#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 -0.18 3.76 0.55 0.00 -1.26 -4.43 105.19 103.63 2q4r n GLY 5 Ca 0.00 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 4.15 0.10 1.61 0.02 -1.26 -4.82 135.00 134.80 2q4r s PRO 6 Ca 0.00 2.53 0.03 0.00 0.02 0.00 0.00 61.00 63.58 2q4r s PRO 6 Cb 0.00 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 2q4r s PRO 6 CO 0.00 -0.56 -0.08 0.00 -0.33 0.00 0.00 177.00 176.03 2q4r s ALA 7 N -0.36 1.06 0.04 -1.55 0.00 -1.26 -0.03 121.76 119.66 2q4r s ALA 7 Ca 0.59 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 51.35 2q4r s ALA 7 Cb -0.46 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2q4r s ALA 7 CO 0.52 -0.12 -0.16 -1.17 0.00 0.00 0.00 175.76 174.83 2q4r s LEU 8 N -2.72 2.18 -0.16 0.00 2.96 -0.78 -2.29 118.68 117.88 2q4r s LEU 8 Ca 0.08 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2q4r s LEU 8 Cb 0.01 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 46.02 2q4r s LEU 8 CO -0.02 0.05 -0.19 0.00 -1.32 0.00 0.00 176.35 174.88 2q4r s LEU 10 N 0.94 2.48 -0.01 0.00 1.43 0.27 -1.36 118.68 122.42 2q4r s LEU 10 Ca -0.04 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2q4r s LEU 10 Cb -0.15 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2q4r s LEU 10 CO -0.04 0.21 -0.22 -0.36 0.23 0.00 0.00 176.35 176.17 2q4r s PHE 11 N 0.06 1.99 0.23 0.29 0.08 -0.88 -0.81 117.98 118.94 2q4r s PHE 11 Ca -0.07 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.30 2q4r s PHE 11 Cb -0.15 -1.27 -0.09 0.00 -0.57 0.00 0.00 43.02 40.94 2q4r s PHE 11 CO 0.05 -0.02 1.24 0.34 -0.10 0.00 0.00 175.22 176.73 2q4r s ASP 12 N -0.58 6.99 0.00 1.36 3.68 -0.95 -3.15 116.67 124.02 2q4r s ASP 12 Ca 0.09 2.38 0.00 0.00 2.13 0.00 0.00 52.55 57.14 2q4r s ASP 12 Cb -0.09 -2.62 0.00 0.00 -1.45 0.00 0.00 42.92 38.77 2q4r s ASP 12 CO -0.01 -0.42 0.34 1.33 0.13 0.00 0.00 175.17 176.55 2q4r n VAL 13 N 2.05 0.00 -2.26 1.11 0.24 -1.05 -3.52 118.33 114.91 2q4r n VAL 13 Ca 0.03 0.81 -0.43 0.00 -2.04 0.00 0.00 64.34 62.72 2q4r n VAL 13 Cb 0.43 -1.75 -0.02 0.00 -1.47 0.00 0.00 33.84 31.04 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 -1.93 6.71 0.00 -1.34 2.15 -1.26 -2.53 116.67 118.47 2q4r s ASP 14 Ca 0.00 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.69 2q4r s ASP 14 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2q4r s ASP 14 CO 0.00 -0.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 2q4r n GLY 15 N 4.08 2.74 0.19 2.66 0.00 -1.10 -4.85 105.19 108.91 2q4r n GLY 15 Ca 0.16 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 2q4r n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2q4r h THR 16 N 0.00 1.33 0.00 2.61 2.02 -1.61 -3.40 112.91 113.86 2q4r h THR 16 Ca 0.00 -1.84 -0.02 0.00 0.77 0.00 0.00 66.41 65.32 2q4r h THR 16 Cb 0.00 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2q4r h THR 16 CO 0.00 0.57 -0.81 0.18 0.37 0.00 0.00 175.52 175.83 2q4r n LEU 17 N -4.13 1.87 -4.79 2.58 4.77 -1.05 -4.08 117.00 112.18 2q4r n LEU 17 Ca -0.07 0.48 -0.38 0.00 -0.03 0.00 0.00 56.01 56.01 2q4r n LEU 17 Cb 0.64 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2q4r n LEU 17 CO 0.49 -0.33 0.48 0.42 -1.33 0.00 0.00 177.39 177.12 2q4r s THR 18 N -2.56 4.40 0.84 -5.08 -4.23 -1.22 -4.57 115.64 103.22 2q4r s THR 18 Ca -0.22 1.62 -0.12 0.00 -1.18 0.00 0.00 61.69 61.79 2q4r s THR 18 Cb 0.03 -4.06 0.09 0.00 1.34 0.00 0.00 72.50 69.90 2q4r s THR 18 CO 0.33 0.42 1.10 0.00 -0.54 0.00 0.00 174.62 175.92 2q4r s ALA 19 N -1.28 1.97 -0.12 3.99 0.00 -1.26 -2.72 121.76 122.35 2q4r s ALA 19 Ca 0.39 -0.16 -0.39 0.00 0.00 0.00 0.00 51.96 51.79 2q4r s ALA 19 Cb -0.21 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 2q4r s ALA 19 CO 0.25 -1.98 1.48 -2.30 0.00 0.00 0.00 175.76 173.21 2q4r n PRO 20 N -3.61 0.88 -1.38 0.00 -0.02 -1.26 -1.51 135.00 128.09 2q4r n PRO 20 Ca 0.07 0.32 -0.03 0.00 -2.02 0.00 0.00 63.50 61.84 2q4r n PRO 20 Cb 0.56 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 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 3.58 -1.43 -4.36 -0.52 1.74 -1.26 -4.90 116.66 109.51 2q4r n ARG 21 Ca 0.23 0.18 -0.25 0.00 -0.77 0.00 0.00 57.85 57.24 2q4r n ARG 21 Cb 0.13 -4.33 -0.09 0.00 -1.02 0.00 0.00 32.46 27.14 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 -2.84 1.99 0.50 5.56 -0.21 -0.57 -5.13 119.66 118.96 2q4r s GLN 22 Ca 0.00 -1.50 -0.13 0.00 0.02 0.00 0.00 55.36 53.76 2q4r s GLN 22 Cb 0.00 -2.02 -0.06 0.00 1.00 0.00 0.00 33.01 31.93 2q4r s GLN 22 CO 0.00 0.37 0.92 0.21 -2.12 0.00 0.00 175.29 174.67 2q4r s LYS 23 N -3.34 3.79 0.53 2.91 2.20 -1.26 -4.10 119.74 120.48 2q4r s LYS 23 Ca 0.28 0.71 -0.22 0.00 -0.36 0.00 0.00 55.97 56.38 2q4r s LYS 23 Cb -0.07 -2.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.98 2q4r s LYS 23 CO 0.16 -0.26 1.38 -1.50 -0.36 0.00 0.00 175.35 174.78 2q4r s ILE 24 N -2.68 2.02 0.72 5.43 2.07 -1.10 -4.73 121.20 122.94 2q4r s ILE 24 Ca 0.55 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.72 2q4r s ILE 24 Cb -0.10 -3.01 0.05 0.00 0.13 0.00 0.00 42.46 39.53 2q4r s ILE 24 CO 0.37 0.00 1.07 0.42 -1.91 0.00 0.00 174.94 174.89 2q4r s THR 25 N -1.27 2.57 0.07 4.00 -4.23 -1.26 -4.81 115.64 110.70 2q4r s THR 25 Ca 0.70 -0.03 -0.32 0.00 -1.18 0.00 0.00 61.69 60.86 2q4r s THR 25 Cb -0.42 -3.14 -0.19 0.00 1.34 0.00 0.00 72.50 70.10 2q4r s THR 25 CO 0.50 -0.16 1.63 0.50 -0.54 0.00 0.00 174.62 176.55 2q4r h LYS 26 N -0.70 -0.83 0.00 3.99 1.63 -2.05 0.75 116.57 119.37 2q4r h LYS 26 Ca -0.45 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2q4r h LYS 26 Cb 1.30 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 2q4r h LYS 26 CO 0.63 -0.55 0.00 -0.85 -3.45 0.00 0.00 179.45 175.22 2q4r n GLU 27 N -5.46 0.00 0.00 1.90 0.28 -1.26 -1.07 120.64 115.03 2q4r n GLU 27 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2q4r n GLU 27 Cb 0.35 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 32.12 2q4r n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2q4r n ASP 29 N -0.25 0.00 0.04 -1.84 4.64 0.26 -1.66 116.55 117.74 2q4r n ASP 29 Ca 0.00 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.38 2q4r n ASP 29 Cb 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 39.99 2q4r n ASP 29 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 2q4r h ASP 30 N 0.00 0.00 0.05 1.67 3.32 -1.31 -3.32 116.42 116.83 2q4r h ASP 30 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2q4r h ASP 30 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2q4r h ASP 30 CO 0.00 0.77 -0.21 0.15 -1.72 0.00 0.00 179.24 178.23 2q4r h PHE 31 N 0.00 -0.61 -0.50 4.55 3.57 -1.53 -0.40 116.94 122.01 2q4r h PHE 31 Ca -0.14 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.47 2q4r h PHE 31 Cb 1.71 0.26 -0.10 0.00 2.79 0.00 0.00 35.95 40.60 2q4r h PHE 31 CO 0.00 -0.24 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.45 2q4r h LEU 32 N -0.30 -1.09 -0.72 0.59 3.38 -1.87 0.22 115.31 115.53 2q4r h LEU 32 Ca -0.00 0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.25 2q4r h LEU 32 Cb 0.30 0.53 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2q4r h LEU 32 CO -0.11 -0.31 0.39 1.56 0.09 0.00 0.00 178.44 180.06 2q4r h GLN 33 N -0.19 0.68 -0.41 1.13 1.08 -1.62 0.87 115.11 116.65 2q4r h GLN 33 Ca 0.21 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2q4r h GLN 33 Cb 0.54 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 2q4r h GLN 33 CO -0.61 0.45 0.27 -0.22 -0.95 0.00 0.00 178.83 177.77 2q4r h LYS 34 N 0.70 0.54 -0.72 1.46 3.64 0.37 -0.84 116.57 121.72 2q4r h LYS 34 Ca 0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2q4r h LYS 34 Cb 0.26 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2q4r h LYS 34 CO -0.22 0.36 0.46 1.25 -2.27 0.00 0.00 179.45 179.04 2q4r h LEU 35 N 0.55 0.83 -1.62 5.20 5.85 0.11 0.12 115.31 126.36 2q4r h LEU 35 Ca 0.15 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2q4r h LEU 35 Cb -0.06 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2q4r h LEU 35 CO -0.03 0.61 0.32 -0.09 -0.34 0.00 0.00 178.44 178.91 2q4r h ARG 36 N 0.98 0.47 0.00 1.25 2.43 0.20 0.34 114.38 120.04 2q4r h ARG 36 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2q4r h ARG 36 Cb -0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2q4r h ARG 36 CO -0.05 0.31 0.00 1.96 -1.51 0.00 0.00 179.97 180.67 2q4r h GLN 37 N 0.48 0.00 -0.33 0.20 1.08 0.17 -3.08 115.11 113.64 2q4r h GLN 37 Ca 0.20 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.15 2q4r h GLN 37 Cb 0.21 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 27.29 2q4r h GLN 37 CO -0.05 0.00 -0.94 0.36 -0.95 0.00 0.00 178.83 177.25 2q4r n LYS 38 N -2.48 1.69 0.00 1.46 2.85 0.11 -5.07 118.16 116.71 2q4r n LYS 38 Ca 0.00 -3.24 0.00 0.00 -1.05 0.00 0.00 58.31 54.02 2q4r n LYS 38 Cb 0.18 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2q4r n LYS 38 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 2q4r n ILE 39 N -0.42 0.00 -3.24 0.58 3.06 -0.52 -5.03 119.36 113.80 2q4r n ILE 39 Ca 0.17 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 60.10 2q4r n ILE 39 Cb 0.91 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 41.03 2q4r n ILE 39 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2q4r s LYS 40 N -2.17 3.94 0.09 9.51 -0.14 -0.97 -3.69 119.74 126.30 2q4r s LYS 40 Ca 0.00 0.53 0.02 0.00 -1.36 0.00 0.00 55.97 55.16 2q4r s LYS 40 Cb 0.00 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 2q4r s LYS 40 CO 0.00 0.22 -0.07 0.96 -0.76 0.00 0.00 175.35 175.70 2q4r s ILE 41 N -1.91 0.67 0.23 2.17 -4.36 -1.26 0.74 121.20 117.48 2q4r s ILE 41 Ca 0.51 -1.78 -0.20 0.00 -0.26 0.00 0.00 60.65 58.92 2q4r s ILE 41 Cb -0.11 -1.49 0.03 0.00 1.25 0.00 0.00 42.46 42.14 2q4r s ILE 41 CO 0.19 -0.79 0.63 -0.83 0.24 0.00 0.00 174.94 174.38 2q4r s GLY 42 N -2.78 -0.17 0.03 6.27 0.00 -0.47 -2.98 107.32 107.23 2q4r s GLY 42 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.68 2q4r s GLY 42 CO -0.04 -0.11 -0.09 -1.34 0.00 0.00 0.00 173.10 171.52 2q4r s VAL 43 N -3.88 0.64 0.03 1.40 -7.23 -1.11 -2.07 120.40 108.18 2q4r s VAL 43 Ca 0.09 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2q4r s VAL 43 Cb -0.03 -0.63 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 2q4r s VAL 43 CO 0.00 -0.16 -0.07 0.54 -0.31 0.00 0.00 175.10 175.10 2q4r s VAL 44 N -0.91 0.53 0.07 1.32 0.11 -1.19 -2.50 120.40 117.83 2q4r s VAL 44 Ca -0.04 -0.83 -0.26 0.00 -2.93 0.00 0.00 61.98 57.92 2q4r s VAL 44 Cb -0.07 -0.55 0.09 0.00 -1.53 0.00 0.00 36.38 34.31 2q4r s VAL 44 CO 0.00 -0.22 0.74 -0.83 -3.33 0.00 0.00 175.10 171.46 2q4r s GLY 45 N -1.15 -0.54 0.32 6.54 0.00 -1.17 -2.51 107.32 108.80 2q4r s GLY 45 Ca -0.06 0.78 0.24 0.00 0.00 0.00 0.00 44.72 45.68 2q4r s GLY 45 CO 0.00 0.28 1.64 -1.33 0.00 0.00 0.00 173.10 173.69 2q4r h GLY 46 N 2.04 0.00 -0.84 0.20 0.00 -1.93 0.16 103.07 102.71 2q4r h GLY 46 Ca -0.28 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.59 2q4r h GLY 46 CO 0.35 0.00 0.34 -0.56 0.00 0.00 0.00 176.54 176.66 2q4r s SER 47 N -5.36 4.49 0.77 0.19 0.01 -1.26 -3.87 113.70 108.67 2q4r s SER 47 Ca 0.08 0.59 -0.09 0.00 1.31 0.00 0.00 55.95 57.85 2q4r s SER 47 Cb 0.09 -1.10 0.10 0.00 0.21 0.00 0.00 66.02 65.32 2q4r s SER 47 CO 0.65 -1.87 1.09 1.51 0.41 0.00 0.00 173.24 175.03 2q4r s ASP 48 N -4.59 4.42 0.37 2.44 1.47 -1.26 -0.62 116.67 118.90 2q4r s ASP 48 Ca 0.62 0.39 0.14 0.00 1.18 0.00 0.00 52.55 54.88 2q4r s ASP 48 Cb -0.10 -0.88 0.97 0.00 -0.34 0.00 0.00 42.92 42.56 2q4r s ASP 48 CO 0.48 -1.88 1.80 0.15 0.68 0.00 0.00 175.17 176.40 2q4r h PHE 49 N -0.85 0.77 -0.45 2.11 3.57 -1.98 -2.70 116.94 117.41 2q4r h PHE 49 Ca -0.44 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.15 2q4r h PHE 49 Cb 1.30 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 2q4r h PHE 49 CO 0.01 0.15 0.12 0.93 -2.23 0.00 0.00 178.31 177.29 2q4r h GLU 50 N 0.53 0.25 0.22 1.11 3.07 -2.00 -2.43 114.58 115.34 2q4r h GLU 50 Ca 0.55 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 2q4r h GLU 50 Cb 1.18 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2q4r h GLU 50 CO -0.29 0.17 -0.11 -0.22 -1.40 0.00 0.00 179.01 177.16 2q4r h LYS 51 N 0.26 -0.29 -0.89 2.33 1.63 -1.86 -2.17 116.57 115.58 2q4r h LYS 51 Ca 0.22 0.02 0.24 0.00 -0.85 0.00 0.00 60.65 60.28 2q4r h LYS 51 Cb 0.26 0.07 -0.14 0.00 -0.60 0.00 0.00 32.23 31.81 2q4r h LYS 51 CO -0.26 -0.01 0.27 0.28 -3.45 0.00 0.00 179.45 176.27 2q4r h VAL 52 N -0.56 0.30 0.08 2.00 2.07 -1.54 0.37 116.25 118.97 2q4r h VAL 52 Ca -0.03 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2q4r h VAL 52 Cb 0.41 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2q4r h VAL 52 CO 0.05 0.04 -0.04 1.56 0.02 0.00 0.00 177.57 179.20 2q4r h GLN 53 N 0.21 -0.10 -0.70 1.57 4.20 -1.28 1.39 115.11 120.41 2q4r h GLN 53 Ca 0.57 0.01 0.18 0.00 0.06 0.00 0.00 58.65 59.47 2q4r h GLN 53 Cb 1.17 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 2q4r h GLN 53 CO -0.66 0.02 0.49 0.93 -0.67 0.00 0.00 178.83 178.94 2q4r h GLU 54 N -0.20 0.12 0.01 1.46 4.39 0.30 0.63 114.58 121.29 2q4r h GLU 54 Ca -0.01 -0.01 -0.36 0.00 0.34 0.00 0.00 59.36 59.32 2q4r h GLU 54 Cb 0.17 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 2q4r h GLU 54 CO 0.02 0.08 -2.30 0.00 -1.16 0.00 0.00 179.01 175.65 2q4r n GLN 55 N -4.38 0.68 -0.10 2.33 10.64 -0.11 -4.74 117.38 121.70 2q4r n GLN 55 Ca 0.14 0.09 -0.13 0.00 -1.83 0.00 0.00 57.00 55.26 2q4r n GLN 55 Cb 0.69 -1.57 -0.10 0.00 -0.86 0.00 0.00 30.24 28.40 2q4r n GLN 55 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2q4r n LEU 56 N -2.97 2.47 0.00 2.61 4.77 0.47 -2.71 117.00 121.65 2q4r n LEU 56 Ca -0.34 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2q4r n LEU 56 Cb 1.10 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2q4r n LEU 56 CO 0.39 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 2q4r n GLY 57 N 2.43 3.57 0.49 -0.72 0.00 0.22 -4.87 105.19 106.31 2q4r n GLY 57 Ca -0.35 -0.42 0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.82 1.61 2.35 -1.91 1.34 115.58 118.16 2q4r h ASN 58 Ca 0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.32 2q4r h ASN 58 Cb 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 38.12 2q4r h ASN 58 CO 0.00 0.00 0.44 -0.90 -1.65 0.00 0.00 177.43 175.32 2q4r n ASP 59 N -3.16 3.61 -0.31 5.81 5.75 -1.26 -4.76 116.55 122.23 2q4r n ASP 59 Ca 0.18 -3.68 0.14 0.00 -0.01 0.00 0.00 54.79 51.42 2q4r n ASP 59 Cb 1.37 -0.79 0.32 0.00 -1.03 0.00 0.00 41.12 40.99 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 1.01 0.46 -0.36 2.12 3.04 0.15 0.22 116.25 122.89 2q4r h VAL 60 Ca 0.52 -0.14 0.07 0.00 -1.01 0.00 0.00 66.70 66.14 2q4r h VAL 60 Cb 2.41 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.71 2q4r h VAL 60 CO 0.93 0.07 0.25 -0.37 -1.01 0.00 0.00 177.57 177.44 2q4r h VAL 61 N 0.40 0.92 0.00 1.51 -1.51 -1.84 0.33 116.25 116.06 2q4r h VAL 61 Ca 0.57 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.97 2q4r h VAL 61 Cb 1.10 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2q4r h VAL 61 CO -0.54 0.04 -0.02 -0.33 -1.23 0.00 0.00 177.57 175.49 2q4r h GLU 62 N 0.20 0.00 0.03 5.19 5.08 -1.32 -3.20 114.58 120.56 2q4r h GLU 62 Ca 0.16 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.25 2q4r h GLU 62 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2q4r h GLU 62 CO -0.03 0.00 -1.45 0.87 -1.00 0.00 0.00 179.01 177.41 2q4r h LYS 63 N 0.00 0.06 -5.50 2.33 1.79 -0.17 -3.48 116.57 111.60 2q4r h LYS 63 Ca 0.00 -0.10 -0.50 0.00 -2.18 0.00 0.00 60.65 57.87 2q4r h LYS 63 Cb 1.00 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.55 2q4r h LYS 63 CO 0.00 0.81 -0.66 0.71 -1.08 0.00 0.00 179.45 179.23 2q4r s TYR 64 N -2.64 2.01 -0.07 -1.35 2.02 0.30 -4.88 117.35 112.73 2q4r s TYR 64 Ca -0.04 -0.73 0.14 0.00 -0.37 0.00 0.00 57.07 56.07 2q4r s TYR 64 Cb 0.08 -1.19 -0.20 0.00 -0.40 0.00 0.00 41.96 40.26 2q4r s TYR 64 CO 0.83 0.26 0.73 -0.25 -1.57 0.00 0.00 175.55 175.55 2q4r n ASP 65 N -0.63 0.88 -4.07 2.29 8.00 -1.16 -4.41 116.55 117.45 2q4r n ASP 65 Ca -0.05 0.41 -0.18 0.00 0.71 0.00 0.00 54.79 55.68 2q4r n ASP 65 Cb 0.64 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.60 2q4r n ASP 65 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2q4r s TYR 66 N -2.71 0.95 -0.07 1.24 2.02 -1.24 -0.25 117.35 117.29 2q4r s TYR 66 Ca -0.04 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.37 2q4r s TYR 66 Cb 0.08 -0.58 0.04 0.00 -0.40 0.00 0.00 41.96 41.10 2q4r s TYR 66 CO 0.82 -0.01 0.10 0.08 -1.57 0.00 0.00 175.55 174.98 2q4r s VAL 67 N -0.58 -0.17 -0.59 0.71 1.01 0.92 -2.76 120.40 118.92 2q4r s VAL 67 Ca 0.01 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.41 2q4r s VAL 67 Cb -0.06 -0.23 0.19 0.00 0.00 0.00 0.00 36.38 36.27 2q4r s VAL 67 CO 0.00 0.14 0.49 0.49 0.00 0.00 0.00 175.10 176.22 2q4r n PHE 68 N 5.31 1.87 -1.77 5.22 3.72 -1.04 -0.25 117.46 130.52 2q4r n PHE 68 Ca -0.04 -3.96 -0.34 0.00 -0.05 0.00 0.00 57.45 53.07 2q4r n PHE 68 Cb 0.50 -0.35 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 2q4r n PHE 68 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2q4r s PRO 69 N -1.15 2.76 -1.28 -1.08 0.02 -1.12 -2.04 135.00 131.11 2q4r s PRO 69 Ca 0.30 1.49 -0.00 0.00 0.02 0.00 0.00 61.00 62.81 2q4r s PRO 69 Cb 0.02 -1.94 -0.00 0.00 0.02 0.00 0.00 34.50 32.60 2q4r s PRO 69 CO -0.15 -1.30 0.75 0.39 -0.33 0.00 0.00 177.00 176.36 2q4r n GLU 70 N -2.31 -5.17 -0.91 5.54 1.02 0.21 -0.65 120.64 118.37 2q4r n GLU 70 Ca 0.11 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2q4r n GLU 70 Cb 0.51 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 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 -3.07 -4.04 0.00 1.62 3.02 0.44 -1.97 115.26 111.26 2q4r n ASN 71 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2q4r n ASN 71 Cb 0.68 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 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 -0.46 1.05 0.16 7.41 0.00 0.17 -3.23 105.19 110.29 2q4r n GLY 72 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -8.65 0.99 3.38 -0.88 -3.40 115.31 106.74 2q4r h LEU 73 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2q4r h LEU 73 Cb 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 2q4r h LEU 73 CO 0.00 0.00 -0.86 -0.69 0.09 0.00 0.00 178.44 176.98 2q4r s VAL 74 N -3.33 1.89 0.20 1.22 1.01 -1.08 0.25 120.40 120.57 2q4r s VAL 74 Ca 0.05 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 2q4r s VAL 74 Cb 0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2q4r s VAL 74 CO 0.49 0.24 0.23 0.00 0.00 0.00 0.00 175.10 176.06 2q4r s ALA 75 N -0.84 0.61 -0.28 5.51 0.00 0.56 -2.77 121.76 124.54 2q4r s ALA 75 Ca 0.09 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 2q4r s ALA 75 Cb -0.09 1.16 0.10 0.00 0.00 0.00 0.00 23.12 24.29 2q4r s ALA 75 CO 0.02 -0.65 0.77 0.71 0.00 0.00 0.00 175.76 176.62 2q4r s TYR 76 N -4.08 -0.93 -0.02 0.00 2.02 0.65 -2.80 117.35 112.19 2q4r s TYR 76 Ca 0.30 1.85 0.05 0.00 -0.37 0.00 0.00 57.07 58.90 2q4r s TYR 76 Cb 0.05 0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 42.15 2q4r s TYR 76 CO 0.08 -0.46 -0.17 0.21 -1.57 0.00 0.00 175.55 173.65 2q4r s LYS 77 N 1.56 1.40 -1.30 -0.62 2.20 0.30 -0.06 119.74 123.22 2q4r s LYS 77 Ca -0.10 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 2q4r s LYS 77 Cb -0.05 -1.33 0.04 0.00 -1.51 0.00 0.00 37.83 34.98 2q4r s LYS 77 CO -0.19 0.34 0.09 -0.25 -0.36 0.00 0.00 175.35 174.98 2q4r n ASP 78 N 2.75 0.34 0.00 1.43 10.43 0.66 0.86 116.55 133.03 2q4r n ASP 78 Ca -0.15 -1.02 0.00 0.00 2.57 0.00 0.00 54.79 56.18 2q4r n ASP 78 Cb 0.54 -1.28 0.00 0.00 1.84 0.00 0.00 41.12 42.22 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 -2.02 2.74 3.83 0.44 0.00 -1.21 -4.98 105.19 103.99 2q4r n GLY 79 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.04 3.78 -0.34 1.61 2.20 0.25 -4.94 119.74 122.26 2q4r s LYS 80 Ca 0.00 0.07 -0.39 0.00 -0.36 0.00 0.00 55.97 55.29 2q4r s LYS 80 Cb 0.00 -3.26 -0.14 0.00 -1.51 0.00 0.00 37.83 32.92 2q4r s LYS 80 CO 0.00 0.63 1.98 -0.11 -0.36 0.00 0.00 175.35 177.49 2q4r n LEU 81 N 2.31 2.09 0.18 5.43 0.00 -1.26 0.11 117.00 125.85 2q4r n LEU 81 Ca -0.16 0.75 0.12 0.00 0.00 0.00 0.00 56.01 56.72 2q4r n LEU 81 Cb 0.53 -1.16 0.17 0.00 0.00 0.00 0.00 43.42 42.96 2q4r n LEU 81 CO 0.35 -0.59 0.67 0.25 0.00 0.00 0.00 177.39 178.07 2q4r h LEU 82 N 9.58 0.00 0.00 -1.96 5.85 -1.76 -3.43 115.31 123.59 2q4r h LEU 82 Ca -0.34 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2q4r h LEU 82 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2q4r h LEU 82 CO 1.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 2q4r s ARG 84 N -2.00 0.41 -0.24 0.00 3.52 -1.26 0.21 118.95 119.59 2q4r s ARG 84 Ca 0.00 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 2q4r s ARG 84 Cb 0.00 0.16 0.17 0.00 -1.56 0.00 0.00 34.95 33.71 2q4r s ARG 84 CO 0.00 -0.08 1.23 -1.14 -0.81 0.00 0.00 175.30 174.49 2q4r s GLN 85 N -1.70 0.25 0.40 5.12 2.00 0.71 -4.94 119.66 121.50 2q4r s GLN 85 Ca -0.13 0.05 0.03 0.00 -2.00 0.00 0.00 55.36 53.30 2q4r s GLN 85 Cb -0.07 0.12 -0.01 0.00 0.80 0.00 0.00 33.01 33.85 2q4r s GLN 85 CO -0.01 -0.08 0.10 0.27 -0.50 0.00 0.00 175.29 175.06 2q4r n ASN 86 N 0.55 1.78 0.01 6.67 0.23 -1.26 -4.40 115.26 118.84 2q4r n ASN 86 Ca -0.03 -3.00 -0.17 0.00 -0.53 0.00 0.00 54.58 50.84 2q4r n ASN 86 Cb 0.59 0.78 -0.07 0.00 -2.08 0.00 0.00 39.78 38.99 2q4r n ASN 86 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2q4r h ILE 87 N 1.51 1.30 0.00 1.53 2.10 -1.31 -3.18 117.51 119.46 2q4r h ILE 87 Ca -0.32 -2.12 -0.08 0.00 1.08 0.00 0.00 64.86 63.42 2q4r h ILE 87 Cb 1.13 2.16 -0.01 0.00 -1.09 0.00 0.00 36.82 39.01 2q4r h ILE 87 CO 0.51 0.66 -0.37 0.06 -1.08 0.00 0.00 178.15 177.93 2q4r h GLN 88 N 0.44 0.00 -0.09 2.19 -0.00 -1.87 -0.28 115.11 115.51 2q4r h GLN 88 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.47 2q4r h GLN 88 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.99 2q4r h GLN 88 CO 0.17 0.37 -0.36 0.77 -0.00 0.00 0.00 178.83 179.78 2q4r h SER 89 N 0.00 0.47 -0.25 0.06 0.02 -1.87 0.52 113.55 112.50 2q4r h SER 89 Ca -0.00 -0.63 -0.04 0.00 -0.84 0.00 0.00 61.79 60.28 2q4r h SER 89 Cb 0.68 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2q4r h SER 89 CO 0.05 1.02 0.02 -0.74 -1.14 0.00 0.00 176.83 176.03 2q4r h HIS 90 N -0.05 0.46 -0.00 3.45 -0.00 -1.50 -3.17 115.15 114.33 2q4r h HIS 90 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2q4r h HIS 90 Cb 0.99 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 2q4r h HIS 90 CO 0.12 0.58 -0.39 1.28 -0.00 0.00 0.00 177.93 179.51 2q4r n LEU 91 N -4.65 0.49 0.00 0.26 4.77 -0.13 -5.06 117.00 112.68 2q4r n LEU 91 Ca -0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2q4r n LEU 91 Cb 0.23 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2q4r n LEU 91 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2q4r n GLY 92 N 1.47 -2.38 0.00 -0.72 0.00 0.18 -4.31 105.19 99.43 2q4r n GLY 92 Ca 0.07 -1.33 0.11 0.00 0.00 0.00 0.00 46.02 44.87 2q4r n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2q4r n GLU 93 N -1.18 0.31 -0.02 1.61 -0.58 -1.19 -2.91 120.64 116.68 2q4r n GLU 93 Ca 0.00 0.07 -0.20 0.00 -0.42 0.00 0.00 57.16 56.60 2q4r n GLU 93 Cb 0.00 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.24 2q4r n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q4r h ALA 94 N 3.08 0.15 -0.23 0.62 0.00 -1.91 -3.25 119.26 117.73 2q4r h ALA 94 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 2q4r h ALA 94 Cb 0.23 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2q4r h ALA 94 CO 0.00 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.19 2q4r h LEU 95 N -0.55 0.36 -0.74 0.00 5.85 -1.75 -1.84 115.31 116.65 2q4r h LEU 95 Ca -0.26 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.32 2q4r h LEU 95 Cb 1.55 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.36 2q4r h LEU 95 CO 0.00 0.53 -0.39 0.40 -0.34 0.00 0.00 178.44 178.64 2q4r h ILE 96 N 0.19 0.09 -0.10 4.05 1.08 -1.68 0.25 117.51 121.38 2q4r h ILE 96 Ca 0.07 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.43 2q4r h ILE 96 Cb 0.32 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2q4r h ILE 96 CO 0.00 0.00 -0.42 1.56 -0.69 0.00 0.00 178.15 178.60 2q4r h GLN 97 N -0.12 0.23 -0.72 2.37 4.20 -1.56 0.12 115.11 119.62 2q4r h GLN 97 Ca 0.25 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 2q4r h GLN 97 Cb 0.56 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2q4r h GLN 97 CO -0.79 0.62 0.19 -0.44 -0.67 0.00 0.00 178.83 177.73 2q4r h ASP 98 N 0.19 1.09 -0.29 1.46 3.45 -0.01 0.34 116.42 122.64 2q4r h ASP 98 Ca 0.02 -0.23 -0.12 0.00 0.43 0.00 0.00 57.03 57.13 2q4r h ASP 98 Cb 0.83 -0.29 -0.00 0.00 -0.56 0.00 0.00 39.33 39.31 2q4r h ASP 98 CO 0.06 1.03 -0.28 -0.07 -1.57 0.00 0.00 179.24 178.41 2q4r h LEU 99 N 1.09 0.75 0.05 1.55 3.38 -0.35 -2.26 115.31 119.52 2q4r h LEU 99 Ca 0.23 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2q4r h LEU 99 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2q4r h LEU 99 CO 0.00 1.07 -0.02 0.40 0.09 0.00 0.00 178.44 179.97 2q4r h ILE 100 N 0.44 1.07 -0.63 1.22 2.04 -0.71 -2.21 117.51 118.74 2q4r h ILE 100 Ca 0.05 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.55 2q4r h ILE 100 Cb 0.85 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2q4r h ILE 100 CO 0.07 0.10 0.37 0.78 0.00 0.00 0.00 178.15 179.47 2q4r h ASN 101 N -0.24 0.57 0.24 1.72 2.35 -0.36 -0.89 115.58 118.97 2q4r h ASN 101 Ca -0.01 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2q4r h ASN 101 Cb 0.21 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2q4r h ASN 101 CO 0.01 0.39 -0.13 0.22 -1.65 0.00 0.00 177.43 176.27 2q4r h TYR 102 N 0.70 -0.34 -0.78 1.19 3.20 -1.33 -1.87 116.97 117.74 2q4r h TYR 102 Ca 0.27 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.19 2q4r h TYR 102 Cb 0.10 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 2q4r h TYR 102 CO -0.07 -0.21 0.47 0.00 -1.64 0.00 0.00 178.16 176.71 2q4r h LEU 104 N 0.85 -0.35 -0.31 0.00 3.38 -0.90 -1.53 115.31 116.46 2q4r h LEU 104 Ca 0.34 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2q4r h LEU 104 Cb 0.17 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2q4r h LEU 104 CO -0.17 -0.15 0.16 0.28 0.09 0.00 0.00 178.44 178.64 2q4r h SER 105 N -0.15 0.40 -0.14 -0.43 0.02 -0.94 -2.70 113.55 109.61 2q4r h SER 105 Ca 0.07 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2q4r h SER 105 Cb 0.25 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 2q4r h SER 105 CO -0.18 0.39 -0.27 0.22 -1.14 0.00 0.00 176.83 175.85 2q4r h TYR 106 N 0.37 -0.73 -0.87 3.45 3.20 -0.76 -2.26 116.97 119.37 2q4r h TYR 106 Ca 0.11 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.12 2q4r h TYR 106 Cb 0.09 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 2q4r h TYR 106 CO -0.02 -0.35 0.51 0.82 -1.64 0.00 0.00 178.16 177.47 2q4r h ILE 107 N -0.34 0.90 -0.27 1.81 2.04 -1.19 -1.38 117.51 119.08 2q4r h ILE 107 Ca 0.10 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2q4r h ILE 107 Cb 0.49 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2q4r h ILE 107 CO -0.33 0.15 0.21 0.00 0.00 0.00 0.00 178.15 178.18 2q4r h ALA 108 N 1.48 2.15 -0.01 1.87 0.00 -1.07 -1.14 119.26 122.54 2q4r h ALA 108 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2q4r h ALA 108 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2q4r h ALA 108 CO -0.26 -0.35 -0.30 1.63 0.00 0.00 0.00 179.25 179.97 2q4r n LYS 109 N -4.27 0.96 -2.85 0.00 5.02 -0.53 -4.84 118.16 111.65 2q4r n LYS 109 Ca 0.04 -0.64 -0.43 0.00 -2.02 0.00 0.00 58.31 55.26 2q4r n LYS 109 Cb 0.37 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 2q4r n LYS 109 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2q4r s ILE 110 N -2.47 4.51 -0.20 -0.18 1.01 -0.43 -5.00 121.20 118.42 2q4r s ILE 110 Ca 0.24 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 2q4r s ILE 110 Cb 0.19 -4.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 2q4r s ILE 110 CO 0.52 -0.82 1.31 -0.54 0.00 0.00 0.00 174.94 175.41 2q4r s LYS 111 N 3.66 4.12 0.24 2.79 -0.14 -1.26 -5.01 119.74 124.14 2q4r s LYS 111 Ca 0.35 1.57 0.04 0.00 -1.36 0.00 0.00 55.97 56.57 2q4r s LYS 111 Cb -0.11 -3.82 -0.05 0.00 -1.68 0.00 0.00 37.83 32.17 2q4r s LYS 111 CO 0.25 -0.86 -0.01 -0.51 -0.76 0.00 0.00 175.35 173.46 2q4r s LEU 112 N 3.86 2.23 0.42 3.17 1.43 -1.26 -5.03 118.68 123.50 2q4r s LEU 112 Ca 0.57 -1.22 0.23 0.00 -1.03 0.00 0.00 54.13 52.67 2q4r s LEU 112 Cb -0.21 -0.32 0.38 0.00 0.03 0.00 0.00 46.19 46.07 2q4r s LEU 112 CO 0.18 -0.49 1.61 1.55 0.23 0.00 0.00 176.35 179.43 2q4r h PRO 113 N 2.44 0.00 -2.76 1.29 0.13 -1.98 -3.45 132.00 127.67 2q4r h PRO 113 Ca -0.39 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 2q4r h PRO 113 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 2q4r h PRO 113 CO 0.65 0.07 -0.28 0.15 -0.23 0.00 0.00 178.00 178.36 2q4r s LYS 114 N -3.21 0.42 -0.01 0.86 1.02 -1.26 -5.15 119.74 112.41 2q4r s LYS 114 Ca 0.06 0.62 0.01 0.00 0.02 0.00 0.00 55.97 56.68 2q4r s LYS 114 Cb 0.06 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2q4r s LYS 114 CO 0.67 -0.09 -0.04 0.15 -0.92 0.00 0.00 175.35 175.12 2q4r s LYS 115 N 0.63 0.41 0.00 1.68 1.02 -1.26 -4.69 119.74 117.52 2q4r s LYS 115 Ca -0.03 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.82 2q4r s LYS 115 Cb -0.05 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2q4r s LYS 115 CO -0.04 0.06 0.00 0.54 -0.92 0.00 0.00 175.35 174.99 2q4r n ARG 116 N 3.19 0.00 -4.04 1.68 5.12 -0.12 -5.05 116.66 117.44 2q4r n ARG 116 Ca -0.16 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.66 2q4r n ARG 116 Cb 0.57 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.81 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 -0.87 -0.13 0.00 -1.26 -4.95 107.32 100.90 2q4r s GLY 117 Ca 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 2q4r s GLY 117 CO 0.00 -0.80 0.76 2.41 0.00 0.00 0.00 173.10 175.47 2q4r n THR 118 N -0.38 -7.44 0.40 0.90 -1.04 -1.26 -1.92 114.28 103.54 2q4r n THR 118 Ca -0.01 -1.04 0.13 0.00 -2.04 0.00 0.00 64.05 61.09 2q4r n THR 118 Cb 0.63 -5.76 0.33 0.00 -1.82 0.00 0.00 70.33 63.71 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 -0.95 0.00 -3.06 -1.42 0.04 -1.92 -2.12 116.94 107.51 2q4r h PHE 119 Ca -0.50 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 59.93 2q4r h PHE 119 Cb 1.26 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 39.03 2q4r h PHE 119 CO 0.26 0.00 -0.68 0.42 -0.60 0.00 0.00 178.31 177.71 2q4r s ILE 120 N -3.22 -0.20 -0.41 -0.55 1.01 -1.26 -1.59 121.20 114.97 2q4r s ILE 120 Ca 0.08 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.90 2q4r s ILE 120 Cb 0.09 -0.36 0.10 0.00 0.01 0.00 0.00 42.46 42.30 2q4r s ILE 120 CO 0.61 0.04 0.23 -0.70 0.00 0.00 0.00 174.94 175.11 2q4r s GLU 121 N 2.24 2.30 -0.19 2.79 2.12 0.12 -5.00 118.70 123.08 2q4r s GLU 121 Ca 0.04 -1.66 -0.29 0.00 0.36 0.00 0.00 54.97 53.42 2q4r s GLU 121 Cb -0.13 -3.66 -0.00 0.00 0.26 0.00 0.00 34.13 30.59 2q4r s GLU 121 CO -0.06 -1.02 1.14 0.12 -0.54 0.00 0.00 175.26 174.89 2q4r s PHE 122 N 1.27 3.13 0.24 5.30 5.36 -1.26 -2.12 117.98 129.89 2q4r s PHE 122 Ca 0.05 1.27 0.10 0.00 -0.96 0.00 0.00 56.93 57.39 2q4r s PHE 122 Cb -0.23 -3.37 -0.05 0.00 -0.34 0.00 0.00 43.02 39.03 2q4r s PHE 122 CO -0.02 -1.02 -0.18 0.50 -1.46 0.00 0.00 175.22 173.04 2q4r s ARG 123 N 3.25 1.51 0.59 10.12 6.06 -1.26 -5.02 118.95 134.20 2q4r s ARG 123 Ca 0.49 -1.66 0.29 0.00 -2.50 0.00 0.00 55.73 52.35 2q4r s ARG 123 Cb -0.18 -1.51 1.47 0.00 0.06 0.00 0.00 34.95 34.79 2q4r s ARG 123 CO 0.11 0.28 1.89 -0.91 -2.50 0.00 0.00 175.30 174.16 2q4r h ASN 124 N 2.51 0.00 -0.14 -2.12 2.35 -1.96 -3.44 115.58 112.79 2q4r h ASN 124 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2q4r h ASN 124 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2q4r h ASN 124 CO 0.59 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 2q4r n GLY 125 N -1.52 1.23 2.39 2.83 0.00 -1.26 -0.90 105.19 107.95 2q4r n GLY 125 Ca 0.09 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2q4r n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4r n LEU 127 N 0.32 2.60 -4.67 0.99 4.77 -0.61 -4.52 117.00 115.88 2q4r n LEU 127 Ca 0.07 -5.19 -0.47 0.00 -0.03 0.00 0.00 56.01 50.39 2q4r n LEU 127 Cb 0.29 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2q4r n LEU 127 CO 0.05 2.04 1.53 -3.20 -1.33 0.00 0.00 177.39 176.48 2q4r n ASN 128 N 1.13 3.64 -4.64 -1.43 2.85 -0.90 -3.94 115.26 111.96 2q4r n ASN 128 Ca 0.27 0.94 -0.33 0.00 -0.11 0.00 0.00 54.58 55.35 2q4r n ASN 128 Cb 0.44 -1.41 -0.10 0.00 1.24 0.00 0.00 39.78 39.95 2q4r n ASN 128 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2q4r s VAL 129 N 4.28 4.00 -0.14 3.44 1.01 0.01 -0.70 120.40 132.30 2q4r s VAL 129 Ca 0.92 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 2q4r s VAL 129 Cb -0.62 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.10 2q4r s VAL 129 CO 0.49 0.48 0.16 -0.55 0.00 0.00 0.00 175.10 175.68 2q4r s SER 130 N -1.23 1.25 0.40 3.32 0.15 -0.62 -0.38 113.70 116.60 2q4r s SER 130 Ca 0.16 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.86 2q4r s SER 130 Cb -0.11 0.20 0.84 0.00 -1.71 0.00 0.00 66.02 65.23 2q4r s SER 130 CO 0.06 -0.29 2.03 -0.65 1.20 0.00 0.00 173.24 175.59 2q4r h PRO 131 N 8.36 0.59 0.11 5.44 0.11 -1.84 -2.83 132.00 141.94 2q4r h PRO 131 Ca -0.15 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.62 2q4r h PRO 131 Cb 1.13 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2q4r h PRO 131 CO 0.21 0.39 -1.56 0.97 -0.21 0.00 0.00 178.00 177.80 2q4r h ILE 132 N 0.60 1.11 0.00 4.15 2.10 -1.84 -3.47 117.51 120.17 2q4r h ILE 132 Ca 0.20 -2.77 0.00 0.00 1.08 0.00 0.00 64.86 63.37 2q4r h ILE 132 Cb 0.05 2.73 0.00 0.00 -1.09 0.00 0.00 36.82 38.51 2q4r h ILE 132 CO -0.05 0.81 0.00 0.61 -1.08 0.00 0.00 178.15 178.44 2q4r n GLY 133 N 1.68 2.79 0.00 8.18 0.00 -1.07 -0.95 105.19 115.82 2q4r n GLY 133 Ca -0.17 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.60 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 1.34 0.09 0.13 1.61 1.74 -0.80 -2.31 116.66 118.46 2q4r n ARG 134 Ca 0.00 0.19 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 2q4r n ARG 134 Cb 0.00 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.00 -2.67 0.55 4.64 -1.69 -3.47 113.55 110.90 2q4r h SER 135 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2q4r h SER 135 Cb 0.04 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.31 2q4r h SER 135 CO 0.00 0.34 -0.72 0.00 -0.87 0.00 0.00 176.83 175.58 2q4r s SER 137 N -1.18 3.00 0.19 0.00 1.04 -1.26 -4.77 113.70 110.71 2q4r s SER 137 Ca 0.63 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 2q4r s SER 137 Cb -0.42 -0.27 0.18 0.00 0.10 0.00 0.00 66.02 65.61 2q4r s SER 137 CO 0.61 -2.80 1.77 -0.61 0.98 0.00 0.00 173.24 173.18 2q4r h GLN 138 N -1.69 0.46 -0.54 4.02 -0.00 -1.99 0.00 115.11 115.37 2q4r h GLN 138 Ca -0.44 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.14 2q4r h GLN 138 Cb 1.23 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.58 2q4r h GLN 138 CO 0.36 0.30 0.18 0.93 0.00 0.00 0.00 178.83 180.61 2q4r h GLU 139 N 0.47 0.83 -0.44 1.69 3.07 -2.00 -1.78 114.58 116.42 2q4r h GLU 139 Ca 0.25 -0.17 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 2q4r h GLU 139 Cb 0.20 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 2q4r h GLU 139 CO -0.20 0.75 -0.04 0.93 -1.40 0.00 0.00 179.01 179.05 2q4r h GLU 140 N 0.74 0.74 -0.51 2.33 5.08 -1.83 -1.63 114.58 119.51 2q4r h GLU 140 Ca 0.18 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2q4r h GLU 140 Cb 0.26 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2q4r h GLU 140 CO -0.01 0.78 0.02 -0.09 -1.00 0.00 0.00 179.01 178.71 2q4r h ARG 141 N 0.69 0.84 -0.12 2.33 2.43 -0.66 -1.21 114.38 118.68 2q4r h ARG 141 Ca 0.13 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2q4r h ARG 141 Cb 0.48 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2q4r h ARG 141 CO 0.02 0.83 -0.01 0.82 -1.51 0.00 0.00 179.97 180.13 2q4r h ILE 142 N 0.79 1.27 -0.18 1.20 1.08 -0.81 0.29 117.51 121.14 2q4r h ILE 142 Ca 0.15 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 2q4r h ILE 142 Cb 0.45 1.61 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 2q4r h ILE 142 CO 0.02 0.25 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.47 2q4r h GLU 143 N -0.07 -0.19 -0.59 2.37 4.81 -1.14 0.53 114.58 120.30 2q4r h GLU 143 Ca 0.03 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2q4r h GLU 143 Cb 0.39 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2q4r h GLU 143 CO 0.01 -0.13 0.08 0.35 -0.73 0.00 0.00 179.01 178.59 2q4r h PHE 144 N -0.20 1.02 -0.71 0.92 3.57 -1.15 -1.51 116.94 118.88 2q4r h PHE 144 Ca 0.11 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2q4r h PHE 144 Cb 0.37 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2q4r h PHE 144 CO -0.31 0.87 0.17 -0.92 -2.23 0.00 0.00 178.31 175.89 2q4r h TYR 145 N 0.90 1.18 -0.09 0.41 3.20 0.88 0.68 116.97 124.13 2q4r h TYR 145 Ca 0.18 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2q4r h TYR 145 Cb 0.42 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2q4r h TYR 145 CO 0.03 0.96 -0.43 1.05 -1.64 0.00 0.00 178.16 178.12 2q4r h GLU 146 N 1.07 0.21 -0.20 1.82 4.11 0.25 0.15 114.58 121.99 2q4r h GLU 146 Ca 0.22 -0.10 -0.20 0.00 0.07 0.00 0.00 59.36 59.35 2q4r h GLU 146 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2q4r h GLU 146 CO 0.00 0.61 -0.66 1.25 0.07 0.00 0.00 179.01 180.28 2q4r h LEU 147 N 0.18 0.93 -0.48 3.06 5.85 -0.71 -2.82 115.31 121.32 2q4r h LEU 147 Ca 0.01 -0.59 -0.11 0.00 0.84 0.00 0.00 57.88 58.03 2q4r h LEU 147 Cb 0.84 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2q4r h LEU 147 CO 0.07 1.36 -0.15 -0.78 -0.34 0.00 0.00 178.44 178.60 2q4r h ASP 148 N 0.54 0.95 0.19 1.25 3.58 0.76 1.27 116.42 124.96 2q4r h ASP 148 Ca -0.03 -0.37 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 2q4r h ASP 148 Cb 1.29 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2q4r h ASP 148 CO 0.14 1.11 -0.13 0.11 -2.88 0.00 0.00 179.24 177.59 2q4r h LYS 149 N 0.79 0.00 0.06 0.28 1.57 -0.73 0.96 116.57 119.49 2q4r h LYS 149 Ca 0.12 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.58 2q4r h LYS 149 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2q4r h LYS 149 CO 0.05 0.13 -1.73 1.17 -0.57 0.00 0.00 179.45 178.51 2q4r n LYS 150 N -4.11 0.66 0.13 3.15 4.81 -0.99 -4.50 118.16 117.30 2q4r n LYS 150 Ca -0.02 0.40 0.10 0.00 -0.87 0.00 0.00 58.31 57.91 2q4r n LYS 150 Cb 0.21 -1.71 0.03 0.00 0.02 0.00 0.00 35.03 33.59 2q4r n LYS 150 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2q4r h GLU 151 N -0.47 0.00 -4.72 1.64 4.39 0.17 -3.49 114.58 112.11 2q4r h GLU 151 Ca -0.42 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.01 2q4r h GLU 151 Cb 1.68 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 30.45 2q4r h GLU 151 CO -0.08 0.05 -0.55 0.09 -1.16 0.00 0.00 179.01 177.35 2q4r n ASN 152 N -2.83 -3.40 0.12 1.42 4.13 0.33 -4.95 115.26 110.09 2q4r n ASN 152 Ca 0.00 -0.44 -0.06 0.00 1.68 0.00 0.00 54.58 55.76 2q4r n ASN 152 Cb 0.58 -3.97 -0.03 0.00 -1.54 0.00 0.00 39.78 34.82 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 -1.69 0.00 -0.56 2.41 1.08 -1.85 -2.32 117.51 114.57 2q4r h ILE 153 Ca -0.44 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.11 2q4r h ILE 153 Cb 1.27 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2q4r h ILE 153 CO 0.40 0.00 0.38 0.03 -0.69 0.00 0.00 178.15 178.26 2q4r h ARG 154 N -0.36 0.45 0.45 2.37 3.08 -1.93 -2.25 114.38 116.18 2q4r h ARG 154 Ca -0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2q4r h ARG 154 Cb 0.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2q4r h ARG 154 CO 0.01 0.30 -0.24 0.37 -1.07 0.00 0.00 179.97 179.34 2q4r h GLN 155 N 0.46 -0.61 0.00 0.04 4.15 -1.92 -0.20 115.11 117.03 2q4r h GLN 155 Ca 0.25 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 2q4r h GLN 155 Cb 0.39 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2q4r h GLN 155 CO -0.07 -0.41 -0.16 0.87 -1.93 0.00 0.00 178.83 177.13 2q4r h LYS 156 N -0.64 0.00 0.14 1.69 1.57 -1.10 -1.39 116.57 116.84 2q4r h LYS 156 Ca -0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2q4r h LYS 156 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2q4r h LYS 156 CO 0.08 0.16 -0.07 0.35 -0.57 0.00 0.00 179.45 179.40 2q4r h PHE 157 N 0.00 -0.18 0.00 -1.35 3.04 -1.08 -1.22 116.94 116.16 2q4r h PHE 157 Ca -0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2q4r h PHE 157 Cb 0.35 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 2q4r h PHE 157 CO 0.00 0.28 -0.01 0.28 -2.02 0.00 0.00 178.31 176.84 2q4r h VAL 158 N -0.79 0.08 0.00 1.41 2.07 -0.79 -0.68 116.25 117.56 2q4r h VAL 158 Ca -0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2q4r h VAL 158 Cb 0.54 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2q4r h VAL 158 CO 0.03 0.01 -0.18 0.00 0.02 0.00 0.00 177.57 177.44 2q4r h ALA 159 N 1.99 0.03 -0.28 1.67 0.00 -1.17 -2.88 119.26 118.63 2q4r h ALA 159 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2q4r h ALA 159 Cb 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2q4r h ALA 159 CO 0.00 0.11 0.13 -0.44 0.00 0.00 0.00 179.25 179.05 2q4r h ASP 160 N -1.00 0.34 -0.02 0.00 3.32 -0.83 -2.45 116.42 115.79 2q4r h ASP 160 Ca -0.04 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2q4r h ASP 160 Cb 0.78 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2q4r h ASP 160 CO -0.03 0.30 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.71 2q4r h LEU 161 N 0.39 0.04 -1.14 1.55 3.38 -1.27 -2.20 115.31 116.07 2q4r h LEU 161 Ca 0.10 -0.46 0.24 0.00 0.09 0.00 0.00 57.88 57.85 2q4r h LEU 161 Cb 0.05 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 2q4r h LEU 161 CO -0.01 0.50 0.62 -0.09 0.09 0.00 0.00 178.44 179.55 2q4r h ARG 162 N -0.41 0.53 0.07 1.13 2.43 -1.21 0.64 114.38 117.56 2q4r h ARG 162 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2q4r h ARG 162 Cb 0.48 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2q4r h ARG 162 CO 0.00 0.35 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.56 2q4r h LYS 163 N 0.55 -0.09 -0.82 0.20 3.64 -1.45 -3.07 116.57 115.53 2q4r h LYS 163 Ca 0.61 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 60.17 2q4r h LYS 163 Cb 1.26 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 2q4r h LYS 163 CO -0.39 0.48 0.55 1.49 -2.27 0.00 0.00 179.45 179.31 2q4r h GLU 164 N -0.81 0.39 -0.82 1.90 4.57 -0.62 -2.49 114.58 116.70 2q4r h GLU 164 Ca -0.01 -0.02 -0.58 0.00 -1.18 0.00 0.00 59.36 57.57 2q4r h GLU 164 Cb 0.61 -0.09 -0.37 0.00 -0.16 0.00 0.00 28.75 28.75 2q4r h GLU 164 CO 0.02 0.26 -0.20 1.19 -1.18 0.00 0.00 179.01 179.09 2q4r n PHE 165 N -4.49 2.83 -1.76 0.92 3.72 0.12 -5.04 117.46 113.77 2q4r n PHE 165 Ca 0.17 -2.47 -0.34 0.00 -0.05 0.00 0.00 57.45 54.76 2q4r n PHE 165 Cb 0.61 -0.73 0.05 0.00 -0.94 0.00 0.00 39.48 38.47 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 -3.66 2.42 0.00 4.37 0.00 -0.94 -2.77 121.76 121.19 2q4r s ALA 166 Ca 0.55 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2q4r s ALA 166 Cb 0.44 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2q4r s ALA 166 CO 0.02 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2q4r n GLY 167 N -0.19 1.63 0.67 0.00 0.00 -1.26 -4.78 105.19 101.25 2q4r n GLY 167 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.80 1.79 -3.12 1.61 4.76 -1.11 -4.97 118.16 115.32 2q4r n LYS 168 Ca 0.00 -0.76 -0.09 0.00 -2.87 0.00 0.00 58.31 54.59 2q4r n LYS 168 Cb 0.00 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.70 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 0.40 -1.05 3.46 0.72 0.00 -1.26 -5.01 105.19 102.45 2q4r n GLY 169 Ca 0.07 0.48 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.61 -0.19 0.10 0.99 1.43 -1.26 -3.91 118.68 114.22 2q4r s LEU 170 Ca 0.11 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2q4r s LEU 170 Cb -0.02 2.04 -0.04 0.00 0.03 0.00 0.00 46.19 48.21 2q4r s LEU 170 CO 0.44 -0.35 -0.09 -0.89 0.23 0.00 0.00 176.35 175.70 2q4r s THR 171 N -0.32 3.44 0.34 5.49 2.01 0.32 -4.70 115.64 122.22 2q4r s THR 171 Ca -0.05 -1.21 0.09 0.00 0.31 0.00 0.00 61.69 60.83 2q4r s THR 171 Cb -0.03 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.81 2q4r s THR 171 CO 0.04 0.13 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.67 2q4r s PHE 172 N -1.21 2.44 -0.30 4.92 0.08 -1.26 -1.99 117.98 120.66 2q4r s PHE 172 Ca 0.22 -0.48 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 2q4r s PHE 172 Cb -0.11 -1.40 0.14 0.00 -0.57 0.00 0.00 43.02 41.08 2q4r s PHE 172 CO 0.14 0.56 0.75 0.45 -0.10 0.00 0.00 175.22 177.02 2q4r s SER 173 N -3.64 -0.98 -0.25 1.36 0.15 -0.68 -4.98 113.70 104.68 2q4r s SER 173 Ca 0.33 1.32 -0.14 0.00 0.70 0.00 0.00 55.95 58.16 2q4r s SER 173 Cb 0.02 2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 66.39 2q4r s SER 173 CO 0.17 -0.19 0.32 -0.63 1.20 0.00 0.00 173.24 174.11 2q4r s ILE 174 N 2.76 5.23 0.12 6.45 1.01 -1.26 0.16 121.20 135.68 2q4r s ILE 174 Ca -0.04 0.47 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 2q4r s ILE 174 Cb -0.10 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2q4r s ILE 174 CO -0.19 0.22 0.17 -0.83 0.00 0.00 0.00 174.94 174.31 2q4r s GLY 175 N 1.46 0.48 0.00 6.18 0.00 -1.23 -5.02 107.32 109.20 2q4r s GLY 175 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2q4r s GLY 175 CO 0.09 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 172.80 2q4r n GLY 176 N -0.11 0.28 0.00 0.20 0.00 -1.26 -4.07 105.19 100.24 2q4r n GLY 176 Ca -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.06 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 3.13 0.00 1.61 6.02 -1.26 -4.82 117.38 122.06 2q4r n GLN 177 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2q4r n GLN 177 Cb 0.00 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.36 0.00 -4.39 5.09 -0.00 -1.26 -4.28 119.36 113.16 2q4r n ILE 178 Ca 0.01 -0.17 -0.21 0.00 -0.00 0.00 0.00 62.75 62.38 2q4r n ILE 178 Cb 0.16 1.13 -0.06 0.00 -0.00 0.00 0.00 39.64 40.87 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 -0.27 0.82 -3.67 7.28 3.41 -1.26 -3.75 113.62 116.19 2q4r n SER 179 Ca 0.00 -2.88 -0.12 0.00 -0.26 0.00 0.00 58.87 55.61 2q4r n SER 179 Cb 0.03 1.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.90 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 -2.94 -0.73 0.31 7.33 -0.12 0.49 -3.51 117.98 118.81 2q4r s PHE 180 Ca 0.21 1.66 -0.13 0.00 -0.05 0.00 0.00 56.93 58.62 2q4r s PHE 180 Cb 0.01 0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 42.63 2q4r s PHE 180 CO 0.15 -0.36 0.69 -0.51 -0.05 0.00 0.00 175.22 175.14 2q4r s ASP 181 N 0.74 6.70 -0.16 1.98 1.01 0.12 -0.81 116.67 126.26 2q4r s ASP 181 Ca -0.03 1.16 -0.02 0.00 0.71 0.00 0.00 52.55 54.37 2q4r s ASP 181 Cb -0.05 -2.32 0.05 0.00 1.01 0.00 0.00 42.92 41.60 2q4r s ASP 181 CO -0.05 -0.19 0.01 -0.69 0.21 0.00 0.00 175.17 174.46 2q4r s VAL 182 N -1.98 0.59 0.04 -1.27 1.01 -1.25 -1.69 120.40 115.85 2q4r s VAL 182 Ca 0.52 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2q4r s VAL 182 Cb -0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 2q4r s VAL 182 CO 0.20 -0.03 0.07 0.72 0.00 0.00 0.00 175.10 176.06 2q4r s PHE 183 N 1.85 0.27 0.43 5.22 -0.12 -0.84 -1.57 117.98 123.21 2q4r s PHE 183 Ca 0.01 -0.64 -0.26 0.00 -0.05 0.00 0.00 56.93 55.99 2q4r s PHE 183 Cb -0.15 -0.19 -0.09 0.00 -0.63 0.00 0.00 43.02 41.95 2q4r s PHE 183 CO -0.07 -0.37 1.38 -2.30 -0.05 0.00 0.00 175.22 173.80 2q4r n PRO 184 N 0.62 2.18 -1.58 1.99 -0.02 -1.26 -0.52 135.00 136.40 2q4r n PRO 184 Ca -0.18 0.78 -0.48 0.00 -2.02 0.00 0.00 63.50 61.60 2q4r n PRO 184 Cb 0.59 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.07 1.38 -0.10 2.55 8.00 -1.25 -1.25 116.55 125.95 2q4r n ASP 185 Ca 0.05 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.69 2q4r n ASP 185 Cb 0.40 -1.24 -0.01 0.00 -0.02 0.00 0.00 41.12 40.26 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 1.86 0.50 1.48 0.44 0.00 -1.26 -4.92 105.19 103.30 2q4r n GLY 186 Ca 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.86 1.41 -1.90 1.61 7.02 -0.38 -2.17 117.44 120.18 2q4r n TRP 187 Ca -0.01 -0.88 0.00 0.00 -1.02 0.00 0.00 57.50 55.59 2q4r n TRP 187 Cb 0.10 -0.50 0.00 0.00 -2.42 0.00 0.00 31.31 28.49 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 -0.09 0.00 0.12 -0.99 5.75 -1.26 -4.73 116.55 115.35 2q4r n ASP 188 Ca 0.25 -0.95 0.04 0.00 -0.01 0.00 0.00 54.79 54.12 2q4r n ASP 188 Cb 0.97 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 41.30 2q4r n ASP 188 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2q4r n LYS 189 N -0.95 0.06 0.21 0.11 5.02 -1.26 0.19 118.16 121.54 2q4r n LYS 189 Ca 0.00 0.48 0.09 0.00 -2.02 0.00 0.00 58.31 56.86 2q4r n LYS 189 Cb 0.00 -2.01 0.44 0.00 -0.02 0.00 0.00 35.03 33.45 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 0.00 -0.46 1.97 3.08 -1.85 -2.59 114.38 114.53 2q4r h ARG 190 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 2q4r h ARG 190 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2q4r h ARG 190 CO 0.00 0.26 0.40 -0.92 -1.07 0.00 0.00 179.97 178.64 2q4r h TYR 191 N 0.00 0.00 0.00 3.04 3.20 0.25 -3.22 116.97 120.24 2q4r h TYR 191 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2q4r h TYR 191 Cb 0.75 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2q4r h TYR 191 CO 0.00 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 2q4r n LEU 193 N -0.33 0.00 -0.28 0.00 4.77 -1.21 -1.61 117.00 118.33 2q4r n LEU 193 Ca 0.00 0.00 0.27 0.00 -0.03 0.00 0.00 56.01 56.25 2q4r n LEU 193 Cb 0.00 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.58 2q4r n LEU 193 CO 0.00 0.00 0.88 -2.11 -1.33 0.00 0.00 177.39 174.83 2q4r n ARG 194 N -1.74 -0.04 -0.20 3.23 1.85 -1.26 0.16 116.66 118.66 2q4r n ARG 194 Ca 0.00 1.08 0.04 0.00 -1.00 0.00 0.00 57.85 57.98 2q4r n ARG 194 Cb 0.00 -1.99 0.14 0.00 -1.05 0.00 0.00 32.46 29.56 2q4r n ARG 194 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2q4r n HIS 195 N -4.70 0.50 0.00 2.89 8.25 -0.64 -4.10 115.22 117.42 2q4r n HIS 195 Ca 0.31 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2q4r n HIS 195 Cb 1.08 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 32.14 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 0.36 0.00 0.00 1.59 0.24 0.41 -4.90 118.33 116.04 2q4r n VAL 196 Ca 0.10 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.23 2q4r n VAL 196 Cb 0.33 0.05 -0.13 0.00 -1.47 0.00 0.00 33.84 32.62 2q4r n VAL 196 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2q4r h GLU 197 N 0.00 0.23 -2.01 7.34 4.11 -1.42 -3.31 114.58 119.52 2q4r h GLU 197 Ca 0.00 -0.32 -0.01 0.00 0.07 0.00 0.00 59.36 59.10 2q4r h GLU 197 Cb 0.04 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2q4r h GLU 197 CO 0.00 1.10 -0.01 0.09 0.07 0.00 0.00 179.01 180.26 2q4r n ASN 198 N -4.32 4.13 0.00 3.06 3.02 -1.26 -4.11 115.26 115.78 2q4r n ASN 198 Ca -0.12 -2.10 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 2q4r n ASN 198 Cb 0.66 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.66 0.00 0.00 6.41 8.00 -1.25 -5.10 116.55 126.28 2q4r n ASP 199 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2q4r n ASP 199 Cb 0.40 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 3.55 0.04 3.74 0.44 0.00 -1.26 -5.14 105.19 106.57 2q4r n GLY 200 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.71 0.07 1.61 2.02 -1.26 -4.75 117.35 118.75 2q4r s TYR 201 Ca 0.00 1.71 0.09 0.00 -0.37 0.00 0.00 57.07 58.50 2q4r s TYR 201 Cb 0.00 -3.17 -0.13 0.00 -0.40 0.00 0.00 41.96 38.25 2q4r s TYR 201 CO 0.00 -0.23 1.33 0.87 -1.57 0.00 0.00 175.55 175.95 2q4r h LYS 202 N 4.96 0.00 -4.03 -0.62 6.56 -0.71 -3.46 116.57 119.28 2q4r h LYS 202 Ca -0.44 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 58.91 2q4r h LYS 202 Cb 1.21 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 32.62 2q4r h LYS 202 CO 0.71 0.88 -0.72 0.99 -2.06 0.00 0.00 179.45 179.25 2q4r s THR 203 N -2.79 0.18 -0.26 -0.16 2.01 -1.19 -5.06 115.64 108.37 2q4r s THR 203 Ca 0.02 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 2q4r s THR 203 Cb 0.10 -0.23 0.08 0.00 0.01 0.00 0.00 72.50 72.46 2q4r s THR 203 CO 0.80 -0.18 0.06 -0.63 -0.69 0.00 0.00 174.62 173.98 2q4r s ILE 204 N -0.66 0.79 0.30 1.82 1.01 -1.26 -1.87 121.20 121.34 2q4r s ILE 204 Ca -0.06 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 2q4r s ILE 204 Cb -0.05 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 40.90 2q4r s ILE 204 CO -0.00 -0.45 0.70 -0.31 0.00 0.00 0.00 174.94 174.88 2q4r s TYR 205 N 1.70 3.40 -0.06 3.97 2.02 -0.30 -4.37 117.35 123.70 2q4r s TYR 205 Ca 0.04 1.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.92 2q4r s TYR 205 Cb -0.17 -2.49 0.02 0.00 -0.40 0.00 0.00 41.96 38.91 2q4r s TYR 205 CO -0.17 0.14 -0.09 0.12 -1.57 0.00 0.00 175.55 173.97 2q4r s PHE 206 N -1.93 1.21 -0.12 2.71 5.36 -1.26 -0.57 117.98 123.38 2q4r s PHE 206 Ca 0.52 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.09 2q4r s PHE 206 Cb -0.11 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.64 2q4r s PHE 206 CO 0.18 -0.25 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.45 2q4r s PHE 207 N 0.77 2.69 -0.94 10.12 0.08 0.01 -0.28 117.98 130.42 2q4r s PHE 207 Ca -0.13 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.01 2q4r s PHE 207 Cb -0.15 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 2q4r s PHE 207 CO 0.02 -0.36 0.00 0.41 -0.10 0.00 0.00 175.22 175.20 2q4r n GLY 208 N 3.62 -0.69 3.50 4.36 0.00 -0.70 -2.24 105.19 113.05 2q4r n GLY 208 Ca -0.19 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 4.28 0.00 1.61 1.11 -1.26 0.48 116.67 118.89 2q4r s ASP 209 Ca 0.00 -0.15 0.29 0.00 0.18 0.00 0.00 52.55 52.87 2q4r s ASP 209 Cb 0.00 -1.08 1.18 0.00 1.07 0.00 0.00 42.92 44.09 2q4r s ASP 209 CO 0.00 0.32 1.84 2.29 1.18 0.00 0.00 175.17 180.81 2q4r n LYS 210 N 2.46 0.45 -4.61 8.23 2.85 -1.26 -4.53 118.16 121.75 2q4r n LYS 210 Ca -0.18 -0.13 -0.28 0.00 -1.05 0.00 0.00 58.31 56.67 2q4r n LYS 210 Cb 0.53 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 2q4r n LYS 210 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2q4r s THR 211 N -2.64 1.56 0.00 0.58 2.01 -1.26 -1.70 115.64 114.18 2q4r s THR 211 Ca 0.24 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.24 2q4r s THR 211 Cb 0.20 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.98 2q4r s THR 211 CO 0.51 0.00 0.00 -3.20 -0.69 0.00 0.00 174.62 171.24 2q4r n ASN 216 N -1.00 0.00 0.00 3.53 5.15 -1.26 -4.59 115.26 117.09 2q4r n ASN 216 Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 2q4r n ASN 216 Cb 0.67 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.92 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 -0.38 0.00 -4.69 1.20 -0.08 -1.26 -5.14 116.55 106.19 2q4r n ASP 217 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 2q4r n ASP 217 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 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 0.00 3.42 0.36 -0.67 3.76 -0.69 -4.99 115.29 116.49 2q4r s HIS 218 Ca 0.00 0.66 0.12 0.00 -0.15 0.00 0.00 55.06 55.69 2q4r s HIS 218 Cb 0.00 -2.49 0.69 0.00 1.11 0.00 0.00 32.58 31.89 2q4r s HIS 218 CO 0.00 0.08 1.81 0.93 -0.85 0.00 0.00 174.74 176.71 2q4r h GLU 219 N 7.09 0.01 -0.41 1.40 3.07 -1.92 -2.86 114.58 120.96 2q4r h GLU 219 Ca -0.38 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.46 2q4r h GLU 219 Cb 1.17 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 2q4r h GLU 219 CO 0.73 0.39 0.18 0.97 -1.40 0.00 0.00 179.01 179.88 2q4r h ILE 220 N 0.01 1.15 -0.19 3.13 2.10 -1.94 0.11 117.51 121.88 2q4r h ILE 220 Ca -0.00 -0.45 -0.02 0.00 1.08 0.00 0.00 64.86 65.47 2q4r h ILE 220 Cb 0.68 0.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 2q4r h ILE 220 CO 0.05 0.18 0.01 0.15 -1.08 0.00 0.00 178.15 177.46 2q4r h PHE 221 N 0.57 0.28 -2.19 2.19 3.57 -1.84 -3.12 116.94 116.39 2q4r h PHE 221 Ca 0.14 -0.01 -0.65 0.00 3.53 0.00 0.00 57.97 60.98 2q4r h PHE 221 Cb 0.09 -0.09 -0.38 0.00 2.79 0.00 0.00 35.95 38.37 2q4r h PHE 221 CO 0.00 0.28 -0.19 0.25 -2.23 0.00 0.00 178.31 176.43 2q4r n THR 222 N -4.39 3.75 -5.02 4.41 -2.24 0.01 -3.98 114.28 106.83 2q4r n THR 222 Ca -0.00 -5.57 -0.30 0.00 -2.27 0.00 0.00 64.05 55.91 2q4r n THR 222 Cb 0.17 -1.42 -0.15 0.00 -2.10 0.00 0.00 70.33 66.83 2q4r n THR 222 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2q4r s ASP 223 N -2.89 2.97 0.40 3.42 -1.08 -1.13 -4.95 116.67 113.41 2q4r s ASP 223 Ca 0.47 -0.52 0.10 0.00 -0.52 0.00 0.00 52.55 52.07 2q4r s ASP 223 Cb 0.28 -0.29 0.90 0.00 -1.46 0.00 0.00 42.92 42.34 2q4r s ASP 223 CO -0.15 0.27 1.99 1.55 0.52 0.00 0.00 175.17 179.34 2q4r h PRO 224 N 5.12 0.54 0.00 4.34 0.13 -1.93 -1.33 132.00 138.87 2q4r h PRO 224 Ca -0.44 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2q4r h PRO 224 Cb 1.14 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2q4r h PRO 224 CO 0.45 0.36 -0.38 0.00 -0.23 0.00 0.00 178.00 178.20 2q4r h ARG 225 N 0.56 0.00 0.00 0.86 -0.00 -1.96 -3.51 114.38 110.33 2q4r h ARG 225 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.74 2q4r h ARG 225 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.29 2q4r h ARG 225 CO -0.08 0.38 0.00 0.25 0.00 0.00 0.00 179.97 180.53 2q4r n THR 226 N -3.88 0.00 -3.64 2.04 -2.24 -0.51 -4.30 114.28 101.76 2q4r n THR 226 Ca -0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 2q4r n THR 226 Cb 0.44 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.13 -0.07 3.38 0.00 -1.26 -4.58 107.32 104.67 2q4r s GLY 228 Ca 0.00 2.70 -0.00 0.00 0.00 0.00 0.00 44.72 47.41 2q4r s GLY 228 CO 0.00 1.81 -0.04 -0.19 0.00 0.00 0.00 173.10 174.69 2q4r s TYR 229 N 0.17 0.90 0.01 1.90 2.02 0.61 -4.93 117.35 118.04 2q4r s TYR 229 Ca 0.03 -0.31 -0.20 0.00 -0.37 0.00 0.00 57.07 56.22 2q4r s TYR 229 Cb -0.05 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.60 2q4r s TYR 229 CO -0.06 -0.31 0.57 -1.54 -1.57 0.00 0.00 175.55 172.63 2q4r s SER 230 N 1.48 6.97 0.15 2.29 1.04 -1.25 -1.71 113.70 122.67 2q4r s SER 230 Ca -0.02 1.15 0.08 0.00 0.48 0.00 0.00 55.95 57.65 2q4r s SER 230 Cb -0.13 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2q4r s SER 230 CO -0.03 0.16 -0.18 0.68 0.98 0.00 0.00 173.24 174.85 2q4r s VAL 231 N -0.48 1.71 -1.77 5.02 -7.23 0.18 -4.87 120.40 112.96 2q4r s VAL 231 Ca 0.30 -1.85 0.17 0.00 -1.81 0.00 0.00 61.98 58.78 2q4r s VAL 231 Cb -0.18 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.04 2q4r s VAL 231 CO 0.17 -0.32 0.94 0.35 -0.31 0.00 0.00 175.10 175.93 2q4r n THR 232 N 0.39 0.00 0.00 5.32 -2.24 -1.26 -4.60 114.28 111.89 2q4r n THR 232 Ca -0.14 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2q4r n THR 232 Cb 0.57 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 2q4r n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4r n ALA 233 N 0.29 0.00 -0.16 6.98 0.00 -1.26 -4.98 120.51 121.38 2q4r n ALA 233 Ca 0.08 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.72 2q4r n ALA 233 Cb 0.38 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.42 2q4r n ALA 233 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2q4r h PRO 234 N 0.00 0.25 -0.99 0.00 0.11 -1.80 0.36 132.00 129.93 2q4r h PRO 234 Ca 0.00 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.23 2q4r h PRO 234 Cb 0.00 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 30.96 2q4r h PRO 234 CO 0.00 0.16 0.61 0.93 -0.21 0.00 0.00 178.00 179.49 2q4r h GLU 235 N 0.26 0.89 0.10 1.05 3.07 -1.94 -1.53 114.58 116.48 2q4r h GLU 235 Ca 0.39 -0.05 -0.27 0.00 -0.50 0.00 0.00 59.36 58.93 2q4r h GLU 235 Cb 1.14 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 2q4r h GLU 235 CO -0.09 0.59 -1.40 -0.44 -1.40 0.00 0.00 179.01 176.26 2q4r h ASP 236 N 0.91 0.34 -0.59 1.42 5.19 -0.80 -2.96 116.42 119.93 2q4r h ASP 236 Ca 0.51 -0.83 0.12 0.00 -0.62 0.00 0.00 57.03 56.20 2q4r h ASP 236 Cb 0.58 -0.11 -0.11 0.00 0.18 0.00 0.00 39.33 39.87 2q4r h ASP 236 CO -0.30 1.61 -0.18 0.74 -3.12 0.00 0.00 179.24 177.99 2q4r h THR 237 N -0.36 0.37 -0.38 0.35 2.02 -0.63 0.16 112.91 114.43 2q4r h THR 237 Ca -0.31 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 2q4r h THR 237 Cb 1.72 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2q4r h THR 237 CO 0.03 0.00 -0.04 0.03 0.37 0.00 0.00 175.52 175.92 2q4r h ARG 238 N -0.03 0.70 -0.33 6.66 3.08 -1.44 0.24 114.38 123.25 2q4r h ARG 238 Ca 0.28 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 60.15 2q4r h ARG 238 Cb 0.46 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 2q4r h ARG 238 CO -0.62 0.82 -0.04 -0.09 -1.07 0.00 0.00 179.97 178.96 2q4r h ARG 239 N 0.51 0.04 0.04 0.04 2.43 -0.97 0.19 114.38 116.67 2q4r h ARG 239 Ca 0.10 -0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.01 2q4r h ARG 239 Cb 0.53 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2q4r h ARG 239 CO 0.03 0.03 -1.08 0.82 -1.51 0.00 0.00 179.97 178.25 2q4r h ILE 240 N 0.04 1.34 0.00 1.20 2.04 -0.75 -1.36 117.51 120.02 2q4r h ILE 240 Ca 0.16 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.59 2q4r h ILE 240 Cb 0.23 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2q4r h ILE 240 CO -0.31 0.74 0.00 0.00 0.00 0.00 0.00 178.15 178.58 2q4r n GLU 242 N -1.72 0.61 0.18 0.00 4.07 0.64 -4.21 120.64 120.21 2q4r n GLU 242 Ca 0.02 -0.10 0.09 0.00 -0.06 0.00 0.00 57.16 57.11 2q4r n GLU 242 Cb 0.13 -1.31 0.11 0.00 -0.06 0.00 0.00 31.44 30.31 2q4r n GLU 242 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2q4r h LEU 243 N 0.00 0.00 0.00 4.31 5.85 -0.55 -3.25 115.31 121.67 2q4r h LEU 243 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2q4r h LEU 243 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2q4r h LEU 243 CO 0.00 0.15 -0.85 -0.11 -0.34 0.00 0.00 178.44 177.29 2q4r n LEU 244 N -3.09 0.63 -3.59 2.25 7.94 -0.69 -4.64 117.00 115.81 2q4r n LEU 244 Ca 0.03 0.02 -0.28 0.00 -1.11 0.00 0.00 56.01 54.67 2q4r n LEU 244 Cb 0.59 -0.14 -0.11 0.00 0.53 0.00 0.00 43.42 44.30 2q4r n LEU 244 CO 0.36 0.04 -0.22 -0.36 -1.11 0.00 0.00 177.39 176.11 2q4r s PHE 245 N -3.15 1.99 0.00 1.96 0.08 -1.23 -5.08 117.98 112.55 2q4r s PHE 245 Ca 0.06 -2.65 0.00 0.00 0.12 0.00 0.00 56.93 54.45 2q4r s PHE 245 Cb 0.15 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 2q4r s PHE 245 CO 0.77 -0.73 0.00 0.43 -0.10 0.00 0.00 175.22 175.59