#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2k n ARG 3 N 0.00 2.25 -1.31 0.58 1.74 -1.26 -4.97 116.66 113.69 2w2k n ARG 3 Ca 0.00 0.80 -0.34 0.00 -0.77 0.00 0.00 57.85 57.54 2w2k n ARG 3 Cb 0.00 -2.51 0.11 0.00 -1.02 0.00 0.00 32.46 29.03 2w2k n ARG 3 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2w2k s PRO 4 N -0.21 1.96 -0.10 5.56 0.02 -1.26 -4.62 135.00 136.34 2w2k s PRO 4 Ca 0.69 1.75 -0.00 0.00 0.02 0.00 0.00 61.00 63.45 2w2k s PRO 4 Cb -0.61 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.07 2w2k s PRO 4 CO 0.47 -1.97 -0.08 1.03 -0.33 0.00 0.00 177.00 176.12 2w2k s ARG 5 N -4.01 3.07 -0.13 5.54 0.52 -1.26 -1.65 118.95 121.02 2w2k s ARG 5 Ca 0.74 -0.57 -0.00 0.00 -0.52 0.00 0.00 55.73 55.37 2w2k s ARG 5 Cb -0.29 -2.66 0.03 0.00 0.52 0.00 0.00 34.95 32.55 2w2k s ARG 5 CO 0.47 0.48 -0.10 0.08 0.02 0.00 0.00 175.30 176.25 2w2k s VAL 6 N -0.32 1.29 -0.06 3.52 1.01 -0.18 -1.15 120.40 124.51 2w2k s VAL 6 Ca 0.04 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2w2k s VAL 6 Cb -0.13 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2w2k s VAL 6 CO 0.02 0.39 1.08 -0.22 0.00 0.00 0.00 175.10 176.37 2w2k s LEU 7 N 1.60 4.28 -0.34 3.92 2.96 -0.41 -0.48 118.68 130.21 2w2k s LEU 7 Ca 0.05 1.67 -0.15 0.00 -0.22 0.00 0.00 54.13 55.48 2w2k s LEU 7 Cb -0.13 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 2w2k s LEU 7 CO -0.09 -0.47 0.34 -0.22 -1.32 0.00 0.00 176.35 174.59 2w2k s LEU 8 N 1.87 4.43 -0.56 -0.68 2.96 0.23 -1.73 118.68 125.20 2w2k s LEU 8 Ca 0.52 -0.24 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 2w2k s LEU 8 Cb -0.21 -2.30 0.06 0.00 0.50 0.00 0.00 46.19 44.23 2w2k s LEU 8 CO 0.21 -0.31 0.83 -0.76 -1.32 0.00 0.00 176.35 175.00 2w2k s LEU 9 N 1.97 4.54 0.00 -0.68 1.43 -0.78 -1.65 118.68 123.50 2w2k s LEU 9 Ca 0.11 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2w2k s LEU 9 Cb -0.17 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2w2k s LEU 9 CO 0.11 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.15 2w2k n GLY 10 N 5.19 -0.84 3.75 -3.19 0.00 -1.26 -3.99 105.19 104.85 2w2k n GLY 10 Ca -0.03 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 2w2k n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w2k s ASP 11 N -4.00 5.15 1.08 1.61 1.01 -1.26 -4.88 116.67 115.38 2w2k s ASP 11 Ca 0.00 2.62 -0.08 0.00 0.71 0.00 0.00 52.55 55.79 2w2k s ASP 11 Cb 0.00 -2.62 0.12 0.00 1.01 0.00 0.00 42.92 41.43 2w2k s ASP 11 CO 0.00 -1.64 0.49 -0.81 0.21 0.00 0.00 175.17 173.42 2w2k n PRO 12 N -1.32 -1.61 -2.00 8.23 -0.04 -1.26 -4.72 135.00 132.28 2w2k n PRO 12 Ca 0.12 -0.78 -0.37 0.00 -0.04 0.00 0.00 63.50 62.43 2w2k n PRO 12 Cb 0.47 -0.67 0.02 0.00 -0.04 0.00 0.00 33.50 33.28 2w2k n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2w2k s ALA 13 N -3.23 2.76 -0.08 0.55 0.00 -1.26 -4.98 121.76 115.52 2w2k s ALA 13 Ca 0.31 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.40 2w2k s ALA 13 Cb -0.02 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2w2k s ALA 13 CO 0.23 -1.11 0.10 0.54 0.00 0.00 0.00 175.76 175.52 2w2k n ARG 14 N -1.09 3.27 0.00 0.00 1.74 -1.26 -4.92 116.66 114.40 2w2k n ARG 14 Ca 0.11 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2w2k n ARG 14 Cb 0.47 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 2w2k n ARG 14 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2w2k n HIS 15 N -1.32 0.00 -3.20 -1.55 8.25 -1.26 -4.91 115.22 111.23 2w2k n HIS 15 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2w2k n HIS 15 Cb 0.06 0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 2w2k n HIS 15 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2w2k n LEU 16 N -2.81 5.73 -0.12 2.41 4.77 -1.26 -4.90 117.00 120.82 2w2k n LEU 16 Ca 0.00 -5.18 -0.09 0.00 -0.03 0.00 0.00 56.01 50.71 2w2k n LEU 16 Cb 0.48 -1.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.30 2w2k n LEU 16 CO 0.00 1.62 0.97 0.44 -1.33 0.00 0.00 177.39 179.08 2w2k h ASP 17 N 5.72 0.46 -0.32 -1.43 3.32 -1.94 -1.26 116.42 120.97 2w2k h ASP 17 Ca 0.19 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2w2k h ASP 17 Cb 0.71 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2w2k h ASP 17 CO 1.16 0.42 0.21 0.44 -1.72 0.00 0.00 179.24 179.74 2w2k h ASP 18 N 0.46 0.35 -0.54 6.45 3.32 -2.00 -1.23 116.42 123.23 2w2k h ASP 18 Ca 0.13 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2w2k h ASP 18 Cb 0.07 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2w2k h ASP 18 CO -0.02 0.25 0.09 0.25 -1.72 0.00 0.00 179.24 178.10 2w2k h LEU 19 N 0.42 0.89 -0.68 1.55 5.85 -1.95 -2.14 115.31 119.24 2w2k h LEU 19 Ca 0.12 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2w2k h LEU 19 Cb -0.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2w2k h LEU 19 CO -0.03 0.90 0.08 -0.25 -0.34 0.00 0.00 178.44 178.79 2w2k h TRP 20 N 0.89 1.17 -0.60 1.25 -0.00 -1.08 -1.28 115.95 116.30 2w2k h TRP 20 Ca 0.18 -0.17 -0.03 0.00 -0.00 0.00 0.00 58.89 58.87 2w2k h TRP 20 Cb 0.39 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.20 2w2k h TRP 20 CO 0.02 0.99 0.26 0.77 -0.00 0.00 0.00 178.44 180.49 2w2k h SER 21 N 1.02 0.81 -0.62 2.65 0.02 -1.09 -1.78 113.55 114.56 2w2k h SER 21 Ca 0.20 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2w2k h SER 21 Cb 0.47 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2w2k h SER 21 CO 0.02 0.74 0.30 -0.78 -1.14 0.00 0.00 176.83 175.97 2w2k h ASP 22 N 0.83 0.40 -0.56 3.07 3.58 -1.26 -2.43 116.42 120.05 2w2k h ASP 22 Ca 0.20 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 2w2k h ASP 22 Cb 0.17 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 2w2k h ASP 22 CO -0.02 0.25 0.30 0.15 -2.88 0.00 0.00 179.24 177.04 2w2k h PHE 23 N 0.55 0.77 0.00 0.28 3.57 -1.01 -2.09 116.94 119.01 2w2k h PHE 23 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2w2k h PHE 23 Cb 0.26 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2w2k h PHE 23 CO -0.11 0.57 0.00 1.96 -2.23 0.00 0.00 178.31 178.50 2w2k h GLN 24 N 0.75 0.00 0.08 1.11 4.20 -1.09 -1.31 115.11 118.84 2w2k h GLN 24 Ca 0.20 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 2w2k h GLN 24 Cb 0.06 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.85 2w2k h GLN 24 CO -0.03 0.00 -0.57 0.37 -0.67 0.00 0.00 178.83 177.93 2w2k h GLN 25 N 0.00 0.16 -0.10 1.46 -0.00 -0.99 -3.37 115.11 112.27 2w2k h GLN 25 Ca 0.00 -0.27 -0.10 0.00 -0.00 0.00 0.00 58.65 58.28 2w2k h GLN 25 Cb 0.55 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.12 2w2k h GLN 25 CO 0.00 1.13 -0.37 0.87 0.00 0.00 0.00 178.83 180.46 2w2k h LYS 26 N -0.65 0.21 -5.37 1.69 1.57 -1.22 -3.46 116.57 109.35 2w2k h LYS 26 Ca -0.11 -0.09 -0.49 0.00 -1.87 0.00 0.00 60.65 58.09 2w2k h LYS 26 Cb 1.38 -0.01 -0.28 0.00 0.08 0.00 0.00 32.23 33.40 2w2k h LYS 26 CO 0.06 0.56 -0.81 -0.06 -0.57 0.00 0.00 179.45 178.63 2w2k s PHE 27 N -4.21 1.31 -0.49 -1.35 0.08 -0.51 -4.37 117.98 108.44 2w2k s PHE 27 Ca -0.04 -0.27 -0.29 0.00 0.12 0.00 0.00 56.93 56.45 2w2k s PHE 27 Cb 0.14 -0.83 0.02 0.00 -0.57 0.00 0.00 43.02 41.78 2w2k s PHE 27 CO 0.76 -0.01 1.24 -2.00 -0.10 0.00 0.00 175.22 175.11 2w2k s GLU 28 N -0.48 3.61 -0.23 0.44 2.12 -0.66 -4.48 118.70 119.01 2w2k s GLU 28 Ca 0.05 0.58 -0.17 0.00 0.36 0.00 0.00 54.97 55.80 2w2k s GLU 28 Cb -0.06 -3.98 -0.03 0.00 0.26 0.00 0.00 34.13 30.32 2w2k s GLU 28 CO -0.00 -1.54 0.45 0.08 -0.54 0.00 0.00 175.26 173.71 2w2k s VAL 29 N 4.95 5.14 -0.33 3.70 1.01 -1.26 -1.01 120.40 132.59 2w2k s VAL 29 Ca 0.51 0.78 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 2w2k s VAL 29 Cb -0.09 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2w2k s VAL 29 CO 0.30 0.18 0.12 -0.63 0.00 0.00 0.00 175.10 175.07 2w2k s ILE 30 N 1.77 4.04 0.16 2.22 1.01 0.37 -4.97 121.20 125.80 2w2k s ILE 30 Ca 0.20 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 2w2k s ILE 30 Cb -0.15 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 2w2k s ILE 30 CO 0.09 -0.11 1.64 -2.84 0.00 0.00 0.00 174.94 173.72 2w2k s PRO 31 N 1.47 4.18 0.47 2.79 0.02 -1.26 -0.60 135.00 142.07 2w2k s PRO 31 Ca 0.01 2.43 0.24 0.00 0.02 0.00 0.00 61.00 63.70 2w2k s PRO 31 Cb -0.19 -3.25 1.14 0.00 0.02 0.00 0.00 34.50 32.22 2w2k s PRO 31 CO 0.04 -0.68 1.94 0.00 -0.33 0.00 0.00 177.00 177.96 2w2k h ALA 32 N 7.22 1.19 -6.19 -1.55 0.00 -1.65 -3.47 119.26 114.81 2w2k h ALA 32 Ca -0.43 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.86 2w2k h ALA 32 Cb 1.20 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 19.00 2w2k h ALA 32 CO 0.93 0.26 -0.86 0.09 0.00 0.00 0.00 179.25 179.66 2w2k n ASN 33 N -3.61 -1.85 -4.77 0.00 3.02 -1.26 -4.87 115.26 101.92 2w2k n ASN 33 Ca -0.01 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.25 2w2k n ASN 33 Cb 0.34 -3.74 -0.00 0.00 -0.61 0.00 0.00 39.78 35.77 2w2k n ASN 33 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2w2k s LEU 34 N -6.66 4.22 0.00 3.41 1.43 -1.26 -4.98 118.68 114.84 2w2k s LEU 34 Ca 0.10 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 2w2k s LEU 34 Cb -0.03 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.32 2w2k s LEU 34 CO 0.84 -0.88 0.00 0.35 0.23 0.00 0.00 176.35 176.89 2w2k n THR 35 N 0.15 0.00 -4.30 5.49 -2.24 -1.26 -5.09 114.28 107.03 2w2k n THR 35 Ca 0.03 0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.73 2w2k n THR 35 Cb 0.43 -0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 2w2k n THR 35 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2w2k s THR 36 N -0.61 1.10 0.15 4.28 -4.23 -1.26 -4.92 115.64 110.14 2w2k s THR 36 Ca 0.00 -2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 58.29 2w2k s THR 36 Cb 0.00 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.68 2w2k s THR 36 CO 0.00 -0.47 1.73 -0.74 -0.54 0.00 0.00 174.62 174.60 2w2k h HIS 37 N 2.57 0.11 -0.45 3.99 2.76 -1.56 -1.46 115.15 121.11 2w2k h HIS 37 Ca -0.38 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 57.74 2w2k h HIS 37 Cb 1.21 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 2w2k h HIS 37 CO 0.60 0.03 -0.02 -0.44 -1.30 0.00 0.00 177.93 176.80 2w2k h ASP 38 N 0.18 0.72 -0.27 3.26 3.32 -1.93 -1.92 116.42 119.79 2w2k h ASP 38 Ca 0.15 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2w2k h ASP 38 Cb 0.16 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2w2k h ASP 38 CO -0.19 0.80 0.01 1.23 -1.72 0.00 0.00 179.24 179.38 2w2k h GLY 39 N 0.96 0.62 0.97 2.75 0.00 -1.90 -2.39 103.07 104.09 2w2k h GLY 39 Ca 0.14 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 2w2k h GLY 39 CO 0.02 0.35 -0.21 -2.75 0.00 0.00 0.00 176.54 173.95 2w2k h PHE 40 N 0.56 0.85 -0.85 5.60 3.57 -0.92 -1.95 116.94 123.80 2w2k h PHE 40 Ca 0.12 -0.23 0.03 0.00 3.53 0.00 0.00 57.97 61.42 2w2k h PHE 40 Cb 0.33 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2w2k h PHE 40 CO 0.01 0.96 0.56 0.87 -2.23 0.00 0.00 178.31 178.48 2w2k h LYS 41 N 0.50 1.06 -0.20 1.11 1.57 -1.23 -1.82 116.57 117.56 2w2k h LYS 41 Ca 0.07 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2w2k h LYS 41 Cb 0.76 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2w2k h LYS 41 CO 0.06 0.70 -0.55 0.37 -0.57 0.00 0.00 179.45 179.46 2w2k h GLN 42 N 1.09 0.60 -0.32 3.15 4.15 -1.30 -1.28 115.11 121.20 2w2k h GLN 42 Ca 0.33 -0.38 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2w2k h GLN 42 Cb -0.02 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2w2k h GLN 42 CO -0.09 0.99 0.19 0.00 -1.93 0.00 0.00 178.83 177.99 2w2k h ALA 43 N 0.94 0.39 -0.51 3.38 0.00 -0.99 -1.41 119.26 121.06 2w2k h ALA 43 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2w2k h ALA 43 Cb 1.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2w2k h ALA 43 CO 0.11 -0.17 0.18 -0.07 0.00 0.00 0.00 179.25 179.30 2w2k h LEU 44 N 0.39 0.73 -0.77 0.00 3.38 -1.22 -1.37 115.31 116.45 2w2k h LEU 44 Ca 0.12 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2w2k h LEU 44 Cb -0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2w2k h LEU 44 CO -0.05 0.72 0.47 -0.09 0.09 0.00 0.00 178.44 179.58 2w2k h ARG 45 N 0.69 0.87 -0.02 1.13 2.43 -1.05 -2.21 114.38 116.22 2w2k h ARG 45 Ca 0.17 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2w2k h ARG 45 Cb 0.23 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2w2k h ARG 45 CO -0.01 0.57 0.00 0.39 -1.51 0.00 0.00 179.97 179.41 2w2k n GLU 46 N -4.66 1.07 -3.02 0.20 1.02 -0.55 -4.92 120.64 109.79 2w2k n GLU 46 Ca 0.10 -0.10 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2w2k n GLU 46 Cb 0.13 -1.25 0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2w2k n GLU 46 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2w2k n LYS 47 N -0.64 -4.22 -0.12 3.49 5.02 -0.83 -4.90 118.16 115.95 2w2k n LYS 47 Ca 0.12 0.81 0.06 0.00 -2.02 0.00 0.00 58.31 57.28 2w2k n LYS 47 Cb 0.08 -5.62 0.38 0.00 -0.02 0.00 0.00 35.03 29.85 2w2k n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2w2k h ARG 48 N -1.13 0.66 -0.01 1.97 3.08 -1.51 -2.27 114.38 115.17 2w2k h ARG 48 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2w2k h ARG 48 Cb 1.34 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2w2k h ARG 48 CO 0.55 0.44 -0.14 0.66 -1.07 0.00 0.00 179.97 180.42 2w2k n TYR 49 N -4.47 0.00 -4.57 3.04 4.01 -1.26 -5.08 117.16 108.83 2w2k n TYR 49 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2w2k n TYR 49 Cb 0.17 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2w2k n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2w2k n GLY 50 N 1.27 -1.36 3.69 2.72 0.00 -0.86 -4.75 105.19 105.90 2w2k n GLY 50 Ca 0.15 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2w2k n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w2k s ASP 51 N -4.00 7.09 0.16 1.61 1.11 -1.26 -4.89 116.67 116.48 2w2k s ASP 51 Ca 0.00 1.83 0.07 0.00 0.18 0.00 0.00 52.55 54.64 2w2k s ASP 51 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2w2k s ASP 51 CO 0.00 -0.53 -0.16 0.72 1.18 0.00 0.00 175.17 176.38 2w2k s PHE 52 N 1.87 1.65 -0.20 4.23 -0.12 -1.26 -4.85 117.98 119.30 2w2k s PHE 52 Ca 0.56 -0.52 0.18 0.00 -0.05 0.00 0.00 56.93 57.10 2w2k s PHE 52 Cb -0.25 -0.82 -0.26 0.00 -0.63 0.00 0.00 43.02 41.05 2w2k s PHE 52 CO 0.24 0.27 0.47 0.39 -0.05 0.00 0.00 175.22 176.53 2w2k n GLU 53 N 0.25 0.69 -3.95 1.99 4.71 -0.30 -2.74 120.64 121.28 2w2k n GLU 53 Ca -0.13 -0.13 -0.09 0.00 -0.01 0.00 0.00 57.16 56.81 2w2k n GLU 53 Cb 0.58 -1.41 -0.08 0.00 -1.01 0.00 0.00 31.44 29.52 2w2k n GLU 53 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2w2k s ALA 54 N -3.13 0.08 -0.03 0.62 0.00 -1.05 -1.04 121.76 117.21 2w2k s ALA 54 Ca -0.04 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2w2k s ALA 54 Cb 0.12 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2w2k s ALA 54 CO 0.74 -0.49 -0.17 0.42 0.00 0.00 0.00 175.76 176.26 2w2k s ILE 55 N -3.91 1.34 0.00 0.00 1.01 -0.69 -1.29 121.20 117.67 2w2k s ILE 55 Ca 0.09 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.10 2w2k s ILE 55 Cb 0.06 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2w2k s ILE 55 CO -0.08 0.38 -0.19 -0.51 0.00 0.00 0.00 174.94 174.55 2w2k s ILE 56 N -0.20 1.47 -0.27 2.92 2.07 -0.71 -1.77 121.20 124.72 2w2k s ILE 56 Ca 0.02 -0.90 -0.04 0.00 -1.41 0.00 0.00 60.65 58.32 2w2k s ILE 56 Cb -0.09 -1.25 0.09 0.00 0.13 0.00 0.00 42.46 41.35 2w2k s ILE 56 CO 0.00 0.33 0.11 -0.75 -1.91 0.00 0.00 174.94 172.72 2w2k s LYS 57 N -0.67 0.27 0.15 3.50 2.20 -0.98 -1.87 119.74 122.34 2w2k s LYS 57 Ca 0.07 -0.53 0.27 0.00 -0.36 0.00 0.00 55.97 55.41 2w2k s LYS 57 Cb -0.08 -1.45 0.87 0.00 -1.51 0.00 0.00 37.83 35.67 2w2k s LYS 57 CO 0.00 -0.94 1.77 1.28 -0.36 0.00 0.00 175.35 177.11 2w2k n LEU 58 N 5.18 0.60 -3.77 5.43 4.77 -1.26 -1.20 117.00 126.75 2w2k n LEU 58 Ca -0.06 0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 56.32 2w2k n LEU 58 Cb 0.43 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 2w2k n LEU 58 CO 0.07 -0.12 0.01 0.00 -1.33 0.00 0.00 177.39 176.02 2w2k s ALA 59 N -3.08 -0.65 0.23 -1.18 0.00 -1.26 -4.44 121.76 111.38 2w2k s ALA 59 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2w2k s ALA 59 Cb 0.14 0.28 0.21 0.00 0.00 0.00 0.00 23.12 23.75 2w2k s ALA 59 CO 0.59 -0.38 1.81 0.28 0.00 0.00 0.00 175.76 178.06 2w2k h VAL 60 N 3.36 1.26 -0.00 0.00 2.07 -1.89 -2.29 116.25 118.75 2w2k h VAL 60 Ca -0.31 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2w2k h VAL 60 Cb 1.19 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2w2k h VAL 60 CO 0.45 0.32 -0.01 -1.84 0.02 0.00 0.00 177.57 176.52 2w2k n GLU 61 N -4.29 0.82 -3.43 1.57 0.00 -1.26 -4.87 120.64 109.18 2w2k n GLU 61 Ca 0.08 -0.05 -0.38 0.00 0.00 0.00 0.00 57.16 56.81 2w2k n GLU 61 Cb 0.16 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.04 2w2k n GLU 61 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2w2k s ASN 62 N -2.21 6.88 -0.04 -1.84 -0.87 -0.86 -4.38 114.94 111.62 2w2k s ASN 62 Ca 0.40 1.05 0.00 0.00 -1.57 0.00 0.00 52.86 52.75 2w2k s ASN 62 Cb 0.21 -2.28 0.00 0.00 -0.02 0.00 0.00 41.25 39.16 2w2k s ASN 62 CO 0.40 0.30 0.00 0.61 -2.57 0.00 0.00 177.10 175.84 2w2k n GLY 63 N 1.73 0.45 0.26 0.66 0.00 -1.26 -4.84 105.19 102.19 2w2k n GLY 63 Ca -0.12 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.38 2w2k n GLY 63 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2w2k h THR 64 N 0.00 0.30 -0.27 2.61 1.35 -1.90 -2.23 112.91 112.78 2w2k h THR 64 Ca -0.01 -0.69 0.08 0.00 -0.55 0.00 0.00 66.41 65.23 2w2k h THR 64 Cb 0.03 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2w2k h THR 64 CO 0.01 0.10 0.21 -0.33 -0.25 0.00 0.00 175.52 175.26 2w2k h GLU 65 N 0.00 0.00 0.00 4.72 3.07 -1.92 -2.41 114.58 118.04 2w2k h GLU 65 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2w2k h GLU 65 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2w2k h GLU 65 CO 0.01 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.28 2w2k h SER 66 N 0.00 0.00 -4.06 1.42 4.64 -1.71 -1.52 113.55 112.31 2w2k h SER 66 Ca 0.13 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.94 2w2k h SER 66 Cb 0.55 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.71 2w2k h SER 66 CO -0.00 0.00 0.45 -0.31 -0.87 0.00 0.00 176.83 176.10 2w2k s TYR 67 N -3.50 2.71 0.46 4.77 2.02 -0.91 -4.38 117.35 118.51 2w2k s TYR 67 Ca 0.03 1.54 -0.14 0.00 -0.37 0.00 0.00 57.07 58.13 2w2k s TYR 67 Cb 0.09 -3.32 -0.07 0.00 -0.40 0.00 0.00 41.96 38.25 2w2k s TYR 67 CO 0.52 -1.58 0.88 -1.25 -1.57 0.00 0.00 175.55 172.55 2w2k s PRO 68 N -3.14 3.89 -1.37 -1.71 0.04 -1.26 -4.74 135.00 126.71 2w2k s PRO 68 Ca 0.71 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 2w2k s PRO 68 Cb -0.25 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.11 2w2k s PRO 68 CO 0.29 -0.14 2.02 0.91 0.04 0.00 0.00 177.00 180.11 2w2k n TRP 69 N -1.37 3.64 -2.21 0.56 7.02 0.11 -4.88 117.44 120.30 2w2k n TRP 69 Ca 0.05 -2.93 -0.27 0.00 -1.02 0.00 0.00 57.50 53.32 2w2k n TRP 69 Cb 0.54 -2.39 0.13 0.00 -2.42 0.00 0.00 31.31 27.17 2w2k n TRP 69 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2w2k s ASN 70 N 2.71 3.94 0.25 -0.99 2.20 -1.26 -1.67 114.94 120.12 2w2k s ASN 70 Ca 0.46 0.11 -0.02 0.00 -0.94 0.00 0.00 52.86 52.46 2w2k s ASN 70 Cb 0.10 -0.40 0.48 0.00 -2.00 0.00 0.00 41.25 39.43 2w2k s ASN 70 CO -0.04 -2.17 1.77 0.00 -2.94 0.00 0.00 177.10 173.72 2w2k h ALA 71 N -1.02 1.21 -0.25 3.54 0.00 -1.94 -1.75 119.26 119.05 2w2k h ALA 71 Ca -0.42 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2w2k h ALA 71 Cb 1.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2w2k h ALA 71 CO 0.44 -0.06 0.09 0.22 0.00 0.00 0.00 179.25 179.94 2w2k h ASP 72 N 0.64 0.36 -0.02 0.00 3.58 -1.97 -1.46 116.42 117.53 2w2k h ASP 72 Ca 0.44 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.71 2w2k h ASP 72 Cb 0.57 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2w2k h ASP 72 CO -0.34 0.45 -0.06 0.25 -2.88 0.00 0.00 179.24 176.66 2w2k h LEU 73 N 0.24 -0.18 -1.63 2.28 6.46 -1.86 -3.11 115.31 117.51 2w2k h LEU 73 Ca 0.08 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2w2k h LEU 73 Cb 0.22 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 2w2k h LEU 73 CO -0.00 -0.09 0.27 0.40 -0.62 0.00 0.00 178.44 178.39 2w2k h ILE 74 N -0.10 1.08 0.00 4.05 2.04 -1.24 -2.25 117.51 121.08 2w2k h ILE 74 Ca 0.03 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2w2k h ILE 74 Cb 0.14 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2w2k h ILE 74 CO -0.08 0.09 0.00 0.77 0.00 0.00 0.00 178.15 178.93 2w2k h SER 75 N 0.50 0.00 -0.30 1.72 4.64 -1.19 -2.37 113.55 116.55 2w2k h SER 75 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2w2k h SER 75 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2w2k h SER 75 CO -0.04 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.33 2w2k n HIS 76 N -2.78 0.39 -2.34 4.77 8.25 -0.85 -4.99 115.22 117.67 2w2k n HIS 76 Ca -0.02 -0.24 -0.37 0.00 -0.26 0.00 0.00 57.72 56.83 2w2k n HIS 76 Cb 0.07 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 2w2k n HIS 76 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2w2k s LEU 77 N -1.32 4.11 0.46 2.41 1.43 -0.89 -4.54 118.68 120.33 2w2k s LEU 77 Ca 0.31 2.25 -0.24 0.00 -1.03 0.00 0.00 54.13 55.43 2w2k s LEU 77 Cb 0.19 -4.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.18 2w2k s LEU 77 CO 0.26 -0.72 1.27 -2.16 0.23 0.00 0.00 176.35 175.22 2w2k s PRO 78 N -2.50 3.68 0.30 1.29 0.04 -1.26 -4.91 135.00 131.64 2w2k s PRO 78 Ca 0.60 2.04 0.24 0.00 0.04 0.00 0.00 61.00 63.92 2w2k s PRO 78 Cb -0.28 -2.50 1.07 0.00 0.04 0.00 0.00 34.50 32.83 2w2k s PRO 78 CO 0.34 -0.69 1.73 0.77 0.04 0.00 0.00 177.00 179.18 2w2k h SER 79 N 2.14 0.00 0.40 6.66 0.02 -1.94 -2.03 113.55 118.80 2w2k h SER 79 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2w2k h SER 79 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2w2k h SER 79 CO 0.60 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 177.06 2w2k h SER 80 N 0.00 0.00 -2.85 3.07 4.64 -1.91 -3.45 113.55 113.04 2w2k h SER 80 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2w2k h SER 80 Cb 0.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2w2k h SER 80 CO 0.00 0.00 0.86 -0.22 -0.87 0.00 0.00 176.83 176.60 2w2k s LEU 81 N -5.10 4.36 -0.06 5.97 2.96 -0.77 -4.37 118.68 121.66 2w2k s LEU 81 Ca -0.00 2.37 0.07 0.00 -0.22 0.00 0.00 54.13 56.35 2w2k s LEU 81 Cb 0.09 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.11 2w2k s LEU 81 CO 0.36 -0.77 0.05 0.29 -1.32 0.00 0.00 176.35 174.96 2w2k n LYS 82 N 4.78 2.30 -3.61 1.98 5.02 -0.21 -4.62 118.16 123.81 2w2k n LYS 82 Ca 0.14 -0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 2w2k n LYS 82 Cb 0.41 -1.19 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 2w2k n LYS 82 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2w2k s VAL 83 N -2.25 0.01 -0.12 -0.18 0.11 -1.12 -1.67 120.40 115.17 2w2k s VAL 83 Ca -0.04 -0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2w2k s VAL 83 Cb 0.03 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2w2k s VAL 83 CO 0.31 -0.02 -0.03 0.12 -3.33 0.00 0.00 175.10 172.15 2w2k s PHE 84 N -0.46 1.21 -0.12 1.54 2.19 -0.61 -1.70 117.98 120.02 2w2k s PHE 84 Ca -0.06 -0.65 -0.00 0.00 0.33 0.00 0.00 56.93 56.55 2w2k s PHE 84 Cb -0.03 -1.09 -0.02 0.00 -1.31 0.00 0.00 43.02 40.58 2w2k s PHE 84 CO 0.05 -0.49 -0.12 0.00 1.83 0.00 0.00 175.22 176.49 2w2k s ALA 85 N 1.80 2.69 0.03 11.12 0.00 -0.73 -1.75 121.76 134.91 2w2k s ALA 85 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2w2k s ALA 85 Cb -0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2w2k s ALA 85 CO -0.07 0.30 -0.09 0.00 0.00 0.00 0.00 175.76 175.89 2w2k s ALA 86 N 0.16 0.75 0.63 0.00 0.00 -0.58 -2.31 121.76 120.41 2w2k s ALA 86 Ca -0.06 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 2w2k s ALA 86 Cb -0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2w2k s ALA 86 CO 0.05 0.10 1.29 0.00 0.00 0.00 0.00 175.76 177.19 2w2k s ALA 87 N -0.86 2.44 0.00 0.00 0.00 -0.34 -2.94 121.76 120.06 2w2k s ALA 87 Ca -0.03 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2w2k s ALA 87 Cb -0.07 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2w2k s ALA 87 CO 0.01 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.66 2w2k n GLY 88 N 0.83 -2.25 3.25 0.00 0.00 -1.26 -4.67 105.19 101.08 2w2k n GLY 88 Ca 0.15 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 2w2k n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w2k s ALA 89 N -1.29 -0.71 -0.08 4.61 0.00 -1.26 -1.32 121.76 121.72 2w2k s ALA 89 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 2w2k s ALA 89 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2w2k s ALA 89 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2w2k n GLY 90 N 0.78 -3.21 3.05 0.00 0.00 -1.26 -5.03 105.19 99.52 2w2k n GLY 90 Ca -0.19 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2w2k n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2w2k s PHE 91 N -0.39 3.68 -0.20 1.61 0.08 -1.26 -4.95 117.98 116.55 2w2k s PHE 91 Ca -0.00 -2.79 0.25 0.00 0.12 0.00 0.00 56.93 54.51 2w2k s PHE 91 Cb 0.00 -2.93 1.23 0.00 -0.57 0.00 0.00 43.02 40.76 2w2k s PHE 91 CO 0.19 -0.95 1.77 -0.44 -0.10 0.00 0.00 175.22 175.70 2w2k h ASP 92 N 7.74 0.00 0.35 1.36 3.32 -1.97 -3.08 116.42 124.13 2w2k h ASP 92 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2w2k h ASP 92 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2w2k h ASP 92 CO 0.56 0.00 -0.23 -2.67 -1.72 0.00 0.00 179.24 175.18 2w2k n TRP 93 N -2.39 0.00 -4.90 4.55 4.27 -1.26 -4.91 117.44 112.80 2w2k n TRP 93 Ca -0.00 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.28 2w2k n TRP 93 Cb 0.13 -0.18 -0.15 0.00 -1.36 0.00 0.00 31.31 29.75 2w2k n TRP 93 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2w2k s LEU 94 N -2.58 2.45 -1.09 5.67 2.96 -1.17 -0.71 118.68 124.21 2w2k s LEU 94 Ca 0.23 -0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 2w2k s LEU 94 Cb 0.19 -1.53 0.12 0.00 0.50 0.00 0.00 46.19 45.48 2w2k s LEU 94 CO 0.53 0.15 1.36 -0.62 -1.32 0.00 0.00 176.35 176.45 2w2k s ASP 95 N 0.42 6.79 0.27 3.68 -1.08 -0.67 -4.88 116.67 121.20 2w2k s ASP 95 Ca -0.13 -2.34 -0.02 0.00 -0.52 0.00 0.00 52.55 49.54 2w2k s ASP 95 Cb -0.17 -2.45 0.37 0.00 -1.46 0.00 0.00 42.92 39.21 2w2k s ASP 95 CO 0.06 -1.03 1.81 0.25 0.52 0.00 0.00 175.17 176.78 2w2k h LEU 96 N 10.81 0.81 -0.90 -1.34 5.85 -1.95 -2.54 115.31 126.05 2w2k h LEU 96 Ca 0.26 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2w2k h LEU 96 Cb 0.95 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2w2k h LEU 96 CO 1.25 0.79 0.20 0.44 -0.34 0.00 0.00 178.44 180.78 2w2k h ASP 97 N 0.83 0.94 -0.56 1.25 3.32 -2.00 -1.77 116.42 118.44 2w2k h ASP 97 Ca 0.18 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 2w2k h ASP 97 Cb 0.30 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2w2k h ASP 97 CO -0.00 0.88 0.07 0.00 -1.72 0.00 0.00 179.24 178.48 2w2k h ALA 98 N 1.24 1.00 0.04 3.45 0.00 -1.91 -1.89 119.26 121.20 2w2k h ALA 98 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2w2k h ALA 98 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2w2k h ALA 98 CO -0.01 0.63 -0.02 1.25 0.00 0.00 0.00 179.25 181.10 2w2k h LEU 99 N 0.92 -0.05 -1.67 0.00 5.85 -1.27 -3.15 115.31 115.94 2w2k h LEU 99 Ca 0.18 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2w2k h LEU 99 Cb 0.43 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2w2k h LEU 99 CO 0.01 0.16 0.18 0.78 -0.34 0.00 0.00 178.44 179.24 2w2k h ASN 100 N -0.26 0.35 -0.31 1.25 2.35 -1.29 -2.20 115.58 115.46 2w2k h ASN 100 Ca -0.01 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2w2k h ASN 100 Cb 0.24 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2w2k h ASN 100 CO 0.01 0.27 0.22 -0.08 -1.65 0.00 0.00 177.43 176.19 2w2k h GLU 101 N 0.41 0.16 -0.12 0.81 4.81 -1.30 -0.85 114.58 118.50 2w2k h GLU 101 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2w2k h GLU 101 Cb -0.02 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2w2k h GLU 101 CO -0.02 0.10 0.00 0.54 -0.73 0.00 0.00 179.01 178.90 2w2k n ARG 102 N -4.48 1.37 -1.44 1.92 1.74 -0.83 -4.90 116.66 110.04 2w2k n ARG 102 Ca 0.04 -0.56 -0.04 0.00 -0.77 0.00 0.00 57.85 56.52 2w2k n ARG 102 Cb 0.27 -1.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 2w2k n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w2k n GLY 103 N 0.88 0.52 3.62 -0.13 0.00 -0.32 -5.02 105.19 104.74 2w2k n GLY 103 Ca 0.11 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 2w2k n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w2k s VAL 104 N -2.16 5.25 0.26 1.61 1.01 -1.17 -4.81 120.40 120.38 2w2k s VAL 104 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2w2k s VAL 104 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2w2k s VAL 104 CO 0.00 0.32 0.92 0.00 0.00 0.00 0.00 175.10 176.34 2w2k s ALA 105 N 1.28 3.31 0.04 5.51 0.00 -0.67 -3.92 121.76 127.30 2w2k s ALA 105 Ca 0.07 0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.67 2w2k s ALA 105 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2w2k s ALA 105 CO 0.06 0.21 -0.25 0.12 0.00 0.00 0.00 175.76 175.90 2w2k s PHE 106 N -1.33 2.36 -0.04 0.00 5.36 -1.26 -1.58 117.98 121.49 2w2k s PHE 106 Ca 0.43 -0.39 0.02 0.00 -0.96 0.00 0.00 56.93 56.04 2w2k s PHE 106 Cb -0.23 -1.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.05 2w2k s PHE 106 CO 0.28 0.14 -0.08 0.00 -1.46 0.00 0.00 175.22 174.10 2w2k s ALA 107 N -0.81 0.89 0.47 11.12 0.00 -0.72 -1.98 121.76 130.73 2w2k s ALA 107 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2w2k s ALA 107 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2w2k s ALA 107 CO 0.02 0.08 0.00 0.27 0.00 0.00 0.00 175.76 176.13 2w2k n ASN 108 N 3.72 0.00 -2.24 0.00 0.23 -1.09 -1.53 115.26 114.35 2w2k n ASN 108 Ca -0.22 -0.30 -0.23 0.00 -0.53 0.00 0.00 54.58 53.29 2w2k n ASN 108 Cb 0.52 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.24 2w2k n ASN 108 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2w2k n SER 109 N -0.91 4.51 -4.58 0.53 7.64 -0.44 -4.68 113.62 115.70 2w2k n SER 109 Ca 0.00 -3.59 -0.53 0.00 1.01 0.00 0.00 58.87 55.76 2w2k n SER 109 Cb 0.00 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 2w2k n SER 109 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2w2k n ARG 110 N -0.61 0.97 0.00 1.43 0.63 -1.26 -2.47 116.66 115.36 2w2k n ARG 110 Ca 0.39 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 2w2k n ARG 110 Cb 0.86 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.80 2w2k n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2w2k n GLY 111 N 2.34 3.29 0.36 5.14 0.00 -1.26 -4.95 105.19 110.11 2w2k n GLY 111 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 2w2k n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w2k h ALA 112 N 0.00 1.53 -0.61 4.61 0.00 -1.86 -2.75 119.26 120.18 2w2k h ALA 112 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2w2k h ALA 112 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2w2k h ALA 112 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.02 2w2k n GLY 113 N -1.41 2.91 0.26 0.00 0.00 -1.26 -4.49 105.19 101.19 2w2k n GLY 113 Ca 0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 2w2k n GLY 113 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2w2k h ASP 114 N 4.03 0.71 -0.02 1.61 5.19 -1.90 -1.23 116.42 124.80 2w2k h ASP 114 Ca 0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2w2k h ASP 114 Cb 1.73 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 41.07 2w2k h ASP 114 CO 0.36 0.51 -0.00 0.74 -3.12 0.00 0.00 179.24 177.73 2w2k h THR 115 N 0.84 1.27 -0.24 0.35 2.02 -1.84 -2.52 112.91 112.79 2w2k h THR 115 Ca 0.24 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2w2k h THR 115 Cb -0.06 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2w2k h THR 115 CO -0.07 0.21 0.16 0.00 0.37 0.00 0.00 175.52 176.19 2w2k h ALA 116 N 0.67 0.31 -0.39 6.16 0.00 -1.80 -1.75 119.26 122.47 2w2k h ALA 116 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2w2k h ALA 116 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2w2k h ALA 116 CO 0.00 -0.21 -0.22 1.15 0.00 0.00 0.00 179.25 179.96 2w2k h THR 117 N 0.32 1.28 -0.69 0.00 2.02 -0.82 -1.85 112.91 113.17 2w2k h THR 117 Ca 0.09 -1.37 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 2w2k h THR 117 Cb -0.03 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2w2k h THR 117 CO -0.02 0.46 0.15 0.77 0.37 0.00 0.00 175.52 177.24 2w2k h SER 118 N 0.64 1.06 -0.69 4.18 4.64 -1.43 -1.57 113.55 120.38 2w2k h SER 118 Ca 0.08 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2w2k h SER 118 Cb 0.79 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2w2k h SER 118 CO 0.06 1.03 0.37 0.44 -0.87 0.00 0.00 176.83 177.86 2w2k h ASP 119 N 1.05 0.87 -0.29 4.97 3.32 -1.19 -1.90 116.42 123.25 2w2k h ASP 119 Ca 0.21 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2w2k h ASP 119 Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2w2k h ASP 119 CO 0.01 0.72 -0.20 0.25 -1.72 0.00 0.00 179.24 178.30 2w2k h LEU 120 N 0.95 0.76 -0.90 1.55 7.12 -1.16 -1.52 115.31 122.12 2w2k h LEU 120 Ca 0.24 -0.26 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 2w2k h LEU 120 Cb 0.05 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 39.94 2w2k h LEU 120 CO -0.04 0.95 0.44 0.00 -0.13 0.00 0.00 178.44 179.67 2w2k h ALA 121 N 1.11 1.15 -0.82 1.25 0.00 -1.18 -2.15 119.26 118.61 2w2k h ALA 121 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2w2k h ALA 121 Cb 0.70 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2w2k h ALA 121 CO 0.05 0.66 0.42 1.25 0.00 0.00 0.00 179.25 181.64 2w2k h LEU 122 N 1.22 1.05 -0.33 0.00 5.85 -1.00 -1.08 115.31 121.03 2w2k h LEU 122 Ca 0.30 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2w2k h LEU 122 Cb 0.08 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2w2k h LEU 122 CO -0.04 0.87 0.08 0.22 -0.34 0.00 0.00 178.44 179.23 2w2k h TYR 123 N 1.16 0.13 -0.57 1.25 3.20 -1.02 -1.33 116.97 119.78 2w2k h TYR 123 Ca 0.29 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 2w2k h TYR 123 Cb 0.08 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2w2k h TYR 123 CO 0.01 0.04 0.11 -0.07 -1.64 0.00 0.00 178.16 176.61 2w2k h LEU 124 N 0.20 0.84 -0.18 2.82 3.38 -1.04 -0.17 115.31 121.16 2w2k h LEU 124 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2w2k h LEU 124 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2w2k h LEU 124 CO -0.19 0.84 0.11 0.40 0.09 0.00 0.00 178.44 179.69 2w2k h ILE 125 N 0.85 1.08 -0.34 1.22 2.04 -0.98 -1.19 117.51 120.20 2w2k h ILE 125 Ca 0.18 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2w2k h ILE 125 Cb 0.35 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2w2k h ILE 125 CO 0.00 0.08 0.18 -0.07 0.00 0.00 0.00 178.15 178.34 2w2k h LEU 126 N 0.21 0.28 -0.53 1.44 3.38 -1.11 -2.64 115.31 116.34 2w2k h LEU 126 Ca 0.06 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2w2k h LEU 126 Cb 0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2w2k h LEU 126 CO -0.01 0.20 0.20 -1.28 0.09 0.00 0.00 178.44 177.64 2w2k h SER 127 N 0.37 0.22 0.80 -0.43 0.87 -0.73 -2.05 113.55 112.59 2w2k h SER 127 Ca 0.14 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 2w2k h SER 127 Cb 0.03 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2w2k h SER 127 CO -0.08 0.15 -0.58 -0.37 -0.53 0.00 0.00 176.83 175.42 2w2k h VAL 128 N 0.39 1.26 0.01 2.23 -1.51 -1.15 -0.96 116.25 116.52 2w2k h VAL 128 Ca 0.26 -2.10 -0.23 0.00 -1.23 0.00 0.00 66.70 63.40 2w2k h VAL 128 Cb 0.27 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2w2k h VAL 128 CO -0.25 0.57 -0.96 -0.26 -1.23 0.00 0.00 177.57 175.44 2w2k h PHE 129 N 0.00 0.55 -0.00 5.19 -1.00 -1.32 -3.37 116.94 116.98 2w2k h PHE 129 Ca -0.01 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.47 2w2k h PHE 129 Cb 1.14 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.64 2w2k h PHE 129 CO 0.00 1.14 -0.87 0.54 -1.61 0.00 0.00 178.31 177.51 2w2k n ARG 130 N -3.71 0.37 -3.71 1.51 5.12 -0.78 -1.96 116.66 113.49 2w2k n ARG 130 Ca -0.06 -0.22 -0.25 0.00 -1.93 0.00 0.00 57.85 55.39 2w2k n ARG 130 Cb 0.85 -1.48 0.06 0.00 -1.16 0.00 0.00 32.46 30.72 2w2k n ARG 130 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2w2k n LEU 131 N -1.17 -3.12 0.12 0.55 4.77 -0.38 -4.86 117.00 112.91 2w2k n LEU 131 Ca 0.05 -0.67 -0.03 0.00 -0.03 0.00 0.00 56.01 55.33 2w2k n LEU 131 Cb 0.35 -2.82 0.13 0.00 -2.33 0.00 0.00 43.42 38.75 2w2k n LEU 131 CO 0.39 0.53 0.45 0.00 -1.33 0.00 0.00 177.39 177.43 2w2k h ALA 132 N 0.97 0.89 -0.42 -1.18 0.00 -1.82 -2.76 119.26 114.93 2w2k h ALA 132 Ca -0.58 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 53.72 2w2k h ALA 132 Cb 1.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2w2k h ALA 132 CO 0.60 0.81 0.23 1.03 0.00 0.00 0.00 179.25 181.92 2w2k h SER 133 N 0.03 0.53 -0.42 0.00 0.87 -1.92 -0.29 113.55 112.35 2w2k h SER 133 Ca -0.01 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2w2k h SER 133 Cb 1.17 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2w2k h SER 133 CO 0.09 0.47 0.17 0.22 -0.53 0.00 0.00 176.83 177.25 2w2k h TYR 134 N 0.55 0.63 -0.73 2.24 3.20 -1.73 -2.76 116.97 118.38 2w2k h TYR 134 Ca 0.15 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.03 2w2k h TYR 134 Cb 0.05 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 2w2k h TYR 134 CO -0.02 0.55 0.43 1.03 -1.64 0.00 0.00 178.16 178.51 2w2k h SER 135 N 0.54 0.66 -0.29 -2.11 0.87 -1.22 -2.13 113.55 109.86 2w2k h SER 135 Ca 0.14 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2w2k h SER 135 Cb 0.18 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2w2k h SER 135 CO -0.01 0.43 0.17 -0.33 -0.53 0.00 0.00 176.83 176.56 2w2k h GLU 136 N 0.80 0.33 -0.83 2.24 5.08 -0.91 -1.62 114.58 119.67 2w2k h GLU 136 Ca 0.32 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2w2k h GLU 136 Cb 0.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2w2k h GLU 136 CO -0.16 0.22 0.44 0.00 -1.00 0.00 0.00 179.01 178.51 2w2k h ARG 137 N 0.34 1.15 -0.45 2.33 3.08 -1.22 -1.53 114.38 118.09 2w2k h ARG 137 Ca 0.11 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2w2k h ARG 137 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2w2k h ARG 137 CO -0.06 0.85 0.24 0.00 -1.07 0.00 0.00 179.97 179.93 2w2k h ALA 138 N 1.33 0.58 -0.77 0.04 0.00 -1.27 -2.97 119.26 116.20 2w2k h ALA 138 Ca 0.29 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2w2k h ALA 138 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2w2k h ALA 138 CO -0.05 0.11 0.51 0.00 0.00 0.00 0.00 179.25 179.83 2w2k h ALA 139 N 1.08 1.45 0.00 0.00 0.00 -0.82 -2.93 119.26 118.04 2w2k h ALA 139 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2w2k h ALA 139 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2w2k h ALA 139 CO -0.02 0.51 0.00 0.54 0.00 0.00 0.00 179.25 180.28 2w2k n ARG 140 N -4.42 0.09 0.20 0.00 1.74 -0.62 -2.43 116.66 111.22 2w2k n ARG 140 Ca 0.08 0.09 0.05 0.00 -0.77 0.00 0.00 57.85 57.31 2w2k n ARG 140 Cb 0.03 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.38 2w2k n ARG 140 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2w2k h THR 141 N 0.00 1.02 -0.27 0.55 1.35 -1.43 -3.47 112.91 110.65 2w2k h THR 141 Ca 0.00 -1.27 -0.12 0.00 -0.55 0.00 0.00 66.41 64.48 2w2k h THR 141 Cb 0.35 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.45 2w2k h THR 141 CO 0.00 0.33 -0.11 0.61 -0.25 0.00 0.00 175.52 176.11 2w2k n GLY 142 N -0.23 0.73 3.48 5.82 0.00 -1.02 -5.00 105.19 108.96 2w2k n GLY 142 Ca -0.01 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2w2k n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2w2k s ASP 143 N -2.41 5.77 0.33 1.61 -1.08 -1.26 -5.01 116.67 114.63 2w2k s ASP 143 Ca 0.00 -0.49 0.05 0.00 -0.52 0.00 0.00 52.55 51.59 2w2k s ASP 143 Cb 0.00 -2.06 0.70 0.00 -1.46 0.00 0.00 42.92 40.10 2w2k s ASP 143 CO 0.00 -0.21 1.90 -0.65 0.52 0.00 0.00 175.17 176.72 2w2k h PRO 144 N 8.41 0.80 -0.33 4.34 0.11 -1.96 -1.78 132.00 141.59 2w2k h PRO 144 Ca -0.32 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 2w2k h PRO 144 Cb 1.15 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2w2k h PRO 144 CO 0.62 0.53 -0.41 0.93 -0.21 0.00 0.00 178.00 179.46 2w2k h GLU 145 N 0.83 0.81 -0.73 1.05 5.08 -2.00 -2.47 114.58 117.15 2w2k h GLU 145 Ca 0.41 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2w2k h GLU 145 Cb 0.46 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2w2k h GLU 145 CO -0.17 1.07 0.25 1.15 -1.00 0.00 0.00 179.01 180.31 2w2k h THR 146 N 0.66 1.25 0.26 1.13 2.02 -1.79 -1.96 112.91 114.49 2w2k h THR 146 Ca 0.05 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 2w2k h THR 146 Cb 0.98 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2w2k h THR 146 CO 0.09 0.34 -0.22 0.15 0.37 0.00 0.00 175.52 176.26 2w2k h PHE 147 N 1.07 -0.57 -0.62 3.16 3.57 -1.20 -1.88 116.94 120.46 2w2k h PHE 147 Ca 0.24 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 2w2k h PHE 147 Cb 0.26 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2w2k h PHE 147 CO 0.02 -0.33 0.13 -0.91 -2.23 0.00 0.00 178.31 175.00 2w2k h ASN 148 N -0.49 0.93 -0.34 0.41 -0.26 -1.43 -2.48 115.58 111.92 2w2k h ASN 148 Ca -0.01 -0.19 -0.06 0.00 -0.56 0.00 0.00 56.30 55.48 2w2k h ASN 148 Cb 0.44 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2w2k h ASN 148 CO -0.02 0.91 -0.02 -0.09 -1.06 0.00 0.00 177.43 177.15 2w2k h ARG 149 N 0.93 0.62 -0.08 0.81 2.43 -1.26 -2.84 114.38 114.99 2w2k h ARG 149 Ca 0.20 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2w2k h ARG 149 Cb 0.36 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2w2k h ARG 149 CO 0.00 0.75 -0.62 0.28 -1.51 0.00 0.00 179.97 178.87 2w2k h VAL 150 N 0.42 1.38 -0.53 0.20 2.07 -1.34 -1.44 116.25 117.00 2w2k h VAL 150 Ca 0.09 -2.00 0.09 0.00 0.82 0.00 0.00 66.70 65.71 2w2k h VAL 150 Cb 0.48 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.18 2w2k h VAL 150 CO 0.02 0.60 0.12 -0.74 0.02 0.00 0.00 177.57 177.58 2w2k h HIS 151 N 0.21 0.19 -0.16 1.57 -0.00 -1.43 -1.52 115.15 114.01 2w2k h HIS 151 Ca -0.01 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.25 2w2k h HIS 151 Cb 1.14 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2w2k h HIS 151 CO 0.03 -0.00 -0.46 -0.07 -0.00 0.00 0.00 177.93 177.42 2w2k h LEU 152 N 0.26 0.68 -0.60 0.26 3.38 -1.30 -3.29 115.31 114.69 2w2k h LEU 152 Ca 0.27 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2w2k h LEU 152 Cb 0.37 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2w2k h LEU 152 CO -0.34 1.15 0.34 -0.08 0.09 0.00 0.00 178.44 179.60 2w2k h GLU 153 N 0.25 0.64 -0.04 1.13 4.81 -1.05 -2.46 114.58 117.86 2w2k h GLU 153 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2w2k h GLU 153 Cb 1.08 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 2w2k h GLU 153 CO 0.10 0.42 -0.04 0.82 -0.73 0.00 0.00 179.01 179.58 2w2k h ILE 154 N 0.66 1.06 0.00 2.32 2.04 -1.36 -2.16 117.51 120.06 2w2k h ILE 154 Ca 0.26 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2w2k h ILE 154 Cb 0.10 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2w2k h ILE 154 CO -0.14 0.07 -0.01 1.23 0.00 0.00 0.00 178.15 179.31 2w2k h GLY 155 N 0.24 0.00 2.00 5.37 0.00 -1.51 -1.26 103.07 107.92 2w2k h GLY 155 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2w2k h GLY 155 CO 0.01 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.05 2w2k h LYS 156 N 0.00 0.00 0.00 4.80 1.79 -1.47 -3.39 116.57 118.30 2w2k h LYS 156 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2w2k h LYS 156 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2w2k h LYS 156 CO 0.00 0.00 -0.11 0.43 -1.08 0.00 0.00 179.45 178.69 2w2k n SER 157 N -2.74 0.54 -4.76 0.86 7.64 -0.95 -5.10 113.62 109.11 2w2k n SER 157 Ca 0.03 -0.02 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 2w2k n SER 157 Cb 0.36 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 2w2k n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2w2k s ALA 158 N -0.26 3.33 0.05 -0.43 0.00 -0.52 -5.00 121.76 118.94 2w2k s ALA 158 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.83 2w2k s ALA 158 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2w2k s ALA 158 CO 0.00 -0.14 -0.11 -1.01 0.00 0.00 0.00 175.76 174.50 2w2k s HIS 159 N -1.27 0.97 0.22 0.00 3.76 -0.83 -4.98 115.29 113.16 2w2k s HIS 159 Ca 0.47 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.64 2w2k s HIS 159 Cb -0.29 -0.56 -0.09 0.00 1.11 0.00 0.00 32.58 32.75 2w2k s HIS 159 CO 0.37 -0.00 1.30 -0.80 -0.85 0.00 0.00 174.74 174.76 2w2k s ASN 160 N -1.52 6.89 0.48 1.40 0.01 -1.26 -4.42 114.94 116.52 2w2k s ASN 160 Ca -0.04 2.44 0.21 0.00 -0.71 0.00 0.00 52.86 54.76 2w2k s ASN 160 Cb -0.09 -2.62 1.23 0.00 0.41 0.00 0.00 41.25 40.18 2w2k s ASN 160 CO 0.01 -0.51 1.94 -0.65 -1.51 0.00 0.00 177.10 176.38 2w2k h PRO 161 N 4.99 0.21 -6.19 -0.60 0.11 -1.94 -3.44 132.00 125.14 2w2k h PRO 161 Ca -0.45 -0.01 -0.72 0.00 0.11 0.00 0.00 66.00 64.92 2w2k h PRO 161 Cb 1.22 -0.05 0.04 0.00 0.11 0.00 0.00 31.00 32.32 2w2k h PRO 161 CO 0.75 0.14 0.51 -2.13 -0.21 0.00 0.00 178.00 177.06 2w2k n ARG 162 N -4.42 0.92 -0.45 1.05 0.63 -1.23 -1.40 116.66 111.76 2w2k n ARG 162 Ca 0.13 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2w2k n ARG 162 Cb 0.62 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.57 2w2k n ARG 162 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2w2k n GLY 163 N 2.82 1.94 3.94 5.14 0.00 -0.39 -4.93 105.19 113.71 2w2k n GLY 163 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 2w2k n GLY 163 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2w2k s HIS 164 N -3.39 3.28 -0.21 1.61 3.76 -0.49 -4.77 115.29 115.08 2w2k s HIS 164 Ca 0.00 0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 55.11 2w2k s HIS 164 Cb 0.00 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 2w2k s HIS 164 CO 0.00 -0.37 0.40 0.08 -0.85 0.00 0.00 174.74 174.00 2w2k s VAL 165 N -2.61 5.19 -0.22 -0.90 1.01 -1.26 -1.68 120.40 119.92 2w2k s VAL 165 Ca 0.48 0.70 -0.23 0.00 0.00 0.00 0.00 61.98 62.94 2w2k s VAL 165 Cb -0.10 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2w2k s VAL 165 CO 0.39 0.23 0.73 -0.22 0.00 0.00 0.00 175.10 176.23 2w2k s LEU 166 N 1.48 4.10 -0.42 3.92 2.96 0.01 -1.43 118.68 129.30 2w2k s LEU 166 Ca 0.19 0.92 -0.15 0.00 -0.22 0.00 0.00 54.13 54.87 2w2k s LEU 166 Cb -0.15 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.54 2w2k s LEU 166 CO 0.08 -0.40 0.32 -0.83 -1.32 0.00 0.00 176.35 174.20 2w2k s GLY 167 N 1.32 2.01 -0.21 7.98 0.00 0.01 -2.03 107.32 116.40 2w2k s GLY 167 Ca 0.32 -1.82 -0.23 0.00 0.00 0.00 0.00 44.72 42.99 2w2k s GLY 167 CO 0.09 0.95 0.72 0.00 0.00 0.00 0.00 173.10 174.86 2w2k s ALA 168 N 1.66 3.57 -0.52 3.20 0.00 -0.37 -0.89 121.76 128.41 2w2k s ALA 168 Ca 0.05 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2w2k s ALA 168 Cb -0.20 -3.11 0.09 0.00 0.00 0.00 0.00 23.12 19.90 2w2k s ALA 168 CO 0.09 -0.71 0.52 0.08 0.00 0.00 0.00 175.76 175.74 2w2k s VAL 169 N 2.28 5.09 0.00 0.00 1.01 -0.64 -1.43 120.40 126.72 2w2k s VAL 169 Ca 0.32 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2w2k s VAL 169 Cb -0.16 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2w2k s VAL 169 CO 0.10 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.01 2w2k n GLY 170 N 5.23 0.33 2.63 4.51 0.00 0.01 -2.02 105.19 115.87 2w2k n GLY 170 Ca -0.11 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 2w2k n GLY 170 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2w2k n LEU 171 N -0.32 2.16 0.00 0.99 7.94 -1.26 -4.80 117.00 121.72 2w2k n LEU 171 Ca 0.00 -3.93 0.00 0.00 -1.11 0.00 0.00 56.01 50.97 2w2k n LEU 171 Cb 0.00 0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.20 2w2k n LEU 171 CO 0.00 1.63 0.00 0.61 -1.11 0.00 0.00 177.39 178.52 2w2k n GLY 172 N -0.23 -0.86 0.18 -3.96 0.00 -1.26 -4.63 105.19 94.43 2w2k n GLY 172 Ca 0.15 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 2w2k n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w2k h ALA 173 N -1.91 0.54 -0.19 4.61 0.00 -1.99 -0.81 119.26 119.51 2w2k h ALA 173 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2w2k h ALA 173 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2w2k h ALA 173 CO 0.00 -0.13 0.02 0.82 0.00 0.00 0.00 179.25 179.96 2w2k h ILE 174 N 0.44 1.23 -0.48 0.00 2.04 -1.94 -3.05 117.51 115.76 2w2k h ILE 174 Ca 0.18 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2w2k h ILE 174 Cb 0.08 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2w2k h ILE 174 CO -0.12 0.23 0.18 -0.61 0.00 0.00 0.00 178.15 177.83 2w2k h GLN 175 N 0.10 0.68 -0.64 2.37 5.75 -1.81 -1.21 115.11 120.35 2w2k h GLN 175 Ca 0.06 -0.10 0.07 0.00 -0.15 0.00 0.00 58.65 58.53 2w2k h GLN 175 Cb 0.33 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 2w2k h GLN 175 CO 0.01 0.57 0.43 0.87 -2.65 0.00 0.00 178.83 178.05 2w2k h LYS 176 N 0.68 0.59 0.14 1.69 1.57 -1.07 0.21 116.57 120.38 2w2k h LYS 176 Ca 0.16 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.66 2w2k h LYS 176 Cb 0.15 -0.13 0.03 0.00 0.08 0.00 0.00 32.23 32.36 2w2k h LYS 176 CO -0.01 0.39 -1.07 0.93 -0.57 0.00 0.00 179.45 179.11 2w2k h GLU 177 N 0.61 0.48 -0.48 3.15 4.39 -1.27 -1.49 114.58 119.96 2w2k h GLU 177 Ca 0.28 -0.70 0.10 0.00 0.34 0.00 0.00 59.36 59.38 2w2k h GLU 177 Cb 0.33 0.24 -0.10 0.00 -0.10 0.00 0.00 28.75 29.12 2w2k h GLU 177 CO -0.09 1.31 -0.21 0.82 -1.16 0.00 0.00 179.01 179.68 2w2k h ILE 178 N -0.01 0.36 -0.48 3.13 2.04 -0.90 -2.18 117.51 119.48 2w2k h ILE 178 Ca -0.17 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 2w2k h ILE 178 Cb 1.80 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2w2k h ILE 178 CO 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.19 2w2k h ALA 179 N 1.23 0.82 -0.38 1.87 0.00 -0.60 -0.29 119.26 121.91 2w2k h ALA 179 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2w2k h ALA 179 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2w2k h ALA 179 CO -0.55 0.65 0.24 -0.09 0.00 0.00 0.00 179.25 179.50 2w2k h ARG 180 N 0.81 0.50 -0.37 0.00 2.43 -1.14 0.40 114.38 117.01 2w2k h ARG 180 Ca 0.12 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 2w2k h ARG 180 Cb 0.70 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2w2k h ARG 180 CO 0.05 0.36 -0.21 0.87 -1.51 0.00 0.00 179.97 179.54 2w2k h LYS 181 N 0.50 0.79 -0.29 0.20 1.57 -1.18 -1.55 116.57 116.62 2w2k h LYS 181 Ca 0.14 -0.36 -0.17 0.00 -1.87 0.00 0.00 60.65 58.39 2w2k h LYS 181 Cb -0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2w2k h LYS 181 CO -0.03 0.98 -0.48 0.00 -0.57 0.00 0.00 179.45 179.35 2w2k h ALA 182 N 0.79 0.61 0.03 3.86 0.00 -0.94 -1.56 119.26 122.04 2w2k h ALA 182 Ca 0.08 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2w2k h ALA 182 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2w2k h ALA 182 CO 0.06 0.68 -0.01 0.28 0.00 0.00 0.00 179.25 180.25 2w2k h VAL 183 N 0.61 0.17 -0.09 0.00 2.07 -0.95 -1.49 116.25 116.58 2w2k h VAL 183 Ca 0.03 -1.09 -0.24 0.00 0.82 0.00 0.00 66.70 66.22 2w2k h VAL 183 Cb 1.06 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2w2k h VAL 183 CO 0.10 0.06 -0.88 0.45 0.02 0.00 0.00 177.57 177.32 2w2k h HIS 184 N -1.01 1.01 0.21 1.57 3.86 -1.44 -2.38 115.15 116.97 2w2k h HIS 184 Ca -0.00 -0.49 -0.01 0.00 -1.16 0.00 0.00 60.37 58.71 2w2k h HIS 184 Cb 0.12 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2w2k h HIS 184 CO 0.03 1.32 -0.10 0.78 0.86 0.00 0.00 177.93 180.81 2w2k h GLY 185 N 0.59 -0.30 1.22 2.45 0.00 -1.35 -3.40 103.07 102.29 2w2k h GLY 185 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2w2k h GLY 185 CO 0.17 -0.11 -0.61 1.41 0.00 0.00 0.00 176.54 177.40 2w2k h LEU 186 N -0.86 0.00 0.00 3.11 3.38 -1.27 -3.49 115.31 116.18 2w2k h LEU 186 Ca -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2w2k h LEU 186 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2w2k h LEU 186 CO 0.05 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.27 2w2k n GLY 187 N 1.31 0.66 3.84 0.83 0.00 -0.82 -3.54 105.19 107.47 2w2k n GLY 187 Ca 0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2w2k n GLY 187 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2w2k s MET 188 N -1.06 2.33 0.05 1.61 -1.94 -0.62 -1.27 119.30 118.40 2w2k s MET 188 Ca 0.00 0.54 0.02 0.00 -1.71 0.00 0.00 55.69 54.54 2w2k s MET 188 Cb 0.00 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 2w2k s MET 188 CO 0.00 -1.42 0.05 0.15 -0.01 0.00 0.00 175.02 173.79 2w2k s LYS 189 N -5.26 2.84 -0.16 2.03 1.02 -0.68 -4.41 119.74 115.13 2w2k s LYS 189 Ca 0.60 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 2w2k s LYS 189 Cb -0.13 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 2w2k s LYS 189 CO 0.53 0.59 -0.11 -1.17 -0.92 0.00 0.00 175.35 174.27 2w2k s LEU 190 N -2.08 2.74 -0.00 3.17 2.96 -1.26 -0.81 118.68 123.39 2w2k s LEU 190 Ca 0.25 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2w2k s LEU 190 Cb -0.12 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2w2k s LEU 190 CO 0.17 0.09 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.37 2w2k s VAL 191 N 0.78 1.86 0.03 1.68 1.01 -0.86 -2.39 120.40 122.51 2w2k s VAL 191 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2w2k s VAL 191 Cb -0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2w2k s VAL 191 CO 0.01 0.46 -0.04 -0.72 0.00 0.00 0.00 175.10 174.81 2w2k s TYR 192 N -0.62 0.40 -0.11 5.22 -0.85 -0.52 -1.24 117.35 119.64 2w2k s TYR 192 Ca 0.09 -0.64 0.01 0.00 -0.52 0.00 0.00 57.07 56.02 2w2k s TYR 192 Cb -0.09 -0.28 -0.01 0.00 0.38 0.00 0.00 41.96 41.96 2w2k s TYR 192 CO -0.00 -0.20 -0.16 -0.47 -1.52 0.00 0.00 175.55 173.20 2w2k s TYR 193 N -1.97 2.73 0.10 -3.49 5.04 -0.51 -1.41 117.35 117.83 2w2k s TYR 193 Ca -0.10 -0.66 -0.14 0.00 -2.44 0.00 0.00 57.07 53.74 2w2k s TYR 193 Cb -0.06 -1.78 0.02 0.00 0.35 0.00 0.00 41.96 40.49 2w2k s TYR 193 CO -0.02 -0.20 0.34 0.34 -1.34 0.00 0.00 175.55 174.67 2w2k s ASP 194 N 0.18 -0.14 0.55 4.32 -1.08 -1.26 -0.81 116.67 118.43 2w2k s ASP 194 Ca -0.09 -0.36 0.29 0.00 -0.52 0.00 0.00 52.55 51.86 2w2k s ASP 194 Cb -0.15 0.42 1.61 0.00 -1.46 0.00 0.00 42.92 43.34 2w2k s ASP 194 CO 0.06 -0.78 2.15 -0.37 0.52 0.00 0.00 175.17 176.74 2w2k h VAL 195 N 2.60 0.54 -3.91 1.11 -1.51 -2.00 -3.43 116.25 109.65 2w2k h VAL 195 Ca -0.34 -0.33 -0.46 0.00 -1.23 0.00 0.00 66.70 64.35 2w2k h VAL 195 Cb 1.23 1.21 -0.21 0.00 -2.13 0.00 0.00 31.29 31.39 2w2k h VAL 195 CO 0.49 0.07 -0.79 0.00 -1.23 0.00 0.00 177.57 176.11 2w2k s ALA 196 N -4.35 1.39 0.46 5.19 0.00 -1.26 -5.13 121.76 118.06 2w2k s ALA 196 Ca -0.04 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.59 2w2k s ALA 196 Cb 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 2w2k s ALA 196 CO 0.57 0.22 1.18 -1.25 0.00 0.00 0.00 175.76 176.48 2w2k s PRO 197 N -1.87 3.73 0.48 0.00 0.04 -1.26 -5.00 135.00 131.12 2w2k s PRO 197 Ca 0.01 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 2w2k s PRO 197 Cb -0.10 -2.41 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 2w2k s PRO 197 CO 0.03 -0.59 1.23 0.00 0.04 0.00 0.00 177.00 177.71 2w2k s ALA 198 N -1.52 2.93 0.72 8.56 0.00 -1.26 -4.99 121.76 126.21 2w2k s ALA 198 Ca 0.64 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 2w2k s ALA 198 Cb -0.30 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.39 2w2k s ALA 198 CO 0.36 -0.89 0.98 -0.40 0.00 0.00 0.00 175.76 175.82 2w2k n ASP 199 N -0.63 0.54 0.19 0.00 5.68 -1.26 -4.74 116.55 116.33 2w2k n ASP 199 Ca 0.08 0.67 0.16 0.00 -0.50 0.00 0.00 54.79 55.20 2w2k n ASP 199 Cb 0.47 -1.41 0.78 0.00 -1.14 0.00 0.00 41.12 39.81 2w2k n ASP 199 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2w2k h ALA 200 N -0.25 1.93 0.16 2.12 0.00 -2.00 -1.88 119.26 119.35 2w2k h ALA 200 Ca -0.47 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 2w2k h ALA 200 Cb 1.33 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2w2k h ALA 200 CO 0.47 -0.26 -1.38 0.93 0.00 0.00 0.00 179.25 179.01 2w2k h GLU 201 N 0.00 0.34 -0.27 0.00 4.39 -2.00 -2.63 114.58 114.42 2w2k h GLU 201 Ca 0.09 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 2w2k h GLU 201 Cb 0.42 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2w2k h GLU 201 CO -0.00 1.26 0.15 1.15 -1.16 0.00 0.00 179.01 180.41 2w2k h THR 202 N 0.09 1.12 -0.57 1.13 2.02 -1.72 -2.05 112.91 112.93 2w2k h THR 202 Ca -0.19 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2w2k h THR 202 Cb 2.04 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 2w2k h THR 202 CO 0.21 0.12 0.36 -0.33 0.37 0.00 0.00 175.52 176.25 2w2k h GLU 203 N 0.33 0.77 -0.41 6.66 5.08 -1.43 -2.06 114.58 123.52 2w2k h GLU 203 Ca 0.10 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2w2k h GLU 203 Cb 0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2w2k h GLU 203 CO -0.02 0.54 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.22 2w2k h LYS 204 N 0.77 0.79 -0.53 2.33 3.64 -1.46 -1.43 116.57 120.70 2w2k h LYS 204 Ca 0.21 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 2w2k h LYS 204 Cb -0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2w2k h LYS 204 CO -0.04 0.91 0.08 0.00 -2.27 0.00 0.00 179.45 178.13 2w2k h ALA 205 N 0.85 1.15 -0.01 5.00 0.00 -1.20 -3.21 119.26 121.85 2w2k h ALA 205 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2w2k h ALA 205 Cb 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2w2k h ALA 205 CO 0.04 0.56 -0.78 1.28 0.00 0.00 0.00 179.25 180.35 2w2k n LEU 206 N -4.25 1.32 -3.47 0.00 4.77 -0.79 -4.97 117.00 109.61 2w2k n LEU 206 Ca 0.03 -0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 55.23 2w2k n LEU 206 Cb 0.26 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 2w2k n LEU 206 CO 0.41 0.28 0.21 0.61 -1.33 0.00 0.00 177.39 177.58 2w2k n GLY 207 N 1.47 -0.52 3.71 -0.72 0.00 -0.60 -4.57 105.19 103.96 2w2k n GLY 207 Ca 0.06 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2w2k n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w2k s ALA 208 N -3.30 3.34 -0.24 4.61 0.00 -0.80 -4.52 121.76 120.85 2w2k s ALA 208 Ca 0.54 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 2w2k s ALA 208 Cb -0.24 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 2w2k s ALA 208 CO 0.67 -0.45 0.06 -2.00 0.00 0.00 0.00 175.76 174.04 2w2k s GLU 209 N 1.34 3.64 0.13 0.00 2.12 -1.01 -4.93 118.70 120.00 2w2k s GLU 209 Ca 0.55 -0.49 -0.26 0.00 0.36 0.00 0.00 54.97 55.14 2w2k s GLU 209 Cb -0.25 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 2w2k s GLU 209 CO 0.27 -0.16 0.79 0.50 -0.54 0.00 0.00 175.26 176.11 2w2k s ARG 210 N 1.53 4.56 0.33 4.30 3.52 -1.26 -1.43 118.95 130.50 2w2k s ARG 210 Ca 0.06 1.15 0.09 0.00 -0.13 0.00 0.00 55.73 56.90 2w2k s ARG 210 Cb -0.15 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2w2k s ARG 210 CO 0.03 0.47 0.04 0.14 -0.81 0.00 0.00 175.30 175.17 2w2k s VAL 211 N -0.79 2.87 -0.18 7.11 -7.23 -0.50 -4.93 120.40 116.75 2w2k s VAL 211 Ca 0.37 -1.90 0.19 0.00 -1.81 0.00 0.00 61.98 58.83 2w2k s VAL 211 Cb -0.22 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2w2k s VAL 211 CO 0.26 -0.23 1.02 0.44 -0.31 0.00 0.00 175.10 176.28 2w2k h ASP 212 N 1.76 0.00 -4.78 4.85 3.32 -1.99 -3.43 116.42 116.16 2w2k h ASP 212 Ca -0.43 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.41 2w2k h ASP 212 Cb 1.25 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 2w2k h ASP 212 CO 0.64 0.34 -0.68 -0.94 -1.72 0.00 0.00 179.24 176.89 2w2k s SER 213 N -5.75 0.95 0.25 6.45 1.04 -1.26 -5.03 113.70 110.34 2w2k s SER 213 Ca -0.01 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 2w2k s SER 213 Cb 0.09 0.14 0.30 0.00 0.10 0.00 0.00 66.02 66.64 2w2k s SER 213 CO 0.79 -0.53 1.67 -0.07 0.98 0.00 0.00 173.24 176.08 2w2k h LEU 214 N 2.94 0.62 -0.90 2.42 3.38 -1.99 -2.18 115.31 119.61 2w2k h LEU 214 Ca -0.35 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 2w2k h LEU 214 Cb 1.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2w2k h LEU 214 CO 0.64 0.86 0.16 -0.33 0.09 0.00 0.00 178.44 179.86 2w2k h GLU 215 N 0.54 0.97 -0.42 1.13 5.08 -1.94 -0.62 114.58 119.32 2w2k h GLU 215 Ca 0.08 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2w2k h GLU 215 Cb 0.71 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2w2k h GLU 215 CO 0.05 0.86 0.27 0.93 -1.00 0.00 0.00 179.01 180.13 2w2k h GLU 216 N 0.93 0.56 0.07 2.33 5.08 -1.94 -2.26 114.58 119.34 2w2k h GLU 216 Ca 0.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2w2k h GLU 216 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2w2k h GLU 216 CO -0.00 0.38 -0.03 1.25 -1.00 0.00 0.00 179.01 179.61 2w2k h LEU 217 N 0.56 -0.07 -0.59 1.33 7.12 -1.25 -2.82 115.31 119.59 2w2k h LEU 217 Ca 0.15 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.28 2w2k h LEU 217 Cb -0.05 0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.01 2w2k h LEU 217 CO -0.03 -0.05 0.10 0.00 -0.13 0.00 0.00 178.44 178.32 2w2k h ALA 218 N 0.85 0.67 -0.18 1.25 0.00 -1.04 -2.52 119.26 118.28 2w2k h ALA 218 Ca -0.01 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2w2k h ALA 218 Cb 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2w2k h ALA 218 CO 0.01 -0.33 -0.13 -0.09 0.00 0.00 0.00 179.25 178.72 2w2k h ARG 219 N 0.22 0.30 0.00 0.00 2.43 -1.29 -3.06 114.38 112.98 2w2k h ARG 219 Ca 0.31 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2w2k h ARG 219 Cb 0.46 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2w2k h ARG 219 CO -0.42 0.44 -0.18 0.54 -1.51 0.00 0.00 179.97 178.84 2w2k n ARG 220 N -4.25 0.28 -3.55 0.20 5.12 -0.96 -4.61 116.66 108.88 2w2k n ARG 220 Ca -0.00 0.18 -0.35 0.00 -1.93 0.00 0.00 57.85 55.75 2w2k n ARG 220 Cb 0.28 -1.78 -0.06 0.00 -1.16 0.00 0.00 32.46 29.75 2w2k n ARG 220 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2w2k s SER 221 N -4.48 6.68 -0.13 0.55 0.01 -1.15 -4.81 113.70 110.36 2w2k s SER 221 Ca 0.09 0.84 0.05 0.00 1.31 0.00 0.00 55.95 58.23 2w2k s SER 221 Cb 0.12 -2.20 -0.23 0.00 0.21 0.00 0.00 66.02 63.92 2w2k s SER 221 CO 0.63 0.19 0.30 0.47 0.41 0.00 0.00 173.24 175.24 2w2k n ASP 222 N 1.01 1.39 -3.82 2.44 8.00 -0.52 -4.62 116.55 120.44 2w2k n ASP 222 Ca -0.09 0.18 -0.18 0.00 0.71 0.00 0.00 54.79 55.41 2w2k n ASP 222 Cb 0.52 -0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 41.21 2w2k n ASP 222 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w2k s VAL 224 N 1.17 4.97 -0.25 0.00 1.01 -0.59 -0.81 120.40 125.91 2w2k s VAL 224 Ca -0.08 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 2w2k s VAL 224 Cb -0.13 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2w2k s VAL 224 CO -0.02 0.47 -0.07 -0.55 0.00 0.00 0.00 175.10 174.93 2w2k s SER 225 N -0.43 4.27 -0.32 3.32 0.15 -0.07 -1.33 113.70 119.29 2w2k s SER 225 Ca 0.27 -0.88 -0.21 0.00 0.70 0.00 0.00 55.95 55.83 2w2k s SER 225 Cb -0.17 -1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 62.48 2w2k s SER 225 CO 0.15 -0.12 0.69 -0.69 1.20 0.00 0.00 173.24 174.46 2w2k s VAL 226 N 1.32 4.87 -0.42 4.45 1.01 -0.74 -1.62 120.40 129.27 2w2k s VAL 226 Ca 0.00 0.91 0.05 0.00 0.00 0.00 0.00 61.98 62.94 2w2k s VAL 226 Cb -0.17 -4.07 0.17 0.00 0.00 0.00 0.00 36.38 32.32 2w2k s VAL 226 CO -0.05 -0.22 0.48 -0.55 0.00 0.00 0.00 175.10 174.76 2w2k s SER 227 N 1.67 0.29 0.04 3.32 0.15 -0.86 -3.22 113.70 115.11 2w2k s SER 227 Ca 0.27 -1.85 -0.01 0.00 0.70 0.00 0.00 55.95 55.07 2w2k s SER 227 Cb -0.14 0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 2w2k s SER 227 CO 0.13 -0.18 -0.03 0.68 1.20 0.00 0.00 173.24 175.04 2w2k s VAL 228 N 1.05 0.19 0.33 4.45 -7.23 -1.26 -4.35 120.40 113.59 2w2k s VAL 228 Ca 0.23 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 2w2k s VAL 228 Cb -0.07 -1.25 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 2w2k s VAL 228 CO -0.07 -0.89 1.33 -2.84 -0.31 0.00 0.00 175.10 172.32 2w2k s PRO 229 N -3.39 4.32 -0.17 4.82 0.02 -1.26 -4.67 135.00 134.67 2w2k s PRO 229 Ca 0.02 2.26 -0.22 0.00 0.02 0.00 0.00 61.00 63.08 2w2k s PRO 229 Cb 0.04 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.48 2w2k s PRO 229 CO -0.08 -0.24 0.66 -0.47 -0.33 0.00 0.00 177.00 176.55 2w2k s TYR 230 N -1.10 3.41 0.34 6.54 5.04 -1.26 -4.78 117.35 125.54 2w2k s TYR 230 Ca 0.50 1.01 -0.17 0.00 -2.44 0.00 0.00 57.07 55.97 2w2k s TYR 230 Cb -0.41 -2.82 0.06 0.00 0.35 0.00 0.00 41.96 39.14 2w2k s TYR 230 CO 0.54 -0.14 0.83 0.00 -1.34 0.00 0.00 175.55 175.44 2w2k s MET 231 N 1.75 2.02 0.25 4.97 0.23 -1.26 -5.02 119.30 122.25 2w2k s MET 231 Ca 0.31 -1.28 -0.03 0.00 -1.03 0.00 0.00 55.69 53.66 2w2k s MET 231 Cb -0.16 0.58 0.50 0.00 -1.53 0.00 0.00 34.83 34.22 2w2k s MET 231 CO 0.12 -0.95 1.73 -0.22 -2.03 0.00 0.00 175.02 173.67 2w2k h LYS 232 N 2.00 0.47 0.00 3.16 3.64 -1.98 -1.18 116.57 122.67 2w2k h LYS 232 Ca -0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2w2k h LYS 232 Cb 1.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2w2k h LYS 232 CO 0.38 0.31 0.00 1.28 -2.27 0.00 0.00 179.45 179.15 2w2k n LEU 233 N -4.97 0.17 -0.72 5.20 4.77 -1.26 -2.61 117.00 117.57 2w2k n LEU 233 Ca 0.16 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.73 2w2k n LEU 233 Cb 0.44 -0.48 0.15 0.00 -2.33 0.00 0.00 43.42 41.20 2w2k n LEU 233 CO 0.18 -0.13 0.60 0.35 -1.33 0.00 0.00 177.39 177.06 2w2k n THR 234 N -1.66 0.67 -1.98 -5.08 -2.24 -0.48 -4.81 114.28 98.69 2w2k n THR 234 Ca 0.06 -0.83 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 2w2k n THR 234 Cb 0.30 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 2w2k n THR 234 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2w2k s HIS 235 N -1.05 2.33 -1.38 4.78 5.04 -1.01 -2.58 115.29 121.41 2w2k s HIS 235 Ca 0.25 0.33 -0.08 0.00 -1.54 0.00 0.00 55.06 54.02 2w2k s HIS 235 Cb 0.14 -3.92 0.05 0.00 0.04 0.00 0.00 32.58 28.89 2w2k s HIS 235 CO 0.19 -3.73 0.55 0.72 -2.34 0.00 0.00 174.74 170.13 2w2k n HIS 236 N 6.00 -1.88 -0.31 3.88 8.25 -0.41 -4.88 115.22 125.87 2w2k n HIS 236 Ca 0.16 0.50 0.07 0.00 -0.26 0.00 0.00 57.72 58.19 2w2k n HIS 236 Cb 0.41 -3.53 0.23 0.00 1.12 0.00 0.00 29.99 28.22 2w2k n HIS 236 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2w2k h LEU 237 N -1.16 0.66 -8.46 2.41 5.85 -1.11 -3.35 115.31 110.16 2w2k h LEU 237 Ca -0.47 0.08 -0.72 0.00 0.84 0.00 0.00 57.88 57.61 2w2k h LEU 237 Cb 1.32 -0.04 -0.21 0.00 0.37 0.00 0.00 40.66 42.09 2w2k h LEU 237 CO 0.55 0.31 -0.37 -0.63 -0.34 0.00 0.00 178.44 177.96 2w2k s ILE 238 N -5.97 5.23 0.03 4.05 -1.09 -0.72 -4.92 121.20 117.81 2w2k s ILE 238 Ca -0.12 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 2w2k s ILE 238 Cb 0.22 -4.00 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2w2k s ILE 238 CO 0.79 -0.40 0.02 -0.90 -1.23 0.00 0.00 174.94 173.22 2w2k n ASP 239 N 5.25 0.61 -0.26 3.58 5.75 -1.26 -1.97 116.55 128.25 2w2k n ASP 239 Ca -0.11 -1.19 0.07 0.00 -0.01 0.00 0.00 54.79 53.56 2w2k n ASP 239 Cb 0.46 0.11 0.21 0.00 -1.03 0.00 0.00 41.12 40.87 2w2k n ASP 239 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2w2k h GLU 240 N 0.00 0.27 -0.29 0.11 3.07 -1.93 -2.03 114.58 113.78 2w2k h GLU 240 Ca -0.03 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.73 2w2k h GLU 240 Cb 0.11 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2w2k h GLU 240 CO 0.04 0.18 -0.18 0.00 -1.40 0.00 0.00 179.01 177.65 2w2k h ALA 241 N 1.65 1.15 -0.07 3.43 0.00 -1.98 -1.06 119.26 122.38 2w2k h ALA 241 Ca 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2w2k h ALA 241 Cb 0.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2w2k h ALA 241 CO -0.54 0.54 0.02 0.35 0.00 0.00 0.00 179.25 179.62 2w2k h PHE 242 N 0.47 0.12 -0.73 0.00 3.57 -1.74 -2.38 116.94 116.25 2w2k h PHE 242 Ca 0.08 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2w2k h PHE 242 Cb 0.58 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2w2k h PHE 242 CO 0.02 0.28 0.23 0.74 -2.23 0.00 0.00 178.31 177.35 2w2k h PHE 243 N -0.08 1.16 -0.80 0.41 0.04 -1.28 -2.21 116.94 114.18 2w2k h PHE 243 Ca 0.02 -0.11 0.13 0.00 2.80 0.00 0.00 57.97 60.81 2w2k h PHE 243 Cb 0.22 -0.34 -0.06 0.00 2.20 0.00 0.00 35.95 37.97 2w2k h PHE 243 CO -0.00 0.92 0.53 0.00 -0.60 0.00 0.00 178.31 179.15 2w2k h ALA 244 N 1.16 1.95 0.00 2.45 0.00 -1.11 -1.96 119.26 121.75 2w2k h ALA 244 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2w2k h ALA 244 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2w2k h ALA 244 CO -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2w2k h ALA 245 N 1.62 1.00 -2.44 0.00 0.00 -0.87 -3.47 119.26 115.11 2w2k h ALA 245 Ca 0.39 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.79 2w2k h ALA 245 Cb 0.71 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.61 2w2k h ALA 245 CO -0.15 0.00 0.36 -1.64 0.00 0.00 0.00 179.25 177.82 2w2k s MET 246 N -3.29 2.67 0.47 0.00 1.00 -0.74 -3.45 119.30 115.96 2w2k s MET 246 Ca 0.06 1.36 -0.20 0.00 0.00 0.00 0.00 55.69 56.92 2w2k s MET 246 Cb 0.07 -1.94 -0.09 0.00 0.00 0.00 0.00 34.83 32.87 2w2k s MET 246 CO 0.62 -1.35 0.98 -1.59 0.00 0.00 0.00 175.02 173.68 2w2k s LYS 247 N -4.24 4.03 0.27 2.03 -2.85 -1.26 -4.95 119.74 112.76 2w2k s LYS 247 Ca 0.66 1.14 -0.31 0.00 -1.00 0.00 0.00 55.97 56.47 2w2k s LYS 247 Cb -0.20 -2.14 -0.12 0.00 -2.06 0.00 0.00 37.83 33.30 2w2k s LYS 247 CO 0.44 -0.21 1.52 -2.30 0.10 0.00 0.00 175.35 174.91 2w2k n PRO 248 N -0.98 2.43 -1.09 1.78 -0.02 -1.26 -2.67 135.00 133.19 2w2k n PRO 248 Ca 0.07 0.87 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 2w2k n PRO 248 Cb 0.54 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 2w2k n PRO 248 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w2k n GLY 249 N 2.23 0.56 2.10 -1.23 0.00 0.00 -5.01 105.19 103.84 2w2k n GLY 249 Ca 0.10 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2w2k n GLY 249 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2w2k n SER 250 N 1.60 0.42 -3.91 1.61 3.41 -1.09 -4.27 113.62 111.40 2w2k n SER 250 Ca -0.02 -1.45 -0.10 0.00 -0.26 0.00 0.00 58.87 57.03 2w2k n SER 250 Cb 0.09 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 2w2k n SER 250 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2w2k s ARG 251 N -4.19 0.45 -0.03 4.33 0.52 -1.03 -0.78 118.95 118.22 2w2k s ARG 251 Ca 0.38 -0.49 -0.05 0.00 -0.52 0.00 0.00 55.73 55.05 2w2k s ARG 251 Cb -0.02 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.64 2w2k s ARG 251 CO 0.26 -0.10 0.12 -1.50 0.02 0.00 0.00 175.30 174.10 2w2k s ILE 252 N -1.53 0.03 0.08 1.52 2.07 -1.17 -1.55 121.20 120.65 2w2k s ILE 252 Ca -0.14 -0.25 0.07 0.00 -1.41 0.00 0.00 60.65 58.91 2w2k s ILE 252 Cb -0.08 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 2w2k s ILE 252 CO 0.00 -0.14 -0.17 0.68 -1.91 0.00 0.00 174.94 173.40 2w2k s VAL 253 N -0.43 1.41 -0.08 4.00 -7.23 -0.44 -0.92 120.40 116.70 2w2k s VAL 253 Ca -0.05 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2w2k s VAL 253 Cb -0.03 -1.30 0.03 0.00 0.56 0.00 0.00 36.38 35.63 2w2k s VAL 253 CO 0.00 -0.11 -0.03 0.21 -0.31 0.00 0.00 175.10 174.87 2w2k s ASN 254 N -1.73 1.65 0.00 4.85 2.47 -0.52 -1.80 114.94 119.85 2w2k s ASN 254 Ca 0.02 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.16 2w2k s ASN 254 Cb -0.10 -0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.16 2w2k s ASN 254 CO 0.03 -0.15 0.96 0.35 -3.72 0.00 0.00 177.10 174.57 2w2k n THR 255 N 4.93 0.92 0.00 -5.21 -2.24 -1.20 -2.29 114.28 109.20 2w2k n THR 255 Ca -0.11 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2w2k n THR 255 Cb 0.50 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2w2k n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w2k n ALA 256 N -0.46 0.00 -2.54 6.98 0.00 -1.24 -4.95 120.51 118.30 2w2k n ALA 256 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2w2k n ALA 256 Cb 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 2w2k n ALA 256 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2w2k s ARG 257 N 0.30 1.03 0.14 0.00 1.81 -1.26 -4.96 118.95 116.01 2w2k s ARG 257 Ca 0.00 -1.20 -0.22 0.00 -1.72 0.00 0.00 55.73 52.59 2w2k s ARG 257 Cb 0.00 -1.02 0.01 0.00 -0.45 0.00 0.00 34.95 33.49 2w2k s ARG 257 CO 0.00 0.21 1.65 0.78 -0.68 0.00 0.00 175.30 177.26 2w2k h GLY 258 N 3.71 -0.10 1.10 -3.53 0.00 -1.79 -2.61 103.07 99.87 2w2k h GLY 258 Ca -0.41 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2w2k h GLY 258 CO 0.47 -0.18 0.00 -1.05 0.00 0.00 0.00 176.54 175.78 2w2k n PRO 259 N -5.34 0.40 0.17 4.80 -0.02 -1.26 -2.91 135.00 130.84 2w2k n PRO 259 Ca -0.02 0.03 0.05 0.00 -2.02 0.00 0.00 63.50 61.54 2w2k n PRO 259 Cb 0.25 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.71 2w2k n PRO 259 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2w2k h VAL 260 N 0.00 1.12 -3.30 -1.45 2.07 -1.67 -1.07 116.25 111.95 2w2k h VAL 260 Ca 0.00 -0.54 -0.64 0.00 0.82 0.00 0.00 66.70 66.35 2w2k h VAL 260 Cb 0.02 1.16 -0.21 0.00 -1.52 0.00 0.00 31.29 30.74 2w2k h VAL 260 CO 0.00 0.16 -0.66 -0.63 0.02 0.00 0.00 177.57 176.46 2w2k s ILE 261 N -4.82 3.94 -0.20 4.57 1.01 -1.15 -1.75 121.20 122.80 2w2k s ILE 261 Ca -0.05 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2w2k s ILE 261 Cb 0.16 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2w2k s ILE 261 CO 0.71 0.49 1.65 -0.55 0.00 0.00 0.00 174.94 177.24 2w2k s SER 262 N 0.36 6.37 0.18 3.58 0.15 -0.83 -4.83 113.70 118.69 2w2k s SER 262 Ca -0.04 1.70 -0.13 0.00 0.70 0.00 0.00 55.95 58.18 2w2k s SER 262 Cb -0.14 -2.53 0.17 0.00 -1.71 0.00 0.00 66.02 61.81 2w2k s SER 262 CO 0.03 -1.25 1.74 -0.61 1.20 0.00 0.00 173.24 174.35 2w2k h GLN 263 N 10.78 0.30 -0.64 5.44 4.15 -1.92 -1.54 115.11 131.68 2w2k h GLN 263 Ca -0.35 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.04 2w2k h GLN 263 Cb 1.16 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 2w2k h GLN 263 CO 0.99 0.20 0.34 -0.44 -1.93 0.00 0.00 178.83 177.99 2w2k h ASP 264 N 0.31 0.81 -0.80 -0.69 3.32 -2.00 -1.38 116.42 116.00 2w2k h ASP 264 Ca 0.24 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2w2k h ASP 264 Cb 0.27 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2w2k h ASP 264 CO -0.26 0.69 0.32 0.00 -1.72 0.00 0.00 179.24 178.27 2w2k h ALA 265 N 1.16 1.06 -0.11 3.45 0.00 -1.89 -2.28 119.26 120.65 2w2k h ALA 265 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2w2k h ALA 265 Cb 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2w2k h ALA 265 CO -0.03 0.67 0.04 1.25 0.00 0.00 0.00 179.25 181.18 2w2k h LEU 266 N 1.16 0.15 -0.53 0.00 5.85 -0.96 -2.09 115.31 118.90 2w2k h LEU 266 Ca 0.27 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2w2k h LEU 266 Cb 0.21 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2w2k h LEU 266 CO -0.02 0.27 0.11 0.40 -0.34 0.00 0.00 178.44 178.86 2w2k h ILE 267 N 0.02 0.70 -0.64 4.05 2.04 -1.17 -1.87 117.51 120.63 2w2k h ILE 267 Ca 0.04 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2w2k h ILE 267 Cb 0.17 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2w2k h ILE 267 CO -0.00 0.04 0.23 0.00 0.00 0.00 0.00 178.15 178.42 2w2k h ALA 268 N 1.41 0.84 -0.13 1.87 0.00 -1.27 -0.82 119.26 121.16 2w2k h ALA 268 Ca 0.27 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2w2k h ALA 268 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2w2k h ALA 268 CO -0.35 0.48 -0.38 0.00 0.00 0.00 0.00 179.25 179.01 2w2k h ALA 269 N 1.09 1.13 -0.08 0.00 0.00 -1.04 -1.87 119.26 118.48 2w2k h ALA 269 Ca 0.21 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2w2k h ALA 269 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2w2k h ALA 269 CO -0.01 0.57 -0.20 -0.07 0.00 0.00 0.00 179.25 179.54 2w2k h LEU 270 N 0.23 0.32 -1.12 0.00 3.38 -1.18 -1.87 115.31 115.07 2w2k h LEU 270 Ca 0.02 -0.59 0.16 0.00 0.09 0.00 0.00 57.88 57.56 2w2k h LEU 270 Cb 0.77 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 2w2k h LEU 270 CO 0.06 0.85 0.61 0.11 0.09 0.00 0.00 178.44 180.16 2w2k h LYS 271 N -0.19 0.77 0.00 1.13 1.57 -0.99 -2.32 116.57 116.55 2w2k h LYS 271 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2w2k h LYS 271 Cb 0.81 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2w2k h LYS 271 CO 0.04 0.51 0.00 -1.13 -0.57 0.00 0.00 179.45 178.31 2w2k n SER 272 N -4.64 0.70 0.00 0.86 3.41 -0.72 -4.94 113.62 108.29 2w2k n SER 272 Ca 0.20 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2w2k n SER 272 Cb 0.49 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2w2k n SER 272 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2w2k n GLY 273 N 1.28 0.79 0.15 5.00 0.00 -0.87 -4.95 105.19 106.60 2w2k n GLY 273 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2w2k n GLY 273 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2w2k h LYS 274 N 3.63 0.35 -5.49 1.61 1.63 -1.62 -3.30 116.57 113.38 2w2k h LYS 274 Ca 0.00 -0.02 -0.62 0.00 -0.85 0.00 0.00 60.65 59.15 2w2k h LYS 274 Cb 0.00 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.46 2w2k h LYS 274 CO 0.00 0.23 -0.44 -0.51 -3.45 0.00 0.00 179.45 175.28 2w2k s LEU 275 N -10.24 4.30 0.05 5.20 1.43 -0.84 -0.82 118.68 117.75 2w2k s LEU 275 Ca -0.13 0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 2w2k s LEU 275 Cb 0.11 -2.16 -0.18 0.00 0.03 0.00 0.00 46.19 43.99 2w2k s LEU 275 CO 0.71 0.26 1.24 0.25 0.23 0.00 0.00 176.35 179.04 2w2k h LEU 276 N 5.93 0.62 -7.16 1.79 5.85 -1.14 -3.42 115.31 117.78 2w2k h LEU 276 Ca -0.47 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 57.57 2w2k h LEU 276 Cb 1.19 -0.18 -0.14 0.00 0.37 0.00 0.00 40.66 41.89 2w2k h LEU 276 CO 0.68 1.15 0.09 -0.94 -0.34 0.00 0.00 178.44 179.08 2w2k s SER 277 N -6.67 -0.45 0.03 1.25 1.04 -1.24 -4.77 113.70 102.89 2w2k s SER 277 Ca -0.13 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.19 2w2k s SER 277 Cb 0.06 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.72 2w2k s SER 277 CO 0.83 -0.84 0.28 0.00 0.98 0.00 0.00 173.24 174.48 2w2k s ALA 278 N -3.20 -0.63 -0.09 5.32 0.00 -1.08 -3.03 121.76 119.05 2w2k s ALA 278 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2w2k s ALA 278 Cb -0.00 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.41 2w2k s ALA 278 CO -0.08 -0.37 -0.02 0.20 0.00 0.00 0.00 175.76 175.49 2w2k s GLY 279 N -1.92 0.59 -0.18 0.00 0.00 -0.10 -0.89 107.32 104.82 2w2k s GLY 279 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.40 2w2k s GLY 279 CO -0.02 1.03 -0.16 1.08 0.00 0.00 0.00 173.10 175.03 2w2k s LEU 280 N 1.89 2.13 0.23 0.66 1.43 -0.11 -1.44 118.68 123.46 2w2k s LEU 280 Ca 0.05 -0.70 0.23 0.00 -1.03 0.00 0.00 54.13 52.67 2w2k s LEU 280 Cb -0.12 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.81 2w2k s LEU 280 CO -0.06 -0.06 1.13 -0.78 0.23 0.00 0.00 176.35 176.81 2w2k h ASP 281 N 7.97 0.00 -4.31 2.29 3.58 -1.70 -2.23 116.42 122.01 2w2k h ASP 281 Ca -0.38 -0.01 -0.48 0.00 0.42 0.00 0.00 57.03 56.58 2w2k h ASP 281 Cb 1.12 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.93 2w2k h ASP 281 CO 0.56 0.01 -0.80 0.68 -2.88 0.00 0.00 179.24 176.81 2w2k s VAL 282 N -3.33 1.25 -0.02 2.25 -7.23 -1.25 -1.48 120.40 110.58 2w2k s VAL 282 Ca 0.01 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2w2k s VAL 282 Cb 0.09 -1.12 -0.00 0.00 0.56 0.00 0.00 36.38 35.91 2w2k s VAL 282 CO 0.77 0.04 -0.09 -1.00 -0.31 0.00 0.00 175.10 174.51 2w2k s HIS 283 N -0.86 0.88 0.23 2.82 3.76 -1.26 -4.48 115.29 116.37 2w2k s HIS 283 Ca 0.03 -0.19 -0.06 0.00 -0.15 0.00 0.00 55.06 54.69 2w2k s HIS 283 Cb -0.08 -0.60 0.34 0.00 1.11 0.00 0.00 32.58 33.35 2w2k s HIS 283 CO 0.01 -0.05 1.81 1.49 -0.85 0.00 0.00 174.74 177.15 2w2k h GLU 284 N 6.14 0.73 -0.56 1.40 4.81 -1.88 -2.65 114.58 122.57 2w2k h GLU 284 Ca -0.32 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.58 2w2k h GLU 284 Cb 1.17 -0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.22 2w2k h GLU 284 CO 0.49 0.49 0.16 1.19 -0.73 0.00 0.00 179.01 180.61 2w2k n PHE 285 N -4.76 1.74 -1.52 0.92 3.72 -1.26 -4.48 117.46 111.83 2w2k n PHE 285 Ca 0.12 -1.65 -0.56 0.00 -0.05 0.00 0.00 57.45 55.31 2w2k n PHE 285 Cb 0.23 -0.64 -0.07 0.00 -0.94 0.00 0.00 39.48 38.07 2w2k n PHE 285 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2w2k n GLU 286 N -1.09 0.34 -0.26 -1.08 2.13 -1.00 -1.40 120.64 118.29 2w2k n GLU 286 Ca 0.42 0.12 0.04 0.00 0.66 0.00 0.00 57.16 58.40 2w2k n GLU 286 Cb 1.24 -1.60 0.15 0.00 0.27 0.00 0.00 31.44 31.50 2w2k n GLU 286 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2w2k n PRO 287 N 1.69 2.16 -3.18 5.31 -0.04 -1.26 -5.08 135.00 134.60 2w2k n PRO 287 Ca 0.19 -1.20 -0.40 0.00 -0.04 0.00 0.00 63.50 62.04 2w2k n PRO 287 Cb 0.13 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 2w2k n PRO 287 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2w2k s ASN 288 N -0.66 6.46 0.27 3.54 3.84 -0.49 -5.06 114.94 122.83 2w2k s ASN 288 Ca 0.22 0.46 -0.24 0.00 0.21 0.00 0.00 52.86 53.50 2w2k s ASN 288 Cb 0.14 -2.30 -0.09 0.00 -0.55 0.00 0.00 41.25 38.45 2w2k s ASN 288 CO 0.10 -0.37 0.86 -0.69 -2.79 0.00 0.00 177.10 174.21 2w2k s VAL 289 N 2.43 4.33 -0.04 -5.21 1.01 -1.26 -4.34 120.40 117.32 2w2k s VAL 289 Ca 0.23 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.57 2w2k s VAL 289 Cb -0.15 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 2w2k s VAL 289 CO 0.10 0.23 2.04 -0.24 0.00 0.00 0.00 175.10 177.23 2w2k n SER 290 N 0.79 3.87 0.03 3.32 2.88 -1.26 -4.90 113.62 118.35 2w2k n SER 290 Ca -0.00 0.72 0.01 0.00 -1.33 0.00 0.00 58.87 58.26 2w2k n SER 290 Cb 0.50 -1.52 0.32 0.00 -0.75 0.00 0.00 64.21 62.76 2w2k n SER 290 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2w2k h LYS 291 N 11.68 0.45 -0.77 -1.46 1.57 -2.00 -1.94 116.57 124.10 2w2k h LYS 291 Ca -0.47 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.17 2w2k h LYS 291 Cb 1.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 2w2k h LYS 291 CO 0.95 0.51 0.34 0.93 -0.57 0.00 0.00 179.45 181.60 2w2k h GLU 292 N 0.43 1.13 -0.23 3.15 5.08 -2.00 -2.37 114.58 119.78 2w2k h GLU 292 Ca 0.09 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 2w2k h GLU 292 Cb 0.34 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2w2k h GLU 292 CO 0.01 0.90 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.44 2w2k h LEU 293 N 1.10 0.58 -0.84 1.33 3.38 -1.89 -3.15 115.31 115.83 2w2k h LEU 293 Ca 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2w2k h LEU 293 Cb 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2w2k h LEU 293 CO -0.03 0.93 0.52 0.40 0.09 0.00 0.00 178.44 180.34 2w2k h ILE 294 N 0.44 1.23 0.00 1.22 2.04 -1.14 -2.95 117.51 118.35 2w2k h ILE 294 Ca 0.04 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2w2k h ILE 294 Cb 0.92 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2w2k h ILE 294 CO 0.08 0.24 0.00 -0.62 0.00 0.00 0.00 178.15 177.85 2w2k n GLU 295 N -4.45 0.63 -2.88 2.37 1.02 -0.91 -4.83 120.64 111.59 2w2k n GLU 295 Ca 0.09 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 2w2k n GLU 295 Cb 0.05 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2w2k n GLU 295 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2w2k s MET 296 N -2.00 2.84 -0.01 3.49 -1.94 -1.12 -5.05 119.30 115.51 2w2k s MET 296 Ca 0.27 -0.70 -0.23 0.00 -1.71 0.00 0.00 55.69 53.32 2w2k s MET 296 Cb 0.12 -2.56 -0.19 0.00 2.01 0.00 0.00 34.83 34.21 2w2k s MET 296 CO 0.21 -0.43 1.21 0.87 -0.01 0.00 0.00 175.02 176.87 2w2k h LYS 297 N 0.31 0.21 -0.47 2.03 1.57 -1.88 -3.41 116.57 114.94 2w2k h LYS 297 Ca -0.44 -0.14 -0.34 0.00 -1.87 0.00 0.00 60.65 57.86 2w2k h LYS 297 Cb 1.27 0.02 -0.25 0.00 0.08 0.00 0.00 32.23 33.35 2w2k h LYS 297 CO 0.54 0.75 -0.59 0.72 -0.57 0.00 0.00 179.45 180.30 2w2k n HIS 298 N -4.60 1.69 -3.80 -1.35 8.25 -1.26 -4.27 115.22 109.87 2w2k n HIS 298 Ca -0.08 -1.96 -0.36 0.00 -0.26 0.00 0.00 57.72 55.06 2w2k n HIS 298 Cb 0.39 -0.36 -0.13 0.00 1.12 0.00 0.00 29.99 31.01 2w2k n HIS 298 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2w2k s VAL 299 N -4.03 3.89 -0.16 1.59 1.01 -1.26 -2.65 120.40 118.79 2w2k s VAL 299 Ca 0.47 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 2w2k s VAL 299 Cb 0.40 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2w2k s VAL 299 CO -0.00 0.23 0.74 -0.89 0.00 0.00 0.00 175.10 175.17 2w2k s THR 300 N 1.52 4.96 -0.09 3.92 2.01 -0.07 -4.96 115.64 122.92 2w2k s THR 300 Ca 0.04 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.49 2w2k s THR 300 Cb -0.16 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.32 2w2k s THR 300 CO 0.01 0.10 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.20 2w2k s LEU 301 N 1.78 1.30 0.22 4.42 1.43 -1.26 -0.93 118.68 125.64 2w2k s LEU 301 Ca 0.35 -0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.27 2w2k s LEU 301 Cb -0.17 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 2w2k s LEU 301 CO 0.13 -0.08 -0.18 0.42 0.23 0.00 0.00 176.35 176.87 2w2k s THR 302 N 1.38 2.10 -1.07 5.49 -4.23 -0.84 -5.03 115.64 113.44 2w2k s THR 302 Ca -0.01 -2.20 -0.07 0.00 -1.18 0.00 0.00 61.69 58.22 2w2k s THR 302 Cb -0.14 -2.10 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 2w2k s THR 302 CO -0.04 -0.41 2.93 0.35 -0.54 0.00 0.00 174.62 176.90 2w2k n THR 303 N -0.25 4.18 -3.96 3.99 -2.24 -1.26 -4.58 114.28 110.15 2w2k n THR 303 Ca -0.08 -2.87 -0.26 0.00 -2.27 0.00 0.00 64.05 58.56 2w2k n THR 303 Cb 0.59 -2.22 -0.02 0.00 -2.10 0.00 0.00 70.33 66.58 2w2k n THR 303 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2w2k n HIS 304 N 2.53 -1.63 1.27 4.78 -0.00 -0.55 -4.90 115.22 116.72 2w2k n HIS 304 Ca 0.64 0.73 0.12 0.00 0.46 0.00 0.00 57.72 59.66 2w2k n HIS 304 Cb 0.42 -3.69 0.41 0.00 -0.12 0.00 0.00 29.99 27.01 2w2k n HIS 304 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2w2k n ILE 305 N -4.41 0.14 -0.37 3.57 -5.35 -1.26 -4.69 119.36 107.00 2w2k n ILE 305 Ca -0.31 -0.34 -0.07 0.00 -0.27 0.00 0.00 62.75 61.76 2w2k n ILE 305 Cb 0.68 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 39.03 2w2k n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2w2k n GLY 306 N 1.18 -2.19 0.71 3.28 0.00 -1.26 -0.88 105.19 106.03 2w2k n GLY 306 Ca 0.17 1.05 0.10 0.00 0.00 0.00 0.00 46.02 47.35 2w2k n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w2k n GLY 307 N -1.28 0.67 3.51 -0.02 0.00 -1.26 -2.34 105.19 104.47 2w2k n GLY 307 Ca 0.04 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2w2k n GLY 307 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w2k s VAL 308 N -1.70 4.18 -0.18 1.61 1.01 -0.06 -4.74 120.40 120.52 2w2k s VAL 308 Ca 0.33 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2w2k s VAL 308 Cb 0.18 -4.91 0.05 0.00 0.00 0.00 0.00 36.38 31.70 2w2k s VAL 308 CO 0.27 -1.74 0.53 0.00 0.00 0.00 0.00 175.10 174.15 2w2k s ALA 309 N 4.30 -1.31 0.38 5.51 0.00 -1.26 -5.05 121.76 124.33 2w2k s ALA 309 Ca 0.38 1.42 0.11 0.00 0.00 0.00 0.00 51.96 53.87 2w2k s ALA 309 Cb -0.05 -0.77 0.90 0.00 0.00 0.00 0.00 23.12 23.20 2w2k s ALA 309 CO -0.04 -0.26 1.88 0.82 0.00 0.00 0.00 175.76 178.16 2w2k h ILE 310 N 4.20 0.81 -0.52 0.00 2.04 -2.01 -1.68 117.51 120.35 2w2k h ILE 310 Ca -0.28 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2w2k h ILE 310 Cb 1.17 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2w2k h ILE 310 CO 0.20 0.11 0.21 -0.33 0.00 0.00 0.00 178.15 178.33 2w2k h GLU 311 N 0.60 0.75 -0.38 2.37 3.07 -1.97 -1.31 114.58 117.71 2w2k h GLU 311 Ca 0.43 -0.11 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 2w2k h GLU 311 Cb 0.79 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 2w2k h GLU 311 CO -0.18 0.62 0.22 1.15 -1.40 0.00 0.00 179.01 179.41 2w2k h THR 312 N 0.74 1.03 -0.38 1.13 2.02 -1.53 -2.69 112.91 113.23 2w2k h THR 312 Ca 0.18 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 2w2k h THR 312 Cb 0.15 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2w2k h THR 312 CO -0.02 0.08 -0.26 -0.26 0.37 0.00 0.00 175.52 175.43 2w2k h PHE 313 N 0.44 0.89 -0.50 3.16 0.04 -1.23 -0.56 116.94 119.18 2w2k h PHE 313 Ca 0.15 -0.22 0.07 0.00 2.80 0.00 0.00 57.97 60.78 2w2k h PHE 313 Cb 0.02 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 37.90 2w2k h PHE 313 CO -0.08 0.95 0.17 0.45 -0.60 0.00 0.00 178.31 179.21 2w2k h HIS 314 N 0.67 0.30 -0.16 -0.55 3.86 -1.23 -1.97 115.15 116.07 2w2k h HIS 314 Ca 0.08 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 2w2k h HIS 314 Cb 0.78 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2w2k h HIS 314 CO 0.04 0.09 -0.50 1.49 0.86 0.00 0.00 177.93 179.92 2w2k h GLU 315 N 0.35 0.43 -0.16 2.45 4.57 -1.07 -1.13 114.58 120.02 2w2k h GLU 315 Ca 0.24 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2w2k h GLU 315 Cb 0.27 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 2w2k h GLU 315 CO -0.25 0.83 -0.07 0.74 -1.18 0.00 0.00 179.01 179.08 2w2k h PHE 316 N 0.34 -0.15 -0.42 0.92 0.04 -0.88 -0.26 116.94 116.53 2w2k h PHE 316 Ca 0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2w2k h PHE 316 Cb 0.99 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 2w2k h PHE 316 CO 0.03 -0.11 0.22 0.93 -0.60 0.00 0.00 178.31 178.79 2w2k h GLU 317 N -0.04 0.59 -0.29 1.51 5.08 -1.26 -2.09 114.58 118.08 2w2k h GLU 317 Ca 0.08 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2w2k h GLU 317 Cb 0.17 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2w2k h GLU 317 CO -0.19 0.49 0.15 -0.09 -1.00 0.00 0.00 179.01 178.37 2w2k h ARG 318 N 0.54 0.42 -0.18 2.33 2.43 -1.08 -2.74 114.38 116.10 2w2k h ARG 318 Ca 0.15 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2w2k h ARG 318 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2w2k h ARG 318 CO -0.02 0.38 0.01 -0.07 -1.51 0.00 0.00 179.97 178.76 2w2k h LEU 319 N 0.35 0.31 -0.11 3.80 3.38 -1.02 -1.57 115.31 120.43 2w2k h LEU 319 Ca 0.10 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2w2k h LEU 319 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2w2k h LEU 319 CO -0.01 0.53 0.02 0.71 0.09 0.00 0.00 178.44 179.77 2w2k h THR 320 N 0.08 0.95 -0.19 0.22 1.35 -1.42 -0.12 112.91 113.77 2w2k h THR 320 Ca 0.05 -0.02 -0.03 0.00 -0.55 0.00 0.00 66.41 65.87 2w2k h THR 320 Cb 0.36 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 2w2k h THR 320 CO 0.01 0.01 0.02 0.24 -0.25 0.00 0.00 175.52 175.55 2w2k h MET 321 N 0.06 0.33 -0.64 4.72 2.86 -1.51 -3.00 114.93 117.74 2w2k h MET 321 Ca 0.05 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2w2k h MET 321 Cb 0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2w2k h MET 321 CO -0.07 0.50 0.24 1.15 1.06 0.00 0.00 176.91 179.79 2w2k h THR 322 N 0.11 1.24 -0.32 2.22 2.02 -1.23 -2.20 112.91 114.75 2w2k h THR 322 Ca 0.06 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.52 2w2k h THR 322 Cb 0.34 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2w2k h THR 322 CO 0.01 0.30 -0.08 0.78 0.37 0.00 0.00 175.52 176.90 2w2k h ASN 323 N 0.91 -0.29 -0.46 4.18 -0.26 -1.03 -1.00 115.58 117.64 2w2k h ASN 323 Ca 0.21 0.09 -0.13 0.00 -0.56 0.00 0.00 56.30 55.91 2w2k h ASN 323 Cb 0.24 0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2w2k h ASN 323 CO -0.01 -0.10 -0.22 0.40 -1.06 0.00 0.00 177.43 176.44 2w2k h ILE 324 N 0.00 1.27 0.39 2.81 2.04 -1.40 -1.84 117.51 120.78 2w2k h ILE 324 Ca 0.15 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 2w2k h ILE 324 Cb 0.23 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2w2k h ILE 324 CO -0.32 0.48 -0.19 -0.78 0.00 0.00 0.00 178.15 177.34 2w2k h ASP 325 N 0.84 -0.44 -0.35 1.72 1.82 -1.26 -0.86 116.42 117.88 2w2k h ASP 325 Ca 0.11 -0.01 0.08 0.00 -0.39 0.00 0.00 57.03 56.81 2w2k h ASP 325 Cb 0.79 0.11 -0.09 0.00 0.68 0.00 0.00 39.33 40.83 2w2k h ASP 325 CO 0.07 -0.28 -0.30 0.03 -1.61 0.00 0.00 179.24 177.15 2w2k h ARG 326 N -0.56 -0.24 -0.03 0.28 3.08 -1.18 -0.92 114.38 114.80 2w2k h ARG 326 Ca -0.05 0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 2w2k h ARG 326 Cb 0.43 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2w2k h ARG 326 CO 0.09 -0.16 -0.78 0.35 -1.07 0.00 0.00 179.97 178.40 2w2k h PHE 327 N -0.25 0.36 0.00 3.04 3.57 -1.22 -2.46 116.94 119.98 2w2k h PHE 327 Ca 0.17 -0.17 -0.31 0.00 3.53 0.00 0.00 57.97 61.19 2w2k h PHE 327 Cb 0.52 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 2w2k h PHE 327 CO -0.49 0.93 -2.06 1.28 -2.23 0.00 0.00 178.31 175.74 2w2k n LEU 328 N -3.76 0.36 -0.03 0.59 4.77 -0.34 -3.46 117.00 115.14 2w2k n LEU 328 Ca -0.04 0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 2w2k n LEU 328 Cb 0.74 0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 42.10 2w2k n LEU 328 CO 0.47 0.40 -0.71 0.18 -1.33 0.00 0.00 177.39 176.41 2w2k n LEU 329 N -2.83 0.06 -0.23 2.23 4.77 -0.37 -4.80 117.00 115.83 2w2k n LEU 329 Ca -0.24 -0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.84 2w2k n LEU 329 Cb 1.06 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 42.24 2w2k n LEU 329 CO 0.44 0.17 0.12 0.00 -1.33 0.00 0.00 177.39 176.79 2w2k n GLN 330 N -2.24 0.97 -2.02 3.23 6.02 -0.99 -4.98 117.38 117.36 2w2k n GLN 330 Ca -0.10 -0.48 -0.17 0.00 -0.01 0.00 0.00 57.00 56.24 2w2k n GLN 330 Cb 0.71 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.52 2w2k n GLN 330 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2w2k n GLY 331 N 1.40 0.39 3.61 1.08 0.00 -1.08 -5.02 105.19 105.57 2w2k n GLY 331 Ca 0.06 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2w2k n GLY 331 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w2k s LYS 332 N -4.34 2.46 0.70 1.61 1.02 -0.96 -4.85 119.74 115.38 2w2k s LYS 332 Ca 0.00 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.03 2w2k s LYS 332 Cb 0.00 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 2w2k s LYS 332 CO 0.00 0.57 1.16 -1.25 -0.92 0.00 0.00 175.35 174.90 2w2k s PRO 333 N -1.79 2.42 0.54 -1.68 0.04 -1.26 -3.46 135.00 129.80 2w2k s PRO 333 Ca 0.20 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 2w2k s PRO 333 Cb -0.11 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2w2k s PRO 333 CO 0.11 -1.58 1.38 -0.51 0.04 0.00 0.00 177.00 176.45 2w2k s LEU 334 N -5.07 3.88 0.12 -3.56 1.43 -1.26 -4.81 118.68 109.40 2w2k s LEU 334 Ca 0.70 2.82 -0.03 0.00 -1.03 0.00 0.00 54.13 56.59 2w2k s LEU 334 Cb -0.24 -4.23 -0.15 0.00 0.03 0.00 0.00 46.19 41.60 2w2k s LEU 334 CO 0.44 -1.55 1.26 -0.07 0.23 0.00 0.00 176.35 176.65 2w2k h LEU 335 N 1.55 0.45 -5.76 1.79 3.38 -1.95 -3.40 115.31 111.37 2w2k h LEU 335 Ca -0.51 -0.40 -0.52 0.00 0.09 0.00 0.00 57.88 56.54 2w2k h LEU 335 Cb 1.30 -0.14 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 2w2k h LEU 335 CO 0.58 1.24 -1.01 0.35 0.09 0.00 0.00 178.44 179.69 2w2k n THR 336 N -3.65 0.94 -2.09 0.22 -2.24 -1.26 -5.10 114.28 101.10 2w2k n THR 336 Ca -0.07 -4.93 -0.35 0.00 -2.27 0.00 0.00 64.05 56.43 2w2k n THR 336 Cb 0.90 -0.66 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 2w2k n THR 336 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2w2k s PRO 337 N -2.78 3.11 -0.03 -0.78 0.04 -1.26 -2.65 135.00 130.64 2w2k s PRO 337 Ca 0.43 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2w2k s PRO 337 Cb 0.33 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.92 2w2k s PRO 337 CO -0.10 -1.06 -0.04 0.00 0.04 0.00 0.00 177.00 175.83 2w2k s ALA 338 N -1.75 0.56 0.00 8.56 0.00 -0.83 -4.79 121.76 123.50 2w2k s ALA 338 Ca 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2w2k s ALA 338 Cb -0.27 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2w2k s ALA 338 CO 0.31 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2w2k n GLY 339 N 3.70 -0.70 3.77 0.00 0.00 -1.26 -4.33 105.19 106.38 2w2k n GLY 339 Ca -0.22 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 2w2k n GLY 339 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w2k s LYS 340 N 0.00 3.95 -0.12 1.61 -0.14 -1.26 -5.02 119.74 118.76 2w2k s LYS 340 Ca 0.00 2.34 -0.11 0.00 -1.36 0.00 0.00 55.97 56.84 2w2k s LYS 340 Cb 0.00 -2.81 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 2w2k s LYS 340 CO 0.00 -0.57 0.23 0.08 -0.76 0.00 0.00 175.35 174.33 2w2k s VAL 341 N -1.20 5.35 0.17 3.17 1.01 -1.26 -4.59 120.40 123.05 2w2k s VAL 341 Ca 0.56 0.41 0.10 0.00 0.00 0.00 0.00 61.98 63.05 2w2k s VAL 341 Cb -0.42 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2w2k s VAL 341 CO 0.55 0.53 -0.21 -0.36 0.00 0.00 0.00 175.10 175.61 2w2k s PHE 342 N -0.44 2.00 0.18 5.22 0.40 -1.26 -5.13 117.98 118.95 2w2k s PHE 342 Ca 0.16 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 2w2k s PHE 342 Cb -0.13 -1.01 -0.08 0.00 0.51 0.00 0.00 43.02 42.32 2w2k s PHE 342 CO 0.05 0.38 1.14 0.00 0.70 0.00 0.00 175.22 177.49 2w2k s ALA 343 N -1.79 3.40 0.80 5.36 0.00 -1.26 -4.95 121.76 123.32 2w2k s ALA 343 Ca 0.16 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 2w2k s ALA 343 Cb -0.07 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.74 2w2k s ALA 343 CO 0.07 -0.28 1.11 -1.25 0.00 0.00 0.00 175.76 175.41 2w2k s PRO 344 N -0.30 2.02 0.00 0.00 0.04 -1.26 -5.14 135.00 130.35 2w2k s PRO 344 Ca 0.51 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2w2k s PRO 344 Cb -0.31 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2w2k s PRO 344 CO 0.36 -1.84 0.42 0.43 0.04 0.00 0.00 177.00 176.41