#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 0.17 3.75 0.55 0.00 -1.26 -4.23 105.19 104.17 2q4r n GLY 5 Ca 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 4.13 0.10 1.61 0.02 -1.26 -4.78 135.00 134.82 2q4r s PRO 6 Ca 0.00 2.57 0.02 0.00 0.02 0.00 0.00 61.00 63.61 2q4r s PRO 6 Cb 0.00 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 2q4r s PRO 6 CO 0.00 -0.62 -0.07 0.00 -0.33 0.00 0.00 177.00 175.98 2q4r s ALA 7 N -0.03 1.03 0.02 -1.55 0.00 -1.26 0.09 121.76 120.06 2q4r s ALA 7 Ca 0.63 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2q4r s ALA 7 Cb -0.48 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2q4r s ALA 7 CO 0.48 -0.22 -0.11 -1.17 0.00 0.00 0.00 175.76 174.74 2q4r s LEU 8 N -3.06 2.12 -0.19 0.00 2.96 -0.82 -3.36 118.68 116.32 2q4r s LEU 8 Ca 0.13 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2q4r s LEU 8 Cb 0.05 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.29 2q4r s LEU 8 CO -0.04 0.02 -0.12 0.00 -1.32 0.00 0.00 176.35 174.89 2q4r s LEU 10 N 1.19 2.89 0.02 0.00 1.43 -0.01 0.20 118.68 124.41 2q4r s LEU 10 Ca 0.02 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 2q4r s LEU 10 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2q4r s LEU 10 CO -0.05 0.18 -0.25 -0.36 0.23 0.00 0.00 176.35 176.10 2q4r s PHE 11 N 0.27 2.37 0.39 0.29 0.08 0.40 -0.44 117.98 121.34 2q4r s PHE 11 Ca -0.07 -0.39 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 2q4r s PHE 11 Cb -0.15 -1.44 -0.10 0.00 -0.57 0.00 0.00 43.02 40.76 2q4r s PHE 11 CO 0.05 0.10 0.99 0.34 -0.10 0.00 0.00 175.22 176.60 2q4r s ASP 12 N -1.09 6.96 0.00 1.36 3.68 0.11 0.08 116.67 127.78 2q4r s ASP 12 Ca 0.12 1.87 0.00 0.00 2.13 0.00 0.00 52.55 56.67 2q4r s ASP 12 Cb -0.10 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 2q4r s ASP 12 CO 0.02 -0.34 0.10 1.33 0.13 0.00 0.00 175.17 176.40 2q4r n VAL 13 N -0.09 0.00 -1.77 1.11 0.24 -0.28 -3.85 118.33 113.69 2q4r n VAL 13 Ca 0.05 0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 62.19 2q4r n VAL 13 Cb 0.51 -0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.32 6.46 0.00 -1.34 2.15 -1.26 -1.93 116.67 119.43 2q4r s ASP 14 Ca 0.00 2.71 0.00 0.00 0.43 0.00 0.00 52.55 55.69 2q4r s ASP 14 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2q4r s ASP 14 CO 0.00 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 2q4r n GLY 15 N 4.12 3.06 0.13 2.66 0.00 -1.00 -4.80 105.19 109.36 2q4r n GLY 15 Ca 0.17 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 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 0.82 0.00 2.61 2.02 -1.66 -3.19 112.91 113.51 2q4r h THR 16 Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2q4r h THR 16 Cb 0.00 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2q4r h THR 16 CO 0.00 0.77 -0.80 0.18 0.37 0.00 0.00 175.52 176.04 2q4r n LEU 17 N -3.73 0.76 -4.03 2.58 4.77 -0.81 -3.16 117.00 113.36 2q4r n LEU 17 Ca -0.29 -0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 55.10 2q4r n LEU 17 Cb 0.97 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.98 2q4r n LEU 17 CO 0.41 0.19 -0.07 0.42 -1.33 0.00 0.00 177.39 177.01 2q4r s THR 18 N -2.57 0.05 0.37 -5.08 -4.23 -1.25 -4.57 115.64 98.37 2q4r s THR 18 Ca 0.06 -1.57 -0.25 0.00 -1.18 0.00 0.00 61.69 58.75 2q4r s THR 18 Cb 0.12 -2.04 -0.09 0.00 1.34 0.00 0.00 72.50 71.84 2q4r s THR 18 CO 0.68 -0.23 1.05 0.00 -0.54 0.00 0.00 174.62 175.58 2q4r s ALA 19 N -4.02 3.15 0.07 3.99 0.00 -1.26 -2.38 121.76 121.31 2q4r s ALA 19 Ca 0.23 0.72 -0.37 0.00 0.00 0.00 0.00 51.96 52.54 2q4r s ALA 19 Cb 0.04 -3.27 -0.16 0.00 0.00 0.00 0.00 23.12 19.72 2q4r s ALA 19 CO 0.04 -0.17 1.41 -2.30 0.00 0.00 0.00 175.76 174.74 2q4r n PRO 20 N 0.22 1.30 -3.43 0.00 -0.02 -1.26 -1.82 135.00 129.98 2q4r n PRO 20 Ca 0.04 0.47 -0.19 0.00 -2.02 0.00 0.00 63.50 61.79 2q4r n PRO 20 Cb 0.49 -2.14 0.08 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.93 -6.84 -3.59 -0.52 1.74 -1.26 -5.02 116.66 104.10 2q4r n ARG 21 Ca 0.19 0.77 -0.12 0.00 -0.77 0.00 0.00 57.85 57.92 2q4r n ARG 21 Cb 0.20 -5.60 -0.05 0.00 -1.02 0.00 0.00 32.46 25.99 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2q4r s GLN 22 N -5.82 1.07 0.51 5.56 -0.21 -0.76 -5.16 119.66 114.86 2q4r s GLN 22 Ca 0.32 -0.52 -0.18 0.00 0.02 0.00 0.00 55.36 55.00 2q4r s GLN 22 Cb -0.14 0.48 -0.08 0.00 1.00 0.00 0.00 33.01 34.27 2q4r s GLN 22 CO 0.67 -0.42 1.01 0.21 -2.12 0.00 0.00 175.29 174.64 2q4r s LYS 23 N -3.33 3.81 0.75 2.91 2.20 -1.26 -4.45 119.74 120.38 2q4r s LYS 23 Ca -0.00 1.15 -0.15 0.00 -0.36 0.00 0.00 55.97 56.60 2q4r s LYS 23 Cb 0.01 -2.11 0.05 0.00 -1.51 0.00 0.00 37.83 34.26 2q4r s LYS 23 CO -0.09 -0.39 1.18 1.51 -0.36 0.00 0.00 175.35 177.20 2q4r n ILE 24 N -1.36 2.93 -2.73 5.43 3.06 0.92 -4.70 119.36 122.91 2q4r n ILE 24 Ca 0.08 -0.31 -0.32 0.00 -2.50 0.00 0.00 62.75 59.70 2q4r n ILE 24 Cb 0.53 -1.26 -0.05 0.00 0.54 0.00 0.00 39.64 39.41 2q4r n ILE 24 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2q4r s THR 25 N -1.88 4.58 0.07 9.51 2.01 -1.26 -4.92 115.64 123.76 2q4r s THR 25 Ca 0.76 1.10 -0.23 0.00 0.31 0.00 0.00 61.69 63.63 2q4r s THR 25 Cb -0.32 -3.67 -0.15 0.00 0.01 0.00 0.00 72.50 68.36 2q4r s THR 25 CO 0.48 -0.47 1.66 0.11 -0.69 0.00 0.00 174.62 175.71 2q4r h LYS 26 N 1.48 0.03 0.00 4.92 1.79 -2.01 0.45 116.57 123.22 2q4r h LYS 26 Ca -0.48 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2q4r h LYS 26 Cb 1.18 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2q4r h LYS 26 CO 0.63 0.11 0.00 -1.91 -1.08 0.00 0.00 179.45 177.19 2q4r n GLU 27 N -5.03 0.00 0.00 3.15 2.13 -1.26 -0.17 120.64 119.46 2q4r n GLU 27 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2q4r n GLU 27 Cb 0.07 -0.90 0.00 0.00 0.27 0.00 0.00 31.44 30.88 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 0.23 0.00 0.21 4.31 2.03 0.16 -0.97 116.55 122.52 2q4r n ASP 29 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2q4r n ASP 29 Cb 0.00 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.06 -0.12 1.67 3.32 -0.79 -1.70 116.42 118.85 2q4r h ASP 30 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2q4r h ASP 30 Cb 0.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2q4r h ASP 30 CO 0.00 0.12 -0.02 0.15 -1.72 0.00 0.00 179.24 177.77 2q4r h PHE 31 N 0.07 0.26 -0.60 4.55 3.57 -1.27 -2.19 116.94 121.34 2q4r h PHE 31 Ca 0.02 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 2q4r h PHE 31 Cb 0.12 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2q4r h PHE 31 CO 0.00 0.51 0.18 -0.07 -2.23 0.00 0.00 178.31 176.70 2q4r h LEU 32 N -0.07 0.87 -1.27 0.59 3.38 -1.72 0.13 115.31 117.23 2q4r h LEU 32 Ca 0.03 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2q4r h LEU 32 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2q4r h LEU 32 CO 0.01 0.85 -0.24 1.56 0.09 0.00 0.00 178.44 180.71 2q4r h GLN 33 N 0.85 0.18 -0.23 1.13 1.08 -1.35 0.32 115.11 117.10 2q4r h GLN 33 Ca 0.19 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 2q4r h GLN 33 Cb 0.30 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2q4r h GLN 33 CO -0.00 0.42 -0.24 -0.22 -0.95 0.00 0.00 178.83 177.84 2q4r h LYS 34 N 0.17 0.56 -0.71 1.46 3.64 -0.89 -3.04 116.57 117.77 2q4r h LYS 34 Ca 0.03 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 2q4r h LYS 34 Cb 0.53 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2q4r h LYS 34 CO 0.04 0.89 0.25 1.25 -2.27 0.00 0.00 179.45 179.62 2q4r h LEU 35 N 0.26 1.01 -2.86 5.20 5.85 -0.11 -2.29 115.31 122.37 2q4r h LEU 35 Ca 0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2q4r h LEU 35 Cb 0.80 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2q4r h LEU 35 CO 0.06 0.93 0.04 -0.09 -0.34 0.00 0.00 178.44 179.04 2q4r h ARG 36 N 1.03 0.00 -0.60 1.25 2.43 -0.32 -2.43 114.38 115.74 2q4r h ARG 36 Ca 0.23 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 2q4r h ARG 36 Cb 0.26 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2q4r h ARG 36 CO -0.01 0.00 0.32 1.96 -1.51 0.00 0.00 179.97 180.72 2q4r h GLN 37 N 0.00 0.58 0.00 0.20 1.08 -1.30 -3.33 115.11 112.34 2q4r h GLN 37 Ca 0.00 -0.03 -0.39 0.00 -1.45 0.00 0.00 58.65 56.78 2q4r h GLN 37 Cb 0.09 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.33 2q4r h GLN 37 CO -0.00 0.38 -2.12 0.36 -0.95 0.00 0.00 178.83 176.50 2q4r n LYS 38 N -4.83 0.59 -4.59 1.46 0.00 -0.96 -4.96 118.16 104.86 2q4r n LYS 38 Ca 0.07 0.36 -0.33 0.00 -0.00 0.00 0.00 58.31 58.40 2q4r n LYS 38 Cb 0.16 -1.58 -0.11 0.00 -0.00 0.00 0.00 35.03 33.50 2q4r n LYS 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2q4r s ILE 39 N -2.46 3.65 0.76 0.58 2.07 -0.97 -4.98 121.20 119.84 2q4r s ILE 39 Ca -0.35 -0.57 -0.11 0.00 -1.41 0.00 0.00 60.65 58.21 2q4r s ILE 39 Cb 0.12 -2.52 0.05 0.00 0.13 0.00 0.00 42.46 40.24 2q4r s ILE 39 CO 0.54 0.54 1.08 -0.54 -1.91 0.00 0.00 174.94 174.65 2q4r s LYS 40 N -0.97 2.40 0.09 3.50 1.02 -1.21 -3.56 119.74 121.01 2q4r s LYS 40 Ca 0.14 1.05 0.02 0.00 0.02 0.00 0.00 55.97 57.20 2q4r s LYS 40 Cb -0.11 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2q4r s LYS 40 CO 0.03 -1.51 -0.07 0.96 -0.92 0.00 0.00 175.35 173.85 2q4r s ILE 41 N -2.96 0.67 0.14 2.17 -4.36 -1.26 -1.94 121.20 113.67 2q4r s ILE 41 Ca 0.60 -1.89 -0.16 0.00 -0.26 0.00 0.00 60.65 58.94 2q4r s ILE 41 Cb -0.16 -1.63 0.03 0.00 1.25 0.00 0.00 42.46 41.95 2q4r s ILE 41 CO 0.56 -0.85 0.42 -0.83 0.24 0.00 0.00 174.94 174.47 2q4r s GLY 42 N -2.97 -0.17 0.02 6.27 0.00 0.13 -0.36 107.32 110.24 2q4r s GLY 42 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.70 2q4r s GLY 42 CO -0.05 -0.34 -0.10 -1.34 0.00 0.00 0.00 173.10 171.27 2q4r s VAL 43 N -3.83 0.77 0.03 1.40 -7.23 -0.39 -0.45 120.40 110.69 2q4r s VAL 43 Ca 0.05 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2q4r s VAL 43 Cb 0.01 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2q4r s VAL 43 CO -0.09 -0.04 -0.04 0.54 -0.31 0.00 0.00 175.10 175.16 2q4r s VAL 44 N -0.73 0.25 -0.09 1.32 0.11 0.11 0.19 120.40 121.56 2q4r s VAL 44 Ca -0.01 -1.01 -0.32 0.00 -2.93 0.00 0.00 61.98 57.72 2q4r s VAL 44 Cb -0.07 -0.43 0.12 0.00 -1.53 0.00 0.00 36.38 34.48 2q4r s VAL 44 CO 0.00 -0.49 1.07 -0.83 -3.33 0.00 0.00 175.10 171.52 2q4r s GLY 45 N -1.57 -0.37 0.21 6.54 0.00 -0.71 -1.12 107.32 110.30 2q4r s GLY 45 Ca -0.13 1.23 0.26 0.00 0.00 0.00 0.00 44.72 46.08 2q4r s GLY 45 CO -0.01 0.40 1.77 0.61 0.00 0.00 0.00 173.10 175.87 2q4r n GLY 46 N -0.20 -1.61 3.83 0.20 0.00 -1.26 -0.17 105.19 105.98 2q4r n GLY 46 Ca -0.04 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2q4r n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q4r s SER 47 N -4.43 2.55 0.42 1.61 0.01 -1.26 -3.74 113.70 108.87 2q4r s SER 47 Ca 0.09 0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.77 2q4r s SER 47 Cb 0.12 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 2q4r s SER 47 CO 0.55 -3.09 0.66 1.51 0.41 0.00 0.00 173.24 173.27 2q4r s ASP 48 N -4.56 6.06 0.25 2.44 1.47 -1.26 0.21 116.67 121.28 2q4r s ASP 48 Ca 0.72 0.47 -0.03 0.00 1.18 0.00 0.00 52.55 54.90 2q4r s ASP 48 Cb -0.06 -1.84 0.49 0.00 -0.34 0.00 0.00 42.92 41.17 2q4r s ASP 48 CO 0.54 -0.55 1.73 0.15 0.68 0.00 0.00 175.17 177.72 2q4r h PHE 49 N 0.47 0.56 -0.50 2.11 3.57 -1.97 0.28 116.94 121.46 2q4r h PHE 49 Ca -0.48 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.08 2q4r h PHE 49 Cb 1.23 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 2q4r h PHE 49 CO 0.50 0.07 0.30 0.93 -2.23 0.00 0.00 178.31 177.87 2q4r h GLU 50 N 0.46 0.58 -0.63 1.11 3.07 -1.98 0.82 114.58 118.01 2q4r h GLU 50 Ca 0.44 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.18 2q4r h GLU 50 Cb 0.67 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2q4r h GLU 50 CO -0.41 0.38 0.07 -0.22 -1.40 0.00 0.00 179.01 177.44 2q4r h LYS 51 N 0.60 1.05 -0.64 2.33 1.63 -1.33 -1.56 116.57 118.64 2q4r h LYS 51 Ca 0.20 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 2q4r h LYS 51 Cb 0.02 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 2q4r h LYS 51 CO -0.09 0.98 0.12 0.28 -3.45 0.00 0.00 179.45 177.29 2q4r h VAL 52 N 0.98 1.26 -0.74 2.00 2.07 0.43 -2.25 116.25 119.99 2q4r h VAL 52 Ca 0.19 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.77 2q4r h VAL 52 Cb 0.46 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2q4r h VAL 52 CO 0.02 0.37 0.44 1.56 0.02 0.00 0.00 177.57 179.98 2q4r h GLN 53 N 0.97 0.79 -0.75 1.57 4.20 0.11 0.22 115.11 122.22 2q4r h GLN 53 Ca 0.20 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.91 2q4r h GLN 53 Cb 0.41 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2q4r h GLN 53 CO 0.01 0.52 0.46 0.93 -0.67 0.00 0.00 178.83 180.08 2q4r h GLU 54 N 0.82 0.83 0.02 1.46 5.08 -0.74 0.64 114.58 122.69 2q4r h GLU 54 Ca 0.32 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2q4r h GLU 54 Cb 0.16 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2q4r h GLU 54 CO -0.17 0.55 -0.01 1.96 -1.00 0.00 0.00 179.01 180.34 2q4r h GLN 55 N 0.86 -0.03 -0.09 2.33 4.20 -0.85 -3.39 115.11 118.14 2q4r h GLN 55 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2q4r h GLN 55 Cb 0.12 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2q4r h GLN 55 CO -0.15 0.71 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 2q4r n LEU 56 N -4.71 3.01 0.00 1.46 4.77 0.70 0.31 117.00 122.53 2q4r n LEU 56 Ca -0.09 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2q4r n LEU 56 Cb 0.37 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2q4r n LEU 56 CO 0.30 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2q4r n GLY 57 N 1.32 2.51 0.29 -0.72 0.00 0.22 -4.58 105.19 104.24 2q4r n GLY 57 Ca 0.14 -1.77 0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.49 1.61 2.35 -1.91 -2.29 115.58 114.85 2q4r h ASN 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q4r h ASN 58 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2q4r h ASN 58 CO 0.00 0.01 0.00 -0.90 -1.65 0.00 0.00 177.43 174.89 2q4r n ASP 59 N -3.11 4.98 -0.33 5.81 5.75 -1.26 -4.67 116.55 123.73 2q4r n ASP 59 Ca -0.00 -2.77 0.25 0.00 -0.01 0.00 0.00 54.79 52.26 2q4r n ASP 59 Cb 0.25 -0.65 0.48 0.00 -1.03 0.00 0.00 41.12 40.17 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 3.38 0.15 0.00 2.12 3.04 -1.65 0.48 116.25 123.77 2q4r h VAL 60 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2q4r h VAL 60 Cb 1.74 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 2q4r h VAL 60 CO 0.41 0.03 0.00 1.33 -1.01 0.00 0.00 177.57 178.33 2q4r n VAL 61 N -5.20 1.52 -0.03 1.51 0.24 -1.26 -1.59 118.33 113.52 2q4r n VAL 61 Ca 0.32 0.43 0.07 0.00 -2.04 0.00 0.00 64.34 63.12 2q4r n VAL 61 Cb 1.05 -1.34 -0.17 0.00 -1.47 0.00 0.00 33.84 31.91 2q4r n VAL 61 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2q4r n GLU 62 N -1.62 0.67 0.12 7.34 1.02 0.17 -3.78 120.64 124.55 2q4r n GLU 62 Ca 0.01 -0.16 0.07 0.00 -0.02 0.00 0.00 57.16 57.06 2q4r n GLU 62 Cb 0.07 -1.52 0.02 0.00 -0.02 0.00 0.00 31.44 29.99 2q4r n GLU 62 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2q4r h LYS 63 N 0.00 0.00 -6.19 3.49 1.79 -1.21 -3.46 116.57 110.99 2q4r h LYS 63 Ca -0.11 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.77 2q4r h LYS 63 Cb 1.25 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.65 2q4r h LYS 63 CO 0.01 0.17 -0.84 0.71 -1.08 0.00 0.00 179.45 178.41 2q4r s TYR 64 N -3.15 1.87 0.25 -1.35 2.02 -1.03 -4.84 117.35 111.13 2q4r s TYR 64 Ca 0.01 -0.39 0.14 0.00 -0.37 0.00 0.00 57.07 56.47 2q4r s TYR 64 Cb 0.08 -1.10 0.56 0.00 -0.40 0.00 0.00 41.96 41.10 2q4r s TYR 64 CO 0.76 0.13 1.70 -0.44 -1.57 0.00 0.00 175.55 176.13 2q4r h ASP 65 N 4.68 0.00 -4.15 2.29 3.32 -1.02 -3.42 116.42 118.12 2q4r h ASP 65 Ca -0.44 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.28 2q4r h ASP 65 Cb 1.16 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.45 2q4r h ASP 65 CO 0.43 0.48 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.36 2q4r s TYR 66 N -3.70 0.60 -0.07 4.55 2.02 -0.74 -2.27 117.35 117.76 2q4r s TYR 66 Ca -0.01 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2q4r s TYR 66 Cb 0.12 -0.38 0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2q4r s TYR 66 CO 0.72 -0.02 -0.00 0.08 -1.57 0.00 0.00 175.55 174.76 2q4r s VAL 67 N -0.47 0.37 -0.59 0.71 1.01 0.07 -1.26 120.40 120.25 2q4r s VAL 67 Ca -0.01 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2q4r s VAL 67 Cb -0.04 -0.52 0.20 0.00 0.00 0.00 0.00 36.38 36.02 2q4r s VAL 67 CO -0.00 0.25 0.53 0.49 0.00 0.00 0.00 175.10 176.37 2q4r n PHE 68 N 5.03 1.99 -1.47 5.22 3.72 0.50 -0.71 117.46 131.74 2q4r n PHE 68 Ca -0.09 -3.96 -0.30 0.00 -0.05 0.00 0.00 57.45 53.04 2q4r n PHE 68 Cb 0.50 -0.38 0.09 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 -1.37 2.22 -1.54 -1.08 0.02 -1.02 -1.74 135.00 130.48 2q4r s PRO 69 Ca 0.32 0.82 -0.11 0.00 0.02 0.00 0.00 61.00 62.04 2q4r s PRO 69 Cb 0.05 -1.92 0.08 0.00 0.02 0.00 0.00 34.50 32.74 2q4r s PRO 69 CO -0.13 -1.57 0.78 0.39 -0.33 0.00 0.00 177.00 176.14 2q4r n GLU 70 N -3.42 -4.24 -3.90 5.54 1.02 0.13 -1.88 120.64 113.88 2q4r n GLU 70 Ca 0.07 0.49 -0.25 0.00 -0.02 0.00 0.00 57.16 57.45 2q4r n GLU 70 Cb 0.55 -5.14 -0.01 0.00 -0.02 0.00 0.00 31.44 26.82 2q4r n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4r n ASN 71 N -2.83 -0.61 0.00 1.62 3.02 0.76 -0.73 115.26 116.49 2q4r n ASN 71 Ca -0.05 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2q4r n ASN 71 Cb 0.56 -3.25 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 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 -1.90 2.19 0.02 7.41 0.00 -0.79 -3.42 105.19 108.69 2q4r n GLY 72 Ca -0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.76 2q4r n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4r n LEU 73 N 0.00 0.07 -3.74 0.99 4.77 0.09 -3.71 117.00 115.47 2q4r n LEU 73 Ca 0.00 0.52 -0.25 0.00 -0.03 0.00 0.00 56.01 56.25 2q4r n LEU 73 Cb 0.00 -0.52 -0.17 0.00 -2.33 0.00 0.00 43.42 40.40 2q4r n LEU 73 CO 0.00 -0.42 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.58 2q4r s VAL 74 N -3.05 0.39 0.06 4.08 1.01 -1.09 -3.64 120.40 118.16 2q4r s VAL 74 Ca 0.03 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.93 2q4r s VAL 74 Cb 0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2q4r s VAL 74 CO 0.15 0.02 -0.25 0.00 0.00 0.00 0.00 175.10 175.03 2q4r s ALA 75 N 1.94 2.10 0.00 5.51 0.00 -1.24 -2.44 121.76 127.64 2q4r s ALA 75 Ca 0.02 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2q4r s ALA 75 Cb -0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2q4r s ALA 75 CO -0.07 0.49 -0.01 0.71 0.00 0.00 0.00 175.76 176.88 2q4r s TYR 76 N -0.85 0.12 -0.19 0.00 2.02 0.11 -1.90 117.35 116.66 2q4r s TYR 76 Ca 0.10 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 2q4r s TYR 76 Cb -0.10 -0.08 0.09 0.00 -0.40 0.00 0.00 41.96 41.48 2q4r s TYR 76 CO 0.03 -0.03 0.38 0.21 -1.57 0.00 0.00 175.55 174.56 2q4r s LYS 77 N -0.25 0.29 0.00 -0.62 2.20 -1.22 -0.75 119.74 119.38 2q4r s LYS 77 Ca -0.02 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 2q4r s LYS 77 Cb -0.02 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2q4r s LYS 77 CO -0.00 -0.33 0.00 -0.25 -0.36 0.00 0.00 175.35 174.40 2q4r n ASP 78 N 5.38 -3.00 0.00 1.43 10.43 -0.96 -2.62 116.55 127.21 2q4r n ASP 78 Ca -0.07 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.29 2q4r n ASP 78 Cb 0.50 -2.02 0.00 0.00 1.84 0.00 0.00 41.12 41.44 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 -1.11 0.59 3.71 0.44 0.00 -1.25 -4.99 105.19 102.58 2q4r n GLY 79 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2q4r n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4r s LYS 80 N -0.71 3.69 -0.52 1.61 1.02 -1.08 -5.02 119.74 118.73 2q4r s LYS 80 Ca 0.00 -0.30 -0.26 0.00 0.02 0.00 0.00 55.97 55.43 2q4r s LYS 80 Cb 0.00 -3.15 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 2q4r s LYS 80 CO 0.00 0.47 2.31 -1.17 -0.92 0.00 0.00 175.35 176.04 2q4r s LEU 81 N -0.18 3.37 0.10 3.17 2.96 -1.26 -3.41 118.68 123.43 2q4r s LEU 81 Ca 0.08 0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 54.60 2q4r s LEU 81 Cb -0.12 -2.51 -0.12 0.00 0.50 0.00 0.00 46.19 43.94 2q4r s LEU 81 CO 0.01 -2.82 1.62 0.25 -1.32 0.00 0.00 176.35 174.09 2q4r h LEU 82 N 19.13 -0.88 -7.46 -0.68 5.85 -1.75 -3.48 115.31 126.03 2q4r h LEU 82 Ca -0.24 0.08 0.39 0.00 0.84 0.00 0.00 57.88 58.96 2q4r h LEU 82 Cb 1.24 0.30 -0.11 0.00 0.37 0.00 0.00 40.66 42.46 2q4r h LEU 82 CO 1.17 -0.45 0.98 0.00 -0.34 0.00 0.00 178.44 179.80 2q4r s ARG 84 N -2.04 1.84 -0.29 0.00 0.52 -1.26 -3.86 118.95 113.85 2q4r s ARG 84 Ca 0.23 -2.08 -0.16 0.00 -0.52 0.00 0.00 55.73 53.19 2q4r s ARG 84 Cb 0.04 -0.93 0.18 0.00 0.52 0.00 0.00 34.95 34.76 2q4r s ARG 84 CO -0.05 -0.30 1.11 -1.14 0.02 0.00 0.00 175.30 174.95 2q4r s GLN 85 N -3.82 0.22 0.18 3.54 2.00 -1.24 -5.04 119.66 115.50 2q4r s GLN 85 Ca 0.28 0.39 0.06 0.00 -2.00 0.00 0.00 55.36 54.08 2q4r s GLN 85 Cb 0.06 0.06 -0.05 0.00 0.80 0.00 0.00 33.01 33.89 2q4r s GLN 85 CO 0.14 -0.05 -0.10 0.54 -0.50 0.00 0.00 175.29 175.32 2q4r s ASN 86 N 1.29 2.09 0.45 6.67 2.20 -1.26 -4.70 114.94 121.68 2q4r s ASN 86 Ca -0.08 -1.05 0.16 0.00 -0.94 0.00 0.00 52.86 50.95 2q4r s ASN 86 Cb -0.03 -0.06 1.09 0.00 -2.00 0.00 0.00 41.25 40.26 2q4r s ASN 86 CO -0.13 -0.30 1.99 -0.29 -2.94 0.00 0.00 177.10 175.43 2q4r h ILE 87 N 2.65 0.87 0.00 0.54 2.10 0.86 -1.37 117.51 123.17 2q4r h ILE 87 Ca -0.37 -0.11 -0.14 0.00 1.08 0.00 0.00 64.86 65.32 2q4r h ILE 87 Cb 1.21 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.43 2q4r h ILE 87 CO 0.63 0.06 -0.65 0.06 -1.08 0.00 0.00 178.15 177.17 2q4r h GLN 88 N 0.33 0.00 0.02 2.19 -0.00 -1.89 -0.70 115.11 115.06 2q4r h GLN 88 Ca 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.86 2q4r h GLN 88 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.08 2q4r h GLN 88 CO -0.06 0.65 -0.22 0.77 -0.00 0.00 0.00 178.83 179.97 2q4r h SER 89 N 0.00 0.15 -0.07 0.06 0.02 -1.69 0.77 113.55 112.78 2q4r h SER 89 Ca -0.01 -0.88 -0.01 0.00 -0.84 0.00 0.00 61.79 60.05 2q4r h SER 89 Cb 1.44 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 2q4r h SER 89 CO 0.08 1.02 0.01 -0.74 -1.14 0.00 0.00 176.83 176.07 2q4r h HIS 90 N -0.69 0.13 0.00 3.45 -0.00 -1.37 -3.25 115.15 113.41 2q4r h HIS 90 Ca -0.03 -0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.17 2q4r h HIS 90 Cb 1.07 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.42 2q4r h HIS 90 CO 0.22 0.33 -1.05 -0.07 -0.00 0.00 0.00 177.93 177.36 2q4r h LEU 91 N -0.12 0.00 0.00 0.26 3.38 -1.25 -3.51 115.31 114.08 2q4r h LEU 91 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2q4r h LEU 91 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2q4r h LEU 91 CO 0.00 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2q4r n GLY 92 N 1.33 -0.54 0.29 0.83 0.00 0.26 -4.42 105.19 102.95 2q4r n GLY 92 Ca -0.05 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.16 -0.49 1.61 4.39 -1.85 0.19 114.58 118.27 2q4r h GLU 93 Ca 0.00 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.85 2q4r h GLU 93 Cb 0.00 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2q4r h GLU 93 CO 0.00 -0.11 0.60 0.00 -1.16 0.00 0.00 179.01 178.34 2q4r h ALA 94 N -0.31 2.22 0.15 3.43 0.00 -1.92 0.99 119.26 123.81 2q4r h ALA 94 Ca 0.07 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 2q4r h ALA 94 Cb 0.35 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2q4r h ALA 94 CO -0.47 -0.85 -1.27 1.25 0.00 0.00 0.00 179.25 177.90 2q4r h LEU 95 N 0.00 0.49 -0.21 0.00 5.85 -0.90 -2.72 115.31 117.81 2q4r h LEU 95 Ca 0.23 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2q4r h LEU 95 Cb 1.42 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2q4r h LEU 95 CO -0.00 1.40 0.00 0.40 -0.34 0.00 0.00 178.44 179.91 2q4r h ILE 96 N 0.09 1.25 0.00 4.05 1.08 0.22 -2.81 117.51 121.39 2q4r h ILE 96 Ca -0.15 -0.87 -0.03 0.00 -0.39 0.00 0.00 64.86 63.41 2q4r h ILE 96 Cb 2.00 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 37.15 2q4r h ILE 96 CO 0.21 0.27 -0.17 1.56 -0.69 0.00 0.00 178.15 179.34 2q4r h GLN 97 N 0.14 0.00 -0.18 2.37 4.20 -0.90 0.11 115.11 120.86 2q4r h GLN 97 Ca 0.06 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2q4r h GLN 97 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2q4r h GLN 97 CO 0.01 0.17 -0.29 -0.44 -0.67 0.00 0.00 178.83 177.61 2q4r h ASP 98 N 0.00 0.56 -0.29 1.46 3.45 -1.32 0.84 116.42 121.12 2q4r h ASP 98 Ca -0.00 -0.53 -0.08 0.00 0.43 0.00 0.00 57.03 56.85 2q4r h ASP 98 Cb 0.48 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 2q4r h ASP 98 CO 0.02 0.98 -0.11 -0.07 -1.57 0.00 0.00 179.24 178.49 2q4r h LEU 99 N 0.16 0.60 0.70 1.55 3.38 -1.22 -2.25 115.31 118.23 2q4r h LEU 99 Ca 0.01 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 2q4r h LEU 99 Cb 0.87 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2q4r h LEU 99 CO 0.07 0.86 -0.34 0.40 0.09 0.00 0.00 178.44 179.52 2q4r h ILE 100 N 0.34 0.26 -0.46 1.22 2.04 -0.80 -1.62 117.51 118.49 2q4r h ILE 100 Ca 0.07 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2q4r h ILE 100 Cb 0.62 0.30 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 2q4r h ILE 100 CO 0.04 0.01 -0.45 0.78 0.00 0.00 0.00 178.15 178.53 2q4r h ASN 101 N -1.03 -1.50 -0.07 1.72 2.35 -0.87 -0.36 115.58 115.81 2q4r h ASN 101 Ca -0.10 0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 2q4r h ASN 101 Cb 0.74 0.66 -0.06 0.00 0.05 0.00 0.00 38.32 39.72 2q4r h ASN 101 CO 0.16 -0.36 -0.31 0.22 -1.65 0.00 0.00 177.43 175.49 2q4r h TYR 102 N -0.30 -0.85 -0.69 1.19 3.20 -1.37 -1.89 116.97 116.26 2q4r h TYR 102 Ca 0.14 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2q4r h TYR 102 Cb 0.58 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 2q4r h TYR 102 CO -0.66 -0.39 0.45 0.00 -1.64 0.00 0.00 178.16 175.92 2q4r h LEU 104 N 0.80 -0.11 -0.93 0.00 3.38 -0.49 0.58 115.31 118.54 2q4r h LEU 104 Ca 0.28 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2q4r h LEU 104 Cb 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2q4r h LEU 104 CO -0.08 0.08 -0.50 0.28 0.09 0.00 0.00 178.44 178.31 2q4r h SER 105 N -0.29 0.09 -0.15 -0.43 0.02 -1.05 -2.39 113.55 109.35 2q4r h SER 105 Ca -0.01 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 2q4r h SER 105 Cb 0.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2q4r h SER 105 CO 0.02 0.57 -0.33 0.22 -1.14 0.00 0.00 176.83 176.17 2q4r h TYR 106 N 0.06 0.63 -0.40 3.45 -0.00 -0.73 -3.26 116.97 116.73 2q4r h TYR 106 Ca -0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 58.73 58.45 2q4r h TYR 106 Cb 0.91 -0.11 -0.02 0.00 -0.00 0.00 0.00 36.73 37.51 2q4r h TYR 106 CO 0.01 0.96 0.04 0.82 -0.00 0.00 0.00 178.16 179.98 2q4r h ILE 107 N 0.12 1.20 0.00 1.81 2.04 -0.79 -2.03 117.51 119.87 2q4r h ILE 107 Ca 0.00 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.07 2q4r h ILE 107 Cb 0.93 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2q4r h ILE 107 CO 0.07 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.50 2q4r h ALA 108 N 1.46 1.00 -1.18 1.87 0.00 -1.47 -2.94 119.26 118.00 2q4r h ALA 108 Ca 0.13 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.30 2q4r h ALA 108 Cb 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.80 2q4r h ALA 108 CO 0.01 0.00 0.68 1.63 0.00 0.00 0.00 179.25 181.57 2q4r n LYS 109 N -2.34 3.26 -3.39 0.00 5.02 -0.76 -4.84 118.16 115.12 2q4r n LYS 109 Ca 0.00 -3.91 -0.17 0.00 -2.02 0.00 0.00 58.31 52.21 2q4r n LYS 109 Cb 0.14 -2.29 -0.09 0.00 -0.02 0.00 0.00 35.03 32.77 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 -5.04 -0.36 0.11 -0.18 1.01 -1.11 -5.05 121.20 110.58 2q4r s ILE 110 Ca 0.49 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 60.12 2q4r s ILE 110 Cb 0.39 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.90 2q4r s ILE 110 CO -0.33 -0.53 1.46 -0.54 0.00 0.00 0.00 174.94 175.01 2q4r s LYS 111 N 1.98 4.28 0.23 2.79 -0.14 -1.26 -5.01 119.74 122.61 2q4r s LYS 111 Ca 0.12 2.16 0.00 0.00 -1.36 0.00 0.00 55.97 56.90 2q4r s LYS 111 Cb -0.15 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 2q4r s LYS 111 CO -0.21 -0.52 0.10 -0.51 -0.76 0.00 0.00 175.35 173.45 2q4r s LEU 112 N 1.38 1.53 0.50 3.17 1.43 -1.26 -5.04 118.68 120.39 2q4r s LEU 112 Ca 0.67 -1.36 0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2q4r s LEU 112 Cb -0.38 0.14 1.03 0.00 0.03 0.00 0.00 46.19 47.01 2q4r s LEU 112 CO 0.30 -0.75 1.86 1.55 0.23 0.00 0.00 176.35 179.54 2q4r h PRO 113 N 2.51 0.00 -2.31 1.29 0.13 -2.01 -3.45 132.00 128.16 2q4r h PRO 113 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 2q4r h PRO 113 Cb 1.24 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 2q4r h PRO 113 CO 0.58 0.04 0.02 0.15 -0.23 0.00 0.00 178.00 178.56 2q4r s LYS 114 N -3.54 0.83 -0.06 0.86 1.02 -1.26 -5.16 119.74 112.44 2q4r s LYS 114 Ca 0.03 0.43 -0.04 0.00 0.02 0.00 0.00 55.97 56.41 2q4r s LYS 114 Cb 0.08 0.39 0.02 0.00 -0.52 0.00 0.00 37.83 37.81 2q4r s LYS 114 CO 0.59 -0.19 0.14 0.15 -0.92 0.00 0.00 175.35 175.12 2q4r s LYS 115 N -0.55 0.13 0.00 1.68 1.02 -1.26 -4.94 119.74 115.83 2q4r s LYS 115 Ca -0.07 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.18 2q4r s LYS 115 Cb -0.03 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 2q4r s LYS 115 CO 0.05 -0.07 0.00 0.54 -0.92 0.00 0.00 175.35 174.95 2q4r n ARG 116 N 3.43 0.00 -2.93 1.68 5.12 -1.25 -5.12 116.66 117.59 2q4r n ARG 116 Ca -0.17 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.67 2q4r n ARG 116 Cb 0.56 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.86 2q4r n ARG 116 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2q4r n GLY 117 N 3.37 1.96 3.63 -0.13 0.00 -1.26 -4.97 105.19 107.79 2q4r n GLY 117 Ca 0.00 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 2q4r n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q4r n THR 118 N -0.35 -5.67 0.36 2.61 -1.04 -1.26 0.12 114.28 109.05 2q4r n THR 118 Ca -0.02 -0.81 0.14 0.00 -2.04 0.00 0.00 64.05 61.32 2q4r n THR 118 Cb 0.37 -4.37 0.55 0.00 -1.82 0.00 0.00 70.33 65.06 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 -1.74 0.00 -3.12 -1.42 0.04 -1.82 -2.77 116.94 106.10 2q4r h PHE 119 Ca -0.63 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 59.83 2q4r h PHE 119 Cb 1.35 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 39.14 2q4r h PHE 119 CO 0.39 0.00 -0.66 0.42 -0.60 0.00 0.00 178.31 177.87 2q4r s ILE 120 N -3.43 -0.23 -0.02 -0.55 1.01 -1.26 -2.73 121.20 113.98 2q4r s ILE 120 Ca 0.04 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.06 2q4r s ILE 120 Cb 0.09 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.25 2q4r s ILE 120 CO 0.48 0.14 -0.05 -0.70 0.00 0.00 0.00 174.94 174.81 2q4r s GLU 121 N 2.27 2.67 -0.29 2.79 2.12 0.63 -5.02 118.70 123.88 2q4r s GLU 121 Ca 0.04 -0.64 -0.02 0.00 0.36 0.00 0.00 54.97 54.71 2q4r s GLU 121 Cb -0.12 -2.57 0.04 0.00 0.26 0.00 0.00 34.13 31.74 2q4r s GLU 121 CO -0.05 0.63 -0.01 0.12 -0.54 0.00 0.00 175.26 175.40 2q4r s PHE 122 N -0.95 3.20 0.21 5.30 5.36 -1.26 -1.97 117.98 127.87 2q4r s PHE 122 Ca 0.16 -1.73 0.05 0.00 -0.96 0.00 0.00 56.93 54.45 2q4r s PHE 122 Cb -0.11 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 2q4r s PHE 122 CO 0.06 -0.77 0.21 1.03 -1.46 0.00 0.00 175.22 174.29 2q4r s ARG 123 N 1.29 3.07 0.11 10.12 1.81 -1.26 -5.01 118.95 129.08 2q4r s ARG 123 Ca -0.03 -0.88 -0.32 0.00 -1.72 0.00 0.00 55.73 52.78 2q4r s ARG 123 Cb -0.19 -2.70 -0.12 0.00 -0.45 0.00 0.00 34.95 31.49 2q4r s ARG 123 CO -0.02 0.45 1.52 -0.91 -0.68 0.00 0.00 175.30 175.66 2q4r h ASN 124 N 1.85 -1.61 -1.82 0.23 2.35 -1.99 -3.42 115.58 111.17 2q4r h ASN 124 Ca -0.49 0.19 -0.70 0.00 -0.55 0.00 0.00 56.30 54.75 2q4r h ASN 124 Cb 1.22 0.62 -0.33 0.00 0.05 0.00 0.00 38.32 39.88 2q4r h ASN 124 CO 0.63 -0.46 0.33 0.61 -1.65 0.00 0.00 177.43 176.89 2q4r n GLY 125 N -1.41 5.73 2.83 2.83 0.00 -1.26 0.14 105.19 114.05 2q4r n GLY 125 Ca -0.06 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.06 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 -3.86 2.62 -0.59 0.99 1.43 0.11 -4.64 118.68 114.74 2q4r s LEU 127 Ca 0.50 -1.51 -0.26 0.00 -1.03 0.00 0.00 54.13 51.84 2q4r s LEU 127 Cb 0.42 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.63 2q4r s LEU 127 CO -0.32 -0.35 1.06 0.21 0.23 0.00 0.00 176.35 177.18 2q4r s ASN 128 N 1.47 6.33 0.00 2.29 3.84 -0.83 -1.46 114.94 126.58 2q4r s ASN 128 Ca 0.05 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.82 2q4r s ASN 128 Cb -0.18 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 2q4r s ASN 128 CO -0.15 -1.40 0.00 0.52 -2.79 0.00 0.00 177.10 173.27 2q4r n VAL 129 N 6.33 0.00 0.00 -5.21 0.31 -0.80 -0.26 118.33 118.70 2q4r n VAL 129 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2q4r n VAL 129 Cb 0.48 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2q4r n VAL 129 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2q4r n SER 130 N 0.00 0.00 0.30 4.52 2.88 -1.10 -3.95 113.62 116.27 2q4r n SER 130 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 2q4r n SER 130 Cb 0.00 0.00 1.02 0.00 -0.75 0.00 0.00 64.21 64.48 2q4r n SER 130 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2q4r h PRO 131 N 0.00 0.00 0.00 -1.46 0.11 -1.82 -2.84 132.00 125.99 2q4r h PRO 131 Ca 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.75 2q4r h PRO 131 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2q4r h PRO 131 CO 0.00 0.00 -2.32 1.51 -0.21 0.00 0.00 178.00 176.98 2q4r n ILE 132 N -3.31 1.43 0.00 4.15 3.06 -1.26 -4.90 119.36 118.53 2q4r n ILE 132 Ca -0.02 -0.82 0.00 0.00 -2.50 0.00 0.00 62.75 59.41 2q4r n ILE 132 Cb 0.19 -0.62 0.00 0.00 0.54 0.00 0.00 39.64 39.75 2q4r n ILE 132 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2q4r n GLY 133 N 1.78 0.52 0.00 4.50 0.00 -1.07 -3.78 105.19 107.13 2q4r n GLY 133 Ca -0.32 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2q4r n GLY 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2q4r n ARG 134 N 0.00 0.00 -0.19 1.61 0.63 0.12 -4.33 116.66 114.51 2q4r n ARG 134 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 2q4r n ARG 134 Cb 0.00 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.12 2q4r n ARG 134 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2q4r n SER 135 N -0.14 2.10 -4.38 6.15 3.41 -1.21 -4.96 113.62 114.59 2q4r n SER 135 Ca 0.00 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.26 2q4r n SER 135 Cb 0.00 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2q4r n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q4r n SER 137 N 1.43 -0.42 0.05 0.00 3.41 -1.26 -4.68 113.62 112.14 2q4r n SER 137 Ca 0.10 -0.29 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 2q4r n SER 137 Cb 0.46 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 2q4r n SER 137 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2q4r h GLN 138 N 0.00 -0.21 -0.20 4.33 -0.00 -1.99 -2.04 115.11 115.00 2q4r h GLN 138 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.56 2q4r h GLN 138 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 2q4r h GLN 138 CO 0.00 0.18 -0.34 0.93 0.00 0.00 0.00 178.83 179.60 2q4r h GLU 139 N -0.93 0.41 -0.45 1.69 3.07 -2.00 -2.70 114.58 113.67 2q4r h GLU 139 Ca -0.02 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 58.61 2q4r h GLU 139 Cb 0.49 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 2q4r h GLU 139 CO 0.04 0.70 0.10 0.93 -1.40 0.00 0.00 179.01 179.37 2q4r h GLU 140 N 0.35 0.72 -0.11 2.33 5.08 -1.91 -1.06 114.58 119.98 2q4r h GLU 140 Ca 0.04 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2q4r h GLU 140 Cb 0.77 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2q4r h GLU 140 CO 0.06 0.73 0.05 -0.09 -1.00 0.00 0.00 179.01 178.76 2q4r h ARG 141 N 0.60 0.16 -0.53 2.33 2.43 -1.22 -0.90 114.38 117.25 2q4r h ARG 141 Ca 0.14 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2q4r h ARG 141 Cb 0.34 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2q4r h ARG 141 CO 0.00 0.23 0.21 0.82 -1.51 0.00 0.00 179.97 179.73 2q4r h ILE 142 N 0.06 1.22 0.16 1.20 1.08 -1.43 0.15 117.51 119.94 2q4r h ILE 142 Ca 0.04 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 2q4r h ILE 142 Cb 0.12 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 2q4r h ILE 142 CO -0.00 0.26 -0.31 -0.08 -0.69 0.00 0.00 178.15 177.32 2q4r h GLU 143 N 0.72 -0.49 -0.74 2.37 4.81 -1.05 0.16 114.58 120.37 2q4r h GLU 143 Ca 0.18 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.55 2q4r h GLU 143 Cb 0.20 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 2q4r h GLU 143 CO -0.01 -0.32 0.49 0.35 -0.73 0.00 0.00 179.01 178.78 2q4r h PHE 144 N -0.50 0.61 -0.19 0.92 3.57 -1.05 -0.56 116.94 119.74 2q4r h PHE 144 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2q4r h PHE 144 Cb 0.48 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2q4r h PHE 144 CO -0.31 0.27 0.05 -0.92 -2.23 0.00 0.00 178.31 175.18 2q4r h TYR 145 N 0.56 0.32 -0.17 0.41 3.20 0.29 0.23 116.97 121.81 2q4r h TYR 145 Ca 0.35 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 2q4r h TYR 145 Cb 0.60 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2q4r h TYR 145 CO -0.00 0.41 -0.12 1.05 -1.64 0.00 0.00 178.16 177.86 2q4r h GLU 146 N 0.13 0.27 -0.30 1.82 4.11 0.01 -1.88 114.58 118.74 2q4r h GLU 146 Ca 0.06 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2q4r h GLU 146 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2q4r h GLU 146 CO -0.00 0.41 -0.40 1.25 0.07 0.00 0.00 179.01 180.33 2q4r h LEU 147 N 0.26 0.77 0.00 3.06 5.85 -0.67 -2.60 115.31 121.99 2q4r h LEU 147 Ca 0.05 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2q4r h LEU 147 Cb 0.38 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2q4r h LEU 147 CO 0.02 1.08 0.00 -0.67 -0.34 0.00 0.00 178.44 178.53 2q4r n ASP 148 N -4.04 0.00 0.52 1.25 2.03 0.78 -2.58 116.55 114.51 2q4r n ASP 148 Ca -0.02 0.21 -0.20 0.00 0.52 0.00 0.00 54.79 55.30 2q4r n ASP 148 Cb 0.53 -0.39 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 2q4r n ASP 148 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2q4r h LYS 149 N 0.00 -1.27 0.00 -0.67 1.79 -0.95 0.12 116.57 115.58 2q4r h LYS 149 Ca 0.00 0.09 -0.22 0.00 -2.18 0.00 0.00 60.65 58.33 2q4r h LYS 149 Cb 0.34 0.29 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 2q4r h LYS 149 CO 0.00 -0.85 -1.23 0.87 -1.08 0.00 0.00 179.45 177.16 2q4r h LYS 150 N -1.32 0.00 0.06 3.15 1.57 -1.70 -3.36 116.57 114.97 2q4r h LYS 150 Ca -0.13 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.38 2q4r h LYS 150 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.34 2q4r h LYS 150 CO 0.22 0.72 -1.09 0.93 -0.57 0.00 0.00 179.45 179.65 2q4r h GLU 151 N 0.00 0.50 -6.36 3.15 4.39 -1.56 -3.48 114.58 111.22 2q4r h GLU 151 Ca -0.12 -0.61 -0.48 0.00 0.34 0.00 0.00 59.36 58.49 2q4r h GLU 151 Cb 1.80 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 30.59 2q4r h GLU 151 CO 0.10 1.24 -0.78 0.09 -1.16 0.00 0.00 179.01 178.49 2q4r n ASN 152 N -3.74 -4.04 -0.36 1.42 4.13 0.40 -4.86 115.26 108.22 2q4r n ASN 152 Ca -0.10 -0.83 0.07 0.00 1.68 0.00 0.00 54.58 55.40 2q4r n ASN 152 Cb 0.92 -3.70 0.23 0.00 -1.54 0.00 0.00 39.78 35.69 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 -1.97 0.93 -0.12 2.41 1.08 -1.91 -2.40 117.51 115.52 2q4r h ILE 153 Ca -0.59 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 2q4r h ILE 153 Cb 1.38 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2q4r h ILE 153 CO 0.68 0.18 0.04 0.03 -0.69 0.00 0.00 178.15 178.38 2q4r h ARG 154 N 1.00 0.19 0.00 2.37 3.08 -1.90 -2.62 114.38 116.50 2q4r h ARG 154 Ca 0.49 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.47 2q4r h ARG 154 Cb 0.47 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2q4r h ARG 154 CO -0.26 0.34 -0.14 0.37 -1.07 0.00 0.00 179.97 179.21 2q4r h GLN 155 N 0.01 0.00 -0.47 0.04 4.15 -1.87 0.23 115.11 117.20 2q4r h GLN 155 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 2q4r h GLN 155 Cb 0.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2q4r h GLN 155 CO -0.00 0.14 0.01 -0.22 -1.93 0.00 0.00 178.83 176.83 2q4r h LYS 156 N 0.00 0.77 0.13 1.69 3.64 -1.15 -2.75 116.57 118.91 2q4r h LYS 156 Ca -0.00 -0.20 -0.31 0.00 -1.27 0.00 0.00 60.65 58.87 2q4r h LYS 156 Cb 0.26 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2q4r h LYS 156 CO 0.02 0.77 -1.62 0.35 -2.27 0.00 0.00 179.45 176.70 2q4r h PHE 157 N 0.73 0.50 0.00 1.91 3.04 -0.98 -3.25 116.94 118.88 2q4r h PHE 157 Ca 0.14 -0.37 0.00 0.00 3.98 0.00 0.00 57.97 61.73 2q4r h PHE 157 Cb 0.43 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.92 2q4r h PHE 157 CO 0.02 1.64 0.00 0.28 -2.02 0.00 0.00 178.31 178.23 2q4r n VAL 158 N -3.77 0.39 -0.11 1.41 0.31 0.74 -1.72 118.33 115.57 2q4r n VAL 158 Ca -0.27 0.10 -0.19 0.00 -0.01 0.00 0.00 64.34 63.97 2q4r n VAL 158 Cb 0.97 -1.01 -0.10 0.00 -0.91 0.00 0.00 33.84 32.79 2q4r n VAL 158 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q4r n ALA 159 N -1.12 1.50 0.03 3.52 0.00 -1.04 -3.99 120.51 119.40 2q4r n ALA 159 Ca 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 53.44 52.50 2q4r n ALA 159 Cb 0.03 0.05 0.25 0.00 0.00 0.00 0.00 19.45 19.77 2q4r n ALA 159 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2q4r h ASP 160 N -0.26 0.43 -0.45 0.00 3.32 -1.40 -2.60 116.42 115.46 2q4r h ASP 160 Ca -0.53 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.34 2q4r h ASP 160 Cb 1.70 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.12 2q4r h ASP 160 CO -0.17 0.64 0.10 -0.07 -1.72 0.00 0.00 179.24 178.02 2q4r h LEU 161 N 0.40 0.69 -2.27 1.55 3.38 -1.56 -0.91 115.31 116.59 2q4r h LEU 161 Ca 0.07 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2q4r h LEU 161 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2q4r h LEU 161 CO 0.04 0.75 0.14 -0.09 0.09 0.00 0.00 178.44 179.36 2q4r h ARG 162 N 0.59 0.00 0.00 1.13 2.43 -1.60 -1.32 114.38 115.61 2q4r h ARG 162 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2q4r h ARG 162 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2q4r h ARG 162 CO 0.00 0.00 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.23 2q4r h LYS 163 N 0.00 0.00 0.00 0.20 3.64 -1.00 -1.43 116.57 117.98 2q4r h LYS 163 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2q4r h LYS 163 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2q4r h LYS 163 CO -0.00 0.00 0.31 1.49 -2.27 0.00 0.00 179.45 178.98 2q4r h GLU 164 N -0.11 0.00 0.00 1.90 4.57 -1.20 0.19 114.58 119.93 2q4r h GLU 164 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2q4r h GLU 164 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2q4r h GLU 164 CO 0.00 0.00 -0.11 1.19 -1.18 0.00 0.00 179.01 178.91 2q4r n PHE 165 N -2.29 0.00 -1.67 0.92 3.72 -0.50 -5.05 117.46 112.59 2q4r n PHE 165 Ca -0.01 -0.57 -0.45 0.00 -0.05 0.00 0.00 57.45 56.37 2q4r n PHE 165 Cb 0.34 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 2q4r n PHE 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4r n ALA 166 N -0.77 1.21 0.00 4.37 0.00 0.68 -2.18 120.51 123.82 2q4r n ALA 166 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2q4r n ALA 166 Cb 0.55 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.42 2q4r n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q4r n GLY 167 N 4.48 0.82 1.40 0.00 0.00 -1.26 -4.97 105.19 105.66 2q4r n GLY 167 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.57 3.47 -3.41 1.61 4.76 -0.93 -4.90 118.16 117.19 2q4r n LYS 168 Ca 0.00 -2.27 -0.24 0.00 -2.87 0.00 0.00 58.31 52.93 2q4r n LYS 168 Cb 0.00 -1.89 0.06 0.00 -1.84 0.00 0.00 35.03 31.36 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 0.74 -0.54 3.58 0.72 0.00 -1.26 -4.92 105.19 103.51 2q4r n GLY 169 Ca 0.20 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 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 -7.10 3.23 -0.04 0.99 1.43 -1.26 -0.26 118.68 115.67 2q4r s LEU 170 Ca 0.49 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 2q4r s LEU 170 Cb -0.22 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2q4r s LEU 170 CO 0.61 0.32 -0.18 -0.89 0.23 0.00 0.00 176.35 176.45 2q4r s THR 171 N -0.58 2.77 0.34 5.49 2.01 0.86 -4.83 115.64 121.70 2q4r s THR 171 Ca 0.09 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.33 2q4r s THR 171 Cb -0.12 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2q4r s THR 171 CO 0.02 0.59 0.30 -0.36 -0.69 0.00 0.00 174.62 174.47 2q4r s PHE 172 N -0.64 2.88 -0.30 4.92 0.08 -1.26 -1.83 117.98 121.83 2q4r s PHE 172 Ca 0.10 -0.32 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 2q4r s PHE 172 Cb -0.11 -1.82 0.16 0.00 -0.57 0.00 0.00 43.02 40.69 2q4r s PHE 172 CO 0.00 0.17 0.82 0.45 -0.10 0.00 0.00 175.22 176.56 2q4r s SER 173 N -4.00 -0.90 -0.22 1.36 0.15 -0.29 -4.98 113.70 104.82 2q4r s SER 173 Ca 0.41 0.94 -0.17 0.00 0.70 0.00 0.00 55.95 57.83 2q4r s SER 173 Cb -0.05 1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 66.13 2q4r s SER 173 CO 0.27 -0.17 0.47 -0.63 1.20 0.00 0.00 173.24 174.38 2q4r s ILE 174 N 2.75 5.13 0.10 6.45 1.01 -1.26 -0.15 121.20 135.23 2q4r s ILE 174 Ca 0.02 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 2q4r s ILE 174 Cb -0.10 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2q4r s ILE 174 CO -0.18 0.18 0.15 -0.83 0.00 0.00 0.00 174.94 174.26 2q4r s GLY 175 N 1.25 0.30 0.00 6.18 0.00 -1.19 -5.00 107.32 108.86 2q4r s GLY 175 Ca 0.21 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2q4r s GLY 175 CO 0.09 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.85 2q4r n GLY 176 N -0.06 0.46 0.01 0.20 0.00 -1.26 -4.09 105.19 100.45 2q4r n GLY 176 Ca -0.13 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 0.88 0.00 1.61 6.02 -1.26 -4.84 117.38 119.79 2q4r n GLN 177 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2q4r n GLN 177 Cb 0.00 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.85 0.00 -4.53 5.09 -0.00 -1.26 -4.29 119.36 112.51 2q4r n ILE 178 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.48 2q4r n ILE 178 Cb 0.35 -0.17 -0.10 0.00 -0.00 0.00 0.00 39.64 39.71 2q4r n ILE 178 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2q4r s SER 179 N -1.52 3.75 -0.03 7.28 1.04 -1.26 -4.60 113.70 118.37 2q4r s SER 179 Ca 0.00 -1.18 -0.01 0.00 0.48 0.00 0.00 55.95 55.24 2q4r s SER 179 Cb 0.00 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.79 2q4r s SER 179 CO 0.00 -0.20 0.06 0.72 0.98 0.00 0.00 173.24 174.80 2q4r s PHE 180 N -2.60 -0.03 0.35 5.02 -0.12 -1.25 -3.18 117.98 116.17 2q4r s PHE 180 Ca 0.33 0.20 -0.18 0.00 -0.05 0.00 0.00 56.93 57.22 2q4r s PHE 180 Cb 0.02 -0.15 -0.10 0.00 -0.63 0.00 0.00 43.02 42.17 2q4r s PHE 180 CO 0.17 -0.09 0.82 -0.51 -0.05 0.00 0.00 175.22 175.55 2q4r s ASP 181 N 0.86 6.90 0.01 1.98 1.01 0.79 -1.90 116.67 126.32 2q4r s ASP 181 Ca -0.07 1.47 0.06 0.00 0.71 0.00 0.00 52.55 54.71 2q4r s ASP 181 Cb -0.10 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2q4r s ASP 181 CO -0.03 -0.22 -0.17 -0.69 0.21 0.00 0.00 175.17 174.27 2q4r s VAL 182 N -1.97 1.34 -0.17 -1.27 1.01 -0.54 -1.14 120.40 117.66 2q4r s VAL 182 Ca 0.55 -0.88 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 2q4r s VAL 182 Cb -0.11 -1.15 0.14 0.00 0.00 0.00 0.00 36.38 35.26 2q4r s VAL 182 CO 0.17 0.25 1.14 0.72 0.00 0.00 0.00 175.10 177.37 2q4r s PHE 183 N -0.59 -0.20 0.68 5.22 -0.12 -0.76 0.09 117.98 122.30 2q4r s PHE 183 Ca 0.05 0.23 -0.17 0.00 -0.05 0.00 0.00 56.93 56.99 2q4r s PHE 183 Cb -0.07 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.82 2q4r s PHE 183 CO 0.00 -0.26 1.25 -2.30 -0.05 0.00 0.00 175.22 173.86 2q4r n PRO 184 N 0.19 0.91 -1.69 1.99 -0.02 -1.26 -0.10 135.00 135.02 2q4r n PRO 184 Ca -0.04 0.37 -0.44 0.00 -2.02 0.00 0.00 63.50 61.37 2q4r n PRO 184 Cb 0.59 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.10 3.30 0.00 2.55 8.00 0.64 -1.96 116.55 126.99 2q4r n ASP 185 Ca 0.15 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.76 2q4r n ASP 185 Cb 0.48 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 186 N 2.95 0.96 1.90 0.44 0.00 -1.26 -4.93 105.19 105.25 2q4r n GLY 186 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.01 0.00 -2.92 1.61 7.02 -0.83 -3.43 117.44 116.88 2q4r n TRP 187 Ca 0.00 -1.33 0.00 0.00 -1.02 0.00 0.00 57.50 55.15 2q4r n TRP 187 Cb 0.00 -1.31 0.00 0.00 -2.42 0.00 0.00 31.31 27.58 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 2.29 1.30 0.28 -0.99 5.75 -1.26 -4.93 116.55 118.98 2q4r n ASP 188 Ca 0.32 -0.27 0.18 0.00 -0.01 0.00 0.00 54.79 55.01 2q4r n ASP 188 Cb 0.79 0.00 0.95 0.00 -1.03 0.00 0.00 41.12 41.83 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 0.00 0.11 1.57 -1.85 -0.94 116.57 115.46 2q4r h LYS 189 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2q4r h LYS 189 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2q4r h LYS 189 CO 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2q4r h ARG 190 N 0.00 0.00 -0.90 3.15 3.08 -1.89 -2.67 114.38 115.15 2q4r h ARG 190 Ca 0.04 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.19 2q4r h ARG 190 Cb 0.35 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 2q4r h ARG 190 CO -0.00 0.00 0.58 -0.92 -1.07 0.00 0.00 179.97 178.56 2q4r h TYR 191 N 0.00 0.97 -0.10 3.04 3.20 -1.19 -2.10 116.97 120.79 2q4r h TYR 191 Ca -0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2q4r h TYR 191 Cb 0.01 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 2q4r h TYR 191 CO 0.00 0.44 -0.22 0.00 -1.64 0.00 0.00 178.16 176.74 2q4r h LEU 193 N 0.16 0.00 -0.19 0.00 3.38 -1.55 0.57 115.31 117.68 2q4r h LEU 193 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2q4r h LEU 193 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2q4r h LEU 193 CO 0.03 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.45 2q4r n ARG 194 N -3.66 0.04 -0.04 1.13 1.85 -1.14 -1.39 116.66 113.46 2q4r n ARG 194 Ca 0.15 0.33 0.11 0.00 -1.00 0.00 0.00 57.85 57.44 2q4r n ARG 194 Cb 0.99 -1.59 0.11 0.00 -1.05 0.00 0.00 32.46 30.92 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 -1.67 0.09 0.00 2.89 8.25 0.20 -4.48 115.22 120.50 2q4r n HIS 195 Ca 0.03 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2q4r n HIS 195 Cb 0.15 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 1.26 0.00 1.29 1.59 0.24 -0.48 -4.77 118.33 117.46 2q4r n VAL 196 Ca 0.14 -0.33 0.03 0.00 -2.04 0.00 0.00 64.34 62.14 2q4r n VAL 196 Cb 0.55 0.95 0.09 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.73 1.51 -0.11 7.34 0.28 -0.85 -3.81 120.64 124.27 2q4r n GLU 197 Ca 0.00 -0.70 0.01 0.00 -0.16 0.00 0.00 57.16 56.31 2q4r n GLU 197 Cb 0.00 -1.21 0.01 0.00 1.43 0.00 0.00 31.44 31.67 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 0.07 0.71 -1.26 -1.84 3.02 -1.26 -4.77 115.26 109.93 2q4r n ASN 198 Ca 0.06 -1.65 0.08 0.00 -0.03 0.00 0.00 54.58 53.05 2q4r n ASN 198 Cb 0.20 -0.08 0.30 0.00 -0.61 0.00 0.00 39.78 39.58 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 -0.27 4.23 -0.28 6.41 8.00 -1.25 -4.97 116.55 128.43 2q4r n ASP 199 Ca 0.02 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.05 2q4r n ASP 199 Cb 0.50 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.68 0.72 3.68 0.44 0.00 -1.26 -5.05 105.19 104.39 2q4r n GLY 200 Ca 0.22 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.56 3.39 0.10 1.61 2.02 -1.26 -4.42 117.35 116.24 2q4r s TYR 201 Ca 0.00 0.65 0.09 0.00 -0.37 0.00 0.00 57.07 57.43 2q4r s TYR 201 Cb 0.00 -2.52 -0.10 0.00 -0.40 0.00 0.00 41.96 38.94 2q4r s TYR 201 CO 0.00 0.03 1.34 0.87 -1.57 0.00 0.00 175.55 176.22 2q4r h LYS 202 N 7.25 0.00 -4.29 -0.62 6.56 -0.56 -3.45 116.57 121.47 2q4r h LYS 202 Ca -0.37 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 58.85 2q4r h LYS 202 Cb 1.16 0.00 -0.31 0.00 -0.57 0.00 0.00 32.23 32.52 2q4r h LYS 202 CO 0.73 0.89 -0.77 0.99 -2.06 0.00 0.00 179.45 179.23 2q4r s THR 203 N -2.85 0.52 -0.27 -0.16 2.01 -1.23 -5.03 115.64 108.64 2q4r s THR 203 Ca 0.01 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2q4r s THR 203 Cb 0.10 -0.49 0.08 0.00 0.01 0.00 0.00 72.50 72.20 2q4r s THR 203 CO 0.80 0.18 0.01 -0.63 -0.69 0.00 0.00 174.62 174.29 2q4r s ILE 204 N 0.27 1.42 0.37 1.82 1.01 -1.26 -1.95 121.20 122.88 2q4r s ILE 204 Ca -0.03 -1.41 -0.15 0.00 0.00 0.00 0.00 60.65 59.06 2q4r s ILE 204 Cb -0.07 -1.86 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 2q4r s ILE 204 CO -0.00 -0.34 0.79 -0.31 0.00 0.00 0.00 174.94 175.08 2q4r s TYR 205 N 1.40 3.39 -0.03 3.97 2.02 0.06 -4.18 117.35 123.99 2q4r s TYR 205 Ca 0.01 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.97 2q4r s TYR 205 Cb -0.18 -2.57 0.01 0.00 -0.40 0.00 0.00 41.96 38.82 2q4r s TYR 205 CO -0.11 -0.02 -0.05 0.12 -1.57 0.00 0.00 175.55 173.92 2q4r s PHE 206 N -2.15 0.65 -0.13 2.71 5.36 -1.26 -0.83 117.98 122.33 2q4r s PHE 206 Ca 0.55 -0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 56.36 2q4r s PHE 206 Cb -0.10 -0.52 0.03 0.00 -0.34 0.00 0.00 43.02 42.08 2q4r s PHE 206 CO 0.21 -0.10 -0.10 -0.06 -1.46 0.00 0.00 175.22 173.71 2q4r s PHE 207 N 0.44 1.73 -0.89 10.12 0.08 0.42 -1.11 117.98 128.76 2q4r s PHE 207 Ca -0.06 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.07 2q4r s PHE 207 Cb -0.09 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 2q4r s PHE 207 CO -0.00 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 174.96 2q4r n GLY 208 N 4.88 -0.78 3.68 4.36 0.00 -1.21 0.10 105.19 116.22 2q4r n GLY 208 Ca -0.14 -0.32 -0.40 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 6.74 0.03 1.61 -0.00 -1.26 -2.60 116.67 117.18 2q4r s ASP 209 Ca 0.00 0.89 0.24 0.00 -0.00 0.00 0.00 52.55 53.68 2q4r s ASP 209 Cb 0.00 -2.35 0.26 0.00 -0.00 0.00 0.00 42.92 40.83 2q4r s ASP 209 CO 0.00 -0.20 1.23 2.29 -0.00 0.00 0.00 175.17 178.49 2q4r n LYS 210 N 4.61 0.11 -4.10 8.23 2.85 -1.26 -4.58 118.16 124.02 2q4r n LYS 210 Ca -0.02 0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.16 2q4r n LYS 210 Cb 0.50 -1.54 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 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 -3.07 0.12 0.00 0.58 2.01 -1.26 -0.64 115.64 113.39 2q4r s THR 211 Ca 0.08 -1.79 0.00 0.00 0.31 0.00 0.00 61.69 60.29 2q4r s THR 211 Cb 0.16 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.80 2q4r s THR 211 CO 0.75 -0.57 0.00 0.59 -0.69 0.00 0.00 174.62 174.71 2q4r n ASN 216 N -0.06 0.00 -3.26 3.53 3.02 -1.26 -4.81 115.26 112.42 2q4r n ASN 216 Ca -0.08 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.50 2q4r n ASN 216 Cb 0.63 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.77 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2q4r s ASP 217 N -3.85 -0.42 -0.28 6.41 -1.08 -1.26 -5.12 116.67 111.07 2q4r s ASP 217 Ca 0.00 0.45 -0.29 0.00 -0.52 0.00 0.00 52.55 52.19 2q4r s ASP 217 Cb 0.00 1.43 -0.00 0.00 -1.46 0.00 0.00 42.92 42.88 2q4r s ASP 217 CO 0.00 -0.08 1.34 -1.00 0.52 0.00 0.00 175.17 175.96 2q4r s HIS 218 N 2.53 2.61 0.26 -5.34 3.76 0.19 -4.92 115.29 114.38 2q4r s HIS 218 Ca -0.01 0.83 -0.03 0.00 -0.15 0.00 0.00 55.06 55.69 2q4r s HIS 218 Cb -0.06 -3.90 0.39 0.00 1.11 0.00 0.00 32.58 30.12 2q4r s HIS 218 CO -0.15 -1.89 1.87 0.93 -0.85 0.00 0.00 174.74 174.65 2q4r h GLU 219 N 9.45 1.06 -0.04 1.40 3.07 -1.93 -1.61 114.58 125.98 2q4r h GLU 219 Ca -0.27 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.51 2q4r h GLU 219 Cb 1.11 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2q4r h GLU 219 CO 1.03 0.70 -0.05 0.97 -1.40 0.00 0.00 179.01 180.25 2q4r h ILE 220 N 1.09 1.07 0.00 3.13 2.10 -1.91 0.38 117.51 123.37 2q4r h ILE 220 Ca 0.42 -0.29 -0.04 0.00 1.08 0.00 0.00 64.86 66.02 2q4r h ILE 220 Cb 0.19 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.01 2q4r h ILE 220 CO -0.18 0.09 -0.21 0.15 -1.08 0.00 0.00 178.15 176.92 2q4r h PHE 221 N 0.05 0.00 0.00 2.19 3.57 -1.62 -3.24 116.94 117.89 2q4r h PHE 221 Ca 0.01 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 2q4r h PHE 221 Cb 0.14 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2q4r h PHE 221 CO 0.00 0.21 -1.97 0.25 -2.23 0.00 0.00 178.31 174.57 2q4r n THR 222 N -3.48 0.64 -1.47 4.41 -2.24 -0.04 -4.17 114.28 107.93 2q4r n THR 222 Ca -0.01 -0.56 -0.51 0.00 -2.27 0.00 0.00 64.05 60.70 2q4r n THR 222 Cb 0.38 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 2q4r n THR 222 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2q4r n ASP 223 N -2.39 -0.24 0.23 3.42 -0.08 0.11 -4.79 116.55 112.81 2q4r n ASP 223 Ca -0.17 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.44 2q4r n ASP 223 Cb 0.78 -1.01 0.85 0.00 2.34 0.00 0.00 41.12 44.08 2q4r n ASP 223 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2q4r h PRO 224 N 2.09 0.00 0.00 -0.67 0.13 -1.91 -2.40 132.00 129.24 2q4r h PRO 224 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2q4r h PRO 224 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2q4r h PRO 224 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 2q4r h ARG 225 N 0.00 0.00 0.00 0.86 -0.00 -1.94 -3.52 114.38 109.78 2q4r h ARG 225 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 2q4r h ARG 225 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.59 2q4r h ARG 225 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.97 180.22 2q4r n THR 226 N -2.63 0.00 -3.69 2.04 -2.24 -0.91 -4.13 114.28 102.72 2q4r n THR 226 Ca 0.04 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 2q4r n THR 226 Cb 0.44 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.40 -0.36 3.38 0.00 -1.26 -4.90 107.32 103.78 2q4r s GLY 228 Ca 0.00 1.58 0.02 0.00 0.00 0.00 0.00 44.72 46.32 2q4r s GLY 228 CO 0.00 1.47 0.32 -0.19 0.00 0.00 0.00 173.10 174.70 2q4r s TYR 229 N 0.65 -0.05 -0.02 1.90 2.02 -0.27 -4.94 117.35 116.64 2q4r s TYR 229 Ca -0.03 -0.97 -0.30 0.00 -0.37 0.00 0.00 57.07 55.40 2q4r s TYR 229 Cb -0.05 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 2q4r s TYR 229 CO -0.04 -0.93 1.04 -1.54 -1.57 0.00 0.00 175.55 172.51 2q4r s SER 230 N 1.44 7.26 0.26 2.29 1.04 -1.26 -3.35 113.70 121.38 2q4r s SER 230 Ca 0.16 1.70 0.10 0.00 0.48 0.00 0.00 55.95 58.39 2q4r s SER 230 Cb -0.17 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 2q4r s SER 230 CO -0.06 -0.37 -0.03 0.68 0.98 0.00 0.00 173.24 174.44 2q4r s VAL 231 N 1.39 3.32 -1.25 5.02 -7.23 -1.07 -4.92 120.40 115.66 2q4r s VAL 231 Ca 0.53 -1.96 0.23 0.00 -1.81 0.00 0.00 61.98 58.97 2q4r s VAL 231 Cb -0.22 -2.77 -0.08 0.00 0.56 0.00 0.00 36.38 33.88 2q4r s VAL 231 CO 0.25 -0.36 1.14 0.35 -0.31 0.00 0.00 175.10 176.17 2q4r n THR 232 N -0.81 0.00 0.00 5.32 -2.24 -1.26 -4.75 114.28 110.54 2q4r n THR 232 Ca -0.06 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2q4r n THR 232 Cb 0.59 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.17 0.00 0.10 6.98 0.00 -1.25 -4.98 120.51 120.19 2q4r n ALA 233 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2q4r n ALA 233 Cb 0.36 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.39 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 0.18 0.00 0.00 0.11 -1.53 -1.48 132.00 129.28 2q4r h PRO 234 Ca 0.00 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2q4r h PRO 234 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 2q4r h PRO 234 CO 0.00 0.12 -0.33 0.93 -0.21 0.00 0.00 178.00 178.52 2q4r h GLU 235 N 0.19 0.00 0.03 1.05 3.07 -1.93 -2.52 114.58 114.47 2q4r h GLU 235 Ca 0.13 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.81 2q4r h GLU 235 Cb 0.28 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2q4r h GLU 235 CO -0.02 0.33 -0.73 -0.44 -1.40 0.00 0.00 179.01 176.75 2q4r h ASP 236 N 0.00 0.58 -0.97 1.42 5.19 -1.65 -2.24 116.42 118.76 2q4r h ASP 236 Ca -0.00 -0.80 0.19 0.00 -0.62 0.00 0.00 57.03 55.80 2q4r h ASP 236 Cb 0.62 -0.18 -0.09 0.00 0.18 0.00 0.00 39.33 39.86 2q4r h ASP 236 CO 0.04 1.31 0.61 0.74 -3.12 0.00 0.00 179.24 178.82 2q4r h THR 237 N -0.07 0.72 0.01 0.35 2.02 -1.13 0.16 112.91 114.96 2q4r h THR 237 Ca -0.10 -0.22 -0.20 0.00 0.77 0.00 0.00 66.41 66.65 2q4r h THR 237 Cb 1.45 0.01 0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2q4r h THR 237 CO 0.14 0.12 -0.80 0.03 0.37 0.00 0.00 175.52 175.38 2q4r h ARG 238 N 0.65 0.53 -0.36 6.66 3.08 -1.44 -1.14 114.38 122.36 2q4r h ARG 238 Ca 0.53 -0.58 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2q4r h ARG 238 Cb 0.96 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2q4r h ARG 238 CO -0.29 1.20 0.16 -0.09 -1.07 0.00 0.00 179.97 179.89 2q4r h ARG 239 N 0.10 0.33 -0.28 0.04 2.43 -0.65 0.40 114.38 116.75 2q4r h ARG 239 Ca -0.10 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 2q4r h ARG 239 Cb 1.49 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 2q4r h ARG 239 CO 0.16 0.22 -0.17 0.82 -1.51 0.00 0.00 179.97 179.49 2q4r h ILE 240 N 0.34 1.30 -0.35 1.20 2.04 -1.07 0.10 117.51 121.07 2q4r h ILE 240 Ca 0.16 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 2q4r h ILE 240 Cb 0.09 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2q4r h ILE 240 CO -0.13 0.41 0.11 0.00 0.00 0.00 0.00 178.15 178.54 2q4r h GLU 242 N 0.50 0.63 -0.25 0.00 4.57 0.01 0.28 114.58 120.32 2q4r h GLU 242 Ca 0.12 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 2q4r h GLU 242 Cb 0.16 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2q4r h GLU 242 CO -0.01 0.98 0.11 1.25 -1.18 0.00 0.00 179.01 180.16 2q4r h LEU 243 N 0.34 0.34 0.35 1.64 5.85 0.04 -3.33 115.31 120.54 2q4r h LEU 243 Ca 0.03 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2q4r h LEU 243 Cb 0.90 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2q4r h LEU 243 CO 0.08 0.39 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.33 2q4r h LEU 244 N 0.26 -0.39-10.44 2.25 4.07 0.16 -3.47 115.31 107.75 2q4r h LEU 244 Ca 0.09 0.01 -0.42 0.00 0.08 0.00 0.00 57.88 57.64 2q4r h LEU 244 Cb 0.15 0.10 0.02 0.00 1.08 0.00 0.00 40.66 42.02 2q4r h LEU 244 CO -0.01 -0.01 -0.26 -0.36 -1.08 0.00 0.00 178.44 176.72 2q4r s PHE 245 N -3.09 2.82 0.00 1.13 0.08 0.97 -5.08 117.98 114.81 2q4r s PHE 245 Ca -0.07 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2q4r s PHE 245 Cb 0.01 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 2q4r s PHE 245 CO 0.20 -0.42 0.00 -1.13 -0.10 0.00 0.00 175.22 173.77