#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qea h ASP 3 N 0.00 0.63 -0.47 0.00 3.32 -2.05 -2.13 116.42 115.72 2qea h ASP 3 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 2qea h ASP 3 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2qea h ASP 3 CO 0.00 0.66 -0.13 0.25 -1.72 0.00 0.00 179.24 178.31 2qea h LEU 4 N 0.65 0.96 -0.27 1.55 6.46 -2.04 -0.54 115.31 122.08 2qea h LEU 4 Ca 0.14 -0.32 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 2qea h LEU 4 Cb 0.32 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2qea h LEU 4 CO 0.01 1.08 0.02 0.74 -0.62 0.00 0.00 178.44 179.67 2qea h THR 5 N 0.85 1.24 -0.81 1.05 2.02 -1.96 -1.01 112.91 114.30 2qea h THR 5 Ca 0.13 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 2qea h THR 5 Cb 0.67 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 2qea h THR 5 CO 0.05 0.27 0.36 -0.74 0.37 0.00 0.00 175.52 175.83 2qea h HIS 6 N 0.26 1.19 -0.26 3.16 -0.00 -1.31 -2.58 115.15 115.63 2qea h HIS 6 Ca 0.08 -0.07 -0.10 0.00 -0.00 0.00 0.00 60.37 60.28 2qea h HIS 6 Cb 0.38 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 2qea h HIS 6 CO 0.03 0.88 -0.27 1.49 -0.00 0.00 0.00 177.93 180.05 2qea h GLU 7 N 1.17 0.51 0.43 5.26 4.57 -1.02 -2.08 114.58 123.42 2qea h GLU 7 Ca 0.28 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2qea h GLU 7 Cb 0.16 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2qea h GLU 7 CO -0.03 0.74 -0.21 0.35 -1.18 0.00 0.00 179.01 178.69 2qea h PHE 8 N 0.45 -0.53 -0.61 0.92 3.57 -0.86 -2.08 116.94 117.80 2qea h PHE 8 Ca 0.06 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2qea h PHE 8 Cb 0.71 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 2qea h PHE 8 CO 0.02 -0.33 0.28 -1.49 -2.23 0.00 0.00 178.31 174.56 2qea h TRP 9 N -0.59 0.87 -0.39 0.41 4.06 -1.47 0.10 115.95 118.94 2qea h TRP 9 Ca -0.06 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.82 2qea h TRP 9 Cb 0.45 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 2qea h TRP 9 CO -0.04 0.65 0.09 0.22 -3.56 0.00 0.00 178.44 175.80 2qea h ASP 10 N 0.87 0.59 1.02 -3.49 3.58 -1.30 -3.06 116.42 114.62 2qea h ASP 10 Ca 0.21 -0.23 -0.20 0.00 0.42 0.00 0.00 57.03 57.22 2qea h ASP 10 Cb 0.12 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2qea h ASP 10 CO -0.02 0.67 -0.98 0.03 -2.88 0.00 0.00 179.24 176.05 2qea h ARG 11 N 0.49 0.00 -0.21 0.28 3.08 -1.28 -3.30 114.38 113.44 2qea h ARG 11 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2qea h ARG 11 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2qea h ARG 11 CO 0.00 0.95 0.13 1.25 -1.07 0.00 0.00 179.97 181.23 2qea h LEU 12 N 0.00 0.24 -1.94 3.04 5.85 -0.97 -2.95 115.31 118.58 2qea h LEU 12 Ca -0.02 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2qea h LEU 12 Cb 1.75 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 2qea h LEU 12 CO 0.12 0.19 0.27 -0.08 -0.34 0.00 0.00 178.44 178.61 2qea h GLU 13 N 0.29 0.06 -0.17 1.25 4.81 -1.61 -1.70 114.58 117.51 2qea h GLU 13 Ca 0.08 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2qea h GLU 13 Cb -0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2qea h GLU 13 CO -0.01 0.04 0.00 -0.25 -0.73 0.00 0.00 179.01 178.06 2qea n ASP 14 N -4.44 3.07 -4.64 1.04 8.00 -1.12 -4.86 116.55 113.60 2qea n ASP 14 Ca 0.06 -1.97 -0.43 0.00 0.71 0.00 0.00 54.79 53.16 2qea n ASP 14 Cb 0.42 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2qea n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qea s VAL 15 N -1.80 4.48 0.16 2.53 1.01 -0.64 -4.93 120.40 121.21 2qea s VAL 15 Ca 0.33 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 2qea s VAL 15 Cb 0.21 -4.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 2qea s VAL 15 CO 0.31 -0.42 1.39 0.08 0.00 0.00 0.00 175.10 176.46 2qea h ARG 16 N 8.13 0.35 -4.54 2.72 -0.00 -1.89 -3.41 114.38 115.75 2qea h ARG 16 Ca -0.21 -0.33 -0.22 0.00 -0.00 0.00 0.00 59.98 59.22 2qea h ARG 16 Cb 1.07 0.08 -0.17 0.00 -0.00 0.00 0.00 29.97 30.95 2qea h ARG 16 CO 1.02 0.99 -0.70 -1.12 -0.00 0.00 0.00 179.97 180.16 2qea s SER 17 N -6.99 0.92 0.00 0.08 0.01 -1.26 -4.16 113.70 102.30 2qea s SER 17 Ca -0.05 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2qea s SER 17 Cb 0.10 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2qea s SER 17 CO 0.84 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2qea n GLY 18 N 0.48 3.17 0.00 3.44 0.00 -1.26 -4.74 105.19 106.27 2qea n GLY 18 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2qea n GLY 18 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qea n LEU 20 N 0.00 0.00 -3.60 0.99 7.94 -0.41 -4.28 117.00 117.64 2qea n LEU 20 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 2qea n LEU 20 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2qea n LEU 20 CO 0.00 0.00 1.00 -0.83 -1.11 0.00 0.00 177.39 176.45 2qea s GLY 21 N 0.00 -0.21 -0.02 -3.96 0.00 -0.66 -1.60 107.32 100.87 2qea s GLY 21 Ca 0.00 1.91 -0.20 0.00 0.00 0.00 0.00 44.72 46.43 2qea s GLY 21 CO 0.00 0.72 0.56 -0.42 0.00 0.00 0.00 173.10 173.95 2qea s ILE 22 N -1.96 4.97 0.25 0.90 1.01 -1.26 -0.57 121.20 124.53 2qea s ILE 22 Ca 0.08 1.16 -0.31 0.00 0.00 0.00 0.00 60.65 61.58 2qea s ILE 22 Cb -0.01 -3.89 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 2qea s ILE 22 CO -0.05 0.42 1.58 -0.54 0.00 0.00 0.00 174.94 176.35 2qea s LYS 23 N -0.14 4.17 -0.42 2.79 1.02 -0.62 -2.44 119.74 124.09 2qea s LYS 23 Ca 0.29 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.78 2qea s LYS 23 Cb -0.18 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2qea s LYS 23 CO 0.16 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 2qea n GLY 24 N 2.73 0.65 2.65 -3.33 0.00 -1.26 -4.97 105.19 101.65 2qea n GLY 24 Ca 0.10 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2qea n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qea s GLN 25 N -1.71 0.43 3.24 1.61 -0.21 -1.02 -5.11 119.66 116.88 2qea s GLN 25 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2qea s GLN 25 Cb 0.00 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.34 2qea s GLN 25 CO 0.00 -0.90 0.00 0.41 -2.12 0.00 0.00 175.29 172.68 2qea n GLY 26 N 5.09 0.64 3.74 3.09 0.00 -1.26 -4.41 105.19 112.08 2qea n GLY 26 Ca -0.05 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 2qea n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qea s ARG 27 N 0.00 2.26 0.41 1.61 0.52 -1.26 -5.00 118.95 117.48 2qea s ARG 27 Ca 0.00 -1.78 -0.24 0.00 -0.52 0.00 0.00 55.73 53.18 2qea s ARG 27 Cb 0.00 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.36 2qea s ARG 27 CO 0.00 -0.08 1.11 -0.51 0.02 0.00 0.00 175.30 175.84 2qea s LEU 28 N -3.90 4.15 0.09 2.53 1.43 -1.26 -4.82 118.68 116.90 2qea s LEU 28 Ca 0.41 2.20 0.05 0.00 -1.03 0.00 0.00 54.13 55.76 2qea s LEU 28 Cb 0.02 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 2qea s LEU 28 CO 0.23 -0.63 -0.13 0.27 0.23 0.00 0.00 176.35 176.32 2qea s ILE 29 N -1.54 1.17 0.85 -0.59 -4.36 -0.62 -4.89 121.20 111.22 2qea s ILE 29 Ca 0.58 -1.52 -0.11 0.00 -0.26 0.00 0.00 60.65 59.35 2qea s ILE 29 Cb -0.26 -1.29 0.10 0.00 1.25 0.00 0.00 42.46 42.25 2qea s ILE 29 CO 0.33 -0.35 1.09 -2.16 0.24 0.00 0.00 174.94 174.09 2qea s PRO 30 N -2.26 1.66 -0.31 0.37 0.04 -1.26 -1.29 135.00 131.95 2qea s PRO 30 Ca 0.03 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.08 2qea s PRO 30 Cb -0.07 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.73 2qea s PRO 30 CO 0.02 -2.02 0.10 -1.12 0.04 0.00 0.00 177.00 174.02 2qea s SER 32 N -3.36 4.08 0.27 6.66 0.01 -1.26 -4.92 113.70 115.18 2qea s SER 32 Ca 0.63 -1.69 -0.29 0.00 1.31 0.00 0.00 55.95 55.90 2qea s SER 32 Cb -0.18 -0.92 -0.09 0.00 0.21 0.00 0.00 66.02 65.04 2qea s SER 32 CO 0.57 -0.41 1.11 -2.16 0.41 0.00 0.00 173.24 172.76 2qea s PRO 33 N 1.54 4.62 -0.09 12.44 0.04 -1.26 -4.57 135.00 147.73 2qea s PRO 33 Ca 0.10 1.81 0.03 0.00 0.04 0.00 0.00 61.00 62.98 2qea s PRO 33 Cb -0.17 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.18 2qea s PRO 33 CO -0.24 0.18 -0.18 -0.65 0.04 0.00 0.00 177.00 176.15 2qea s GLN 34 N -1.29 2.42 -0.01 4.56 -1.52 0.73 -4.88 119.66 119.67 2qea s GLN 34 Ca 0.45 -0.66 -0.05 0.00 -1.95 0.00 0.00 55.36 53.16 2qea s GLN 34 Cb -0.32 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.57 2qea s GLN 34 CO 0.41 0.09 0.09 0.95 -0.25 0.00 0.00 175.29 176.58 2qea s THR 35 N 0.54 0.06 0.15 -0.19 -4.23 -1.26 -1.05 115.64 109.66 2qea s THR 35 Ca -0.16 -0.46 -0.19 0.00 -1.18 0.00 0.00 61.69 59.71 2qea s THR 35 Cb -0.17 -0.29 0.07 0.00 1.34 0.00 0.00 72.50 73.44 2qea s THR 35 CO 0.06 -0.25 0.89 0.47 -0.54 0.00 0.00 174.62 175.24 2qea n ASP 36 N 2.10 -1.46 0.00 3.99 9.92 -1.26 -4.91 116.55 124.94 2qea n ASP 36 Ca -0.19 -1.75 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 2qea n ASP 36 Cb 0.57 2.37 0.00 0.00 -0.64 0.00 0.00 41.12 43.42 2qea n ASP 36 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2qea n ASP 37 N -1.18 0.00 -4.45 -2.24 3.85 -1.26 -4.87 116.55 106.40 2qea n ASP 37 Ca -0.02 0.00 -0.21 0.00 -0.71 0.00 0.00 54.79 53.85 2qea n ASP 37 Cb 0.50 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.28 2qea n ASP 37 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 2qea n PRO 40 N 0.00 0.77 0.00 0.11 -0.04 -1.26 -5.27 135.00 129.30 2qea n PRO 40 Ca 0.00 -2.89 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 2qea n PRO 40 Cb 0.00 0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 2qea n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qea n GLY 41 N -0.76 2.53 3.15 0.55 0.00 -1.26 -5.14 105.19 104.26 2qea n GLY 41 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 2qea n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qea s ALA 42 N 0.00 0.88 -0.18 4.61 0.00 -1.26 -4.30 121.76 121.51 2qea s ALA 42 Ca 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 2qea s ALA 42 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2qea s ALA 42 CO 0.00 -0.27 0.02 0.42 0.00 0.00 0.00 175.76 175.93 2qea s ILE 43 N -3.69 4.31 -0.03 0.00 1.01 0.86 -4.78 121.20 118.88 2qea s ILE 43 Ca 0.11 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2qea s ILE 43 Cb 0.06 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2qea s ILE 43 CO -0.06 0.46 -0.09 0.26 0.00 0.00 0.00 174.94 175.52 2qea s TRP 44 N 0.50 2.84 0.01 3.97 0.52 -0.22 -0.03 118.94 126.53 2qea s TRP 44 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.08 2qea s TRP 44 Cb -0.13 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 2qea s TRP 44 CO 0.02 0.32 -0.06 -0.06 0.02 0.00 0.00 176.95 177.18 2qea s PHE 45 N -0.88 0.56 -0.19 -1.98 0.08 -0.54 -0.19 117.98 114.83 2qea s PHE 45 Ca 0.14 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 2qea s PHE 45 Cb -0.11 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 41.96 2qea s PHE 45 CO 0.04 -0.04 0.02 0.42 -0.10 0.00 0.00 175.22 175.57 2qea s ILE 46 N -0.59 4.26 0.27 0.64 1.01 -1.26 -0.62 121.20 124.90 2qea s ILE 46 Ca -0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 2qea s ILE 46 Cb -0.05 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 2qea s ILE 46 CO 0.00 0.44 0.47 0.28 0.00 0.00 0.00 174.94 176.12 2qea s THR 47 N 0.76 0.00 0.31 2.92 -1.32 -0.46 -4.91 115.64 112.95 2qea s THR 47 Ca 0.01 -1.47 -0.21 0.00 -1.21 0.00 0.00 61.69 58.81 2qea s THR 47 Cb -0.14 -2.35 -0.09 0.00 -1.51 0.00 0.00 72.50 68.41 2qea s THR 47 CO 0.02 0.00 0.83 0.00 -2.21 0.00 0.00 174.62 173.27 2qea s ALA 48 N -3.75 3.26 0.34 11.08 0.00 -1.26 -0.22 121.76 131.22 2qea s ALA 48 Ca 0.25 0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.59 2qea s ALA 48 Cb -0.00 -2.98 0.63 0.00 0.00 0.00 0.00 23.12 20.77 2qea s ALA 48 CO 0.12 0.25 1.81 0.87 0.00 0.00 0.00 175.76 178.80 2qea h LYS 49 N 2.81 0.20 0.00 0.00 1.57 -0.96 -3.09 116.57 117.09 2qea h LYS 49 Ca -0.48 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2qea h LYS 49 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2qea h LYS 49 CO 0.64 0.48 0.00 0.41 -0.57 0.00 0.00 179.45 180.41 2qea n GLY 50 N -0.51 -1.11 3.79 3.86 0.00 -1.26 -3.96 105.19 106.00 2qea n GLY 50 Ca -0.01 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2qea n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qea s THR 51 N -2.97 3.32 0.23 2.61 -4.23 -1.17 -4.90 115.64 108.53 2qea s THR 51 Ca 0.09 0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 60.98 2qea s THR 51 Cb 0.12 -3.08 0.09 0.00 1.34 0.00 0.00 72.50 70.97 2qea s THR 51 CO 0.33 -0.56 1.71 0.44 -0.54 0.00 0.00 174.62 176.00 2qea h ASP 52 N -1.07 0.87 -0.66 3.99 3.32 -1.90 -2.14 116.42 118.84 2qea h ASP 52 Ca -0.46 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.29 2qea h ASP 52 Cb 1.25 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2qea h ASP 52 CO 0.56 0.94 0.14 -0.07 -1.72 0.00 0.00 179.24 179.10 2qea h LEU 53 N 0.83 1.02 -0.15 1.55 3.38 -1.94 0.67 115.31 120.67 2qea h LEU 53 Ca 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2qea h LEU 53 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qea h LEU 53 CO 0.03 1.00 -0.01 0.00 0.09 0.00 0.00 178.44 179.55 2qea h ALA 54 N 1.06 0.20 -0.33 1.53 0.00 -1.77 -2.88 119.26 117.06 2qea h ALA 54 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2qea h ALA 54 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qea h ALA 54 CO 0.01 -0.09 -0.15 0.87 0.00 0.00 0.00 179.25 179.89 2qea h LYS 55 N -0.01 0.59 -0.08 0.00 1.57 -1.38 -2.96 116.57 114.31 2qea h LYS 55 Ca 0.04 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2qea h LYS 55 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2qea h LYS 55 CO 0.01 0.72 -0.11 0.78 -0.57 0.00 0.00 179.45 180.28 2qea h GLY 56 N 0.97 0.12 -2.31 3.86 0.00 -0.81 -2.96 103.07 101.94 2qea h GLY 56 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2qea h GLY 56 CO 0.04 0.06 0.00 3.33 0.00 0.00 0.00 176.54 179.97 2qea n VAL 57 N -4.34 2.05 -0.10 4.60 0.24 -1.09 -4.64 118.33 115.03 2qea n VAL 57 Ca -0.02 -1.46 -0.13 0.00 -2.04 0.00 0.00 64.34 60.69 2qea n VAL 57 Cb 0.22 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.53 2qea n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qea h ALA 58 N 2.88 0.46 -0.46 2.33 0.00 -1.35 -3.24 119.26 119.88 2qea h ALA 58 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2qea h ALA 58 Cb 1.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2qea h ALA 58 CO 0.24 0.46 -0.22 0.00 0.00 0.00 0.00 179.25 179.72 2qea h ALA 59 N 0.73 0.65 0.00 0.00 0.00 -1.82 -3.49 119.26 115.33 2qea h ALA 59 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2qea h ALA 59 Cb 0.83 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qea h ALA 59 CO 0.07 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.37 2qea n GLY 60 N -0.08 -1.40 3.71 0.00 0.00 -1.22 -5.14 105.19 101.06 2qea n GLY 60 Ca -0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2qea n GLY 60 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qea s PRO 61 N -1.25 4.21 0.06 1.61 0.02 -1.26 -4.54 135.00 133.85 2qea s PRO 61 Ca 0.00 2.36 0.07 0.00 0.02 0.00 0.00 61.00 63.45 2qea s PRO 61 Cb 0.00 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2qea s PRO 61 CO 0.00 -0.65 -0.16 -0.65 -0.33 0.00 0.00 177.00 175.22 2qea s GLN 62 N 1.60 2.06 0.21 5.54 -1.52 -0.25 -4.96 119.66 122.35 2qea s GLN 62 Ca 0.71 -1.01 -0.31 0.00 -1.95 0.00 0.00 55.36 52.81 2qea s GLN 62 Cb -0.43 -2.22 -0.10 0.00 -0.22 0.00 0.00 33.01 30.04 2qea s GLN 62 CO 0.32 0.53 1.48 -2.14 -0.25 0.00 0.00 175.29 175.22 2qea s PRO 63 N -1.72 4.25 0.18 2.91 0.02 -1.26 -0.98 135.00 138.40 2qea s PRO 63 Ca 0.17 2.31 -0.00 0.00 0.02 0.00 0.00 61.00 63.50 2qea s PRO 63 Cb -0.11 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2qea s PRO 63 CO 0.08 -0.49 0.08 0.00 -0.33 0.00 0.00 177.00 176.34 2qea s ALA 64 N 0.45 1.19 0.01 -1.55 0.00 -0.04 -1.59 121.76 120.23 2qea s ALA 64 Ca 0.63 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 51.03 2qea s ALA 64 Cb -0.42 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 2qea s ALA 64 CO 0.38 -0.49 -0.23 -1.14 0.00 0.00 0.00 175.76 174.28 2qea s GLN 65 N -4.06 1.77 -0.05 0.00 0.74 0.26 -0.93 119.66 117.39 2qea s GLN 65 Ca 0.32 -0.90 -0.01 0.00 0.05 0.00 0.00 55.36 54.81 2qea s GLN 65 Cb 0.07 -1.79 0.03 0.00 1.10 0.00 0.00 33.01 32.42 2qea s GLN 65 CO 0.08 0.48 0.02 0.12 -0.55 0.00 0.00 175.29 175.43 2qea s PHE 66 N -0.64 0.36 -0.10 1.67 5.36 -0.55 -1.65 117.98 122.43 2qea s PHE 66 Ca 0.09 0.02 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 2qea s PHE 66 Cb -0.09 -0.58 -0.01 0.00 -0.34 0.00 0.00 43.02 42.00 2qea s PHE 66 CO 0.00 -0.22 -0.17 0.08 -1.46 0.00 0.00 175.22 173.45 2qea s VAL 67 N 1.73 2.75 -0.03 3.12 1.01 -1.26 -0.71 120.40 127.01 2qea s VAL 67 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.26 2qea s VAL 67 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2qea s VAL 67 CO -0.03 0.55 -0.25 -0.69 0.00 0.00 0.00 175.10 174.68 2qea s VAL 68 N 0.08 1.96 -0.43 2.92 1.01 0.83 -4.60 120.40 122.18 2qea s VAL 68 Ca -0.07 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 60.91 2qea s VAL 68 Cb -0.15 -1.64 0.17 0.00 0.00 0.00 0.00 36.38 34.76 2qea s VAL 68 CO 0.05 0.55 0.49 -0.55 0.00 0.00 0.00 175.10 175.65 2qea s SER 69 N -0.41 0.20 -0.27 3.32 0.15 -1.25 -0.84 113.70 114.60 2qea s SER 69 Ca 0.04 -1.90 0.01 0.00 0.70 0.00 0.00 55.95 54.80 2qea s SER 69 Cb -0.11 0.85 0.05 0.00 -1.71 0.00 0.00 66.02 65.10 2qea s SER 69 CO 0.01 -0.17 -0.07 -0.62 1.20 0.00 0.00 173.24 173.59 2qea s ASP 70 N 0.99 4.50 0.16 5.45 -1.08 -0.22 -5.00 116.67 121.46 2qea s ASP 70 Ca 0.24 -1.23 -0.07 0.00 -0.52 0.00 0.00 52.55 50.97 2qea s ASP 70 Cb -0.05 -1.62 0.02 0.00 -1.46 0.00 0.00 42.92 39.81 2qea s ASP 70 CO -0.08 -0.19 1.45 0.44 0.52 0.00 0.00 175.17 177.31 2qea h ASP 71 N 7.89 0.76 -0.36 -0.34 3.32 -1.96 0.70 116.42 126.44 2qea h ASP 71 Ca -0.23 -0.42 0.05 0.00 0.02 0.00 0.00 57.03 56.44 2qea h ASP 71 Cb 1.06 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 2qea h ASP 71 CO 0.51 1.17 0.09 1.23 -1.72 0.00 0.00 179.24 180.53 2qea h GLY 72 N 0.91 0.43 1.24 2.75 0.00 -1.97 -2.95 103.07 103.49 2qea h GLY 72 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2qea h GLY 72 CO 0.12 -0.00 -0.91 0.83 0.00 0.00 0.00 176.54 176.57 2qea h GLU 73 N 0.22 0.00 -3.16 4.80 4.39 -1.94 -3.49 114.58 115.41 2qea h GLU 73 Ca 0.17 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.69 2qea h GLU 73 Cb 0.17 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.88 2qea h GLU 73 CO -0.20 0.12 -0.30 0.41 -1.16 0.00 0.00 179.01 177.88 2qea n GLY 74 N 1.23 0.28 3.20 -3.84 0.00 0.16 -4.77 105.19 101.45 2qea n GLY 74 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2qea n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qea s LEU 75 N -3.79 2.33 -0.09 0.99 2.96 -0.70 -1.05 118.68 119.34 2qea s LEU 75 Ca 0.24 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2qea s LEU 75 Cb -0.11 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.08 2qea s LEU 75 CO 0.32 0.04 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.02 2qea s TYR 76 N 1.05 1.25 -0.14 5.38 2.02 -0.50 -1.06 117.35 125.36 2qea s TYR 76 Ca -0.01 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 55.99 2qea s TYR 76 Cb -0.14 -1.08 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2qea s TYR 76 CO -0.05 -0.42 0.40 0.00 -1.57 0.00 0.00 175.55 173.90 2qea s ALA 77 N 1.59 -0.99 -0.29 3.71 0.00 -0.02 -0.26 121.76 125.49 2qea s ALA 77 Ca 0.02 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.06 2qea s ALA 77 Cb -0.13 -0.57 0.07 0.00 0.00 0.00 0.00 23.12 22.49 2qea s ALA 77 CO -0.06 -0.20 -0.05 0.34 0.00 0.00 0.00 175.76 175.79 2qea s ASP 78 N 0.02 4.59 -0.13 0.00 2.15 -0.94 -0.12 116.67 122.25 2qea s ASP 78 Ca -0.02 -1.63 -0.02 0.00 0.43 0.00 0.00 52.55 51.31 2qea s ASP 78 Cb -0.03 -1.59 -0.03 0.00 -0.30 0.00 0.00 42.92 40.97 2qea s ASP 78 CO 0.01 -0.26 -0.04 -0.76 -0.17 0.00 0.00 175.17 173.95 2qea s LEU 79 N 1.05 3.27 -0.11 -1.34 1.43 0.12 -2.10 118.68 120.99 2qea s LEU 79 Ca -0.02 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 2qea s LEU 79 Cb -0.20 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2qea s LEU 79 CO -0.06 0.24 0.17 -1.81 0.23 0.00 0.00 176.35 175.13 2qea s ASP 80 N -0.07 6.43 0.00 2.29 1.01 0.12 -1.48 116.67 124.97 2qea s ASP 80 Ca 0.02 0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.80 2qea s ASP 80 Cb -0.13 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.71 2qea s ASP 80 CO 0.03 0.39 0.00 0.61 0.21 0.00 0.00 175.17 176.41 2qea n GLY 81 N 2.03 2.32 2.94 0.21 0.00 -0.11 -0.13 105.19 112.46 2qea n GLY 81 Ca -0.19 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 2qea n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qea s THR 82 N -1.76 0.95 -0.13 2.61 2.01 -0.40 -0.86 115.64 118.06 2qea s THR 82 Ca 0.00 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 2qea s THR 82 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2qea s THR 82 CO 0.00 0.33 0.06 -0.22 -0.69 0.00 0.00 174.62 174.10 2qea s LEU 83 N 1.16 3.87 0.04 4.42 2.96 -0.15 -1.14 118.68 129.84 2qea s LEU 83 Ca -0.06 0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.87 2qea s LEU 83 Cb -0.14 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.65 2qea s LEU 83 CO -0.02 0.32 0.42 -1.83 -1.32 0.00 0.00 176.35 173.92 2qea s GLU 84 N -0.50 0.93 0.01 1.98 -1.05 -0.67 -1.09 118.70 118.31 2qea s GLU 84 Ca 0.10 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.27 2qea s GLU 84 Cb -0.12 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2qea s GLU 84 CO 0.02 -0.32 0.97 0.50 0.95 0.00 0.00 175.26 177.38 2qea s ARG 85 N -2.48 4.57 -0.10 -4.83 3.52 -1.26 -0.59 118.95 117.79 2qea s ARG 85 Ca -0.05 1.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 2qea s ARG 85 Cb -0.01 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 2qea s ARG 85 CO -0.02 -0.01 -0.09 0.45 -0.81 0.00 0.00 175.30 174.82 2qea s SER 86 N 0.86 4.46 -0.34 -2.12 0.15 0.56 -4.92 113.70 112.35 2qea s SER 86 Ca 0.51 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 57.10 2qea s SER 86 Cb -0.21 -1.35 0.54 0.00 -1.71 0.00 0.00 66.02 63.30 2qea s SER 86 CO 0.28 0.28 1.58 0.35 1.20 0.00 0.00 173.24 176.93 2qea n THR 87 N 2.79 2.74 -2.88 6.45 -2.24 -1.26 -4.30 114.28 115.57 2qea n THR 87 Ca -0.18 -2.61 -0.42 0.00 -2.27 0.00 0.00 64.05 58.58 2qea n THR 87 Cb 0.53 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 2qea n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qea s ASP 88 N -2.26 6.74 0.16 3.42 2.15 -1.26 -4.95 116.67 120.67 2qea s ASP 88 Ca 0.48 0.80 -0.10 0.00 0.43 0.00 0.00 52.55 54.16 2qea s ASP 88 Cb 0.43 -2.43 0.03 0.00 -0.30 0.00 0.00 42.92 40.64 2qea s ASP 88 CO 0.02 -0.64 1.59 0.03 -0.17 0.00 0.00 175.17 176.00 2qea h ARG 89 N 8.02 1.01 -0.42 4.34 2.47 -1.99 -2.60 114.38 125.20 2qea h ARG 89 Ca -0.23 -0.37 -0.08 0.00 -1.26 0.00 0.00 59.98 58.04 2qea h ARG 89 Cb 1.09 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2qea h ARG 89 CO 0.91 1.05 -0.04 0.93 0.56 0.00 0.00 179.97 183.38 2qea h GLU 90 N 0.88 0.76 -0.31 0.04 4.39 -1.99 -1.76 114.58 116.59 2qea h GLU 90 Ca 0.14 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 2qea h GLU 90 Cb 0.66 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2qea h GLU 90 CO 0.05 0.86 -0.01 0.00 -1.16 0.00 0.00 179.01 178.75 2qea h ALA 91 N 0.88 0.42 -0.34 3.43 0.00 -1.99 -1.67 119.26 119.98 2qea h ALA 91 Ca 0.11 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2qea h ALA 91 Cb 0.54 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2qea h ALA 91 CO 0.03 0.18 0.04 1.25 0.00 0.00 0.00 179.25 180.75 2qea h LEU 92 N 0.34 -0.04 -0.75 0.00 5.85 -1.40 -1.56 115.31 117.75 2qea h LEU 92 Ca 0.09 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 2qea h LEU 92 Cb 0.45 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2qea h LEU 92 CO 0.02 0.01 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.24 2qea h ASP 93 N 0.15 0.83 -0.12 1.25 3.58 -1.30 -2.58 116.42 118.22 2qea h ASP 93 Ca 0.16 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2qea h ASP 93 Cb 0.20 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2qea h ASP 93 CO -0.23 0.96 0.01 -0.08 -2.88 0.00 0.00 179.24 177.02 2qea h GLU 94 N 0.75 0.20 -0.25 0.28 4.81 -0.99 -3.25 114.58 116.13 2qea h GLU 94 Ca 0.12 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2qea h GLU 94 Cb 0.62 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2qea h GLU 94 CO 0.04 0.42 0.00 1.19 -0.73 0.00 0.00 179.01 179.93 2qea n PHE 95 N -4.81 0.33 -2.59 0.92 3.72 -0.61 -4.91 117.46 109.50 2qea n PHE 95 Ca -0.06 -0.16 -0.38 0.00 -0.05 0.00 0.00 57.45 56.80 2qea n PHE 95 Cb 0.19 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 2qea n PHE 95 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 2qea s TRP 96 N -1.67 3.47 0.27 1.38 -0.11 -0.97 -4.99 118.94 116.31 2qea s TRP 96 Ca 0.31 1.70 -0.02 0.00 1.22 0.00 0.00 56.10 59.32 2qea s TRP 96 Cb 0.17 -3.11 -0.02 0.00 -1.50 0.00 0.00 33.47 29.00 2qea s TRP 96 CO 0.24 -0.37 0.31 -1.54 -4.62 0.00 0.00 176.95 170.98 2qea s SER 97 N -1.39 0.62 0.39 5.86 1.04 -1.26 -5.03 113.70 113.92 2qea s SER 97 Ca 0.52 -1.41 0.08 0.00 0.48 0.00 0.00 55.95 55.63 2qea s SER 97 Cb -0.24 0.53 0.79 0.00 0.10 0.00 0.00 66.02 67.20 2qea s SER 97 CO 0.30 -1.06 1.95 0.15 0.98 0.00 0.00 173.24 175.56 2qea h PHE 98 N 2.32 0.34 -0.30 5.02 3.57 -2.00 -2.62 116.94 123.26 2qea h PHE 98 Ca -0.30 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.09 2qea h PHE 98 Cb 1.24 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2qea h PHE 98 CO 0.94 0.37 -0.16 0.28 -2.23 0.00 0.00 178.31 177.50 2qea h VAL 99 N 0.33 1.29 -0.66 1.41 2.07 -2.01 -3.21 116.25 115.48 2qea h VAL 99 Ca 0.07 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2qea h VAL 99 Cb 0.26 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2qea h VAL 99 CO 0.01 0.41 0.39 0.00 0.02 0.00 0.00 177.57 178.40 2qea h ALA 100 N 0.75 1.44 -0.05 1.67 0.00 -1.90 -2.61 119.26 118.57 2qea h ALA 100 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qea h ALA 100 Cb 0.70 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qea h ALA 100 CO 0.05 0.48 -0.10 -0.44 0.00 0.00 0.00 179.25 179.24 2qea h ASP 101 N 0.91 0.06 -0.72 0.00 3.32 -1.48 -1.94 116.42 116.58 2qea h ASP 101 Ca 0.24 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 2qea h ASP 101 Cb -0.02 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2qea h ASP 101 CO -0.04 0.17 0.28 0.00 -1.72 0.00 0.00 179.24 177.93 2qea h ALA 102 N 1.84 0.93 0.18 3.45 0.00 -1.48 -3.23 119.26 120.95 2qea h ALA 102 Ca 0.01 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 2qea h ALA 102 Cb 0.22 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 17.76 2qea h ALA 102 CO 0.01 0.56 -1.34 -1.49 0.00 0.00 0.00 179.25 176.99 2qea h TRP 103 N 1.03 0.90 -3.51 0.00 4.06 -1.57 -3.42 115.95 113.45 2qea h TRP 103 Ca 0.24 -0.62 -0.69 0.00 2.06 0.00 0.00 58.89 59.88 2qea h TRP 103 Cb 0.22 -0.05 -0.36 0.00 -1.00 0.00 0.00 29.16 27.97 2qea h TRP 103 CO 0.02 1.47 -0.49 -0.06 -3.56 0.00 0.00 178.44 175.81 2qea s PHE 104 N -2.77 3.49 0.47 0.49 0.08 -0.75 -4.98 117.98 114.01 2qea s PHE 104 Ca -0.08 -2.64 0.41 0.00 0.12 0.00 0.00 56.93 54.74 2qea s PHE 104 Cb 0.05 -3.16 2.07 0.00 -0.57 0.00 0.00 43.02 41.41 2qea s PHE 104 CO 0.93 -0.90 2.24 0.38 -0.10 0.00 0.00 175.22 177.77 2qea h ASP 105 N 7.48 0.00 -0.22 1.36 2.03 -1.82 -2.98 116.42 122.27 2qea h ASP 105 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2qea h ASP 105 Cb 0.99 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 2qea h ASP 105 CO 0.69 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 2qea n GLY 106 N -0.71 0.03 6.62 7.15 0.00 -1.26 -5.06 105.19 111.95 2qea n GLY 106 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2qea n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qea n GLY 107 N 0.86 -2.05 0.23 -0.02 0.00 -1.13 -3.67 105.19 99.41 2qea n GLY 107 Ca 0.08 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.71 2qea n GLY 107 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qea h GLN 108 N 0.00 0.00 -0.69 1.61 3.07 -1.97 -2.78 115.11 114.34 2qea h GLN 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qea h GLN 108 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2qea h GLN 108 CO 0.00 0.20 0.00 0.72 0.09 0.00 0.00 178.83 179.84 2qea n HIS 109 N -4.05 1.16 -1.90 0.06 8.25 -1.26 -4.89 115.22 112.58 2qea n HIS 109 Ca -0.02 -0.42 -0.41 0.00 -0.26 0.00 0.00 57.72 56.61 2qea n HIS 109 Cb 0.28 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 2qea n HIS 109 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qea s ASP 110 N -0.57 6.52 0.46 0.41 -1.08 -1.05 -4.92 116.67 116.44 2qea s ASP 110 Ca 0.33 2.79 0.13 0.00 -0.52 0.00 0.00 52.55 55.28 2qea s ASP 110 Cb 0.24 -2.63 1.07 0.00 -1.46 0.00 0.00 42.92 40.14 2qea s ASP 110 CO 0.12 -0.81 2.05 1.55 0.52 0.00 0.00 175.17 178.60 2qea h PRO 111 N 5.11 0.31 0.00 4.34 0.13 -1.92 -1.90 132.00 138.06 2qea h PRO 111 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qea h PRO 111 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2qea h PRO 111 CO 0.80 0.20 0.00 -0.44 -0.23 0.00 0.00 178.00 178.33 2qea h ASP 112 N 0.32 0.00 -3.85 1.44 3.32 -1.96 -3.46 116.42 112.22 2qea h ASP 112 Ca 0.16 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.69 2qea h ASP 112 Cb 0.24 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.85 2qea h ASP 112 CO -0.03 0.00 0.63 -0.69 -1.72 0.00 0.00 179.24 177.42 2qea s VAL 113 N -3.55 2.79 -0.07 -1.35 1.01 -0.72 -0.32 120.40 118.18 2qea s VAL 113 Ca 0.02 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 2qea s VAL 113 Cb 0.09 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 33.00 2qea s VAL 113 CO 0.54 0.19 0.10 0.00 0.00 0.00 0.00 175.10 175.92 2qea s LEU 115 N 2.21 4.35 0.07 0.00 2.96 -1.26 -1.35 118.68 125.65 2qea s LEU 115 Ca 0.04 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.83 2qea s LEU 115 Cb -0.13 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 2qea s LEU 115 CO -0.05 -0.66 0.36 -0.76 -1.32 0.00 0.00 176.35 173.93 2qea s LEU 116 N 2.74 4.34 -0.16 -0.68 1.43 0.21 -0.32 118.68 126.23 2qea s LEU 116 Ca 0.23 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2qea s LEU 116 Cb -0.14 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.14 2qea s LEU 116 CO 0.16 0.17 -0.09 -0.75 0.23 0.00 0.00 176.35 176.07 2qea s LYS 117 N -2.01 1.81 -0.33 1.70 2.20 0.25 -1.47 119.74 121.89 2qea s LYS 117 Ca 0.33 -0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 55.30 2qea s LYS 117 Cb -0.13 -2.04 0.01 0.00 -1.51 0.00 0.00 37.83 34.16 2qea s LYS 117 CO 0.19 -0.35 0.15 0.12 -0.36 0.00 0.00 175.35 175.10 2qea s PHE 118 N 1.56 3.20 -0.38 4.03 5.36 0.95 -1.68 117.98 131.02 2qea s PHE 118 Ca 0.02 -0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 54.96 2qea s PHE 118 Cb -0.14 -2.36 0.01 0.00 -0.34 0.00 0.00 43.02 40.18 2qea s PHE 118 CO -0.09 -0.58 0.29 0.99 -1.46 0.00 0.00 175.22 174.37 2qea s THR 119 N 1.55 5.26 0.27 0.12 2.01 -0.29 -0.10 115.64 124.45 2qea s THR 119 Ca 0.03 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 2qea s THR 119 Cb -0.18 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 2qea s THR 119 CO 0.05 -0.20 1.21 -2.84 -0.69 0.00 0.00 174.62 172.15 2qea s PRO 120 N 1.74 4.49 -0.21 4.92 0.02 -1.26 -1.27 135.00 143.42 2qea s PRO 120 Ca 0.06 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 62.90 2qea s PRO 120 Cb -0.18 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.09 2qea s PRO 120 CO 0.10 -0.02 -0.25 0.00 -0.33 0.00 0.00 177.00 176.50 2qea n ALA 121 N 1.45 0.91 -3.44 -1.55 0.00 0.82 -4.68 120.51 114.03 2qea n ALA 121 Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.55 2qea n ALA 121 Cb 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 2qea n ALA 121 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qea s SER 122 N -6.56 -0.21 0.00 0.00 1.04 -0.88 -0.86 113.70 106.23 2qea s SER 122 Ca -0.30 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2qea s SER 122 Cb 0.08 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2qea s SER 122 CO 0.44 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2qea n GLY 123 N -0.39 0.72 3.56 7.32 0.00 -0.45 0.11 105.19 116.05 2qea n GLY 123 Ca -0.06 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2qea n GLY 123 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qea s GLU 124 N -2.00 3.67 -0.03 1.61 2.12 -0.89 -0.88 118.70 122.30 2qea s GLU 124 Ca 0.00 -0.36 0.07 0.00 0.36 0.00 0.00 54.97 55.04 2qea s GLU 124 Cb 0.00 -3.76 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 2qea s GLU 124 CO 0.00 -0.43 -0.25 0.42 -0.54 0.00 0.00 175.26 174.45 2qea s ILE 125 N 1.96 2.03 -0.07 -3.70 1.01 -0.12 -2.23 121.20 120.08 2qea s ILE 125 Ca 0.11 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 59.72 2qea s ILE 125 Cb -0.16 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 2qea s ILE 125 CO 0.11 0.57 -0.22 -0.44 0.00 0.00 0.00 174.94 174.96 2qea s SER 126 N -0.44 2.80 -0.11 3.58 0.01 0.64 -1.78 113.70 118.40 2qea s SER 126 Ca 0.05 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.83 2qea s SER 126 Cb -0.11 -1.01 0.02 0.00 0.21 0.00 0.00 66.02 65.13 2qea s SER 126 CO 0.01 0.18 -0.11 -0.63 0.41 0.00 0.00 173.24 173.09 2qea s ILE 127 N 0.13 1.22 -0.87 1.44 1.01 -0.74 -1.41 121.20 121.98 2qea s ILE 127 Ca -0.10 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 2qea s ILE 127 Cb -0.15 -1.16 0.08 0.00 0.01 0.00 0.00 42.46 41.24 2qea s ILE 127 CO 0.05 0.39 1.20 -0.89 0.00 0.00 0.00 174.94 175.70 2qea s THR 128 N 1.28 4.27 0.18 2.92 2.01 -0.21 -2.50 115.64 123.59 2qea s THR 128 Ca -0.02 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 2qea s THR 128 Cb -0.14 -4.86 -0.08 0.00 0.01 0.00 0.00 72.50 67.43 2qea s THR 128 CO -0.04 -1.67 1.27 -1.61 -0.69 0.00 0.00 174.62 171.88 2qea s GLU 129 N 4.07 4.42 0.00 4.92 0.41 -1.26 -4.78 118.70 126.48 2qea s GLU 129 Ca 0.34 1.97 0.00 0.00 -0.41 0.00 0.00 54.97 56.88 2qea s GLU 129 Cb -0.07 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2qea s GLU 129 CO -0.02 -0.21 0.00 0.41 -0.49 0.00 0.00 175.26 174.95 2qea n GLY 130 N 2.44 -1.60 0.00 -1.39 0.00 -1.26 -4.58 105.19 98.80 2qea n GLY 130 Ca 0.06 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2qea n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qea n GLY 131 N -1.86 3.51 0.20 -0.02 0.00 -1.26 -4.94 105.19 100.81 2qea n GLY 131 Ca 0.00 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.37 2qea n GLY 131 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qea h GLY 132 N 0.00 0.00 0.85 -0.02 0.00 -1.99 -2.68 103.07 99.23 2qea h GLY 132 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2qea h GLY 132 CO 0.00 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.58 2qea h ALA 133 N 1.66 0.26 -0.46 3.60 0.00 -1.99 -0.99 119.26 121.33 2qea h ALA 133 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2qea h ALA 133 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2qea h ALA 133 CO 0.04 -0.09 -0.19 -0.09 0.00 0.00 0.00 179.25 178.92 2qea h ARG 134 N 0.13 0.94 -0.50 0.00 2.43 -1.92 -2.25 114.38 113.21 2qea h ARG 134 Ca 0.06 -0.40 0.07 0.00 -0.81 0.00 0.00 59.98 58.90 2qea h ARG 134 Cb 0.28 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 2qea h ARG 134 CO 0.00 1.06 0.18 0.35 -1.51 0.00 0.00 179.97 180.05 2qea h PHE 135 N 0.79 0.32 -0.79 2.20 3.57 -1.41 0.20 116.94 121.80 2qea h PHE 135 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2qea h PHE 135 Cb 0.76 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 2qea h PHE 135 CO 0.05 0.10 0.39 1.25 -2.23 0.00 0.00 178.31 177.88 2qea h LEU 136 N 0.36 1.02 -0.15 0.59 5.85 -1.11 -2.41 115.31 119.46 2qea h LEU 136 Ca 0.24 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2qea h LEU 136 Cb 0.26 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2qea h LEU 136 CO -0.25 0.86 -0.05 0.22 -0.34 0.00 0.00 178.44 178.89 2qea h TYR 137 N 1.11 0.34 -0.47 1.25 3.20 -0.85 -2.64 116.97 118.92 2qea h TYR 137 Ca 0.27 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 2qea h TYR 137 Cb 0.10 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2qea h TYR 137 CO 0.01 0.60 0.28 0.93 -1.64 0.00 0.00 178.16 178.34 2qea h GLU 138 N -0.01 0.62 -0.24 1.82 4.39 -0.56 0.28 114.58 120.88 2qea h GLU 138 Ca 0.04 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2qea h GLU 138 Cb 0.49 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2qea h GLU 138 CO 0.02 0.44 -0.39 0.82 -1.16 0.00 0.00 179.01 178.74 2qea h ILE 139 N 0.64 1.31 -0.57 3.13 2.04 -1.46 -0.69 117.51 121.91 2qea h ILE 139 Ca 0.17 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 2qea h ILE 139 Cb -0.03 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2qea h ILE 139 CO -0.03 0.50 0.19 0.00 0.00 0.00 0.00 178.15 178.81 2qea h ALA 140 N 0.65 0.74 -0.84 1.87 0.00 -1.07 -2.97 119.26 117.64 2qea h ALA 140 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2qea h ALA 140 Cb 0.98 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2qea h ALA 140 CO 0.09 0.39 0.40 -0.22 0.00 0.00 0.00 179.25 179.91 2qea h LYS 141 N 0.79 1.22 -0.92 0.00 3.64 -0.45 -2.76 116.57 118.09 2qea h LYS 141 Ca 0.18 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2qea h LYS 141 Cb 0.26 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 2qea h LYS 141 CO -0.01 0.94 0.59 0.00 -2.27 0.00 0.00 179.45 178.70 2qea h ALA 142 N 1.23 1.57 0.06 5.00 0.00 -0.96 0.25 119.26 126.42 2qea h ALA 142 Ca 0.29 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.95 2qea h ALA 142 Cb 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qea h ALA 142 CO -0.04 0.25 -1.07 0.45 0.00 0.00 0.00 179.25 178.84 2qea h HIS 143 N 0.96 0.42 -0.26 0.00 3.86 -1.49 -0.69 115.15 117.94 2qea h HIS 143 Ca 0.42 -0.27 -0.18 0.00 -1.16 0.00 0.00 60.37 59.18 2qea h HIS 143 Cb 0.36 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2qea h HIS 143 CO -0.00 1.15 -0.55 -0.07 0.86 0.00 0.00 177.93 179.32 2qea h LEU 144 N 0.11 0.88 0.00 2.43 3.38 -1.10 -3.39 115.31 117.62 2qea h LEU 144 Ca -0.09 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2qea h LEU 144 Cb 1.76 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2qea h LEU 144 CO 0.17 1.25 -1.24 0.35 0.09 0.00 0.00 178.44 179.06 2qea n THR 145 N -3.99 0.00 -2.44 0.22 -2.24 0.82 -5.02 114.28 101.62 2qea n THR 145 Ca -0.04 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 2qea n THR 145 Cb 0.62 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 2qea n THR 145 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qea n ASP 146 N -1.72 -5.81 -4.73 3.42 8.00 -0.26 -5.01 116.55 110.43 2qea n ASP 146 Ca -0.01 -0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.13 2qea n ASP 146 Cb 0.27 -4.81 -0.08 0.00 -0.02 0.00 0.00 41.12 36.48 2qea n ASP 146 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qea s GLU 147 N -5.07 2.87 0.26 -1.24 2.02 -1.25 -5.08 118.70 111.20 2qea s GLU 147 Ca 0.03 -0.60 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 2qea s GLU 147 Cb -0.01 -2.73 -0.09 0.00 0.10 0.00 0.00 34.13 31.39 2qea s GLU 147 CO 0.03 0.62 1.24 0.95 0.02 0.00 0.00 175.26 178.12 2qea s THR 148 N -1.19 3.17 0.34 3.63 -4.23 -1.26 -4.46 115.64 111.64 2qea s THR 148 Ca 0.23 1.09 -0.29 0.00 -1.18 0.00 0.00 61.69 61.54 2qea s THR 148 Cb -0.12 -3.69 -0.12 0.00 1.34 0.00 0.00 72.50 69.91 2qea s THR 148 CO 0.14 0.22 1.41 -2.65 -0.54 0.00 0.00 174.62 173.20 2qea n PRO 149 N 1.65 2.39 -4.14 3.99 -0.02 -1.26 -5.03 135.00 132.57 2qea n PRO 149 Ca 0.02 0.84 -0.26 0.00 -2.02 0.00 0.00 63.50 62.08 2qea n PRO 149 Cb 0.43 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 2qea n PRO 149 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qea s ASP 150 N -0.10 5.21 0.28 2.55 2.15 -1.26 -5.16 116.67 120.34 2qea s ASP 150 Ca 0.57 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.29 2qea s ASP 150 Cb -0.53 -1.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 2qea s ASP 150 CO 0.60 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 176.28 2qea n GLY 152 N -0.35 -1.04 3.93 2.66 0.00 -1.26 -4.99 105.19 104.13 2qea n GLY 152 Ca -0.09 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 2qea n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qea s GLU 153 N -0.83 3.51 -0.14 1.61 8.01 -1.04 -4.93 118.70 124.90 2qea s GLU 153 Ca 0.00 -0.36 -0.06 0.00 0.01 0.00 0.00 54.97 54.56 2qea s GLU 153 Cb 0.00 -2.81 0.06 0.00 -4.31 0.00 0.00 34.13 27.07 2qea s GLU 153 CO 0.00 0.36 0.31 -1.14 0.01 0.00 0.00 175.26 174.80 2qea s GLN 154 N -3.54 0.26 0.09 1.61 -0.44 -1.26 -1.79 119.66 114.59 2qea s GLN 154 Ca 0.39 0.68 -0.26 0.00 -2.50 0.00 0.00 55.36 53.67 2qea s GLN 154 Cb -0.11 -0.05 0.08 0.00 -1.64 0.00 0.00 33.01 31.30 2qea s GLN 154 CO 0.30 -0.19 0.82 0.00 0.50 0.00 0.00 175.29 176.73 2qea s ALA 155 N 1.59 -1.69 -0.28 1.58 0.00 -0.74 -5.03 121.76 117.20 2qea s ALA 155 Ca -0.07 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 2qea s ALA 155 Cb -0.10 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 2qea s ALA 155 CO -0.10 -0.80 0.17 0.99 0.00 0.00 0.00 175.76 176.01 2qea s THR 156 N -3.36 5.11 0.05 0.00 2.01 -1.26 -0.94 115.64 117.24 2qea s THR 156 Ca 0.06 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.20 2qea s THR 156 Cb -0.01 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2qea s THR 156 CO -0.07 0.25 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.29 2qea s VAL 157 N 1.73 3.09 -0.24 3.82 1.01 -0.05 -4.98 120.40 124.78 2qea s VAL 157 Ca 0.07 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 2qea s VAL 157 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2qea s VAL 157 CO 0.09 0.30 0.03 -0.89 0.00 0.00 0.00 175.10 174.63 2qea s THR 158 N -1.00 3.98 -2.00 3.92 2.01 -1.26 -1.34 115.64 119.94 2qea s THR 158 Ca 0.16 -0.29 0.29 0.00 0.31 0.00 0.00 61.69 62.17 2qea s THR 158 Cb -0.11 -2.84 0.82 0.00 0.01 0.00 0.00 72.50 70.38 2qea s THR 158 CO 0.07 0.37 2.06 0.49 -0.69 0.00 0.00 174.62 176.93