#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 -0.41 3.77 0.55 0.00 -1.26 -4.13 105.19 103.71 2q4r n GLY 5 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 4.16 0.19 1.61 0.02 -1.26 -4.74 135.00 134.98 2q4r s PRO 6 Ca 0.00 2.50 0.02 0.00 0.02 0.00 0.00 61.00 63.54 2q4r s PRO 6 Cb 0.00 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.46 2q4r s PRO 6 CO 0.00 -0.50 0.01 0.00 -0.33 0.00 0.00 177.00 176.18 2q4r s ALA 7 N -0.67 1.47 -0.02 -1.55 0.00 -1.26 -0.16 121.76 119.56 2q4r s ALA 7 Ca 0.56 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2q4r s ALA 7 Cb -0.45 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.29 2q4r s ALA 7 CO 0.55 -0.33 -0.01 -1.17 0.00 0.00 0.00 175.76 174.80 2q4r s LEU 8 N -3.21 1.48 -0.40 0.00 2.96 -0.90 -2.82 118.68 115.79 2q4r s LEU 8 Ca 0.26 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 2q4r s LEU 8 Cb 0.06 -0.21 0.09 0.00 0.50 0.00 0.00 46.19 46.63 2q4r s LEU 8 CO 0.06 -0.05 0.21 0.00 -1.32 0.00 0.00 176.35 175.25 2q4r s LEU 10 N 1.27 4.41 -0.02 0.00 1.43 0.84 -3.59 118.68 123.03 2q4r s LEU 10 Ca 0.04 1.10 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 2q4r s LEU 10 Cb -0.23 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 2q4r s LEU 10 CO -0.01 0.19 -0.19 -0.36 0.23 0.00 0.00 176.35 176.21 2q4r s PHE 11 N -1.30 1.69 0.37 0.29 0.08 -0.58 0.00 117.98 118.52 2q4r s PHE 11 Ca 0.33 -0.32 -0.24 0.00 0.12 0.00 0.00 56.93 56.81 2q4r s PHE 11 Cb -0.16 -1.09 -0.10 0.00 -0.57 0.00 0.00 43.02 41.10 2q4r s PHE 11 CO 0.18 -0.03 0.96 0.34 -0.10 0.00 0.00 175.22 176.56 2q4r s ASP 12 N -0.42 7.15 0.00 1.36 3.68 0.17 -2.80 116.67 125.81 2q4r s ASP 12 Ca 0.07 1.80 0.00 0.00 2.13 0.00 0.00 52.55 56.55 2q4r s ASP 12 Cb -0.07 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.83 2q4r s ASP 12 CO -0.01 -0.20 0.07 1.33 0.13 0.00 0.00 175.17 176.49 2q4r n VAL 13 N 0.10 0.00 -1.73 1.11 0.24 -1.15 -3.38 118.33 113.52 2q4r n VAL 13 Ca 0.04 0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 62.22 2q4r n VAL 13 Cb 0.51 -0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 32.08 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 -1.47 6.41 0.00 -1.34 2.15 -1.26 -0.35 116.67 120.81 2q4r s ASP 14 Ca 0.00 2.81 0.00 0.00 0.43 0.00 0.00 52.55 55.79 2q4r s ASP 14 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2q4r s ASP 14 CO 0.00 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.63 2q4r n GLY 15 N 4.09 3.01 0.14 2.66 0.00 -0.80 -4.74 105.19 109.54 2q4r n GLY 15 Ca 0.17 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 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 1.70 0.83 2.61 -1.04 -1.02 -2.85 114.28 114.51 2q4r n THR 16 Ca 0.00 -0.60 0.09 0.00 -2.04 0.00 0.00 64.05 61.50 2q4r n THR 16 Cb 0.00 -1.68 0.02 0.00 -1.82 0.00 0.00 70.33 66.84 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 -3.49 1.98 -3.64 -4.42 4.77 0.53 -3.03 117.00 109.70 2q4r n LEU 17 Ca -0.36 -0.81 -0.10 0.00 -0.03 0.00 0.00 56.01 54.71 2q4r n LEU 17 Cb 1.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.06 2q4r n LEU 17 CO 0.37 0.36 0.15 0.42 -1.33 0.00 0.00 177.39 177.37 2q4r s THR 18 N -2.03 0.07 0.49 -5.08 -4.23 -1.22 -4.60 115.64 99.05 2q4r s THR 18 Ca 0.17 -0.59 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 2q4r s THR 18 Cb 0.15 -1.16 -0.07 0.00 1.34 0.00 0.00 72.50 72.77 2q4r s THR 18 CO 0.42 -0.32 1.15 0.00 -0.54 0.00 0.00 174.62 175.33 2q4r s ALA 19 N -3.74 2.87 -0.24 3.99 0.00 -1.26 -1.91 121.76 121.47 2q4r s ALA 19 Ca 0.03 0.89 -0.43 0.00 0.00 0.00 0.00 51.96 52.45 2q4r s ALA 19 Cb 0.02 -3.37 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 2q4r s ALA 19 CO -0.12 -0.70 1.43 -2.30 0.00 0.00 0.00 175.76 174.08 2q4r n PRO 20 N -0.80 0.32 0.00 0.00 -0.02 -1.26 -1.34 135.00 131.89 2q4r n PRO 20 Ca 0.09 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2q4r n PRO 20 Cb 0.49 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2q4r n PRO 20 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2q4r n ARG 21 N 3.29 0.00 -1.54 -0.52 0.63 -1.26 -4.94 116.66 112.32 2q4r n ARG 21 Ca 0.25 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.77 2q4r n ARG 21 Cb 0.04 -0.12 0.01 0.00 0.45 0.00 0.00 32.46 32.84 2q4r n ARG 21 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2q4r n GLN 22 N 0.00 0.97 -2.09 -0.14 6.02 -0.45 -4.92 117.38 116.77 2q4r n GLN 22 Ca 0.00 0.35 -0.36 0.00 -0.01 0.00 0.00 57.00 56.98 2q4r n GLN 22 Cb 0.00 -1.78 0.02 0.00 1.02 0.00 0.00 30.24 29.50 2q4r n GLN 22 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2q4r s LYS 23 N -1.79 3.26 0.38 -1.09 2.20 -1.26 -4.29 119.74 117.15 2q4r s LYS 23 Ca 0.63 1.83 -0.26 0.00 -0.36 0.00 0.00 55.97 57.81 2q4r s LYS 23 Cb -0.60 -2.10 -0.11 0.00 -1.51 0.00 0.00 37.83 33.51 2q4r s LYS 23 CO 0.57 -0.98 1.16 1.51 -0.36 0.00 0.00 175.35 177.25 2q4r n ILE 24 N -1.19 2.31 -2.82 5.43 3.06 0.16 -4.75 119.36 121.55 2q4r n ILE 24 Ca 0.11 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.56 2q4r n ILE 24 Cb 0.49 -1.36 -0.03 0.00 0.54 0.00 0.00 39.64 39.28 2q4r n ILE 24 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2q4r s THR 25 N -1.18 4.78 0.37 9.51 -1.32 -1.26 -4.93 115.64 121.60 2q4r s THR 25 Ca 0.60 0.64 0.03 0.00 -1.21 0.00 0.00 61.69 61.75 2q4r s THR 25 Cb -0.56 -3.74 0.26 0.00 -1.51 0.00 0.00 72.50 66.95 2q4r s THR 25 CO 0.59 -0.54 2.02 0.50 -2.21 0.00 0.00 174.62 174.98 2q4r h LYS 26 N 1.21 0.75 0.00 7.08 3.11 -2.01 -1.95 116.57 124.75 2q4r h LYS 26 Ca -0.47 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2q4r h LYS 26 Cb 1.19 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 2q4r h LYS 26 CO 0.64 0.50 0.00 -1.91 -2.81 0.00 0.00 179.45 175.87 2q4r n GLU 27 N -4.44 0.00 0.00 1.90 2.13 -1.26 -1.45 120.64 117.51 2q4r n GLU 27 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2q4r n GLU 27 Cb 0.05 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 30.74 2q4r n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2q4r n ASP 29 N -0.50 0.00 0.22 4.31 2.03 -0.74 -1.52 116.55 120.35 2q4r n ASP 29 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2q4r n ASP 29 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2q4r n ASP 29 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2q4r h ASP 30 N 0.00 -0.49 -0.94 1.67 5.19 -1.51 -1.93 116.42 118.40 2q4r h ASP 30 Ca 0.00 0.02 0.29 0.00 -0.62 0.00 0.00 57.03 56.71 2q4r h ASP 30 Cb 0.00 0.13 -0.16 0.00 0.18 0.00 0.00 39.33 39.48 2q4r h ASP 30 CO 0.00 -0.22 0.32 0.15 -3.12 0.00 0.00 179.24 176.37 2q4r h PHE 31 N -0.85 0.49 -0.49 4.55 3.57 -1.56 0.15 116.94 122.80 2q4r h PHE 31 Ca -0.06 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 2q4r h PHE 31 Cb 0.45 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2q4r h PHE 31 CO 0.04 -0.27 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.58 2q4r h LEU 32 N 0.18 1.02 -1.32 0.59 3.38 -1.81 -1.41 115.31 115.94 2q4r h LEU 32 Ca 0.64 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2q4r h LEU 32 Cb 1.41 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2q4r h LEU 32 CO -0.70 1.18 -0.34 1.56 0.09 0.00 0.00 178.44 180.23 2q4r h GLN 33 N 0.86 0.00 -0.06 1.13 1.08 0.05 0.30 115.11 118.47 2q4r h GLN 33 Ca 0.11 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.18 2q4r h GLN 33 Cb 0.78 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2q4r h GLN 33 CO 0.06 0.34 -0.58 -0.22 -0.95 0.00 0.00 178.83 177.49 2q4r h LYS 34 N 0.00 0.19 0.05 1.46 3.64 -0.90 -3.16 116.57 117.85 2q4r h LYS 34 Ca -0.00 -0.12 -0.22 0.00 -1.27 0.00 0.00 60.65 59.04 2q4r h LYS 34 Cb 0.61 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2q4r h LYS 34 CO 0.04 0.71 -0.88 1.25 -2.27 0.00 0.00 179.45 178.31 2q4r h LEU 35 N 0.14 0.68 -0.37 5.20 5.85 -0.12 -3.26 115.31 123.44 2q4r h LEU 35 Ca -0.00 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2q4r h LEU 35 Cb 1.06 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2q4r h LEU 35 CO 0.09 1.41 0.27 -1.14 -0.34 0.00 0.00 178.44 178.72 2q4r n ARG 36 N -4.03 0.04 0.15 1.25 0.63 0.94 -2.13 116.66 113.50 2q4r n ARG 36 Ca -0.12 0.41 -0.06 0.00 -0.92 0.00 0.00 57.85 57.16 2q4r n ARG 36 Cb 0.81 -1.89 -0.03 0.00 0.45 0.00 0.00 32.46 31.80 2q4r n ARG 36 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2q4r h GLN 37 N 0.00 -0.38 0.00 -0.14 1.08 -1.65 -3.37 115.11 110.65 2q4r h GLN 37 Ca 0.00 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2q4r h GLN 37 Cb 0.54 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2q4r h GLN 37 CO 0.00 -0.25 -0.64 1.57 -0.95 0.00 0.00 178.83 178.56 2q4r h LYS 38 N -0.54 0.00 -4.85 1.46 -0.00 -1.76 -3.45 116.57 107.44 2q4r h LYS 38 Ca -0.04 0.00 -0.49 0.00 -0.00 0.00 0.00 60.65 60.12 2q4r h LYS 38 Cb 0.30 0.00 -0.31 0.00 -0.00 0.00 0.00 32.23 32.22 2q4r h LYS 38 CO 0.07 0.04 -0.81 -1.50 -0.00 0.00 0.00 179.45 177.25 2q4r s ILE 39 N -3.26 1.06 0.70 0.07 2.07 -0.91 -4.86 121.20 116.07 2q4r s ILE 39 Ca 0.02 -0.50 -0.12 0.00 -1.41 0.00 0.00 60.65 58.64 2q4r s ILE 39 Cb 0.08 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.76 2q4r s ILE 39 CO 0.75 0.32 1.09 -0.54 -1.91 0.00 0.00 174.94 174.64 2q4r s LYS 40 N 0.19 2.67 0.07 3.50 -0.14 -1.13 -3.54 119.74 121.37 2q4r s LYS 40 Ca -0.05 1.19 -0.00 0.00 -1.36 0.00 0.00 55.97 55.75 2q4r s LYS 40 Cb -0.10 -1.95 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 2q4r s LYS 40 CO 0.01 -1.33 -0.03 0.96 -0.76 0.00 0.00 175.35 174.21 2q4r s ILE 41 N -2.73 0.32 0.20 2.17 -4.36 -1.26 -1.63 121.20 113.91 2q4r s ILE 41 Ca 0.62 -1.85 -0.23 0.00 -0.26 0.00 0.00 60.65 58.94 2q4r s ILE 41 Cb -0.17 -1.63 0.05 0.00 1.25 0.00 0.00 42.46 41.96 2q4r s ILE 41 CO 0.50 -0.90 0.69 -0.83 0.24 0.00 0.00 174.94 174.64 2q4r s GLY 42 N -2.97 -0.37 0.06 6.27 0.00 -1.24 -0.96 107.32 108.12 2q4r s GLY 42 Ca 0.10 0.18 0.04 0.00 0.00 0.00 0.00 44.72 45.04 2q4r s GLY 42 CO -0.07 0.06 -0.11 -1.34 0.00 0.00 0.00 173.10 171.64 2q4r s VAL 43 N -3.74 0.83 0.01 1.40 -7.23 -0.38 -1.53 120.40 109.77 2q4r s VAL 43 Ca 0.06 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2q4r s VAL 43 Cb -0.03 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 36.01 2q4r s VAL 43 CO -0.04 -0.33 -0.02 0.54 -0.31 0.00 0.00 175.10 174.94 2q4r s VAL 44 N -1.44 0.08 0.13 1.32 0.11 -1.12 0.38 120.40 119.86 2q4r s VAL 44 Ca -0.05 -0.67 -0.25 0.00 -2.93 0.00 0.00 61.98 58.09 2q4r s VAL 44 Cb -0.09 -0.19 0.07 0.00 -1.53 0.00 0.00 36.38 34.63 2q4r s VAL 44 CO 0.01 -0.37 0.75 -0.83 -3.33 0.00 0.00 175.10 171.34 2q4r s GLY 45 N -1.07 -0.43 0.08 6.54 0.00 0.18 -2.93 107.32 109.70 2q4r s GLY 45 Ca -0.12 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 2q4r s GLY 45 CO -0.01 0.14 1.17 -1.33 0.00 0.00 0.00 173.10 173.07 2q4r h GLY 46 N 2.00 0.44 -0.41 0.20 0.00 -1.90 4.44 103.07 107.84 2q4r h GLY 46 Ca -0.27 -0.98 -0.17 0.00 0.00 0.00 0.00 47.33 45.91 2q4r h GLY 46 CO 0.31 0.86 -0.01 1.44 0.00 0.00 0.00 176.54 179.15 2q4r n SER 47 N -3.65 -2.17 -4.90 0.19 7.64 -1.26 -3.70 113.62 105.77 2q4r n SER 47 Ca -0.10 -0.62 -0.21 0.00 1.01 0.00 0.00 58.87 58.96 2q4r n SER 47 Cb 0.97 -0.45 0.06 0.00 -1.01 0.00 0.00 64.21 63.78 2q4r n SER 47 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2q4r s ASP 48 N -2.68 5.01 0.23 6.43 1.47 -1.26 0.77 116.67 126.64 2q4r s ASP 48 Ca 0.31 -0.30 -0.06 0.00 1.18 0.00 0.00 52.55 53.69 2q4r s ASP 48 Cb -0.04 -0.40 0.35 0.00 -0.34 0.00 0.00 42.92 42.48 2q4r s ASP 48 CO 0.25 -1.35 1.80 0.15 0.68 0.00 0.00 175.17 176.70 2q4r h PHE 49 N -0.03 0.77 -0.75 2.11 3.57 -1.96 -0.96 116.94 119.69 2q4r h PHE 49 Ca -0.38 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.29 2q4r h PHE 49 Cb 1.28 -0.23 -0.14 0.00 2.79 0.00 0.00 35.95 39.65 2q4r h PHE 49 CO 0.21 0.32 -0.21 0.93 -2.23 0.00 0.00 178.31 177.32 2q4r h GLU 50 N 0.73 -0.02 -0.22 1.11 5.08 -2.02 0.28 114.58 119.52 2q4r h GLU 50 Ca 0.37 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.62 2q4r h GLU 50 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2q4r h GLU 50 CO -0.24 -0.01 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.20 2q4r h LYS 51 N -0.02 0.47 -0.51 2.33 1.63 -1.58 -3.25 116.57 115.64 2q4r h LYS 51 Ca 0.35 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 2q4r h LYS 51 Cb 0.56 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2q4r h LYS 51 CO -0.78 0.75 0.22 0.28 -3.45 0.00 0.00 179.45 176.47 2q4r h VAL 52 N 0.40 1.21 -0.30 2.00 2.07 -0.26 -2.89 116.25 118.48 2q4r h VAL 52 Ca 0.05 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2q4r h VAL 52 Cb 0.78 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2q4r h VAL 52 CO 0.06 0.24 0.20 1.56 0.02 0.00 0.00 177.57 179.65 2q4r h GLN 53 N 0.68 0.40 -0.88 1.57 4.20 -1.49 0.27 115.11 119.86 2q4r h GLN 53 Ca 0.17 -0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.06 2q4r h GLN 53 Cb 0.16 -0.09 -0.12 0.00 0.30 0.00 0.00 27.48 27.73 2q4r h GLN 53 CO -0.02 0.27 0.38 0.93 -0.67 0.00 0.00 178.83 179.72 2q4r h GLU 54 N 0.41 0.40 0.15 1.46 5.08 -1.56 0.69 114.58 121.20 2q4r h GLU 54 Ca 0.11 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 2q4r h GLU 54 Cb -0.04 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.14 2q4r h GLU 54 CO -0.02 0.27 -0.85 1.96 -1.00 0.00 0.00 179.01 179.36 2q4r h GLN 55 N 0.42 0.31 -0.51 2.33 4.20 -1.18 -3.38 115.11 117.30 2q4r h GLN 55 Ca 0.54 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2q4r h GLN 55 Cb 0.98 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2q4r h GLN 55 CO -0.51 1.26 0.00 1.28 -0.67 0.00 0.00 178.83 180.19 2q4r n LEU 56 N -4.10 4.60 -0.20 1.46 4.77 0.87 0.39 117.00 124.79 2q4r n LEU 56 Ca -0.14 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 2q4r n LEU 56 Cb 0.84 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2q4r n LEU 56 CO 0.49 0.73 -0.05 0.61 -1.33 0.00 0.00 177.39 177.84 2q4r n GLY 57 N 0.56 -3.36 0.43 -0.72 0.00 0.24 -4.21 105.19 98.12 2q4r n GLY 57 Ca 0.24 -1.00 0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 0.27 0.00 -0.53 1.61 2.35 -1.93 0.13 115.58 117.49 2q4r h ASN 58 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2q4r h ASN 58 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.27 2q4r h ASN 58 CO 0.00 0.00 0.21 -0.90 -1.65 0.00 0.00 177.43 175.09 2q4r n ASP 59 N -3.23 3.92 -0.29 5.81 5.75 -1.26 -4.69 116.55 122.56 2q4r n ASP 59 Ca 0.11 -2.86 -0.01 0.00 -0.01 0.00 0.00 54.79 52.02 2q4r n ASP 59 Cb 0.98 -0.68 0.06 0.00 -1.03 0.00 0.00 41.12 40.45 2q4r n ASP 59 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2q4r h VAL 60 N 1.79 0.13 -0.03 2.12 3.04 -0.90 -0.13 116.25 122.27 2q4r h VAL 60 Ca 0.20 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.90 2q4r h VAL 60 Cb 1.88 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2q4r h VAL 60 CO 0.54 0.00 0.09 -0.37 -1.01 0.00 0.00 177.57 176.81 2q4r h VAL 61 N -0.06 0.15 0.00 1.51 -1.51 -1.86 -0.60 116.25 113.88 2q4r h VAL 61 Ca 0.33 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.75 2q4r h VAL 61 Cb 0.59 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 2q4r h VAL 61 CO -0.83 0.00 -0.82 -0.33 -1.23 0.00 0.00 177.57 174.36 2q4r h GLU 62 N 0.00 0.00 0.00 5.19 5.08 -1.40 -3.36 114.58 120.09 2q4r h GLU 62 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2q4r h GLU 62 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2q4r h GLU 62 CO -0.00 0.13 -1.08 0.87 -1.00 0.00 0.00 179.01 177.93 2q4r h LYS 63 N 0.00 0.00 -6.14 2.33 1.79 -0.97 -3.47 116.57 110.11 2q4r h LYS 63 Ca -0.04 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.86 2q4r h LYS 63 Cb 1.18 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.59 2q4r h LYS 63 CO 0.02 0.17 -0.84 0.71 -1.08 0.00 0.00 179.45 178.43 2q4r s TYR 64 N -3.13 1.81 0.24 -1.35 2.02 -1.00 -4.86 117.35 111.08 2q4r s TYR 64 Ca -0.01 -0.39 0.15 0.00 -0.37 0.00 0.00 57.07 56.44 2q4r s TYR 64 Cb 0.09 -1.04 0.54 0.00 -0.40 0.00 0.00 41.96 41.15 2q4r s TYR 64 CO 0.79 0.15 1.69 -0.44 -1.57 0.00 0.00 175.55 176.17 2q4r h ASP 65 N 4.47 0.00 -4.29 2.29 3.32 -1.34 -3.42 116.42 117.46 2q4r h ASP 65 Ca -0.44 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.29 2q4r h ASP 65 Cb 1.17 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.47 2q4r h ASP 65 CO 0.42 0.48 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.36 2q4r s TYR 66 N -3.66 0.61 -0.04 4.55 2.02 -0.32 -1.85 117.35 118.65 2q4r s TYR 66 Ca -0.01 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2q4r s TYR 66 Cb 0.12 -0.37 0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2q4r s TYR 66 CO 0.72 -0.04 0.04 0.08 -1.57 0.00 0.00 175.55 174.79 2q4r s VAL 67 N -0.69 -0.01 -0.59 0.71 1.01 -0.53 -1.25 120.40 119.05 2q4r s VAL 67 Ca -0.03 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.31 2q4r s VAL 67 Cb -0.06 -0.20 0.17 0.00 0.00 0.00 0.00 36.38 36.29 2q4r s VAL 67 CO 0.00 0.17 0.42 -0.36 0.00 0.00 0.00 175.10 175.33 2q4r s PHE 68 N 1.81 2.72 0.67 5.22 0.08 1.22 -0.69 117.98 129.02 2q4r s PHE 68 Ca 0.01 -2.97 -0.11 0.00 0.12 0.00 0.00 56.93 53.97 2q4r s PHE 68 Cb -0.12 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2q4r s PHE 68 CO -0.03 -0.65 1.05 -2.14 -0.10 0.00 0.00 175.22 173.35 2q4r s PRO 69 N -0.84 3.12 -1.36 0.24 0.02 -1.08 0.50 135.00 135.60 2q4r s PRO 69 Ca 0.26 0.83 -0.01 0.00 0.02 0.00 0.00 61.00 62.11 2q4r s PRO 69 Cb -0.04 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.46 2q4r s PRO 69 CO -0.16 -0.93 0.59 0.39 -0.33 0.00 0.00 177.00 176.56 2q4r n GLU 70 N -3.00 -4.24 -2.13 5.54 1.02 0.32 -1.27 120.64 116.87 2q4r n GLU 70 Ca 0.07 0.53 -0.17 0.00 -0.02 0.00 0.00 57.16 57.57 2q4r n GLU 70 Cb 0.54 -4.92 -0.03 0.00 -0.02 0.00 0.00 31.44 27.01 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 -3.01 -4.74 0.00 1.62 3.02 1.38 -0.66 115.26 112.86 2q4r n ASN 71 Ca -0.29 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2q4r n ASN 71 Cb 0.67 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 2q4r n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4r n GLY 72 N -0.73 0.74 0.25 7.41 0.00 -0.40 -2.78 105.19 109.69 2q4r n GLY 72 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -8.50 0.99 3.38 -0.83 -3.36 115.31 106.99 2q4r h LEU 73 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 2q4r h LEU 73 Cb 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.46 2q4r h LEU 73 CO 0.00 0.17 -0.80 -0.69 0.09 0.00 0.00 178.44 177.21 2q4r s VAL 74 N -4.13 2.75 -0.05 1.22 1.01 -1.12 -3.15 120.40 116.92 2q4r s VAL 74 Ca -0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2q4r s VAL 74 Cb 0.13 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.40 2q4r s VAL 74 CO 0.61 0.53 0.13 0.00 0.00 0.00 0.00 175.10 176.37 2q4r s ALA 75 N 0.46 -0.26 0.19 5.51 0.00 -1.24 -2.64 121.76 123.77 2q4r s ALA 75 Ca -0.11 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.46 2q4r s ALA 75 Cb -0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2q4r s ALA 75 CO 0.05 -0.11 -0.19 0.71 0.00 0.00 0.00 175.76 176.23 2q4r s TYR 76 N 0.66 2.43 -0.29 0.00 2.02 0.13 -1.41 117.35 120.88 2q4r s TYR 76 Ca -0.05 -0.31 -0.03 0.00 -0.37 0.00 0.00 57.07 56.31 2q4r s TYR 76 Cb -0.07 -1.20 0.17 0.00 -0.40 0.00 0.00 41.96 40.46 2q4r s TYR 76 CO -0.03 0.50 0.59 0.21 -1.57 0.00 0.00 175.55 175.25 2q4r s LYS 77 N -2.71 0.55 0.00 -0.62 2.36 -1.18 -1.46 119.74 116.68 2q4r s LYS 77 Ca 0.22 1.08 0.00 0.00 -2.55 0.00 0.00 55.97 54.73 2q4r s LYS 77 Cb -0.08 0.55 0.00 0.00 -1.05 0.00 0.00 37.83 37.25 2q4r s LYS 77 CO 0.12 -0.51 0.00 -0.25 1.55 0.00 0.00 175.35 176.26 2q4r n ASP 78 N 5.43 -3.90 0.00 1.43 10.43 -0.77 -3.14 116.55 126.03 2q4r n ASP 78 Ca -0.04 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.32 2q4r n ASP 78 Cb 0.50 -1.46 0.00 0.00 1.84 0.00 0.00 41.12 42.00 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 -1.71 0.31 3.54 0.44 0.00 -1.26 -5.00 105.19 101.51 2q4r n GLY 79 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.88 3.13 0.85 1.61 2.20 -1.19 -5.05 119.74 120.41 2q4r s LYS 80 Ca 0.00 -0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 54.92 2q4r s LYS 80 Cb 0.00 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2q4r s LYS 80 CO 0.00 0.49 0.25 1.28 -0.36 0.00 0.00 175.35 177.01 2q4r n LEU 81 N 2.76 -0.85 0.10 5.43 4.77 -1.26 -3.10 117.00 124.86 2q4r n LEU 81 Ca -0.18 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2q4r n LEU 81 Cb 0.53 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2q4r n LEU 81 CO 0.29 -3.85 0.00 -0.11 -1.33 0.00 0.00 177.39 172.39 2q4r n LEU 82 N -0.06 0.37 -4.06 2.23 7.94 -0.50 -4.87 117.00 118.05 2q4r n LEU 82 Ca 0.07 0.33 -0.09 0.00 -1.11 0.00 0.00 56.01 55.21 2q4r n LEU 82 Cb 0.52 0.08 -0.10 0.00 0.53 0.00 0.00 43.42 44.45 2q4r n LEU 82 CO 0.51 -0.77 -0.37 0.00 -1.11 0.00 0.00 177.39 175.65 2q4r n ARG 84 N 0.72 0.24 -3.72 0.00 1.74 -1.25 -3.69 116.66 110.70 2q4r n ARG 84 Ca -0.18 -3.08 -0.33 0.00 -0.77 0.00 0.00 57.85 53.49 2q4r n ARG 84 Cb 0.58 -1.63 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 2q4r n ARG 84 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2q4r s GLN 85 N 0.06 3.60 0.05 5.56 2.00 -1.19 -5.09 119.66 124.67 2q4r s GLN 85 Ca 0.33 -0.09 -0.08 0.00 -2.00 0.00 0.00 55.36 53.52 2q4r s GLN 85 Cb 0.04 -2.97 -0.00 0.00 0.80 0.00 0.00 33.01 30.88 2q4r s GLN 85 CO -0.18 0.56 0.17 0.54 -0.50 0.00 0.00 175.29 175.87 2q4r s ASN 86 N -2.10 0.10 0.33 6.67 2.20 -1.26 -4.79 114.94 116.10 2q4r s ASN 86 Ca 0.34 -0.51 0.11 0.00 -0.94 0.00 0.00 52.86 51.86 2q4r s ASN 86 Cb -0.13 0.29 0.92 0.00 -2.00 0.00 0.00 41.25 40.33 2q4r s ASN 86 CO 0.21 -0.60 1.74 -0.29 -2.94 0.00 0.00 177.10 175.21 2q4r h ILE 87 N 3.26 0.54 -0.13 0.54 2.10 -0.70 0.13 117.51 123.24 2q4r h ILE 87 Ca -0.33 -0.19 -0.15 0.00 1.08 0.00 0.00 64.86 65.27 2q4r h ILE 87 Cb 1.19 -0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 2q4r h ILE 87 CO 0.52 0.10 -0.56 0.06 -1.08 0.00 0.00 178.15 177.18 2q4r h GLN 88 N 0.56 0.41 0.10 2.19 -0.00 -1.88 0.06 115.11 116.54 2q4r h GLN 88 Ca 0.64 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.65 59.02 2q4r h GLN 88 Cb 1.27 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 2q4r h GLN 88 CO -0.45 0.86 -0.05 0.77 -0.00 0.00 0.00 178.83 179.97 2q4r h SER 89 N 0.31 -0.11 0.09 0.06 0.02 -1.39 0.71 113.55 113.24 2q4r h SER 89 Ca 0.00 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2q4r h SER 89 Cb 1.08 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2q4r h SER 89 CO 0.10 0.41 -0.05 -0.74 -1.14 0.00 0.00 176.83 175.41 2q4r h HIS 90 N -0.68 -0.12 0.06 3.45 -0.00 -1.18 -3.27 115.15 113.42 2q4r h HIS 90 Ca -0.01 -0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.11 2q4r h HIS 90 Cb 0.53 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 2q4r h HIS 90 CO 0.09 0.09 -1.15 -0.07 -0.00 0.00 0.00 177.93 176.89 2q4r h LEU 91 N -0.30 0.21 0.00 0.26 3.38 -1.09 -3.51 115.31 114.26 2q4r h LEU 91 Ca -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2q4r h LEU 91 Cb 0.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2q4r h LEU 91 CO 0.02 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.34 2q4r n GLY 92 N 1.45 1.52 0.34 0.83 0.00 0.25 -4.57 105.19 105.00 2q4r n GLY 92 Ca -0.05 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 0.82 -0.37 1.61 4.39 -1.89 -1.85 114.58 117.29 2q4r h GLU 93 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2q4r h GLU 93 Cb 0.00 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 2q4r h GLU 93 CO 0.00 0.54 0.17 0.00 -1.16 0.00 0.00 179.01 178.57 2q4r h ALA 94 N 1.56 0.48 -0.53 3.43 0.00 -1.93 -1.16 119.26 121.11 2q4r h ALA 94 Ca 0.50 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 2q4r h ALA 94 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2q4r h ALA 94 CO -0.31 0.06 0.08 1.25 0.00 0.00 0.00 179.25 180.32 2q4r h LEU 95 N 0.46 0.84 -0.26 0.00 5.85 -1.73 -1.10 115.31 119.37 2q4r h LEU 95 Ca 0.13 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2q4r h LEU 95 Cb 0.14 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 2q4r h LEU 95 CO -0.01 0.89 -0.31 0.40 -0.34 0.00 0.00 178.44 179.07 2q4r h ILE 96 N 0.76 0.28 -0.44 4.05 1.08 -1.07 -1.14 117.51 121.03 2q4r h ILE 96 Ca 0.16 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.57 2q4r h ILE 96 Cb 0.41 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2q4r h ILE 96 CO 0.01 0.00 0.01 1.56 -0.69 0.00 0.00 178.15 179.04 2q4r h GLN 97 N -0.31 0.71 -0.59 2.37 4.20 -1.01 -1.48 115.11 119.00 2q4r h GLN 97 Ca 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2q4r h GLN 97 Cb 0.53 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2q4r h GLN 97 CO -0.43 0.71 0.34 -0.44 -0.67 0.00 0.00 178.83 178.34 2q4r h ASP 98 N 0.67 0.72 -0.33 1.46 3.45 -0.40 1.07 116.42 123.06 2q4r h ASP 98 Ca 0.14 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 2q4r h ASP 98 Cb 0.40 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 2q4r h ASP 98 CO 0.01 0.59 0.09 -0.07 -1.57 0.00 0.00 179.24 178.30 2q4r h LEU 99 N 0.79 0.49 0.15 1.55 3.38 -0.98 -0.42 115.31 120.28 2q4r h LEU 99 Ca 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2q4r h LEU 99 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2q4r h LEU 99 CO -0.04 0.58 -0.07 0.40 0.09 0.00 0.00 178.44 179.40 2q4r h ILE 100 N 0.38 0.97 -0.70 1.22 2.04 -0.96 0.04 117.51 120.49 2q4r h ILE 100 Ca 0.10 -0.50 0.14 0.00 1.00 0.00 0.00 64.86 65.60 2q4r h ILE 100 Cb 0.27 1.28 -0.13 0.00 -0.74 0.00 0.00 36.82 37.50 2q4r h ILE 100 CO -0.00 0.12 -0.17 0.78 0.00 0.00 0.00 178.15 178.87 2q4r h ASN 101 N -0.44 -0.65 0.66 1.72 4.21 0.13 0.42 115.58 121.64 2q4r h ASN 101 Ca -0.02 0.21 -0.03 0.00 1.21 0.00 0.00 56.30 57.67 2q4r h ASN 101 Cb 0.35 0.43 0.01 0.00 -1.12 0.00 0.00 38.32 37.99 2q4r h ASN 101 CO 0.03 -0.23 -0.32 0.22 -1.29 0.00 0.00 177.43 175.84 2q4r h TYR 102 N 0.00 -0.83 -0.99 1.19 3.20 -0.88 -3.03 116.97 115.63 2q4r h TYR 102 Ca 0.34 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.31 2q4r h TYR 102 Cb 0.51 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 38.97 2q4r h TYR 102 CO -0.56 -0.48 0.63 0.00 -1.64 0.00 0.00 178.16 176.11 2q4r h LEU 104 N 0.96 -0.25 0.63 0.00 3.38 -0.92 -2.62 115.31 116.48 2q4r h LEU 104 Ca 0.50 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.50 2q4r h LEU 104 Cb 0.53 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2q4r h LEU 104 CO -0.26 -0.10 -0.30 0.28 0.09 0.00 0.00 178.44 178.14 2q4r h SER 105 N -0.06 -0.71 -0.82 -0.43 0.02 -1.32 -2.87 113.55 107.36 2q4r h SER 105 Ca 0.09 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 2q4r h SER 105 Cb 0.19 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 62.79 2q4r h SER 105 CO -0.19 -0.47 -0.48 0.22 -1.14 0.00 0.00 176.83 174.76 2q4r h TYR 106 N -0.90 -1.47 -0.83 3.45 3.20 -1.40 0.71 116.97 119.73 2q4r h TYR 106 Ca -0.09 0.10 0.13 0.00 3.14 0.00 0.00 58.73 62.02 2q4r h TYR 106 Cb 0.66 0.75 -0.09 0.00 1.54 0.00 0.00 36.73 39.60 2q4r h TYR 106 CO -0.02 -0.41 0.43 0.82 -1.64 0.00 0.00 178.16 177.34 2q4r h ILE 107 N -0.10 0.76 -0.17 1.81 2.04 -1.46 -0.16 117.51 120.23 2q4r h ILE 107 Ca 0.21 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2q4r h ILE 107 Cb 0.52 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2q4r h ILE 107 CO -0.85 0.12 0.12 0.00 0.00 0.00 0.00 178.15 177.53 2q4r h ALA 108 N 1.53 2.03 0.00 1.87 0.00 -0.63 -2.52 119.26 121.54 2q4r h ALA 108 Ca 0.44 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.24 2q4r h ALA 108 Cb 0.59 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2q4r h ALA 108 CO -0.34 -0.06 -1.04 0.87 0.00 0.00 0.00 179.25 178.68 2q4r h LYS 109 N 0.10 0.00 -7.10 0.00 1.57 -0.64 -3.47 116.57 107.03 2q4r h LYS 109 Ca 0.07 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.30 2q4r h LYS 109 Cb 0.16 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.62 2q4r h LYS 109 CO -0.01 0.26 0.51 0.42 -0.57 0.00 0.00 179.45 180.07 2q4r s ILE 110 N -3.04 2.15 -0.23 1.86 1.01 -0.85 -5.00 121.20 117.10 2q4r s ILE 110 Ca -0.00 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 2q4r s ILE 110 Cb 0.08 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2q4r s ILE 110 CO 0.78 -0.02 0.02 -0.54 0.00 0.00 0.00 174.94 175.18 2q4r s LYS 111 N -3.34 3.53 0.16 2.79 -0.14 -1.26 -5.03 119.74 116.45 2q4r s LYS 111 Ca 0.81 -0.55 0.02 0.00 -1.36 0.00 0.00 55.97 54.90 2q4r s LYS 111 Cb -0.36 -3.17 -0.05 0.00 -1.68 0.00 0.00 37.83 32.57 2q4r s LYS 111 CO 0.39 -0.19 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.26 2q4r s LEU 112 N 1.53 2.22 0.28 3.17 1.43 -1.26 -5.03 118.68 121.03 2q4r s LEU 112 Ca 0.06 -1.13 0.11 0.00 -1.03 0.00 0.00 54.13 52.13 2q4r s LEU 112 Cb -0.15 -0.10 0.40 0.00 0.03 0.00 0.00 46.19 46.38 2q4r s LEU 112 CO 0.00 -0.53 1.64 1.55 0.23 0.00 0.00 176.35 179.25 2q4r h PRO 113 N 2.74 0.01 -3.61 1.29 0.13 -1.98 -3.45 132.00 127.12 2q4r h PRO 113 Ca -0.36 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.65 2q4r h PRO 113 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2q4r h PRO 113 CO 0.63 0.59 -0.39 0.15 -0.23 0.00 0.00 178.00 178.75 2q4r s LYS 114 N -3.69 0.72 0.00 0.86 1.02 -1.26 -5.16 119.74 112.23 2q4r s LYS 114 Ca -0.02 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.29 2q4r s LYS 114 Cb 0.13 0.30 -0.00 0.00 -0.52 0.00 0.00 37.83 37.73 2q4r s LYS 114 CO 0.76 -0.21 -0.01 0.15 -0.92 0.00 0.00 175.35 175.12 2q4r s LYS 115 N -2.80 0.05 0.00 1.68 1.02 -1.26 -4.80 119.74 113.64 2q4r s LYS 115 Ca -0.03 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.90 2q4r s LYS 115 Cb 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 2q4r s LYS 115 CO -0.05 0.00 0.00 0.54 -0.92 0.00 0.00 175.35 174.92 2q4r n ARG 116 N 2.96 0.00 -3.99 1.68 5.12 0.47 -5.05 116.66 117.85 2q4r n ARG 116 Ca -0.13 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.68 2q4r n ARG 116 Cb 0.60 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.86 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 0.79 -1.03 -0.13 0.00 -1.25 -4.95 107.32 100.75 2q4r s GLY 117 Ca 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 2q4r s GLY 117 CO 0.00 -0.67 0.90 2.41 0.00 0.00 0.00 173.10 175.74 2q4r n THR 118 N -0.47 -9.21 0.30 0.90 -1.04 -1.26 -2.17 114.28 101.32 2q4r n THR 118 Ca -0.02 -1.25 0.13 0.00 -2.04 0.00 0.00 64.05 60.86 2q4r n THR 118 Cb 0.61 -6.52 0.30 0.00 -1.82 0.00 0.00 70.33 62.90 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 -0.97 0.00 -3.32 -1.42 0.04 -1.91 -2.23 116.94 107.13 2q4r h PHE 119 Ca -0.56 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 59.84 2q4r h PHE 119 Cb 1.29 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 39.05 2q4r h PHE 119 CO 0.29 0.00 -0.74 0.42 -0.60 0.00 0.00 178.31 177.68 2q4r s ILE 120 N -3.26 -0.11 -0.31 -0.55 1.01 -1.26 -1.17 121.20 115.55 2q4r s ILE 120 Ca 0.07 0.42 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 2q4r s ILE 120 Cb 0.07 -0.15 0.05 0.00 0.01 0.00 0.00 42.46 42.44 2q4r s ILE 120 CO 0.63 0.18 0.04 -0.70 0.00 0.00 0.00 174.94 175.08 2q4r s GLU 121 N 2.12 2.51 -0.12 2.79 2.12 0.86 -4.96 118.70 124.01 2q4r s GLU 121 Ca 0.04 -1.23 -0.29 0.00 0.36 0.00 0.00 54.97 53.85 2q4r s GLU 121 Cb -0.12 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2q4r s GLU 121 CO -0.03 -0.63 1.06 0.12 -0.54 0.00 0.00 175.26 175.24 2q4r s PHE 122 N 1.31 3.39 0.19 5.30 5.36 -1.26 -1.21 117.98 131.05 2q4r s PHE 122 Ca -0.04 1.47 0.10 0.00 -0.96 0.00 0.00 56.93 57.50 2q4r s PHE 122 Cb -0.20 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.18 2q4r s PHE 122 CO 0.00 -0.54 -0.21 1.03 -1.46 0.00 0.00 175.22 174.04 2q4r s ARG 123 N 2.36 1.41 0.20 10.12 0.52 -1.26 -5.00 118.95 127.30 2q4r s ARG 123 Ca 0.49 -1.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.08 2q4r s ARG 123 Cb -0.19 -1.58 0.24 0.00 0.52 0.00 0.00 34.95 33.94 2q4r s ARG 123 CO 0.16 0.33 1.65 -0.91 0.02 0.00 0.00 175.30 176.55 2q4r h ASN 124 N 3.14 -0.41 -0.56 0.23 2.35 -1.96 -3.42 115.58 114.95 2q4r h ASN 124 Ca -0.44 0.16 -0.28 0.00 -0.55 0.00 0.00 56.30 55.19 2q4r h ASN 124 Cb 1.21 0.31 -0.17 0.00 0.05 0.00 0.00 38.32 39.73 2q4r h ASN 124 CO 0.50 -0.16 0.16 0.61 -1.65 0.00 0.00 177.43 176.90 2q4r n GLY 125 N -1.38 4.70 3.33 2.83 0.00 -1.26 -0.01 105.19 113.40 2q4r n GLY 125 Ca 0.07 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.24 2.16 -0.17 0.99 1.43 0.24 -4.38 118.68 115.69 2q4r s LEU 127 Ca 0.49 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2q4r s LEU 127 Cb 0.43 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2q4r s LEU 127 CO 0.04 0.31 -0.17 0.21 0.23 0.00 0.00 176.35 176.97 2q4r s ASN 128 N -0.56 3.06 0.02 2.29 3.84 -0.35 0.40 114.94 123.65 2q4r s ASN 128 Ca 0.08 -0.65 0.01 0.00 0.21 0.00 0.00 52.86 52.52 2q4r s ASN 128 Cb -0.11 -1.35 -0.04 0.00 -0.55 0.00 0.00 41.25 39.20 2q4r s ASN 128 CO -0.00 -0.04 0.05 -0.69 -2.79 0.00 0.00 177.10 173.63 2q4r s VAL 129 N 1.36 4.46 -0.22 -5.21 1.01 -0.87 -0.10 120.40 120.83 2q4r s VAL 129 Ca 0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2q4r s VAL 129 Cb -0.14 -3.05 0.12 0.00 0.00 0.00 0.00 36.38 33.31 2q4r s VAL 129 CO -0.11 0.29 0.35 -0.55 0.00 0.00 0.00 175.10 175.08 2q4r s SER 130 N -1.87 0.32 0.34 3.32 0.15 -0.32 -1.15 113.70 114.50 2q4r s SER 130 Ca 0.23 0.32 0.06 0.00 0.70 0.00 0.00 55.95 57.26 2q4r s SER 130 Cb -0.12 1.02 0.71 0.00 -1.71 0.00 0.00 66.02 65.92 2q4r s SER 130 CO 0.15 -0.29 1.90 -0.65 1.20 0.00 0.00 173.24 175.56 2q4r h PRO 131 N 8.21 0.78 0.10 5.44 0.11 -1.85 -2.19 132.00 142.59 2q4r h PRO 131 Ca -0.18 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 65.60 2q4r h PRO 131 Cb 1.14 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2q4r h PRO 131 CO 0.24 0.52 -1.36 0.97 -0.21 0.00 0.00 178.00 178.16 2q4r h ILE 132 N 0.81 1.35 0.00 4.15 2.10 -1.87 -3.45 117.51 120.59 2q4r h ILE 132 Ca 0.40 -2.98 0.00 0.00 1.08 0.00 0.00 64.86 63.35 2q4r h ILE 132 Cb 0.45 2.82 0.00 0.00 -1.09 0.00 0.00 36.82 39.00 2q4r h ILE 132 CO -0.16 0.85 0.00 0.61 -1.08 0.00 0.00 178.15 178.37 2q4r n GLY 133 N 1.56 2.45 0.00 8.18 0.00 -0.82 -0.39 105.19 116.16 2q4r n GLY 133 Ca -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 1.86 0.01 -0.03 1.61 1.74 -0.84 -2.49 116.66 118.52 2q4r n ARG 134 Ca 0.00 0.16 -0.15 0.00 -0.77 0.00 0.00 57.85 57.10 2q4r n ARG 134 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 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 0.17 -1.28 0.55 4.64 -1.74 -3.47 113.55 112.41 2q4r h SER 135 Ca 0.00 -0.74 -0.53 0.00 -0.47 0.00 0.00 61.79 60.04 2q4r h SER 135 Cb 0.00 -0.05 0.12 0.00 -0.31 0.00 0.00 62.40 62.17 2q4r h SER 135 CO 0.00 0.89 -0.72 0.00 -0.87 0.00 0.00 176.83 176.13 2q4r s SER 137 N -0.84 5.63 0.40 0.00 1.04 -1.26 -4.74 113.70 113.93 2q4r s SER 137 Ca 0.51 1.39 0.22 0.00 0.48 0.00 0.00 55.95 58.55 2q4r s SER 137 Cb -0.59 -2.30 1.22 0.00 0.10 0.00 0.00 66.02 64.44 2q4r s SER 137 CO 0.52 -1.25 1.70 -0.61 0.98 0.00 0.00 173.24 174.57 2q4r h GLN 138 N -0.59 0.26 -0.88 4.02 -0.00 -1.98 0.37 115.11 116.31 2q4r h GLN 138 Ca -0.45 -0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.28 2q4r h GLN 138 Cb 1.22 -0.06 -0.07 0.00 0.00 0.00 0.00 27.48 28.57 2q4r h GLN 138 CO 0.61 0.17 0.52 0.93 0.00 0.00 0.00 178.83 181.06 2q4r h GLU 139 N 0.27 0.86 0.00 1.69 3.07 -2.00 0.26 114.58 118.72 2q4r h GLU 139 Ca 0.70 -0.05 -0.24 0.00 -0.50 0.00 0.00 59.36 59.27 2q4r h GLU 139 Cb 1.93 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 29.61 2q4r h GLU 139 CO -0.39 0.57 -1.30 0.93 -1.40 0.00 0.00 179.01 177.41 2q4r h GLU 140 N 0.88 0.00 -0.70 2.33 5.08 -0.71 -3.18 114.58 118.28 2q4r h GLU 140 Ca 0.42 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 2q4r h GLU 140 Cb 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2q4r h GLU 140 CO -0.24 0.73 0.21 -0.09 -1.00 0.00 0.00 179.01 178.63 2q4r h ARG 141 N 0.00 1.09 -0.36 2.33 2.43 -0.03 0.12 114.38 119.95 2q4r h ARG 141 Ca -0.13 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 2q4r h ARG 141 Cb 1.85 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.23 2q4r h ARG 141 CO 0.10 0.94 0.01 0.82 -1.51 0.00 0.00 179.97 180.34 2q4r h ILE 142 N 1.03 1.26 -0.69 1.20 1.08 -0.61 0.22 117.51 121.01 2q4r h ILE 142 Ca 0.23 -0.96 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 2q4r h ILE 142 Cb 0.31 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 2q4r h ILE 142 CO -0.01 0.32 0.44 -0.08 -0.69 0.00 0.00 178.15 178.14 2q4r h GLU 143 N 0.45 0.86 -0.29 2.37 4.81 -1.48 -0.78 114.58 120.53 2q4r h GLU 143 Ca 0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2q4r h GLU 143 Cb 0.44 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2q4r h GLU 143 CO 0.02 0.57 0.10 0.35 -0.73 0.00 0.00 179.01 179.32 2q4r h PHE 144 N 0.89 0.46 -0.79 0.92 3.57 -0.43 -2.31 116.94 119.25 2q4r h PHE 144 Ca 0.26 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.76 2q4r h PHE 144 Cb -0.05 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 2q4r h PHE 144 CO -0.03 0.46 0.50 -0.92 -2.23 0.00 0.00 178.31 176.09 2q4r h TYR 145 N 0.32 0.95 -0.56 0.41 3.20 0.07 0.15 116.97 121.50 2q4r h TYR 145 Ca 0.10 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 2q4r h TYR 145 Cb 0.21 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2q4r h TYR 145 CO -0.00 0.54 0.03 0.93 -1.64 0.00 0.00 178.16 178.02 2q4r h GLU 146 N 0.98 0.97 -0.81 1.82 5.08 -1.08 0.60 114.58 122.15 2q4r h GLU 146 Ca 0.31 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2q4r h GLU 146 Cb 0.01 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2q4r h GLU 146 CO -0.11 0.96 0.53 1.25 -1.00 0.00 0.00 179.01 180.64 2q4r h LEU 147 N 0.86 0.93 -0.26 1.33 5.85 -0.81 -2.22 115.31 120.99 2q4r h LEU 147 Ca 0.16 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.66 2q4r h LEU 147 Cb 0.50 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2q4r h LEU 147 CO 0.02 0.68 -0.59 -0.78 -0.34 0.00 0.00 178.44 177.43 2q4r h ASP 148 N 1.09 0.97 -0.28 1.25 3.58 -0.44 -1.10 116.42 121.50 2q4r h ASP 148 Ca 0.29 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2q4r h ASP 148 Cb -0.12 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.64 2q4r h ASP 148 CO -0.06 1.35 0.18 0.11 -2.88 0.00 0.00 179.24 177.94 2q4r h LYS 149 N 0.64 0.36 0.13 0.28 1.57 -0.49 1.84 116.57 120.89 2q4r h LYS 149 Ca 0.00 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 2q4r h LYS 149 Cb 1.20 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.46 2q4r h LYS 149 CO 0.13 0.24 -0.89 -0.22 -0.57 0.00 0.00 179.45 178.13 2q4r h LYS 150 N 0.37 0.38 -0.02 3.15 3.11 -1.21 -3.38 116.57 118.97 2q4r h LYS 150 Ca 0.10 -0.58 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2q4r h LYS 150 Cb -0.03 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2q4r h LYS 150 CO -0.02 1.25 -0.11 0.39 -2.81 0.00 0.00 179.45 178.15 2q4r n GLU 151 N -4.06 1.38 -4.07 1.90 -0.58 -0.43 -5.00 120.64 109.76 2q4r n GLU 151 Ca -0.14 -1.16 -0.36 0.00 -0.42 0.00 0.00 57.16 55.09 2q4r n GLU 151 Cb 0.84 -1.27 -0.02 0.00 -0.57 0.00 0.00 31.44 30.43 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 0.47 -1.96 -0.25 1.62 4.13 0.62 -4.84 115.26 115.06 2q4r n ASN 152 Ca 0.08 -1.20 -0.05 0.00 1.68 0.00 0.00 54.58 55.09 2q4r n ASN 152 Cb 0.35 -2.17 0.05 0.00 -1.54 0.00 0.00 39.78 36.48 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 -2.12 1.19 0.57 2.41 2.04 -1.87 -2.35 117.51 117.38 2q4r h ILE 153 Ca -0.67 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 2q4r h ILE 153 Cb 1.39 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2q4r h ILE 153 CO 0.59 0.20 -0.27 0.03 0.00 0.00 0.00 178.15 178.70 2q4r h ARG 154 N 0.94 -0.74 -0.51 2.37 3.08 -1.88 -1.20 114.38 116.44 2q4r h ARG 154 Ca 0.25 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.50 2q4r h ARG 154 Cb -0.05 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2q4r h ARG 154 CO -0.05 -0.44 0.48 0.37 -1.07 0.00 0.00 179.97 179.26 2q4r h GLN 155 N -1.12 0.00 0.00 0.04 4.15 -1.94 0.63 115.11 116.86 2q4r h GLN 155 Ca -0.08 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2q4r h GLN 155 Cb 0.63 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.32 2q4r h GLN 155 CO 0.13 0.00 -0.00 -0.22 -1.93 0.00 0.00 178.83 176.81 2q4r h LYS 156 N 0.00 -0.00 0.38 1.69 3.64 -1.26 -1.68 116.57 119.33 2q4r h LYS 156 Ca 0.24 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2q4r h LYS 156 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2q4r h LYS 156 CO -0.00 0.50 -0.20 0.35 -2.27 0.00 0.00 179.45 177.82 2q4r h PHE 157 N -0.50 -0.53 -0.18 1.91 3.04 0.13 -1.54 116.94 119.27 2q4r h PHE 157 Ca -0.00 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.99 2q4r h PHE 157 Cb 0.50 0.18 -0.07 0.00 2.56 0.00 0.00 35.95 39.13 2q4r h PHE 157 CO 0.10 -0.32 -0.29 0.28 -2.02 0.00 0.00 178.31 176.06 2q4r h VAL 158 N -0.54 0.33 -0.94 1.41 2.07 -0.48 0.17 116.25 118.26 2q4r h VAL 158 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2q4r h VAL 158 Cb 0.43 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 2q4r h VAL 158 CO 0.06 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.23 2q4r h ALA 159 N 0.58 1.36 -0.83 1.67 0.00 -1.25 -0.55 119.26 120.24 2q4r h ALA 159 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2q4r h ALA 159 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2q4r h ALA 159 CO -0.37 0.23 0.38 -0.44 0.00 0.00 0.00 179.25 179.06 2q4r h ASP 160 N 0.97 1.10 -0.35 0.00 3.32 0.01 -2.20 116.42 119.26 2q4r h ASP 160 Ca 0.44 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 2q4r h ASP 160 Cb 0.36 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2q4r h ASP 160 CO -0.23 0.93 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.14 2q4r h LEU 161 N 1.18 0.69 -0.86 1.55 3.38 0.55 -2.02 115.31 119.78 2q4r h LEU 161 Ca 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2q4r h LEU 161 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2q4r h LEU 161 CO -0.03 0.76 0.47 0.03 0.09 0.00 0.00 178.44 179.76 2q4r h ARG 162 N 0.68 1.20 -0.06 1.13 3.08 -0.55 0.18 114.38 120.03 2q4r h ARG 162 Ca 0.13 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2q4r h ARG 162 Cb 0.43 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2q4r h ARG 162 CO 0.02 0.88 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.51 2q4r h LYS 163 N 1.20 0.16 -0.93 0.04 3.64 -1.17 -1.68 116.57 117.83 2q4r h LYS 163 Ca 0.30 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2q4r h LYS 163 Cb 0.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2q4r h LYS 163 CO -0.05 0.62 0.61 1.49 -2.27 0.00 0.00 179.45 179.85 2q4r h GLU 164 N -0.29 1.18 -0.51 1.90 4.57 -1.18 -3.12 114.58 117.13 2q4r h GLU 164 Ca 0.01 -0.07 -0.31 0.00 -1.18 0.00 0.00 59.36 57.81 2q4r h GLU 164 Cb 0.59 -0.27 -0.19 0.00 -0.16 0.00 0.00 28.75 28.72 2q4r h GLU 164 CO 0.02 0.78 -0.08 1.19 -1.18 0.00 0.00 179.01 179.73 2q4r n PHE 165 N -4.42 1.67 -2.03 0.92 3.72 0.61 -5.03 117.46 112.91 2q4r n PHE 165 Ca 0.12 -1.89 -0.38 0.00 -0.05 0.00 0.00 57.45 55.25 2q4r n PHE 165 Cb 0.06 -0.59 0.01 0.00 -0.94 0.00 0.00 39.48 38.02 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 -3.38 3.03 0.00 4.37 0.00 -0.64 -2.14 121.76 123.01 2q4r s ALA 166 Ca 0.48 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2q4r s ALA 166 Cb 0.42 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2q4r s ALA 166 CO 0.01 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2q4r n GLY 167 N 0.61 2.82 0.16 0.00 0.00 -1.26 -4.83 105.19 102.69 2q4r n GLY 167 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2q4r n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q4r h LYS 168 N 1.72 0.00 -0.24 1.61 1.79 -1.83 -3.47 116.57 116.14 2q4r h LYS 168 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2q4r h LYS 168 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2q4r h LYS 168 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2q4r n GLY 169 N 0.93 0.53 3.11 3.86 0.00 -1.26 -4.98 105.19 107.38 2q4r n GLY 169 Ca 0.04 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2q4r n GLY 169 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2q4r s LEU 170 N -0.24 4.04 0.00 0.99 2.34 -1.26 -0.57 118.68 123.98 2q4r s LEU 170 Ca 0.00 -1.53 0.00 0.00 0.06 0.00 0.00 54.13 52.66 2q4r s LEU 170 Cb 0.00 -1.66 0.00 0.00 -0.56 0.00 0.00 46.19 43.97 2q4r s LEU 170 CO 0.00 -0.29 0.00 0.35 -1.06 0.00 0.00 176.35 175.35 2q4r n THR 171 N 4.50 0.00 -4.02 5.48 -2.24 -1.16 -4.88 114.28 111.96 2q4r n THR 171 Ca -0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 2q4r n THR 171 Cb 0.42 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.78 2q4r n THR 171 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2q4r s PHE 172 N -0.76 0.56 -0.30 4.78 0.08 -1.26 -4.11 117.98 116.97 2q4r s PHE 172 Ca 0.00 -0.91 -0.14 0.00 0.12 0.00 0.00 56.93 56.00 2q4r s PHE 172 Cb 0.00 0.13 0.18 0.00 -0.57 0.00 0.00 43.02 42.75 2q4r s PHE 172 CO 0.00 -1.05 1.06 0.45 -0.10 0.00 0.00 175.22 175.58 2q4r s SER 173 N -3.08 -0.46 -0.22 1.36 0.15 -0.68 -4.99 113.70 105.78 2q4r s SER 173 Ca 0.25 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 2q4r s SER 173 Cb -0.01 1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 65.71 2q4r s SER 173 CO 0.12 -0.09 0.25 -0.63 1.20 0.00 0.00 173.24 174.09 2q4r s ILE 174 N 2.63 5.30 0.24 6.45 1.01 -1.26 -0.30 121.20 135.28 2q4r s ILE 174 Ca -0.01 0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.91 2q4r s ILE 174 Cb -0.07 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2q4r s ILE 174 CO -0.14 0.32 0.46 -0.83 0.00 0.00 0.00 174.94 174.74 2q4r s GLY 175 N 0.99 0.59 0.00 6.18 0.00 -1.23 -5.01 107.32 108.85 2q4r s GLY 175 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2q4r s GLY 175 CO 0.05 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.09 2q4r n GLY 176 N -0.38 0.99 0.07 0.20 0.00 -1.26 -4.14 105.19 100.67 2q4r n GLY 176 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 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 0.69 0.00 1.61 6.02 -1.26 -4.81 117.38 119.63 2q4r n GLN 177 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2q4r n GLN 177 Cb 0.00 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.74 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 -2.58 0.00 -4.08 5.09 -0.00 -1.26 -4.44 119.36 112.09 2q4r n ILE 178 Ca -0.23 -0.26 -0.04 0.00 -0.00 0.00 0.00 62.75 62.23 2q4r n ILE 178 Cb 0.95 1.08 -0.01 0.00 -0.00 0.00 0.00 39.64 41.67 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 -0.43 1.05 -3.64 7.28 3.41 -1.26 -3.91 113.62 116.12 2q4r n SER 179 Ca 0.00 -1.33 -0.05 0.00 -0.26 0.00 0.00 58.87 57.23 2q4r n SER 179 Cb 0.02 0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.74 -0.89 0.16 7.33 -0.12 -0.30 -3.50 117.98 118.92 2q4r s PHE 180 Ca 0.03 1.77 -0.26 0.00 -0.05 0.00 0.00 56.93 58.42 2q4r s PHE 180 Cb 0.00 0.53 -0.08 0.00 -0.63 0.00 0.00 43.02 42.84 2q4r s PHE 180 CO 0.02 -0.44 0.82 -0.51 -0.05 0.00 0.00 175.22 175.06 2q4r s ASP 181 N 1.53 7.42 -0.05 1.98 1.01 0.59 -2.05 116.67 127.10 2q4r s ASP 181 Ca -0.10 1.69 0.06 0.00 0.71 0.00 0.00 52.55 54.91 2q4r s ASP 181 Cb -0.04 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2q4r s ASP 181 CO -0.18 0.15 -0.23 -0.69 0.21 0.00 0.00 175.17 174.44 2q4r s VAL 182 N -0.92 2.29 0.01 -1.27 1.01 0.16 -1.69 120.40 120.00 2q4r s VAL 182 Ca 0.38 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 2q4r s VAL 182 Cb -0.23 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.39 2q4r s VAL 182 CO 0.27 0.57 0.71 0.72 0.00 0.00 0.00 175.10 177.37 2q4r s PHE 183 N -0.37 -0.56 0.13 5.22 -0.12 -1.26 0.79 117.98 121.80 2q4r s PHE 183 Ca 0.03 0.73 -0.35 0.00 -0.05 0.00 0.00 56.93 57.29 2q4r s PHE 183 Cb -0.12 0.47 -0.16 0.00 -0.63 0.00 0.00 43.02 42.58 2q4r s PHE 183 CO 0.02 -0.65 1.26 -2.30 -0.05 0.00 0.00 175.22 173.50 2q4r n PRO 184 N 0.37 1.18 -1.52 1.99 -0.02 -1.26 -3.00 135.00 132.73 2q4r n PRO 184 Ca -0.16 0.42 -0.54 0.00 -2.02 0.00 0.00 63.50 61.20 2q4r n PRO 184 Cb 0.60 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 2q4r n PRO 184 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2q4r n ASP 185 N 2.30 0.51 -2.35 2.55 9.92 0.26 -2.10 116.55 127.64 2q4r n ASP 185 Ca 0.17 1.14 -0.13 0.00 -0.53 0.00 0.00 54.79 55.44 2q4r n ASP 185 Cb 0.22 -1.05 0.05 0.00 -0.64 0.00 0.00 41.12 39.69 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2q4r n GLY 186 N 1.91 0.05 0.78 0.44 0.00 -1.26 -4.97 105.19 102.13 2q4r n GLY 186 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.70 0.62 0.00 1.61 7.02 -0.89 -4.45 117.44 117.64 2q4r n TRP 187 Ca -0.04 -1.31 0.00 0.00 -1.02 0.00 0.00 57.50 55.13 2q4r n TRP 187 Cb 0.55 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 2q4r n TRP 187 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2q4r n ASP 188 N -1.06 0.00 0.26 -0.99 5.75 -1.26 -4.84 116.55 114.41 2q4r n ASP 188 Ca 0.24 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 55.17 2q4r n ASP 188 Cb 0.86 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.53 2q4r n ASP 188 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2q4r h LYS 189 N 0.00 0.00 -0.36 0.11 1.57 -1.94 -3.06 116.57 112.89 2q4r h LYS 189 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2q4r h LYS 189 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2q4r h LYS 189 CO 0.00 0.07 0.36 0.00 -0.57 0.00 0.00 179.45 179.31 2q4r h ARG 190 N 0.00 0.00 -0.95 3.15 3.08 -1.90 -2.22 114.38 115.54 2q4r h ARG 190 Ca -0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 2q4r h ARG 190 Cb 0.61 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.58 2q4r h ARG 190 CO 0.01 0.00 0.60 -0.92 -1.07 0.00 0.00 179.97 178.59 2q4r h TYR 191 N 0.00 0.82 0.00 3.04 3.20 -1.73 -1.16 116.97 121.14 2q4r h TYR 191 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2q4r h TYR 191 Cb 0.89 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2q4r h TYR 191 CO 0.00 0.23 0.00 0.00 -1.64 0.00 0.00 178.16 176.75 2q4r h LEU 193 N 0.00 0.00 -0.60 0.00 3.38 -1.41 -3.10 115.31 113.59 2q4r h LEU 193 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2q4r h LEU 193 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2q4r h LEU 193 CO 0.00 0.49 0.38 0.08 0.09 0.00 0.00 178.44 179.48 2q4r h ARG 194 N 0.00 0.74 0.00 1.13 0.11 -1.74 0.20 114.38 114.82 2q4r h ARG 194 Ca -0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2q4r h ARG 194 Cb 0.95 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2q4r h ARG 194 CO 0.06 0.49 0.00 0.72 0.10 0.00 0.00 179.97 181.35 2q4r n HIS 195 N -4.70 0.29 -0.02 4.08 8.25 -1.17 -3.70 115.22 118.24 2q4r n HIS 195 Ca 0.05 0.13 -0.03 0.00 -0.26 0.00 0.00 57.72 57.61 2q4r n HIS 195 Cb 0.05 -0.71 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 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 -1.78 0.31 0.00 1.59 0.24 -0.48 -4.75 118.33 113.46 2q4r n VAL 196 Ca 0.02 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2q4r n VAL 196 Cb 0.12 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 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 -2.42 0.00 -0.45 7.34 0.28 -0.06 -1.85 120.64 123.48 2q4r n GLU 197 Ca -0.09 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.98 2q4r n GLU 197 Cb 0.62 -1.06 0.11 0.00 1.43 0.00 0.00 31.44 32.54 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 -0.53 1.54 -0.66 -1.84 3.02 -1.26 -4.70 115.26 110.82 2q4r n ASN 198 Ca 0.00 -2.92 0.06 0.00 -0.03 0.00 0.00 54.58 51.69 2q4r n ASN 198 Cb 0.00 -0.39 0.15 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.84 2.91 0.00 6.41 8.00 -0.77 -5.01 116.55 127.25 2q4r n ASP 199 Ca 0.12 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.66 2q4r n ASP 199 Cb 0.72 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.58 0.59 3.71 0.44 0.00 -1.26 -5.05 105.19 104.20 2q4r n GLY 200 Ca 0.12 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 3.57 0.10 1.61 2.02 -1.26 -4.45 117.35 116.94 2q4r s TYR 201 Ca 0.00 1.29 0.06 0.00 -0.37 0.00 0.00 57.07 58.05 2q4r s TYR 201 Cb 0.00 -2.85 -0.22 0.00 -0.40 0.00 0.00 41.96 38.49 2q4r s TYR 201 CO 0.00 0.06 1.22 0.87 -1.57 0.00 0.00 175.55 176.13 2q4r h LYS 202 N 6.80 0.04 -4.33 -0.62 6.56 -0.76 -3.45 116.57 120.81 2q4r h LYS 202 Ca -0.40 -0.07 -0.40 0.00 -1.06 0.00 0.00 60.65 58.72 2q4r h LYS 202 Cb 1.20 0.02 -0.31 0.00 -0.57 0.00 0.00 32.23 32.57 2q4r h LYS 202 CO 0.76 1.00 -0.78 0.99 -2.06 0.00 0.00 179.45 179.36 2q4r s THR 203 N -2.70 0.63 -0.27 -0.16 2.01 -1.23 -5.02 115.64 108.89 2q4r s THR 203 Ca -0.00 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.77 2q4r s THR 203 Cb 0.09 -0.58 0.07 0.00 0.01 0.00 0.00 72.50 72.09 2q4r s THR 203 CO 0.83 0.21 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.32 2q4r s ILE 204 N 0.39 1.73 0.35 1.82 1.01 -1.26 -2.11 121.20 123.12 2q4r s ILE 204 Ca -0.05 -1.54 -0.17 0.00 0.00 0.00 0.00 60.65 58.88 2q4r s ILE 204 Cb -0.10 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.23 2q4r s ILE 204 CO 0.00 -0.25 0.80 -0.31 0.00 0.00 0.00 174.94 175.18 2q4r s TYR 205 N 1.27 3.38 -0.02 3.97 2.02 0.14 -4.20 117.35 123.90 2q4r s TYR 205 Ca -0.01 1.34 0.01 0.00 -0.37 0.00 0.00 57.07 58.03 2q4r s TYR 205 Cb -0.19 -2.63 0.02 0.00 -0.40 0.00 0.00 41.96 38.76 2q4r s TYR 205 CO -0.08 0.06 -0.02 0.12 -1.57 0.00 0.00 175.55 174.05 2q4r s PHE 206 N -2.00 0.39 -0.11 2.71 5.36 -1.25 -0.11 117.98 122.95 2q4r s PHE 206 Ca 0.56 -0.05 0.01 0.00 -0.96 0.00 0.00 56.93 56.48 2q4r s PHE 206 Cb -0.10 -0.39 0.02 0.00 -0.34 0.00 0.00 43.02 42.20 2q4r s PHE 206 CO 0.17 -0.10 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.64 2q4r s PHE 207 N 0.68 1.79 -0.05 10.12 0.08 0.10 -0.98 117.98 129.71 2q4r s PHE 207 Ca -0.07 -0.88 0.00 0.00 0.12 0.00 0.00 56.93 56.09 2q4r s PHE 207 Cb -0.10 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 2q4r s PHE 207 CO -0.01 -0.51 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 2q4r n GLY 208 N 4.51 -0.86 3.48 4.36 0.00 -1.22 0.45 105.19 115.91 2q4r n GLY 208 Ca -0.17 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 6.11 0.13 1.61 1.11 -1.26 -3.30 116.67 117.07 2q4r s ASP 209 Ca 0.00 -0.76 0.27 0.00 0.18 0.00 0.00 52.55 52.24 2q4r s ASP 209 Cb 0.00 -2.17 0.95 0.00 1.07 0.00 0.00 42.92 42.78 2q4r s ASP 209 CO 0.00 -0.42 1.82 2.29 1.18 0.00 0.00 175.17 180.04 2q4r n LYS 210 N 5.21 0.16 -4.34 8.23 -0.00 -1.26 -4.15 118.16 122.01 2q4r n LYS 210 Ca -0.11 0.13 -0.17 0.00 -0.00 0.00 0.00 58.31 58.16 2q4r n LYS 210 Cb 0.48 -1.69 -0.10 0.00 -0.00 0.00 0.00 35.03 33.72 2q4r n LYS 210 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2q4r s THR 211 N -3.06 1.02 0.00 0.58 2.01 -1.26 -0.85 115.64 114.07 2q4r s THR 211 Ca 0.12 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.09 2q4r s THR 211 Cb 0.15 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.25 2q4r s THR 211 CO 0.58 -0.27 0.00 -3.20 -0.69 0.00 0.00 174.62 171.04 2q4r n ASN 216 N -0.45 0.00 0.00 3.53 5.15 -1.26 -4.82 115.26 117.42 2q4r n ASN 216 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2q4r n ASN 216 Cb 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2q4r n ASP 217 N -0.24 0.00 -4.68 1.20 -0.08 -1.26 -5.14 116.55 106.35 2q4r n ASP 217 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2q4r n ASP 217 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 2q4r n ASP 217 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2q4r s HIS 218 N -0.10 3.38 0.27 -0.67 3.76 -0.03 -4.99 115.29 116.90 2q4r s HIS 218 Ca 0.00 0.54 0.02 0.00 -0.15 0.00 0.00 55.06 55.47 2q4r s HIS 218 Cb 0.00 -2.44 0.36 0.00 1.11 0.00 0.00 32.58 31.61 2q4r s HIS 218 CO 0.00 0.05 1.69 0.93 -0.85 0.00 0.00 174.74 176.56 2q4r h GLU 219 N 7.26 0.48 -0.42 1.40 3.07 -1.92 -2.78 114.58 121.67 2q4r h GLU 219 Ca -0.37 -0.20 0.03 0.00 -0.50 0.00 0.00 59.36 58.31 2q4r h GLU 219 Cb 1.16 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 2q4r h GLU 219 CO 0.71 0.74 0.28 0.97 -1.40 0.00 0.00 179.01 180.31 2q4r h ILE 220 N 0.41 1.05 -0.03 3.13 2.10 -1.94 0.36 117.51 122.59 2q4r h ILE 220 Ca 0.05 -0.16 -0.00 0.00 1.08 0.00 0.00 64.86 65.83 2q4r h ILE 220 Cb 0.74 0.53 -0.00 0.00 -1.09 0.00 0.00 36.82 37.01 2q4r h ILE 220 CO 0.06 0.09 0.02 0.15 -1.08 0.00 0.00 178.15 177.38 2q4r h PHE 221 N 0.47 0.04 0.00 2.19 3.57 -1.84 -3.05 116.94 118.32 2q4r h PHE 221 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2q4r h PHE 221 Cb 0.09 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2q4r h PHE 221 CO -0.00 0.07 -0.22 1.79 -2.23 0.00 0.00 178.31 177.71 2q4r h THR 222 N 0.00 0.40 -0.96 4.41 1.35 -1.29 -3.39 112.91 113.44 2q4r h THR 222 Ca 0.01 -1.48 -0.65 0.00 -0.55 0.00 0.00 66.41 63.74 2q4r h THR 222 Cb 0.04 2.13 0.10 0.00 -1.73 0.00 0.00 68.15 68.69 2q4r h THR 222 CO -0.00 0.22 -0.48 -0.67 -0.25 0.00 0.00 175.52 174.34 2q4r n ASP 223 N -3.18 -1.14 0.00 5.36 -0.08 0.11 -4.78 116.55 112.85 2q4r n ASP 223 Ca 0.03 1.08 0.05 0.00 -1.51 0.00 0.00 54.79 54.44 2q4r n ASP 223 Cb 0.59 -0.91 0.27 0.00 2.34 0.00 0.00 41.12 43.42 2q4r n ASP 223 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2q4r n PRO 224 N 0.98 0.34 -0.01 -0.67 -0.04 -1.26 -2.96 135.00 131.39 2q4r n PRO 224 Ca 0.17 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 2q4r n PRO 224 Cb 0.23 -1.42 0.08 0.00 -0.04 0.00 0.00 33.50 32.35 2q4r n PRO 224 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2q4r n ARG 225 N -0.92 1.56 0.00 0.54 3.00 -1.26 -5.16 116.66 114.41 2q4r n ARG 225 Ca 0.07 -1.60 0.00 0.00 -0.01 0.00 0.00 57.85 56.30 2q4r n ARG 225 Cb 0.03 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.14 2q4r n ARG 225 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2q4r n THR 226 N 1.03 0.00 -3.60 0.55 -2.24 -1.15 -4.31 114.28 104.56 2q4r n THR 226 Ca 0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 2q4r n THR 226 Cb 0.46 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.04 -0.08 3.38 0.00 -1.26 -4.97 107.32 104.34 2q4r s GLY 228 Ca 0.00 3.11 0.03 0.00 0.00 0.00 0.00 44.72 47.86 2q4r s GLY 228 CO 0.00 2.72 -0.18 -0.19 0.00 0.00 0.00 173.10 175.44 2q4r s TYR 229 N 1.57 2.04 -0.06 1.90 2.02 -0.16 -4.96 117.35 119.71 2q4r s TYR 229 Ca -0.08 -0.81 -0.21 0.00 -0.37 0.00 0.00 57.07 55.60 2q4r s TYR 229 Cb -0.04 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 2q4r s TYR 229 CO -0.15 -0.35 0.61 -1.12 -1.57 0.00 0.00 175.55 172.96 2q4r s SER 230 N 0.50 6.91 -0.02 2.29 0.01 -1.26 -3.41 113.70 118.72 2q4r s SER 230 Ca -0.17 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.19 2q4r s SER 230 Cb -0.17 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.71 2q4r s SER 230 CO 0.06 -0.01 0.00 0.68 0.41 0.00 0.00 173.24 174.39 2q4r s VAL 231 N 0.42 0.08 0.05 3.43 -7.23 -1.21 -4.98 120.40 110.96 2q4r s VAL 231 Ca 0.33 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.41 2q4r s VAL 231 Cb -0.17 -0.16 -0.22 0.00 0.56 0.00 0.00 36.38 36.39 2q4r s VAL 231 CO 0.16 0.09 1.18 0.71 -0.31 0.00 0.00 175.10 176.93 2q4r h THR 232 N 5.89 1.34 -4.28 5.32 1.35 -1.89 -3.44 112.91 117.21 2q4r h THR 232 Ca -0.38 -2.09 -0.26 0.00 -0.55 0.00 0.00 66.41 63.13 2q4r h THR 232 Cb 1.15 2.37 -0.11 0.00 -1.73 0.00 0.00 68.15 69.84 2q4r h THR 232 CO 0.49 0.63 -0.33 0.00 -0.25 0.00 0.00 175.52 176.06 2q4r s ALA 233 N -3.39 0.87 0.55 6.62 0.00 -1.25 -4.73 121.76 120.43 2q4r s ALA 233 Ca -0.12 -1.54 0.25 0.00 0.00 0.00 0.00 51.96 50.55 2q4r s ALA 233 Cb 0.06 1.25 1.47 0.00 0.00 0.00 0.00 23.12 25.90 2q4r s ALA 233 CO 0.87 -0.73 2.07 -1.35 0.00 0.00 0.00 175.76 176.61 2q4r h PRO 234 N 2.26 0.00 -0.01 0.00 0.11 -1.44 -1.62 132.00 131.30 2q4r h PRO 234 Ca -0.29 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.65 2q4r h PRO 234 Cb 1.24 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 -0.75 0.93 -0.21 0.00 0.00 178.00 178.37 2q4r h GLU 235 N 0.00 0.10 -0.44 1.05 3.07 -1.92 -2.81 114.58 113.63 2q4r h GLU 235 Ca 0.13 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 2q4r h GLU 235 Cb 0.60 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2q4r h GLU 235 CO -0.00 0.80 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.95 2q4r h ASP 236 N 0.06 0.79 -0.73 1.42 5.19 -1.68 -1.94 116.42 119.53 2q4r h ASP 236 Ca -0.02 -0.32 0.15 0.00 -0.62 0.00 0.00 57.03 56.23 2q4r h ASP 236 Cb 1.33 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.58 2q4r h ASP 236 CO 0.11 0.92 0.49 0.74 -3.12 0.00 0.00 179.24 178.38 2q4r h THR 237 N 0.64 0.77 0.13 0.35 2.02 -1.26 -2.40 112.91 113.17 2q4r h THR 237 Ca 0.12 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2q4r h THR 237 Cb 0.53 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2q4r h THR 237 CO 0.03 0.06 -0.06 0.03 0.37 0.00 0.00 175.52 175.94 2q4r h ARG 238 N 0.34 -0.17 0.36 6.66 3.08 -1.12 -2.39 114.38 121.13 2q4r h ARG 238 Ca 0.36 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 2q4r h ARG 238 Cb 0.91 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 2q4r h ARG 238 CO -0.10 0.28 -0.43 -0.09 -1.07 0.00 0.00 179.97 178.57 2q4r h ARG 239 N -0.88 -0.77 -0.86 0.04 2.43 -1.18 0.86 114.38 114.03 2q4r h ARG 239 Ca -0.02 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.39 2q4r h ARG 239 Cb 0.53 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 2q4r h ARG 239 CO 0.03 -0.51 0.57 0.82 -1.51 0.00 0.00 179.97 179.37 2q4r h ILE 240 N -0.80 0.72 0.00 1.20 2.04 -1.60 0.20 117.51 119.28 2q4r h ILE 240 Ca -0.04 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 2q4r h ILE 240 Cb 0.71 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2q4r h ILE 240 CO -0.09 0.08 -0.55 0.00 0.00 0.00 0.00 178.15 177.59 2q4r n GLU 242 N -3.87 0.95 -0.09 0.00 4.07 0.28 -3.57 120.64 118.41 2q4r n GLU 242 Ca -0.01 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.99 2q4r n GLU 242 Cb 0.56 -1.43 -0.03 0.00 -0.06 0.00 0.00 31.44 30.48 2q4r n GLU 242 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2q4r n LEU 243 N -0.93 1.91 0.21 4.31 7.94 -0.43 -4.38 117.00 125.63 2q4r n LEU 243 Ca 0.20 0.40 0.10 0.00 -1.11 0.00 0.00 56.01 55.59 2q4r n LEU 243 Cb 0.09 -0.77 0.51 0.00 0.53 0.00 0.00 43.42 43.78 2q4r n LEU 243 CO 0.15 -0.27 0.89 -0.07 -1.11 0.00 0.00 177.39 176.98 2q4r h LEU 244 N -1.00 0.00 -6.30 -1.96 4.07 -1.42 -2.98 115.31 105.71 2q4r h LEU 244 Ca -0.04 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.34 2q4r h LEU 244 Cb 0.93 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 42.28 2q4r h LEU 244 CO -0.02 0.00 -0.92 0.49 -1.08 0.00 0.00 178.44 176.90 2q4r n PHE 245 N -2.30 0.42 -0.40 1.13 3.72 -1.24 -5.13 117.46 113.66 2q4r n PHE 245 Ca -0.01 -3.64 0.00 0.00 -0.05 0.00 0.00 57.45 53.75 2q4r n PHE 245 Cb 0.29 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2q4r n PHE 245 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58