#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4r n GLY 5 N 0.00 1.65 3.77 0.55 0.00 -1.26 -4.48 105.19 105.41 2q4r n GLY 5 Ca 0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2q4r n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2q4r s PRO 6 N 0.00 3.09 -0.06 1.61 0.02 -1.26 -4.92 135.00 133.48 2q4r s PRO 6 Ca 0.00 1.51 -0.25 0.00 0.02 0.00 0.00 61.00 62.28 2q4r s PRO 6 Cb 0.00 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.60 2q4r s PRO 6 CO 0.00 -1.04 0.56 0.00 -0.33 0.00 0.00 177.00 176.19 2q4r s ALA 7 N -2.04 -1.45 0.07 -1.55 0.00 -1.26 -1.49 121.76 114.04 2q4r s ALA 7 Ca 0.70 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.82 2q4r s ALA 7 Cb -0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2q4r s ALA 7 CO 0.34 -0.33 -0.23 -1.17 0.00 0.00 0.00 175.76 174.37 2q4r s LEU 8 N -1.05 2.21 -0.13 0.00 2.96 -1.00 -2.19 118.68 119.48 2q4r s LEU 8 Ca -0.10 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2q4r s LEU 8 Cb -0.02 -1.09 0.01 0.00 0.50 0.00 0.00 46.19 45.59 2q4r s LEU 8 CO 0.07 0.18 -0.21 0.00 -1.32 0.00 0.00 176.35 175.06 2q4r s LEU 10 N 0.78 2.22 0.08 0.00 1.43 -0.32 -0.69 118.68 122.19 2q4r s LEU 10 Ca -0.08 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2q4r s LEU 10 Cb -0.16 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2q4r s LEU 10 CO -0.01 0.14 -0.26 -0.36 0.23 0.00 0.00 176.35 176.09 2q4r s PHE 11 N 0.46 2.26 0.54 0.29 0.08 -0.97 -1.10 117.98 119.53 2q4r s PHE 11 Ca -0.15 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.33 2q4r s PHE 11 Cb -0.17 -1.30 -0.06 0.00 -0.57 0.00 0.00 43.02 40.92 2q4r s PHE 11 CO 0.06 0.21 1.03 0.34 -0.10 0.00 0.00 175.22 176.76 2q4r s ASP 12 N -1.59 6.16 0.00 1.36 3.68 -0.59 -2.49 116.67 123.20 2q4r s ASP 12 Ca 0.12 1.81 0.00 0.00 2.13 0.00 0.00 52.55 56.61 2q4r s ASP 12 Cb -0.10 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.83 2q4r s ASP 12 CO 0.04 -0.91 0.00 1.33 0.13 0.00 0.00 175.17 175.76 2q4r n VAL 13 N -1.54 0.00 -1.92 1.11 0.24 -1.13 -3.31 118.33 111.77 2q4r n VAL 13 Ca 0.08 0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 2q4r n VAL 13 Cb 0.53 -0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.70 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2q4r s ASP 14 N -1.14 6.58 0.00 -1.34 2.15 -1.26 0.02 116.67 121.67 2q4r s ASP 14 Ca 0.00 2.63 0.00 0.00 0.43 0.00 0.00 52.55 55.61 2q4r s ASP 14 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2q4r s ASP 14 CO 0.00 -0.83 0.00 0.61 -0.17 0.00 0.00 175.17 174.78 2q4r n GLY 15 N 3.77 2.72 0.13 2.66 0.00 -0.68 -4.71 105.19 109.09 2q4r n GLY 15 Ca 0.14 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 2q4r n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q4r n THR 16 N 0.00 1.64 0.94 2.61 -1.04 -1.08 -2.81 114.28 114.54 2q4r n THR 16 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.61 2q4r n THR 16 Cb 0.00 -1.72 0.01 0.00 -1.82 0.00 0.00 70.33 66.80 2q4r n THR 16 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2q4r n LEU 17 N -3.66 2.12 -3.65 -4.42 4.77 0.10 -3.01 117.00 109.25 2q4r n LEU 17 Ca -0.38 -0.80 -0.12 0.00 -0.03 0.00 0.00 56.01 54.67 2q4r n LEU 17 Cb 0.96 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.99 2q4r n LEU 17 CO 0.31 0.39 0.16 0.42 -1.33 0.00 0.00 177.39 177.34 2q4r s THR 18 N -2.29 0.06 0.50 -5.08 -4.23 -1.18 -4.60 115.64 98.82 2q4r s THR 18 Ca 0.19 -0.47 -0.20 0.00 -1.18 0.00 0.00 61.69 60.04 2q4r s THR 18 Cb 0.17 -1.00 -0.08 0.00 1.34 0.00 0.00 72.50 72.94 2q4r s THR 18 CO 0.50 -0.26 1.04 0.00 -0.54 0.00 0.00 174.62 175.36 2q4r s ALA 19 N -2.73 2.85 0.12 3.99 0.00 -1.26 -1.68 121.76 123.04 2q4r s ALA 19 Ca -0.04 0.60 -0.34 0.00 0.00 0.00 0.00 51.96 52.18 2q4r s ALA 19 Cb -0.00 -3.26 -0.18 0.00 0.00 0.00 0.00 23.12 19.69 2q4r s ALA 19 CO -0.04 -0.38 0.98 -2.30 0.00 0.00 0.00 175.76 174.01 2q4r n PRO 20 N -1.09 0.47 -2.58 0.00 -0.02 -1.26 -1.21 135.00 129.30 2q4r n PRO 20 Ca 0.09 0.17 -0.07 0.00 -2.02 0.00 0.00 63.50 61.67 2q4r n PRO 20 Cb 0.52 -1.54 -0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2q4r n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2q4r n ARG 21 N 1.50 -2.68 -4.57 -0.52 1.74 -1.26 -4.93 116.66 105.93 2q4r n ARG 21 Ca 0.18 0.23 -0.23 0.00 -0.77 0.00 0.00 57.85 57.26 2q4r n ARG 21 Cb 0.19 -4.78 -0.14 0.00 -1.02 0.00 0.00 32.46 26.70 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2q4r s GLN 22 N -5.13 1.18 0.75 5.56 -0.21 -0.35 -5.13 119.66 116.33 2q4r s GLN 22 Ca 0.04 -0.74 -0.12 0.00 0.02 0.00 0.00 55.36 54.56 2q4r s GLN 22 Cb -0.02 -1.20 0.05 0.00 1.00 0.00 0.00 33.01 32.83 2q4r s GLN 22 CO 0.05 0.31 1.12 0.21 -2.12 0.00 0.00 175.29 174.87 2q4r s LYS 23 N -0.88 2.22 0.55 2.91 2.20 -1.26 -4.23 119.74 121.25 2q4r s LYS 23 Ca 0.05 1.36 -0.20 0.00 -0.36 0.00 0.00 55.97 56.82 2q4r s LYS 23 Cb -0.07 -1.88 -0.06 0.00 -1.51 0.00 0.00 37.83 34.31 2q4r s LYS 23 CO 0.01 -1.69 1.11 1.51 -0.36 0.00 0.00 175.35 175.92 2q4r n ILE 24 N -3.20 3.56 -3.08 5.43 3.06 -1.05 -4.72 119.36 119.36 2q4r n ILE 24 Ca 0.10 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.51 2q4r n ILE 24 Cb 0.52 -1.32 -0.06 0.00 0.54 0.00 0.00 39.64 39.32 2q4r n ILE 24 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2q4r s THR 25 N -1.40 4.59 0.16 9.51 2.01 -1.26 -4.96 115.64 124.29 2q4r s THR 25 Ca 0.72 1.18 -0.16 0.00 0.31 0.00 0.00 61.69 63.74 2q4r s THR 25 Cb -0.44 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.36 2q4r s THR 25 CO 0.49 -0.01 1.74 0.50 -0.69 0.00 0.00 174.62 176.65 2q4r h LYS 26 N 2.77 0.24 -0.29 4.92 3.11 -2.02 0.14 116.57 125.44 2q4r h LYS 26 Ca -0.48 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2q4r h LYS 26 Cb 1.18 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 2q4r h LYS 26 CO 0.65 0.16 0.00 -1.91 -2.81 0.00 0.00 179.45 175.54 2q4r n GLU 27 N -5.05 0.00 0.00 1.90 2.13 -1.26 0.38 120.64 118.74 2q4r n GLU 27 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2q4r n GLU 27 Cb 0.14 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 30.87 2q4r n GLU 27 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2q4r n ASP 29 N 0.50 0.00 -0.32 4.31 9.92 0.49 -0.69 116.55 130.76 2q4r n ASP 29 Ca 0.00 0.00 0.31 0.00 -0.53 0.00 0.00 54.79 54.57 2q4r n ASP 29 Cb 0.00 0.00 0.67 0.00 -0.64 0.00 0.00 41.12 41.15 2q4r n ASP 29 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2q4r h ASP 30 N 0.00 0.15 0.45 -2.24 3.32 -0.31 0.60 116.42 118.40 2q4r h ASP 30 Ca 0.00 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2q4r h ASP 30 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2q4r h ASP 30 CO 0.00 0.02 -0.22 0.15 -1.72 0.00 0.00 179.24 177.48 2q4r h PHE 31 N 0.13 -0.56 -1.00 4.55 3.57 -1.12 -3.21 116.94 119.31 2q4r h PHE 31 Ca 0.58 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.27 2q4r h PHE 31 Cb 2.00 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 40.82 2q4r h PHE 31 CO -0.00 -0.35 0.62 -0.07 -2.23 0.00 0.00 178.31 176.28 2q4r h LEU 32 N -0.90 0.68 -0.55 0.59 3.38 -1.26 -1.99 115.31 115.26 2q4r h LEU 32 Ca -0.06 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.11 2q4r h LEU 32 Cb 0.46 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 2q4r h LEU 32 CO 0.10 0.21 -0.28 1.56 0.09 0.00 0.00 178.44 180.11 2q4r h GLN 33 N 0.64 -0.14 -0.28 1.13 1.08 0.11 0.19 115.11 117.85 2q4r h GLN 33 Ca 0.58 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.84 2q4r h GLN 33 Cb 1.07 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.49 2q4r h GLN 33 CO -0.37 -0.09 -0.01 -0.22 -0.95 0.00 0.00 178.83 177.19 2q4r h LYS 34 N -0.14 0.06 -0.26 1.46 3.64 -1.40 -2.75 116.57 117.18 2q4r h LYS 34 Ca 0.24 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2q4r h LYS 34 Cb 0.53 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 2q4r h LYS 34 CO -0.63 0.04 -0.19 1.25 -2.27 0.00 0.00 179.45 177.65 2q4r h LEU 35 N 0.07 -0.62 -1.79 5.20 5.85 -0.73 -0.45 115.31 122.84 2q4r h LEU 35 Ca 0.13 0.13 0.17 0.00 0.84 0.00 0.00 57.88 59.15 2q4r h LEU 35 Cb 0.18 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2q4r h LEU 35 CO -0.24 -0.23 0.49 -0.09 -0.34 0.00 0.00 178.44 178.04 2q4r h ARG 36 N -0.18 0.20 -0.95 1.25 2.43 -0.57 0.92 114.38 117.48 2q4r h ARG 36 Ca 0.14 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 2q4r h ARG 36 Cb 0.40 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.81 2q4r h ARG 36 CO -0.37 0.13 0.57 1.96 -1.51 0.00 0.00 179.97 180.75 2q4r h GLN 37 N 0.20 0.84 -2.19 0.20 1.08 -0.82 -3.11 115.11 111.33 2q4r h GLN 37 Ca 0.35 -0.05 -0.57 0.00 -1.45 0.00 0.00 58.65 56.92 2q4r h GLN 37 Cb 1.07 -0.19 -0.41 0.00 -0.05 0.00 0.00 27.48 27.90 2q4r h GLN 37 CO -0.07 0.56 -0.76 0.36 -0.95 0.00 0.00 178.83 177.97 2q4r n LYS 38 N -4.70 2.43 0.00 1.46 0.00 0.30 -5.02 118.16 112.62 2q4r n LYS 38 Ca 0.19 -4.42 0.00 0.00 -0.00 0.00 0.00 58.31 54.08 2q4r n LYS 38 Cb 0.39 -2.06 0.00 0.00 -0.00 0.00 0.00 35.03 33.36 2q4r n LYS 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2q4r n ILE 39 N 0.33 0.00 -3.04 0.58 5.41 -1.10 -4.97 119.36 116.58 2q4r n ILE 39 Ca 0.29 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.65 2q4r n ILE 39 Cb 0.45 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.32 2q4r n ILE 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2q4r s LYS 40 N -1.58 4.45 0.09 0.38 -0.14 -0.93 -4.28 119.74 117.73 2q4r s LYS 40 Ca 0.00 1.04 0.05 0.00 -1.36 0.00 0.00 55.97 55.70 2q4r s LYS 40 Cb 0.00 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 2q4r s LYS 40 CO 0.00 0.53 -0.14 0.96 -0.76 0.00 0.00 175.35 175.94 2q4r s ILE 41 N -1.25 1.15 0.15 2.17 -4.36 -1.26 0.09 121.20 117.89 2q4r s ILE 41 Ca 0.37 -1.46 -0.09 0.00 -0.26 0.00 0.00 60.65 59.21 2q4r s ILE 41 Cb -0.21 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 2q4r s ILE 41 CO 0.24 -0.32 0.26 -0.83 0.24 0.00 0.00 174.94 174.53 2q4r s GLY 42 N -2.03 0.42 0.01 6.27 0.00 0.14 -1.83 107.32 110.30 2q4r s GLY 42 Ca 0.02 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.93 2q4r s GLY 42 CO 0.02 -0.84 -0.12 -1.34 0.00 0.00 0.00 173.10 170.81 2q4r s VAL 43 N -3.95 0.97 0.01 1.40 -7.23 -0.14 -2.29 120.40 109.17 2q4r s VAL 43 Ca 0.15 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2q4r s VAL 43 Cb 0.04 -0.85 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 2q4r s VAL 43 CO -0.02 0.13 -0.05 0.54 -0.31 0.00 0.00 175.10 175.38 2q4r s VAL 44 N -0.55 0.38 0.07 1.32 0.11 -1.04 0.96 120.40 121.65 2q4r s VAL 44 Ca 0.03 -0.45 -0.26 0.00 -2.93 0.00 0.00 61.98 58.37 2q4r s VAL 44 Cb -0.06 -0.37 0.09 0.00 -1.53 0.00 0.00 36.38 34.51 2q4r s VAL 44 CO 0.00 -0.06 0.75 -0.83 -3.33 0.00 0.00 175.10 171.64 2q4r s GLY 45 N -0.55 -0.53 0.42 6.54 0.00 -1.19 -2.83 107.32 109.18 2q4r s GLY 45 Ca -0.02 0.76 0.23 0.00 0.00 0.00 0.00 44.72 45.69 2q4r s GLY 45 CO -0.00 0.25 1.70 -1.33 0.00 0.00 0.00 173.10 173.72 2q4r h GLY 46 N 2.00 0.00 -1.41 0.20 0.00 -1.93 -1.10 103.07 100.83 2q4r h GLY 46 Ca -0.28 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.53 2q4r h GLY 46 CO 0.34 0.00 0.29 -0.56 0.00 0.00 0.00 176.54 176.61 2q4r s SER 47 N -6.17 3.62 0.89 0.19 0.01 -1.26 -3.77 113.70 107.22 2q4r s SER 47 Ca 0.03 2.14 -0.14 0.00 1.31 0.00 0.00 55.95 59.30 2q4r s SER 47 Cb 0.08 -2.56 0.15 0.00 0.21 0.00 0.00 66.02 63.90 2q4r s SER 47 CO 0.66 -2.64 1.25 1.51 0.41 0.00 0.00 173.24 174.43 2q4r s ASP 48 N -2.68 3.66 0.17 2.44 3.84 -1.26 -0.39 116.67 122.45 2q4r s ASP 48 Ca 0.67 0.40 -0.15 0.00 -0.00 0.00 0.00 52.55 53.47 2q4r s ASP 48 Cb -0.23 -0.62 0.13 0.00 -1.38 0.00 0.00 42.92 40.82 2q4r s ASP 48 CO 0.54 -2.40 1.69 0.15 -0.00 0.00 0.00 175.17 175.15 2q4r h PHE 49 N -1.37 -0.04 -0.67 2.11 3.57 -1.95 -2.47 116.94 116.11 2q4r h PHE 49 Ca -0.45 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.23 2q4r h PHE 49 Cb 1.27 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.98 2q4r h PHE 49 CO -0.61 -0.09 0.07 0.93 -2.23 0.00 0.00 178.31 176.37 2q4r h GLU 50 N 0.10 0.17 0.55 1.11 5.08 -2.00 -2.03 114.58 117.56 2q4r h GLU 50 Ca 0.21 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2q4r h GLU 50 Cb 0.30 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.52 2q4r h GLU 50 CO -0.36 0.11 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.28 2q4r h LYS 51 N 0.17 -0.71 -1.02 2.33 1.63 -1.82 -1.34 116.57 115.81 2q4r h LYS 51 Ca 0.36 0.05 0.28 0.00 -0.85 0.00 0.00 60.65 60.49 2q4r h LYS 51 Cb 0.61 0.16 -0.13 0.00 -0.60 0.00 0.00 32.23 32.27 2q4r h LYS 51 CO -0.53 -0.42 0.61 0.28 -3.45 0.00 0.00 179.45 175.94 2q4r h VAL 52 N -0.88 0.44 0.13 2.00 2.07 -1.17 0.38 116.25 119.23 2q4r h VAL 52 Ca -0.08 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2q4r h VAL 52 Cb 0.62 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2q4r h VAL 52 CO 0.12 0.08 -0.06 1.56 0.02 0.00 0.00 177.57 179.29 2q4r h GLN 53 N 0.45 -0.17 -0.91 1.57 4.20 -1.12 1.45 115.11 120.59 2q4r h GLN 53 Ca 0.67 0.01 0.20 0.00 0.06 0.00 0.00 58.65 59.59 2q4r h GLN 53 Cb 1.47 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 29.17 2q4r h GLN 53 CO -0.49 0.10 0.46 0.93 -0.67 0.00 0.00 178.83 179.16 2q4r h GLU 54 N -0.43 0.52 0.12 1.46 5.08 0.76 2.83 114.58 124.92 2q4r h GLU 54 Ca -0.02 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 2q4r h GLU 54 Cb 0.35 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.50 2q4r h GLU 54 CO 0.03 0.34 -0.71 1.96 -1.00 0.00 0.00 179.01 179.63 2q4r h GLN 55 N 0.53 0.26 -0.43 2.33 4.20 -0.32 -3.38 115.11 118.30 2q4r h GLN 55 Ca 0.54 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2q4r h GLN 55 Cb 0.94 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2q4r h GLN 55 CO -0.45 1.21 0.00 1.28 -0.67 0.00 0.00 178.83 180.20 2q4r n LEU 56 N -4.19 3.23 0.00 1.46 4.77 0.49 -2.54 117.00 120.22 2q4r n LEU 56 Ca -0.13 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 2q4r n LEU 56 Cb 0.78 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2q4r n LEU 56 CO 0.46 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 2q4r n GLY 57 N 1.05 0.91 0.36 -0.72 0.00 0.94 -4.32 105.19 103.41 2q4r n GLY 57 Ca 0.16 -1.49 0.18 0.00 0.00 0.00 0.00 46.02 44.87 2q4r n GLY 57 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2q4r h ASN 58 N 0.00 0.00 0.71 1.61 2.35 -1.90 0.37 115.58 118.72 2q4r h ASN 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q4r h ASN 58 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2q4r h ASN 58 CO 0.00 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 174.88 2q4r n ASP 59 N -3.45 0.00 0.00 5.81 5.75 -1.26 -4.67 116.55 118.73 2q4r n ASP 59 Ca 0.03 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 2q4r n ASP 59 Cb 0.45 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2q4r n ASP 59 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2q4r n VAL 60 N -1.38 0.00 0.03 2.12 3.14 0.13 0.30 118.33 122.67 2q4r n VAL 60 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2q4r n VAL 60 Cb 0.27 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.06 2q4r n VAL 60 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2q4r n VAL 61 N -0.62 0.00 0.27 1.55 0.24 -1.26 -1.59 118.33 116.93 2q4r n VAL 61 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 2q4r n VAL 61 Cb 0.00 -0.90 -0.07 0.00 -1.47 0.00 0.00 33.84 31.41 2q4r n VAL 61 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2q4r n GLU 62 N -0.90 2.16 0.06 7.34 2.13 0.15 -4.33 120.64 127.24 2q4r n GLU 62 Ca 0.00 -0.04 0.11 0.00 0.66 0.00 0.00 57.16 57.89 2q4r n GLU 62 Cb 0.00 -1.10 -0.07 0.00 0.27 0.00 0.00 31.44 30.54 2q4r n GLU 62 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2q4r n LYS 63 N -1.52 0.62 -5.10 5.31 4.76 -0.62 -4.92 118.16 116.70 2q4r n LYS 63 Ca 0.00 -0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2q4r n LYS 63 Cb 0.21 -1.71 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 2q4r n LYS 63 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2q4r s TYR 64 N -3.42 2.09 0.37 2.13 2.02 -1.19 -4.98 117.35 114.36 2q4r s TYR 64 Ca -0.03 -0.53 0.28 0.00 -0.37 0.00 0.00 57.07 56.42 2q4r s TYR 64 Cb 0.11 -1.37 1.42 0.00 -0.40 0.00 0.00 41.96 41.73 2q4r s TYR 64 CO 0.84 -0.13 2.05 -0.44 -1.57 0.00 0.00 175.55 176.29 2q4r h ASP 65 N 5.91 0.00 -3.72 2.29 3.32 -1.78 -3.42 116.42 119.03 2q4r h ASP 65 Ca -0.36 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.46 2q4r h ASP 65 Cb 1.16 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.42 2q4r h ASP 65 CO 0.47 0.12 -0.71 -0.31 -1.72 0.00 0.00 179.24 177.10 2q4r s TYR 66 N -4.09 -0.01 -0.14 4.55 2.02 -0.76 -3.67 117.35 115.25 2q4r s TYR 66 Ca -0.02 0.04 -0.04 0.00 -0.37 0.00 0.00 57.07 56.68 2q4r s TYR 66 Cb 0.12 -0.01 0.07 0.00 -0.40 0.00 0.00 41.96 41.74 2q4r s TYR 66 CO 0.58 -0.01 0.25 0.08 -1.57 0.00 0.00 175.55 174.88 2q4r s VAL 67 N 0.08 -0.39 -0.52 0.71 1.01 -1.10 -0.97 120.40 119.23 2q4r s VAL 67 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2q4r s VAL 67 Cb -0.01 -0.47 0.14 0.00 0.00 0.00 0.00 36.38 36.04 2q4r s VAL 67 CO -0.00 0.07 0.31 -0.36 0.00 0.00 0.00 175.10 175.12 2q4r s PHE 68 N 2.40 2.57 0.82 5.22 0.08 0.27 -2.28 117.98 127.06 2q4r s PHE 68 Ca 0.03 -2.82 -0.11 0.00 0.12 0.00 0.00 56.93 54.15 2q4r s PHE 68 Cb -0.13 -2.23 0.09 0.00 -0.57 0.00 0.00 43.02 40.18 2q4r s PHE 68 CO -0.09 -0.72 1.09 -2.14 -0.10 0.00 0.00 175.22 173.26 2q4r s PRO 69 N -0.25 1.86 -1.52 0.24 0.02 -1.24 -3.15 135.00 130.96 2q4r s PRO 69 Ca 0.20 0.99 -0.03 0.00 0.02 0.00 0.00 61.00 62.19 2q4r s PRO 69 Cb -0.18 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.50 2q4r s PRO 69 CO -0.05 -1.87 0.26 0.39 -0.33 0.00 0.00 177.00 175.40 2q4r n GLU 70 N -3.66 -2.08 -0.13 5.54 1.02 0.48 -0.16 120.64 121.65 2q4r n GLU 70 Ca 0.08 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2q4r n GLU 70 Cb 0.54 -4.15 0.00 0.00 -0.02 0.00 0.00 31.44 27.81 2q4r n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4r n ASN 71 N -2.89 0.00 0.00 1.62 4.13 -0.45 -2.29 115.26 115.38 2q4r n ASN 71 Ca -0.27 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.99 2q4r n ASN 71 Cb 0.67 -1.10 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 2q4r n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2q4r n GLY 72 N -2.00 1.17 0.27 7.41 0.00 0.77 -2.78 105.19 110.03 2q4r n GLY 72 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2q4r n GLY 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2q4r h LEU 73 N 0.00 0.00 -8.79 0.99 3.38 -1.51 -3.37 115.31 106.00 2q4r h LEU 73 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2q4r h LEU 73 Cb 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.50 2q4r h LEU 73 CO 0.00 0.09 -0.79 -0.69 0.09 0.00 0.00 178.44 177.13 2q4r s VAL 74 N -3.89 2.87 -0.08 1.22 1.01 -1.24 0.19 120.40 120.47 2q4r s VAL 74 Ca -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 2q4r s VAL 74 Cb 0.11 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.39 2q4r s VAL 74 CO 0.56 0.58 0.21 0.00 0.00 0.00 0.00 175.10 176.45 2q4r s ALA 75 N -0.49 -0.53 -0.06 5.51 0.00 0.68 -3.68 121.76 123.19 2q4r s ALA 75 Ca 0.06 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.62 2q4r s ALA 75 Cb -0.12 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.69 2q4r s ALA 75 CO 0.01 -0.11 -0.14 0.71 0.00 0.00 0.00 175.76 176.23 2q4r s TYR 76 N 0.01 1.60 -0.20 0.00 2.02 -0.97 0.14 117.35 119.95 2q4r s TYR 76 Ca -0.01 -0.57 -0.05 0.00 -0.37 0.00 0.00 57.07 56.07 2q4r s TYR 76 Cb -0.02 -1.14 0.10 0.00 -0.40 0.00 0.00 41.96 40.50 2q4r s TYR 76 CO 0.00 -0.26 0.39 0.21 -1.57 0.00 0.00 175.55 174.32 2q4r s LYS 77 N 0.49 0.31 0.00 -0.62 2.20 -0.99 -2.70 119.74 118.41 2q4r s LYS 77 Ca -0.13 0.85 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2q4r s LYS 77 Cb -0.15 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 2q4r s LYS 77 CO 0.04 -0.37 0.00 -0.25 -0.36 0.00 0.00 175.35 174.41 2q4r n ASP 78 N 5.38 -2.48 0.00 1.43 10.43 -1.24 -3.67 116.55 126.39 2q4r n ASP 78 Ca -0.07 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.29 2q4r n ASP 78 Cb 0.50 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 43.04 2q4r n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2q4r n GLY 79 N -2.83 2.12 3.78 0.44 0.00 -1.26 -5.06 105.19 102.38 2q4r n GLY 79 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2q4r n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2q4r s LYS 80 N -0.93 2.88 -0.20 1.61 2.20 -1.24 -5.01 119.74 119.06 2q4r s LYS 80 Ca 0.00 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.62 2q4r s LYS 80 Cb 0.00 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 2q4r s LYS 80 CO 0.00 0.56 1.95 -1.17 -0.36 0.00 0.00 175.35 176.33 2q4r s LEU 81 N -2.44 3.73 -0.12 5.43 1.98 -1.26 -2.36 118.68 123.64 2q4r s LEU 81 Ca 0.29 1.84 -0.15 0.00 -2.89 0.00 0.00 54.13 53.23 2q4r s LEU 81 Cb -0.12 -3.52 -0.13 0.00 0.66 0.00 0.00 46.19 43.08 2q4r s LEU 81 CO 0.22 -1.59 0.39 0.25 -1.89 0.00 0.00 176.35 173.73 2q4r h LEU 82 N 13.23 -0.00 -8.04 -0.68 5.85 0.88 -3.48 115.31 123.06 2q4r h LEU 82 Ca -0.39 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 57.68 2q4r h LEU 82 Cb 1.20 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.05 2q4r h LEU 82 CO 0.98 0.74 -0.67 0.00 -0.34 0.00 0.00 178.44 179.16 2q4r s ARG 84 N -2.32 0.63 0.03 0.00 0.52 -1.19 -0.23 118.95 116.39 2q4r s ARG 84 Ca -0.08 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 2q4r s ARG 84 Cb -0.04 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 2q4r s ARG 84 CO -0.04 -1.21 -0.07 -1.14 0.02 0.00 0.00 175.30 172.86 2q4r s GLN 85 N 1.26 2.46 0.28 3.54 2.00 0.13 -5.00 119.66 124.32 2q4r s GLN 85 Ca 0.18 -0.80 0.02 0.00 -2.00 0.00 0.00 55.36 52.76 2q4r s GLN 85 Cb -0.17 -2.46 -0.05 0.00 0.80 0.00 0.00 33.01 31.13 2q4r s GLN 85 CO -0.02 0.58 0.11 0.54 -0.50 0.00 0.00 175.29 176.00 2q4r s ASN 86 N -1.68 1.42 0.24 6.67 2.20 -1.26 -4.70 114.94 117.83 2q4r s ASN 86 Ca 0.19 -1.44 -0.00 0.00 -0.94 0.00 0.00 52.86 50.66 2q4r s ASN 86 Cb -0.11 0.23 0.27 0.00 -2.00 0.00 0.00 41.25 39.63 2q4r s ASN 86 CO 0.10 -0.78 1.63 -0.29 -2.94 0.00 0.00 177.10 174.83 2q4r h ILE 87 N 2.30 1.29 -0.06 0.54 2.10 -1.39 -2.44 117.51 119.85 2q4r h ILE 87 Ca -0.37 -1.47 -0.11 0.00 1.08 0.00 0.00 64.86 63.99 2q4r h ILE 87 Cb 1.25 1.48 -0.01 0.00 -1.09 0.00 0.00 36.82 38.44 2q4r h ILE 87 CO 0.59 0.47 -0.48 0.06 -1.08 0.00 0.00 178.15 177.71 2q4r h GLN 88 N 0.46 0.14 -0.11 2.19 -0.00 -1.86 -0.46 115.11 115.46 2q4r h GLN 88 Ca 0.05 -0.07 -0.19 0.00 -0.00 0.00 0.00 58.65 58.44 2q4r h GLN 88 Cb 0.83 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.32 2q4r h GLN 88 CO 0.07 0.59 -0.67 0.77 -0.00 0.00 0.00 178.83 179.59 2q4r h SER 89 N 0.11 0.79 -0.32 0.06 0.02 -1.83 0.45 113.55 112.83 2q4r h SER 89 Ca 0.00 -0.65 -0.07 0.00 -0.84 0.00 0.00 61.79 60.24 2q4r h SER 89 Cb 0.89 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2q4r h SER 89 CO 0.07 1.31 -0.07 -0.74 -1.14 0.00 0.00 176.83 176.26 2q4r h HIS 90 N 0.32 0.69 -0.00 3.45 6.17 -1.27 -3.27 115.15 121.23 2q4r h HIS 90 Ca -0.05 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 60.88 2q4r h HIS 90 Cb 1.31 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 31.08 2q4r h HIS 90 CO 0.10 0.79 -0.51 1.28 0.71 0.00 0.00 177.93 180.30 2q4r n LEU 91 N -4.46 0.93 0.00 0.26 4.77 -0.20 -5.08 117.00 113.23 2q4r n LEU 91 Ca -0.03 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2q4r n LEU 91 Cb 0.33 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2q4r n LEU 91 CO 0.41 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2q4r n GLY 92 N 1.44 -1.65 0.15 -0.72 0.00 0.15 -4.20 105.19 100.36 2q4r n GLY 92 Ca 0.08 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.59 2q4r n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2q4r h GLU 93 N 0.00 0.00 -0.02 1.61 4.39 -1.93 -3.08 114.58 115.54 2q4r h GLU 93 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2q4r h GLU 93 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2q4r h GLU 93 CO 0.00 0.44 -0.14 0.00 -1.16 0.00 0.00 179.01 178.15 2q4r h ALA 94 N 1.56 0.05 0.93 3.43 0.00 -1.93 -2.25 119.26 121.05 2q4r h ALA 94 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2q4r h ALA 94 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2q4r h ALA 94 CO 0.06 -0.01 -0.49 1.25 0.00 0.00 0.00 179.25 180.06 2q4r h LEU 95 N -0.48 -1.18 -0.97 0.00 5.85 -1.73 0.81 115.31 117.61 2q4r h LEU 95 Ca -0.01 0.05 0.18 0.00 0.84 0.00 0.00 57.88 58.94 2q4r h LEU 95 Cb 0.82 0.32 -0.18 0.00 0.37 0.00 0.00 40.66 41.99 2q4r h LEU 95 CO 0.03 -0.80 -0.29 -0.38 -0.34 0.00 0.00 178.44 176.66 2q4r n ILE 96 N -5.61 -0.44 -0.13 4.05 2.08 -1.16 0.72 119.36 118.86 2q4r n ILE 96 Ca -0.16 2.24 -0.13 0.00 0.56 0.00 0.00 62.75 65.27 2q4r n ILE 96 Cb 0.52 -3.06 -0.02 0.00 -0.75 0.00 0.00 39.64 36.33 2q4r n ILE 96 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2q4r h GLN 97 N 0.00 0.93 -0.82 0.38 4.20 -1.03 -0.32 115.11 118.46 2q4r h GLN 97 Ca 0.42 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2q4r h GLN 97 Cb 0.67 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 2q4r h GLN 97 CO -0.99 1.13 0.51 -0.44 -0.67 0.00 0.00 178.83 178.37 2q4r h ASP 98 N 0.75 0.96 -0.18 1.46 3.45 0.51 0.86 116.42 124.24 2q4r h ASP 98 Ca 0.07 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 2q4r h ASP 98 Cb 0.93 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 2q4r h ASP 98 CO 0.09 0.72 -0.07 -0.07 -1.57 0.00 0.00 179.24 178.34 2q4r h LEU 99 N 1.12 0.38 0.08 1.55 3.38 0.49 -0.03 115.31 122.28 2q4r h LEU 99 Ca 0.30 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2q4r h LEU 99 Cb -0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2q4r h LEU 99 CO -0.06 0.69 -0.04 0.40 0.09 0.00 0.00 178.44 179.53 2q4r h ILE 100 N 0.07 1.02 -0.64 1.22 2.04 -0.56 -0.26 117.51 120.40 2q4r h ILE 100 Ca 0.04 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.65 2q4r h ILE 100 Cb 0.54 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 2q4r h ILE 100 CO 0.02 0.08 0.31 0.78 0.00 0.00 0.00 178.15 179.35 2q4r h ASN 101 N -0.25 0.42 0.28 1.72 2.35 0.75 0.83 115.58 121.68 2q4r h ASN 101 Ca -0.01 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2q4r h ASN 101 Cb 0.21 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2q4r h ASN 101 CO 0.02 0.26 -0.14 0.22 -1.65 0.00 0.00 177.43 176.14 2q4r h TYR 102 N 0.56 -0.35 -0.98 1.19 3.20 -0.78 -2.28 116.97 117.53 2q4r h TYR 102 Ca 0.31 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.24 2q4r h TYR 102 Cb 0.29 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 2q4r h TYR 102 CO -0.11 -0.13 0.63 0.00 -1.64 0.00 0.00 178.16 176.91 2q4r h LEU 104 N 1.12 -0.53 -0.61 0.00 3.38 -0.64 -2.42 115.31 115.61 2q4r h LEU 104 Ca 0.43 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 2q4r h LEU 104 Cb 0.21 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2q4r h LEU 104 CO -0.18 -0.26 0.36 0.28 0.09 0.00 0.00 178.44 178.73 2q4r h SER 105 N -0.34 0.75 -0.23 -0.43 0.02 -1.07 -3.00 113.55 109.25 2q4r h SER 105 Ca 0.04 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2q4r h SER 105 Cb 0.38 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2q4r h SER 105 CO -0.14 0.60 -0.03 0.22 -1.14 0.00 0.00 176.83 176.35 2q4r h TYR 106 N 0.83 -0.06 -0.48 3.45 3.20 -1.19 -2.80 116.97 119.92 2q4r h TYR 106 Ca 0.22 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.17 2q4r h TYR 106 Cb 0.00 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2q4r h TYR 106 CO -0.02 -0.06 0.16 0.82 -1.64 0.00 0.00 178.16 177.42 2q4r h ILE 107 N 0.04 0.83 -0.14 1.81 2.04 -1.30 0.53 117.51 121.32 2q4r h ILE 107 Ca 0.11 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2q4r h ILE 107 Cb 0.15 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2q4r h ILE 107 CO -0.21 0.06 0.20 0.00 0.00 0.00 0.00 178.15 178.20 2q4r h ALA 108 N 1.32 1.66 0.07 1.87 0.00 -1.37 -2.01 119.26 120.80 2q4r h ALA 108 Ca 0.23 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2q4r h ALA 108 Cb 0.24 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2q4r h ALA 108 CO -0.24 -0.27 -0.47 0.87 0.00 0.00 0.00 179.25 179.15 2q4r h LYS 109 N 0.00 0.20 -6.29 0.00 1.79 -0.77 -3.46 116.57 108.03 2q4r h LYS 109 Ca 0.07 -0.30 -0.66 0.00 -2.18 0.00 0.00 60.65 57.58 2q4r h LYS 109 Cb 0.46 0.11 0.04 0.00 -1.58 0.00 0.00 32.23 31.25 2q4r h LYS 109 CO -0.00 1.11 0.82 -0.89 -1.08 0.00 0.00 179.45 179.41 2q4r n ILE 110 N -4.34 0.23 -3.12 1.86 5.41 -0.76 -4.93 119.36 113.72 2q4r n ILE 110 Ca -0.12 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.17 2q4r n ILE 110 Cb 0.66 -1.37 -0.07 0.00 -0.71 0.00 0.00 39.64 38.16 2q4r n ILE 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2q4r s LYS 111 N 2.31 3.47 0.31 0.38 -0.14 -1.26 -5.01 119.74 119.80 2q4r s LYS 111 Ca 0.89 -0.18 0.07 0.00 -1.36 0.00 0.00 55.97 55.38 2q4r s LYS 111 Cb -0.85 -3.88 -0.06 0.00 -1.68 0.00 0.00 37.83 31.36 2q4r s LYS 111 CO 0.51 -0.87 -0.04 -0.51 -0.76 0.00 0.00 175.35 173.68 2q4r s LEU 112 N 2.74 2.53 0.30 3.17 1.43 -1.26 -5.02 118.68 122.55 2q4r s LEU 112 Ca 0.23 -1.23 0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2q4r s LEU 112 Cb -0.14 -0.70 0.44 0.00 0.03 0.00 0.00 46.19 45.82 2q4r s LEU 112 CO 0.17 -0.36 1.66 1.55 0.23 0.00 0.00 176.35 179.59 2q4r h PRO 113 N 2.16 0.00 -3.64 1.29 0.13 -1.97 -3.45 132.00 126.51 2q4r h PRO 113 Ca -0.41 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.63 2q4r h PRO 113 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 2q4r h PRO 113 CO 0.69 0.56 -0.36 0.15 -0.23 0.00 0.00 178.00 178.81 2q4r s LYS 114 N -3.72 0.78 -0.01 0.86 1.02 -1.26 -5.16 119.74 112.25 2q4r s LYS 114 Ca -0.02 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 2q4r s LYS 114 Cb 0.13 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.76 2q4r s LYS 114 CO 0.75 -0.24 0.04 0.15 -0.92 0.00 0.00 175.35 175.13 2q4r s LYS 115 N -3.18 0.06 0.00 1.68 1.02 -1.26 -4.80 119.74 113.26 2q4r s LYS 115 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.01 2q4r s LYS 115 Cb 0.02 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 2q4r s LYS 115 CO -0.07 -0.01 0.00 0.54 -0.92 0.00 0.00 175.35 174.89 2q4r n ARG 116 N 3.00 0.00 -3.94 1.68 5.12 0.10 -5.04 116.66 117.58 2q4r n ARG 116 Ca -0.13 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.70 2q4r n ARG 116 Cb 0.60 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.82 2q4r n ARG 116 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2q4r s GLY 117 N 0.00 0.39 -0.66 -0.13 0.00 -1.26 -4.92 107.32 100.74 2q4r s GLY 117 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 2q4r s GLY 117 CO 0.00 -0.87 0.56 2.41 0.00 0.00 0.00 173.10 175.19 2q4r n THR 118 N -0.15 -4.10 0.25 0.90 -1.04 -1.26 -1.81 114.28 107.06 2q4r n THR 118 Ca -0.10 -0.43 0.13 0.00 -2.04 0.00 0.00 64.05 61.61 2q4r n THR 118 Cb 0.63 -4.26 0.55 0.00 -1.82 0.00 0.00 70.33 65.43 2q4r n THR 118 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2q4r h PHE 119 N -0.94 0.00 -3.26 -1.42 0.04 -1.92 -3.01 116.94 106.43 2q4r h PHE 119 Ca -0.34 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.00 2q4r h PHE 119 Cb 1.19 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 38.96 2q4r h PHE 119 CO 0.23 0.11 -0.76 0.42 -0.60 0.00 0.00 178.31 177.70 2q4r s ILE 120 N -3.64 0.33 -0.05 -0.55 1.01 -1.26 -2.04 121.20 115.00 2q4r s ILE 120 Ca 0.01 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2q4r s ILE 120 Cb 0.09 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 2q4r s ILE 120 CO 0.60 0.25 -0.08 -0.70 0.00 0.00 0.00 174.94 175.01 2q4r s GLU 121 N 1.99 2.67 -0.20 2.79 2.56 0.27 -4.99 118.70 123.78 2q4r s GLU 121 Ca 0.05 -0.61 -0.00 0.00 0.00 0.00 0.00 54.97 54.41 2q4r s GLU 121 Cb -0.12 -2.54 0.02 0.00 2.00 0.00 0.00 34.13 33.48 2q4r s GLU 121 CO -0.05 0.64 -0.15 0.12 -0.56 0.00 0.00 175.26 175.26 2q4r s PHE 122 N -0.85 2.87 0.20 5.30 5.36 -1.26 -1.18 117.98 128.41 2q4r s PHE 122 Ca 0.13 -1.53 0.10 0.00 -0.96 0.00 0.00 56.93 54.68 2q4r s PHE 122 Cb -0.11 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 2q4r s PHE 122 CO 0.03 -0.75 -0.17 1.03 -1.46 0.00 0.00 175.22 173.90 2q4r s ARG 123 N 1.32 1.80 0.26 10.12 0.52 -1.26 -5.02 118.95 126.69 2q4r s ARG 123 Ca 0.04 -1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 53.80 2q4r s ARG 123 Cb -0.14 -1.99 0.54 0.00 0.52 0.00 0.00 34.95 33.89 2q4r s ARG 123 CO -0.10 0.41 1.70 -0.91 0.02 0.00 0.00 175.30 176.42 2q4r h ASN 124 N 2.97 0.15 -0.57 0.23 2.35 -1.99 -3.42 115.58 115.30 2q4r h ASN 124 Ca -0.46 0.14 -0.37 0.00 -0.55 0.00 0.00 56.30 55.06 2q4r h ASN 124 Cb 1.21 0.16 -0.24 0.00 0.05 0.00 0.00 38.32 39.50 2q4r h ASN 124 CO 0.52 -0.00 -0.20 0.61 -1.65 0.00 0.00 177.43 176.71 2q4r n GLY 125 N -1.35 5.58 3.54 2.83 0.00 -1.26 -1.08 105.19 113.45 2q4r n GLY 125 Ca 0.17 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 2q4r n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 127 N -3.46 2.96 -0.19 0.99 1.43 0.71 -4.63 118.68 116.49 2q4r s LEU 127 Ca 0.50 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2q4r s LEU 127 Cb 0.42 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.97 2q4r s LEU 127 CO 0.01 0.27 -0.09 0.21 0.23 0.00 0.00 176.35 176.98 2q4r s ASN 128 N -1.42 3.22 -0.13 2.29 3.04 -0.33 -0.78 114.94 120.83 2q4r s ASN 128 Ca 0.16 -0.82 -0.05 0.00 0.04 0.00 0.00 52.86 52.20 2q4r s ASN 128 Cb -0.11 -1.14 -0.04 0.00 -1.54 0.00 0.00 41.25 38.43 2q4r s ASN 128 CO 0.07 -0.16 0.04 -0.69 -3.04 0.00 0.00 177.10 173.32 2q4r s VAL 129 N 1.47 4.63 -0.13 -5.21 1.01 -0.55 -0.57 120.40 121.04 2q4r s VAL 129 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2q4r s VAL 129 Cb -0.16 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.25 2q4r s VAL 129 CO -0.08 0.54 0.05 -0.55 0.00 0.00 0.00 175.10 175.06 2q4r s SER 130 N -0.32 2.09 0.36 3.32 0.15 -0.87 -0.79 113.70 117.64 2q4r s SER 130 Ca 0.08 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.38 2q4r s SER 130 Cb -0.12 -0.36 0.75 0.00 -1.71 0.00 0.00 66.02 64.58 2q4r s SER 130 CO 0.02 -0.28 1.95 -0.65 1.20 0.00 0.00 173.24 175.47 2q4r h PRO 131 N 8.36 0.73 0.11 5.44 0.11 -1.84 -2.48 132.00 142.43 2q4r h PRO 131 Ca -0.16 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.62 2q4r h PRO 131 Cb 1.13 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 2q4r h PRO 131 CO 0.27 0.48 -1.39 0.97 -0.21 0.00 0.00 178.00 178.12 2q4r h ILE 132 N 0.75 1.32 0.00 4.15 2.10 -1.87 -3.45 117.51 120.51 2q4r h ILE 132 Ca 0.33 -2.94 0.00 0.00 1.08 0.00 0.00 64.86 63.33 2q4r h ILE 132 Cb 0.33 2.84 0.00 0.00 -1.09 0.00 0.00 36.82 38.89 2q4r h ILE 132 CO -0.12 0.85 0.00 0.61 -1.08 0.00 0.00 178.15 178.41 2q4r n GLY 133 N 1.59 2.71 0.00 8.18 0.00 -0.94 0.02 105.19 116.75 2q4r n GLY 133 Ca -0.12 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.63 2q4r n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4r n ARG 134 N 1.48 0.05 0.04 1.61 1.74 -0.75 -2.23 116.66 118.60 2q4r n ARG 134 Ca 0.00 0.21 -0.09 0.00 -0.77 0.00 0.00 57.85 57.21 2q4r n ARG 134 Cb 0.00 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 2q4r n ARG 134 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2q4r h SER 135 N 0.00 0.05 -2.17 0.55 4.64 -1.77 -3.48 113.55 111.37 2q4r h SER 135 Ca 0.00 -0.06 -0.61 0.00 -0.47 0.00 0.00 61.79 60.65 2q4r h SER 135 Cb 0.02 -0.01 0.15 0.00 -0.31 0.00 0.00 62.40 62.25 2q4r h SER 135 CO 0.00 1.05 -0.51 0.00 -0.87 0.00 0.00 176.83 176.50 2q4r s SER 137 N -0.96 4.99 0.38 0.00 1.04 -1.26 -4.75 113.70 113.15 2q4r s SER 137 Ca 0.62 1.45 0.15 0.00 0.48 0.00 0.00 55.95 58.65 2q4r s SER 137 Cb -0.62 -2.26 1.00 0.00 0.10 0.00 0.00 66.02 64.24 2q4r s SER 137 CO 0.59 -1.67 1.81 -0.61 0.98 0.00 0.00 173.24 174.34 2q4r h GLN 138 N -0.88 0.48 -0.93 4.02 -0.00 -1.98 0.21 115.11 116.03 2q4r h GLN 138 Ca -0.45 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2q4r h GLN 138 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 27.48 28.56 2q4r h GLN 138 CO 0.58 0.32 0.56 0.93 0.00 0.00 0.00 178.83 181.23 2q4r h GLU 139 N 0.50 1.25 -0.23 1.69 3.07 -2.00 0.17 114.58 119.03 2q4r h GLU 139 Ca 0.53 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 59.16 2q4r h GLU 139 Cb 1.19 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 2q4r h GLU 139 CO -0.26 0.87 -0.35 0.93 -1.40 0.00 0.00 179.01 178.81 2q4r h GLU 140 N 1.27 0.64 -0.55 2.33 5.08 -1.02 -3.00 114.58 119.34 2q4r h GLU 140 Ca 0.33 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2q4r h GLU 140 Cb -0.07 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2q4r h GLU 140 CO -0.06 1.00 0.34 -0.09 -1.00 0.00 0.00 179.01 179.19 2q4r h ARG 141 N 0.35 0.65 -0.32 2.33 2.43 -0.40 -1.43 114.38 117.99 2q4r h ARG 141 Ca 0.02 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2q4r h ARG 141 Cb 0.93 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2q4r h ARG 141 CO 0.08 0.43 0.19 0.82 -1.51 0.00 0.00 179.97 179.98 2q4r h ILE 142 N 0.67 1.04 -0.94 1.20 1.08 -0.69 0.15 117.51 120.02 2q4r h ILE 142 Ca 0.22 -0.13 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 2q4r h ILE 142 Cb 0.01 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 2q4r h ILE 142 CO -0.09 0.07 0.62 -0.08 -0.69 0.00 0.00 178.15 177.98 2q4r h GLU 143 N 0.39 1.19 0.03 2.37 4.81 -1.33 -0.11 114.58 121.92 2q4r h GLU 143 Ca 0.13 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2q4r h GLU 143 Cb -0.00 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.11 2q4r h GLU 143 CO -0.06 0.78 -0.01 0.35 -0.73 0.00 0.00 179.01 179.35 2q4r h PHE 144 N 1.22 -0.03 -0.95 0.92 3.57 -0.58 -1.90 116.94 119.19 2q4r h PHE 144 Ca 0.36 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.93 2q4r h PHE 144 Cb -0.05 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 2q4r h PHE 144 CO -0.00 0.34 0.62 -0.92 -2.23 0.00 0.00 178.31 176.11 2q4r h TYR 145 N -0.41 1.12 -0.29 0.41 3.20 -0.38 0.33 116.97 120.95 2q4r h TYR 145 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2q4r h TYR 145 Cb 0.38 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2q4r h TYR 145 CO 0.05 0.58 0.07 1.49 -1.64 0.00 0.00 178.16 178.72 2q4r h GLU 146 N 1.10 0.46 -0.66 1.82 4.81 -0.98 -0.81 114.58 120.32 2q4r h GLU 146 Ca 0.41 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2q4r h GLU 146 Cb 0.19 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2q4r h GLU 146 CO -0.16 0.54 0.42 1.25 -0.73 0.00 0.00 179.01 180.34 2q4r h LEU 147 N 0.30 0.71 -0.40 1.64 5.85 -0.38 -2.12 115.31 120.92 2q4r h LEU 147 Ca 0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2q4r h LEU 147 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2q4r h LEU 147 CO 0.00 0.51 0.15 -0.78 -0.34 0.00 0.00 178.44 177.98 2q4r h ASP 148 N 0.85 0.56 -0.73 1.25 3.58 -0.18 0.40 116.42 122.15 2q4r h ASP 148 Ca 0.25 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.59 2q4r h ASP 148 Cb -0.04 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 40.82 2q4r h ASP 148 CO -0.08 0.58 0.48 0.11 -2.88 0.00 0.00 179.24 177.45 2q4r h LYS 149 N 0.50 0.74 0.01 0.28 1.57 -0.89 1.64 116.57 120.43 2q4r h LYS 149 Ca 0.13 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 2q4r h LYS 149 Cb 0.20 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.35 2q4r h LYS 149 CO -0.01 0.49 -0.54 -0.22 -0.57 0.00 0.00 179.45 178.61 2q4r h LYS 150 N 0.77 0.34 -0.21 3.15 3.64 -0.68 -3.37 116.57 120.21 2q4r h LYS 150 Ca 0.32 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2q4r h LYS 150 Cb 0.26 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2q4r h LYS 150 CO -0.11 1.08 0.00 0.39 -2.27 0.00 0.00 179.45 178.54 2q4r n GLU 151 N -4.28 1.83 -4.17 1.90 -0.58 0.14 -4.99 120.64 110.49 2q4r n GLU 151 Ca -0.11 -1.77 -0.30 0.00 -0.42 0.00 0.00 57.16 54.57 2q4r n GLU 151 Cb 0.65 -1.33 -0.06 0.00 -0.57 0.00 0.00 31.44 30.13 2q4r n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2q4r n ASN 152 N 0.88 0.03 -0.00 1.62 4.13 0.56 -4.85 115.26 117.62 2q4r n ASN 152 Ca 0.12 -1.18 -0.10 0.00 1.68 0.00 0.00 54.58 55.09 2q4r n ASN 152 Cb 0.43 -2.13 -0.05 0.00 -1.54 0.00 0.00 39.78 36.50 2q4r n ASN 152 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2q4r h ILE 153 N -1.87 0.94 0.21 2.41 2.04 -1.86 -3.10 117.51 116.28 2q4r h ILE 153 Ca -0.65 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2q4r h ILE 153 Cb 1.39 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2q4r h ILE 153 CO 0.66 0.01 -0.10 0.03 0.00 0.00 0.00 178.15 178.75 2q4r h ARG 154 N 0.05 -0.27 -1.00 2.37 3.08 -1.89 -2.06 114.38 114.66 2q4r h ARG 154 Ca 0.05 0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.34 2q4r h ARG 154 Cb 0.05 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.06 2q4r h ARG 154 CO -0.08 0.04 0.62 0.37 -1.07 0.00 0.00 179.97 179.86 2q4r h GLN 155 N -0.61 0.58 -0.01 0.04 4.15 -1.95 0.54 115.11 117.84 2q4r h GLN 155 Ca -0.03 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.14 2q4r h GLN 155 Cb 0.44 -0.13 0.02 0.00 0.21 0.00 0.00 27.48 28.02 2q4r h GLN 155 CO 0.05 0.38 -0.85 -0.22 -1.93 0.00 0.00 178.83 176.25 2q4r h LYS 156 N 0.59 0.59 -0.17 1.69 3.64 -1.57 -0.90 116.57 120.46 2q4r h LYS 156 Ca 0.58 -0.63 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2q4r h LYS 156 Cb 1.14 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 2q4r h LYS 156 CO -0.35 1.24 -0.51 0.35 -2.27 0.00 0.00 179.45 177.91 2q4r h PHE 157 N 0.20 -1.52 -0.66 1.91 3.04 -0.22 0.18 116.94 119.88 2q4r h PHE 157 Ca -0.10 0.06 0.12 0.00 3.98 0.00 0.00 57.97 62.02 2q4r h PHE 157 Cb 1.53 0.68 -0.08 0.00 2.56 0.00 0.00 35.95 40.64 2q4r h PHE 157 CO 0.12 -0.50 0.23 0.28 -2.02 0.00 0.00 178.31 176.42 2q4r h VAL 158 N -0.51 0.70 -0.71 1.41 2.07 -1.10 -0.96 116.25 117.14 2q4r h VAL 158 Ca 0.04 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2q4r h VAL 158 Cb 0.62 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2q4r h VAL 158 CO -0.43 0.07 0.40 0.00 0.02 0.00 0.00 177.57 177.63 2q4r h ALA 159 N 1.48 0.97 -0.45 1.67 0.00 0.01 1.30 119.26 124.24 2q4r h ALA 159 Ca 0.35 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2q4r h ALA 159 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2q4r h ALA 159 CO -0.37 0.07 0.13 -0.44 0.00 0.00 0.00 179.25 178.64 2q4r h ASP 160 N 0.72 0.67 -0.40 0.00 3.32 0.24 -2.40 116.42 118.56 2q4r h ASP 160 Ca 0.32 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2q4r h ASP 160 Cb 0.22 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2q4r h ASP 160 CO -0.20 0.71 0.02 -0.07 -1.72 0.00 0.00 179.24 177.98 2q4r h LEU 161 N 0.59 0.68 -2.12 1.55 3.38 -0.08 -2.28 115.31 117.04 2q4r h LEU 161 Ca 0.14 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2q4r h LEU 161 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2q4r h LEU 161 CO -0.00 0.81 0.14 -0.09 0.09 0.00 0.00 178.44 179.38 2q4r h ARG 162 N 0.53 0.00 0.00 1.13 2.43 0.18 -2.29 114.38 116.36 2q4r h ARG 162 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2q4r h ARG 162 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2q4r h ARG 162 CO 0.02 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 179.65 2q4r n LYS 163 N -4.23 0.00 0.26 0.20 4.81 -0.92 -2.67 118.16 115.61 2q4r n LYS 163 Ca 0.01 0.43 0.06 0.00 -0.87 0.00 0.00 58.31 57.94 2q4r n LYS 163 Cb 0.26 -0.98 0.33 0.00 0.02 0.00 0.00 35.03 34.66 2q4r n LYS 163 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2q4r h GLU 164 N 0.00 0.00 -0.04 1.64 4.57 -1.42 0.47 114.58 119.80 2q4r h GLU 164 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2q4r h GLU 164 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2q4r h GLU 164 CO 0.00 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 2q4r n PHE 165 N -2.35 0.10 -1.80 0.92 3.72 -0.86 -5.03 117.46 112.15 2q4r n PHE 165 Ca -0.01 -0.81 -0.41 0.00 -0.05 0.00 0.00 57.45 56.17 2q4r n PHE 165 Cb 0.59 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 2q4r n PHE 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4r s ALA 166 N -2.18 3.67 0.00 4.37 0.00 0.16 -2.05 121.76 125.73 2q4r s ALA 166 Ca 0.22 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2q4r s ALA 166 Cb 0.19 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2q4r s ALA 166 CO 0.03 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2q4r n GLY 167 N 1.48 0.98 0.68 0.00 0.00 -1.26 -4.91 105.19 102.16 2q4r n GLY 167 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2q4r n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4r n LYS 168 N -2.00 1.90 -2.67 1.61 4.76 -0.87 -4.93 118.16 115.95 2q4r n LYS 168 Ca 0.00 -1.34 -0.13 0.00 -2.87 0.00 0.00 58.31 53.97 2q4r n LYS 168 Cb 0.00 -1.43 0.02 0.00 -1.84 0.00 0.00 35.03 31.78 2q4r n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q4r n GLY 169 N 1.22 -0.02 3.75 0.72 0.00 -1.26 -4.94 105.19 104.65 2q4r n GLY 169 Ca 0.17 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2q4r n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 170 N -4.05 3.69 -0.09 0.99 1.43 -1.26 0.15 118.68 119.53 2q4r s LEU 170 Ca 0.17 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2q4r s LEU 170 Cb -0.07 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2q4r s LEU 170 CO 0.21 0.17 -0.21 -0.89 0.23 0.00 0.00 176.35 175.86 2q4r s THR 171 N -1.37 2.40 -0.30 5.49 2.01 0.90 -4.70 115.64 120.06 2q4r s THR 171 Ca 0.28 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 2q4r s THR 171 Cb -0.12 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.49 2q4r s THR 171 CO 0.21 0.56 0.03 -0.36 -0.69 0.00 0.00 174.62 174.37 2q4r s PHE 172 N 0.13 3.21 -0.15 4.92 0.08 -1.26 -1.86 117.98 123.05 2q4r s PHE 172 Ca -0.10 -1.57 0.02 0.00 0.12 0.00 0.00 56.93 55.40 2q4r s PHE 172 Cb -0.16 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.14 2q4r s PHE 172 CO 0.06 -0.74 -0.21 0.45 -0.10 0.00 0.00 175.22 174.68 2q4r s SER 173 N 1.34 3.16 0.60 1.36 0.15 0.11 -5.00 113.70 115.41 2q4r s SER 173 Ca -0.02 -0.61 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 2q4r s SER 173 Cb -0.19 -1.46 0.02 0.00 -1.71 0.00 0.00 66.02 62.67 2q4r s SER 173 CO 0.00 0.06 0.90 -0.63 1.20 0.00 0.00 173.24 174.77 2q4r s ILE 174 N 0.96 3.42 0.00 6.45 1.01 -1.26 0.34 121.20 132.12 2q4r s ILE 174 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2q4r s ILE 174 Cb -0.15 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2q4r s ILE 174 CO -0.05 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.13 2q4r n GLY 175 N -2.60 0.62 7.00 6.18 0.00 -1.22 -4.85 105.19 110.33 2q4r n GLY 175 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2q4r n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q4r n GLY 176 N -0.02 0.84 0.01 -0.02 0.00 -1.26 -4.15 105.19 100.59 2q4r n GLY 176 Ca 0.00 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.33 2q4r n GLY 176 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2q4r n GLN 177 N 0.00 0.58 0.00 1.61 6.02 -1.26 -4.78 117.38 119.54 2q4r n GLN 177 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2q4r n GLN 177 Cb 0.00 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.82 2q4r n GLN 177 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2q4r n ILE 178 N -2.16 0.00 -3.96 5.09 -0.00 -1.26 -4.12 119.36 112.95 2q4r n ILE 178 Ca -0.04 -0.40 -0.09 0.00 -0.00 0.00 0.00 62.75 62.22 2q4r n ILE 178 Cb 0.50 1.03 -0.03 0.00 -0.00 0.00 0.00 39.64 41.14 2q4r n ILE 178 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2q4r n SER 179 N -0.69 -0.60 -3.70 7.28 3.41 -1.26 -3.62 113.62 114.44 2q4r n SER 179 Ca 0.00 -2.09 -0.13 0.00 -0.26 0.00 0.00 58.87 56.39 2q4r n SER 179 Cb 0.01 1.19 -0.09 0.00 -0.26 0.00 0.00 64.21 65.05 2q4r n SER 179 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2q4r s PHE 180 N -3.41 -0.55 0.20 7.33 -0.12 0.03 -3.39 117.98 118.08 2q4r s PHE 180 Ca 0.18 1.34 -0.10 0.00 -0.05 0.00 0.00 56.93 58.30 2q4r s PHE 180 Cb 0.00 0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.51 2q4r s PHE 180 CO 0.13 -0.27 0.53 -0.51 -0.05 0.00 0.00 175.22 175.06 2q4r s ASP 181 N 0.26 6.65 -0.11 1.98 1.01 0.15 -1.49 116.67 125.12 2q4r s ASP 181 Ca -0.00 0.92 -0.01 0.00 0.71 0.00 0.00 52.55 54.18 2q4r s ASP 181 Cb -0.03 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.70 2q4r s ASP 181 CO 0.01 -0.03 -0.06 -0.69 0.21 0.00 0.00 175.17 174.61 2q4r s VAL 182 N -1.73 0.91 0.12 -1.27 1.01 0.04 -0.71 120.40 118.78 2q4r s VAL 182 Ca 0.45 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 2q4r s VAL 182 Cb -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2q4r s VAL 182 CO 0.21 0.31 0.26 0.72 0.00 0.00 0.00 175.10 176.59 2q4r s PHE 183 N 1.75 0.16 0.43 5.22 -0.12 -0.77 -0.21 117.98 124.42 2q4r s PHE 183 Ca 0.04 -0.55 -0.25 0.00 -0.05 0.00 0.00 56.93 56.12 2q4r s PHE 183 Cb -0.13 0.01 -0.08 0.00 -0.63 0.00 0.00 43.02 42.19 2q4r s PHE 183 CO -0.08 -0.63 1.30 -2.14 -0.05 0.00 0.00 175.22 173.62 2q4r s PRO 184 N -3.88 3.85 0.19 1.99 0.02 -1.26 -0.07 135.00 135.83 2q4r s PRO 184 Ca 0.08 2.13 -0.33 0.00 0.02 0.00 0.00 61.00 62.91 2q4r s PRO 184 Cb 0.04 -2.67 -0.15 0.00 0.02 0.00 0.00 34.50 31.74 2q4r s PRO 184 CO -0.08 -0.58 1.29 -0.25 -0.33 0.00 0.00 177.00 177.05 2q4r n ASP 185 N -0.06 1.95 0.00 2.53 8.00 0.12 -1.37 116.55 127.72 2q4r n ASP 185 Ca 0.05 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2q4r n ASP 185 Cb 0.44 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 186 N 2.20 0.77 1.49 0.44 0.00 -1.26 -4.93 105.19 103.90 2q4r n GLY 186 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 2q4r n GLY 186 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2q4r n TRP 187 N -2.42 0.38 -3.64 1.61 7.02 -0.47 -3.66 117.44 116.26 2q4r n TRP 187 Ca 0.00 -1.11 -0.23 0.00 -1.02 0.00 0.00 57.50 55.14 2q4r n TRP 187 Cb 0.00 -0.55 -0.00 0.00 -2.42 0.00 0.00 31.31 28.34 2q4r n TRP 187 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2q4r s ASP 188 N 1.35 4.84 0.28 -0.99 -4.77 -1.26 -4.92 116.67 111.19 2q4r s ASP 188 Ca 0.08 -1.03 0.16 0.00 -3.30 0.00 0.00 52.55 48.46 2q4r s ASP 188 Cb 0.06 0.10 1.01 0.00 -1.09 0.00 0.00 42.92 43.00 2q4r s ASP 188 CO 0.00 -1.01 1.17 0.29 0.70 0.00 0.00 175.17 176.32 2q4r n LYS 189 N -1.79 -0.04 -0.50 2.11 5.02 -1.26 0.18 118.16 121.88 2q4r n LYS 189 Ca 0.03 1.01 0.41 0.00 -2.02 0.00 0.00 58.31 57.74 2q4r n LYS 189 Cb 0.63 -1.83 0.72 0.00 -0.02 0.00 0.00 35.03 34.52 2q4r n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q4r h ARG 190 N 0.00 0.06 -0.94 1.97 3.08 -1.86 0.27 114.38 116.96 2q4r h ARG 190 Ca 0.63 -0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.91 2q4r h ARG 190 Cb 1.71 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.68 2q4r h ARG 190 CO -0.55 0.04 0.63 -0.92 -1.07 0.00 0.00 179.97 178.11 2q4r h TYR 191 N 0.06 0.40 0.00 3.04 3.20 -0.34 -0.94 116.97 122.39 2q4r h TYR 191 Ca 0.81 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.66 2q4r h TYR 191 Cb 2.87 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 41.01 2q4r h TYR 191 CO -0.00 0.08 -0.14 0.00 -1.64 0.00 0.00 178.16 176.46 2q4r h LEU 193 N 0.00 0.00 -0.85 0.00 3.38 -1.31 -1.77 115.31 114.75 2q4r h LEU 193 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2q4r h LEU 193 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2q4r h LEU 193 CO 0.02 0.01 0.07 0.08 0.09 0.00 0.00 178.44 178.70 2q4r h ARG 194 N 0.00 0.92 0.00 1.13 0.11 -1.73 -0.72 114.38 114.10 2q4r h ARG 194 Ca -0.00 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2q4r h ARG 194 Cb 0.05 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.01 2q4r h ARG 194 CO 0.00 0.87 0.00 0.72 0.10 0.00 0.00 179.97 181.66 2q4r n HIS 195 N -4.22 0.00 -0.02 4.08 8.25 -0.67 -3.92 115.22 118.72 2q4r n HIS 195 Ca 0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2q4r n HIS 195 Cb 0.28 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 2q4r n HIS 195 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2q4r n VAL 196 N -1.37 0.22 0.00 1.59 0.24 -0.79 -4.76 118.33 113.46 2q4r n VAL 196 Ca 0.07 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2q4r n VAL 196 Cb 0.17 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 2q4r n VAL 196 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2q4r n GLU 197 N -2.45 0.00 -0.20 7.34 0.28 -0.34 -1.79 120.64 123.48 2q4r n GLU 197 Ca -0.06 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 56.99 2q4r n GLU 197 Cb 0.58 -1.07 0.08 0.00 1.43 0.00 0.00 31.44 32.46 2q4r n GLU 197 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2q4r n ASN 198 N -0.52 1.46 -0.95 -1.84 3.02 -1.26 -4.70 115.26 110.47 2q4r n ASN 198 Ca 0.00 -2.55 0.08 0.00 -0.03 0.00 0.00 54.58 52.08 2q4r n ASN 198 Cb 0.00 -0.30 0.23 0.00 -0.61 0.00 0.00 39.78 39.10 2q4r n ASN 198 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2q4r n ASP 199 N -0.83 3.47 0.00 6.41 8.00 -0.74 -4.98 116.55 127.87 2q4r n ASP 199 Ca 0.09 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.46 2q4r n ASP 199 Cb 0.62 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2q4r n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 200 N 0.80 0.47 3.70 0.44 0.00 -1.26 -5.03 105.19 104.31 2q4r n GLY 200 Ca 0.17 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2q4r n GLY 200 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4r s TYR 201 N -2.00 3.38 0.15 1.61 2.02 -1.26 -4.62 117.35 116.62 2q4r s TYR 201 Ca 0.00 1.38 0.01 0.00 -0.37 0.00 0.00 57.07 58.09 2q4r s TYR 201 Cb 0.00 -3.33 -0.04 0.00 -0.40 0.00 0.00 41.96 38.18 2q4r s TYR 201 CO 0.00 -0.91 1.35 0.87 -1.57 0.00 0.00 175.55 175.29 2q4r h LYS 202 N 7.15 0.22 -3.86 -0.62 1.57 -1.50 -3.44 116.57 116.08 2q4r h LYS 202 Ca -0.36 -0.25 -0.33 0.00 -1.87 0.00 0.00 60.65 57.83 2q4r h LYS 202 Cb 1.18 0.07 -0.32 0.00 0.08 0.00 0.00 32.23 33.24 2q4r h LYS 202 CO 0.84 0.99 -0.75 0.99 -0.57 0.00 0.00 179.45 180.95 2q4r s THR 203 N -3.16 0.23 -0.26 -0.16 2.01 -1.22 -5.04 115.64 108.04 2q4r s THR 203 Ca -0.03 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2q4r s THR 203 Cb 0.10 -0.28 0.04 0.00 0.01 0.00 0.00 72.50 72.37 2q4r s THR 203 CO 0.84 0.13 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.19 2q4r s ILE 204 N 0.66 2.58 0.24 1.82 1.01 -1.26 -2.37 121.20 123.88 2q4r s ILE 204 Ca -0.07 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.19 2q4r s ILE 204 Cb -0.10 -2.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 2q4r s ILE 204 CO -0.01 0.08 0.55 -0.31 0.00 0.00 0.00 174.94 175.26 2q4r s TYR 205 N 1.23 3.44 -0.01 3.97 2.02 -0.34 -4.29 117.35 123.36 2q4r s TYR 205 Ca -0.04 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 2q4r s TYR 205 Cb -0.18 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2q4r s TYR 205 CO -0.05 0.24 0.00 0.12 -1.57 0.00 0.00 175.55 174.30 2q4r s PHE 206 N -1.88 0.15 -0.05 2.71 5.36 -1.25 -1.17 117.98 121.85 2q4r s PHE 206 Ca 0.47 0.02 0.05 0.00 -0.96 0.00 0.00 56.93 56.50 2q4r s PHE 206 Cb -0.11 -0.21 -0.00 0.00 -0.34 0.00 0.00 43.02 42.36 2q4r s PHE 206 CO 0.23 -0.06 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.68 2q4r s PHE 207 N 0.52 1.88 -3.24 10.12 0.08 -0.26 -2.26 117.98 124.82 2q4r s PHE 207 Ca -0.05 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.45 2q4r s PHE 207 Cb -0.07 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2q4r s PHE 207 CO -0.01 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 2q4r n GLY 208 N 3.12 -0.86 3.31 4.36 0.00 -1.13 -1.54 105.19 112.44 2q4r n GLY 208 Ca -0.18 -0.99 -0.46 0.00 0.00 0.00 0.00 46.02 44.39 2q4r n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q4r s ASP 209 N -4.00 6.38 0.62 1.61 1.11 -1.26 0.86 116.67 122.00 2q4r s ASP 209 Ca 0.00 -2.20 0.21 0.00 0.18 0.00 0.00 52.55 50.73 2q4r s ASP 209 Cb 0.00 -2.19 0.73 0.00 1.07 0.00 0.00 42.92 42.53 2q4r s ASP 209 CO 0.00 -0.72 1.25 0.07 1.18 0.00 0.00 175.17 176.95 2q4r h LYS 210 N 8.35 0.00 -6.19 8.23 2.10 -1.92 -3.42 116.57 123.73 2q4r h LYS 210 Ca -0.12 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.91 2q4r h LYS 210 Cb 1.07 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.31 2q4r h LYS 210 CO 0.90 0.00 -0.59 0.99 -2.00 0.00 0.00 179.45 178.75 2q4r s THR 211 N -4.34 4.52 -1.09 0.07 2.01 -1.26 0.88 115.64 116.43 2q4r s THR 211 Ca -0.02 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 2q4r s THR 211 Cb 0.11 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 69.35 2q4r s THR 211 CO 0.36 0.08 2.30 0.59 -0.69 0.00 0.00 174.62 177.26 2q4r n ASN 216 N 0.29 5.53 0.00 3.53 3.02 -1.26 -4.59 115.26 121.78 2q4r n ASN 216 Ca -0.09 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 2q4r n ASN 216 Cb 0.52 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2q4r n ASP 217 N 4.49 0.00 -4.69 6.41 -0.08 -1.26 -5.15 116.55 116.27 2q4r n ASP 217 Ca 0.53 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 53.44 2q4r n ASP 217 Cb 0.19 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.58 2q4r n ASP 217 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2q4r s HIS 218 N 0.00 3.41 0.33 -0.67 5.65 0.25 -4.99 115.29 119.27 2q4r s HIS 218 Ca 0.00 0.61 0.02 0.00 0.25 0.00 0.00 55.06 55.94 2q4r s HIS 218 Cb 0.00 -2.46 0.57 0.00 -1.18 0.00 0.00 32.58 29.51 2q4r s HIS 218 CO 0.00 0.08 1.91 0.93 -0.65 0.00 0.00 174.74 177.00 2q4r h GLU 219 N 7.14 0.69 0.00 2.88 3.07 -1.99 -2.57 114.58 123.79 2q4r h GLU 219 Ca -0.38 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.34 2q4r h GLU 219 Cb 1.16 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2q4r h GLU 219 CO 0.73 0.60 -0.17 0.97 -1.40 0.00 0.00 179.01 179.74 2q4r h ILE 220 N 0.68 1.00 0.00 3.13 2.10 -1.94 0.33 117.51 122.81 2q4r h ILE 220 Ca 0.16 -0.59 -0.08 0.00 1.08 0.00 0.00 64.86 65.43 2q4r h ILE 220 Cb 0.19 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 2q4r h ILE 220 CO -0.01 0.16 -0.38 0.15 -1.08 0.00 0.00 178.15 176.99 2q4r h PHE 221 N 0.00 0.00 0.00 2.19 3.57 -1.83 -3.21 116.94 117.67 2q4r h PHE 221 Ca -0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2q4r h PHE 221 Cb 0.32 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2q4r h PHE 221 CO 0.00 0.38 -2.13 0.25 -2.23 0.00 0.00 178.31 174.58 2q4r n THR 222 N -4.07 0.55 -1.34 4.41 -2.24 -0.32 -4.43 114.28 106.83 2q4r n THR 222 Ca -0.02 -0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 2q4r n THR 222 Cb 0.42 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2q4r n THR 222 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2q4r n ASP 223 N -2.46 -2.33 0.25 3.42 -0.08 0.10 -4.85 116.55 110.60 2q4r n ASP 223 Ca -0.15 0.81 0.12 0.00 -1.51 0.00 0.00 54.79 54.06 2q4r n ASP 223 Cb 0.80 -0.96 0.65 0.00 2.34 0.00 0.00 41.12 43.95 2q4r n ASP 223 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2q4r h PRO 224 N 0.39 0.00 0.00 -0.67 0.13 -1.91 -3.09 132.00 126.86 2q4r h PRO 224 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2q4r h PRO 224 Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2q4r h PRO 224 CO 0.47 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 2q4r h ARG 225 N 0.00 0.00 0.00 0.86 3.08 -1.94 -3.52 114.38 112.87 2q4r h ARG 225 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q4r h ARG 225 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2q4r h ARG 225 CO 0.02 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.17 2q4r n THR 226 N -2.84 0.00 -3.61 2.04 -2.24 -1.17 -4.21 114.28 102.25 2q4r n THR 226 Ca 0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2q4r n THR 226 Cb 0.38 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 2q4r n THR 226 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2q4r s GLY 228 N 0.00 -0.34 -0.22 3.38 0.00 -1.26 -4.89 107.32 103.99 2q4r s GLY 228 Ca 0.00 2.18 -0.04 0.00 0.00 0.00 0.00 44.72 46.87 2q4r s GLY 228 CO 0.00 1.54 0.23 -0.19 0.00 0.00 0.00 173.10 174.68 2q4r s TYR 229 N -0.18 -0.30 -0.04 1.90 2.02 -0.96 -4.98 117.35 114.81 2q4r s TYR 229 Ca -0.01 0.16 -0.27 0.00 -0.37 0.00 0.00 57.07 56.58 2q4r s TYR 229 Cb -0.03 -0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 41.12 2q4r s TYR 229 CO -0.00 -0.65 0.88 -1.54 -1.57 0.00 0.00 175.55 172.67 2q4r s SER 230 N 2.33 7.20 -0.04 2.29 1.04 -1.25 -2.83 113.70 122.45 2q4r s SER 230 Ca 0.07 1.46 0.04 0.00 0.48 0.00 0.00 55.95 58.00 2q4r s SER 230 Cb -0.16 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 63.45 2q4r s SER 230 CO -0.15 -0.24 -0.14 0.68 0.98 0.00 0.00 173.24 174.36 2q4r s VAL 231 N 1.12 1.22 0.12 5.02 -7.23 0.25 -4.88 120.40 116.02 2q4r s VAL 231 Ca 0.46 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.95 2q4r s VAL 231 Cb -0.19 -1.05 -0.17 0.00 0.56 0.00 0.00 36.38 35.53 2q4r s VAL 231 CO 0.23 0.36 1.31 0.71 -0.31 0.00 0.00 175.10 177.40 2q4r h THR 232 N 5.26 1.34 -4.03 5.32 1.35 -1.88 -3.35 112.91 116.91 2q4r h THR 232 Ca -0.33 -2.21 -0.15 0.00 -0.55 0.00 0.00 66.41 63.17 2q4r h THR 232 Cb 1.17 2.22 -0.11 0.00 -1.73 0.00 0.00 68.15 69.70 2q4r h THR 232 CO 0.48 0.68 -0.29 0.00 -0.25 0.00 0.00 175.52 176.13 2q4r s ALA 233 N -3.49 0.38 0.57 6.62 0.00 -1.24 -4.72 121.76 119.89 2q4r s ALA 233 Ca -0.08 -1.25 0.27 0.00 0.00 0.00 0.00 51.96 50.90 2q4r s ALA 233 Cb 0.09 1.19 1.57 0.00 0.00 0.00 0.00 23.12 25.97 2q4r s ALA 233 CO 0.88 -0.76 2.07 -1.35 0.00 0.00 0.00 175.76 176.60 2q4r h PRO 234 N 2.35 0.00 0.00 0.00 0.11 -1.43 -1.91 132.00 131.12 2q4r h PRO 234 Ca -0.29 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.69 2q4r h PRO 234 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2q4r h PRO 234 CO 0.41 0.00 -0.59 0.93 -0.21 0.00 0.00 178.00 178.54 2q4r h GLU 235 N 0.00 0.00 -0.02 1.05 3.07 -1.92 -2.74 114.58 114.03 2q4r h GLU 235 Ca 0.12 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.76 2q4r h GLU 235 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2q4r h GLU 235 CO -0.00 0.59 -0.89 -0.44 -1.40 0.00 0.00 179.01 176.87 2q4r h ASP 236 N 0.00 0.55 -0.89 1.42 5.19 -1.74 -2.47 116.42 118.49 2q4r h ASP 236 Ca -0.01 -0.42 0.06 0.00 -0.62 0.00 0.00 57.03 56.05 2q4r h ASP 236 Cb 1.31 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.59 2q4r h ASP 236 CO 0.08 1.21 0.58 0.74 -3.12 0.00 0.00 179.24 178.72 2q4r h THR 237 N 0.26 1.07 -0.06 0.35 2.02 -1.28 -1.56 112.91 113.70 2q4r h THR 237 Ca -0.07 -0.35 -0.25 0.00 0.77 0.00 0.00 66.41 66.51 2q4r h THR 237 Cb 1.52 -0.04 0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2q4r h THR 237 CO 0.16 0.19 -0.93 0.03 0.37 0.00 0.00 175.52 175.33 2q4r h ARG 238 N 1.02 0.73 -0.25 6.66 3.08 -1.35 -1.26 114.38 123.01 2q4r h ARG 238 Ca 0.38 -0.70 0.02 0.00 0.07 0.00 0.00 59.98 59.75 2q4r h ARG 238 Cb 0.19 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2q4r h ARG 238 CO -0.14 1.29 0.11 -0.09 -1.07 0.00 0.00 179.97 180.07 2q4r h ARG 239 N 0.45 0.24 -0.26 0.04 2.43 -0.96 -1.78 114.38 114.53 2q4r h ARG 239 Ca -0.10 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 2q4r h ARG 239 Cb 1.57 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2q4r h ARG 239 CO 0.19 0.16 -0.50 0.82 -1.51 0.00 0.00 179.97 179.12 2q4r h ILE 240 N 0.24 1.29 -0.10 1.20 2.04 -1.35 -2.67 117.51 118.17 2q4r h ILE 240 Ca 0.10 -1.71 0.03 0.00 1.00 0.00 0.00 64.86 64.29 2q4r h ILE 240 Cb 0.04 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2q4r h ILE 240 CO -0.08 0.55 0.09 0.00 0.00 0.00 0.00 178.15 178.71 2q4r h GLU 242 N 0.00 0.70 -1.25 0.00 3.07 -1.00 -2.48 114.58 113.62 2q4r h GLU 242 Ca 0.05 -0.69 -0.31 0.00 -0.50 0.00 0.00 59.36 57.92 2q4r h GLU 242 Cb 0.23 0.18 -0.15 0.00 -0.84 0.00 0.00 28.75 28.17 2q4r h GLU 242 CO -0.00 1.28 0.39 -0.11 -1.40 0.00 0.00 179.01 179.17 2q4r n LEU 243 N -3.87 5.75 0.00 1.33 7.94 -0.24 -3.85 117.00 124.07 2q4r n LEU 243 Ca -0.09 -2.98 0.00 0.00 -1.11 0.00 0.00 56.01 51.82 2q4r n LEU 243 Cb 0.83 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.92 2q4r n LEU 243 CO 0.54 1.02 0.00 -0.11 -1.11 0.00 0.00 177.39 177.73 2q4r n LEU 244 N -0.03 0.00 0.00 -1.96 7.94 -0.97 -5.00 117.00 116.98 2q4r n LEU 244 Ca 0.31 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2q4r n LEU 244 Cb 0.84 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.79 2q4r n LEU 244 CO 0.36 0.00 0.00 0.49 -1.11 0.00 0.00 177.39 177.13 2q4r n PHE 245 N -0.06 0.00 -0.44 1.96 3.72 -0.94 -5.08 117.46 116.63 2q4r n PHE 245 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2q4r n PHE 245 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2q4r n PHE 245 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58