#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa0 s GLU 2 N 0.00 4.19 -0.01 2.12 2.12 -1.26 -0.76 118.70 125.10 2pa0 s GLU 2 Ca 0.00 2.24 0.04 0.00 0.36 0.00 0.00 54.97 57.60 2pa0 s GLU 2 Cb 0.00 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 2pa0 s GLU 2 CO 0.00 -0.79 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.29 2pa0 s LEU 3 N 3.45 2.00 -0.24 2.70 1.43 -0.16 -2.51 118.68 125.36 2pa0 s LEU 3 Ca 0.73 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 2pa0 s LEU 3 Cb -0.36 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 2pa0 s LEU 3 CO 0.31 0.15 0.01 0.26 0.23 0.00 0.00 176.35 177.31 2pa0 s TRP 4 N -0.25 3.02 -0.32 0.29 0.52 -0.19 -0.41 118.94 121.60 2pa0 s TRP 4 Ca 0.04 -0.74 -0.14 0.00 0.02 0.00 0.00 56.10 55.27 2pa0 s TRP 4 Cb -0.05 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 2pa0 s TRP 4 CO -0.00 -0.48 0.32 -0.51 0.02 0.00 0.00 176.95 176.30 2pa0 s LEU 5 N 1.53 4.34 -0.15 2.99 2.01 0.11 0.48 118.68 129.99 2pa0 s LEU 5 Ca 0.06 -0.15 -0.01 0.00 0.01 0.00 0.00 54.13 54.03 2pa0 s LEU 5 Cb -0.15 -2.29 -0.01 0.00 0.01 0.00 0.00 46.19 43.75 2pa0 s LEU 5 CO -0.00 -0.26 -0.10 -0.69 1.01 0.00 0.00 176.35 176.31 2pa0 s VAL 6 N 1.94 3.21 -0.18 -1.59 1.01 0.10 -1.15 120.40 123.76 2pa0 s VAL 6 Ca 0.11 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 2pa0 s VAL 6 Cb -0.16 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2pa0 s VAL 6 CO 0.11 0.50 0.34 -0.60 0.00 0.00 0.00 175.10 175.45 2pa0 s ARG 7 N 0.59 4.23 0.98 2.72 3.52 -0.39 -0.04 118.95 130.56 2pa0 s ARG 7 Ca -0.06 0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 55.56 2pa0 s ARG 7 Cb -0.15 -3.47 0.13 0.00 -1.56 0.00 0.00 34.95 29.89 2pa0 s ARG 7 CO 0.03 0.13 0.79 -2.39 -0.81 0.00 0.00 175.30 173.04 2pa0 n HIS 8 N 3.93 -0.38 -0.97 5.12 1.44 -1.02 -0.97 115.22 122.37 2pa0 n HIS 8 Ca -0.10 0.25 -0.31 0.00 -2.01 0.00 0.00 57.72 55.55 2pa0 n HIS 8 Cb 0.52 -1.85 0.13 0.00 0.12 0.00 0.00 29.99 28.90 2pa0 n HIS 8 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2pa0 s GLY 9 N -2.33 1.68 0.63 -1.39 0.00 -1.26 -1.50 107.32 103.15 2pa0 s GLY 9 Ca 0.63 0.42 -0.18 0.00 0.00 0.00 0.00 44.72 45.59 2pa0 s GLY 9 CO 0.63 0.81 1.23 -1.83 0.00 0.00 0.00 173.10 173.93 2pa0 s GLU 10 N -4.78 2.72 0.48 2.90 -1.05 -1.26 -4.79 118.70 112.92 2pa0 s GLU 10 Ca 0.64 1.86 0.03 0.00 -0.15 0.00 0.00 54.97 57.35 2pa0 s GLU 10 Cb -0.20 -1.89 -0.04 0.00 -0.44 0.00 0.00 34.13 31.56 2pa0 s GLU 10 CO 0.57 -1.41 0.01 0.95 0.95 0.00 0.00 175.26 176.33 2pa0 s THR 11 N -1.64 1.48 0.43 1.83 -4.23 -1.26 -1.63 115.64 110.62 2pa0 s THR 11 Ca 0.78 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 59.46 2pa0 s THR 11 Cb -0.32 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.24 2pa0 s THR 11 CO 0.37 0.00 1.97 -0.07 -0.54 0.00 0.00 174.62 176.35 2pa0 h LEU 12 N 1.48 0.00 -0.57 4.79 3.38 -1.92 -2.42 115.31 120.05 2pa0 h LEU 12 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2pa0 h LEU 12 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2pa0 h LEU 12 CO 0.76 0.21 0.00 0.79 0.09 0.00 0.00 178.44 180.29 2pa0 n TRP 13 N -4.20 0.57 -0.05 1.13 7.02 -1.26 -1.63 117.44 119.02 2pa0 n TRP 13 Ca -0.02 0.23 -0.13 0.00 -1.02 0.00 0.00 57.50 56.56 2pa0 n TRP 13 Cb 0.27 -0.88 -0.12 0.00 -2.42 0.00 0.00 31.31 28.17 2pa0 n TRP 13 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2pa0 h ASN 14 N 0.00 -0.01 0.83 -0.99 -1.24 -1.71 0.15 115.58 112.61 2pa0 h ASN 14 Ca 0.00 -0.84 0.00 0.00 0.71 0.00 0.00 56.30 56.17 2pa0 h ASN 14 Cb 0.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2pa0 h ASN 14 CO 0.00 0.85 0.00 -2.11 -1.29 0.00 0.00 177.43 174.88 2pa0 n ARG 15 N -4.68 0.06 0.08 6.67 1.85 -1.16 -2.32 116.66 117.15 2pa0 n ARG 15 Ca -0.09 0.05 0.07 0.00 -1.00 0.00 0.00 57.85 56.88 2pa0 n ARG 15 Cb 0.41 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.29 2pa0 n ARG 15 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2pa0 h GLU 16 N 0.00 0.00 -1.07 2.89 5.08 -1.37 -3.49 114.58 116.62 2pa0 h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pa0 h GLU 16 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2pa0 h GLU 16 CO 0.00 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 2pa0 n GLY 17 N 1.27 0.90 3.63 -3.84 0.00 -0.41 -4.88 105.19 101.86 2pa0 n GLY 17 Ca -0.04 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 2pa0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa0 s ARG 18 N -4.70 2.62 0.16 1.61 0.52 0.38 -0.73 118.95 118.81 2pa0 s ARG 18 Ca 0.00 -0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 54.20 2pa0 s ARG 18 Cb 0.00 -2.55 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 2pa0 s ARG 18 CO 0.00 0.60 1.62 -0.51 0.02 0.00 0.00 175.30 177.03 2pa0 s LEU 19 N -1.53 4.37 -0.23 2.53 1.43 -0.43 -4.69 118.68 120.13 2pa0 s LEU 19 Ca 0.18 2.65 0.01 0.00 -1.03 0.00 0.00 54.13 55.95 2pa0 s LEU 19 Cb -0.11 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.57 2pa0 s LEU 19 CO 0.09 -0.87 -0.08 -0.22 0.23 0.00 0.00 176.35 175.50 2pa0 s LEU 20 N 1.42 2.77 0.00 1.79 2.96 -1.26 -0.11 118.68 126.24 2pa0 s LEU 20 Ca 0.72 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 2pa0 s LEU 20 Cb -0.44 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2pa0 s LEU 20 CO 0.32 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 2pa0 n GLY 21 N 4.60 1.10 0.36 7.98 0.00 -1.26 -4.84 105.19 113.13 2pa0 n GLY 21 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2pa0 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pa0 n TRP 22 N 0.00 0.11 -2.24 1.61 7.02 -1.26 -4.62 117.44 118.06 2pa0 n TRP 22 Ca 0.00 -0.06 -0.43 0.00 -1.02 0.00 0.00 57.50 56.00 2pa0 n TRP 22 Cb 0.00 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 2pa0 n TRP 22 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2pa0 s THR 23 N -1.89 3.93 -1.40 -0.99 2.01 -1.26 -4.88 115.64 111.16 2pa0 s THR 23 Ca 0.33 1.08 -0.10 0.00 0.31 0.00 0.00 61.69 63.31 2pa0 s THR 23 Cb 0.17 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 2pa0 s THR 23 CO 0.26 -0.25 2.65 -0.67 -0.69 0.00 0.00 174.62 175.92 2pa0 n ASP 24 N 7.55 7.14 -4.76 3.53 2.03 -1.26 -4.95 116.55 125.82 2pa0 n ASP 24 Ca 0.16 -2.54 -0.40 0.00 0.52 0.00 0.00 54.79 52.54 2pa0 n ASP 24 Cb 0.45 -1.44 -0.04 0.00 -0.72 0.00 0.00 41.12 39.37 2pa0 n ASP 24 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pa0 s LEU 25 N 0.37 4.45 0.69 -2.67 1.43 -1.26 -4.84 118.68 116.85 2pa0 s LEU 25 Ca 0.60 2.27 -0.07 0.00 -1.03 0.00 0.00 54.13 55.89 2pa0 s LEU 25 Cb 0.16 -3.75 0.05 0.00 0.03 0.00 0.00 46.19 42.68 2pa0 s LEU 25 CO -0.05 -0.26 1.01 -2.16 0.23 0.00 0.00 176.35 175.12 2pa0 s PRO 26 N -1.70 2.33 0.67 1.29 0.04 -1.26 -3.87 135.00 132.49 2pa0 s PRO 26 Ca 0.48 -0.15 -0.08 0.00 0.04 0.00 0.00 61.00 61.28 2pa0 s PRO 26 Cb -0.31 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.10 2pa0 s PRO 26 CO 0.39 -1.17 1.01 -1.64 0.04 0.00 0.00 177.00 175.64 2pa0 s MET 27 N -5.24 2.68 0.75 4.56 -1.94 -1.26 -4.55 119.30 114.31 2pa0 s MET 27 Ca 0.59 0.11 -0.05 0.00 -1.71 0.00 0.00 55.69 54.63 2pa0 s MET 27 Cb -0.11 -2.14 0.12 0.00 2.01 0.00 0.00 34.83 34.71 2pa0 s MET 27 CO 0.45 -0.99 1.05 0.95 -0.01 0.00 0.00 175.02 176.47 2pa0 s THR 28 N -3.21 2.17 0.42 2.05 -4.23 -0.65 -4.90 115.64 107.30 2pa0 s THR 28 Ca 0.57 -0.42 0.13 0.00 -1.18 0.00 0.00 61.69 60.79 2pa0 s THR 28 Cb -0.11 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 71.14 2pa0 s THR 28 CO 0.47 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.50 2pa0 h ALA 29 N -0.73 1.60 -0.10 3.99 0.00 -1.98 -1.91 119.26 120.13 2pa0 h ALA 29 Ca -0.40 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 2pa0 h ALA 29 Cb 1.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2pa0 h ALA 29 CO 0.44 0.30 -0.72 1.49 0.00 0.00 0.00 179.25 180.76 2pa0 h GLU 30 N 0.05 0.49 -0.77 0.00 4.57 -1.93 -2.11 114.58 114.89 2pa0 h GLU 30 Ca 0.01 -0.39 -0.05 0.00 -1.18 0.00 0.00 59.36 57.75 2pa0 h GLU 30 Cb 0.39 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2pa0 h GLU 30 CO 0.03 1.02 0.27 0.78 -1.18 0.00 0.00 179.01 179.93 2pa0 h GLY 31 N 1.13 1.26 0.95 1.92 0.00 -1.51 0.62 103.07 107.44 2pa0 h GLY 31 Ca -0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 2pa0 h GLY 31 CO 0.13 0.67 0.00 0.83 0.00 0.00 0.00 176.54 178.17 2pa0 h GLU 32 N 1.13 0.72 -0.77 4.80 5.08 -1.33 -0.28 114.58 123.93 2pa0 h GLU 32 Ca 0.25 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2pa0 h GLU 32 Cb 0.26 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2pa0 h GLU 32 CO -0.01 0.81 0.51 0.00 -1.00 0.00 0.00 179.01 179.31 2pa0 h ALA 33 N 0.89 1.46 -0.55 3.43 0.00 -0.94 0.15 119.26 123.70 2pa0 h ALA 33 Ca 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2pa0 h ALA 33 Cb 0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2pa0 h ALA 33 CO 0.02 0.50 0.08 1.96 0.00 0.00 0.00 179.25 181.81 2pa0 h GLN 34 N 1.03 0.91 -0.31 0.00 4.20 -0.39 -1.96 115.11 118.59 2pa0 h GLN 34 Ca 0.28 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2pa0 h GLN 34 Cb -0.11 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2pa0 h GLN 34 CO -0.06 0.89 0.15 0.00 -0.67 0.00 0.00 178.83 179.13 2pa0 h ALA 35 N 0.99 0.40 -1.01 3.87 0.00 0.11 -2.75 119.26 120.87 2pa0 h ALA 35 Ca 0.17 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2pa0 h ALA 35 Cb 0.42 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2pa0 h ALA 35 CO 0.01 -0.03 0.67 0.00 0.00 0.00 0.00 179.25 179.90 2pa0 h ARG 36 N 0.36 1.31 -0.02 0.00 3.08 -0.88 -1.94 114.38 116.29 2pa0 h ARG 36 Ca 0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2pa0 h ARG 36 Cb 0.13 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2pa0 h ARG 36 CO -0.01 0.86 0.02 0.00 -1.07 0.00 0.00 179.97 179.77 2pa0 h ARG 37 N 1.35 0.00 0.00 0.04 3.08 -1.06 -1.64 114.38 116.15 2pa0 h ARG 37 Ca 0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.40 2pa0 h ARG 37 Cb -0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2pa0 h ARG 37 CO -0.09 0.00 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.63 2pa0 h LEU 38 N 0.00 0.00 -1.64 3.04 3.38 -1.23 -3.20 115.31 115.66 2pa0 h LEU 38 Ca 0.01 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2pa0 h LEU 38 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2pa0 h LEU 38 CO -0.00 0.11 0.52 0.50 0.09 0.00 0.00 178.44 179.65 2pa0 h LYS 39 N 0.00 0.33 -0.64 1.13 3.64 -1.37 -0.05 116.57 119.62 2pa0 h LYS 39 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2pa0 h LYS 39 Cb 0.71 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2pa0 h LYS 39 CO 0.01 0.22 0.00 0.41 -2.27 0.00 0.00 179.45 177.82 2pa0 n GLY 40 N -1.55 2.13 0.76 5.01 0.00 -1.21 -4.42 105.19 105.91 2pa0 n GLY 40 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2pa0 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa0 n ALA 41 N 0.67 2.53 -1.78 4.61 0.00 -0.10 -5.08 120.51 121.36 2pa0 n ALA 41 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2pa0 n ALA 41 Cb 0.74 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 20.46 2pa0 n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pa0 s LEU 42 N -4.92 4.41 0.65 0.00 1.43 -0.75 -5.02 118.68 114.49 2pa0 s LEU 42 Ca 0.00 2.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.70 2pa0 s LEU 42 Cb 0.00 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 2pa0 s LEU 42 CO 0.00 -0.58 1.05 -2.16 0.23 0.00 0.00 176.35 174.89 2pa0 s PRO 43 N -1.69 3.16 -1.26 1.29 0.04 -1.26 -4.96 135.00 130.32 2pa0 s PRO 43 Ca 0.50 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 2pa0 s PRO 43 Cb -0.40 -2.02 0.18 0.00 0.04 0.00 0.00 34.50 32.29 2pa0 s PRO 43 CO 0.53 -0.92 1.82 -1.13 0.04 0.00 0.00 177.00 177.33 2pa0 n SER 44 N -2.75 5.19 -4.88 6.66 3.41 -1.26 -4.95 113.62 115.04 2pa0 n SER 44 Ca 0.08 -3.12 -0.21 0.00 -0.26 0.00 0.00 58.87 55.36 2pa0 n SER 44 Cb 0.53 -1.47 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 2pa0 n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pa0 s LEU 45 N -0.19 3.63 0.33 1.04 1.43 -1.26 -5.05 118.68 118.60 2pa0 s LEU 45 Ca 0.39 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 2pa0 s LEU 45 Cb 0.08 -2.27 -0.13 0.00 0.03 0.00 0.00 46.19 43.90 2pa0 s LEU 45 CO 0.01 -0.40 1.05 -2.65 0.23 0.00 0.00 176.35 174.59 2pa0 n PRO 46 N -1.43 1.49 -4.58 1.29 -0.02 -1.26 -4.51 135.00 125.98 2pa0 n PRO 46 Ca -0.01 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 2pa0 n PRO 46 Cb 0.60 -1.97 -0.12 0.00 -0.02 0.00 0.00 33.50 31.99 2pa0 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pa0 s ALA 47 N -1.12 2.72 0.11 3.55 0.00 -1.26 -0.77 121.76 124.98 2pa0 s ALA 47 Ca 0.59 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2pa0 s ALA 47 Cb -0.65 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 2pa0 s ALA 47 CO 0.60 0.59 -0.07 -0.06 0.00 0.00 0.00 175.76 176.81 2pa0 s PHE 48 N -0.97 0.96 -0.07 0.00 0.40 -0.52 -1.78 117.98 116.01 2pa0 s PHE 48 Ca 0.16 -0.86 -0.31 0.00 -0.60 0.00 0.00 56.93 55.32 2pa0 s PHE 48 Cb -0.11 -0.54 0.08 0.00 0.51 0.00 0.00 43.02 42.96 2pa0 s PHE 48 CO 0.06 -0.10 0.73 0.45 0.70 0.00 0.00 175.22 177.06 2pa0 s SER 49 N -2.99 -0.62 0.45 1.36 0.15 0.29 -1.69 113.70 110.64 2pa0 s SER 49 Ca 0.12 0.68 -0.25 0.00 0.70 0.00 0.00 55.95 57.20 2pa0 s SER 49 Cb 0.04 0.52 -0.08 0.00 -1.71 0.00 0.00 66.02 64.78 2pa0 s SER 49 CO -0.03 -0.57 1.42 -0.24 1.20 0.00 0.00 173.24 175.02 2pa0 n SER 50 N 0.91 3.24 0.00 5.45 2.88 -0.56 -1.31 113.62 124.23 2pa0 n SER 50 Ca -0.18 1.12 0.11 0.00 -1.33 0.00 0.00 58.87 58.59 2pa0 n SER 50 Cb 0.57 -1.59 0.48 0.00 -0.75 0.00 0.00 64.21 62.92 2pa0 n SER 50 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2pa0 n ASP 51 N -0.15 0.00 -4.77 -3.46 5.75 -1.25 -3.94 116.55 108.73 2pa0 n ASP 51 Ca 0.05 0.48 -0.41 0.00 -0.01 0.00 0.00 54.79 54.90 2pa0 n ASP 51 Cb 0.41 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 2pa0 n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2pa0 s LEU 52 N -2.98 4.40 0.22 -2.12 1.43 -1.26 -4.79 118.68 113.57 2pa0 s LEU 52 Ca 0.11 2.73 -0.20 0.00 -1.03 0.00 0.00 54.13 55.74 2pa0 s LEU 52 Cb 0.15 -3.67 0.18 0.00 0.03 0.00 0.00 46.19 42.87 2pa0 s LEU 52 CO 0.40 -0.60 1.55 0.25 0.23 0.00 0.00 176.35 178.18 2pa0 h LEU 53 N 3.28 -1.57 -1.47 1.79 5.85 -1.87 -1.39 115.31 119.93 2pa0 h LEU 53 Ca -0.49 0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.59 2pa0 h LEU 53 Cb 1.23 0.79 -0.04 0.00 0.37 0.00 0.00 40.66 43.01 2pa0 h LEU 53 CO 0.65 -0.28 0.41 0.08 -0.34 0.00 0.00 178.44 178.96 2pa0 h ARG 54 N -0.01 0.65 -0.02 1.25 0.11 -1.91 -0.71 114.38 113.75 2pa0 h ARG 54 Ca 0.31 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 60.18 2pa0 h ARG 54 Cb 0.56 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 31.51 2pa0 h ARG 54 CO -0.97 0.43 -0.65 0.00 0.10 0.00 0.00 179.97 178.88 2pa0 h ALA 55 N 1.65 0.10 -0.36 0.08 0.00 -1.57 -2.90 119.26 116.26 2pa0 h ALA 55 Ca 0.26 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2pa0 h ALA 55 Cb 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2pa0 h ALA 55 CO -0.08 0.40 0.21 0.00 0.00 0.00 0.00 179.25 179.78 2pa0 h ARG 56 N -0.00 0.41 0.00 0.00 3.08 -0.90 -2.11 114.38 114.86 2pa0 h ARG 56 Ca -0.08 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2pa0 h ARG 56 Cb 1.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2pa0 h ARG 56 CO 0.13 0.27 -0.45 0.00 -1.07 0.00 0.00 179.97 178.85 2pa0 h ARG 57 N 0.42 0.00 -0.21 0.04 3.08 -1.24 -1.30 114.38 115.17 2pa0 h ARG 57 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2pa0 h ARG 57 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2pa0 h ARG 57 CO -0.07 0.45 0.06 1.15 -1.07 0.00 0.00 179.97 180.50 2pa0 h THR 58 N 0.00 1.19 -0.22 2.04 2.02 -1.27 0.16 112.91 116.83 2pa0 h THR 58 Ca -0.00 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.59 2pa0 h THR 58 Cb 0.85 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2pa0 h THR 58 CO 0.06 0.19 0.07 0.00 0.37 0.00 0.00 175.52 176.21 2pa0 h ALA 59 N 0.89 0.25 0.26 6.16 0.00 -1.10 0.33 119.26 126.05 2pa0 h ALA 59 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2pa0 h ALA 59 Cb 0.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pa0 h ALA 59 CO -0.00 -0.35 -0.16 1.49 0.00 0.00 0.00 179.25 180.23 2pa0 h GLU 60 N 0.17 -0.39 0.00 0.00 4.81 -1.02 0.77 114.58 118.92 2pa0 h GLU 60 Ca 0.10 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2pa0 h GLU 60 Cb 0.07 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2pa0 h GLU 60 CO -0.11 -0.26 -0.03 -0.07 -0.73 0.00 0.00 179.01 177.81 2pa0 h LEU 61 N -0.40 0.00 -0.48 1.64 3.38 -0.50 0.39 115.31 119.34 2pa0 h LEU 61 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pa0 h LEU 61 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2pa0 h LEU 61 CO 0.03 0.03 -0.09 0.00 0.09 0.00 0.00 178.44 178.51 2pa0 n ALA 62 N -2.17 2.75 -0.90 1.53 0.00 0.09 -4.04 120.51 117.76 2pa0 n ALA 62 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2pa0 n ALA 62 Cb 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2pa0 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pa0 n GLY 63 N 1.22 1.09 3.50 0.00 0.00 0.13 -4.09 105.19 107.04 2pa0 n GLY 63 Ca 0.17 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 2pa0 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pa0 s PHE 64 N -2.00 2.34 -0.60 1.61 0.40 0.21 -5.01 117.98 114.94 2pa0 s PHE 64 Ca 0.00 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 2pa0 s PHE 64 Cb 0.00 -1.15 0.19 0.00 0.51 0.00 0.00 43.02 42.56 2pa0 s PHE 64 CO 0.00 0.66 0.50 0.43 0.70 0.00 0.00 175.22 177.51 2pa0 n SER 65 N -0.70 2.02 -4.80 1.36 7.64 -1.26 -3.84 113.62 114.04 2pa0 n SER 65 Ca -0.05 -2.99 -0.34 0.00 1.01 0.00 0.00 58.87 56.49 2pa0 n SER 65 Cb 0.61 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 2pa0 n SER 65 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2pa0 s PRO 66 N -1.23 3.76 0.15 1.43 0.04 -1.26 -4.79 135.00 133.10 2pa0 s PRO 66 Ca 0.30 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2pa0 s PRO 66 Cb 0.03 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2pa0 s PRO 66 CO -0.15 -0.47 1.00 1.03 0.04 0.00 0.00 177.00 178.46 2pa0 s ARG 67 N -3.25 4.69 -0.08 4.56 0.52 -0.73 -4.83 118.95 119.83 2pa0 s ARG 67 Ca 0.68 1.55 -0.20 0.00 -0.52 0.00 0.00 55.73 57.24 2pa0 s ARG 67 Cb -0.17 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2pa0 s ARG 67 CO 0.21 0.22 0.56 -0.51 0.02 0.00 0.00 175.30 175.79 2pa0 s LEU 68 N -0.32 4.32 -0.13 2.53 1.43 -1.26 -0.55 118.68 124.70 2pa0 s LEU 68 Ca 0.47 0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 54.52 2pa0 s LEU 68 Cb -0.26 -2.84 0.05 0.00 0.03 0.00 0.00 46.19 43.17 2pa0 s LEU 68 CO 0.32 -0.01 0.06 -0.31 0.23 0.00 0.00 176.35 176.64 2pa0 s TYR 69 N 0.49 0.40 0.60 0.29 1.51 -0.42 -4.94 117.35 115.28 2pa0 s TYR 69 Ca 0.30 -0.26 0.42 0.00 -1.01 0.00 0.00 57.07 56.52 2pa0 s TYR 69 Cb -0.16 -0.72 2.27 0.00 -0.11 0.00 0.00 41.96 43.23 2pa0 s TYR 69 CO 0.14 -0.43 2.28 -1.35 -1.11 0.00 0.00 175.55 175.08 2pa0 h PRO 70 N 8.38 0.00 0.00 -1.71 0.11 -1.95 -1.70 132.00 135.13 2pa0 h PRO 70 Ca -0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 2pa0 h PRO 70 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pa0 h PRO 70 CO 0.26 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 178.95 2pa0 h GLU 71 N 0.00 0.00 -0.18 1.05 3.07 -1.94 -1.86 114.58 114.72 2pa0 h GLU 71 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pa0 h GLU 71 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2pa0 h GLU 71 CO 0.00 0.04 0.00 1.28 -1.40 0.00 0.00 179.01 178.93 2pa0 n LEU 72 N -3.39 1.38 -4.75 1.33 4.77 -0.64 -4.26 117.00 111.44 2pa0 n LEU 72 Ca -0.02 -0.62 -0.34 0.00 -0.03 0.00 0.00 56.01 55.00 2pa0 n LEU 72 Cb 0.16 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2pa0 n LEU 72 CO 0.25 0.31 0.79 -0.13 -1.33 0.00 0.00 177.39 177.28 2pa0 s ARG 73 N -1.77 2.75 1.18 3.23 0.52 -0.70 -4.19 118.95 119.97 2pa0 s ARG 73 Ca 0.27 1.62 -0.16 0.00 -0.52 0.00 0.00 55.73 56.95 2pa0 s ARG 73 Cb 0.14 -1.92 0.28 0.00 0.52 0.00 0.00 34.95 33.97 2pa0 s ARG 73 CO 0.21 -1.33 1.04 -2.00 0.02 0.00 0.00 175.30 173.24 2pa0 s GLU 74 N -3.74 -1.01 0.48 3.54 2.56 -1.26 -4.87 118.70 114.40 2pa0 s GLU 74 Ca 0.72 0.43 -0.22 0.00 0.00 0.00 0.00 54.97 55.90 2pa0 s GLU 74 Cb -0.26 -1.58 -0.07 0.00 2.00 0.00 0.00 34.13 34.22 2pa0 s GLU 74 CO 0.38 -3.68 1.13 -1.50 -0.56 0.00 0.00 175.26 171.03 2pa0 s ILE 75 N -2.68 3.28 -0.39 -3.70 2.07 -1.26 -4.75 121.20 113.77 2pa0 s ILE 75 Ca 0.68 0.89 -0.26 0.00 -1.41 0.00 0.00 60.65 60.56 2pa0 s ILE 75 Cb -0.18 -3.42 0.02 0.00 0.13 0.00 0.00 42.46 39.01 2pa0 s ILE 75 CO 0.60 -0.08 0.92 -2.28 -1.91 0.00 0.00 174.94 172.19 2pa0 s HIS 76 N -1.68 3.05 -1.83 3.50 5.65 -1.26 -4.20 115.29 118.52 2pa0 s HIS 76 Ca 0.66 0.68 0.29 0.00 0.25 0.00 0.00 55.06 56.94 2pa0 s HIS 76 Cb -0.25 -3.70 1.68 0.00 -1.18 0.00 0.00 32.58 29.13 2pa0 s HIS 76 CO 0.30 -0.88 2.07 1.19 -0.65 0.00 0.00 174.74 176.77 2pa0 n PHE 77 N 6.84 0.00 0.00 3.88 3.72 -1.26 -0.98 117.46 129.66 2pa0 n PHE 77 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2pa0 n PHE 77 Cb 0.48 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2pa0 n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pa0 n GLY 78 N 0.94 3.43 0.25 1.37 0.00 -1.26 -0.85 105.19 109.07 2pa0 n GLY 78 Ca 0.20 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.31 2pa0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa0 h ALA 79 N -0.82 1.00 -0.07 4.61 0.00 -1.29 -2.03 119.26 120.67 2pa0 h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pa0 h ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2pa0 h ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2pa0 n LEU 80 N -2.67 0.97 -4.73 0.00 4.77 -0.03 -4.84 117.00 110.47 2pa0 n LEU 80 Ca -0.02 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 2pa0 n LEU 80 Cb 0.08 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2pa0 n LEU 80 CO 0.16 0.19 1.34 -1.61 -1.33 0.00 0.00 177.39 176.13 2pa0 s GLU 81 N -1.92 4.12 0.00 3.23 0.41 -0.77 -1.61 118.70 122.17 2pa0 s GLU 81 Ca 0.35 2.60 0.00 0.00 -0.41 0.00 0.00 54.97 57.50 2pa0 s GLU 81 Cb 0.18 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 2pa0 s GLU 81 CO 0.28 -0.72 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 2pa0 n GLY 82 N 3.46 0.72 3.75 -1.39 0.00 0.85 -4.96 105.19 107.61 2pa0 n GLY 82 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2pa0 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa0 s ALA 83 N -3.03 3.44 0.12 4.61 0.00 -0.63 -4.62 121.76 121.65 2pa0 s ALA 83 Ca 0.00 0.99 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 2pa0 s ALA 83 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 2pa0 s ALA 83 CO 0.00 -0.35 1.48 -0.51 0.00 0.00 0.00 175.76 176.37 2pa0 s LEU 84 N -0.83 4.37 0.28 0.00 1.43 -1.26 -1.31 118.68 121.36 2pa0 s LEU 84 Ca 0.50 2.43 -0.03 0.00 -1.03 0.00 0.00 54.13 56.00 2pa0 s LEU 84 Cb -0.34 -3.58 0.40 0.00 0.03 0.00 0.00 46.19 42.70 2pa0 s LEU 84 CO 0.40 -0.74 1.94 -0.25 0.23 0.00 0.00 176.35 177.94 2pa0 h TRP 85 N 7.04 1.12 -0.98 0.29 2.91 -1.27 -2.39 115.95 122.67 2pa0 h TRP 85 Ca -0.42 0.03 0.15 0.00 1.13 0.00 0.00 58.89 59.78 2pa0 h TRP 85 Cb 1.20 -0.38 -0.09 0.00 -0.51 0.00 0.00 29.16 29.38 2pa0 h TRP 85 CO 0.67 0.68 0.60 1.49 -1.03 0.00 0.00 178.44 180.85 2pa0 h GLU 86 N 1.19 0.84 -0.40 2.65 4.81 -1.90 -2.40 114.58 119.36 2pa0 h GLU 86 Ca 0.34 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2pa0 h GLU 86 Cb -0.07 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.12 2pa0 h GLU 86 CO -0.09 0.55 0.00 0.25 -0.73 0.00 0.00 179.01 179.00 2pa0 n THR 87 N -4.71 0.52 -1.78 0.32 -2.24 -0.92 -4.98 114.28 100.49 2pa0 n THR 87 Ca 0.20 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 2pa0 n THR 87 Cb 0.44 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 2pa0 n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pa0 s LEU 88 N -1.41 4.35 0.39 3.22 1.43 -0.91 -4.92 118.68 120.83 2pa0 s LEU 88 Ca 0.39 2.91 -0.25 0.00 -1.03 0.00 0.00 54.13 56.14 2pa0 s LEU 88 Cb 0.22 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.70 2pa0 s LEU 88 CO 0.31 -0.92 1.02 0.47 0.23 0.00 0.00 176.35 177.46 2pa0 n ASP 89 N 2.63 1.35 -0.35 2.29 8.00 -1.26 -4.68 116.55 124.53 2pa0 n ASP 89 Ca 0.10 1.07 0.14 0.00 0.71 0.00 0.00 54.79 56.82 2pa0 n ASP 89 Cb 0.37 -1.35 0.35 0.00 -0.02 0.00 0.00 41.12 40.47 2pa0 n ASP 89 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2pa0 h PRO 90 N 1.69 0.69 -0.68 -0.24 0.11 -1.99 -0.77 132.00 130.80 2pa0 h PRO 90 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2pa0 h PRO 90 Cb 1.33 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2pa0 h PRO 90 CO 0.58 0.45 0.39 0.07 -0.21 0.00 0.00 178.00 179.28 2pa0 h ARG 91 N 0.71 0.93 -0.05 1.05 0.11 -1.99 0.32 114.38 115.46 2pa0 h ARG 91 Ca 0.59 -0.09 -0.23 0.00 0.10 0.00 0.00 59.98 60.35 2pa0 h ARG 91 Cb 0.99 -0.19 0.01 0.00 1.11 0.00 0.00 29.97 31.89 2pa0 h ARG 91 CO -0.39 0.67 -0.90 1.88 0.10 0.00 0.00 179.97 181.33 2pa0 h TYR 92 N 0.94 0.86 -0.21 4.08 0.05 -1.50 -0.26 116.97 120.94 2pa0 h TYR 92 Ca 0.24 -0.43 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 2pa0 h TYR 92 Cb -0.01 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 2pa0 h TYR 92 CO 0.00 1.25 0.06 0.87 -1.05 0.00 0.00 178.16 179.30 2pa0 h LYS 93 N 0.37 0.33 0.51 4.88 1.57 -0.97 -0.06 116.57 123.20 2pa0 h LYS 93 Ca -0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2pa0 h LYS 93 Cb 1.53 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 2pa0 h LYS 93 CO 0.17 0.43 -0.45 0.93 -0.57 0.00 0.00 179.45 179.96 2pa0 h GLU 94 N 0.16 -0.92 -0.66 3.15 5.08 -0.37 0.11 114.58 121.14 2pa0 h GLU 94 Ca 0.07 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.63 2pa0 h GLU 94 Cb 0.24 0.21 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 2pa0 h GLU 94 CO -0.00 -0.61 -0.06 0.00 -1.00 0.00 0.00 179.01 177.34 2pa0 h ALA 95 N -0.71 0.58 0.00 3.43 0.00 -0.95 0.73 119.26 122.34 2pa0 h ALA 95 Ca -0.06 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pa0 h ALA 95 Cb 0.82 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pa0 h ALA 95 CO -0.03 -0.41 -0.02 -0.07 0.00 0.00 0.00 179.25 178.71 2pa0 h LEU 96 N 0.07 0.00 0.03 0.00 3.38 -0.69 -2.79 115.31 115.30 2pa0 h LEU 96 Ca 0.34 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.99 2pa0 h LEU 96 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2pa0 h LEU 96 CO -0.61 0.02 -1.84 0.18 0.09 0.00 0.00 178.44 176.28 2pa0 n LEU 97 N -3.12 1.25 0.09 1.67 4.77 0.10 -4.29 117.00 117.47 2pa0 n LEU 97 Ca 0.01 0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 56.25 2pa0 n LEU 97 Cb 0.34 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2pa0 n LEU 97 CO 0.29 0.51 0.25 0.03 -1.33 0.00 0.00 177.39 177.13 2pa0 h ARG 98 N 0.02 0.10 -4.04 3.23 3.08 0.30 -3.48 114.38 113.59 2pa0 h ARG 98 Ca -0.34 -0.12 -0.37 0.00 0.07 0.00 0.00 59.98 59.21 2pa0 h ARG 98 Cb 2.03 0.04 0.05 0.00 0.08 0.00 0.00 29.97 32.18 2pa0 h ARG 98 CO 0.07 0.92 -0.55 1.19 -1.07 0.00 0.00 179.97 180.53 2pa0 n PHE 99 N -3.59 -1.76 0.18 3.04 3.72 -1.06 -4.88 117.46 113.12 2pa0 n PHE 99 Ca -0.02 0.46 0.02 0.00 -0.05 0.00 0.00 57.45 57.85 2pa0 n PHE 99 Cb 0.82 -4.18 0.00 0.00 -0.94 0.00 0.00 39.48 35.19 2pa0 n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pa0 n GLN 100 N -3.70 1.65 0.00 -1.08 10.64 -1.26 -5.07 117.38 118.56 2pa0 n GLN 100 Ca -0.11 -0.50 0.00 0.00 -1.83 0.00 0.00 57.00 54.56 2pa0 n GLN 100 Cb 0.61 -0.95 0.00 0.00 -0.86 0.00 0.00 30.24 29.05 2pa0 n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pa0 n GLY 101 N 0.52 2.19 3.53 2.61 0.00 -1.26 -5.05 105.19 107.72 2pa0 n GLY 101 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2pa0 n GLY 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pa0 s PHE 102 N -1.49 -1.13 -0.51 1.61 5.36 -1.26 -4.57 117.98 115.99 2pa0 s PHE 102 Ca 0.00 2.05 0.06 0.00 -0.96 0.00 0.00 56.93 58.07 2pa0 s PHE 102 Cb 0.00 0.63 0.21 0.00 -0.34 0.00 0.00 43.02 43.51 2pa0 s PHE 102 CO 0.00 -0.59 0.49 0.72 -1.46 0.00 0.00 175.22 174.39 2pa0 n HIS 103 N 5.24 0.86 -2.32 10.12 8.25 -1.26 -1.59 115.22 134.52 2pa0 n HIS 103 Ca -0.13 -3.73 -0.41 0.00 -0.26 0.00 0.00 57.72 53.20 2pa0 n HIS 103 Cb 0.51 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 2pa0 n HIS 103 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2pa0 s PRO 104 N -1.03 4.50 0.24 -0.41 0.04 -1.26 -4.95 135.00 132.12 2pa0 s PRO 104 Ca 0.33 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 63.03 2pa0 s PRO 104 Cb 0.08 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 31.34 2pa0 s PRO 104 CO -0.14 -0.01 1.64 -2.30 0.04 0.00 0.00 177.00 176.24 2pa0 n PRO 105 N 1.43 2.64 -0.86 0.56 -0.02 -1.26 -0.84 135.00 136.65 2pa0 n PRO 105 Ca 0.01 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2pa0 n PRO 105 Cb 0.44 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2pa0 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa0 n GLY 106 N 3.13 0.26 0.00 -1.23 0.00 -1.26 -0.94 105.19 105.15 2pa0 n GLY 106 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2pa0 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa0 n GLY 107 N -1.11 4.29 3.56 -0.02 0.00 -0.02 -4.28 105.19 107.59 2pa0 n GLY 107 Ca 0.00 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 2pa0 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pa0 s GLU 108 N 1.24 3.20 0.54 1.61 2.12 -0.15 -4.84 118.70 122.41 2pa0 s GLU 108 Ca 0.00 -0.52 -0.17 0.00 0.36 0.00 0.00 54.97 54.64 2pa0 s GLU 108 Cb 0.00 -2.76 -0.06 0.00 0.26 0.00 0.00 34.13 31.57 2pa0 s GLU 108 CO 0.00 0.48 1.03 -1.54 -0.54 0.00 0.00 175.26 174.69 2pa0 s SER 109 N -0.30 6.17 0.34 -1.70 1.04 -1.26 -4.51 113.70 113.48 2pa0 s SER 109 Ca 0.05 1.77 0.08 0.00 0.48 0.00 0.00 55.95 58.33 2pa0 s SER 109 Cb -0.13 -2.53 0.78 0.00 0.10 0.00 0.00 66.02 64.25 2pa0 s SER 109 CO 0.02 -0.90 1.83 0.25 0.98 0.00 0.00 173.24 175.43 2pa0 h LEU 110 N 0.87 0.71 -0.11 2.42 5.85 -1.66 -0.85 115.31 122.54 2pa0 h LEU 110 Ca -0.47 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2pa0 h LEU 110 Cb 1.21 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2pa0 h LEU 110 CO 0.59 0.32 0.03 -1.28 -0.34 0.00 0.00 178.44 177.76 2pa0 h SER 111 N 0.73 0.03 0.30 1.25 0.87 -1.92 -1.20 113.55 113.61 2pa0 h SER 111 Ca 0.50 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 61.00 2pa0 h SER 111 Cb 0.80 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2pa0 h SER 111 CO -0.26 0.03 -0.34 0.00 -0.53 0.00 0.00 176.83 175.73 2pa0 h ALA 112 N 1.07 1.37 0.23 6.23 0.00 -1.64 -2.12 119.26 124.41 2pa0 h ALA 112 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2pa0 h ALA 112 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pa0 h ALA 112 CO -0.05 0.46 -0.11 0.35 0.00 0.00 0.00 179.25 179.89 2pa0 h PHE 113 N 0.06 -0.29 -0.32 0.00 3.57 -0.75 -2.46 116.94 116.74 2pa0 h PHE 113 Ca 0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2pa0 h PHE 113 Cb 0.63 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2pa0 h PHE 113 CO 0.00 -0.06 0.20 1.96 -2.23 0.00 0.00 178.31 178.18 2pa0 h GLN 114 N -0.48 0.44 -0.82 1.11 4.20 -1.07 -0.22 115.11 118.28 2pa0 h GLN 114 Ca -0.03 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.75 2pa0 h GLN 114 Cb 0.36 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.97 2pa0 h GLN 114 CO 0.05 0.33 0.45 1.49 -0.67 0.00 0.00 178.83 180.48 2pa0 h GLU 115 N 0.42 0.70 0.41 1.46 4.81 -1.39 0.19 114.58 121.18 2pa0 h GLU 115 Ca 0.12 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2pa0 h GLU 115 Cb 0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2pa0 h GLU 115 CO -0.02 0.46 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.44 2pa0 h ARG 116 N 0.72 -0.53 0.11 1.92 2.43 -1.02 -1.80 114.38 116.21 2pa0 h ARG 116 Ca 0.41 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.61 2pa0 h ARG 116 Cb 0.45 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2pa0 h ARG 116 CO -0.28 -0.25 -0.05 0.28 -1.51 0.00 0.00 179.97 178.15 2pa0 h VAL 117 N -0.75 0.94 0.00 0.20 2.07 -0.55 -2.57 116.25 115.60 2pa0 h VAL 117 Ca -0.06 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2pa0 h VAL 117 Cb 0.52 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2pa0 h VAL 117 CO 0.09 0.05 -0.32 -0.26 0.02 0.00 0.00 177.57 177.15 2pa0 h PHE 118 N -0.24 0.00 -0.40 1.57 0.04 -0.74 -1.48 116.94 115.70 2pa0 h PHE 118 Ca -0.02 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 2pa0 h PHE 118 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2pa0 h PHE 118 CO -0.04 0.32 -0.25 -0.09 -0.60 0.00 0.00 178.31 177.64 2pa0 h ARG 119 N 0.00 0.88 -0.16 1.51 2.43 -1.27 -1.28 114.38 116.50 2pa0 h ARG 119 Ca -0.00 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2pa0 h ARG 119 Cb 0.76 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2pa0 h ARG 119 CO 0.04 1.06 0.08 0.35 -1.51 0.00 0.00 179.97 179.99 2pa0 h PHE 120 N 0.70 0.22 -0.44 2.20 3.57 -1.05 -2.05 116.94 120.09 2pa0 h PHE 120 Ca 0.08 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2pa0 h PHE 120 Cb 0.83 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2pa0 h PHE 120 CO 0.06 0.24 0.28 -0.07 -2.23 0.00 0.00 178.31 176.60 2pa0 h LEU 121 N 0.14 0.48 -1.60 0.59 3.38 -1.17 -2.37 115.31 114.76 2pa0 h LEU 121 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2pa0 h LEU 121 Cb 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pa0 h LEU 121 CO -0.01 0.35 -0.03 -0.08 0.09 0.00 0.00 178.44 178.76 2pa0 h GLU 122 N 0.58 0.00 0.00 1.13 4.57 -1.17 -2.59 114.58 117.10 2pa0 h GLU 122 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2pa0 h GLU 122 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2pa0 h GLU 122 CO -0.05 0.03 -0.13 0.41 -1.18 0.00 0.00 179.01 178.08 2pa0 n GLY 123 N -0.09 -1.54 3.76 1.92 0.00 -0.78 -4.86 105.19 103.59 2pa0 n GLY 123 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2pa0 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pa0 s LEU 124 N -3.74 4.36 0.00 0.99 1.43 -0.98 -4.92 118.68 115.83 2pa0 s LEU 124 Ca 0.11 2.85 0.10 0.00 -1.03 0.00 0.00 54.13 56.16 2pa0 s LEU 124 Cb 0.16 -3.64 0.16 0.00 0.03 0.00 0.00 46.19 42.89 2pa0 s LEU 124 CO 0.60 -0.78 0.99 0.29 0.23 0.00 0.00 176.35 177.67 2pa0 n LYS 125 N 1.60 1.41 -3.59 1.70 5.02 -1.26 -5.04 118.16 118.00 2pa0 n LYS 125 Ca 0.05 -1.47 -0.06 0.00 -2.02 0.00 0.00 58.31 54.81 2pa0 n LYS 125 Cb 0.39 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 2pa0 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pa0 s ALA 126 N -0.90 -1.84 0.54 7.82 0.00 -1.26 -5.15 121.76 120.97 2pa0 s ALA 126 Ca 0.15 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 2pa0 s ALA 126 Cb 0.09 0.41 -0.07 0.00 0.00 0.00 0.00 23.12 23.55 2pa0 s ALA 126 CO 0.13 -0.80 0.90 -2.30 0.00 0.00 0.00 175.76 173.69 2pa0 n PRO 127 N -0.31 0.97 -3.72 0.00 -0.02 -1.26 -4.99 135.00 125.67 2pa0 n PRO 127 Ca -0.07 0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 61.68 2pa0 n PRO 127 Cb 0.61 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 2pa0 n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pa0 s ALA 128 N -1.48 -1.04 -0.18 3.55 0.00 -1.04 -4.01 121.76 117.56 2pa0 s ALA 128 Ca 0.71 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 2pa0 s ALA 128 Cb -0.46 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 2pa0 s ALA 128 CO 0.51 -0.83 -0.02 0.08 0.00 0.00 0.00 175.76 175.50 2pa0 s VAL 129 N -3.87 3.86 -0.26 0.00 1.01 0.05 -1.02 120.40 120.17 2pa0 s VAL 129 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2pa0 s VAL 129 Cb -0.02 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2pa0 s VAL 129 CO -0.03 0.46 -0.05 -0.76 0.00 0.00 0.00 175.10 174.72 2pa0 s LEU 130 N 0.71 3.35 -0.38 3.92 1.43 0.18 -1.43 118.68 126.45 2pa0 s LEU 130 Ca -0.01 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.87 2pa0 s LEU 130 Cb -0.14 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.42 2pa0 s LEU 130 CO 0.02 -0.16 0.73 -0.36 0.23 0.00 0.00 176.35 176.81 2pa0 s PHE 131 N 1.29 3.10 0.00 0.29 0.08 -0.68 0.02 117.98 122.07 2pa0 s PHE 131 Ca -0.02 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.41 2pa0 s PHE 131 Cb -0.17 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.90 2pa0 s PHE 131 CO -0.04 -0.76 0.00 -2.37 -0.10 0.00 0.00 175.22 171.95 2pa0 n THR 132 N 5.81 0.00 -4.55 0.64 5.66 0.95 -1.50 114.28 121.29 2pa0 n THR 132 Ca 0.01 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.76 2pa0 n THR 132 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 2pa0 n THR 132 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2pa0 s HIS 133 N 0.60 2.31 0.22 1.09 3.76 -1.26 -2.43 115.29 119.57 2pa0 s HIS 133 Ca 0.00 -0.73 -0.09 0.00 -0.15 0.00 0.00 55.06 54.10 2pa0 s HIS 133 Cb 0.00 -1.54 0.33 0.00 1.11 0.00 0.00 32.58 32.48 2pa0 s HIS 133 CO 0.00 0.33 1.71 0.78 -0.85 0.00 0.00 174.74 176.72 2pa0 h GLY 134 N 1.94 0.85 1.81 -2.22 0.00 -1.95 -1.05 103.07 102.46 2pa0 h GLY 134 Ca -0.43 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 2pa0 h GLY 134 CO 0.75 -0.10 -0.12 -1.33 0.00 0.00 0.00 176.54 175.74 2pa0 h GLY 135 N 0.31 0.25 0.29 4.60 0.00 -1.96 -0.99 103.07 105.57 2pa0 h GLY 135 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2pa0 h GLY 135 CO -0.39 0.14 -0.04 -2.08 0.00 0.00 0.00 176.54 174.16 2pa0 h VAL 136 N 0.22 1.59 -0.73 4.60 2.07 -1.64 -1.66 116.25 120.69 2pa0 h VAL 136 Ca 0.05 -1.79 0.11 0.00 0.82 0.00 0.00 66.70 65.88 2pa0 h VAL 136 Cb 0.36 2.78 -0.08 0.00 -1.52 0.00 0.00 31.29 32.83 2pa0 h VAL 136 CO 0.02 0.47 0.35 0.58 0.02 0.00 0.00 177.57 179.01 2pa0 h VAL 137 N -0.70 0.80 -0.31 2.57 2.07 -1.12 -1.06 116.25 118.49 2pa0 h VAL 137 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2pa0 h VAL 137 Cb 0.79 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2pa0 h VAL 137 CO 0.01 0.10 0.21 -0.09 0.02 0.00 0.00 177.57 177.82 2pa0 h ARG 138 N 0.57 0.42 -0.54 1.57 2.43 -1.19 -1.05 114.38 116.58 2pa0 h ARG 138 Ca 0.37 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.58 2pa0 h ARG 138 Cb 0.44 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 2pa0 h ARG 138 CO -0.30 0.28 0.24 0.00 -1.51 0.00 0.00 179.97 178.67 2pa0 h ALA 139 N 1.11 0.70 -0.31 2.80 0.00 -0.24 -0.00 119.26 123.31 2pa0 h ALA 139 Ca 0.12 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2pa0 h ALA 139 Cb -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2pa0 h ALA 139 CO -0.02 -0.14 0.00 0.28 0.00 0.00 0.00 179.25 179.37 2pa0 h VAL 140 N 0.45 1.26 -0.42 0.00 2.07 -0.94 -1.36 116.25 117.31 2pa0 h VAL 140 Ca 0.26 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2pa0 h VAL 140 Cb 0.24 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2pa0 h VAL 140 CO -0.22 0.31 0.26 -0.07 0.02 0.00 0.00 177.57 177.86 2pa0 h LEU 141 N 0.35 0.50 -0.89 2.57 3.38 -0.76 -2.43 115.31 118.03 2pa0 h LEU 141 Ca 0.09 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2pa0 h LEU 141 Cb 0.44 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2pa0 h LEU 141 CO 0.02 0.40 -0.10 0.03 0.09 0.00 0.00 178.44 178.88 2pa0 h ARG 142 N 0.56 0.71 -0.04 1.13 3.08 -0.93 0.10 114.38 119.00 2pa0 h ARG 142 Ca 0.15 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2pa0 h ARG 142 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2pa0 h ARG 142 CO -0.03 0.79 0.03 0.00 -1.07 0.00 0.00 179.97 179.70 2pa0 h ALA 143 N 1.24 1.84 -0.32 0.04 0.00 -0.85 0.24 119.26 121.44 2pa0 h ALA 143 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pa0 h ALA 143 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pa0 h ALA 143 CO 0.03 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2pa0 n LEU 144 N -4.24 2.71 0.00 0.00 4.77 -0.65 -4.94 117.00 114.66 2pa0 n LEU 144 Ca -0.02 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 2pa0 n LEU 144 Cb 0.13 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2pa0 n LEU 144 CO 0.31 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2pa0 n GLY 145 N 1.35 0.44 3.45 -0.72 0.00 0.84 -4.89 105.19 105.66 2pa0 n GLY 145 Ca 0.18 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 2pa0 n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pa0 s GLU 146 N -3.45 1.63 -0.34 1.61 0.41 0.27 -4.97 118.70 113.85 2pa0 s GLU 146 Ca 0.00 -1.69 -0.29 0.00 -0.41 0.00 0.00 54.97 52.59 2pa0 s GLU 146 Cb 0.00 -1.80 -0.01 0.00 -1.78 0.00 0.00 34.13 30.55 2pa0 s GLU 146 CO 0.00 0.35 1.56 0.34 -0.49 0.00 0.00 175.26 177.02 2pa0 s ASP 147 N -3.23 6.25 -1.54 -0.19 2.15 -1.26 -3.06 116.67 115.78 2pa0 s ASP 147 Ca 0.27 1.16 -0.11 0.00 0.43 0.00 0.00 52.55 54.30 2pa0 s ASP 147 Cb -0.06 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 39.97 2pa0 s ASP 147 CO 0.13 -1.44 2.73 0.61 -0.17 0.00 0.00 175.17 177.03 2pa0 n GLY 148 N 5.02 4.22 3.10 2.66 0.00 -1.26 -4.88 105.19 114.04 2pa0 n GLY 148 Ca 0.19 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2pa0 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pa0 s LEU 149 N 0.69 2.49 -0.00 0.99 1.43 -1.26 -4.33 118.68 118.68 2pa0 s LEU 149 Ca 0.63 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2pa0 s LEU 149 Cb 0.17 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2pa0 s LEU 149 CO -0.06 -0.06 -0.01 0.68 0.23 0.00 0.00 176.35 177.13 2pa0 s VAL 150 N 1.25 0.07 0.81 -1.59 -7.23 -1.26 -5.13 120.40 107.31 2pa0 s VAL 150 Ca 0.01 -0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 2pa0 s VAL 150 Cb -0.15 -0.08 0.08 0.00 0.56 0.00 0.00 36.38 36.78 2pa0 s VAL 150 CO -0.11 0.03 1.09 -2.84 -0.31 0.00 0.00 175.10 172.97 2pa0 s PRO 151 N 0.07 1.98 0.53 4.82 0.02 -1.26 -4.95 135.00 136.21 2pa0 s PRO 151 Ca -0.00 1.06 -0.22 0.00 0.02 0.00 0.00 61.00 61.86 2pa0 s PRO 151 Cb -0.01 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 2pa0 s PRO 151 CO -0.00 -1.81 1.30 -2.14 -0.33 0.00 0.00 177.00 174.03 2pa0 s PRO 152 N -4.92 3.25 -1.02 5.54 0.02 -1.26 -2.24 135.00 134.37 2pa0 s PRO 152 Ca 0.62 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.74 2pa0 s PRO 152 Cb -0.17 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.09 2pa0 s PRO 152 CO 0.56 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 2pa0 n GLY 153 N 0.66 1.12 3.68 0.52 0.00 -0.14 -4.77 105.19 106.24 2pa0 n GLY 153 Ca 0.10 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 2pa0 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pa0 s SER 154 N -2.90 4.08 0.10 1.61 1.04 -0.95 -4.69 113.70 112.00 2pa0 s SER 154 Ca 0.00 -1.31 -0.08 0.00 0.48 0.00 0.00 55.95 55.04 2pa0 s SER 154 Cb 0.00 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 2pa0 s SER 154 CO 0.00 -0.54 0.19 0.00 0.98 0.00 0.00 173.24 173.87 2pa0 s ALA 155 N -2.70 -0.11 -0.01 5.32 0.00 -0.62 -1.26 121.76 122.38 2pa0 s ALA 155 Ca 0.34 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2pa0 s ALA 155 Cb 0.07 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.75 2pa0 s ALA 155 CO 0.18 -0.53 -0.04 0.14 0.00 0.00 0.00 175.76 175.52 2pa0 s VAL 156 N -3.89 0.34 -0.11 0.00 -7.23 -0.30 -0.02 120.40 109.19 2pa0 s VAL 156 Ca 0.08 -0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 60.08 2pa0 s VAL 156 Cb 0.05 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 2pa0 s VAL 156 CO -0.09 0.12 0.03 0.00 -0.31 0.00 0.00 175.10 174.86 2pa0 s ALA 157 N 0.23 3.40 0.08 1.32 0.00 -0.44 0.08 121.76 126.44 2pa0 s ALA 157 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2pa0 s ALA 157 Cb -0.06 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2pa0 s ALA 157 CO -0.00 0.53 -0.11 0.14 0.00 0.00 0.00 175.76 176.32 2pa0 s VAL 158 N -0.72 0.93 -1.04 0.00 -7.23 0.45 -0.11 120.40 112.67 2pa0 s VAL 158 Ca 0.12 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 2pa0 s VAL 158 Cb -0.12 -1.16 0.19 0.00 0.56 0.00 0.00 36.38 35.85 2pa0 s VAL 158 CO 0.02 -0.44 1.17 -0.62 -0.31 0.00 0.00 175.10 174.93 2pa0 s ASP 159 N -2.11 6.93 0.21 4.85 -1.08 0.13 -0.98 116.67 124.62 2pa0 s ASP 159 Ca 0.01 -2.77 -0.30 0.00 -0.52 0.00 0.00 52.55 48.97 2pa0 s ASP 159 Cb -0.06 -2.33 -0.09 0.00 -1.46 0.00 0.00 42.92 38.97 2pa0 s ASP 159 CO 0.01 -0.73 1.39 0.86 0.52 0.00 0.00 175.17 177.22 2pa0 s TRP 160 N 1.15 3.15 -0.60 -5.34 -0.11 0.06 0.20 118.94 117.45 2pa0 s TRP 160 Ca 0.33 1.07 0.01 0.00 1.22 0.00 0.00 56.10 58.73 2pa0 s TRP 160 Cb -0.06 -3.72 0.41 0.00 -1.50 0.00 0.00 33.47 28.60 2pa0 s TRP 160 CO -0.06 -2.37 1.65 -0.35 -4.62 0.00 0.00 176.95 171.20 2pa0 n PRO 161 N 2.76 3.06 -0.11 5.86 -0.04 -1.26 -0.17 135.00 145.11 2pa0 n PRO 161 Ca 0.08 -3.82 -0.17 0.00 -0.04 0.00 0.00 63.50 59.55 2pa0 n PRO 161 Cb 0.41 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 2pa0 n PRO 161 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pa0 n ARG 162 N -0.66 0.54 -3.84 0.54 1.74 0.55 -4.98 116.66 110.55 2pa0 n ARG 162 Ca 0.51 0.33 -0.07 0.00 -0.77 0.00 0.00 57.85 57.85 2pa0 n ARG 162 Cb 0.59 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 2pa0 n ARG 162 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2pa0 s ARG 163 N -2.59 1.79 0.04 5.56 1.70 -0.91 -5.00 118.95 119.54 2pa0 s ARG 163 Ca -0.30 -1.03 -0.24 0.00 -0.47 0.00 0.00 55.73 53.69 2pa0 s ARG 163 Cb 0.08 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.99 2pa0 s ARG 163 CO 0.44 -0.83 0.73 0.08 -1.08 0.00 0.00 175.30 174.64 2pa0 s VAL 164 N -3.57 4.75 -0.18 4.99 1.01 -1.26 0.22 120.40 126.35 2pa0 s VAL 164 Ca 0.12 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 2pa0 s VAL 164 Cb -0.05 -4.08 -0.21 0.00 0.00 0.00 0.00 36.38 32.04 2pa0 s VAL 164 CO 0.07 0.39 0.17 0.18 0.00 0.00 0.00 175.10 175.91 2pa0 n LEU 165 N 2.70 2.37 -3.58 3.92 4.77 0.84 -4.82 117.00 123.20 2pa0 n LEU 165 Ca -0.04 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 2pa0 n LEU 165 Cb 0.50 -1.02 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 2pa0 n LEU 165 CO 0.46 0.66 0.86 0.54 -1.33 0.00 0.00 177.39 178.58 2pa0 s VAL 166 N -2.49 0.00 -0.07 4.08 0.11 -1.14 -5.00 120.40 115.90 2pa0 s VAL 166 Ca -0.28 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.80 2pa0 s VAL 166 Cb 0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2pa0 s VAL 166 CO 0.66 0.00 -0.14 -0.13 -3.33 0.00 0.00 175.10 172.16 2pa0 s ARG 167 N -1.76 2.69 -0.49 1.54 0.52 -1.26 -1.32 118.95 118.87 2pa0 s ARG 167 Ca 0.03 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.58 2pa0 s ARG 167 Cb -0.01 -2.43 0.13 0.00 0.52 0.00 0.00 34.95 33.17 2pa0 s ARG 167 CO -0.03 0.53 0.25 -1.17 0.02 0.00 0.00 175.30 174.90 2pa0 s LEU 168 N -0.49 3.72 -0.46 2.53 2.96 0.97 -5.01 118.68 122.90 2pa0 s LEU 168 Ca 0.06 -2.87 -0.11 0.00 -0.22 0.00 0.00 54.13 50.99 2pa0 s LEU 168 Cb -0.12 -1.42 0.10 0.00 0.50 0.00 0.00 46.19 45.25 2pa0 s LEU 168 CO 0.02 -0.24 0.34 0.00 -1.32 0.00 0.00 176.35 175.14 2pa0 s ALA 169 N -0.05 3.42 -2.28 5.97 0.00 -1.26 -1.58 121.76 125.97 2pa0 s ALA 169 Ca 0.17 -2.31 0.30 0.00 0.00 0.00 0.00 51.96 50.12 2pa0 s ALA 169 Cb -0.25 -2.86 1.42 0.00 0.00 0.00 0.00 23.12 21.43 2pa0 s ALA 169 CO 0.00 -1.79 1.96 1.28 0.00 0.00 0.00 175.76 177.21