.00 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1ade h VAL 334 Cb 0.02 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1ade h VAL 334 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1ade n LEU 335 N -3.05 1.98 -4.66 2.57 4.77 -0.58 -4.84 117.00 113.19 1ade n LEU 335 Ca 0.02 -0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 1ade n LEU 335 Cb 0.39 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1ade n LEU 335 CO 0.30 0.34 1.42 -1.81 -1.33 0.00 0.00 177.39 176.30 1ade s ASP 336 N -1.97 6.62 0.00 -1.43 1.01 -1.08 -2.78 116.67 117.04 1ade s ASP 336 Ca 0.35 2.34 0.00 0.00 0.71 0.00 0.00 52.55 55.95 1ade s ASP 336 Cb 0.21 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1ade s ASP 336 CO 0.32 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.36 1ade n GLY 337 N 4.21 2.80 3.77 0.21 0.00 0.16 -5.02 105.19 111.32 1ade n GLY 337 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1ade n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ade s LEU 338 N 0.00 4.25 0.07 0.99 1.43 -1.12 -4.86 118.68 119.45 1ade s LEU 338 Ca 0.00 2.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.70 1ade s LEU 338 Cb 0.00 -3.88 -0.25 0.00 0.03 0.00 0.00 46.19 42.08 1ade s LEU 338 CO 0.00 -0.76 1.12 0.50 0.23 0.00 0.00 176.35 177.44 1ade h LYS 339 N 2.79 0.16 -3.83 1.70 3.64 -1.92 -2.91 116.57 116.20 1ade h LYS 339 Ca -0.49 -0.27 -0.31 0.00 -1.27 0.00 0.00 60.65 58.30 1ade h LYS 339 Cb 1.24 0.10 -0.32 0.00 -0.41 0.00 0.00 32.23 32.85 1ade h LYS 339 CO 0.63 1.09 -0.74 -2.00 -2.27 0.00 0.00 179.45 176.16 1ade s GLU 340 N -2.67 0.25 0.13 1.90 2.56 -1.26 -1.10 118.70 118.50 1ade s GLU 340 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 54.97 55.04 1ade s GLU 340 Cb 0.08 -0.36 -0.04 0.00 2.00 0.00 0.00 34.13 35.81 1ade s GLU 340 CO 0.85 -0.06 -0.16 0.08 -0.56 0.00 0.00 175.26 175.41 1ade s VAL 341 N 0.58 2.94 0.06 3.70 1.01 0.20 -4.78 120.40 124.12 1ade s VAL 341 Ca -0.06 -1.52 0.04 0.00 0.00 0.00 0.00 61.98 60.44 1ade s VAL 341 Cb -0.09 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1ade s VAL 341 CO -0.01 0.06 -0.12 -0.54 0.00 0.00 0.00 175.10 174.49 1ade s LYS 342 N -2.27 0.72 -0.04 2.72 1.02 -1.26 -0.09 119.74 120.54 1ade s LYS 342 Ca 0.19 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 1ade s LYS 342 Cb -0.10 -0.64 0.03 0.00 -0.52 0.00 0.00 37.83 36.60 1ade s LYS 342 CO 0.11 0.14 0.04 -0.48 -0.92 0.00 0.00 175.35 174.24 1ade s LEU 343 N -1.69 0.49 0.05 3.17 2.34 -0.91 -4.16 118.68 117.96 1ade s LEU 343 Ca -0.05 0.03 -0.31 0.00 0.06 0.00 0.00 54.13 53.87 1ade s LEU 343 Cb -0.10 -0.20 -0.07 0.00 -0.56 0.00 0.00 46.19 45.26 1ade s LEU 343 CO 0.02 -0.20 1.52 0.00 -1.06 0.00 0.00 176.35 176.62 1ade n VAL 345 N 4.58 0.16 -3.80 0.00 0.24 -0.31 -1.75 118.33 117.46 1ade n VAL 345 Ca 0.14 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.34 61.99 1ade n VAL 345 Cb 0.42 0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.80 1ade n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ade s ALA 346 N -2.98 -1.46 -0.01 2.33 0.00 -1.21 -4.69 121.76 113.74 1ade s ALA 346 Ca -0.06 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.86 1ade s ALA 346 Cb 0.09 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1ade s ALA 346 CO 0.65 -1.04 -0.25 0.71 0.00 0.00 0.00 175.76 175.82 1ade s TYR 347 N -3.22 2.36 -0.36 0.00 2.02 -0.46 -0.27 117.35 117.42 1ade s TYR 347 Ca 0.13 -0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 56.28 1ade s TYR 347 Cb -0.03 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1ade s TYR 347 CO 0.05 0.01 0.28 0.50 -1.57 0.00 0.00 175.55 174.81 1ade s ARG 348 N -0.74 3.37 0.62 -0.62 3.52 0.89 -0.17 118.95 125.83 1ade s ARG 348 Ca 0.10 -0.70 -0.15 0.00 -0.13 0.00 0.00 55.73 54.85 1ade s ARG 348 Cb -0.10 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.42 1ade s ARG 348 CO -0.00 -0.54 1.08 -1.64 -0.81 0.00 0.00 175.30 173.39 1ade s MET 349 N 1.77 3.10 0.08 5.12 -1.94 0.18 -1.96 119.30 125.65 1ade s MET 349 Ca 0.07 1.29 0.04 0.00 -1.71 0.00 0.00 55.69 55.38 1ade s MET 349 Cb -0.18 -2.00 0.23 0.00 2.01 0.00 0.00 34.83 34.89 1ade s MET 349 CO 0.11 -1.00 1.03 -2.30 -0.01 0.00 0.00 175.02 172.84 1ade n PRO 350 N -2.19 0.03 -0.52 2.03 -0.02 -1.23 -0.38 135.00 132.73 1ade n PRO 350 Ca 0.09 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.09 1ade n PRO 350 Cb 0.52 -1.72 0.27 0.00 -0.02 0.00 0.00 33.50 32.56 1ade n PRO 350 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ade n ASP 351 N -1.57 4.00 0.00 2.55 5.75 -1.26 -4.98 116.55 121.04 1ade n ASP 351 Ca -0.00 -3.06 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 1ade n ASP 351 Cb 0.13 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1ade n ASP 351 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ade n GLY 352 N -0.44 3.17 3.78 6.12 0.00 0.49 -5.04 105.19 113.27 1ade n GLY 352 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1ade n GLY 352 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ade s ARG 353 N -0.38 4.21 -0.13 1.61 1.70 -1.26 -4.72 118.95 119.98 1ade s ARG 353 Ca 0.00 1.55 -0.05 0.00 -0.47 0.00 0.00 55.73 56.76 1ade s ARG 353 Cb 0.00 -2.61 -0.04 0.00 -0.57 0.00 0.00 34.95 31.73 1ade s ARG 353 CO 0.00 -0.11 0.05 -1.21 -1.08 0.00 0.00 175.30 172.95 1ade s GLU 354 N -2.38 3.46 0.10 3.89 2.02 -1.26 0.51 118.70 125.04 1ade s GLU 354 Ca 0.56 -0.33 0.09 0.00 0.02 0.00 0.00 54.97 55.31 1ade s GLU 354 Cb -0.23 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1ade s GLU 354 CO 0.29 0.54 -0.22 0.14 0.02 0.00 0.00 175.26 176.04 1ade s VAL 355 N -0.41 1.79 -1.31 2.63 -7.23 0.76 -4.95 120.40 111.68 1ade s VAL 355 Ca 0.09 -1.53 0.14 0.00 -1.81 0.00 0.00 61.98 58.86 1ade s VAL 355 Cb -0.12 -1.61 0.33 0.00 0.56 0.00 0.00 36.38 35.53 1ade s VAL 355 CO 0.02 -0.00 1.24 0.35 -0.31 0.00 0.00 175.10 176.39 1ade n THR 356 N 1.15 0.77 -4.11 5.32 -2.24 -1.26 -1.36 114.28 112.55 1ade n THR 356 Ca -0.19 -0.89 -0.15 0.00 -2.27 0.00 0.00 64.05 60.55 1ade n THR 356 Cb 0.53 0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 69.33 1ade n THR 356 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ade s THR 357 N -1.04 0.75 0.27 4.28 -4.23 -1.26 -4.80 115.64 109.61 1ade s THR 357 Ca 0.26 -1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1ade s THR 357 Cb 0.14 -0.77 -0.11 0.00 1.34 0.00 0.00 72.50 73.10 1ade s THR 357 CO 0.19 -0.30 1.56 0.42 -0.54 0.00 0.00 174.62 175.96 1ade s THR 358 N -1.28 2.23 1.05 3.99 -4.23 -1.26 -4.96 115.64 111.17 1ade s THR 358 Ca -0.06 0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1ade s THR 358 Cb -0.10 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 70.84 1ade s THR 358 CO 0.01 0.03 1.07 -2.16 -0.54 0.00 0.00 174.62 173.03 1ade s PRO 359 N -0.34 0.01 0.83 3.99 0.04 -1.26 -4.97 135.00 133.30 1ade s PRO 359 Ca 0.63 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1ade s PRO 359 Cb -0.46 -1.67 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1ade s PRO 359 CO 0.45 -3.08 1.14 -0.51 0.04 0.00 0.00 177.00 175.05 1ade s LEU 360 N -6.76 3.01 0.36 -3.56 1.43 -1.26 -4.89 118.68 107.02 1ade s LEU 360 Ca 0.66 2.13 0.05 0.00 -1.03 0.00 0.00 54.13 55.94 1ade s LEU 360 Cb -0.21 -4.56 0.70 0.00 0.03 0.00 0.00 46.19 42.15 1ade s LEU 360 CO 0.60 -2.60 1.96 0.00 0.23 0.00 0.00 176.35 176.54 1ade h ALA 361 N -1.28 1.52 0.00 4.21 0.00 -1.91 -1.94 119.26 119.86 1ade h ALA 361 Ca -0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ade h ALA 361 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ade h ALA 361 CO 0.46 0.38 0.00 0.00 0.00 0.00 0.00 179.25 180.09 1ade h ALA 362 N 1.60 1.00 -2.06 0.00 0.00 -1.90 -3.46 119.26 114.44 1ade h ALA 362 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.63 1ade h ALA 362 Cb 0.13 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.10 1ade h ALA 362 CO -0.01 0.00 0.17 0.34 0.00 0.00 0.00 179.25 179.75 1ade s ASP 363 N -4.70 1.37 -1.01 0.00 -1.08 -0.73 -4.93 116.67 105.59 1ade s ASP 363 Ca 0.06 0.65 -0.17 0.00 -0.52 0.00 0.00 52.55 52.57 1ade s ASP 363 Cb 0.10 -0.92 0.15 0.00 -1.46 0.00 0.00 42.92 40.79 1ade s ASP 363 CO 0.49 -3.85 1.18 -0.62 0.52 0.00 0.00 175.17 172.90 1ade s ASP 364 N -3.96 6.79 0.39 -0.34 2.15 -1.26 -4.77 116.67 115.66 1ade s ASP 364 Ca 0.71 -2.41 0.28 0.00 0.43 0.00 0.00 52.55 51.55 1ade s ASP 364 Cb -0.10 -2.38 0.95 0.00 -0.30 0.00 0.00 42.92 41.09 1ade s ASP 364 CO 0.56 -0.91 1.80 -0.50 -0.17 0.00 0.00 175.17 175.95 1ade h TRP 365 N 8.21 0.00 0.00 -5.34 4.06 -1.89 -2.96 115.95 118.03 1ade h TRP 365 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 1ade h TRP 365 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1ade h TRP 365 CO 1.13 0.00 0.00 1.17 -3.56 0.00 0.00 178.44 177.18 1ade n LYS 366 N -2.73 0.03 -0.22 0.49 3.00 -1.26 -2.95 118.16 114.52 1ade n LYS 366 Ca 0.03 0.29 0.04 0.00 -0.00 0.00 0.00 58.31 58.67 1ade n LYS 366 Cb 0.36 -1.56 0.06 0.00 0.00 0.00 0.00 35.03 33.88 1ade n LYS 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ade n GLY 367 N -0.08 2.39 3.78 3.14 0.00 -1.12 -5.05 105.19 108.26 1ade n GLY 367 Ca 0.03 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1ade n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ade s VAL 368 N -1.37 4.28 -0.10 1.61 -7.23 -1.15 -3.49 120.40 112.95 1ade s VAL 368 Ca 0.14 1.76 0.02 0.00 -1.81 0.00 0.00 61.98 62.09 1ade s VAL 368 Cb 0.12 -4.09 0.01 0.00 0.56 0.00 0.00 36.38 32.99 1ade s VAL 368 CO 0.01 0.33 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.29 1ade s GLU 369 N -1.61 2.11 0.45 4.82 2.12 -0.83 -4.93 118.70 120.84 1ade s GLU 369 Ca 0.43 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 55.01 1ade s GLU 369 Cb -0.21 -1.80 -0.09 0.00 0.26 0.00 0.00 34.13 32.29 1ade s GLU 369 CO 0.26 -0.05 1.05 -1.25 -0.54 0.00 0.00 175.26 174.73 1ade s PRO 370 N 0.96 3.95 -0.26 4.30 0.04 -1.26 -0.07 135.00 142.66 1ade s PRO 370 Ca -0.07 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.34 1ade s PRO 370 Cb -0.15 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1ade s PRO 370 CO -0.01 -0.32 0.10 0.42 0.04 0.00 0.00 177.00 177.24 1ade s ILE 371 N -1.81 4.57 -0.00 0.56 1.01 0.63 -4.85 121.20 121.31 1ade s ILE 371 Ca 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.17 1ade s ILE 371 Cb -0.20 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1ade s ILE 371 CO 0.24 0.31 0.13 -0.31 0.00 0.00 0.00 174.94 175.30 1ade s TYR 372 N 1.65 3.39 -0.36 3.97 2.02 -1.26 -1.16 117.35 125.60 1ade s TYR 372 Ca 0.06 0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.92 1ade s TYR 372 Cb -0.15 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1ade s TYR 372 CO 0.06 0.59 0.20 -2.00 -1.57 0.00 0.00 175.55 172.83 1ade s GLU 373 N -1.87 2.95 0.12 -0.62 2.12 -0.57 -4.93 118.70 115.90 1ade s GLU 373 Ca 0.25 -0.99 -0.20 0.00 0.36 0.00 0.00 54.97 54.39 1ade s GLU 373 Cb -0.12 -3.72 -0.07 0.00 0.26 0.00 0.00 34.13 30.48 1ade s GLU 373 CO 0.17 -0.64 0.62 0.99 -0.54 0.00 0.00 175.26 175.86 1ade s THR 374 N 1.58 4.67 0.05 -1.70 2.01 -1.26 -2.15 115.64 118.83 1ade s THR 374 Ca 0.03 1.25 -0.16 0.00 0.31 0.00 0.00 61.69 63.13 1ade s THR 374 Cb -0.19 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.44 1ade s THR 374 CO 0.07 0.45 0.35 0.00 -0.69 0.00 0.00 174.62 174.81 1ade s MET 375 N -1.36 0.87 0.19 4.92 0.23 0.88 -5.00 119.30 120.02 1ade s MET 375 Ca 0.33 -0.47 -0.33 0.00 -1.03 0.00 0.00 55.69 54.20 1ade s MET 375 Cb -0.19 0.38 -0.15 0.00 -1.53 0.00 0.00 34.83 33.35 1ade s MET 375 CO 0.21 -0.29 1.33 -2.30 -2.03 0.00 0.00 175.02 171.93 1ade n PRO 376 N 0.48 1.64 -0.57 3.16 -0.02 -1.26 0.61 135.00 139.04 1ade n PRO 376 Ca -0.18 0.58 -0.03 0.00 -2.02 0.00 0.00 63.50 61.85 1ade n PRO 376 Cb 0.60 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1ade n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ade n GLY 377 N 2.26 -0.16 3.12 -1.23 0.00 -0.26 -4.52 105.19 104.40 1ade n GLY 377 Ca 0.14 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 1ade n GLY 377 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ade s TRP 378 N -0.73 0.11 -0.17 1.61 -2.14 -1.10 -4.86 118.94 111.66 1ade s TRP 378 Ca 0.09 -0.32 0.13 0.00 2.66 0.00 0.00 56.10 58.66 1ade s TRP 378 Cb -0.00 -0.09 -0.20 0.00 -3.10 0.00 0.00 33.47 30.08 1ade s TRP 378 CO 0.06 -0.34 0.03 -1.13 -2.66 0.00 0.00 176.95 172.90 1ade n SER 379 N 1.03 0.99 -4.69 -2.66 3.41 -1.26 -0.67 113.62 109.77 1ade n SER 379 Ca -0.21 -0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 57.96 1ade n SER 379 Cb 0.57 0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 65.26 1ade n SER 379 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ade n GLU 380 N -2.70 2.15 -2.50 4.33 4.71 -1.26 -4.33 120.64 121.05 1ade n GLU 380 Ca -0.29 0.76 -0.42 0.00 -0.01 0.00 0.00 57.16 57.20 1ade n GLU 380 Cb 1.04 -2.39 -0.03 0.00 -1.01 0.00 0.00 31.44 29.04 1ade n GLU 380 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ade s SER 381 N 0.01 7.19 0.00 1.62 0.15 -1.26 -4.72 113.70 116.68 1ade s SER 381 Ca 0.61 1.99 0.12 0.00 0.70 0.00 0.00 55.95 59.37 1ade s SER 381 Cb -0.59 -2.59 0.35 0.00 -1.71 0.00 0.00 66.02 61.48 1ade s SER 381 CO 0.56 -0.35 1.28 0.35 1.20 0.00 0.00 173.24 176.28 1ade n THR 382 N 3.38 0.97 -2.28 6.45 -2.24 -1.26 -4.95 114.28 114.34 1ade n THR 382 Ca 0.06 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.45 1ade n THR 382 Cb 0.47 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1ade n THR 382 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ade s PHE 383 N -1.00 3.30 0.00 4.78 5.36 -1.26 -3.22 117.98 125.94 1ade s PHE 383 Ca 0.27 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1ade s PHE 383 Cb 0.14 -3.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.31 1ade s PHE 383 CO 0.18 -1.34 0.00 0.41 -1.46 0.00 0.00 175.22 173.01 1ade n GLY 384 N 1.32 0.70 3.77 13.12 0.00 -0.36 -4.97 105.19 118.78 1ade n GLY 384 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ade n GLY 384 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ade s VAL 385 N -2.35 2.63 -0.07 1.61 1.01 -1.20 -4.85 120.40 117.18 1ade s VAL 385 Ca 0.00 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1ade s VAL 385 Cb 0.00 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 33.14 1ade s VAL 385 CO 0.00 0.14 1.04 2.29 0.00 0.00 0.00 175.10 178.57 1ade n LYS 386 N 1.03 1.41 -3.88 2.72 2.85 -1.26 -4.64 118.16 116.38 1ade n LYS 386 Ca 0.01 -1.93 -0.09 0.00 -1.05 0.00 0.00 58.31 55.26 1ade n LYS 386 Cb 0.41 -1.15 -0.08 0.00 -0.65 0.00 0.00 35.03 33.56 1ade n LYS 386 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ade s ASP 387 N -1.93 0.15 0.12 -5.58 2.15 -1.26 -4.82 116.67 105.51 1ade s ASP 387 Ca 0.17 -0.65 -0.20 0.00 0.43 0.00 0.00 52.55 52.31 1ade s ASP 387 Cb 0.15 0.31 -0.05 0.00 -0.30 0.00 0.00 42.92 43.03 1ade s ASP 387 CO 0.02 -0.68 1.75 -0.09 -0.17 0.00 0.00 175.17 175.99 1ade h ARG 388 N 2.93 0.15 0.00 4.34 2.43 -1.96 -2.12 114.38 120.15 1ade h ARG 388 Ca -0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1ade h ARG 388 Cb 1.19 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1ade h ARG 388 CO 0.56 0.10 0.24 0.77 -1.51 0.00 0.00 179.97 180.14 1ade h SER 389 N 0.16 0.00 -0.15 -3.80 0.02 -2.02 0.33 113.55 108.09 1ade h SER 389 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ade h SER 389 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1ade h SER 389 CO -0.09 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 1ade n GLY 390 N -1.24 0.10 3.24 -3.77 0.00 -0.80 -4.77 105.19 97.95 1ade n GLY 390 Ca -0.02 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1ade n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ade s LEU 391 N -1.54 3.52 0.26 0.99 1.43 0.12 -4.84 118.68 118.61 1ade s LEU 391 Ca 0.31 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 1ade s LEU 391 Cb 0.16 -1.74 -0.14 0.00 0.03 0.00 0.00 46.19 44.49 1ade s LEU 391 CO 0.25 -0.17 1.05 -0.81 0.23 0.00 0.00 176.35 176.89 1ade n PRO 392 N 4.73 1.31 -0.41 1.29 -0.04 -1.26 -4.63 135.00 135.99 1ade n PRO 392 Ca -0.15 0.46 0.38 0.00 -0.04 0.00 0.00 63.50 64.15 1ade n PRO 392 Cb 0.47 -1.86 0.74 0.00 -0.04 0.00 0.00 33.50 32.81 1ade n PRO 392 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1ade h GLN 393 N 2.34 0.04 -0.55 0.54 5.75 -1.97 0.26 115.11 121.53 1ade h GLN 393 Ca -0.40 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.03 1ade h GLN 393 Cb 1.34 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.86 1ade h GLN 393 CO 0.63 0.02 0.08 0.00 -2.65 0.00 0.00 178.83 176.92 1ade h ALA 394 N 1.35 0.73 -0.51 3.38 0.00 -1.89 -1.52 119.26 120.80 1ade h ALA 394 Ca 0.66 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 1ade h ALA 394 Cb 2.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 20.11 1ade h ALA 394 CO -0.06 0.48 -0.16 0.00 0.00 0.00 0.00 179.25 179.51 1ade h ALA 395 N 0.99 0.75 -0.65 0.00 0.00 -0.81 -1.61 119.26 117.94 1ade h ALA 395 Ca 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1ade h ALA 395 Cb 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ade h ALA 395 CO 0.01 0.67 0.24 -0.07 0.00 0.00 0.00 179.25 180.10 1ade h LEU 396 N 0.87 0.88 -0.68 0.00 3.38 -1.25 -0.38 115.31 118.13 1ade h LEU 396 Ca 0.13 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1ade h LEU 396 Cb 0.73 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ade h LEU 396 CO 0.06 0.80 -0.38 0.78 0.09 0.00 0.00 178.44 179.78 1ade h ASN 397 N 0.93 0.62 -0.04 -0.43 2.35 -1.01 -0.21 115.58 117.79 1ade h ASN 397 Ca 0.22 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1ade h ASN 397 Cb 0.20 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1ade h ASN 397 CO -0.02 0.94 0.03 0.22 -1.65 0.00 0.00 177.43 176.95 1ade h TYR 398 N 0.49 0.05 -0.29 1.19 3.20 -0.38 0.13 116.97 121.36 1ade h TYR 398 Ca 0.05 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1ade h TYR 398 Cb 0.89 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1ade h TYR 398 CO 0.04 0.05 0.08 0.82 -1.64 0.00 0.00 178.16 177.51 1ade h ILE 399 N 0.04 0.89 -0.37 1.81 2.04 -0.94 -2.35 117.51 118.63 1ade h ILE 399 Ca 0.01 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1ade h ILE 399 Cb 0.01 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1ade h ILE 399 CO -0.00 0.04 0.04 0.50 0.00 0.00 0.00 178.15 178.72 1ade h LYS 400 N 0.20 0.15 -0.60 2.37 1.63 -0.58 -2.28 116.57 117.46 1ade h LYS 400 Ca 0.13 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1ade h LYS 400 Cb 0.12 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1ade h LYS 400 CO -0.15 0.10 0.37 0.00 -3.45 0.00 0.00 179.45 176.32 1ade h ARG 401 N 0.15 0.80 -0.48 1.90 2.47 -0.40 -1.82 114.38 117.02 1ade h ARG 401 Ca 0.18 -0.06 0.09 0.00 -1.26 0.00 0.00 59.98 58.92 1ade h ARG 401 Cb 0.23 -0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 28.31 1ade h ARG 401 CO -0.27 0.56 0.04 0.82 0.56 0.00 0.00 179.97 181.68 1ade h ILE 402 N 0.81 0.67 -0.63 2.04 2.04 -0.90 0.66 117.51 122.20 1ade h ILE 402 Ca 0.22 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 1ade h ILE 402 Cb -0.05 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1ade h ILE 402 CO -0.04 0.03 0.24 -0.33 0.00 0.00 0.00 178.15 178.05 1ade h GLU 403 N 0.16 0.93 -0.28 2.37 5.08 -1.21 -1.65 114.58 119.98 1ade h GLU 403 Ca 0.24 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1ade h GLU 403 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ade h GLU 403 CO -0.36 0.76 -0.30 0.93 -1.00 0.00 0.00 179.01 179.04 1ade h GLU 404 N 0.91 0.69 0.00 2.33 5.08 -0.27 0.35 114.58 123.66 1ade h GLU 404 Ca 0.21 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ade h GLU 404 Cb 0.19 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ade h GLU 404 CO -0.02 0.99 0.00 -0.07 -1.00 0.00 0.00 179.01 178.91 1ade h LEU 405 N 0.42 0.00 0.00 1.33 3.38 0.46 -3.32 115.31 117.58 1ade h LEU 405 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1ade h LEU 405 Cb 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1ade h LEU 405 CO 0.07 0.00 -1.44 0.35 0.09 0.00 0.00 178.44 177.52 1ade n THR 406 N -3.01 0.38 -0.57 0.22 -2.24 -0.64 -4.92 114.28 103.50 1ade n THR 406 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1ade n THR 406 Cb 0.30 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1ade n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ade n GLY 407 N 2.50 0.72 3.21 3.38 0.00 0.11 -4.98 105.19 110.13 1ade n GLY 407 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1ade n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ade s VAL 408 N -2.06 1.91 0.49 1.61 1.01 -1.24 -5.06 120.40 117.07 1ade s VAL 408 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1ade s VAL 408 Cb 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1ade s VAL 408 CO 0.00 0.53 1.02 -2.16 0.00 0.00 0.00 175.10 174.49 1ade s PRO 409 N 0.14 3.83 -0.70 2.72 0.04 -1.26 -4.35 135.00 135.42 1ade s PRO 409 Ca -0.11 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1ade s PRO 409 Cb -0.15 -2.11 0.15 0.00 0.04 0.00 0.00 34.50 32.42 1ade s PRO 409 CO 0.06 -0.39 0.75 0.42 0.04 0.00 0.00 177.00 177.88 1ade s ILE 410 N -2.18 5.10 -0.27 0.56 1.01 -1.26 -1.65 121.20 122.51 1ade s ILE 410 Ca 0.64 -1.59 0.26 0.00 0.00 0.00 0.00 60.65 59.96 1ade s ILE 410 Cb -0.14 -4.50 0.35 0.00 0.01 0.00 0.00 42.46 38.19 1ade s ILE 410 CO 0.23 -1.11 1.73 0.44 0.00 0.00 0.00 174.94 176.22 1ade h ASP 411 N 8.68 0.00 -4.47 3.58 3.32 -1.60 -3.46 116.42 122.48 1ade h ASP 411 Ca -0.12 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.77 1ade h ASP 411 Cb 1.07 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.38 1ade h ASP 411 CO 0.99 0.00 -0.55 -0.63 -1.72 0.00 0.00 179.24 177.34 1ade s ILE 412 N -3.35 0.05 -0.16 0.35 1.01 -1.11 0.63 121.20 118.62 1ade s ILE 412 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1ade s ILE 412 Cb 0.06 -0.31 0.04 0.00 0.01 0.00 0.00 42.46 42.26 1ade s ILE 412 CO 0.63 -0.23 -0.04 -0.63 0.00 0.00 0.00 174.94 174.66 1ade s ILE 413 N -0.77 1.01 -0.39 2.92 1.01 -0.02 -0.77 121.20 124.17 1ade s ILE 413 Ca -0.09 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1ade s ILE 413 Cb -0.05 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1ade s ILE 413 CO 0.01 0.14 0.64 -0.55 0.00 0.00 0.00 174.94 175.17 1ade s SER 414 N 1.68 6.38 0.00 3.58 0.15 0.01 -0.84 113.70 124.66 1ade s SER 414 Ca 0.01 -0.07 0.24 0.00 0.70 0.00 0.00 55.95 56.83 1ade s SER 414 Cb -0.15 -2.32 0.32 0.00 -1.71 0.00 0.00 66.02 62.16 1ade s SER 414 CO -0.08 -0.68 1.34 0.35 1.20 0.00 0.00 173.24 175.37 1ade n THR 415 N 5.71 0.15 0.00 6.45 -2.24 -0.59 -4.14 114.28 119.62 1ade n THR 415 Ca -0.01 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1ade n THR 415 Cb 0.48 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1ade n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ade n GLY 416 N 1.38 -0.28 0.19 3.38 0.00 -1.18 -1.22 105.19 107.47 1ade n GLY 416 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1ade n GLY 416 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ade h PRO 417 N 0.00 0.14 -7.13 1.61 0.13 -1.95 -3.45 132.00 121.36 1ade h PRO 417 Ca 0.00 -0.06 -0.50 0.00 -0.87 0.00 0.00 66.00 64.58 1ade h PRO 417 Cb 0.00 -0.01 0.07 0.00 0.13 0.00 0.00 31.00 31.19 1ade h PRO 417 CO 0.00 0.50 0.40 0.34 -0.23 0.00 0.00 178.00 179.01 1ade s ASP 418 N -6.90 5.70 0.43 1.44 2.15 -1.26 -4.92 116.67 113.32 1ade s ASP 418 Ca -0.04 2.03 0.10 0.00 0.43 0.00 0.00 52.55 55.07 1ade s ASP 418 Cb 0.14 -2.56 0.96 0.00 -0.30 0.00 0.00 42.92 41.15 1ade s ASP 418 CO 0.75 -1.23 2.07 -0.09 -0.17 0.00 0.00 175.17 176.51 1ade h ARG 419 N 0.88 0.42 0.00 4.34 1.12 -1.97 -1.72 114.38 117.44 1ade h ARG 419 Ca -0.49 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.36 1ade h ARG 419 Cb 1.24 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1ade h ARG 419 CO 0.57 0.28 0.00 1.79 -3.11 0.00 0.00 179.97 179.49 1ade h THR 420 N 0.43 0.00 -1.20 0.20 1.35 -1.95 -3.34 112.91 108.40 1ade h THR 420 Ca 0.13 -0.66 -0.74 0.00 -0.55 0.00 0.00 66.41 64.59 1ade h THR 420 Cb 0.01 1.63 -0.13 0.00 -1.73 0.00 0.00 68.15 67.92 1ade h THR 420 CO -0.03 0.00 2.35 -0.62 -0.25 0.00 0.00 175.52 176.97 1ade n GLU 421 N -2.89 4.42 -3.88 4.72 1.02 -0.65 -4.86 120.64 118.51 1ade n GLU 421 Ca 0.03 -3.47 -0.11 0.00 -0.02 0.00 0.00 57.16 53.59 1ade n GLU 421 Cb 0.40 -2.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.03 1ade n GLU 421 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ade s THR 422 N -0.87 0.09 -0.24 2.62 2.01 -1.26 -1.55 115.64 116.44 1ade s THR 422 Ca 0.51 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1ade s THR 422 Cb 0.17 -0.45 0.06 0.00 0.01 0.00 0.00 72.50 72.29 1ade s THR 422 CO -0.08 -0.40 -0.05 -0.04 -0.69 0.00 0.00 174.62 173.36 1ade s MET 423 N -1.47 1.65 -0.46 4.92 -1.94 -0.02 -4.86 119.30 117.12 1ade s MET 423 Ca -0.14 -1.07 -0.17 0.00 -1.71 0.00 0.00 55.69 52.59 1ade s MET 423 Cb -0.07 -2.63 0.05 0.00 2.01 0.00 0.00 34.83 34.18 1ade s MET 423 CO 0.01 -0.62 0.47 0.42 -0.01 0.00 0.00 175.02 175.28 1ade s ILE 424 N 1.35 5.09 -0.11 2.53 1.01 -1.26 -0.85 121.20 128.96 1ade s ILE 424 Ca -0.05 -0.64 0.16 0.00 0.00 0.00 0.00 60.65 60.12 1ade s ILE 424 Cb -0.19 -4.13 -0.11 0.00 0.01 0.00 0.00 42.46 38.04 1ade s ILE 424 CO -0.07 -0.57 0.96 -0.07 0.00 0.00 0.00 174.94 175.19 1ade h LEU 425 N 9.11 0.00 0.00 2.97 3.38 -0.14 -3.44 115.31 127.20 1ade h LEU 425 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ade h LEU 425 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1ade h LEU 425 CO 0.86 0.61 -0.21 -1.14 0.09 0.00 0.00 178.44 178.65 1ade n ARG 426 N -2.99 2.52 -2.26 1.13 0.63 -0.85 -5.04 116.66 109.80 1ade n ARG 426 Ca -0.07 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.84 1ade n ARG 426 Cb 0.84 -0.60 -0.02 0.00 0.45 0.00 0.00 32.46 33.13 1ade n ARG 426 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ade n ASP 427 N -0.60 -5.56 -0.25 6.15 -0.08 -1.26 -4.34 116.55 110.60 1ade n ASP 427 Ca 0.00 1.44 0.17 0.00 -1.51 0.00 0.00 54.79 54.89 1ade n ASP 427 Cb 0.06 -4.64 0.46 0.00 2.34 0.00 0.00 41.12 39.34 1ade n ASP 427 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ade h PRO 428 N 3.61 0.49 0.00 -0.67 0.13 -1.95 -2.51 132.00 131.10 1ade h PRO 428 Ca -0.18 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.83 1ade h PRO 428 Cb 0.41 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1ade h PRO 428 CO 0.00 0.33 -0.42 0.74 -0.23 0.00 0.00 178.00 178.42 1ade h PHE 429 N 0.51 0.00 0.00 1.56 0.04 -1.88 -3.20 116.94 113.96 1ade h PHE 429 Ca 0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.24 1ade h PHE 429 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1ade h PHE 429 CO -0.00 0.42 -1.12 -0.25 -0.60 0.00 0.00 178.31 176.75 1ade n ASP 430 N -3.48 0.60 0.00 2.17 8.00 -0.97 -1.60 116.55 121.26 1ade n ASP 430 Ca 0.00 -0.02 0.01 0.00 0.71 0.00 0.00 54.79 55.50 1ade n ASP 430 Cb 0.56 0.82 0.07 0.00 -0.02 0.00 0.00 41.12 42.55 1ade n ASP 430 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81