#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qea n ALA 2 N 0.00 0.00 -0.23 4.61 0.00 -1.26 -2.63 120.51 121.00 2qea n ALA 2 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2qea n ALA 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2qea n ALA 2 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qea h ASP 3 N 0.00 1.00 0.18 0.00 3.45 -2.05 -0.44 116.42 118.56 2qea h ASP 3 Ca 0.00 -0.25 -0.12 0.00 0.43 0.00 0.00 57.03 57.09 2qea h ASP 3 Cb 0.00 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 2qea h ASP 3 CO 0.00 0.99 -0.45 0.25 -1.57 0.00 0.00 179.24 178.46 2qea h LEU 4 N 0.96 0.35 -0.12 1.55 6.46 -1.94 -2.26 115.31 120.31 2qea h LEU 4 Ca 0.20 -0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 2qea h LEU 4 Cb 0.41 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2qea h LEU 4 CO 0.01 0.76 -0.02 0.74 -0.62 0.00 0.00 178.44 179.31 2qea h THR 5 N 0.27 1.28 -0.79 1.05 2.02 -1.79 -2.16 112.91 112.79 2qea h THR 5 Ca 0.02 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.31 2qea h THR 5 Cb 0.91 1.65 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 2qea h THR 5 CO 0.07 0.27 0.49 0.45 0.37 0.00 0.00 175.52 177.17 2qea h HIS 6 N -0.07 0.90 -0.03 3.16 3.86 -1.05 -2.47 115.15 119.45 2qea h HIS 6 Ca 0.03 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 2qea h HIS 6 Cb 0.43 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2qea h HIS 6 CO 0.05 0.47 -0.37 1.49 0.86 0.00 0.00 177.93 180.43 2qea h GLU 7 N 0.91 0.07 0.28 2.45 4.57 -1.38 -0.89 114.58 120.59 2qea h GLU 7 Ca 0.34 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 2qea h GLU 7 Cb 0.13 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2qea h GLU 7 CO -0.16 0.43 -0.13 0.35 -1.18 0.00 0.00 179.01 178.32 2qea h PHE 8 N 0.06 -0.35 -0.21 0.92 3.57 -0.92 -1.72 116.94 118.29 2qea h PHE 8 Ca 0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2qea h PHE 8 Cb 0.68 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2qea h PHE 8 CO 0.00 -0.18 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.27 2qea h TRP 9 N -0.43 0.37 -0.09 0.41 4.06 -1.39 -0.57 115.95 118.32 2qea h TRP 9 Ca -0.04 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.86 2qea h TRP 9 Cb 0.33 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 2qea h TRP 9 CO -0.04 0.49 0.05 0.22 -3.56 0.00 0.00 178.44 175.60 2qea h ASP 10 N 0.33 0.08 1.09 -3.49 3.58 -1.02 -3.26 116.42 113.73 2qea h ASP 10 Ca 0.06 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 2qea h ASP 10 Cb 0.45 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2qea h ASP 10 CO 0.03 0.06 -0.96 0.03 -2.88 0.00 0.00 179.24 175.52 2qea h ARG 11 N 0.11 0.00 -0.13 0.28 3.08 -1.16 -3.37 114.38 113.19 2qea h ARG 11 Ca 0.03 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2qea h ARG 11 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2qea h ARG 11 CO -0.02 0.34 0.12 1.25 -1.07 0.00 0.00 179.97 180.59 2qea h LEU 12 N 0.00 0.00 -0.55 3.04 5.85 -1.14 -2.74 115.31 119.77 2qea h LEU 12 Ca -0.08 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2qea h LEU 12 Cb 1.43 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 2qea h LEU 12 CO 0.05 0.00 0.30 -0.33 -0.34 0.00 0.00 178.44 178.12 2qea h GLU 13 N 0.00 0.57 0.00 1.25 5.08 -1.73 -2.56 114.58 117.19 2qea h GLU 13 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2qea h GLU 13 Cb 0.30 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2qea h GLU 13 CO -0.00 0.38 0.00 -0.25 -1.00 0.00 0.00 179.01 178.14 2qea n ASP 14 N -4.83 0.00 -4.61 1.42 9.92 -1.03 -4.76 116.55 112.65 2qea n ASP 14 Ca 0.05 -0.44 -0.43 0.00 -0.53 0.00 0.00 54.79 53.45 2qea n ASP 14 Cb 0.12 -0.18 -0.02 0.00 -0.64 0.00 0.00 41.12 40.40 2qea n ASP 14 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2qea s VAL 15 N -2.36 4.34 0.20 2.53 1.01 -0.97 -4.93 120.40 120.22 2qea s VAL 15 Ca 0.35 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2qea s VAL 15 Cb 0.20 -4.52 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 2qea s VAL 15 CO 0.41 -0.81 1.49 0.08 0.00 0.00 0.00 175.10 176.28 2qea h ARG 16 N 8.83 0.38 -4.90 2.72 -0.00 -1.87 -3.42 114.38 116.13 2qea h ARG 16 Ca -0.22 -0.28 -0.29 0.00 -0.00 0.00 0.00 59.98 59.18 2qea h ARG 16 Cb 1.06 0.05 -0.16 0.00 -0.00 0.00 0.00 29.97 30.92 2qea h ARG 16 CO 1.08 0.90 -0.72 -1.12 -0.00 0.00 0.00 179.97 180.12 2qea s SER 17 N -6.93 1.45 0.00 0.08 0.01 -1.26 -4.17 113.70 102.87 2qea s SER 17 Ca -0.05 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2qea s SER 17 Cb 0.11 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2qea s SER 17 CO 0.83 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.75 2qea n GLY 18 N 0.22 3.38 0.00 3.44 0.00 -1.26 -4.76 105.19 106.21 2qea n GLY 18 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.59 0.99 7.94 -0.37 -4.28 117.00 117.69 2qea n LEU 20 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 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 0.95 -0.83 -1.11 0.00 0.00 177.39 176.40 2qea s GLY 21 N 0.00 -0.21 -0.04 -3.96 0.00 -0.60 -1.61 107.32 100.90 2qea s GLY 21 Ca 0.00 1.98 -0.19 0.00 0.00 0.00 0.00 44.72 46.51 2qea s GLY 21 CO 0.00 0.81 0.52 -0.42 0.00 0.00 0.00 173.10 174.01 2qea s ILE 22 N -1.75 5.01 0.19 0.90 1.01 -1.26 -0.40 121.20 124.91 2qea s ILE 22 Ca 0.06 1.08 -0.31 0.00 0.00 0.00 0.00 60.65 61.47 2qea s ILE 22 Cb -0.01 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 2qea s ILE 22 CO -0.04 0.42 1.59 -0.54 0.00 0.00 0.00 174.94 176.37 2qea s LYS 23 N -0.12 4.20 -0.29 2.79 1.02 -0.38 -2.51 119.74 124.44 2qea s LYS 23 Ca 0.28 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.69 2qea s LYS 23 Cb -0.17 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2qea s LYS 23 CO 0.14 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 2qea n GLY 24 N 3.50 0.59 2.63 -3.33 0.00 -1.26 -4.95 105.19 102.36 2qea n GLY 24 Ca 0.13 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.49 0.56 2.88 1.61 -0.21 -1.05 -5.11 119.66 116.86 2qea s GLN 25 Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.37 2qea s GLN 25 Cb 0.00 -1.64 0.00 0.00 1.00 0.00 0.00 33.01 32.37 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 4.75 0.34 3.85 3.09 0.00 -1.26 -4.44 105.19 111.52 2qea n GLY 26 Ca -0.00 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 2.48 0.27 1.61 0.52 -1.26 -4.99 118.95 117.58 2qea s ARG 27 Ca 0.00 -1.59 -0.29 0.00 -0.52 0.00 0.00 55.73 53.33 2qea s ARG 27 Cb 0.00 -2.31 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 2qea s ARG 27 CO 0.00 -0.18 1.09 -0.51 0.02 0.00 0.00 175.30 175.72 2qea s LEU 28 N -4.09 4.56 0.14 2.53 1.43 -1.26 -4.82 118.68 117.16 2qea s LEU 28 Ca 0.47 2.24 0.10 0.00 -1.03 0.00 0.00 54.13 55.91 2qea s LEU 28 Cb -0.02 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2qea s LEU 28 CO 0.27 -0.12 -0.23 0.27 0.23 0.00 0.00 176.35 176.77 2qea s ILE 29 N -1.12 2.01 0.80 -0.59 -4.36 -0.64 -4.87 121.20 112.43 2qea s ILE 29 Ca 0.44 -1.78 -0.11 0.00 -0.26 0.00 0.00 60.65 58.94 2qea s ILE 29 Cb -0.31 -1.85 0.07 0.00 1.25 0.00 0.00 42.46 41.61 2qea s ILE 29 CO 0.40 -0.09 1.09 -2.16 0.24 0.00 0.00 174.94 174.42 2qea s PRO 30 N -2.30 2.06 -0.29 0.37 0.04 -1.26 -1.23 135.00 132.39 2qea s PRO 30 Ca 0.13 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 2qea s PRO 30 Cb -0.09 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2qea s PRO 30 CO 0.06 -1.76 0.07 -1.12 0.04 0.00 0.00 177.00 174.29 2qea s SER 32 N -3.40 3.86 0.12 6.66 0.01 -1.26 -4.92 113.70 114.77 2qea s SER 32 Ca 0.62 -1.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.09 2qea s SER 32 Cb -0.17 -0.88 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 2qea s SER 32 CO 0.56 -0.38 1.19 -2.16 0.41 0.00 0.00 173.24 172.86 2qea s PRO 33 N 1.61 4.47 -0.21 12.44 0.04 -1.26 -4.61 135.00 147.48 2qea s PRO 33 Ca 0.07 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2qea s PRO 33 Cb -0.17 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.08 2qea s PRO 33 CO -0.20 -0.16 -0.12 -0.65 0.04 0.00 0.00 177.00 175.91 2qea s GLN 34 N 0.45 3.00 0.18 4.56 -1.52 0.52 -4.88 119.66 121.96 2qea s GLN 34 Ca 0.56 -0.85 -0.02 0.00 -1.95 0.00 0.00 55.36 53.10 2qea s GLN 34 Cb -0.31 -2.80 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 2qea s GLN 34 CO 0.32 -0.27 0.13 0.95 -0.25 0.00 0.00 175.29 176.17 2qea s THR 35 N 1.33 0.03 -0.07 -0.19 -4.23 -1.26 -1.72 115.64 109.53 2qea s THR 35 Ca 0.03 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 2qea s THR 35 Cb -0.15 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.41 2qea s THR 35 CO -0.08 -0.15 0.12 -0.62 -0.54 0.00 0.00 174.62 173.35 2qea s ASP 36 N -3.11 0.82 0.00 3.99 -1.08 -1.26 -4.82 116.67 111.21 2qea s ASP 36 Ca 0.33 0.24 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 2qea s ASP 36 Cb 0.07 0.13 0.75 0.00 -1.46 0.00 0.00 42.92 42.40 2qea s ASP 36 CO 0.08 -0.24 1.51 -0.90 0.52 0.00 0.00 175.17 176.14 2qea n ASP 37 N 5.24 0.00 0.03 -0.34 5.68 -1.26 -1.87 116.55 124.03 2qea n ASP 37 Ca -0.06 0.32 -0.09 0.00 -0.50 0.00 0.00 54.79 54.47 2qea n ASP 37 Cb 0.50 -0.41 0.07 0.00 -1.14 0.00 0.00 41.12 40.13 2qea n ASP 37 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2qea h ASP 38 N 0.00 0.53 -2.36 -1.12 5.19 -1.96 -3.37 116.42 113.33 2qea h ASP 38 Ca 0.00 -0.29 -0.60 0.00 -0.62 0.00 0.00 57.03 55.52 2qea h ASP 38 Cb 0.23 -0.15 -0.41 0.00 0.18 0.00 0.00 39.33 39.17 2qea h ASP 38 CO 0.00 0.99 -0.66 0.00 -3.12 0.00 0.00 179.24 176.45 2qea n ALA 39 N -2.51 3.70 -1.70 3.45 0.00 -0.78 -5.11 120.51 117.55 2qea n ALA 39 Ca -0.03 -4.50 -0.30 0.00 0.00 0.00 0.00 53.44 48.61 2qea n ALA 39 Cb 0.62 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 19.23 2qea n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qea s PRO 40 N -2.02 2.45 0.00 0.00 0.04 -1.21 -4.59 135.00 129.66 2qea s PRO 40 Ca 0.36 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2qea s PRO 40 Cb 0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2qea s PRO 40 CO -0.06 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2qea n GLY 41 N -2.51 2.43 3.10 0.56 0.00 -1.26 -5.12 105.19 102.40 2qea n GLY 41 Ca 0.07 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.23 0.80 -0.19 4.61 0.00 -1.26 -4.12 121.76 121.37 2qea s ALA 42 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 2qea s ALA 42 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2qea s ALA 42 CO 0.00 0.07 -0.05 0.42 0.00 0.00 0.00 175.76 176.19 2qea s ILE 43 N -1.22 3.45 -0.05 0.00 1.01 0.83 -4.85 121.20 120.37 2qea s ILE 43 Ca -0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 2qea s ILE 43 Cb -0.09 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2qea s ILE 43 CO 0.01 0.45 0.10 0.26 0.00 0.00 0.00 174.94 175.76 2qea s TRP 44 N 1.08 3.38 -0.01 3.97 0.52 -0.70 -0.38 118.94 126.80 2qea s TRP 44 Ca 0.01 0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.46 2qea s TRP 44 Cb -0.15 -1.81 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 2qea s TRP 44 CO -0.00 0.60 -0.04 -0.06 0.02 0.00 0.00 176.95 177.46 2qea s PHE 45 N -1.11 0.46 -0.26 -1.98 0.08 -0.12 -0.36 117.98 114.69 2qea s PHE 45 Ca 0.20 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 57.07 2qea s PHE 45 Cb -0.12 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 41.95 2qea s PHE 45 CO 0.10 -0.05 0.11 0.42 -0.10 0.00 0.00 175.22 175.70 2qea s ILE 46 N 0.17 4.61 0.27 0.64 1.01 -1.26 -0.17 121.20 126.47 2qea s ILE 46 Ca -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2qea s ILE 46 Cb -0.05 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2qea s ILE 46 CO -0.00 0.29 0.21 0.28 0.00 0.00 0.00 174.94 175.71 2qea s THR 47 N 1.65 0.01 0.22 2.92 -1.32 -0.41 -4.95 115.64 113.77 2qea s THR 47 Ca 0.06 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.37 2qea s THR 47 Cb -0.16 -2.50 -0.08 0.00 -1.51 0.00 0.00 72.50 68.25 2qea s THR 47 CO 0.06 0.00 0.69 0.00 -2.21 0.00 0.00 174.62 173.15 2qea s ALA 48 N -3.76 3.44 0.41 11.08 0.00 -1.26 -0.84 121.76 130.83 2qea s ALA 48 Ca 0.40 0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.54 2qea s ALA 48 Cb 0.04 -2.74 0.87 0.00 0.00 0.00 0.00 23.12 21.30 2qea s ALA 48 CO 0.21 0.36 1.95 0.87 0.00 0.00 0.00 175.76 179.15 2qea h LYS 49 N 3.21 0.16 0.00 0.00 1.57 -1.07 -2.92 116.57 117.53 2qea h LYS 49 Ca -0.48 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2qea h LYS 49 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2qea h LYS 49 CO 0.65 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 180.24 2qea n GLY 50 N -0.96 -1.21 3.78 3.86 0.00 -1.26 -4.08 105.19 105.31 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 -3.01 3.25 0.21 2.61 -4.23 -1.10 -4.89 115.64 108.48 2qea s THR 51 Ca 0.10 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.95 2qea s THR 51 Cb 0.13 -3.03 0.06 0.00 1.34 0.00 0.00 72.50 71.01 2qea s THR 51 CO 0.38 -0.53 1.65 0.44 -0.54 0.00 0.00 174.62 176.02 2qea h ASP 52 N -1.12 0.92 -0.78 3.99 5.19 -1.90 -1.95 116.42 120.77 2qea h ASP 52 Ca -0.46 -0.28 -0.05 0.00 -0.62 0.00 0.00 57.03 55.62 2qea h ASP 52 Cb 1.25 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.48 2qea h ASP 52 CO 0.56 1.03 0.31 -0.07 -3.12 0.00 0.00 179.24 177.94 2qea h LEU 53 N 0.84 1.08 0.10 1.55 3.38 -1.94 0.16 115.31 120.49 2qea h LEU 53 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qea h LEU 53 Cb 0.61 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2qea h LEU 53 CO 0.04 0.96 -0.05 0.00 0.09 0.00 0.00 178.44 179.48 2qea h ALA 54 N 1.16 -0.13 -0.33 1.53 0.00 -1.77 -2.85 119.26 116.87 2qea h ALA 54 Ca 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2qea h ALA 54 Cb 0.22 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qea h ALA 54 CO -0.02 -0.42 0.00 0.87 0.00 0.00 0.00 179.25 179.68 2qea h LYS 55 N -0.44 0.51 -0.11 0.00 1.57 -1.33 -2.47 116.57 114.30 2qea h LYS 55 Ca -0.01 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2qea h LYS 55 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2qea h LYS 55 CO 0.02 0.53 -0.17 0.78 -0.57 0.00 0.00 179.45 180.05 2qea h GLY 56 N 0.82 0.20 -2.05 3.86 0.00 -0.64 -3.03 103.07 102.23 2qea h GLY 56 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2qea h GLY 56 CO 0.01 0.12 0.00 3.33 0.00 0.00 0.00 176.54 179.99 2qea n VAL 57 N -4.26 1.53 -0.10 4.60 0.24 -1.08 -4.65 118.33 114.61 2qea n VAL 57 Ca -0.01 -1.25 -0.12 0.00 -2.04 0.00 0.00 64.34 60.92 2qea n VAL 57 Cb 0.28 0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 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 2.85 0.42 -0.16 2.33 0.00 -1.32 -3.16 119.26 120.22 2qea h ALA 58 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2qea h ALA 58 Cb 1.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2qea h ALA 58 CO 0.12 0.28 -0.37 0.00 0.00 0.00 0.00 179.25 179.29 2qea h ALA 59 N 0.77 1.07 0.00 0.00 0.00 -1.83 -3.49 119.26 115.78 2qea h ALA 59 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2qea h ALA 59 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qea h ALA 59 CO 0.04 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2qea n GLY 60 N -0.21 -2.21 3.74 0.00 0.00 -1.19 -5.15 105.19 100.17 2qea n GLY 60 Ca -0.01 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.58 2.46 -4.38 1.61 -0.02 -1.26 -4.53 135.00 128.30 2qea n PRO 61 Ca 0.00 0.87 -0.20 0.00 -2.02 0.00 0.00 63.50 62.15 2qea n PRO 61 Cb 0.00 -2.56 -0.14 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 -1.46 0.92 0.27 -0.52 -1.52 -0.61 -4.99 119.66 111.75 2qea s GLN 62 Ca 0.58 -0.68 -0.31 0.00 -1.95 0.00 0.00 55.36 53.01 2qea s GLN 62 Cb -0.53 -0.91 -0.12 0.00 -0.22 0.00 0.00 33.01 31.24 2qea s GLN 62 CO 0.58 0.23 1.64 -2.30 -0.25 0.00 0.00 175.29 175.19 2qea n PRO 63 N 2.09 2.73 -4.16 2.91 -0.02 -1.26 -1.24 135.00 136.05 2qea n PRO 63 Ca -0.17 0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2qea n PRO 63 Cb 0.55 -2.78 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 2qea n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qea s ALA 64 N 0.34 0.92 -0.00 3.55 0.00 -0.49 -1.25 121.76 124.82 2qea s ALA 64 Ca 0.67 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 51.23 2qea s ALA 64 Cb -0.50 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 2qea s ALA 64 CO 0.44 -0.45 -0.21 -1.14 0.00 0.00 0.00 175.76 174.39 2qea s GLN 65 N -4.02 1.63 -0.13 0.00 0.74 0.47 -1.04 119.66 117.31 2qea s GLN 65 Ca 0.23 -0.80 -0.03 0.00 0.05 0.00 0.00 55.36 54.80 2qea s GLN 65 Cb 0.07 -1.62 0.05 0.00 1.10 0.00 0.00 33.01 32.61 2qea s GLN 65 CO 0.01 0.44 0.05 0.12 -0.55 0.00 0.00 175.29 175.36 2qea s PHE 66 N -0.57 0.51 -0.14 1.67 5.36 -0.62 -1.56 117.98 122.62 2qea s PHE 66 Ca 0.08 -0.33 -0.05 0.00 -0.96 0.00 0.00 56.93 55.68 2qea s PHE 66 Cb -0.08 -0.77 -0.03 0.00 -0.34 0.00 0.00 43.02 41.79 2qea s PHE 66 CO -0.00 -0.44 0.02 0.08 -1.46 0.00 0.00 175.22 173.42 2qea s VAL 67 N 2.03 4.43 -0.01 3.12 1.01 -1.26 -1.55 120.40 128.17 2qea s VAL 67 Ca 0.02 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2qea s VAL 67 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2qea s VAL 67 CO -0.07 0.52 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 2qea s VAL 68 N -0.05 1.74 -0.29 2.92 1.01 0.73 -4.63 120.40 121.82 2qea s VAL 68 Ca 0.04 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2qea s VAL 68 Cb -0.13 -1.45 0.17 0.00 0.00 0.00 0.00 36.38 34.97 2qea s VAL 68 CO 0.02 0.44 0.45 -0.55 0.00 0.00 0.00 175.10 175.46 2qea s SER 69 N -0.64 -0.09 -0.18 3.32 0.15 -1.25 -1.22 113.70 113.79 2qea s SER 69 Ca 0.08 -0.26 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 2qea s SER 69 Cb -0.09 1.32 0.05 0.00 -1.71 0.00 0.00 66.02 65.60 2qea s SER 69 CO -0.00 -0.34 0.00 -0.62 1.20 0.00 0.00 173.24 173.48 2qea s ASP 70 N 2.60 2.93 0.16 5.45 -1.08 -0.60 -5.03 116.67 121.10 2qea s ASP 70 Ca 0.10 -0.78 -0.07 0.00 -0.52 0.00 0.00 52.55 51.27 2qea s ASP 70 Cb -0.12 -0.74 0.01 0.00 -1.46 0.00 0.00 42.92 40.61 2qea s ASP 70 CO -0.29 -0.26 1.45 0.44 0.52 0.00 0.00 175.17 177.03 2qea h ASP 71 N 8.18 0.79 -0.87 -0.34 3.32 -1.96 0.20 116.42 125.75 2qea h ASP 71 Ca -0.18 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.48 2qea h ASP 71 Cb 1.11 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 2qea h ASP 71 CO 0.35 1.19 0.55 1.23 -1.72 0.00 0.00 179.24 180.85 2qea h GLY 72 N 0.88 1.28 0.50 2.75 0.00 -1.95 -2.97 103.07 103.56 2qea h GLY 72 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2qea h GLY 72 CO 0.12 0.31 -1.54 1.18 0.00 0.00 0.00 176.54 176.61 2qea n GLU 73 N -4.58 0.63 -2.98 4.80 -0.58 -1.24 -4.77 120.64 111.93 2qea n GLU 73 Ca 0.12 -0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.70 2qea n GLU 73 Cb 0.14 -1.68 0.04 0.00 -0.57 0.00 0.00 31.44 29.37 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 1.26 0.05 3.21 0.62 0.00 0.66 -4.73 105.19 106.25 2qea n GLY 74 Ca -0.04 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.47 2.61 -0.06 0.99 2.96 -0.91 -0.97 118.68 118.83 2qea s LEU 75 Ca 0.28 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2qea s LEU 75 Cb -0.12 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.96 2qea s LEU 75 CO 0.35 -0.03 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.92 2qea s TYR 76 N 1.37 1.44 -0.28 5.38 2.02 -0.63 -1.55 117.35 125.10 2qea s TYR 76 Ca 0.04 -0.51 -0.19 0.00 -0.37 0.00 0.00 57.07 56.05 2qea s TYR 76 Cb -0.14 -1.04 0.08 0.00 -0.40 0.00 0.00 41.96 40.46 2qea s TYR 76 CO -0.08 -0.25 0.72 0.00 -1.57 0.00 0.00 175.55 174.37 2qea s ALA 77 N 0.57 -1.87 -0.33 3.71 0.00 -0.35 -0.05 121.76 123.44 2qea s ALA 77 Ca -0.13 2.28 -0.05 0.00 0.00 0.00 0.00 51.96 54.06 2qea s ALA 77 Cb -0.15 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.65 2qea s ALA 77 CO 0.03 -0.36 0.08 0.34 0.00 0.00 0.00 175.76 175.85 2qea s ASP 78 N 1.20 5.23 -0.11 0.00 2.15 -0.96 -0.19 116.67 123.98 2qea s ASP 78 Ca -0.07 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.74 2qea s ASP 78 Cb -0.05 -1.84 -0.02 0.00 -0.30 0.00 0.00 42.92 40.71 2qea s ASP 78 CO -0.13 -0.31 -0.10 -0.76 -0.17 0.00 0.00 175.17 173.69 2qea s LEU 79 N 1.37 2.90 -0.05 -1.34 1.43 -0.60 -2.15 118.68 120.24 2qea s LEU 79 Ca -0.02 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 2qea s LEU 79 Cb -0.20 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2qea s LEU 79 CO 0.02 0.24 0.20 -1.81 0.23 0.00 0.00 176.35 175.23 2qea s ASP 80 N -0.08 6.44 0.00 2.29 1.01 0.53 -1.59 116.67 125.26 2qea s ASP 80 Ca -0.01 0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.74 2qea s ASP 80 Cb -0.14 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.73 2qea s ASP 80 CO 0.03 0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.35 2qea n GLY 81 N 1.45 2.16 2.88 0.21 0.00 -0.20 -0.23 105.19 111.46 2qea n GLY 81 Ca -0.15 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.66 0.70 -0.10 2.61 2.01 -0.66 -1.40 115.64 117.14 2qea s THR 82 Ca 0.00 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 2qea s THR 82 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2qea s THR 82 CO 0.00 0.29 0.08 -0.22 -0.69 0.00 0.00 174.62 174.08 2qea s LEU 83 N 1.34 4.05 0.20 4.42 2.96 -0.37 -1.44 118.68 129.84 2qea s LEU 83 Ca -0.04 0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.99 2qea s LEU 83 Cb -0.14 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.61 2qea s LEU 83 CO -0.03 0.39 0.60 -1.83 -1.32 0.00 0.00 176.35 174.16 2qea s GLU 84 N -1.01 1.41 0.47 1.98 -1.05 -0.83 -1.57 118.70 118.10 2qea s GLU 84 Ca 0.15 -0.71 -0.20 0.00 -0.15 0.00 0.00 54.97 54.06 2qea s GLU 84 Cb -0.12 0.57 -0.09 0.00 -0.44 0.00 0.00 34.13 34.05 2qea s GLU 84 CO 0.04 -0.62 1.00 1.03 0.95 0.00 0.00 175.26 177.66 2qea s ARG 85 N -3.82 3.94 -0.04 -4.83 0.52 -1.26 -1.09 118.95 112.37 2qea s ARG 85 Ca 0.06 1.23 0.01 0.00 -0.52 0.00 0.00 55.73 56.51 2qea s ARG 85 Cb -0.02 -2.13 0.02 0.00 0.52 0.00 0.00 34.95 33.34 2qea s ARG 85 CO -0.06 -0.29 -0.05 0.45 0.02 0.00 0.00 175.30 175.37 2qea s SER 86 N -2.19 0.97 -0.38 0.23 0.15 -0.39 -4.81 113.70 107.27 2qea s SER 86 Ca 0.64 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 57.22 2qea s SER 86 Cb -0.13 -0.47 0.57 0.00 -1.71 0.00 0.00 66.02 64.28 2qea s SER 86 CO 0.19 -0.04 1.68 0.35 1.20 0.00 0.00 173.24 176.62 2qea n THR 87 N 3.99 2.90 -2.86 6.45 -2.24 -1.26 -4.33 114.28 116.92 2qea n THR 87 Ca -0.25 -2.47 -0.43 0.00 -2.27 0.00 0.00 64.05 58.62 2qea n THR 87 Cb 0.51 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.02 6.24 0.47 3.42 2.15 -1.26 -4.90 116.67 120.77 2qea s ASP 88 Ca 0.51 -0.72 0.21 0.00 0.43 0.00 0.00 52.55 52.98 2qea s ASP 88 Cb 0.44 -2.42 1.19 0.00 -0.30 0.00 0.00 42.92 41.84 2qea s ASP 88 CO 0.04 -1.33 2.00 0.08 -0.17 0.00 0.00 175.17 175.80 2qea h ARG 89 N 9.44 0.00 -0.15 4.34 0.11 -1.99 -2.07 114.38 124.06 2qea h ARG 89 Ca -0.28 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.77 2qea h ARG 89 Cb 1.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 2qea h ARG 89 CO 1.13 0.18 -0.04 0.93 0.10 0.00 0.00 179.97 182.27 2qea h GLU 90 N 0.00 0.30 -0.49 0.08 4.39 -2.00 -2.34 114.58 114.52 2qea h GLU 90 Ca -0.00 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 2qea h GLU 90 Cb 0.39 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2qea h GLU 90 CO 0.02 0.58 -0.08 0.00 -1.16 0.00 0.00 179.01 178.37 2qea h ALA 91 N 0.71 0.68 -0.27 3.43 0.00 -1.96 -2.41 119.26 119.44 2qea h ALA 91 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2qea h ALA 91 Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2qea h ALA 91 CO 0.02 0.56 0.07 1.25 0.00 0.00 0.00 179.25 181.15 2qea h LEU 92 N 0.79 0.06 -0.70 0.00 5.85 -1.38 -2.35 115.31 117.58 2qea h LEU 92 Ca 0.13 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 2qea h LEU 92 Cb 0.63 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2qea h LEU 92 CO 0.04 0.07 -0.46 -0.78 -0.34 0.00 0.00 178.44 176.97 2qea h ASP 93 N 0.19 0.49 -0.30 1.25 3.58 -1.43 -2.72 116.42 117.46 2qea h ASP 93 Ca 0.12 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 2qea h ASP 93 Cb 0.11 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2qea h ASP 93 CO -0.14 0.88 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.98 2qea h GLU 94 N 0.37 0.55 -0.36 0.28 4.81 -1.28 -3.26 114.58 115.69 2qea h GLU 94 Ca 0.02 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2qea h GLU 94 Cb 0.94 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2qea h GLU 94 CO 0.08 0.72 0.00 1.19 -0.73 0.00 0.00 179.01 180.27 2qea n PHE 95 N -4.53 0.47 -2.65 0.92 3.72 -0.90 -4.94 117.46 109.56 2qea n PHE 95 Ca -0.03 -0.24 -0.40 0.00 -0.05 0.00 0.00 57.45 56.74 2qea n PHE 95 Cb 0.28 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.53 3.81 0.28 1.38 -0.11 -1.03 -5.02 118.94 116.72 2qea s TRP 96 Ca 0.33 1.83 0.03 0.00 1.22 0.00 0.00 56.10 59.51 2qea s TRP 96 Cb 0.18 -3.09 -0.04 0.00 -1.50 0.00 0.00 33.47 29.02 2qea s TRP 96 CO 0.25 0.06 0.17 -1.54 -4.62 0.00 0.00 176.95 171.27 2qea s SER 97 N -1.11 1.26 0.51 5.86 1.04 -1.26 -5.04 113.70 114.95 2qea s SER 97 Ca 0.43 -1.55 0.15 0.00 0.48 0.00 0.00 55.95 55.47 2qea s SER 97 Cb -0.28 0.40 1.21 0.00 0.10 0.00 0.00 66.02 67.46 2qea s SER 97 CO 0.35 -0.90 2.13 2.19 0.98 0.00 0.00 173.24 177.99 2qea h PHE 98 N 2.29 0.04 -0.27 5.02 -5.15 -2.00 -2.43 116.94 114.44 2qea h PHE 98 Ca -0.33 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.39 2qea h PHE 98 Cb 1.25 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 37.39 2qea h PHE 98 CO 0.97 0.04 -0.03 0.28 -2.00 0.00 0.00 178.31 177.57 2qea h VAL 99 N 0.05 1.27 -0.41 0.88 2.07 -2.01 -3.09 116.25 115.01 2qea h VAL 99 Ca 0.01 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2qea h VAL 99 Cb 0.02 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2qea h VAL 99 CO -0.00 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.17 2qea h ALA 100 N 0.80 1.86 -0.21 1.67 0.00 -1.85 -1.87 119.26 119.66 2qea h ALA 100 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qea h ALA 100 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2qea h ALA 100 CO 0.02 0.09 -0.11 -0.44 0.00 0.00 0.00 179.25 178.81 2qea h ASP 101 N 0.42 0.31 -0.11 0.00 3.32 -1.42 -1.84 116.42 117.10 2qea h ASP 101 Ca 0.17 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 2qea h ASP 101 Cb 0.15 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2qea h ASP 101 CO -0.04 0.46 -0.06 0.00 -1.72 0.00 0.00 179.24 177.88 2qea h ALA 102 N 1.58 0.15 -0.43 3.45 0.00 -1.30 -3.31 119.26 119.40 2qea h ALA 102 Ca 0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2qea h ALA 102 Cb 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qea h ALA 102 CO 0.02 -0.07 -0.29 -1.49 0.00 0.00 0.00 179.25 177.43 2qea h TRP 103 N -0.13 1.11 -3.55 0.00 4.06 -1.50 -3.40 115.95 112.54 2qea h TRP 103 Ca 0.02 -0.29 -0.68 0.00 2.06 0.00 0.00 58.89 60.01 2qea h TRP 103 Cb 0.52 -0.25 -0.37 0.00 -1.00 0.00 0.00 29.16 28.05 2qea h TRP 103 CO 0.07 1.11 -0.60 -0.06 -3.56 0.00 0.00 178.44 175.40 2qea s PHE 104 N -4.55 3.58 0.61 0.49 0.08 -0.70 -5.00 117.98 112.50 2qea s PHE 104 Ca -0.11 -2.77 0.32 0.00 0.12 0.00 0.00 56.93 54.49 2qea s PHE 104 Cb 0.12 -3.06 1.84 0.00 -0.57 0.00 0.00 43.02 41.34 2qea s PHE 104 CO 0.87 -0.92 2.17 0.38 -0.10 0.00 0.00 175.22 177.62 2qea h ASP 105 N 7.56 0.00 -0.53 1.36 2.03 -1.79 -2.95 116.42 122.11 2qea h ASP 105 Ca -0.08 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.02 2qea h ASP 105 Cb 1.01 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.38 2qea h ASP 105 CO 0.63 0.00 0.26 0.61 -1.03 0.00 0.00 179.24 179.71 2qea n GLY 106 N -1.31 3.15 7.00 7.15 0.00 -1.26 -5.06 105.19 114.86 2qea n GLY 106 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.18 -0.18 0.22 -0.02 0.00 -1.11 -3.58 105.19 100.34 2qea n GLY 107 Ca 0.30 -1.05 0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.74 1.61 3.07 -1.94 -3.28 115.11 111.83 2qea h GLN 108 Ca 0.00 0.00 -0.81 0.00 0.09 0.00 0.00 58.65 57.93 2qea h GLN 108 Cb 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 27.48 27.28 2qea h GLN 108 CO 0.00 0.22 0.85 0.72 0.09 0.00 0.00 178.83 180.71 2qea n HIS 109 N -3.31 2.36 -4.95 0.06 8.25 -1.25 -4.90 115.22 111.48 2qea n HIS 109 Ca 0.01 -2.56 -0.32 0.00 -0.26 0.00 0.00 57.72 54.59 2qea n HIS 109 Cb 0.47 -1.24 -0.14 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 -1.70 3.66 0.42 0.41 -1.08 -1.23 -4.92 116.67 112.23 2qea s ASP 110 Ca 0.33 -0.35 0.09 0.00 -0.52 0.00 0.00 52.55 52.10 2qea s ASP 110 Cb 0.09 -0.62 0.92 0.00 -1.46 0.00 0.00 42.92 41.85 2qea s ASP 110 CO 0.05 0.31 2.05 1.55 0.52 0.00 0.00 175.17 179.65 2qea h PRO 111 N 5.15 0.47 0.00 4.34 0.13 -1.93 -2.66 132.00 137.50 2qea h PRO 111 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qea h PRO 111 Cb 1.14 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2qea h PRO 111 CO 0.48 0.31 0.00 -0.44 -0.23 0.00 0.00 178.00 178.13 2qea h ASP 112 N 0.49 0.00 -3.72 1.44 3.32 -1.97 -3.47 116.42 112.51 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 0.06 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.67 2qea h ASP 112 CO -0.04 0.00 0.68 -0.69 -1.72 0.00 0.00 179.24 177.47 2qea s VAL 113 N -3.13 2.67 -0.17 -1.35 1.01 -1.01 -0.47 120.40 117.95 2qea s VAL 113 Ca 0.10 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 2qea s VAL 113 Cb 0.11 -3.41 0.08 0.00 0.00 0.00 0.00 36.38 33.16 2qea s VAL 113 CO 0.60 0.14 0.22 0.00 0.00 0.00 0.00 175.10 176.06 2qea s LEU 115 N 2.35 4.13 -0.07 0.00 2.96 -1.26 -1.29 118.68 125.49 2qea s LEU 115 Ca 0.05 0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 2qea s LEU 115 Cb -0.14 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2qea s LEU 115 CO -0.10 -0.34 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.81 2qea s LEU 116 N 2.14 3.46 -0.19 -0.68 1.43 0.76 -1.27 118.68 124.34 2qea s LEU 116 Ca 0.31 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2qea s LEU 116 Cb -0.16 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2qea s LEU 116 CO 0.10 0.37 -0.17 -0.75 0.23 0.00 0.00 176.35 176.13 2qea s LYS 117 N -0.91 2.72 -0.29 1.70 2.20 -0.25 -0.94 119.74 123.97 2qea s LYS 117 Ca 0.13 -0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 54.82 2qea s LYS 117 Cb -0.11 -2.52 -0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2qea s LYS 117 CO 0.03 -0.27 0.10 0.12 -0.36 0.00 0.00 175.35 174.96 2qea s PHE 118 N 1.31 3.14 -0.38 4.03 5.36 0.48 -1.96 117.98 129.96 2qea s PHE 118 Ca 0.03 -0.77 -0.13 0.00 -0.96 0.00 0.00 56.93 55.10 2qea s PHE 118 Cb -0.14 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.28 2qea s PHE 118 CO -0.11 -0.51 0.25 0.99 -1.46 0.00 0.00 175.22 174.38 2qea s THR 119 N 1.55 5.00 0.28 0.12 2.01 -0.52 -0.12 115.64 123.96 2qea s THR 119 Ca 0.04 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2qea s THR 119 Cb -0.17 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 2qea s THR 119 CO 0.04 -0.20 1.26 -2.84 -0.69 0.00 0.00 174.62 172.18 2qea s PRO 120 N 1.64 4.43 -0.27 4.92 0.02 -1.26 -1.65 135.00 142.82 2qea s PRO 120 Ca 0.04 2.08 -0.15 0.00 0.02 0.00 0.00 61.00 62.99 2qea s PRO 120 Cb -0.19 -3.13 -0.13 0.00 0.02 0.00 0.00 34.50 31.07 2qea s PRO 120 CO 0.09 -0.12 -0.30 0.00 -0.33 0.00 0.00 177.00 176.34 2qea n ALA 121 N 1.46 1.16 -3.81 -1.55 0.00 0.68 -4.70 120.51 113.75 2qea n ALA 121 Ca 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 53.44 52.34 2qea n ALA 121 Cb 0.43 0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -7.43 -0.18 0.00 0.00 1.04 -1.01 -1.24 113.70 104.88 2qea s SER 122 Ca -0.38 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2qea s SER 122 Cb 0.14 0.75 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2qea s SER 122 CO 0.50 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2qea n GLY 123 N -0.47 1.45 3.53 7.32 0.00 -0.72 -0.35 105.19 115.95 2qea n GLY 123 Ca -0.05 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 3.45 -0.06 1.61 2.12 -0.91 -0.89 118.70 122.01 2qea s GLU 124 Ca 0.00 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2qea s GLU 124 Cb 0.00 -3.86 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 2qea s GLU 124 CO 0.00 -0.69 -0.15 0.42 -0.54 0.00 0.00 175.26 174.30 2qea s ILE 125 N 2.27 2.95 -0.08 -3.70 1.01 -0.13 -2.28 121.20 121.24 2qea s ILE 125 Ca 0.16 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2qea s ILE 125 Cb -0.16 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 2qea s ILE 125 CO 0.13 0.58 -0.24 -0.44 0.00 0.00 0.00 174.94 174.97 2qea s SER 126 N -0.47 3.04 -0.18 3.58 0.01 0.93 -1.70 113.70 118.91 2qea s SER 126 Ca 0.06 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2qea s SER 126 Cb -0.12 -1.13 0.02 0.00 0.21 0.00 0.00 66.02 65.00 2qea s SER 126 CO 0.02 0.20 -0.19 -0.63 0.41 0.00 0.00 173.24 173.04 2qea s ILE 127 N 0.11 2.14 0.25 1.44 -1.09 -0.27 -1.60 121.20 122.19 2qea s ILE 127 Ca -0.12 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 57.43 2qea s ILE 127 Cb -0.16 -1.90 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 2qea s ILE 127 CO 0.06 0.53 0.00 0.42 -1.23 0.00 0.00 174.94 174.73 2qea s THR 128 N 1.26 1.13 -1.27 2.92 -4.23 -0.15 -1.78 115.64 113.52 2qea s THR 128 Ca 0.04 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 2qea s THR 128 Cb -0.13 -2.44 0.16 0.00 1.34 0.00 0.00 72.50 71.43 2qea s THR 128 CO -0.11 -0.26 1.30 -0.62 -0.54 0.00 0.00 174.62 174.39 2qea n GLU 129 N -0.48 0.10 0.00 3.99 1.02 -1.26 -4.49 120.64 119.52 2qea n GLU 129 Ca -0.04 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2qea n GLU 129 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2qea n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qea n GLY 130 N -0.33 -0.38 1.53 0.62 0.00 -1.26 -4.67 105.19 100.70 2qea n GLY 130 Ca 0.04 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 1.58 0.00 -0.02 0.00 -1.21 -4.68 105.19 100.87 2qea n GLY 131 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2qea n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qea n GLY 132 N 0.21 3.15 0.30 -0.02 0.00 -1.26 -4.88 105.19 102.69 2qea n GLY 132 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2qea n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qea h ALA 133 N 0.03 1.08 -0.19 4.61 0.00 -1.98 -2.71 119.26 120.10 2qea h ALA 133 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2qea h ALA 133 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qea h ALA 133 CO 0.00 0.16 -0.54 -0.09 0.00 0.00 0.00 179.25 178.78 2qea h ARG 134 N 0.83 0.54 -0.33 0.00 9.65 -1.95 -2.54 114.38 120.59 2qea h ARG 134 Ca 0.35 -0.34 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2qea h ARG 134 Cb 0.22 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2qea h ARG 134 CO -0.19 0.94 0.06 0.35 2.80 0.00 0.00 179.97 183.93 2qea h PHE 135 N 0.42 0.57 -0.80 2.20 3.57 -1.79 -0.52 116.94 120.60 2qea h PHE 135 Ca 0.01 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 2qea h PHE 135 Cb 1.08 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 2qea h PHE 135 CO 0.04 0.60 0.38 -0.07 -2.23 0.00 0.00 178.31 177.03 2qea h LEU 136 N 0.37 1.05 -0.36 0.59 3.38 -1.51 -2.10 115.31 116.73 2qea h LEU 136 Ca 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2qea h LEU 136 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qea h LEU 136 CO 0.00 0.89 0.08 0.22 0.09 0.00 0.00 178.44 179.73 2qea h TYR 137 N 1.13 0.62 -0.64 1.13 3.20 -1.36 -2.25 116.97 118.79 2qea h TYR 137 Ca 0.27 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2qea h TYR 137 Cb 0.13 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2qea h TYR 137 CO 0.01 0.62 0.11 1.49 -1.64 0.00 0.00 178.16 178.75 2qea h GLU 138 N 0.44 1.04 -0.19 1.82 4.57 -0.90 0.25 114.58 121.61 2qea h GLU 138 Ca 0.11 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 2qea h GLU 138 Cb 0.32 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2qea h GLU 138 CO 0.00 0.96 -0.07 0.82 -1.18 0.00 0.00 179.01 179.54 2qea h ILE 139 N 0.98 1.30 -0.75 2.32 5.03 -1.42 -1.42 117.51 123.55 2qea h ILE 139 Ca 0.20 -1.10 -0.02 0.00 -0.12 0.00 0.00 64.86 63.82 2qea h ILE 139 Cb 0.42 1.62 -0.04 0.00 -3.03 0.00 0.00 36.82 35.79 2qea h ILE 139 CO 0.01 0.33 0.38 0.00 -0.68 0.00 0.00 178.15 178.20 2qea h ALA 140 N 0.71 1.26 -0.27 1.87 0.00 -1.22 -2.66 119.26 118.95 2qea h ALA 140 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2qea h ALA 140 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qea h ALA 140 CO 0.02 0.58 -0.37 -0.22 0.00 0.00 0.00 179.25 179.27 2qea h LYS 141 N 1.06 0.61 -0.47 0.00 3.11 -0.46 -2.54 116.57 117.88 2qea h LYS 141 Ca 0.26 -0.29 0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2qea h LYS 141 Cb 0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 2qea h LYS 141 CO -0.04 0.88 0.30 0.00 -2.81 0.00 0.00 179.45 177.78 2qea h ALA 142 N 1.09 0.59 -0.70 5.00 0.00 -0.96 -1.65 119.26 122.63 2qea h ALA 142 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2qea h ALA 142 Cb 0.87 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2qea h ALA 142 CO 0.07 0.01 0.23 0.45 0.00 0.00 0.00 179.25 180.01 2qea h HIS 143 N 0.60 1.11 0.00 0.00 3.86 -1.45 -2.42 115.15 116.85 2qea h HIS 143 Ca 0.18 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2qea h HIS 143 Cb -0.04 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 2qea h HIS 143 CO -0.05 0.88 -0.21 1.25 0.86 0.00 0.00 177.93 180.67 2qea h LEU 144 N 1.02 0.00 -0.80 2.43 5.85 -1.19 -3.35 115.31 119.27 2qea h LEU 144 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2qea h LEU 144 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2qea h LEU 144 CO -0.01 0.21 -0.09 0.35 -0.34 0.00 0.00 178.44 178.56 2qea n THR 145 N -3.31 0.00 -3.59 1.05 -2.24 -0.64 -5.03 114.28 100.52 2qea n THR 145 Ca 0.01 -0.45 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 2qea n THR 145 Cb 0.45 1.08 0.06 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.17 -2.41 -4.01 3.42 9.92 -0.92 -5.03 116.55 117.35 2qea n ASP 146 Ca 0.03 -0.70 -0.14 0.00 -0.53 0.00 0.00 54.79 53.44 2qea n ASP 146 Cb 0.13 -4.60 -0.13 0.00 -0.64 0.00 0.00 41.12 35.88 2qea n ASP 146 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2qea s GLU 147 N -5.81 0.45 0.44 -1.24 2.02 -1.17 -5.10 118.70 108.29 2qea s GLU 147 Ca 0.12 -0.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.42 2qea s GLU 147 Cb -0.06 -0.32 -0.08 0.00 0.10 0.00 0.00 34.13 33.77 2qea s GLU 147 CO 0.77 0.07 1.10 0.95 0.02 0.00 0.00 175.26 178.17 2qea s THR 148 N -0.76 3.47 0.38 3.63 -4.23 -1.26 -4.45 115.64 112.42 2qea s THR 148 Ca -0.04 1.07 -0.28 0.00 -1.18 0.00 0.00 61.69 61.26 2qea s THR 148 Cb -0.06 -3.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.15 2qea s THR 148 CO 0.00 -0.04 1.44 -2.84 -0.54 0.00 0.00 174.62 172.64 2qea s PRO 149 N -2.72 4.08 0.09 3.99 0.02 -1.26 -4.96 135.00 134.24 2qea s PRO 149 Ca 0.62 2.47 -0.17 0.00 0.02 0.00 0.00 61.00 63.94 2qea s PRO 149 Cb -0.24 -2.93 -0.07 0.00 0.02 0.00 0.00 34.50 31.29 2qea s PRO 149 CO 0.29 -0.52 0.55 0.16 -0.33 0.00 0.00 177.00 177.15 2qea s ASP 150 N -0.28 6.96 0.00 2.53 -4.77 -1.26 -5.13 116.67 114.71 2qea s ASP 150 Ca 0.54 1.17 0.00 0.00 -3.30 0.00 0.00 52.55 50.95 2qea s ASP 150 Cb -0.45 -2.32 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 2qea s ASP 150 CO 0.60 0.22 0.00 0.61 0.70 0.00 0.00 175.17 177.30 2qea n GLY 152 N 1.41 4.95 3.78 2.12 0.00 -1.26 -4.89 105.19 111.30 2qea n GLY 152 Ca -0.09 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 2.15 3.02 -0.02 1.61 0.41 -0.73 -4.98 118.70 120.15 2qea s GLU 153 Ca 0.00 -0.54 0.01 0.00 -0.41 0.00 0.00 54.97 54.03 2qea s GLU 153 Cb 0.00 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 2qea s GLU 153 CO 0.00 0.63 -0.03 -1.14 -0.49 0.00 0.00 175.26 174.23 2qea s GLN 154 N -1.88 0.44 -0.01 1.61 0.74 -1.26 -1.11 119.66 118.18 2qea s GLN 154 Ca 0.24 -0.08 -0.28 0.00 0.05 0.00 0.00 55.36 55.29 2qea s GLN 154 Cb -0.12 -0.48 0.10 0.00 1.10 0.00 0.00 33.01 33.61 2qea s GLN 154 CO 0.16 -0.00 0.84 0.00 -0.55 0.00 0.00 175.29 175.74 2qea s ALA 155 N 0.41 -1.80 -0.33 1.58 0.00 -0.69 -5.03 121.76 115.90 2qea s ALA 155 Ca -0.04 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 2qea s ALA 155 Cb -0.08 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 2qea s ALA 155 CO -0.01 -0.61 0.39 0.99 0.00 0.00 0.00 175.76 176.53 2qea s THR 156 N -2.70 5.14 0.05 0.00 2.01 -1.26 -0.96 115.64 117.91 2qea s THR 156 Ca 0.02 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.23 2qea s THR 156 Cb -0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2qea s THR 156 CO -0.06 -0.08 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.08 2qea s VAL 157 N 2.10 3.99 -0.23 3.82 1.01 -0.07 -4.97 120.40 126.05 2qea s VAL 157 Ca 0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2qea s VAL 157 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2qea s VAL 157 CO 0.12 0.24 -0.06 -0.89 0.00 0.00 0.00 175.10 174.52 2qea s THR 158 N -1.19 3.17 -2.00 3.92 2.01 -1.26 -1.75 115.64 118.54 2qea s THR 158 Ca 0.22 -0.65 0.26 0.00 0.31 0.00 0.00 61.69 61.84 2qea s THR 158 Cb -0.12 -2.48 0.75 0.00 0.01 0.00 0.00 72.50 70.67 2qea s THR 158 CO 0.14 0.37 1.93 0.49 -0.69 0.00 0.00 174.62 176.86