#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 4.20 -0.01 2.12 2.12 -1.26 -1.22 118.70 124.65 2pa0 s GLU 2 Ca 0.00 2.37 -0.00 0.00 0.36 0.00 0.00 54.97 57.69 2pa0 s GLU 2 Cb 0.00 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 31.02 2pa0 s GLU 2 CO 0.00 -0.68 0.02 -0.51 -0.54 0.00 0.00 175.26 173.55 2pa0 s LEU 3 N 1.91 1.76 -0.21 2.70 1.43 0.04 -3.56 118.68 122.75 2pa0 s LEU 3 Ca 0.72 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.83 2pa0 s LEU 3 Cb -0.42 0.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 2pa0 s LEU 3 CO 0.32 -0.03 -0.05 0.26 0.23 0.00 0.00 176.35 177.08 2pa0 s TRP 4 N 0.22 2.95 -0.16 0.29 0.52 -0.19 -0.69 118.94 121.88 2pa0 s TRP 4 Ca -0.02 -0.88 -0.04 0.00 0.02 0.00 0.00 56.10 55.18 2pa0 s TRP 4 Cb -0.03 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 2pa0 s TRP 4 CO -0.01 -0.49 -0.02 -0.51 0.02 0.00 0.00 176.95 175.94 2pa0 s LEU 5 N 1.33 3.35 -0.12 2.99 1.02 0.97 0.16 118.68 128.39 2pa0 s LEU 5 Ca 0.04 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.13 2pa0 s LEU 5 Cb -0.14 -1.81 -0.00 0.00 0.02 0.00 0.00 46.19 44.25 2pa0 s LEU 5 CO -0.02 0.18 -0.19 -0.69 0.02 0.00 0.00 176.35 175.64 2pa0 s VAL 6 N 0.32 2.40 -0.11 -1.59 1.01 0.21 -1.09 120.40 121.56 2pa0 s VAL 6 Ca -0.03 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 2pa0 s VAL 6 Cb -0.14 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2pa0 s VAL 6 CO 0.02 0.54 0.61 -0.60 0.00 0.00 0.00 175.10 175.68 2pa0 s ARG 7 N 0.51 4.36 0.85 2.72 3.52 -0.67 -0.21 118.95 130.03 2pa0 s ARG 7 Ca -0.13 0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 56.05 2pa0 s ARG 7 Cb -0.17 -3.47 0.11 0.00 -1.56 0.00 0.00 34.95 29.86 2pa0 s ARG 7 CO 0.05 0.03 1.16 -3.38 -0.81 0.00 0.00 175.30 172.35 2pa0 s HIS 8 N 0.97 1.84 1.02 5.12 -3.43 -0.98 -0.84 115.29 118.98 2pa0 s HIS 8 Ca 0.32 1.72 -0.11 0.00 -0.80 0.00 0.00 55.06 56.18 2pa0 s HIS 8 Cb -0.16 -3.35 0.20 0.00 -1.43 0.00 0.00 32.58 27.84 2pa0 s HIS 8 CO 0.14 -2.65 1.09 0.20 -2.00 0.00 0.00 174.74 171.52 2pa0 s GLY 9 N -2.57 1.62 0.68 -1.38 0.00 -1.26 -2.22 107.32 102.19 2pa0 s GLY 9 Ca 0.68 0.24 -0.15 0.00 0.00 0.00 0.00 44.72 45.50 2pa0 s GLY 9 CO 0.54 0.80 1.13 -1.83 0.00 0.00 0.00 173.10 173.74 2pa0 s GLU 10 N -4.58 2.60 0.42 2.90 -1.05 -1.26 -4.79 118.70 112.93 2pa0 s GLU 10 Ca 0.67 1.46 0.04 0.00 -0.15 0.00 0.00 54.97 56.99 2pa0 s GLU 10 Cb -0.23 -1.92 -0.05 0.00 -0.44 0.00 0.00 34.13 31.49 2pa0 s GLU 10 CO 0.61 -1.42 0.04 0.95 0.95 0.00 0.00 175.26 176.39 2pa0 s THR 11 N -2.30 1.27 0.22 1.83 -4.23 -1.26 -1.49 115.64 109.68 2pa0 s THR 11 Ca 0.68 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 2pa0 s THR 11 Cb -0.22 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.23 2pa0 s THR 11 CO 0.43 0.00 1.89 -0.07 -0.54 0.00 0.00 174.62 176.33 2pa0 h LEU 12 N 1.74 0.93 -2.71 4.79 3.38 -1.92 -2.49 115.31 119.02 2pa0 h LEU 12 Ca -0.41 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2pa0 h LEU 12 Cb 1.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2pa0 h LEU 12 CO 0.71 0.67 0.03 -0.50 0.09 0.00 0.00 178.44 179.44 2pa0 h TRP 13 N 1.10 0.00 -0.04 1.13 4.06 -1.95 -1.22 115.95 119.03 2pa0 h TRP 13 Ca 0.30 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.23 2pa0 h TRP 13 Cb -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.05 2pa0 h TRP 13 CO -0.02 0.00 -0.05 -0.97 -3.56 0.00 0.00 178.44 173.84 2pa0 h ASN 14 N 0.00 0.12 0.76 -3.49 -1.24 -1.70 0.14 115.58 110.17 2pa0 h ASN 14 Ca 0.00 -0.51 -0.10 0.00 0.71 0.00 0.00 56.30 56.40 2pa0 h ASN 14 Cb 0.06 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2pa0 h ASN 14 CO 0.00 0.61 -0.45 0.08 -1.29 0.00 0.00 177.43 176.38 2pa0 h ARG 15 N -0.36 0.00 0.00 6.67 0.11 -1.51 -2.72 114.38 116.57 2pa0 h ARG 15 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2pa0 h ARG 15 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2pa0 h ARG 15 CO 0.01 0.45 -0.03 0.93 0.10 0.00 0.00 179.97 181.44 2pa0 h GLU 16 N 0.00 0.00 -3.21 0.08 5.08 -1.19 -3.48 114.58 111.87 2pa0 h GLU 16 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2pa0 h GLU 16 Cb 0.96 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.27 2pa0 h GLU 16 CO 0.06 0.00 -0.29 0.41 -1.00 0.00 0.00 179.01 178.19 2pa0 n GLY 17 N 1.24 0.23 3.48 -3.84 0.00 0.27 -4.87 105.19 101.70 2pa0 n GLY 17 Ca 0.05 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.03 2.34 0.10 1.61 0.52 -0.00 -0.59 118.95 117.90 2pa0 s ARG 18 Ca 0.12 -0.81 -0.31 0.00 -0.52 0.00 0.00 55.73 54.21 2pa0 s ARG 18 Cb -0.05 -2.31 -0.09 0.00 0.52 0.00 0.00 34.95 33.02 2pa0 s ARG 18 CO 0.29 0.59 1.60 -0.51 0.02 0.00 0.00 175.30 177.30 2pa0 s LEU 19 N -1.04 4.37 -0.27 2.53 1.43 0.11 -4.63 118.68 121.17 2pa0 s LEU 19 Ca 0.13 2.52 0.03 0.00 -1.03 0.00 0.00 54.13 55.77 2pa0 s LEU 19 Cb -0.11 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.61 2pa0 s LEU 19 CO 0.03 -0.85 -0.06 -0.22 0.23 0.00 0.00 176.35 175.48 2pa0 s LEU 20 N 2.01 3.49 0.00 1.79 2.96 -1.26 -0.21 118.68 127.47 2pa0 s LEU 20 Ca 0.72 -1.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 2pa0 s LEU 20 Cb -0.41 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 44.81 2pa0 s LEU 20 CO 0.32 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 2pa0 n GLY 21 N 4.46 0.61 0.42 7.98 0.00 -1.26 -4.88 105.19 112.52 2pa0 n GLY 21 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.05 -2.00 1.61 7.02 -1.26 -4.64 117.44 118.22 2pa0 n TRP 22 Ca 0.00 -0.02 -0.42 0.00 -1.02 0.00 0.00 57.50 56.03 2pa0 n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 -1.95 3.42 -1.28 -0.99 2.01 -1.26 -4.89 115.64 110.69 2pa0 s THR 23 Ca 0.38 0.67 -0.13 0.00 0.31 0.00 0.00 61.69 62.92 2pa0 s THR 23 Cb 0.20 -3.43 0.13 0.00 0.01 0.00 0.00 72.50 69.41 2pa0 s THR 23 CO 0.32 -0.03 1.73 -0.67 -0.69 0.00 0.00 174.62 175.28 2pa0 n ASP 24 N 6.42 4.95 -4.89 3.53 2.03 -1.26 -4.99 116.55 122.35 2pa0 n ASP 24 Ca 0.16 -2.99 -0.32 0.00 0.52 0.00 0.00 54.79 52.16 2pa0 n ASP 24 Cb 0.42 -1.59 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 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 1.58 4.25 0.62 -2.67 1.43 -1.26 -4.93 118.68 117.70 2pa0 s LEU 25 Ca 0.44 0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 54.20 2pa0 s LEU 25 Cb 0.05 -3.38 0.02 0.00 0.03 0.00 0.00 46.19 42.90 2pa0 s LEU 25 CO 0.00 0.03 0.94 -2.16 0.23 0.00 0.00 176.35 175.39 2pa0 s PRO 26 N -2.60 2.80 0.69 1.29 0.04 -1.26 -3.96 135.00 132.00 2pa0 s PRO 26 Ca 0.42 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.37 2pa0 s PRO 26 Cb -0.12 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.22 2pa0 s PRO 26 CO 0.23 -0.82 1.04 -1.64 0.04 0.00 0.00 177.00 175.85 2pa0 s MET 27 N -5.07 2.69 0.78 4.56 -1.94 -1.26 -4.52 119.30 114.54 2pa0 s MET 27 Ca 0.55 0.21 -0.06 0.00 -1.71 0.00 0.00 55.69 54.69 2pa0 s MET 27 Cb -0.11 -2.10 0.14 0.00 2.01 0.00 0.00 34.83 34.77 2pa0 s MET 27 CO 0.46 -1.03 1.08 0.95 -0.01 0.00 0.00 175.02 176.46 2pa0 s THR 28 N -3.27 2.14 0.21 2.05 -4.23 -0.55 -4.88 115.64 107.10 2pa0 s THR 28 Ca 0.58 -0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 60.60 2pa0 s THR 28 Cb -0.11 -2.74 0.17 0.00 1.34 0.00 0.00 72.50 71.16 2pa0 s THR 28 CO 0.49 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.43 2pa0 h ALA 29 N -0.82 1.02 -0.33 3.99 0.00 -1.98 -1.27 119.26 119.87 2pa0 h ALA 29 Ca -0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2pa0 h ALA 29 Cb 1.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2pa0 h ALA 29 CO 0.43 0.48 0.07 1.49 0.00 0.00 0.00 179.25 181.71 2pa0 h GLU 30 N 1.09 0.49 -0.58 0.00 4.57 -1.93 -1.26 114.58 116.96 2pa0 h GLU 30 Ca 0.29 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 2pa0 h GLU 30 Cb -0.05 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2pa0 h GLU 30 CO -0.05 0.46 0.18 0.78 -1.18 0.00 0.00 179.01 179.20 2pa0 h GLY 31 N 0.73 0.97 1.34 1.92 0.00 -1.39 -0.13 103.07 106.50 2pa0 h GLY 31 Ca 0.11 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 2pa0 h GLY 31 CO -0.00 0.53 0.07 0.83 0.00 0.00 0.00 176.54 177.97 2pa0 h GLU 32 N 0.82 0.81 -0.49 4.80 5.08 -0.62 -1.65 114.58 123.34 2pa0 h GLU 32 Ca 0.19 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2pa0 h GLU 32 Cb 0.28 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2pa0 h GLU 32 CO -0.01 0.77 -0.15 0.00 -1.00 0.00 0.00 179.01 178.63 2pa0 h ALA 33 N 1.30 0.81 -0.76 3.43 0.00 -0.78 -1.54 119.26 121.71 2pa0 h ALA 33 Ca 0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2pa0 h ALA 33 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2pa0 h ALA 33 CO 0.01 0.66 0.34 1.96 0.00 0.00 0.00 179.25 182.21 2pa0 h GLN 34 N 0.83 1.11 -0.56 0.00 4.20 -0.59 -1.91 115.11 118.20 2pa0 h GLN 34 Ca 0.12 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2pa0 h GLN 34 Cb 0.70 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2pa0 h GLN 34 CO 0.05 0.89 0.11 0.00 -0.67 0.00 0.00 178.83 179.21 2pa0 h ALA 35 N 1.17 0.74 -0.70 3.87 0.00 -1.03 -2.89 119.26 120.42 2pa0 h ALA 35 Ca 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2pa0 h ALA 35 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2pa0 h ALA 35 CO -0.03 0.46 0.27 0.00 0.00 0.00 0.00 179.25 179.95 2pa0 h ARG 36 N 0.80 1.03 -0.04 0.00 3.08 -0.96 -2.19 114.38 116.11 2pa0 h ARG 36 Ca 0.17 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2pa0 h ARG 36 Cb 0.38 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2pa0 h ARG 36 CO 0.01 0.85 0.06 0.00 -1.07 0.00 0.00 179.97 179.81 2pa0 h ARG 37 N 1.01 0.00 0.00 0.04 3.08 -1.14 -0.68 114.38 116.69 2pa0 h ARG 37 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2pa0 h ARG 37 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2pa0 h ARG 37 CO -0.02 0.00 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.77 2pa0 h LEU 38 N 0.00 0.00 -9.65 3.04 3.38 -1.36 -3.43 115.31 107.29 2pa0 h LEU 38 Ca 0.02 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.47 2pa0 h LEU 38 Cb 0.13 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.94 2pa0 h LEU 38 CO -0.00 0.04 0.97 -0.75 0.09 0.00 0.00 178.44 178.79 2pa0 s LYS 39 N -3.53 4.15 0.00 1.13 2.20 -0.26 -1.41 119.74 122.01 2pa0 s LYS 39 Ca 0.03 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2pa0 s LYS 39 Cb 0.08 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2pa0 s LYS 39 CO 0.59 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2pa0 n GLY 40 N 3.81 1.76 0.04 5.54 0.00 -1.26 -4.83 105.19 110.25 2pa0 n GLY 40 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.43 2.19 -2.46 4.61 0.00 -0.50 -4.98 120.51 118.95 2pa0 n ALA 41 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 53.44 52.42 2pa0 n ALA 41 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -4.67 4.10 0.67 0.00 1.43 -1.18 -5.07 118.68 113.96 2pa0 s LEU 42 Ca -0.07 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 2pa0 s LEU 42 Cb 0.09 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2pa0 s LEU 42 CO 0.71 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 176.06 2pa0 s PRO 43 N -3.24 2.91 -1.17 1.29 0.04 -1.26 -4.94 135.00 128.63 2pa0 s PRO 43 Ca 0.46 1.17 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 2pa0 s PRO 43 Cb -0.11 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.55 2pa0 s PRO 43 CO 0.26 -1.14 1.53 -1.12 0.04 0.00 0.00 177.00 176.58 2pa0 s SER 44 N -3.12 6.78 0.24 6.66 0.01 -1.26 -4.94 113.70 118.07 2pa0 s SER 44 Ca 0.62 -2.27 0.07 0.00 1.31 0.00 0.00 55.95 55.68 2pa0 s SER 44 Cb -0.17 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 2pa0 s SER 44 CO 0.46 -1.15 -0.09 -0.76 0.41 0.00 0.00 173.24 172.11 2pa0 s LEU 45 N 3.69 2.49 0.50 2.44 1.43 -1.26 -5.10 118.68 122.87 2pa0 s LEU 45 Ca 0.47 -1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.24 2pa0 s LEU 45 Cb 0.01 -0.62 -0.08 0.00 0.03 0.00 0.00 46.19 45.52 2pa0 s LEU 45 CO -0.00 -0.28 1.01 -2.65 0.23 0.00 0.00 176.35 174.66 2pa0 n PRO 46 N -0.48 1.22 -5.09 1.29 -0.02 -1.26 -4.59 135.00 126.07 2pa0 n PRO 46 Ca -0.07 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2pa0 n PRO 46 Cb 0.62 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.38 2.28 0.05 3.55 0.00 -1.26 -1.91 121.76 123.09 2pa0 s ALA 47 Ca 0.68 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2pa0 s ALA 47 Cb -0.49 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2pa0 s ALA 47 CO 0.53 0.54 -0.13 -0.06 0.00 0.00 0.00 175.76 176.64 2pa0 s PHE 48 N -0.71 1.16 0.04 0.00 0.08 -0.73 -1.62 117.98 116.21 2pa0 s PHE 48 Ca 0.11 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.64 2pa0 s PHE 48 Cb -0.10 -0.68 0.02 0.00 -0.57 0.00 0.00 43.02 41.69 2pa0 s PHE 48 CO 0.01 0.03 0.27 0.45 -0.10 0.00 0.00 175.22 175.88 2pa0 s SER 49 N -1.36 -0.08 0.70 1.36 0.15 -0.58 -0.74 113.70 113.16 2pa0 s SER 49 Ca -0.01 -0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.23 2pa0 s SER 49 Cb -0.09 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2pa0 s SER 49 CO 0.02 -0.61 1.23 -0.55 1.20 0.00 0.00 173.24 174.53 2pa0 s SER 50 N -2.10 4.38 0.00 5.45 0.15 -0.62 -0.66 113.70 120.29 2pa0 s SER 50 Ca -0.05 2.42 0.28 0.00 0.70 0.00 0.00 55.95 59.31 2pa0 s SER 50 Cb -0.01 -2.60 1.05 0.00 -1.71 0.00 0.00 66.02 62.76 2pa0 s SER 50 CO -0.04 -2.14 1.79 -0.90 1.20 0.00 0.00 173.24 173.14 2pa0 n ASP 51 N -2.42 0.20 -4.77 5.45 5.75 -1.26 -3.94 116.55 115.56 2pa0 n ASP 51 Ca 0.14 0.10 -0.40 0.00 -0.01 0.00 0.00 54.79 54.63 2pa0 n ASP 51 Cb 0.50 -0.22 -0.01 0.00 -1.03 0.00 0.00 41.12 40.35 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 -2.90 4.29 0.20 -2.12 1.43 -1.26 -4.83 118.68 113.48 2pa0 s LEU 52 Ca 0.16 2.62 -0.20 0.00 -1.03 0.00 0.00 54.13 55.68 2pa0 s LEU 52 Cb 0.19 -3.83 0.15 0.00 0.03 0.00 0.00 46.19 42.72 2pa0 s LEU 52 CO 0.56 -0.71 1.58 0.25 0.23 0.00 0.00 176.35 178.26 2pa0 h LEU 53 N 2.92 -1.26 -2.03 1.79 5.85 -1.89 -1.45 115.31 119.23 2pa0 h LEU 53 Ca -0.49 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2pa0 h LEU 53 Cb 1.24 0.63 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 2pa0 h LEU 53 CO 0.64 -0.30 0.05 0.08 -0.34 0.00 0.00 178.44 178.57 2pa0 h ARG 54 N -0.12 0.00 0.04 1.25 0.11 -1.92 -0.71 114.38 113.02 2pa0 h ARG 54 Ca 0.26 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.34 2pa0 h ARG 54 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2pa0 h ARG 54 CO -0.76 0.00 -0.02 0.00 0.10 0.00 0.00 179.97 179.29 2pa0 h ALA 55 N 1.96 -0.05 0.00 0.08 0.00 -1.58 -2.83 119.26 116.85 2pa0 h ALA 55 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2pa0 h ALA 55 Cb 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pa0 h ALA 55 CO -0.00 -0.09 -0.29 0.07 0.00 0.00 0.00 179.25 178.93 2pa0 h ARG 56 N -0.92 0.00 -0.14 0.00 0.11 -1.33 -0.42 114.38 111.68 2pa0 h ARG 56 Ca -0.01 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 2pa0 h ARG 56 Cb 0.66 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 2pa0 h ARG 56 CO 0.01 0.29 -0.45 -0.09 0.10 0.00 0.00 179.97 179.83 2pa0 h ARG 57 N 0.00 0.36 -0.58 0.08 2.43 -1.26 0.72 114.38 116.12 2pa0 h ARG 57 Ca -0.00 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 2pa0 h ARG 57 Cb 0.80 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2pa0 h ARG 57 CO 0.04 0.74 0.08 1.15 -1.51 0.00 0.00 179.97 180.47 2pa0 h THR 58 N 0.29 1.25 -0.13 0.20 2.02 -1.07 -0.49 112.91 114.97 2pa0 h THR 58 Ca 0.02 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 2pa0 h THR 58 Cb 0.91 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2pa0 h THR 58 CO 0.08 0.36 0.07 0.00 0.37 0.00 0.00 175.52 176.39 2pa0 h ALA 59 N 1.19 0.16 0.32 6.16 0.00 -0.69 -0.84 119.26 125.56 2pa0 h ALA 59 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pa0 h ALA 59 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2pa0 h ALA 59 CO 0.01 -0.29 -0.24 1.49 0.00 0.00 0.00 179.25 180.22 2pa0 h GLU 60 N 0.10 -0.54 0.00 0.00 4.81 -0.71 -0.73 114.58 117.51 2pa0 h GLU 60 Ca 0.04 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2pa0 h GLU 60 Cb 0.09 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2pa0 h GLU 60 CO -0.01 -0.36 -0.05 -0.07 -0.73 0.00 0.00 179.01 177.79 2pa0 h LEU 61 N -0.56 0.00 0.00 1.64 3.38 -1.03 0.12 115.31 118.86 2pa0 h LEU 61 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pa0 h LEU 61 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2pa0 h LEU 61 CO -0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2pa0 n ALA 62 N -2.34 2.40 -0.48 1.53 0.00 -0.33 -4.26 120.51 117.03 2pa0 n ALA 62 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pa0 n ALA 62 Cb 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.27 1.17 3.59 0.00 0.00 0.42 -4.03 105.19 107.60 2pa0 n GLY 63 Ca 0.12 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 2.48 -0.52 1.61 0.40 -0.33 -5.02 117.98 114.60 2pa0 s PHE 64 Ca 0.00 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 2pa0 s PHE 64 Cb 0.00 -1.38 0.19 0.00 0.51 0.00 0.00 43.02 42.34 2pa0 s PHE 64 CO 0.00 0.55 0.47 0.45 0.70 0.00 0.00 175.22 177.39 2pa0 n SER 65 N -0.86 1.17 -4.82 1.36 2.88 -1.26 -3.82 113.62 108.27 2pa0 n SER 65 Ca -0.05 -2.81 -0.33 0.00 -1.33 0.00 0.00 58.87 54.36 2pa0 n SER 65 Cb 0.62 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 2pa0 n SER 65 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2pa0 s PRO 66 N -0.93 4.18 0.26 -1.46 0.04 -1.26 -4.80 135.00 131.02 2pa0 s PRO 66 Ca 0.32 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 2pa0 s PRO 66 Cb 0.05 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2pa0 s PRO 66 CO -0.15 -0.08 0.96 0.50 0.04 0.00 0.00 177.00 178.27 2pa0 s ARG 67 N -3.26 4.80 0.05 4.56 3.52 -0.64 -4.82 118.95 123.16 2pa0 s ARG 67 Ca 0.62 1.51 -0.15 0.00 -0.13 0.00 0.00 55.73 57.59 2pa0 s ARG 67 Cb -0.10 -3.21 -0.06 0.00 -1.56 0.00 0.00 34.95 30.02 2pa0 s ARG 67 CO 0.15 0.45 0.46 -0.51 -0.81 0.00 0.00 175.30 175.04 2pa0 s LEU 68 N -1.32 4.45 -0.11 -0.88 1.43 -1.26 -1.53 118.68 119.45 2pa0 s LEU 68 Ca 0.43 1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 54.50 2pa0 s LEU 68 Cb -0.26 -2.81 0.06 0.00 0.03 0.00 0.00 46.19 43.21 2pa0 s LEU 68 CO 0.32 0.26 0.16 -0.31 0.23 0.00 0.00 176.35 177.01 2pa0 s TYR 69 N -1.19 -0.16 0.58 0.29 2.02 0.16 -4.92 117.35 114.13 2pa0 s TYR 69 Ca 0.28 0.46 0.27 0.00 -0.37 0.00 0.00 57.07 57.71 2pa0 s TYR 69 Cb -0.17 -0.32 1.69 0.00 -0.40 0.00 0.00 41.96 42.76 2pa0 s TYR 69 CO 0.16 -0.35 2.19 -1.35 -1.57 0.00 0.00 175.55 174.63 2pa0 h PRO 70 N 8.36 0.00 0.00 -1.71 0.11 -1.94 -1.93 132.00 134.89 2pa0 h PRO 70 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 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 0.18 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.90 2pa0 h GLU 71 N 0.00 0.00 -0.40 1.05 3.07 -1.94 -0.41 114.58 115.94 2pa0 h GLU 71 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2pa0 h GLU 71 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2pa0 h GLU 71 CO -0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2pa0 n LEU 72 N -2.93 2.42 -4.78 1.33 4.77 -0.72 -4.45 117.00 112.63 2pa0 n LEU 72 Ca -0.03 -1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 54.48 2pa0 n LEU 72 Cb 0.07 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2pa0 n LEU 72 CO 0.18 0.58 0.70 -0.13 -1.33 0.00 0.00 177.39 177.39 2pa0 s ARG 73 N -1.47 2.33 1.06 3.23 0.52 -0.17 -4.23 118.95 120.23 2pa0 s ARG 73 Ca 0.32 1.11 -0.13 0.00 -0.52 0.00 0.00 55.73 56.52 2pa0 s ARG 73 Cb 0.17 -1.91 0.22 0.00 0.52 0.00 0.00 34.95 33.95 2pa0 s ARG 73 CO 0.23 -1.57 1.07 -2.00 0.02 0.00 0.00 175.30 173.05 2pa0 s GLU 74 N -4.93 -0.04 0.47 3.54 2.56 -1.26 -4.85 118.70 114.19 2pa0 s GLU 74 Ca 0.61 0.60 -0.23 0.00 0.00 0.00 0.00 54.97 55.95 2pa0 s GLU 74 Cb -0.17 -1.68 -0.07 0.00 2.00 0.00 0.00 34.13 34.22 2pa0 s GLU 74 CO 0.56 -3.07 1.18 -1.50 -0.56 0.00 0.00 175.26 171.87 2pa0 s ILE 75 N -2.81 3.00 -0.51 -3.70 2.07 -1.26 -4.75 121.20 113.24 2pa0 s ILE 75 Ca 0.66 0.74 -0.26 0.00 -1.41 0.00 0.00 60.65 60.38 2pa0 s ILE 75 Cb -0.21 -3.37 0.03 0.00 0.13 0.00 0.00 42.46 39.05 2pa0 s ILE 75 CO 0.60 -0.02 1.02 -2.28 -1.91 0.00 0.00 174.94 172.35 2pa0 s HIS 76 N -1.53 2.80 -2.00 3.50 5.65 -1.26 -4.17 115.29 118.28 2pa0 s HIS 76 Ca 0.65 0.34 0.20 0.00 0.25 0.00 0.00 55.06 56.50 2pa0 s HIS 76 Cb -0.30 -4.19 1.18 0.00 -1.18 0.00 0.00 32.58 28.09 2pa0 s HIS 76 CO 0.36 -1.30 1.59 1.19 -0.65 0.00 0.00 174.74 175.93 2pa0 n PHE 77 N 7.62 0.00 -0.61 3.88 3.72 -1.26 -0.97 117.46 129.84 2pa0 n PHE 77 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2pa0 n PHE 77 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.36 3.24 0.09 1.37 0.00 -1.26 -0.47 105.19 108.52 2pa0 n GLY 78 Ca 0.15 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2pa0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa0 n ALA 79 N 10.34 1.34 1.70 4.61 0.00 -0.22 -1.74 120.51 136.55 2pa0 n ALA 79 Ca 0.00 0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.67 2pa0 n ALA 79 Cb 0.00 -1.27 0.72 0.00 0.00 0.00 0.00 19.45 18.90 2pa0 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pa0 n LEU 80 N -1.98 0.70 -4.72 0.00 4.77 0.39 -4.80 117.00 111.36 2pa0 n LEU 80 Ca 0.01 -0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 2pa0 n LEU 80 Cb 0.12 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2pa0 n LEU 80 CO 0.12 0.12 1.21 -0.62 -1.33 0.00 0.00 177.39 176.88 2pa0 n GLU 81 N -0.50 2.51 -0.13 3.23 -0.58 -0.71 -1.32 120.64 123.15 2pa0 n GLU 81 Ca 0.20 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.84 2pa0 n GLU 81 Cb 0.24 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.45 2pa0 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pa0 n GLY 82 N 2.55 2.28 3.76 0.62 0.00 0.71 -4.95 105.19 110.16 2pa0 n GLY 82 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.80 3.55 0.16 4.61 0.00 -0.43 -4.50 121.76 122.35 2pa0 s ALA 83 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 2pa0 s ALA 83 Cb 0.00 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 2pa0 s ALA 83 CO 0.00 -0.73 1.28 -0.51 0.00 0.00 0.00 175.76 175.79 2pa0 s LEU 84 N -1.32 4.41 0.14 0.00 1.43 -1.26 -0.71 118.68 121.37 2pa0 s LEU 84 Ca 0.53 2.29 -0.18 0.00 -1.03 0.00 0.00 54.13 55.75 2pa0 s LEU 84 Cb -0.41 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.23 2pa0 s LEU 84 CO 0.51 -0.50 1.73 -0.25 0.23 0.00 0.00 176.35 178.07 2pa0 h TRP 85 N 5.75 0.05 -0.97 0.29 2.91 -1.18 -2.61 115.95 120.20 2pa0 h TRP 85 Ca -0.44 0.02 0.28 0.00 1.13 0.00 0.00 58.89 59.88 2pa0 h TRP 85 Cb 1.21 0.02 -0.14 0.00 -0.51 0.00 0.00 29.16 29.74 2pa0 h TRP 85 CO 0.63 -0.00 0.48 1.49 -1.03 0.00 0.00 178.44 180.01 2pa0 h GLU 86 N 0.13 0.34 -0.01 2.65 4.81 -1.92 -1.63 114.58 118.95 2pa0 h GLU 86 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2pa0 h GLU 86 Cb 0.16 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2pa0 h GLU 86 CO -0.20 0.22 -0.13 0.25 -0.73 0.00 0.00 179.01 178.43 2pa0 n THR 87 N -5.06 0.00 -1.80 0.32 -2.24 -0.99 -4.95 114.28 99.55 2pa0 n THR 87 Ca 0.28 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 2pa0 n THR 87 Cb 0.85 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.25 4.33 0.61 3.22 1.43 -0.62 -4.94 118.68 120.46 2pa0 s LEU 88 Ca 0.31 3.01 -0.19 0.00 -1.03 0.00 0.00 54.13 56.23 2pa0 s LEU 88 Cb 0.20 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2pa0 s LEU 88 CO 0.43 -0.88 1.20 0.47 0.23 0.00 0.00 176.35 177.80 2pa0 n ASP 89 N 1.07 1.81 -0.29 2.29 8.00 -1.26 -4.66 116.55 123.50 2pa0 n ASP 89 Ca 0.03 0.86 0.09 0.00 0.71 0.00 0.00 54.79 56.49 2pa0 n ASP 89 Cb 0.39 -1.51 0.22 0.00 -0.02 0.00 0.00 41.12 40.20 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 0.75 0.11 -0.74 -0.24 0.11 -1.99 -1.24 132.00 128.76 2pa0 h PRO 90 Ca -0.50 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.68 2pa0 h PRO 90 Cb 1.34 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 2pa0 h PRO 90 CO 0.53 0.07 0.41 0.07 -0.21 0.00 0.00 178.00 178.87 2pa0 h ARG 91 N 0.11 0.69 -0.24 1.05 0.11 -1.99 0.15 114.38 114.27 2pa0 h ARG 91 Ca 0.50 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 60.36 2pa0 h ARG 91 Cb 0.95 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.87 2pa0 h ARG 91 CO -0.73 0.46 -0.52 1.88 0.10 0.00 0.00 179.97 181.16 2pa0 h TYR 92 N 0.72 0.98 0.31 4.08 0.05 -1.60 -1.08 116.97 120.43 2pa0 h TYR 92 Ca 0.34 -0.36 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2pa0 h TYR 92 Cb 0.28 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 2pa0 h TYR 92 CO -0.08 1.17 -0.26 0.87 -1.05 0.00 0.00 178.16 178.82 2pa0 h LYS 93 N 0.51 -0.56 -0.86 4.88 1.57 -0.80 -1.32 116.57 120.00 2pa0 h LYS 93 Ca 0.00 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2pa0 h LYS 93 Cb 1.13 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.52 2pa0 h LYS 93 CO 0.11 -0.37 0.56 1.49 -0.57 0.00 0.00 179.45 180.67 2pa0 h GLU 94 N -0.58 1.08 -0.84 3.15 4.81 -0.74 0.24 114.58 121.70 2pa0 h GLU 94 Ca -0.02 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2pa0 h GLU 94 Cb 0.51 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 2pa0 h GLU 94 CO -0.02 0.72 0.53 0.00 -0.73 0.00 0.00 179.01 179.51 2pa0 h ALA 95 N 1.33 1.12 0.04 2.92 0.00 -0.88 0.22 119.26 124.01 2pa0 h ALA 95 Ca 0.33 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2pa0 h ALA 95 Cb -0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2pa0 h ALA 95 CO -0.09 0.34 -1.01 -0.07 0.00 0.00 0.00 179.25 178.42 2pa0 h LEU 96 N 1.02 0.40 -0.29 0.00 3.38 -0.76 0.18 115.31 119.24 2pa0 h LEU 96 Ca 0.34 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2pa0 h LEU 96 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2pa0 h LEU 96 CO -0.13 1.19 -0.11 -0.07 0.09 0.00 0.00 178.44 179.41 2pa0 h LEU 97 N 0.14 0.60 -0.32 1.67 3.38 -0.59 -2.93 115.31 117.25 2pa0 h LEU 97 Ca -0.08 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2pa0 h LEU 97 Cb 1.67 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2pa0 h LEU 97 CO 0.16 0.86 -0.21 0.54 0.09 0.00 0.00 178.44 179.88 2pa0 n ARG 98 N -4.45 0.67 -3.60 1.13 1.74 0.03 -4.96 116.66 107.23 2pa0 n ARG 98 Ca -0.03 -0.32 -0.24 0.00 -0.77 0.00 0.00 57.85 56.48 2pa0 n ARG 98 Cb 0.35 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.34 2pa0 n ARG 98 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pa0 n PHE 99 N -0.88 -2.03 -3.52 -1.55 7.35 0.38 -5.00 117.46 112.22 2pa0 n PHE 99 Ca 0.12 0.68 -0.17 0.00 -0.76 0.00 0.00 57.45 57.32 2pa0 n PHE 99 Cb 0.32 -3.91 -0.06 0.00 0.35 0.00 0.00 39.48 36.18 2pa0 n PHE 99 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2pa0 s GLN 100 N -5.64 1.03 -1.29 -4.13 -2.07 0.15 -5.00 119.66 102.70 2pa0 s GLN 100 Ca 0.30 0.20 -0.13 0.00 -1.82 0.00 0.00 55.36 53.90 2pa0 s GLN 100 Cb -0.08 0.48 0.01 0.00 -1.09 0.00 0.00 33.01 32.32 2pa0 s GLN 100 CO 0.82 -0.33 0.55 0.41 -1.32 0.00 0.00 175.29 175.42 2pa0 n GLY 101 N 0.80 -0.59 3.35 2.60 0.00 -1.26 -4.49 105.19 105.61 2pa0 n GLY 101 Ca -0.18 0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.75 3.20 -0.59 1.61 5.36 -1.26 -4.86 117.98 117.69 2pa0 s PHE 102 Ca 0.25 -1.01 0.04 0.00 -0.96 0.00 0.00 56.93 55.25 2pa0 s PHE 102 Cb -0.11 -2.32 0.16 0.00 -0.34 0.00 0.00 43.02 40.41 2pa0 s PHE 102 CO 0.90 -0.61 0.41 -1.01 -1.46 0.00 0.00 175.22 173.45 2pa0 s HIS 103 N 1.51 2.71 0.05 10.12 3.76 -1.26 -1.86 115.29 130.32 2pa0 s HIS 103 Ca 0.02 -2.96 -0.31 0.00 -0.15 0.00 0.00 55.06 51.67 2pa0 s HIS 103 Cb -0.18 -2.15 -0.05 0.00 1.11 0.00 0.00 32.58 31.31 2pa0 s HIS 103 CO 0.04 -0.66 1.17 -1.25 -0.85 0.00 0.00 174.74 173.19 2pa0 s PRO 104 N -0.78 4.45 0.15 8.40 0.04 -1.26 -4.97 135.00 141.03 2pa0 s PRO 104 Ca 0.26 1.72 -0.34 0.00 0.04 0.00 0.00 61.00 62.68 2pa0 s PRO 104 Cb -0.06 -3.36 -0.14 0.00 0.04 0.00 0.00 34.50 30.98 2pa0 s PRO 104 CO -0.14 -0.23 1.57 -2.30 0.04 0.00 0.00 177.00 175.94 2pa0 n PRO 105 N 3.93 2.11 -0.96 0.56 -0.02 -1.26 -0.86 135.00 138.50 2pa0 n PRO 105 Ca 0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2pa0 n PRO 105 Cb 0.47 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.40 0.45 0.00 -1.23 0.00 -1.26 -1.06 105.19 105.49 2pa0 n GLY 106 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.88 6.14 3.82 -0.02 0.00 -0.04 -4.35 105.19 108.87 2pa0 n GLY 107 Ca 0.00 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 2pa0 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pa0 s GLU 108 N 0.25 4.06 0.56 1.61 2.02 -0.15 -4.80 118.70 122.26 2pa0 s GLU 108 Ca 0.00 0.55 -0.14 0.00 0.02 0.00 0.00 54.97 55.41 2pa0 s GLU 108 Cb 0.00 -3.24 -0.06 0.00 0.10 0.00 0.00 34.13 30.93 2pa0 s GLU 108 CO 0.00 0.64 1.00 -1.54 0.02 0.00 0.00 175.26 175.38 2pa0 s SER 109 N -0.98 6.43 0.35 -0.19 1.04 -1.26 -4.37 113.70 114.71 2pa0 s SER 109 Ca 0.26 1.48 0.02 0.00 0.48 0.00 0.00 55.95 58.20 2pa0 s SER 109 Cb -0.18 -2.48 0.62 0.00 0.10 0.00 0.00 66.02 64.08 2pa0 s SER 109 CO 0.16 -0.72 1.98 0.25 0.98 0.00 0.00 173.24 175.88 2pa0 h LEU 110 N 0.32 0.68 -0.16 2.42 5.85 -1.77 -1.33 115.31 121.32 2pa0 h LEU 110 Ca -0.45 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2pa0 h LEU 110 Cb 1.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2pa0 h LEU 110 CO 0.62 0.54 0.10 0.28 -0.34 0.00 0.00 178.44 179.64 2pa0 h SER 111 N 0.78 0.16 -0.37 1.25 0.02 -1.92 -0.48 113.55 113.00 2pa0 h SER 111 Ca 0.20 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2pa0 h SER 111 Cb 0.00 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2pa0 h SER 111 CO -0.04 0.12 0.03 0.00 -1.14 0.00 0.00 176.83 175.81 2pa0 h ALA 112 N 1.06 1.21 -0.34 3.77 0.00 -1.82 -2.16 119.26 121.00 2pa0 h ALA 112 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2pa0 h ALA 112 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2pa0 h ALA 112 CO -0.02 0.52 0.06 0.35 0.00 0.00 0.00 179.25 180.16 2pa0 h PHE 113 N 0.68 0.58 -0.56 0.00 3.57 -0.87 -2.27 116.94 118.08 2pa0 h PHE 113 Ca 0.14 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2pa0 h PHE 113 Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2pa0 h PHE 113 CO 0.02 0.61 0.04 1.96 -2.23 0.00 0.00 178.31 178.71 2pa0 h GLN 114 N 0.39 0.95 -0.76 1.11 4.20 -0.91 -1.57 115.11 118.51 2pa0 h GLN 114 Ca 0.10 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2pa0 h GLN 114 Cb 0.34 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2pa0 h GLN 114 CO 0.01 0.94 0.32 1.49 -0.67 0.00 0.00 178.83 180.92 2pa0 h GLU 115 N 0.84 1.13 -0.12 1.46 4.81 -1.35 0.28 114.58 121.63 2pa0 h GLU 115 Ca 0.16 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2pa0 h GLU 115 Cb 0.48 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2pa0 h GLU 115 CO 0.02 0.91 0.06 -0.09 -0.73 0.00 0.00 179.01 179.18 2pa0 h ARG 116 N 1.10 0.17 0.33 1.92 2.43 -1.22 -0.10 114.38 119.01 2pa0 h ARG 116 Ca 0.26 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2pa0 h ARG 116 Cb 0.19 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2pa0 h ARG 116 CO -0.02 0.22 -0.16 0.28 -1.51 0.00 0.00 179.97 178.77 2pa0 h VAL 117 N 0.08 0.68 -0.10 0.20 2.07 -0.98 -1.63 116.25 116.58 2pa0 h VAL 117 Ca 0.04 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2pa0 h VAL 117 Cb 0.10 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2pa0 h VAL 117 CO -0.01 0.08 -0.12 -0.26 0.02 0.00 0.00 177.57 177.29 2pa0 h PHE 118 N -0.68 0.15 -0.38 1.57 0.04 -0.50 -1.02 116.94 116.12 2pa0 h PHE 118 Ca -0.05 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 2pa0 h PHE 118 Cb 0.48 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2pa0 h PHE 118 CO 0.00 0.27 -0.24 -0.09 -0.60 0.00 0.00 178.31 177.65 2pa0 h ARG 119 N 0.14 0.76 -0.27 1.51 2.43 -0.93 -1.01 114.38 117.01 2pa0 h ARG 119 Ca 0.03 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.82 2pa0 h ARG 119 Cb 0.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2pa0 h ARG 119 CO 0.02 0.93 -0.08 0.35 -1.51 0.00 0.00 179.97 179.68 2pa0 h PHE 120 N 0.66 0.60 -0.69 2.20 3.57 -0.27 -2.55 116.94 120.46 2pa0 h PHE 120 Ca 0.09 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2pa0 h PHE 120 Cb 0.75 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2pa0 h PHE 120 CO 0.04 0.75 0.35 -0.07 -2.23 0.00 0.00 178.31 177.14 2pa0 h LEU 121 N 0.28 0.87 -1.51 0.59 3.38 -1.09 -1.79 115.31 116.04 2pa0 h LEU 121 Ca 0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2pa0 h LEU 121 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2pa0 h LEU 121 CO 0.03 0.73 -0.25 -0.08 0.09 0.00 0.00 178.44 178.96 2pa0 h GLU 122 N 0.97 0.00 0.00 1.13 4.81 -1.05 -2.64 114.58 117.80 2pa0 h GLU 122 Ca 0.24 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2pa0 h GLU 122 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2pa0 h GLU 122 CO -0.03 0.25 -0.20 0.78 -0.73 0.00 0.00 179.01 179.07 2pa0 h GLY 123 N 0.76 0.00 -4.57 1.92 0.00 -0.90 -3.45 103.07 96.84 2pa0 h GLY 123 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 2pa0 h GLY 123 CO 0.03 0.00 0.98 1.08 0.00 0.00 0.00 176.54 178.64 2pa0 s LEU 124 N -6.62 4.36 0.00 3.11 1.43 -1.00 -4.90 118.68 115.06 2pa0 s LEU 124 Ca 0.01 2.89 0.20 0.00 -1.03 0.00 0.00 54.13 56.20 2pa0 s LEU 124 Cb 0.09 -3.61 0.34 0.00 0.03 0.00 0.00 46.19 43.05 2pa0 s LEU 124 CO 0.64 -0.96 1.29 0.29 0.23 0.00 0.00 176.35 177.83 2pa0 n LYS 125 N 3.53 2.24 -3.55 1.70 4.76 -1.26 -5.00 118.16 120.58 2pa0 n LYS 125 Ca 0.14 -2.07 -0.08 0.00 -2.87 0.00 0.00 58.31 53.43 2pa0 n LYS 125 Cb 0.36 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 2pa0 n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pa0 s ALA 126 N -1.35 -1.92 0.29 7.82 0.00 -1.26 -5.14 121.76 120.20 2pa0 s ALA 126 Ca 0.32 1.33 -0.27 0.00 0.00 0.00 0.00 51.96 53.34 2pa0 s ALA 126 Cb 0.19 -0.08 -0.14 0.00 0.00 0.00 0.00 23.12 23.09 2pa0 s ALA 126 CO 0.27 -0.55 0.84 -2.30 0.00 0.00 0.00 175.76 174.01 2pa0 n PRO 127 N 0.09 0.93 -3.53 0.00 -0.02 -1.26 -4.99 135.00 126.22 2pa0 n PRO 127 Ca -0.07 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 2pa0 n PRO 127 Cb 0.60 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.10 -1.43 -0.22 3.55 0.00 -1.23 -4.35 121.76 116.97 2pa0 s ALA 128 Ca 0.61 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 2pa0 s ALA 128 Cb -0.74 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2pa0 s ALA 128 CO 0.59 -0.81 0.13 0.08 0.00 0.00 0.00 175.76 175.75 2pa0 s VAL 129 N -3.79 5.19 -0.27 0.00 1.01 -0.80 -1.03 120.40 120.71 2pa0 s VAL 129 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 2pa0 s VAL 129 Cb -0.02 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2pa0 s VAL 129 CO -0.09 0.38 0.01 -0.76 0.00 0.00 0.00 175.10 174.64 2pa0 s LEU 130 N 0.87 3.50 -0.45 3.92 1.43 0.43 -1.78 118.68 126.60 2pa0 s LEU 130 Ca 0.07 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.19 2pa0 s LEU 130 Cb -0.13 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.34 2pa0 s LEU 130 CO 0.03 -0.15 0.67 -0.36 0.23 0.00 0.00 176.35 176.76 2pa0 s PHE 131 N 1.42 3.05 0.00 0.29 0.08 0.09 0.67 117.98 123.57 2pa0 s PHE 131 Ca 0.02 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.01 2pa0 s PHE 131 Cb -0.17 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 2pa0 s PHE 131 CO -0.01 -0.91 0.00 -2.37 -0.10 0.00 0.00 175.22 171.83 2pa0 n THR 132 N 5.89 0.00 -4.57 0.64 5.66 0.70 -1.59 114.28 121.01 2pa0 n THR 132 Ca -0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.72 2pa0 n THR 132 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 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 1.16 2.42 0.20 1.09 3.76 -1.26 -2.32 115.29 120.33 2pa0 s HIS 133 Ca 0.00 -0.62 -0.11 0.00 -0.15 0.00 0.00 55.06 54.18 2pa0 s HIS 133 Cb 0.00 -1.57 0.23 0.00 1.11 0.00 0.00 32.58 32.36 2pa0 s HIS 133 CO 0.00 0.47 1.72 0.78 -0.85 0.00 0.00 174.74 176.86 2pa0 h GLY 134 N 1.91 0.69 1.87 -2.22 0.00 -1.94 -1.68 103.07 101.71 2pa0 h GLY 134 Ca -0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2pa0 h GLY 134 CO 0.76 -0.07 -0.08 -1.33 0.00 0.00 0.00 176.54 175.82 2pa0 h GLY 135 N 0.28 0.17 0.54 4.60 0.00 -1.97 0.33 103.07 107.03 2pa0 h GLY 135 Ca 0.28 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 2pa0 h GLY 135 CO -0.34 0.09 -0.25 -2.08 0.00 0.00 0.00 176.54 173.96 2pa0 h VAL 136 N 0.16 1.49 -0.74 4.60 2.07 -1.67 -1.03 116.25 121.13 2pa0 h VAL 136 Ca 0.04 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.78 2pa0 h VAL 136 Cb 0.25 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 2pa0 h VAL 136 CO 0.01 0.50 0.48 0.58 0.02 0.00 0.00 177.57 179.16 2pa0 h VAL 137 N -0.37 1.15 -0.75 2.57 2.07 -1.20 -1.99 116.25 117.73 2pa0 h VAL 137 Ca -0.02 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2pa0 h VAL 137 Cb 0.95 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2pa0 h VAL 137 CO 0.05 0.18 0.43 -0.09 0.02 0.00 0.00 177.57 178.16 2pa0 h ARG 138 N 0.96 1.03 -0.69 1.57 2.43 -0.89 -0.18 114.38 118.60 2pa0 h ARG 138 Ca 0.28 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2pa0 h ARG 138 Cb -0.06 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.25 2pa0 h ARG 138 CO -0.08 0.75 0.46 0.00 -1.51 0.00 0.00 179.97 179.59 2pa0 h ALA 139 N 1.22 0.88 -0.29 2.80 0.00 -0.64 -0.76 119.26 122.48 2pa0 h ALA 139 Ca 0.27 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2pa0 h ALA 139 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2pa0 h ALA 139 CO -0.05 0.29 -0.16 0.28 0.00 0.00 0.00 179.25 179.62 2pa0 h VAL 140 N 0.93 1.30 -0.29 0.00 2.07 -0.93 -1.86 116.25 117.47 2pa0 h VAL 140 Ca 0.26 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 2pa0 h VAL 140 Cb -0.10 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2pa0 h VAL 140 CO -0.06 0.41 0.02 -0.07 0.02 0.00 0.00 177.57 177.89 2pa0 h LEU 141 N 0.36 0.49 -0.63 2.57 3.38 -0.84 -2.47 115.31 118.17 2pa0 h LEU 141 Ca 0.06 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2pa0 h LEU 141 Cb 0.69 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2pa0 h LEU 141 CO 0.05 0.65 0.22 0.03 0.09 0.00 0.00 178.44 179.48 2pa0 h ARG 142 N 0.30 0.95 0.00 1.13 3.08 -1.00 -0.27 114.38 118.58 2pa0 h ARG 142 Ca 0.09 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2pa0 h ARG 142 Cb 0.39 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2pa0 h ARG 142 CO 0.01 0.83 -0.02 0.00 -1.07 0.00 0.00 179.97 179.72 2pa0 h ALA 143 N 1.08 1.80 -0.32 0.04 0.00 -1.25 0.56 119.26 121.17 2pa0 h ALA 143 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2pa0 h ALA 143 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pa0 h ALA 143 CO -0.01 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2pa0 n LEU 144 N -4.26 2.66 -1.25 0.00 4.77 -0.73 -4.90 117.00 113.29 2pa0 n LEU 144 Ca -0.03 -1.34 -0.10 0.00 -0.03 0.00 0.00 56.01 54.51 2pa0 n LEU 144 Cb 0.10 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2pa0 n LEU 144 CO 0.32 0.46 -0.09 0.61 -1.33 0.00 0.00 177.39 177.35 2pa0 n GLY 145 N 0.66 0.00 3.31 -0.72 0.00 0.20 -4.84 105.19 103.80 2pa0 n GLY 145 Ca 0.13 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.65 1.32 0.18 1.61 2.02 -0.19 -4.98 118.70 114.01 2pa0 s GLU 146 Ca 0.04 -1.68 -0.32 0.00 0.02 0.00 0.00 54.97 53.03 2pa0 s GLU 146 Cb -0.02 -0.38 -0.11 0.00 0.10 0.00 0.00 34.13 33.72 2pa0 s GLU 146 CO 0.05 -0.19 1.68 0.34 0.02 0.00 0.00 175.26 177.16 2pa0 s ASP 147 N -3.28 6.45 0.00 -0.19 2.15 -1.26 -2.88 116.67 117.67 2pa0 s ASP 147 Ca 0.31 2.77 0.22 0.00 0.43 0.00 0.00 52.55 56.28 2pa0 s ASP 147 Cb 0.07 -2.59 0.57 0.00 -0.30 0.00 0.00 42.92 40.66 2pa0 s ASP 147 CO 0.10 -0.93 1.48 0.61 -0.17 0.00 0.00 175.17 176.26 2pa0 n GLY 148 N 3.93 2.04 3.56 2.66 0.00 -1.26 -4.73 105.19 111.39 2pa0 n GLY 148 Ca 0.15 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.15 4.33 0.15 0.99 1.43 -1.26 -3.63 118.68 119.53 2pa0 s LEU 149 Ca 0.44 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.64 2pa0 s LEU 149 Cb 0.24 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2pa0 s LEU 149 CO 0.31 -0.52 -0.19 0.68 0.23 0.00 0.00 176.35 176.86 2pa0 s VAL 150 N 2.50 1.81 0.51 -1.59 -7.23 -1.26 -5.13 120.40 110.01 2pa0 s VAL 150 Ca 0.21 -1.85 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 2pa0 s VAL 150 Cb -0.15 -1.80 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 2pa0 s VAL 150 CO 0.14 -0.26 1.23 -2.84 -0.31 0.00 0.00 175.10 173.06 2pa0 s PRO 151 N -2.62 3.44 0.44 4.82 0.02 -1.26 -4.94 135.00 134.90 2pa0 s PRO 151 Ca 0.14 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 62.83 2pa0 s PRO 151 Cb -0.07 -2.28 -0.09 0.00 0.02 0.00 0.00 34.50 32.08 2pa0 s PRO 151 CO 0.06 -0.85 1.40 -2.30 -0.33 0.00 0.00 177.00 174.98 2pa0 n PRO 152 N -0.83 2.21 -0.98 5.54 -0.02 -1.26 -1.31 135.00 138.35 2pa0 n PRO 152 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2pa0 n PRO 152 Cb 0.47 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2pa0 n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa0 n GLY 153 N 0.63 0.68 4.02 -1.23 0.00 -0.02 -4.78 105.19 104.48 2pa0 n GLY 153 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.44 5.39 0.10 1.61 1.04 -0.43 -4.78 113.70 114.19 2pa0 s SER 154 Ca 0.00 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 2pa0 s SER 154 Cb 0.00 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 2pa0 s SER 154 CO 0.00 -1.01 0.05 0.00 0.98 0.00 0.00 173.24 173.26 2pa0 s ALA 155 N -2.49 0.57 0.01 5.32 0.00 -0.23 -1.67 121.76 123.26 2pa0 s ALA 155 Ca 0.57 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2pa0 s ALA 155 Cb -0.08 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 2pa0 s ALA 155 CO 0.35 -0.45 0.01 0.14 0.00 0.00 0.00 175.76 175.81 2pa0 s VAL 156 N -3.98 0.07 -0.09 0.00 -7.23 -0.25 -0.22 120.40 108.70 2pa0 s VAL 156 Ca 0.15 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 2pa0 s VAL 156 Cb 0.07 -0.21 -0.01 0.00 0.56 0.00 0.00 36.38 36.79 2pa0 s VAL 156 CO -0.04 -0.30 -0.18 0.00 -0.31 0.00 0.00 175.10 174.27 2pa0 s ALA 157 N -0.91 2.44 0.15 1.32 0.00 0.12 -0.02 121.76 124.87 2pa0 s ALA 157 Ca -0.10 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 50.95 2pa0 s ALA 157 Cb -0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2pa0 s ALA 157 CO -0.00 0.35 -0.11 0.14 0.00 0.00 0.00 175.76 176.14 2pa0 s VAL 158 N 0.06 1.25 -0.79 0.00 -7.23 0.13 0.30 120.40 114.12 2pa0 s VAL 158 Ca -0.07 -2.08 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 2pa0 s VAL 158 Cb -0.15 -1.88 0.21 0.00 0.56 0.00 0.00 36.38 35.12 2pa0 s VAL 158 CO 0.05 -0.73 0.69 -0.62 -0.31 0.00 0.00 175.10 174.18 2pa0 s ASP 159 N -3.19 6.29 0.13 4.85 2.15 0.14 -0.78 116.67 126.27 2pa0 s ASP 159 Ca 0.17 -2.85 -0.30 0.00 0.43 0.00 0.00 52.55 50.00 2pa0 s ASP 159 Cb 0.02 -2.09 -0.07 0.00 -0.30 0.00 0.00 42.92 40.48 2pa0 s ASP 159 CO 0.01 -0.47 1.20 0.86 -0.17 0.00 0.00 175.17 176.60 2pa0 s TRP 160 N -0.08 3.44 -0.67 -5.34 -0.11 -0.36 0.14 118.94 115.96 2pa0 s TRP 160 Ca 0.19 1.37 0.01 0.00 1.22 0.00 0.00 56.10 58.89 2pa0 s TRP 160 Cb -0.13 -3.42 0.39 0.00 -1.50 0.00 0.00 33.47 28.80 2pa0 s TRP 160 CO -0.07 -1.22 1.67 -0.35 -4.62 0.00 0.00 176.95 172.36 2pa0 n PRO 161 N 3.09 3.02 -0.09 5.86 -0.04 -1.26 0.81 135.00 146.38 2pa0 n PRO 161 Ca 0.06 -3.89 -0.17 0.00 -0.04 0.00 0.00 63.50 59.46 2pa0 n PRO 161 Cb 0.45 -2.26 -0.07 0.00 -0.04 0.00 0.00 33.50 31.58 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 -0.55 0.40 -3.79 0.54 1.74 0.37 -5.01 116.66 110.36 2pa0 n ARG 162 Ca 0.49 0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 57.65 2pa0 n ARG 162 Cb 0.44 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.34 1.65 -0.01 5.56 1.70 -0.83 -5.02 118.95 119.66 2pa0 s ARG 163 Ca -0.25 -0.88 -0.19 0.00 -0.47 0.00 0.00 55.73 53.94 2pa0 s ARG 163 Cb 0.09 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 35.00 2pa0 s ARG 163 CO 0.34 -0.75 0.55 0.08 -1.08 0.00 0.00 175.30 174.44 2pa0 s VAL 164 N -3.82 4.95 -0.23 4.99 1.01 -1.26 0.28 120.40 126.32 2pa0 s VAL 164 Ca 0.10 1.15 -0.16 0.00 0.00 0.00 0.00 61.98 63.07 2pa0 s VAL 164 Cb -0.05 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 2pa0 s VAL 164 CO 0.04 0.44 -0.23 0.18 0.00 0.00 0.00 175.10 175.52 2pa0 n LEU 165 N 2.67 1.92 -3.60 3.92 4.77 0.15 -4.85 117.00 121.97 2pa0 n LEU 165 Ca -0.08 0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2pa0 n LEU 165 Cb 0.51 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 2pa0 n LEU 165 CO 0.43 0.24 0.27 0.54 -1.33 0.00 0.00 177.39 177.53 2pa0 s VAL 166 N -2.55 0.03 -0.24 4.08 0.11 -0.81 -4.97 120.40 116.05 2pa0 s VAL 166 Ca -0.33 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 2pa0 s VAL 166 Cb 0.10 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2pa0 s VAL 166 CO 0.47 -0.13 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.87 2pa0 s ARG 167 N -1.77 2.63 -0.32 1.54 0.52 -1.26 -0.70 118.95 119.59 2pa0 s ARG 167 Ca -0.09 -1.10 -0.09 0.00 -0.52 0.00 0.00 55.73 53.93 2pa0 s ARG 167 Cb -0.01 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.61 2pa0 s ARG 167 CO 0.04 -0.43 0.14 -1.17 0.02 0.00 0.00 175.30 173.89 2pa0 s LEU 168 N 1.23 4.13 -0.08 2.53 2.96 0.70 -5.00 118.68 125.14 2pa0 s LEU 168 Ca -0.02 -0.68 0.05 0.00 -0.22 0.00 0.00 54.13 53.25 2pa0 s LEU 168 Cb -0.17 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2pa0 s LEU 168 CO -0.07 -0.23 -0.24 0.00 -1.32 0.00 0.00 176.35 174.49 2pa0 s ALA 169 N 1.56 2.14 -0.34 5.97 0.00 -1.26 -1.07 121.76 128.75 2pa0 s ALA 169 Ca 0.03 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2pa0 s ALA 169 Cb -0.18 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.31 2pa0 s ALA 169 CO 0.05 0.35 0.06 -0.51 0.00 0.00 0.00 175.76 175.71 2pa0 s LEU 170 N 0.09 4.65 0.00 0.00 1.43 -1.26 -5.08 118.68 118.52 2pa0 s LEU 170 Ca -0.11 -1.97 0.26 0.00 -1.03 0.00 0.00 54.13 51.28 2pa0 s LEU 170 Cb -0.16 -1.67 1.55 0.00 0.03 0.00 0.00 46.19 45.94 2pa0 s LEU 170 CO 0.06 -0.39 1.90 0.47 0.23 0.00 0.00 176.35 178.63