#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 0.36 -0.19 0.00 3.58 -2.05 -2.35 116.42 115.76 2qea h ASP 3 Ca 0.00 -0.36 -0.12 0.00 0.42 0.00 0.00 57.03 56.97 2qea h ASP 3 Cb 0.00 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2qea h ASP 3 CO 0.00 0.64 -0.28 0.25 -2.88 0.00 0.00 179.24 176.97 2qea h LEU 4 N 0.07 0.70 -0.63 2.28 6.46 -2.04 -2.81 115.31 119.34 2qea h LEU 4 Ca 0.05 -0.27 -0.06 0.00 -0.12 0.00 0.00 57.88 57.48 2qea h LEU 4 Cb 0.48 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2qea h LEU 4 CO 0.02 0.94 0.17 0.74 -0.62 0.00 0.00 178.44 179.69 2qea h THR 5 N 0.59 1.25 -0.73 1.05 2.02 -2.00 -1.02 112.91 114.07 2qea h THR 5 Ca 0.07 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.35 2qea h THR 5 Cb 0.78 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2qea h THR 5 CO 0.06 0.34 0.46 -0.74 0.37 0.00 0.00 175.52 176.01 2qea h HIS 6 N 0.92 0.94 -0.33 3.16 -0.00 -1.37 -2.41 115.15 116.06 2qea h HIS 6 Ca 0.20 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 2qea h HIS 6 Cb 0.34 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 2qea h HIS 6 CO 0.02 0.62 -0.14 0.93 -0.00 0.00 0.00 177.93 179.36 2qea h GLU 7 N 0.99 0.58 0.20 5.26 5.08 -1.28 -2.23 114.58 123.18 2qea h GLU 7 Ca 0.26 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2qea h GLU 7 Cb -0.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2qea h GLU 7 CO -0.05 0.71 -0.10 0.35 -1.00 0.00 0.00 179.01 178.92 2qea h PHE 8 N 0.53 -0.25 -0.45 4.33 3.57 -0.76 -1.92 116.94 121.99 2qea h PHE 8 Ca 0.09 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2qea h PHE 8 Cb 0.56 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2qea h PHE 8 CO 0.02 -0.13 0.03 -1.49 -2.23 0.00 0.00 178.31 174.52 2qea h TRP 9 N -0.30 0.75 0.01 0.41 4.06 -1.44 -1.13 115.95 118.31 2qea h TRP 9 Ca -0.03 -0.09 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 2qea h TRP 9 Cb 0.23 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2qea h TRP 9 CO -0.05 0.68 -0.00 0.22 -3.56 0.00 0.00 178.44 175.73 2qea h ASP 10 N 0.68 -0.01 1.15 -3.49 3.58 -1.32 -3.20 116.42 113.81 2qea h ASP 10 Ca 0.14 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.33 2qea h ASP 10 Cb 0.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2qea h ASP 10 CO 0.01 0.17 -0.41 0.03 -2.88 0.00 0.00 179.24 176.16 2qea h ARG 11 N -0.19 0.00 0.00 0.28 3.08 -1.30 -3.27 114.38 112.98 2qea h ARG 11 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2qea h ARG 11 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qea h ARG 11 CO 0.00 0.41 -0.10 1.25 -1.07 0.00 0.00 179.97 180.46 2qea h LEU 12 N 0.00 0.00 -0.85 3.04 5.85 -1.19 -3.03 115.31 119.12 2qea h LEU 12 Ca -0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2qea h LEU 12 Cb 1.09 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 2qea h LEU 12 CO 0.05 0.10 0.54 -0.33 -0.34 0.00 0.00 178.44 178.46 2qea h GLU 13 N 0.00 0.98 -0.00 1.25 5.08 -1.63 -2.56 114.58 117.70 2qea h GLU 13 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qea h GLU 13 Cb 0.21 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2qea h GLU 13 CO 0.01 0.65 -0.11 -0.25 -1.00 0.00 0.00 179.01 178.32 2qea n ASP 14 N -4.59 0.53 -4.62 1.42 8.00 -1.15 -4.82 116.55 111.32 2qea n ASP 14 Ca 0.12 -0.66 -0.43 0.00 0.71 0.00 0.00 54.79 54.53 2qea n ASP 14 Cb 0.14 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.43 4.03 0.19 2.53 1.01 -0.97 -4.91 120.40 119.85 2qea s VAL 15 Ca 0.30 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2qea s VAL 15 Cb 0.20 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 2qea s VAL 15 CO 0.46 -0.59 1.45 -0.09 0.00 0.00 0.00 175.10 176.33 2qea h ARG 16 N 9.90 0.29 -4.51 2.72 2.43 -1.87 -3.41 114.38 119.93 2qea h ARG 16 Ca -0.27 -0.25 -0.20 0.00 -0.81 0.00 0.00 59.98 58.46 2qea h ARG 16 Cb 1.10 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.55 2qea h ARG 16 CO 1.05 0.91 -0.70 -1.12 -1.51 0.00 0.00 179.97 178.61 2qea s SER 17 N -6.94 0.90 0.00 -3.80 0.01 -1.26 -4.19 113.70 98.42 2qea s SER 17 Ca -0.04 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2qea s SER 17 Cb 0.11 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2qea s SER 17 CO 0.82 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2qea n GLY 18 N 0.18 2.57 0.00 3.44 0.00 -1.26 -4.73 105.19 105.38 2qea n GLY 18 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.57 0.99 7.94 -0.63 -4.33 117.00 117.41 2qea n LEU 20 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2qea n LEU 20 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2qea n LEU 20 CO 0.00 0.00 0.84 -0.83 -1.11 0.00 0.00 177.39 176.29 2qea s GLY 21 N 0.00 -0.29 -0.02 -3.96 0.00 -0.40 -1.72 107.32 100.93 2qea s GLY 21 Ca 0.00 1.76 -0.21 0.00 0.00 0.00 0.00 44.72 46.27 2qea s GLY 21 CO 0.00 0.76 0.62 -0.42 0.00 0.00 0.00 173.10 174.05 2qea s ILE 22 N -1.89 4.94 0.17 0.90 1.01 -1.26 -0.20 121.20 124.87 2qea s ILE 22 Ca 0.03 1.29 -0.32 0.00 0.00 0.00 0.00 60.65 61.66 2qea s ILE 22 Cb -0.01 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 2qea s ILE 22 CO -0.03 0.38 1.75 -0.54 0.00 0.00 0.00 174.94 176.49 2qea s LYS 23 N 0.07 4.14 0.00 2.79 1.02 -0.35 -2.42 119.74 124.99 2qea s LYS 23 Ca 0.32 2.57 0.00 0.00 0.02 0.00 0.00 55.97 58.89 2qea s LYS 23 Cb -0.18 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2qea s LYS 23 CO 0.17 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 2qea n GLY 24 N 4.06 2.17 3.05 -3.33 0.00 -1.26 -4.95 105.19 104.93 2qea n GLY 24 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.20 1.92 2.95 1.61 -0.21 -1.02 -5.07 119.66 119.65 2qea s GLN 25 Ca 0.00 -2.11 0.00 0.00 0.02 0.00 0.00 55.36 53.27 2qea s GLN 25 Cb 0.00 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.58 2qea s GLN 25 CO 0.00 -1.05 0.00 0.41 -2.12 0.00 0.00 175.29 172.53 2qea n GLY 26 N 4.01 0.10 3.74 3.09 0.00 -1.26 -4.44 105.19 110.41 2qea n GLY 26 Ca 0.03 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 2.30 0.12 1.61 0.52 -1.26 -4.98 118.95 117.26 2qea s ARG 27 Ca 0.00 -1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 53.23 2qea s ARG 27 Cb 0.00 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.31 2qea s ARG 27 CO 0.00 0.01 1.23 -0.51 0.02 0.00 0.00 175.30 176.05 2qea s LEU 28 N -3.88 4.40 0.14 2.53 1.43 -1.26 -4.80 118.68 117.24 2qea s LEU 28 Ca 0.39 2.15 0.10 0.00 -1.03 0.00 0.00 54.13 55.75 2qea s LEU 28 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 2qea s LEU 28 CO 0.23 -0.46 -0.20 0.27 0.23 0.00 0.00 176.35 176.41 2qea s ILE 29 N 0.62 2.66 0.84 -0.59 -4.36 -0.70 -4.85 121.20 114.83 2qea s ILE 29 Ca 0.57 -1.66 -0.11 0.00 -0.26 0.00 0.00 60.65 59.19 2qea s ILE 29 Cb -0.32 -2.23 0.10 0.00 1.25 0.00 0.00 42.46 41.26 2qea s ILE 29 CO 0.32 0.04 1.09 -2.16 0.24 0.00 0.00 174.94 174.48 2qea s PRO 30 N -2.27 1.67 -0.26 0.37 0.04 -1.26 -1.60 135.00 131.69 2qea s PRO 30 Ca 0.18 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 2qea s PRO 30 Cb -0.10 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.68 2qea s PRO 30 CO 0.10 -2.01 0.04 -1.12 0.04 0.00 0.00 177.00 174.05 2qea s SER 32 N -3.36 3.70 0.20 6.66 0.01 -1.26 -4.94 113.70 114.71 2qea s SER 32 Ca 0.63 -1.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.27 2qea s SER 32 Cb -0.18 -0.90 -0.08 0.00 0.21 0.00 0.00 66.02 65.07 2qea s SER 32 CO 0.57 -0.34 1.10 -2.16 0.41 0.00 0.00 173.24 172.82 2qea s PRO 33 N 1.60 4.60 -0.15 12.44 0.04 -1.26 -4.64 135.00 147.63 2qea s PRO 33 Ca 0.03 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2qea s PRO 33 Cb -0.18 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2qea s PRO 33 CO -0.15 0.10 -0.20 -0.65 0.04 0.00 0.00 177.00 176.14 2qea s GLN 34 N -0.57 3.04 0.18 4.56 -1.52 0.48 -4.88 119.66 120.95 2qea s GLN 34 Ca 0.48 -0.83 -0.03 0.00 -1.95 0.00 0.00 55.36 53.03 2qea s GLN 34 Cb -0.30 -2.50 -0.03 0.00 -0.22 0.00 0.00 33.01 29.95 2qea s GLN 34 CO 0.36 -0.07 0.15 0.95 -0.25 0.00 0.00 175.29 176.43 2qea s THR 35 N 0.96 0.03 -0.23 -0.19 -4.23 -1.26 -0.76 115.64 109.96 2qea s THR 35 Ca -0.03 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 2qea s THR 35 Cb -0.15 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.48 2qea s THR 35 CO -0.05 -0.15 0.15 -0.62 -0.54 0.00 0.00 174.62 173.40 2qea s ASP 36 N -3.10 2.55 0.34 3.99 2.15 -1.26 -4.89 116.67 116.45 2qea s ASP 36 Ca 0.32 -0.81 0.26 0.00 0.43 0.00 0.00 52.55 52.75 2qea s ASP 36 Cb 0.06 -0.10 1.20 0.00 -0.30 0.00 0.00 42.92 43.78 2qea s ASP 36 CO 0.08 -0.38 1.78 -2.24 -0.17 0.00 0.00 175.17 174.24 2qea h ASP 37 N 8.38 0.00 0.43 -0.34 2.03 -1.95 -1.78 116.42 123.19 2qea h ASP 37 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2qea h ASP 37 Cb 1.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2qea h ASP 37 CO 0.35 0.00 -0.27 -0.90 -1.03 0.00 0.00 179.24 177.39 2qea n ASP 38 N -2.41 0.61 -3.11 4.15 5.75 -1.26 -4.19 116.55 116.09 2qea n ASP 38 Ca 0.00 -0.46 -0.19 0.00 -0.01 0.00 0.00 54.79 54.14 2qea n ASP 38 Cb 0.16 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 2qea n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qea n ALA 39 N -1.09 2.51 -1.29 2.12 0.00 -0.68 -5.15 120.51 116.93 2qea n ALA 39 Ca 0.10 -3.57 -0.11 0.00 0.00 0.00 0.00 53.44 49.86 2qea n ALA 39 Cb 0.33 -0.90 0.12 0.00 0.00 0.00 0.00 19.45 19.00 2qea n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qea n PRO 40 N 0.17 -1.34 0.00 0.00 -0.04 -1.15 -4.72 135.00 127.93 2qea n PRO 40 Ca 0.25 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2qea n PRO 40 Cb 0.63 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.44 1.63 3.02 0.55 0.00 -1.26 -5.09 105.19 103.59 2qea n GLY 41 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.75 0.35 -0.20 4.61 0.00 -1.26 -4.12 121.76 119.39 2qea s ALA 42 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 2qea s ALA 42 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2qea s ALA 42 CO 0.00 -0.07 -0.06 0.42 0.00 0.00 0.00 175.76 176.04 2qea s ILE 43 N -1.31 3.31 -0.03 0.00 1.01 0.11 -4.78 121.20 119.51 2qea s ILE 43 Ca -0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2qea s ILE 43 Cb -0.09 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2qea s ILE 43 CO -0.00 0.45 0.09 0.26 0.00 0.00 0.00 174.94 175.74 2qea s TRP 44 N 1.17 3.34 0.00 3.97 0.52 0.06 -0.55 118.94 127.46 2qea s TRP 44 Ca 0.02 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.41 2qea s TRP 44 Cb -0.14 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2qea s TRP 44 CO -0.02 0.58 -0.04 -0.06 0.02 0.00 0.00 176.95 177.43 2qea s PHE 45 N -1.16 0.37 -0.23 -1.98 0.08 -0.34 -0.39 117.98 114.32 2qea s PHE 45 Ca 0.21 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 57.09 2qea s PHE 45 Cb -0.12 -0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 42.08 2qea s PHE 45 CO 0.12 -0.02 0.02 0.42 -0.10 0.00 0.00 175.22 175.67 2qea s ILE 46 N -0.23 3.95 0.30 0.64 1.01 -1.26 -0.67 121.20 124.93 2qea s ILE 46 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2qea s ILE 46 Cb -0.02 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 2qea s ILE 46 CO -0.00 0.38 0.34 0.28 0.00 0.00 0.00 174.94 175.93 2qea s THR 47 N 1.50 0.00 0.31 2.92 -1.32 -0.58 -4.97 115.64 113.50 2qea s THR 47 Ca 0.06 -1.79 -0.12 0.00 -1.21 0.00 0.00 61.69 58.63 2qea s THR 47 Cb -0.15 -2.52 -0.08 0.00 -1.51 0.00 0.00 72.50 68.25 2qea s THR 47 CO 0.01 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.09 2qea s ALA 48 N -3.53 3.42 0.37 11.08 0.00 -1.26 -0.47 121.76 131.37 2qea s ALA 48 Ca 0.35 -0.14 0.15 0.00 0.00 0.00 0.00 51.96 52.31 2qea s ALA 48 Cb 0.02 -2.62 0.82 0.00 0.00 0.00 0.00 23.12 21.34 2qea s ALA 48 CO 0.19 0.32 1.86 0.87 0.00 0.00 0.00 175.76 179.01 2qea h LYS 49 N 2.12 0.00 0.00 0.00 1.57 -1.49 -3.05 116.57 115.73 2qea h LYS 49 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2qea h LYS 49 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2qea h LYS 49 CO 0.66 0.33 0.00 0.41 -0.57 0.00 0.00 179.45 180.28 2qea n GLY 50 N -0.50 -1.23 3.79 3.86 0.00 -1.26 -4.07 105.19 105.78 2qea n GLY 50 Ca -0.02 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.15 3.46 0.27 2.61 -4.23 -1.15 -4.90 115.64 108.54 2qea s THR 51 Ca 0.07 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2qea s THR 51 Cb 0.10 -3.09 0.08 0.00 1.34 0.00 0.00 72.50 70.94 2qea s THR 51 CO 0.37 -0.62 1.73 0.44 -0.54 0.00 0.00 174.62 176.00 2qea h ASP 52 N -1.03 0.62 -0.45 3.99 3.32 -1.90 -2.26 116.42 118.71 2qea h ASP 52 Ca -0.45 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.35 2qea h ASP 52 Cb 1.24 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2qea h ASP 52 CO 0.55 0.79 0.02 -0.07 -1.72 0.00 0.00 179.24 178.81 2qea h LEU 53 N 0.56 0.76 -0.17 1.55 3.38 -1.94 -0.49 115.31 118.97 2qea h LEU 53 Ca 0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2qea h LEU 53 Cb 0.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qea h LEU 53 CO 0.04 0.87 0.05 0.00 0.09 0.00 0.00 178.44 179.48 2qea h ALA 54 N 0.92 0.22 -0.25 1.53 0.00 -1.78 -2.82 119.26 117.07 2qea h ALA 54 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2qea h ALA 54 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qea h ALA 54 CO 0.02 -0.15 -0.18 0.87 0.00 0.00 0.00 179.25 179.81 2qea h LYS 55 N 0.08 0.45 0.00 0.00 1.57 -1.44 -2.53 116.57 114.70 2qea h LYS 55 Ca 0.05 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2qea h LYS 55 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2qea h LYS 55 CO -0.00 0.61 -0.19 0.78 -0.57 0.00 0.00 179.45 180.09 2qea h GLY 56 N 0.95 0.00 -1.30 3.86 0.00 -0.94 -3.08 103.07 102.56 2qea h GLY 56 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2qea h GLY 56 CO 0.04 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.91 2qea n VAL 57 N -3.99 0.92 -0.15 4.60 0.24 -1.08 -4.68 118.33 114.19 2qea n VAL 57 Ca -0.02 -0.96 -0.07 0.00 -2.04 0.00 0.00 64.34 61.25 2qea n VAL 57 Cb 0.27 0.56 0.09 0.00 -1.47 0.00 0.00 33.84 33.29 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 2.13 0.96 -0.12 2.33 0.00 -1.36 -2.82 119.26 120.38 2qea h ALA 58 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2qea h ALA 58 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qea h ALA 58 CO 0.00 0.63 -0.38 0.00 0.00 0.00 0.00 179.25 179.50 2qea h ALA 59 N 1.12 1.14 0.00 0.00 0.00 -1.83 -3.49 119.26 116.20 2qea h ALA 59 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qea h ALA 59 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qea h ALA 59 CO 0.03 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2qea n GLY 60 N -0.26 -2.85 3.72 0.00 0.00 -1.06 -5.14 105.19 99.60 2qea n GLY 60 Ca -0.01 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 2qea n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qea n PRO 61 N -0.93 2.41 -4.40 1.61 -0.02 -1.26 -4.52 135.00 127.89 2qea n PRO 61 Ca 0.00 0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 62.08 2qea n PRO 61 Cb 0.00 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 30.78 2qea n PRO 61 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2qea s GLN 62 N -0.66 1.25 0.17 -0.52 -1.52 -0.57 -4.98 119.66 112.83 2qea s GLN 62 Ca 0.64 -1.15 -0.31 0.00 -1.95 0.00 0.00 55.36 52.59 2qea s GLN 62 Cb -0.56 -1.52 -0.10 0.00 -0.22 0.00 0.00 33.01 30.61 2qea s GLN 62 CO 0.51 0.36 1.53 -2.14 -0.25 0.00 0.00 175.29 175.31 2qea s PRO 63 N -1.76 4.23 0.27 2.91 0.02 -1.26 -1.01 135.00 138.40 2qea s PRO 63 Ca 0.08 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.44 2qea s PRO 63 Cb -0.10 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 2qea s PRO 63 CO 0.04 -0.57 0.12 0.00 -0.33 0.00 0.00 177.00 176.26 2qea s ALA 64 N 0.99 1.78 -0.02 -1.55 0.00 -0.34 -1.21 121.76 121.42 2qea s ALA 64 Ca 0.68 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.86 2qea s ALA 64 Cb -0.43 1.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 2qea s ALA 64 CO 0.33 -0.48 -0.10 -1.14 0.00 0.00 0.00 175.76 174.37 2qea s GLN 65 N -3.97 0.89 -0.14 0.00 0.74 0.72 -1.35 119.66 116.55 2qea s GLN 65 Ca 0.37 -0.34 -0.01 0.00 0.05 0.00 0.00 55.36 55.43 2qea s GLN 65 Cb 0.07 -0.85 0.04 0.00 1.10 0.00 0.00 33.01 33.37 2qea s GLN 65 CO 0.15 0.17 -0.02 0.12 -0.55 0.00 0.00 175.29 175.17 2qea s PHE 66 N -0.05 1.20 -0.17 1.67 5.36 -0.66 -1.27 117.98 124.06 2qea s PHE 66 Ca 0.01 -0.72 -0.05 0.00 -0.96 0.00 0.00 56.93 55.21 2qea s PHE 66 Cb -0.06 -1.08 -0.03 0.00 -0.34 0.00 0.00 43.02 41.51 2qea s PHE 66 CO -0.00 -0.52 -0.01 0.08 -1.46 0.00 0.00 175.22 173.31 2qea s VAL 67 N 1.80 4.15 -0.00 3.12 1.01 -1.26 -1.39 120.40 127.82 2qea s VAL 67 Ca 0.02 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.81 2qea s VAL 67 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2qea s VAL 67 CO -0.07 0.48 -0.24 -0.69 0.00 0.00 0.00 175.10 174.58 2qea s VAL 68 N 0.42 2.25 -0.45 2.92 1.01 0.56 -4.61 120.40 122.51 2qea s VAL 68 Ca -0.02 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 60.88 2qea s VAL 68 Cb -0.14 -1.83 0.18 0.00 0.00 0.00 0.00 36.38 34.59 2qea s VAL 68 CO 0.02 0.51 0.59 -0.55 0.00 0.00 0.00 175.10 175.67 2qea s SER 69 N -0.85 -0.64 -0.28 3.32 0.15 -1.25 -1.19 113.70 112.95 2qea s SER 69 Ca 0.11 -1.59 0.02 0.00 0.70 0.00 0.00 55.95 55.19 2qea s SER 69 Cb -0.10 1.39 0.06 0.00 -1.71 0.00 0.00 66.02 65.66 2qea s SER 69 CO 0.00 -0.14 -0.07 -0.62 1.20 0.00 0.00 173.24 173.62 2qea s ASP 70 N 1.16 4.60 0.23 5.45 -1.08 -0.39 -5.00 116.67 121.64 2qea s ASP 70 Ca 0.24 -1.42 -0.00 0.00 -0.52 0.00 0.00 52.55 50.84 2qea s ASP 70 Cb -0.04 -1.60 0.22 0.00 -1.46 0.00 0.00 42.92 40.05 2qea s ASP 70 CO -0.07 -0.23 1.58 0.44 0.52 0.00 0.00 175.17 177.41 2qea h ASP 71 N 7.83 0.51 -0.99 -0.34 3.32 -1.96 -0.19 116.42 124.59 2qea h ASP 71 Ca -0.19 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.63 2qea h ASP 71 Cb 1.04 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 2qea h ASP 71 CO 0.49 0.91 0.64 1.23 -1.72 0.00 0.00 179.24 180.78 2qea h GLY 72 N 1.13 1.40 -0.83 2.75 0.00 -1.97 -3.03 103.07 102.52 2qea h GLY 72 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2qea h GLY 72 CO 0.09 0.52 -0.48 1.18 0.00 0.00 0.00 176.54 177.84 2qea n GLU 73 N -4.38 1.12 -2.90 4.80 -0.58 -1.21 -5.00 120.64 112.49 2qea n GLU 73 Ca 0.12 -0.90 -0.22 0.00 -0.42 0.00 0.00 57.16 55.73 2qea n GLU 73 Cb 0.02 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.43 2qea n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qea n GLY 74 N 1.42 -0.52 3.25 0.62 0.00 -0.13 -4.86 105.19 104.97 2qea n GLY 74 Ca 0.09 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.53 2.50 -0.08 0.99 2.96 -0.94 -1.64 118.68 115.95 2qea s LEU 75 Ca 0.24 -0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2qea s LEU 75 Cb -0.11 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.02 2qea s LEU 75 CO 0.30 0.06 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.02 2qea s TYR 76 N 0.99 1.08 -0.14 5.38 2.02 -0.29 -1.26 117.35 125.12 2qea s TYR 76 Ca -0.02 -0.43 -0.16 0.00 -0.37 0.00 0.00 57.07 56.09 2qea s TYR 76 Cb -0.15 -0.97 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 2qea s TYR 76 CO -0.03 -0.37 0.45 0.00 -1.57 0.00 0.00 175.55 174.04 2qea s ALA 77 N 1.52 -1.11 -0.35 3.71 0.00 -0.33 0.28 121.76 125.46 2qea s ALA 77 Ca -0.00 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.15 2qea s ALA 77 Cb -0.13 -0.61 0.10 0.00 0.00 0.00 0.00 23.12 22.49 2qea s ALA 77 CO -0.04 -0.23 0.08 0.34 0.00 0.00 0.00 175.76 175.91 2qea s ASP 78 N -0.02 4.83 -0.16 0.00 2.15 -0.91 -0.32 116.67 122.24 2qea s ASP 78 Ca -0.02 -2.16 -0.07 0.00 0.43 0.00 0.00 52.55 50.73 2qea s ASP 78 Cb -0.03 -1.66 -0.04 0.00 -0.30 0.00 0.00 42.92 40.89 2qea s ASP 78 CO 0.02 -0.40 0.08 -0.76 -0.17 0.00 0.00 175.17 173.94 2qea s LEU 79 N 0.91 3.98 -0.10 -1.34 1.43 -0.49 -2.47 118.68 120.61 2qea s LEU 79 Ca 0.11 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.31 2qea s LEU 79 Cb -0.20 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2qea s LEU 79 CO -0.07 0.25 0.22 -1.81 0.23 0.00 0.00 176.35 175.16 2qea s ASP 80 N -0.06 6.49 0.00 2.29 1.11 0.14 -1.65 116.67 124.99 2qea s ASP 80 Ca 0.08 0.59 0.00 0.00 0.18 0.00 0.00 52.55 53.40 2qea s ASP 80 Cb -0.12 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.74 2qea s ASP 80 CO 0.01 0.35 0.00 0.61 1.18 0.00 0.00 175.17 177.32 2qea n GLY 81 N 2.13 2.70 2.94 0.21 0.00 -0.45 0.10 105.19 112.82 2qea n GLY 81 Ca -0.18 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.19 1.02 -0.20 2.61 2.01 -0.76 -1.20 115.64 116.92 2qea s THR 82 Ca 0.00 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 2qea s THR 82 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2qea s THR 82 CO 0.00 0.35 0.10 -0.22 -0.69 0.00 0.00 174.62 174.16 2qea s LEU 83 N 1.29 3.97 0.08 4.42 2.96 -0.18 -1.44 118.68 129.79 2qea s LEU 83 Ca -0.03 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2qea s LEU 83 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2qea s LEU 83 CO -0.03 0.14 0.05 -1.83 -1.32 0.00 0.00 176.35 173.36 2qea s GLU 84 N 0.58 0.77 -0.10 1.98 -1.05 -0.32 -1.51 118.70 119.04 2qea s GLU 84 Ca 0.06 -1.22 -0.23 0.00 -0.15 0.00 0.00 54.97 53.42 2qea s GLU 84 Cb -0.12 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2qea s GLU 84 CO 0.01 -0.20 0.71 0.50 0.95 0.00 0.00 175.26 177.23 2qea s ARG 85 N -3.94 4.38 -0.06 -4.83 3.52 -1.26 -0.31 118.95 116.45 2qea s ARG 85 Ca 0.11 0.87 0.01 0.00 -0.13 0.00 0.00 55.73 56.59 2qea s ARG 85 Cb 0.07 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 2qea s ARG 85 CO -0.07 -0.05 -0.07 0.45 -0.81 0.00 0.00 175.30 174.76 2qea s SER 86 N 0.92 4.63 -0.24 -2.12 0.15 0.19 -4.92 113.70 112.30 2qea s SER 86 Ca 0.36 -0.04 0.13 0.00 0.70 0.00 0.00 55.95 57.09 2qea s SER 86 Cb -0.17 -1.15 0.54 0.00 -1.71 0.00 0.00 66.02 63.53 2qea s SER 86 CO 0.16 0.35 1.48 0.35 1.20 0.00 0.00 173.24 176.78 2qea n THR 87 N 2.11 2.47 -2.66 6.45 -2.24 -1.26 -4.36 114.28 114.80 2qea n THR 87 Ca -0.17 -2.23 -0.43 0.00 -2.27 0.00 0.00 64.05 58.95 2qea n THR 87 Cb 0.53 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.12 6.58 0.21 3.42 2.15 -1.26 -4.92 116.67 120.73 2qea s ASP 88 Ca 0.44 0.33 -0.04 0.00 0.43 0.00 0.00 52.55 53.72 2qea s ASP 88 Cb 0.38 -2.52 0.18 0.00 -0.30 0.00 0.00 42.92 40.65 2qea s ASP 88 CO 0.05 -1.23 1.60 0.08 -0.17 0.00 0.00 175.17 175.50 2qea h ARG 89 N 9.23 0.70 -0.51 4.34 0.11 -1.99 -2.34 114.38 123.92 2qea h ARG 89 Ca -0.23 -0.32 -0.10 0.00 0.10 0.00 0.00 59.98 59.42 2qea h ARG 89 Cb 1.06 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.11 2qea h ARG 89 CO 1.11 0.93 -0.09 0.93 0.10 0.00 0.00 179.97 182.95 2qea h GLU 90 N 0.59 0.93 -0.24 0.08 3.07 -1.99 -1.79 114.58 115.23 2qea h GLU 90 Ca 0.06 -0.32 -0.15 0.00 -0.50 0.00 0.00 59.36 58.46 2qea h GLU 90 Cb 0.84 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 2qea h GLU 90 CO 0.07 0.98 -0.42 0.00 -1.40 0.00 0.00 179.01 178.23 2qea h ALA 91 N 1.05 0.38 -0.37 3.43 0.00 -1.98 -2.24 119.26 119.53 2qea h ALA 91 Ca 0.14 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2qea h ALA 91 Cb 0.62 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2qea h ALA 91 CO 0.04 0.50 0.22 1.25 0.00 0.00 0.00 179.25 181.26 2qea h LEU 92 N 0.44 0.35 -0.99 0.00 5.85 -1.37 -2.19 115.31 117.39 2qea h LEU 92 Ca 0.02 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2qea h LEU 92 Cb 1.02 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2qea h LEU 92 CO 0.10 0.25 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.58 2qea h ASP 93 N 0.44 0.61 -0.05 1.25 3.58 -1.36 -2.46 116.42 118.43 2qea h ASP 93 Ca 0.15 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2qea h ASP 93 Cb 0.01 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 2qea h ASP 93 CO -0.07 0.74 0.00 -0.08 -2.88 0.00 0.00 179.24 176.95 2qea h GLU 94 N 0.58 0.08 -0.29 0.28 4.81 -1.10 -3.25 114.58 115.68 2qea h GLU 94 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2qea h GLU 94 Cb 0.50 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2qea h GLU 94 CO 0.03 0.34 0.00 1.19 -0.73 0.00 0.00 179.01 179.83 2qea n PHE 95 N -4.90 0.38 -2.55 0.92 3.72 -0.85 -4.91 117.46 109.26 2qea n PHE 95 Ca -0.07 -0.19 -0.38 0.00 -0.05 0.00 0.00 57.45 56.76 2qea n PHE 95 Cb 0.17 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.62 3.43 0.23 1.38 -0.11 -0.93 -5.01 118.94 116.31 2qea s TRP 96 Ca 0.30 1.69 -0.06 0.00 1.22 0.00 0.00 56.10 59.24 2qea s TRP 96 Cb 0.16 -3.15 -0.02 0.00 -1.50 0.00 0.00 33.47 28.96 2qea s TRP 96 CO 0.23 -0.48 0.30 -1.54 -4.62 0.00 0.00 176.95 170.84 2qea s SER 97 N -1.35 0.10 0.29 5.86 1.04 -1.26 -5.04 113.70 113.34 2qea s SER 97 Ca 0.52 -1.20 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 2qea s SER 97 Cb -0.25 0.48 0.42 0.00 0.10 0.00 0.00 66.02 66.77 2qea s SER 97 CO 0.31 -0.99 1.90 0.15 0.98 0.00 0.00 173.24 175.59 2qea h PHE 98 N 2.43 0.97 0.01 5.02 3.57 -1.98 -0.42 116.94 126.54 2qea h PHE 98 Ca -0.31 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 2qea h PHE 98 Cb 1.25 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2qea h PHE 98 CO 0.44 0.69 -0.01 0.28 -2.23 0.00 0.00 178.31 177.48 2qea h VAL 99 N 0.98 1.23 -0.65 1.41 2.07 -2.01 -2.95 116.25 116.34 2qea h VAL 99 Ca 0.24 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2qea h VAL 99 Cb 0.07 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2qea h VAL 99 CO -0.03 0.19 0.34 0.00 0.02 0.00 0.00 177.57 178.09 2qea h ALA 100 N 0.64 1.39 0.00 1.67 0.00 -1.93 -2.59 119.26 118.44 2qea h ALA 100 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2qea h ALA 100 Cb 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qea h ALA 100 CO 0.00 0.50 -0.13 0.22 0.00 0.00 0.00 179.25 179.84 2qea h ASP 101 N 0.90 0.00 0.20 0.00 3.58 -1.04 -2.87 116.42 117.19 2qea h ASP 101 Ca 0.23 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 2qea h ASP 101 Cb 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2qea h ASP 101 CO -0.04 0.13 -0.12 0.00 -2.88 0.00 0.00 179.24 176.34 2qea h ALA 102 N 1.87 1.55 0.00 -0.78 0.00 -1.28 -2.87 119.26 117.75 2qea h ALA 102 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qea h ALA 102 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qea h ALA 102 CO 0.02 0.14 -0.15 0.91 0.00 0.00 0.00 179.25 180.17 2qea n TRP 103 N -4.02 0.09 -4.45 0.00 7.02 -1.08 -4.87 117.44 110.13 2qea n TRP 103 Ca -0.02 0.03 -0.21 0.00 -1.02 0.00 0.00 57.50 56.28 2qea n TRP 103 Cb 0.20 -0.47 -0.15 0.00 -2.42 0.00 0.00 31.31 28.46 2qea n TRP 103 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2qea s PHE 104 N -3.01 1.02 -0.05 -5.99 0.08 -1.08 -5.07 117.98 103.87 2qea s PHE 104 Ca 0.13 -0.23 -0.25 0.00 0.12 0.00 0.00 56.93 56.69 2qea s PHE 104 Cb 0.18 -0.69 -0.22 0.00 -0.57 0.00 0.00 43.02 41.72 2qea s PHE 104 CO 0.59 -0.07 1.10 -0.44 -0.10 0.00 0.00 175.22 176.29 2qea h ASP 105 N 6.19 0.12 -0.26 1.36 3.32 -1.89 -3.36 116.42 121.89 2qea h ASP 105 Ca -0.33 -0.68 -0.08 0.00 0.02 0.00 0.00 57.03 55.96 2qea h ASP 105 Cb 1.17 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 2qea h ASP 105 CO 0.49 0.78 0.11 0.61 -1.72 0.00 0.00 179.24 179.51 2qea n GLY 106 N 0.76 2.41 7.00 2.75 0.00 -1.26 -5.04 105.19 111.81 2qea n GLY 106 Ca -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.08 -0.51 0.25 -0.02 0.00 -1.26 -3.70 105.19 100.03 2qea n GLY 107 Ca 0.15 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.66 1.61 3.07 -1.96 -3.10 115.11 113.07 2qea h GLN 108 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 58.65 58.01 2qea h GLN 108 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 27.27 2qea h GLN 108 CO 0.00 0.14 0.88 0.72 0.09 0.00 0.00 178.83 180.66 2qea n HIS 109 N -3.36 3.07 -3.52 0.06 8.25 -1.25 -4.89 115.22 113.58 2qea n HIS 109 Ca -0.00 -2.56 -0.37 0.00 -0.26 0.00 0.00 57.72 54.52 2qea n HIS 109 Cb 0.34 -1.19 -0.06 0.00 1.12 0.00 0.00 29.99 30.20 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 -1.48 6.61 0.59 0.41 -1.08 -1.17 -4.96 116.67 115.59 2qea s ASP 110 Ca 0.55 0.73 0.29 0.00 -0.52 0.00 0.00 52.55 53.60 2qea s ASP 110 Cb 0.46 -2.21 1.55 0.00 -1.46 0.00 0.00 42.92 41.25 2qea s ASP 110 CO -0.28 0.20 1.97 -0.65 0.52 0.00 0.00 175.17 176.93 2qea h PRO 111 N 5.78 0.00 0.00 4.34 0.11 -1.92 -2.25 132.00 138.06 2qea h PRO 111 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qea h PRO 111 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2qea h PRO 111 CO 0.69 0.00 -0.20 -0.25 -0.21 0.00 0.00 178.00 178.03 2qea n ASP 112 N -3.72 0.23 -4.74 -2.05 9.92 -1.26 -4.92 116.55 110.02 2qea n ASP 112 Ca 0.05 0.22 -0.41 0.00 -0.53 0.00 0.00 54.79 54.13 2qea n ASP 112 Cb 0.53 -0.22 -0.03 0.00 -0.64 0.00 0.00 41.12 40.75 2qea n ASP 112 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2qea s VAL 113 N -3.01 3.54 -0.11 2.53 1.01 -0.85 -1.25 120.40 122.26 2qea s VAL 113 Ca 0.13 1.29 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 2qea s VAL 113 Cb 0.18 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2qea s VAL 113 CO 0.60 0.20 0.02 0.00 0.00 0.00 0.00 175.10 175.92 2qea s LEU 115 N 1.97 4.40 -0.08 0.00 2.96 -1.26 -1.52 118.68 125.15 2qea s LEU 115 Ca 0.03 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 2qea s LEU 115 Cb -0.14 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 2qea s LEU 115 CO -0.06 -0.55 0.27 -0.76 -1.32 0.00 0.00 176.35 173.93 2qea s LEU 116 N 2.49 4.40 -0.21 -0.68 1.43 0.16 -0.64 118.68 125.63 2qea s LEU 116 Ca 0.20 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2qea s LEU 116 Cb -0.15 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2qea s LEU 116 CO 0.14 0.33 -0.15 -0.75 0.23 0.00 0.00 176.35 176.15 2qea s LYS 117 N -0.82 2.81 -0.28 1.70 2.20 0.57 -1.20 119.74 124.72 2qea s LYS 117 Ca 0.19 -0.96 -0.08 0.00 -0.36 0.00 0.00 55.97 54.75 2qea s LYS 117 Cb -0.14 -2.73 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2qea s LYS 117 CO 0.08 -0.32 0.11 0.12 -0.36 0.00 0.00 175.35 174.98 2qea s PHE 118 N 1.26 3.14 -0.39 4.03 5.36 0.29 -1.18 117.98 130.49 2qea s PHE 118 Ca 0.01 -0.54 -0.12 0.00 -0.96 0.00 0.00 56.93 55.32 2qea s PHE 118 Cb -0.15 -2.29 0.04 0.00 -0.34 0.00 0.00 43.02 40.27 2qea s PHE 118 CO -0.09 -0.42 0.24 0.99 -1.46 0.00 0.00 175.22 174.47 2qea s THR 119 N 1.60 4.67 0.21 0.12 2.01 -0.52 0.08 115.64 123.80 2qea s THR 119 Ca 0.05 -0.91 -0.31 0.00 0.31 0.00 0.00 61.69 60.83 2qea s THR 119 Cb -0.16 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 2qea s THR 119 CO 0.05 -0.30 1.45 -2.84 -0.69 0.00 0.00 174.62 172.29 2qea s PRO 120 N 1.56 4.27 -0.23 4.92 0.02 -1.26 -1.83 135.00 142.45 2qea s PRO 120 Ca 0.03 2.27 -0.18 0.00 0.02 0.00 0.00 61.00 63.14 2qea s PRO 120 Cb -0.20 -3.14 -0.15 0.00 0.02 0.00 0.00 34.50 31.03 2qea s PRO 120 CO 0.07 -0.45 -0.07 0.00 -0.33 0.00 0.00 177.00 176.21 2qea n ALA 121 N 2.97 0.95 -3.78 -1.55 0.00 0.11 -4.69 120.51 114.52 2qea n ALA 121 Ca 0.09 -0.76 -0.06 0.00 0.00 0.00 0.00 53.44 52.71 2qea n ALA 121 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 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 -7.04 -0.26 0.00 0.00 1.04 -0.84 -1.19 113.70 105.40 2qea s SER 122 Ca -0.32 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2qea s SER 122 Cb 0.09 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2qea s SER 122 CO 0.52 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2qea n GLY 123 N -0.45 0.81 3.54 7.32 0.00 -0.59 0.25 105.19 116.06 2qea n GLY 123 Ca -0.06 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 3.52 -0.03 1.61 2.12 -1.03 -0.53 118.70 122.36 2qea s GLU 124 Ca 0.00 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 54.99 2qea s GLU 124 Cb 0.00 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 2qea s GLU 124 CO 0.00 -0.60 -0.17 0.42 -0.54 0.00 0.00 175.26 174.37 2qea s ILE 125 N 2.13 2.80 -0.12 -3.70 1.01 -0.03 -2.15 121.20 121.15 2qea s ILE 125 Ca 0.14 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2qea s ILE 125 Cb -0.16 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.24 2qea s ILE 125 CO 0.12 0.56 -0.16 -0.44 0.00 0.00 0.00 174.94 175.02 2qea s SER 126 N -0.78 2.60 -0.23 3.58 0.01 0.14 -1.52 113.70 117.51 2qea s SER 126 Ca 0.11 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2qea s SER 126 Cb -0.10 -1.17 0.06 0.00 0.21 0.00 0.00 66.02 65.02 2qea s SER 126 CO 0.01 0.01 -0.05 -0.63 0.41 0.00 0.00 173.24 172.99 2qea s ILE 127 N 1.05 1.41 0.52 1.44 1.01 -0.37 -1.14 121.20 125.13 2qea s ILE 127 Ca -0.05 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.30 2qea s ILE 127 Cb -0.15 -1.69 -0.07 0.00 0.01 0.00 0.00 42.46 40.57 2qea s ILE 127 CO -0.03 -0.09 1.06 0.42 0.00 0.00 0.00 174.94 176.30 2qea s THR 128 N 1.45 3.67 0.18 2.92 -4.23 -0.65 -1.59 115.64 117.40 2qea s THR 128 Ca -0.05 0.98 0.10 0.00 -1.18 0.00 0.00 61.69 61.54 2qea s THR 128 Cb -0.18 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 2qea s THR 128 CO -0.07 -0.28 -0.21 -1.61 -0.54 0.00 0.00 174.62 171.91 2qea s GLU 129 N -3.44 1.40 0.00 3.99 0.41 -1.26 -4.79 118.70 115.01 2qea s GLU 129 Ca 0.67 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 2qea s GLU 129 Cb -0.18 -1.60 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 2qea s GLU 129 CO 0.25 0.34 0.00 0.41 -0.49 0.00 0.00 175.26 175.77 2qea n GLY 130 N 0.28 0.73 7.00 -1.39 0.00 -1.26 -4.74 105.19 105.81 2qea n GLY 130 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.01 0.58 0.26 -0.02 0.00 -1.26 -2.91 105.19 99.83 2qea n GLY 131 Ca 0.00 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 0.93 -0.02 0.00 -1.99 -3.03 103.07 98.96 2qea h GLY 132 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2qea h GLY 132 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.56 2qea h ALA 133 N 1.87 0.50 -0.19 3.60 0.00 -1.96 -2.68 119.26 120.40 2qea h ALA 133 Ca -0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2qea h ALA 133 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qea h ALA 133 CO 0.02 0.25 -0.45 -0.09 0.00 0.00 0.00 179.25 178.97 2qea h ARG 134 N 0.47 0.48 -0.02 0.00 2.43 -1.43 -2.62 114.38 113.69 2qea h ARG 134 Ca 0.11 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2qea h ARG 134 Cb 0.43 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2qea h ARG 134 CO 0.01 0.84 -0.08 0.35 -1.51 0.00 0.00 179.97 179.59 2qea h PHE 135 N 0.39 -0.20 -0.46 2.20 3.57 -1.48 0.25 116.94 121.20 2qea h PHE 135 Ca 0.03 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2qea h PHE 135 Cb 0.95 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2qea h PHE 135 CO 0.03 -0.12 0.25 -0.07 -2.23 0.00 0.00 178.31 176.17 2qea h LEU 136 N -0.13 0.39 0.07 0.59 4.07 -1.46 -2.15 115.31 116.69 2qea h LEU 136 Ca 0.04 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 2qea h LEU 136 Cb 0.18 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.86 2qea h LEU 136 CO -0.10 0.28 -0.04 0.22 -1.08 0.00 0.00 178.44 177.72 2qea h TYR 137 N 0.51 -0.09 -0.97 1.13 3.20 -1.26 -2.28 116.97 117.21 2qea h TYR 137 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2qea h TYR 137 Cb 0.06 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 2qea h TYR 137 CO -0.09 0.06 0.62 0.93 -1.64 0.00 0.00 178.16 178.04 2qea h GLU 138 N -0.22 1.30 0.19 1.82 4.39 -0.41 0.10 114.58 121.75 2qea h GLU 138 Ca -0.01 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2qea h GLU 138 Cb 0.19 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2qea h GLU 138 CO 0.02 0.88 -0.09 0.82 -1.16 0.00 0.00 179.01 179.47 2qea h ILE 139 N 1.33 0.90 -0.53 3.13 1.08 -1.42 -1.70 117.51 120.30 2qea h ILE 139 Ca 0.35 -0.87 0.04 0.00 -0.39 0.00 0.00 64.86 63.99 2qea h ILE 139 Cb -0.11 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 2qea h ILE 139 CO -0.07 0.18 0.28 0.00 -0.69 0.00 0.00 178.15 177.85 2qea h ALA 140 N -0.06 0.68 0.00 1.87 0.00 -1.32 -1.97 119.26 118.46 2qea h ALA 140 Ca -0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2qea h ALA 140 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2qea h ALA 140 CO 0.04 -0.06 -0.29 -0.22 0.00 0.00 0.00 179.25 178.72 2qea h LYS 141 N 0.54 0.00 -0.33 0.00 3.11 -0.86 -2.64 116.57 116.38 2qea h LYS 141 Ca 0.23 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.01 2qea h LYS 141 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 2qea h LYS 141 CO -0.15 0.29 -0.01 0.00 -2.81 0.00 0.00 179.45 176.76 2qea h ALA 142 N 1.71 0.45 0.00 5.00 0.00 -0.55 -1.33 119.26 124.54 2qea h ALA 142 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2qea h ALA 142 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qea h ALA 142 CO 0.04 0.22 -0.26 0.45 0.00 0.00 0.00 179.25 179.70 2qea h HIS 143 N 0.40 0.00 0.00 0.00 3.86 -1.32 -1.79 115.15 116.30 2qea h HIS 143 Ca 0.09 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 2qea h HIS 143 Cb 0.47 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 2qea h HIS 143 CO 0.04 0.26 -0.97 -0.07 0.86 0.00 0.00 177.93 178.05 2qea h LEU 144 N 0.00 0.00 -0.75 2.43 3.38 -1.33 -3.42 115.31 115.62 2qea h LEU 144 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qea h LEU 144 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2qea h LEU 144 CO 0.03 0.41 0.00 0.35 0.09 0.00 0.00 178.44 179.32 2qea n THR 145 N -2.97 0.09 -1.52 0.22 -2.24 -0.51 -5.03 114.28 102.32 2qea n THR 145 Ca -0.03 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 2qea n THR 145 Cb 0.73 1.38 -0.07 0.00 -2.10 0.00 0.00 70.33 70.27 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 -0.04 -5.06 -4.80 3.42 10.43 -0.67 -5.00 116.55 114.82 2qea n ASP 146 Ca 0.00 0.41 -0.38 0.00 2.57 0.00 0.00 54.79 57.39 2qea n ASP 146 Cb 0.18 -4.06 -0.06 0.00 1.84 0.00 0.00 41.12 39.02 2qea n ASP 146 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2qea s GLU 147 N -3.49 4.15 0.12 -1.24 2.02 -1.25 -5.05 118.70 113.97 2qea s GLU 147 Ca 0.00 0.60 -0.31 0.00 0.02 0.00 0.00 54.97 55.29 2qea s GLU 147 Cb 0.00 -3.27 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 2qea s GLU 147 CO 0.00 0.56 1.35 0.99 0.02 0.00 0.00 175.26 178.18 2qea s THR 148 N -0.76 3.40 0.19 3.63 2.01 -1.26 -4.35 115.64 118.50 2qea s THR 148 Ca 0.27 1.03 -0.33 0.00 0.31 0.00 0.00 61.69 62.97 2qea s THR 148 Cb -0.18 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.55 2qea s THR 148 CO 0.16 0.09 1.68 -2.65 -0.69 0.00 0.00 174.62 173.22 2qea n PRO 149 N 3.71 2.57 -4.18 4.92 -0.02 -1.26 -5.03 135.00 135.70 2qea n PRO 149 Ca 0.10 0.93 -0.26 0.00 -2.02 0.00 0.00 63.50 62.25 2qea n PRO 149 Cb 0.43 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 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 1.18 4.91 0.00 2.55 2.15 -1.26 -5.11 116.67 121.09 2qea s ASP 150 Ca 0.77 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.39 2qea s ASP 150 Cb -0.56 -1.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.96 2qea s ASP 150 CO 0.34 0.08 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 2qea n GLY 152 N -0.22 1.19 3.50 2.66 0.00 -1.26 -4.97 105.19 106.09 2qea n GLY 152 Ca -0.09 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 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 1.52 1.87 -0.03 1.61 8.01 -0.62 -4.95 118.70 126.10 2qea s GLU 153 Ca 0.00 -1.13 -0.01 0.00 0.01 0.00 0.00 54.97 53.84 2qea s GLU 153 Cb 0.00 -2.15 0.03 0.00 -4.31 0.00 0.00 34.13 27.70 2qea s GLU 153 CO 0.00 0.49 0.06 -1.14 0.01 0.00 0.00 175.26 174.68 2qea s GLN 154 N -2.05 -0.03 0.08 1.61 0.74 -1.26 -1.23 119.66 117.52 2qea s GLN 154 Ca 0.18 0.27 -0.26 0.00 0.05 0.00 0.00 55.36 55.60 2qea s GLN 154 Cb -0.11 -0.30 0.08 0.00 1.10 0.00 0.00 33.01 33.79 2qea s GLN 154 CO 0.10 -0.21 0.70 0.00 -0.55 0.00 0.00 175.29 175.33 2qea s ALA 155 N 1.36 -1.69 -0.34 1.58 0.00 -0.58 -5.02 121.76 117.07 2qea s ALA 155 Ca -0.06 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 2qea s ALA 155 Cb -0.13 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2qea s ALA 155 CO -0.03 -0.70 0.47 0.99 0.00 0.00 0.00 175.76 176.48 2qea s THR 156 N -3.27 5.06 0.02 0.00 2.01 -1.26 -0.85 115.64 117.35 2qea s THR 156 Ca 0.01 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.30 2qea s THR 156 Cb -0.01 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2qea s THR 156 CO -0.09 -0.17 0.01 -0.69 -0.69 0.00 0.00 174.62 172.99 2qea s VAL 157 N 2.27 4.18 -0.25 3.82 1.01 0.31 -4.97 120.40 126.77 2qea s VAL 157 Ca 0.17 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2qea s VAL 157 Cb -0.16 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2qea s VAL 157 CO 0.13 0.32 -0.01 -0.89 0.00 0.00 0.00 175.10 174.65 2qea s THR 158 N -1.14 3.42 -2.00 3.92 2.01 -1.26 -1.55 115.64 119.04 2qea s THR 158 Ca 0.21 -0.69 0.28 0.00 0.31 0.00 0.00 61.69 61.81 2qea s THR 158 Cb -0.12 -2.66 0.80 0.00 0.01 0.00 0.00 72.50 70.53 2qea s THR 158 CO 0.12 0.27 2.01 0.49 -0.69 0.00 0.00 174.62 176.82