#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4r n GLY 5 N 0.00 -1.65 2.84 0.55 0.00 -1.26 -3.78 105.19 101.89 2q4r n GLY 5 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2q4r n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2q4r n PRO 6 N -3.56 0.00 -3.77 1.61 -0.02 -1.26 -4.59 135.00 123.40 2q4r n PRO 6 Ca -0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.33 2q4r n PRO 6 Cb 0.64 -1.22 -0.04 0.00 -0.02 0.00 0.00 33.50 32.85 2q4r n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4r n ALA 7 N 8.38 0.08 -2.43 3.55 0.00 -1.26 0.17 120.51 129.00 2q4r n ALA 7 Ca 0.53 -1.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.16 2q4r n ALA 7 Cb 0.02 1.23 -0.12 0.00 0.00 0.00 0.00 19.45 20.58 2q4r n ALA 7 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2q4r s LEU 8 N 0.00 2.46 -0.16 0.00 2.96 -0.89 -3.90 118.68 119.15 2q4r s LEU 8 Ca 0.29 -0.70 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2q4r s LEU 8 Cb 0.00 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.38 2q4r s LEU 8 CO 0.21 0.17 -0.20 0.00 -1.32 0.00 0.00 176.35 175.21 2q4r s LEU 10 N 1.17 2.26 0.02 0.00 1.43 -0.07 0.55 118.68 124.04 2q4r s LEU 10 Ca 0.01 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2q4r s LEU 10 Cb -0.14 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2q4r s LEU 10 CO -0.09 0.32 -0.14 -0.36 0.23 0.00 0.00 176.35 176.30 2q4r s PHE 11 N -0.57 1.23 0.41 0.29 0.08 -0.67 -0.44 117.98 118.32 2q4r s PHE 11 Ca 0.08 -0.30 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 2q4r s PHE 11 Cb -0.11 -0.76 -0.09 0.00 -0.57 0.00 0.00 43.02 41.50 2q4r s PHE 11 CO 0.00 0.01 1.05 0.34 -0.10 0.00 0.00 175.22 176.52 2q4r s ASP 12 N -0.80 6.70 0.00 1.36 3.68 0.31 0.73 116.67 128.65 2q4r s ASP 12 Ca 0.03 2.02 0.00 0.00 2.13 0.00 0.00 52.55 56.73 2q4r s ASP 12 Cb -0.07 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.82 2q4r s ASP 12 CO 0.01 -0.53 0.15 1.33 0.13 0.00 0.00 175.17 176.25 2q4r n VAL 13 N -0.21 0.00 -1.98 1.11 0.24 0.21 -3.58 118.33 114.12 2q4r n VAL 13 Ca 0.06 0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 62.26 2q4r n VAL 13 Cb 0.50 -0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.34 6.65 0.00 -1.34 2.15 -1.26 -1.44 116.67 120.09 2q4r s ASP 14 Ca 0.00 2.42 0.00 0.00 0.43 0.00 0.00 52.55 55.40 2q4r s ASP 14 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2q4r s ASP 14 CO 0.00 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 2q4r n GLY 15 N 3.92 3.02 0.13 2.66 0.00 -0.98 -4.80 105.19 109.15 2q4r n GLY 15 Ca 0.15 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 1.03 -0.01 2.61 2.02 -1.67 -2.53 112.91 114.36 2q4r h THR 16 Ca 0.00 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2q4r h THR 16 Cb 0.00 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2q4r h THR 16 CO 0.00 0.79 -0.40 0.18 0.37 0.00 0.00 175.52 176.45 2q4r n LEU 17 N -3.76 1.78 -3.80 2.58 4.77 -0.52 -2.81 117.00 115.23 2q4r n LEU 17 Ca -0.24 -0.76 -0.12 0.00 -0.03 0.00 0.00 56.01 54.86 2q4r n LEU 17 Cb 0.99 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.99 2q4r n LEU 17 CO 0.48 0.34 -0.07 0.42 -1.33 0.00 0.00 177.39 177.22 2q4r s THR 18 N -2.15 0.05 0.56 -5.08 -4.23 -1.23 -4.53 115.64 99.04 2q4r s THR 18 Ca 0.15 -0.42 -0.18 0.00 -1.18 0.00 0.00 61.69 60.06 2q4r s THR 18 Cb 0.15 -0.49 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 2q4r s THR 18 CO 0.48 -0.23 1.11 0.00 -0.54 0.00 0.00 174.62 175.44 2q4r s ALA 19 N -0.96 2.67 0.07 3.99 0.00 -1.26 -2.32 121.76 123.95 2q4r s ALA 19 Ca -0.10 0.72 -0.37 0.00 0.00 0.00 0.00 51.96 52.21 2q4r s ALA 19 Cb -0.05 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.55 2q4r s ALA 19 CO 0.02 -0.83 1.09 -2.30 0.00 0.00 0.00 175.76 173.74 2q4r n PRO 20 N -1.54 0.44 -2.00 0.00 -0.02 -1.26 -0.99 135.00 129.63 2q4r n PRO 20 Ca 0.11 0.16 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 2q4r n PRO 20 Cb 0.51 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.34 2q4r n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2q4r n ARG 21 N 1.72 -2.06 -4.34 -0.52 1.74 -1.26 -4.93 116.66 107.02 2q4r n ARG 21 Ca 0.19 0.35 -0.23 0.00 -0.77 0.00 0.00 57.85 57.38 2q4r n ARG 21 Cb 0.15 -4.75 -0.12 0.00 -1.02 0.00 0.00 32.46 26.72 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 -4.12 1.28 0.55 5.56 -0.21 -0.16 -5.14 119.66 117.42 2q4r s GLN 22 Ca 0.00 -1.36 -0.15 0.00 0.02 0.00 0.00 55.36 53.87 2q4r s GLN 22 Cb 0.00 -1.45 -0.06 0.00 1.00 0.00 0.00 33.01 32.49 2q4r s GLN 22 CO 0.00 0.31 1.00 0.21 -2.12 0.00 0.00 175.29 174.70 2q4r s LYS 23 N -2.50 3.79 0.31 2.91 2.20 -1.26 -4.26 119.74 120.93 2q4r s LYS 23 Ca 0.14 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 56.38 2q4r s LYS 23 Cb -0.07 -2.11 -0.11 0.00 -1.51 0.00 0.00 37.83 34.03 2q4r s LYS 23 CO 0.06 -0.40 1.52 -1.50 -0.36 0.00 0.00 175.35 174.67 2q4r s ILE 24 N -2.76 2.21 0.65 5.43 2.07 -1.25 -4.74 121.20 122.81 2q4r s ILE 24 Ca 0.58 0.18 -0.11 0.00 -1.41 0.00 0.00 60.65 59.90 2q4r s ILE 24 Cb -0.11 -3.12 -0.02 0.00 0.13 0.00 0.00 42.46 39.35 2q4r s ILE 24 CO 0.38 0.04 1.05 -0.89 -1.91 0.00 0.00 174.94 173.60 2q4r s THR 25 N -0.42 4.38 0.39 4.00 2.01 -1.26 -4.92 115.64 119.82 2q4r s THR 25 Ca 0.58 0.77 0.11 0.00 0.31 0.00 0.00 61.69 63.46 2q4r s THR 25 Cb -0.46 -3.68 0.32 0.00 0.01 0.00 0.00 72.50 68.70 2q4r s THR 25 CO 0.52 -1.01 1.93 0.50 -0.69 0.00 0.00 174.62 175.87 2q4r h LYS 26 N -0.49 0.57 0.00 4.92 3.11 -2.03 -2.68 116.57 119.97 2q4r h LYS 26 Ca -0.44 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2q4r h LYS 26 Cb 1.20 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2q4r h LYS 26 CO 0.60 0.38 0.00 -1.91 -2.81 0.00 0.00 179.45 175.71 2q4r n GLU 27 N -4.50 0.00 0.00 1.90 2.13 -1.26 -1.56 120.64 117.35 2q4r n GLU 27 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2q4r n GLU 27 Cb 0.39 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.22 2q4r n GLU 27 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2q4r n ASP 29 N 0.06 0.00 -0.24 4.31 10.43 -1.01 -1.93 116.55 128.17 2q4r n ASP 29 Ca 0.00 0.00 0.29 0.00 2.57 0.00 0.00 54.79 57.65 2q4r n ASP 29 Cb 0.00 0.00 0.70 0.00 1.84 0.00 0.00 41.12 43.66 2q4r n ASP 29 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2q4r h ASP 30 N 0.00 0.07 0.83 -2.24 3.32 -1.59 0.38 116.42 117.19 2q4r h ASP 30 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2q4r h ASP 30 Cb 0.00 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2q4r h ASP 30 CO 0.00 0.02 -0.40 0.15 -1.72 0.00 0.00 179.24 177.29 2q4r h PHE 31 N 0.06 -1.03 0.40 4.55 3.57 -1.60 -1.58 116.94 121.31 2q4r h PHE 31 Ca 0.49 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.94 2q4r h PHE 31 Cb 1.83 0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.91 2q4r h PHE 31 CO -0.00 -0.63 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.17 2q4r h LEU 32 N -1.20 -0.51 -1.87 0.59 3.38 -0.63 -0.04 115.31 115.03 2q4r h LEU 32 Ca -0.11 0.02 0.45 0.00 0.09 0.00 0.00 57.88 58.33 2q4r h LEU 32 Cb 0.86 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 2q4r h LEU 32 CO 0.19 -0.34 1.08 1.56 0.09 0.00 0.00 178.44 181.01 2q4r h GLN 33 N -0.56 0.03 0.43 1.13 1.08 -0.94 0.69 115.11 116.98 2q4r h GLN 33 Ca -0.05 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2q4r h GLN 33 Cb 0.43 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2q4r h GLN 33 CO 0.08 0.02 -0.21 -0.22 -0.95 0.00 0.00 178.83 177.55 2q4r h LYS 34 N 0.03 -0.56 -0.91 1.46 3.64 -0.76 -3.25 116.57 116.22 2q4r h LYS 34 Ca 0.76 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 60.39 2q4r h LYS 34 Cb 2.89 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 34.72 2q4r h LYS 34 CO -0.09 -0.29 0.45 1.25 -2.27 0.00 0.00 179.45 178.51 2q4r h LEU 35 N -1.06 0.45 -1.77 5.20 5.85 0.22 0.48 115.31 124.68 2q4r h LEU 35 Ca -0.06 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.97 2q4r h LEU 35 Cb 0.53 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2q4r h LEU 35 CO 0.10 0.07 0.50 -0.09 -0.34 0.00 0.00 178.44 178.68 2q4r h ARG 36 N 0.49 0.21 -1.40 1.25 2.43 -0.99 -1.35 114.38 115.01 2q4r h ARG 36 Ca 0.56 -0.01 0.46 0.00 -0.81 0.00 0.00 59.98 60.18 2q4r h ARG 36 Cb 1.02 -0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.39 2q4r h ARG 36 CO -0.48 0.14 0.92 1.96 -1.51 0.00 0.00 179.97 180.99 2q4r h GLN 37 N 0.21 0.05 0.01 0.20 1.08 -0.92 0.25 115.11 115.99 2q4r h GLN 37 Ca 0.36 -0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.26 2q4r h GLN 37 Cb 1.09 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.46 2q4r h GLN 37 CO -0.07 0.03 -1.68 0.87 -0.95 0.00 0.00 178.83 177.03 2q4r h LYS 38 N 0.05 0.03 -2.67 1.46 1.57 -1.43 -3.49 116.57 112.08 2q4r h LYS 38 Ca 0.85 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.52 2q4r h LYS 38 Cb 2.77 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 34.93 2q4r h LYS 38 CO -0.40 0.60 0.02 -1.50 -0.57 0.00 0.00 179.45 177.60 2q4r s ILE 39 N -2.60 0.03 0.83 1.86 2.07 0.90 -4.99 121.20 119.29 2q4r s ILE 39 Ca -0.06 -0.24 -0.12 0.00 -1.41 0.00 0.00 60.65 58.82 2q4r s ILE 39 Cb 0.08 -0.93 0.10 0.00 0.13 0.00 0.00 42.46 41.83 2q4r s ILE 39 CO 0.82 -0.13 1.17 -0.54 -1.91 0.00 0.00 174.94 174.35 2q4r s LYS 40 N -2.07 1.57 -0.02 3.50 1.02 -1.25 -4.21 119.74 118.27 2q4r s LYS 40 Ca -0.07 1.61 -0.00 0.00 0.02 0.00 0.00 55.97 57.52 2q4r s LYS 40 Cb -0.01 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.55 2q4r s LYS 40 CO 0.01 -2.24 0.04 0.96 -0.92 0.00 0.00 175.35 173.20 2q4r s ILE 41 N -2.40 -0.06 0.37 2.17 -4.36 -1.26 -2.45 121.20 113.21 2q4r s ILE 41 Ca 0.69 0.23 0.09 0.00 -0.26 0.00 0.00 60.65 61.40 2q4r s ILE 41 Cb -0.25 -0.09 -0.07 0.00 1.25 0.00 0.00 42.46 43.30 2q4r s ILE 41 CO 0.53 0.09 -0.06 -0.83 0.24 0.00 0.00 174.94 174.91 2q4r s GLY 42 N 1.13 2.30 0.02 6.27 0.00 0.19 -2.95 107.32 114.29 2q4r s GLY 42 Ca -0.08 -2.16 0.03 0.00 0.00 0.00 0.00 44.72 42.50 2q4r s GLY 42 CO -0.03 -2.05 -0.09 -1.34 0.00 0.00 0.00 173.10 169.59 2q4r s VAL 43 N -2.66 0.68 0.04 1.40 -7.23 -1.11 -1.67 120.40 109.87 2q4r s VAL 43 Ca 0.33 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 2q4r s VAL 43 Cb 0.05 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 2q4r s VAL 43 CO 0.17 -0.07 -0.05 0.54 -0.31 0.00 0.00 175.10 175.37 2q4r s VAL 44 N -0.75 0.38 -0.16 1.32 0.11 0.22 -2.49 120.40 119.03 2q4r s VAL 44 Ca -0.02 -1.25 -0.34 0.00 -2.93 0.00 0.00 61.98 57.44 2q4r s VAL 44 Cb -0.06 -0.78 0.13 0.00 -1.53 0.00 0.00 36.38 34.14 2q4r s VAL 44 CO 0.00 -0.57 1.16 -0.83 -3.33 0.00 0.00 175.10 171.53 2q4r s GLY 45 N -1.94 -0.32 0.32 6.54 0.00 -1.24 0.64 107.32 111.32 2q4r s GLY 45 Ca -0.06 1.52 0.26 0.00 0.00 0.00 0.00 44.72 46.43 2q4r s GLY 45 CO -0.02 0.51 1.75 -1.33 0.00 0.00 0.00 173.10 174.01 2q4r h GLY 46 N 2.00 0.00 -2.04 0.20 0.00 -1.95 -3.04 103.07 98.23 2q4r h GLY 46 Ca -0.11 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.67 2q4r h GLY 46 CO 0.24 0.00 0.49 -0.56 0.00 0.00 0.00 176.54 176.71 2q4r s SER 47 N -5.02 4.57 0.99 0.19 0.01 -1.26 -3.83 113.70 109.34 2q4r s SER 47 Ca 0.07 2.56 -0.16 0.00 1.31 0.00 0.00 55.95 59.73 2q4r s SER 47 Cb 0.10 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 63.91 2q4r s SER 47 CO 0.57 -2.03 1.26 1.51 0.41 0.00 0.00 173.24 174.96 2q4r s ASP 48 N -1.52 2.89 0.11 2.44 3.84 -1.26 -1.67 116.67 121.49 2q4r s ASP 48 Ca 0.81 0.43 -0.22 0.00 -0.00 0.00 0.00 52.55 53.56 2q4r s ASP 48 Cb -0.35 -0.59 -0.09 0.00 -1.38 0.00 0.00 42.92 40.51 2q4r s ASP 48 CO 0.40 -2.89 1.71 0.15 -0.00 0.00 0.00 175.17 174.54 2q4r h PHE 49 N -1.74 -0.13 -0.97 2.11 3.57 -1.95 0.19 116.94 118.01 2q4r h PHE 49 Ca -0.45 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.19 2q4r h PHE 49 Cb 1.26 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 2q4r h PHE 49 CO -1.09 -0.09 0.61 1.49 -2.23 0.00 0.00 178.31 177.01 2q4r h GLU 50 N -0.07 0.85 -0.09 1.11 4.81 -2.00 -1.63 114.58 117.57 2q4r h GLU 50 Ca 0.05 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2q4r h GLU 50 Cb 0.13 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2q4r h GLU 50 CO -0.10 0.57 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.44 2q4r h LYS 51 N 0.88 0.21 -0.86 1.92 1.63 -1.64 -2.60 116.57 116.12 2q4r h LYS 51 Ca 0.49 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 60.23 2q4r h LYS 51 Cb 0.61 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 2q4r h LYS 51 CO -0.26 0.63 0.56 0.28 -3.45 0.00 0.00 179.45 177.21 2q4r h VAL 52 N -0.20 1.10 0.15 2.00 2.07 -0.02 -1.85 116.25 119.50 2q4r h VAL 52 Ca 0.02 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2q4r h VAL 52 Cb 0.59 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2q4r h VAL 52 CO 0.02 0.18 -0.07 1.56 0.02 0.00 0.00 177.57 179.28 2q4r h GLN 53 N 1.01 -0.19 -0.82 1.57 4.20 -1.30 1.01 115.11 120.60 2q4r h GLN 53 Ca 0.36 0.01 0.20 0.00 0.06 0.00 0.00 58.65 59.27 2q4r h GLN 53 Cb 0.12 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 27.82 2q4r h GLN 53 CO -0.12 0.01 0.23 0.93 -0.67 0.00 0.00 178.83 179.20 2q4r h GLU 54 N -0.36 0.26 0.06 1.46 5.08 -1.01 2.82 114.58 122.90 2q4r h GLU 54 Ca -0.02 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2q4r h GLU 54 Cb 0.29 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.49 2q4r h GLU 54 CO 0.03 0.17 -0.63 1.96 -1.00 0.00 0.00 179.01 179.54 2q4r h GLN 55 N 0.27 0.32 -0.49 2.33 4.20 -0.99 -3.36 115.11 117.38 2q4r h GLN 55 Ca 0.49 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2q4r h GLN 55 Cb 0.90 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2q4r h GLN 55 CO -0.57 1.14 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 2q4r n LEU 56 N -4.22 3.41 0.00 1.46 4.77 0.35 -3.87 117.00 118.89 2q4r n LEU 56 Ca -0.12 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 2q4r n LEU 56 Cb 0.71 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2q4r n LEU 56 CO 0.46 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 2q4r n GLY 57 N 1.21 0.21 0.36 -0.72 0.00 0.94 -4.15 105.19 103.04 2q4r n GLY 57 Ca 0.18 -1.43 0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 1.24 1.61 2.35 -1.91 0.43 115.58 119.30 2q4r h ASN 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q4r h ASN 58 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2q4r h ASN 58 CO 0.00 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 174.88 2q4r n ASP 59 N -3.35 0.43 0.00 5.81 5.75 -1.26 -4.66 116.55 119.27 2q4r n ASP 59 Ca 0.02 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 2q4r n ASP 59 Cb 0.47 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 2q4r n ASP 59 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2q4r n VAL 60 N -1.90 0.00 0.00 2.12 3.14 0.15 -0.18 118.33 121.66 2q4r n VAL 60 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2q4r n VAL 60 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 2q4r n VAL 60 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2q4r n VAL 61 N -0.85 0.40 0.35 1.55 0.24 -1.26 -0.88 118.33 117.88 2q4r n VAL 61 Ca 0.00 0.12 0.04 0.00 -2.04 0.00 0.00 64.34 62.45 2q4r n VAL 61 Cb 0.00 -1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 31.23 2q4r n VAL 61 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2q4r n GLU 62 N -1.04 3.71 0.04 7.34 2.13 0.75 -3.02 120.64 130.55 2q4r n GLU 62 Ca 0.00 -0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.63 2q4r n GLU 62 Cb 0.02 -0.91 -0.08 0.00 0.27 0.00 0.00 31.44 30.74 2q4r n GLU 62 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2q4r h LYS 63 N 0.32 0.00 -6.34 5.31 1.79 -1.13 -3.47 116.57 113.04 2q4r h LYS 63 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 2q4r h LYS 63 Cb 0.21 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.59 2q4r h LYS 63 CO 0.00 0.29 -0.86 0.71 -1.08 0.00 0.00 179.45 178.51 2q4r s TYR 64 N -2.93 2.03 0.27 -1.35 2.02 -1.18 -4.99 117.35 111.22 2q4r s TYR 64 Ca -0.03 -0.39 0.27 0.00 -0.37 0.00 0.00 57.07 56.55 2q4r s TYR 64 Cb 0.09 -1.23 1.22 0.00 -0.40 0.00 0.00 41.96 41.64 2q4r s TYR 64 CO 0.81 0.08 1.96 -0.44 -1.57 0.00 0.00 175.55 176.39 2q4r h ASP 65 N 4.98 0.00 -3.88 2.29 3.32 -1.87 -3.38 116.42 117.87 2q4r h ASP 65 Ca -0.43 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 2q4r h ASP 65 Cb 1.15 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.44 2q4r h ASP 65 CO 0.44 0.16 -0.56 -0.31 -1.72 0.00 0.00 179.24 177.25 2q4r s TYR 66 N -3.89 -0.12 -0.09 4.55 2.02 -1.26 0.04 117.35 118.60 2q4r s TYR 66 Ca -0.01 0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 2q4r s TYR 66 Cb 0.11 0.04 0.05 0.00 -0.40 0.00 0.00 41.96 41.76 2q4r s TYR 66 CO 0.60 -0.09 0.14 0.08 -1.57 0.00 0.00 175.55 174.71 2q4r s VAL 67 N -0.06 -0.22 -0.62 0.71 1.01 -0.70 -2.74 120.40 117.79 2q4r s VAL 67 Ca -0.01 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2q4r s VAL 67 Cb -0.02 -0.32 0.15 0.00 0.00 0.00 0.00 36.38 36.20 2q4r s VAL 67 CO 0.00 0.08 0.40 -0.36 0.00 0.00 0.00 175.10 175.22 2q4r s PHE 68 N 2.25 3.26 0.82 5.22 0.08 -1.04 -1.12 117.98 127.46 2q4r s PHE 68 Ca 0.04 -3.20 -0.11 0.00 0.12 0.00 0.00 56.93 53.78 2q4r s PHE 68 Cb -0.13 -2.62 0.09 0.00 -0.57 0.00 0.00 43.02 39.79 2q4r s PHE 68 CO -0.06 -0.63 1.09 -2.14 -0.10 0.00 0.00 175.22 173.38 2q4r s PRO 69 N -0.93 1.85 -1.52 0.24 0.02 -1.19 -3.30 135.00 130.18 2q4r s PRO 69 Ca 0.22 1.10 -0.03 0.00 0.02 0.00 0.00 61.00 62.32 2q4r s PRO 69 Cb -0.12 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.57 2q4r s PRO 69 CO -0.11 -1.91 0.30 0.39 -0.33 0.00 0.00 177.00 175.35 2q4r n GLU 70 N -3.69 -2.23 -0.41 5.54 1.02 -0.67 -0.30 120.64 119.89 2q4r n GLU 70 Ca 0.09 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2q4r n GLU 70 Cb 0.53 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.73 2q4r n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4r n ASN 71 N -2.89 0.00 0.00 1.62 4.13 -1.15 -2.53 115.26 114.44 2q4r n ASN 71 Ca -0.26 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.00 2q4r n ASN 71 Cb 0.66 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 2q4r n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2q4r n GLY 72 N -2.00 1.17 0.31 7.41 0.00 0.59 -1.97 105.19 110.70 2q4r n GLY 72 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -8.63 0.99 3.38 -1.54 -3.35 115.31 106.16 2q4r h LEU 73 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2q4r h LEU 73 Cb 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.46 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 -4.49 2.26 -0.02 1.22 1.01 -1.23 0.12 120.40 119.27 2q4r s VAL 74 Ca -0.05 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 2q4r s VAL 74 Cb 0.14 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.74 2q4r s VAL 74 CO 0.50 0.58 0.35 0.00 0.00 0.00 0.00 175.10 176.54 2q4r s ALA 75 N -0.48 -0.90 0.01 5.51 0.00 -1.26 -3.17 121.76 121.47 2q4r s ALA 75 Ca 0.06 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.53 2q4r s ALA 75 Cb -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2q4r s ALA 75 CO 0.01 -0.27 -0.15 0.71 0.00 0.00 0.00 175.76 176.06 2q4r s TYR 76 N -1.26 1.32 -0.03 0.00 2.02 -0.27 0.48 117.35 119.60 2q4r s TYR 76 Ca -0.13 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2q4r s TYR 76 Cb -0.05 -0.82 0.03 0.00 -0.40 0.00 0.00 41.96 40.72 2q4r s TYR 76 CO 0.05 0.00 -0.01 0.21 -1.57 0.00 0.00 175.55 174.23 2q4r s LYS 77 N -0.61 0.45 -1.42 -0.62 2.20 0.17 -1.72 119.74 118.20 2q4r s LYS 77 Ca 0.05 0.03 -0.04 0.00 -0.36 0.00 0.00 55.97 55.65 2q4r s LYS 77 Cb -0.06 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 2q4r s LYS 77 CO 0.00 -0.13 0.34 -0.25 -0.36 0.00 0.00 175.35 174.95 2q4r n ASP 78 N 4.16 -0.57 0.00 1.43 10.43 0.11 0.96 116.55 133.07 2q4r n ASP 78 Ca -0.25 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.00 2q4r n ASP 78 Cb 0.50 -2.53 0.00 0.00 1.84 0.00 0.00 41.12 40.94 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 -2.16 0.47 3.71 0.44 0.00 -1.17 -4.97 105.19 101.51 2q4r n GLY 79 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.54 4.02 0.07 1.61 2.20 0.27 -4.93 119.74 122.44 2q4r s LYS 80 Ca 0.00 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 2q4r s LYS 80 Cb 0.00 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 2q4r s LYS 80 CO 0.00 0.35 0.95 -1.17 -0.36 0.00 0.00 175.35 175.12 2q4r s LEU 81 N 0.20 4.45 0.00 5.43 1.98 -1.26 0.46 118.68 129.95 2q4r s LEU 81 Ca 0.07 1.72 0.05 0.00 -2.89 0.00 0.00 54.13 53.08 2q4r s LEU 81 Cb -0.12 -3.56 0.05 0.00 0.66 0.00 0.00 46.19 43.23 2q4r s LEU 81 CO -0.01 -0.13 0.39 -0.11 -1.89 0.00 0.00 176.35 174.61 2q4r n LEU 82 N 3.17 0.00 -4.65 -0.68 7.94 0.18 -4.96 117.00 118.00 2q4r n LEU 82 Ca 0.03 -1.33 -0.42 0.00 -1.11 0.00 0.00 56.01 53.18 2q4r n LEU 82 Cb 0.50 -0.20 -0.03 0.00 0.53 0.00 0.00 43.42 44.22 2q4r n LEU 82 CO 0.51 -0.59 1.45 0.00 -1.11 0.00 0.00 177.39 177.65 2q4r s ARG 84 N 4.34 4.22 -0.17 0.00 0.52 -1.26 -4.72 118.95 121.88 2q4r s ARG 84 Ca 0.78 2.26 -0.05 0.00 -0.52 0.00 0.00 55.73 58.20 2q4r s ARG 84 Cb -0.34 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.52 2q4r s ARG 84 CO 0.32 -0.70 -0.01 -1.14 0.02 0.00 0.00 175.30 173.80 2q4r s GLN 85 N 2.53 3.71 0.21 3.54 2.00 0.33 -5.01 119.66 126.98 2q4r s GLN 85 Ca 0.72 -0.49 0.04 0.00 -2.00 0.00 0.00 55.36 53.62 2q4r s GLN 85 Cb -0.38 -3.00 -0.05 0.00 0.80 0.00 0.00 33.01 30.38 2q4r s GLN 85 CO 0.31 0.19 -0.02 0.54 -0.50 0.00 0.00 175.29 175.81 2q4r s ASN 86 N 0.52 1.76 0.48 6.67 2.20 -1.26 -4.55 114.94 120.76 2q4r s ASN 86 Ca -0.02 -1.18 0.16 0.00 -0.94 0.00 0.00 52.86 50.89 2q4r s ASN 86 Cb -0.14 0.02 1.15 0.00 -2.00 0.00 0.00 41.25 40.28 2q4r s ASN 86 CO 0.02 -0.49 2.06 -0.29 -2.94 0.00 0.00 177.10 175.46 2q4r h ILE 87 N 2.54 1.03 -0.05 0.54 2.10 0.14 -2.55 117.51 121.27 2q4r h ILE 87 Ca -0.38 -0.40 -0.20 0.00 1.08 0.00 0.00 64.86 64.97 2q4r h ILE 87 Cb 1.22 1.22 -0.00 0.00 -1.09 0.00 0.00 36.82 38.16 2q4r h ILE 87 CO 0.64 0.11 -0.81 0.06 -1.08 0.00 0.00 178.15 177.08 2q4r h GLN 88 N 0.00 0.39 -0.07 2.19 3.07 -1.90 -1.11 115.11 117.68 2q4r h GLN 88 Ca -0.00 -0.36 -0.07 0.00 0.09 0.00 0.00 58.65 58.31 2q4r h GLN 88 Cb 0.21 0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2q4r h GLN 88 CO 0.01 1.01 -0.22 0.77 0.09 0.00 0.00 178.83 180.50 2q4r h SER 89 N 0.25 0.31 0.14 0.06 0.02 -1.86 0.49 113.55 112.96 2q4r h SER 89 Ca -0.05 -0.61 -0.01 0.00 -0.84 0.00 0.00 61.79 60.28 2q4r h SER 89 Cb 1.40 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2q4r h SER 89 CO 0.14 0.87 -0.07 -0.74 -1.14 0.00 0.00 176.83 175.89 2q4r h HIS 90 N -0.23 -0.17 0.00 3.45 -0.00 -1.52 -3.28 115.15 113.40 2q4r h HIS 90 Ca -0.01 -0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.17 2q4r h HIS 90 Cb 0.84 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.28 2q4r h HIS 90 CO 0.12 0.10 -0.94 -0.07 -0.00 0.00 0.00 177.93 177.14 2q4r h LEU 91 N -0.43 0.00 0.00 0.26 3.38 -1.31 -3.50 115.31 113.71 2q4r h LEU 91 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2q4r h LEU 91 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2q4r h LEU 91 CO 0.03 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2q4r n GLY 92 N 1.33 0.10 0.33 0.83 0.00 0.17 -4.53 105.19 103.42 2q4r n GLY 92 Ca -0.01 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 0.70 0.36 1.61 4.39 -1.91 -1.73 114.58 117.99 2q4r h GLU 93 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2q4r h GLU 93 Cb 0.00 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2q4r h GLU 93 CO 0.00 0.46 -0.17 0.00 -1.16 0.00 0.00 179.01 178.14 2q4r h ALA 94 N 1.59 -0.48 -0.22 3.43 0.00 -1.93 0.31 119.26 121.97 2q4r h ALA 94 Ca 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2q4r h ALA 94 Cb 0.73 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2q4r h ALA 94 CO -0.36 -0.76 0.14 1.25 0.00 0.00 0.00 179.25 179.52 2q4r h LEU 95 N -0.51 0.25 -0.64 0.00 5.85 -1.75 -0.27 115.31 118.23 2q4r h LEU 95 Ca -0.05 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.79 2q4r h LEU 95 Cb 0.38 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.23 2q4r h LEU 95 CO 0.08 0.18 -0.18 0.40 -0.34 0.00 0.00 178.44 178.58 2q4r h ILE 96 N 0.29 0.33 -0.08 4.05 1.08 -1.17 -0.85 117.51 121.16 2q4r h ILE 96 Ca 0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2q4r h ILE 96 Cb -0.03 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.04 2q4r h ILE 96 CO -0.02 0.00 0.02 1.56 -0.69 0.00 0.00 178.15 179.03 2q4r h GLN 97 N -0.02 0.13 -0.91 2.37 4.20 -0.23 -2.01 115.11 118.65 2q4r h GLN 97 Ca 0.30 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.07 2q4r h GLN 97 Cb 0.49 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 2q4r h GLN 97 CO -0.67 0.30 0.59 -0.44 -0.67 0.00 0.00 178.83 177.94 2q4r h ASP 98 N -0.06 0.85 -0.42 1.46 5.19 -0.35 1.22 116.42 124.32 2q4r h ASP 98 Ca 0.03 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.41 2q4r h ASP 98 Cb 0.23 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 2q4r h ASP 98 CO -0.00 0.51 0.07 -0.07 -3.12 0.00 0.00 179.24 176.63 2q4r h LEU 99 N 0.95 0.66 -0.08 1.55 3.38 -1.06 0.07 115.31 120.77 2q4r h LEU 99 Ca 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2q4r h LEU 99 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2q4r h LEU 99 CO -0.18 0.75 0.01 0.40 0.09 0.00 0.00 178.44 179.51 2q4r h ILE 100 N 0.54 1.24 -0.71 1.22 2.04 -0.45 -0.66 117.51 120.73 2q4r h ILE 100 Ca 0.13 -0.74 0.16 0.00 1.00 0.00 0.00 64.86 65.41 2q4r h ILE 100 Cb 0.37 1.56 -0.12 0.00 -0.74 0.00 0.00 36.82 37.89 2q4r h ILE 100 CO 0.01 0.21 0.00 0.78 0.00 0.00 0.00 178.15 179.15 2q4r h ASN 101 N -0.12 -0.33 0.51 1.72 4.21 0.17 0.26 115.58 122.01 2q4r h ASN 101 Ca 0.02 0.18 -0.03 0.00 1.21 0.00 0.00 56.30 57.69 2q4r h ASN 101 Cb 0.32 0.32 0.01 0.00 -1.12 0.00 0.00 38.32 37.85 2q4r h ASN 101 CO 0.00 -0.16 -0.25 0.22 -1.29 0.00 0.00 177.43 175.96 2q4r h TYR 102 N 0.11 -0.64 -1.00 1.19 3.20 -0.76 -2.94 116.97 116.13 2q4r h TYR 102 Ca 0.38 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.40 2q4r h TYR 102 Cb 0.66 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 39.05 2q4r h TYR 102 CO -0.41 -0.32 0.62 0.00 -1.64 0.00 0.00 178.16 176.42 2q4r h LEU 104 N 0.84 -0.38 -0.19 0.00 3.38 -0.96 -2.42 115.31 115.59 2q4r h LEU 104 Ca 0.53 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.55 2q4r h LEU 104 Cb 0.73 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2q4r h LEU 104 CO -0.32 -0.19 0.08 0.28 0.09 0.00 0.00 178.44 178.38 2q4r h SER 105 N -0.23 0.26 -0.24 -0.43 0.02 -1.19 -3.07 113.55 108.66 2q4r h SER 105 Ca 0.04 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2q4r h SER 105 Cb 0.28 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 2q4r h SER 105 CO -0.12 0.35 -0.34 0.22 -1.14 0.00 0.00 176.83 175.80 2q4r h TYR 106 N 0.15 -0.95 -0.99 3.45 3.20 -1.18 -1.89 116.97 118.76 2q4r h TYR 106 Ca 0.06 0.05 0.17 0.00 3.14 0.00 0.00 58.73 62.15 2q4r h TYR 106 Cb 0.17 0.45 -0.10 0.00 1.54 0.00 0.00 36.73 38.80 2q4r h TYR 106 CO -0.01 -0.40 0.62 0.82 -1.64 0.00 0.00 178.16 177.54 2q4r h ILE 107 N -0.35 0.77 0.00 1.81 2.04 -1.41 0.81 117.51 121.18 2q4r h ILE 107 Ca 0.12 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2q4r h ILE 107 Cb 0.55 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2q4r h ILE 107 CO -0.44 0.15 -0.01 0.00 0.00 0.00 0.00 178.15 177.85 2q4r h ALA 108 N 1.61 1.06 0.00 1.87 0.00 -1.24 -2.52 119.26 120.03 2q4r h ALA 108 Ca 0.54 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.19 2q4r h ALA 108 Cb 0.79 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2q4r h ALA 108 CO -0.32 0.01 -1.69 1.63 0.00 0.00 0.00 179.25 178.87 2q4r n LYS 109 N -3.18 0.63 -1.82 0.00 5.02 0.26 -4.91 118.16 114.17 2q4r n LYS 109 Ca -0.02 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 2q4r n LYS 109 Cb 0.12 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.33 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 -2.69 2.98 -0.37 -0.18 1.01 -0.95 -4.95 121.20 116.04 2q4r s ILE 110 Ca -0.05 0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.68 2q4r s ILE 110 Cb 0.08 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.37 2q4r s ILE 110 CO 0.82 -0.01 0.66 -0.54 0.00 0.00 0.00 174.94 175.87 2q4r s LYS 111 N 3.31 3.64 0.31 2.79 -0.14 -1.26 -5.03 119.74 123.35 2q4r s LYS 111 Ca 0.79 0.04 0.06 0.00 -1.36 0.00 0.00 55.97 55.50 2q4r s LYS 111 Cb -0.41 -3.83 -0.06 0.00 -1.68 0.00 0.00 37.83 31.85 2q4r s LYS 111 CO 0.35 -0.79 -0.02 -0.51 -0.76 0.00 0.00 175.35 173.62 2q4r s LEU 112 N 2.79 2.47 0.26 3.17 1.43 -1.26 -5.02 118.68 122.52 2q4r s LEU 112 Ca 0.25 -1.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.15 2q4r s LEU 112 Cb -0.14 -0.63 0.34 0.00 0.03 0.00 0.00 46.19 45.79 2q4r s LEU 112 CO 0.16 -0.42 1.61 1.55 0.23 0.00 0.00 176.35 179.48 2q4r h PRO 113 N 2.15 0.18 -3.96 1.29 0.13 -2.01 -3.45 132.00 126.33 2q4r h PRO 113 Ca -0.41 -0.11 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 2q4r h PRO 113 Cb 1.24 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 2q4r h PRO 113 CO 0.70 0.69 -0.53 0.15 -0.23 0.00 0.00 178.00 178.78 2q4r s LYS 114 N -3.83 0.68 -0.03 0.86 1.02 -1.26 -5.16 119.74 112.02 2q4r s LYS 114 Ca -0.03 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 54.93 2q4r s LYS 114 Cb 0.13 0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.71 2q4r s LYS 114 CO 0.78 -0.18 0.10 0.15 -0.92 0.00 0.00 175.35 175.28 2q4r s LYS 115 N -3.50 0.13 0.00 1.68 1.02 -1.26 -4.91 119.74 112.90 2q4r s LYS 115 Ca 0.03 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.12 2q4r s LYS 115 Cb 0.04 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2q4r s LYS 115 CO -0.09 -0.02 0.00 0.54 -0.92 0.00 0.00 175.35 174.87 2q4r n ARG 116 N 2.95 0.00 -1.16 1.68 5.12 -1.05 -5.10 116.66 119.11 2q4r n ARG 116 Ca -0.13 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.79 2q4r n ARG 116 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 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 4.34 2.10 3.80 -0.13 0.00 -1.26 -4.99 105.19 109.05 2q4r n GLY 117 Ca 0.00 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.02 -4.75 0.44 2.61 -1.04 -1.26 -1.60 114.28 108.65 2q4r n THR 118 Ca -0.00 -0.71 0.13 0.00 -2.04 0.00 0.00 64.05 61.43 2q4r n THR 118 Cb 0.02 -3.64 0.40 0.00 -1.82 0.00 0.00 70.33 65.29 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 -1.86 0.00 -3.13 -1.42 0.04 -1.90 0.25 116.94 108.92 2q4r h PHE 119 Ca -0.65 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 59.82 2q4r h PHE 119 Cb 1.36 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 39.15 2q4r h PHE 119 CO 0.33 0.00 -0.65 0.42 -0.60 0.00 0.00 178.31 177.81 2q4r s ILE 120 N -3.24 -0.23 -0.23 -0.55 1.01 -1.25 -0.56 121.20 116.14 2q4r s ILE 120 Ca 0.07 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 2q4r s ILE 120 Cb 0.09 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.30 2q4r s ILE 120 CO 0.57 0.15 -0.05 -0.70 0.00 0.00 0.00 174.94 174.91 2q4r s GLU 121 N 2.21 3.21 -0.21 2.79 2.12 -0.50 -4.93 118.70 123.39 2q4r s GLU 121 Ca 0.03 -0.74 -0.25 0.00 0.36 0.00 0.00 54.97 54.37 2q4r s GLU 121 Cb -0.12 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 2q4r s GLU 121 CO -0.05 -0.26 0.83 0.12 -0.54 0.00 0.00 175.26 175.36 2q4r s PHE 122 N 1.43 3.36 0.27 5.30 5.36 -1.26 -0.93 117.98 131.52 2q4r s PHE 122 Ca 0.04 1.20 0.11 0.00 -0.96 0.00 0.00 56.93 57.33 2q4r s PHE 122 Cb -0.15 -3.04 -0.05 0.00 -0.34 0.00 0.00 43.02 39.45 2q4r s PHE 122 CO -0.04 -0.32 -0.16 1.03 -1.46 0.00 0.00 175.22 174.27 2q4r s ARG 123 N 2.51 1.81 0.46 10.12 3.00 -1.26 -5.02 118.95 130.57 2q4r s ARG 123 Ca 0.37 -1.68 0.13 0.00 0.00 0.00 0.00 55.73 54.55 2q4r s ARG 123 Cb -0.16 -1.86 1.06 0.00 0.00 0.00 0.00 34.95 33.99 2q4r s ARG 123 CO 0.10 0.34 2.07 -0.91 0.00 0.00 0.00 175.30 176.90 2q4r h ASN 124 N 2.25 0.15 -0.54 0.23 2.35 -1.97 -3.43 115.58 114.62 2q4r h ASN 124 Ca -0.41 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2q4r h ASN 124 Cb 1.25 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2q4r h ASN 124 CO 0.59 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 177.15 2q4r n GLY 125 N -1.35 2.65 3.69 2.83 0.00 -1.26 0.17 105.19 111.92 2q4r n GLY 125 Ca -0.01 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.03 3.55 -0.10 0.99 1.43 -0.03 -4.50 118.68 118.98 2q4r s LEU 127 Ca 0.36 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2q4r s LEU 127 Cb 0.19 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2q4r s LEU 127 CO 0.24 0.28 -0.13 0.21 0.23 0.00 0.00 176.35 177.19 2q4r s ASN 128 N -1.55 4.07 -0.10 2.29 3.04 -0.11 -1.81 114.94 120.78 2q4r s ASN 128 Ca 0.20 -0.26 0.02 0.00 0.04 0.00 0.00 52.86 52.85 2q4r s ASN 128 Cb -0.12 -1.35 0.01 0.00 -1.54 0.00 0.00 41.25 38.26 2q4r s ASN 128 CO 0.10 0.23 -0.14 -0.69 -3.04 0.00 0.00 177.10 173.56 2q4r s VAL 129 N -0.05 1.42 -0.28 -5.21 1.01 -0.25 -1.41 120.40 115.62 2q4r s VAL 129 Ca -0.02 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 2q4r s VAL 129 Cb -0.14 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 35.03 2q4r s VAL 129 CO 0.04 0.42 0.06 -0.55 0.00 0.00 0.00 175.10 175.07 2q4r s SER 130 N 0.95 3.91 0.51 3.32 0.15 0.27 -0.81 113.70 122.00 2q4r s SER 130 Ca -0.08 -1.50 0.37 0.00 0.70 0.00 0.00 55.95 55.45 2q4r s SER 130 Cb -0.15 -0.95 1.53 0.00 -1.71 0.00 0.00 66.02 64.73 2q4r s SER 130 CO -0.01 -0.37 1.72 -0.65 1.20 0.00 0.00 173.24 175.14 2q4r h PRO 131 N 8.04 0.06 0.00 5.44 0.11 -1.83 1.08 132.00 144.90 2q4r h PRO 131 Ca -0.14 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.75 2q4r h PRO 131 Cb 1.04 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2q4r h PRO 131 CO 0.45 0.04 -1.73 1.51 -0.21 0.00 0.00 178.00 178.05 2q4r n ILE 132 N -4.25 1.22 0.00 4.15 3.06 -1.26 -4.88 119.36 117.40 2q4r n ILE 132 Ca 0.32 -0.73 0.00 0.00 -2.50 0.00 0.00 62.75 59.83 2q4r n ILE 132 Cb 1.42 -0.68 0.00 0.00 0.54 0.00 0.00 39.64 40.91 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 1.49 2.54 0.13 4.50 0.00 0.37 -2.52 105.19 111.71 2q4r n GLY 133 Ca -0.16 -1.74 -0.00 0.00 0.00 0.00 0.00 46.02 44.13 2q4r n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q4r h ARG 134 N 0.00 0.00 0.00 1.61 3.08 0.50 -3.33 114.38 116.24 2q4r h ARG 134 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q4r h ARG 134 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2q4r h ARG 134 CO 0.00 0.62 0.85 0.66 -1.07 0.00 0.00 179.97 181.03 2q4r h SER 135 N 0.00 0.00 -0.69 7.04 4.64 -1.74 -3.44 113.55 119.36 2q4r h SER 135 Ca -0.01 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2q4r h SER 135 Cb 1.24 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.40 2q4r h SER 135 CO 0.08 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 175.66 2q4r s SER 137 N -0.55 4.21 0.00 0.00 1.04 -1.26 -4.80 113.70 112.34 2q4r s SER 137 Ca 0.34 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2q4r s SER 137 Cb -0.45 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2q4r s SER 137 CO 0.32 0.14 0.00 1.67 0.98 0.00 0.00 173.24 176.35 2q4r n GLN 138 N 3.71 0.00 0.34 4.02 0.00 -1.26 0.29 117.38 124.48 2q4r n GLN 138 Ca -0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.66 2q4r n GLN 138 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.68 2q4r n GLN 138 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2q4r h GLU 139 N 0.00 -0.92 -1.01 3.69 3.07 -2.01 -2.77 114.58 114.63 2q4r h GLU 139 Ca 0.00 0.06 0.24 0.00 -0.50 0.00 0.00 59.36 59.16 2q4r h GLU 139 Cb 0.00 0.21 -0.12 0.00 -0.84 0.00 0.00 28.75 28.00 2q4r h GLU 139 CO 0.00 -0.62 0.60 0.93 -1.40 0.00 0.00 179.01 178.53 2q4r h GLU 140 N -0.96 0.59 -0.84 2.33 5.08 0.39 0.94 114.58 122.11 2q4r h GLU 140 Ca -0.08 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2q4r h GLU 140 Cb 0.77 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2q4r h GLU 140 CO 0.07 0.39 0.56 0.00 -1.00 0.00 0.00 179.01 179.03 2q4r h ARG 141 N 0.60 1.10 -0.11 2.33 2.47 -1.30 -1.67 114.38 117.80 2q4r h ARG 141 Ca 0.63 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 59.25 2q4r h ARG 141 Cb 1.19 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 2q4r h ARG 141 CO -0.45 0.73 -0.08 0.82 0.56 0.00 0.00 179.97 181.55 2q4r h ILE 142 N 1.13 1.34 -0.00 2.04 1.08 -0.56 0.18 117.51 122.72 2q4r h ILE 142 Ca 0.31 -1.16 0.02 0.00 -0.39 0.00 0.00 64.86 63.64 2q4r h ILE 142 Cb -0.12 1.87 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2q4r h ILE 142 CO -0.07 0.33 -0.51 -0.08 -0.69 0.00 0.00 178.15 177.13 2q4r h GLU 143 N -0.13 -0.62 -0.49 2.37 4.81 -1.29 0.32 114.58 119.56 2q4r h GLU 143 Ca 0.02 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2q4r h GLU 143 Cb 0.56 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 2q4r h GLU 143 CO 0.02 -0.41 0.11 0.35 -0.73 0.00 0.00 179.01 178.35 2q4r h PHE 144 N -0.64 0.18 -0.24 0.92 3.57 -1.28 -1.12 116.94 118.34 2q4r h PHE 144 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2q4r h PHE 144 Cb 0.69 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2q4r h PHE 144 CO -0.51 0.01 0.13 -0.92 -2.23 0.00 0.00 178.31 174.79 2q4r h TYR 145 N 0.25 0.31 -0.64 0.41 3.20 0.30 -0.21 116.97 120.59 2q4r h TYR 145 Ca 0.24 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2q4r h TYR 145 Cb 0.31 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2q4r h TYR 145 CO -0.21 0.22 0.36 1.49 -1.64 0.00 0.00 178.16 178.38 2q4r h GLU 146 N 0.32 0.87 0.07 1.82 4.81 0.92 -0.20 114.58 123.20 2q4r h GLU 146 Ca 0.09 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2q4r h GLU 146 Cb 0.02 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2q4r h GLU 146 CO -0.01 0.63 -0.03 1.25 -0.73 0.00 0.00 179.01 180.11 2q4r h LEU 147 N 0.88 -0.08 -1.25 1.64 5.85 -1.06 -2.92 115.31 118.37 2q4r h LEU 147 Ca 0.23 -0.52 0.36 0.00 0.84 0.00 0.00 57.88 58.79 2q4r h LEU 147 Cb 0.00 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 40.92 2q4r h LEU 147 CO -0.04 0.53 0.70 -0.78 -0.34 0.00 0.00 178.44 178.51 2q4r h ASP 148 N -0.75 0.38 -0.28 1.25 3.58 -0.37 1.71 116.42 121.95 2q4r h ASP 148 Ca -0.01 0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 2q4r h ASP 148 Cb 0.59 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2q4r h ASP 148 CO 0.02 -0.12 -0.11 0.11 -2.88 0.00 0.00 179.24 176.26 2q4r h LYS 149 N 0.23 0.57 -0.06 0.28 1.57 -1.01 1.28 116.57 119.43 2q4r h LYS 149 Ca 0.74 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 59.13 2q4r h LYS 149 Cb 2.02 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.32 2q4r h LYS 149 CO -0.47 0.80 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.43 2q4r h LYS 150 N 0.31 0.47 0.00 3.15 3.64 0.55 -3.36 116.57 121.33 2q4r h LYS 150 Ca 0.06 -0.44 -0.24 0.00 -1.27 0.00 0.00 60.65 58.77 2q4r h LYS 150 Cb 0.62 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 2q4r h LYS 150 CO 0.04 1.08 -1.66 0.39 -2.27 0.00 0.00 179.45 177.02 2q4r n GLU 151 N -4.22 0.63 -3.40 1.90 -0.58 0.52 -5.00 120.64 110.49 2q4r n GLU 151 Ca -0.09 0.22 -0.24 0.00 -0.42 0.00 0.00 57.16 56.62 2q4r n GLU 151 Cb 0.64 -1.76 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 2q4r n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2q4r n ASN 152 N -2.92 -5.78 -0.33 1.62 4.13 0.44 -4.88 115.26 107.53 2q4r n ASN 152 Ca -0.15 -0.47 0.08 0.00 1.68 0.00 0.00 54.58 55.72 2q4r n ASN 152 Cb 0.96 -4.62 0.24 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 -1.93 0.82 -0.38 2.41 1.08 -1.87 -2.11 117.51 115.53 2q4r h ILE 153 Ca -0.54 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 63.58 2q4r h ILE 153 Cb 1.36 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 2q4r h ILE 153 CO 0.58 0.15 -0.04 0.03 -0.69 0.00 0.00 178.15 178.19 2q4r h ARG 154 N 0.83 0.62 -0.27 2.37 3.08 -1.89 -1.09 114.38 118.03 2q4r h ARG 154 Ca 0.50 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.30 2q4r h ARG 154 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2q4r h ARG 154 CO -0.31 0.67 -0.17 0.37 -1.07 0.00 0.00 179.97 179.46 2q4r h GLN 155 N 0.59 0.59 -0.09 0.04 4.15 -1.77 -2.77 115.11 115.85 2q4r h GLN 155 Ca 0.12 -0.27 -0.20 0.00 0.77 0.00 0.00 58.65 59.06 2q4r h GLN 155 Cb 0.43 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2q4r h GLN 155 CO 0.02 0.85 -0.77 -0.22 -1.93 0.00 0.00 178.83 176.78 2q4r h LYS 156 N 0.31 0.51 -0.24 1.69 3.64 -1.50 -0.99 116.57 119.99 2q4r h LYS 156 Ca 0.05 -0.43 0.06 0.00 -1.27 0.00 0.00 60.65 59.06 2q4r h LYS 156 Cb 0.70 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.55 2q4r h LYS 156 CO 0.05 1.06 -0.23 0.35 -2.27 0.00 0.00 179.45 178.41 2q4r h PHE 157 N 0.34 -0.61 0.00 1.91 3.04 -1.22 -1.17 116.94 119.23 2q4r h PHE 157 Ca -0.04 0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.96 2q4r h PHE 157 Cb 1.37 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 40.16 2q4r h PHE 157 CO 0.06 -0.31 -0.09 0.28 -2.02 0.00 0.00 178.31 176.23 2q4r h VAL 158 N -0.24 0.76 -0.84 1.41 2.07 -1.37 -2.36 116.25 115.69 2q4r h VAL 158 Ca 0.13 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.85 2q4r h VAL 158 Cb 0.45 0.76 -0.12 0.00 -1.52 0.00 0.00 31.29 30.86 2q4r h VAL 158 CO -0.38 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.53 2q4r h ALA 159 N 0.81 1.24 -0.83 1.67 0.00 -0.57 0.23 119.26 121.81 2q4r h ALA 159 Ca 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2q4r h ALA 159 Cb 0.21 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2q4r h ALA 159 CO -0.09 -0.32 0.42 -0.44 0.00 0.00 0.00 179.25 178.82 2q4r h ASP 160 N 0.37 1.06 -0.46 0.00 3.32 -0.72 -2.27 116.42 117.72 2q4r h ASP 160 Ca 0.50 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.38 2q4r h ASP 160 Cb 0.90 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2q4r h ASP 160 CO -0.51 0.88 0.10 -0.07 -1.72 0.00 0.00 179.24 177.92 2q4r h LEU 161 N 1.17 0.77 -0.97 1.55 3.38 -0.21 -0.11 115.31 120.89 2q4r h LEU 161 Ca 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2q4r h LEU 161 Cb 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2q4r h LEU 161 CO -0.04 0.77 0.49 0.03 0.09 0.00 0.00 178.44 179.78 2q4r h ARG 162 N 0.78 1.20 0.16 1.13 3.08 -0.58 0.82 114.38 120.97 2q4r h ARG 162 Ca 0.17 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2q4r h ARG 162 Cb 0.33 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2q4r h ARG 162 CO 0.00 0.87 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.48 2q4r h LYS 163 N 1.21 -0.21 -0.96 0.04 3.64 -1.16 -2.52 116.57 116.61 2q4r h LYS 163 Ca 0.31 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.91 2q4r h LYS 163 Cb 0.01 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 2q4r h LYS 163 CO -0.05 0.05 0.62 1.49 -2.27 0.00 0.00 179.45 179.29 2q4r h GLU 164 N -1.01 0.50 -0.57 1.90 4.57 -1.02 -2.38 114.58 116.57 2q4r h GLU 164 Ca -0.02 -0.03 -0.39 0.00 -1.18 0.00 0.00 59.36 57.73 2q4r h GLU 164 Cb 0.36 -0.11 -0.27 0.00 -0.16 0.00 0.00 28.75 28.57 2q4r h GLU 164 CO 0.04 0.33 -0.35 1.19 -1.18 0.00 0.00 179.01 179.04 2q4r n PHE 165 N -4.61 1.99 -1.41 0.92 3.72 0.28 -5.05 117.46 113.31 2q4r n PHE 165 Ca 0.22 -2.07 -0.33 0.00 -0.05 0.00 0.00 57.45 55.21 2q4r n PHE 165 Cb 0.70 -0.52 0.09 0.00 -0.94 0.00 0.00 39.48 38.80 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 -3.49 2.14 0.00 4.37 0.00 -0.90 -2.32 121.76 121.56 2q4r s ALA 166 Ca 0.49 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2q4r s ALA 166 Cb 0.42 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2q4r s ALA 166 CO 0.01 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.35 2q4r n GLY 167 N 0.00 0.90 0.09 0.00 0.00 -1.26 -4.78 105.19 100.13 2q4r n GLY 167 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2q4r n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4r n LYS 168 N -2.00 1.12 -3.22 1.61 4.76 -0.98 -4.95 118.16 114.50 2q4r n LYS 168 Ca 0.00 -0.18 -0.10 0.00 -2.87 0.00 0.00 58.31 55.16 2q4r n LYS 168 Cb 0.00 -1.35 0.04 0.00 -1.84 0.00 0.00 35.03 31.88 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 0.89 -1.19 2.98 0.72 0.00 -1.26 -5.04 105.19 102.29 2q4r n GLY 169 Ca 0.16 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 2q4r n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 170 N -4.88 2.18 -0.00 0.99 1.43 -1.26 -3.98 118.68 113.15 2q4r s LEU 170 Ca 0.26 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 2q4r s LEU 170 Cb -0.04 -0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 2q4r s LEU 170 CO 0.76 -0.19 -0.16 -0.89 0.23 0.00 0.00 176.35 176.10 2q4r s THR 171 N -1.06 2.94 0.32 5.49 2.01 0.22 -4.86 115.64 120.70 2q4r s THR 171 Ca -0.10 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.05 2q4r s THR 171 Cb -0.08 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2q4r s THR 171 CO -0.00 0.46 0.03 -0.36 -0.69 0.00 0.00 174.62 174.07 2q4r s PHE 172 N -0.83 2.62 -0.30 4.92 0.08 -1.26 -1.56 117.98 121.65 2q4r s PHE 172 Ca 0.13 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 56.74 2q4r s PHE 172 Cb -0.11 -1.42 0.16 0.00 -0.57 0.00 0.00 43.02 41.08 2q4r s PHE 172 CO 0.03 0.49 0.73 0.45 -0.10 0.00 0.00 175.22 176.83 2q4r s SER 173 N -3.73 -1.05 -0.13 1.36 0.15 -0.47 -4.95 113.70 104.88 2q4r s SER 173 Ca 0.34 1.16 -0.14 0.00 0.70 0.00 0.00 55.95 58.02 2q4r s SER 173 Cb -0.03 2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 66.31 2q4r s SER 173 CO 0.20 -0.20 0.31 -0.63 1.20 0.00 0.00 173.24 174.13 2q4r s ILE 174 N 2.80 5.27 0.21 6.45 1.01 -1.26 0.05 121.20 135.74 2q4r s ILE 174 Ca 0.02 0.60 -0.23 0.00 0.00 0.00 0.00 60.65 61.04 2q4r s ILE 174 Cb -0.11 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.76 2q4r s ILE 174 CO -0.19 0.43 0.86 -0.83 0.00 0.00 0.00 174.94 175.21 2q4r s GLY 175 N 0.16 -0.16 0.00 6.18 0.00 -1.22 -5.02 107.32 107.27 2q4r s GLY 175 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2q4r s GLY 175 CO 0.06 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.75 2q4r n GLY 176 N -0.47 0.99 0.11 0.20 0.00 -1.26 -4.24 105.19 100.52 2q4r n GLY 176 Ca -0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 2q4r n GLY 176 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2q4r h GLN 177 N 0.00 0.19 -0.40 1.61 4.20 -2.01 -3.45 115.11 115.25 2q4r h GLN 177 Ca 0.00 -0.33 -0.26 0.00 0.06 0.00 0.00 58.65 58.12 2q4r h GLN 177 Cb 0.00 0.12 -0.40 0.00 0.30 0.00 0.00 27.48 27.51 2q4r h GLN 177 CO 0.00 1.16 -1.07 0.44 -0.67 0.00 0.00 178.83 178.69 2q4r n ILE 178 N -4.08 1.26 -3.58 2.54 -0.00 -1.26 -4.55 119.36 109.69 2q4r n ILE 178 Ca -0.23 -2.82 -0.06 0.00 -0.00 0.00 0.00 62.75 59.64 2q4r n ILE 178 Cb 0.82 1.00 -0.02 0.00 -0.00 0.00 0.00 39.64 41.44 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 -3.56 -0.20 0.43 7.28 1.04 -1.26 -4.55 113.70 112.88 2q4r s SER 179 Ca 0.30 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2q4r s SER 179 Cb 0.34 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 2q4r s SER 179 CO -0.05 -0.31 0.01 2.22 0.98 0.00 0.00 173.24 176.09 2q4r n PHE 180 N -0.03 0.96 -4.18 5.02 1.16 0.01 -3.39 117.46 117.00 2q4r n PHE 180 Ca -0.02 -2.18 -0.16 0.00 -1.87 0.00 0.00 57.45 53.22 2q4r n PHE 180 Cb 0.59 -0.27 -0.11 0.00 -1.61 0.00 0.00 39.48 38.08 2q4r n PHE 180 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2q4r s ASP 181 N -3.40 1.58 -0.08 5.98 1.01 0.11 -1.10 116.67 120.76 2q4r s ASP 181 Ca 0.01 -0.74 -0.00 0.00 0.71 0.00 0.00 52.55 52.53 2q4r s ASP 181 Cb 0.00 -0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.94 2q4r s ASP 181 CO 0.01 -0.19 -0.04 -0.69 0.21 0.00 0.00 175.17 174.47 2q4r s VAL 182 N -2.00 0.69 0.27 -1.27 1.01 -0.75 -1.37 120.40 116.99 2q4r s VAL 182 Ca 0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2q4r s VAL 182 Cb -0.06 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 2q4r s VAL 182 CO 0.01 0.30 0.48 0.72 0.00 0.00 0.00 175.10 176.61 2q4r s PHE 183 N 1.63 0.54 0.42 5.22 -0.12 -0.60 -0.85 117.98 124.22 2q4r s PHE 183 Ca 0.01 -0.89 -0.22 0.00 -0.05 0.00 0.00 56.93 55.78 2q4r s PHE 183 Cb -0.13 0.13 -0.10 0.00 -0.63 0.00 0.00 43.02 42.30 2q4r s PHE 183 CO -0.05 -1.04 1.00 -2.14 -0.05 0.00 0.00 175.22 172.94 2q4r s PRO 184 N -3.70 4.15 0.16 1.99 0.02 -1.26 -0.61 135.00 135.75 2q4r s PRO 184 Ca 0.25 1.34 -0.34 0.00 0.02 0.00 0.00 61.00 62.27 2q4r s PRO 184 Cb -0.00 -2.36 -0.14 0.00 0.02 0.00 0.00 34.50 32.01 2q4r s PRO 184 CO 0.12 -0.13 1.53 -0.25 -0.33 0.00 0.00 177.00 177.94 2q4r n ASP 185 N -0.37 2.90 0.00 2.53 8.00 -1.26 -1.81 116.55 126.54 2q4r n ASP 185 Ca 0.06 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.66 2q4r n ASP 185 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 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 3.16 0.82 1.39 0.44 0.00 -1.26 -4.93 105.19 104.81 2q4r n GLY 186 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.33 0.04 -2.60 1.61 7.02 -0.75 -2.33 117.44 118.10 2q4r n TRP 187 Ca 0.00 -0.90 0.00 0.00 -1.02 0.00 0.00 57.50 55.58 2q4r n TRP 187 Cb 0.00 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 2q4r n TRP 187 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2q4r n ASP 188 N 1.23 0.14 0.02 -0.99 5.75 -1.26 -4.84 116.55 116.61 2q4r n ASP 188 Ca 0.01 -0.53 0.01 0.00 -0.01 0.00 0.00 54.79 54.27 2q4r n ASP 188 Cb 0.50 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.49 0.01 0.13 0.11 5.02 -1.26 -0.93 118.16 120.75 2q4r n LYS 189 Ca 0.00 0.38 -0.01 0.00 -2.02 0.00 0.00 58.31 56.65 2q4r n LYS 189 Cb 0.00 -1.68 0.16 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.91 1.97 3.08 -1.84 -3.28 114.38 113.40 2q4r h ARG 190 Ca 0.00 -0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.26 2q4r h ARG 190 Cb 0.30 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.23 2q4r h ARG 190 CO 0.00 0.63 0.43 -0.92 -1.07 0.00 0.00 179.97 179.04 2q4r h TYR 191 N 0.00 0.72 0.00 3.04 3.20 -0.62 -0.15 116.97 123.15 2q4r h TYR 191 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2q4r h TYR 191 Cb 1.11 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2q4r h TYR 191 CO 0.00 -0.00 0.01 0.00 -1.64 0.00 0.00 178.16 176.53 2q4r h LEU 193 N 0.00 0.95 -0.42 0.00 3.38 -1.26 -3.11 115.31 114.86 2q4r h LEU 193 Ca 0.00 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.83 2q4r h LEU 193 Cb 0.02 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 2q4r h LEU 193 CO 0.00 0.94 0.04 0.08 0.09 0.00 0.00 178.44 179.60 2q4r h ARG 194 N 0.94 0.16 0.00 1.13 0.11 -1.78 0.40 114.38 115.34 2q4r h ARG 194 Ca 0.19 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.26 2q4r h ARG 194 Cb 0.39 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2q4r h ARG 194 CO 0.01 0.10 0.11 0.72 0.10 0.00 0.00 179.97 181.01 2q4r n HIS 195 N -5.15 0.37 0.00 4.08 8.25 -1.17 -3.24 115.22 118.36 2q4r n HIS 195 Ca 0.03 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2q4r n HIS 195 Cb 0.21 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.59 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 -1.87 0.00 -0.12 1.59 0.24 0.45 -4.83 118.33 113.79 2q4r n VAL 196 Ca -0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.20 2q4r n VAL 196 Cb 0.12 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.22 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 0.56 -0.29 7.34 4.11 -0.33 -2.09 114.58 123.88 2q4r h GLU 197 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2q4r h GLU 197 Cb 0.39 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2q4r h GLU 197 CO 0.00 0.55 0.00 0.09 0.07 0.00 0.00 179.01 179.72 2q4r n ASN 198 N -4.66 0.29 0.00 3.06 3.02 -1.25 -4.58 115.26 111.14 2q4r n ASN 198 Ca -0.01 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 2q4r n ASN 198 Cb 0.16 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.24 0.00 -2.09 6.41 10.43 -0.79 -5.05 116.55 125.22 2q4r n ASP 199 Ca 0.00 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.37 2q4r n ASP 199 Cb 0.07 0.00 0.03 0.00 1.84 0.00 0.00 41.12 43.07 2q4r n ASP 199 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2q4r n GLY 200 N 5.00 1.36 3.88 0.44 0.00 -1.26 -5.10 105.19 109.51 2q4r n GLY 200 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.47 3.59 0.12 1.61 2.02 -1.26 -4.84 117.35 117.11 2q4r s TYR 201 Ca 0.25 0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 57.47 2q4r s TYR 201 Cb 0.33 -1.97 -0.12 0.00 -0.40 0.00 0.00 41.96 39.80 2q4r s TYR 201 CO -0.10 0.65 1.28 0.87 -1.57 0.00 0.00 175.55 176.69 2q4r h LYS 202 N 4.24 0.35 -4.60 -0.62 6.56 0.15 -3.47 116.57 119.19 2q4r h LYS 202 Ca -0.51 -0.41 -0.22 0.00 -1.06 0.00 0.00 60.65 58.45 2q4r h LYS 202 Cb 1.20 0.13 -0.15 0.00 -0.57 0.00 0.00 32.23 32.84 2q4r h LYS 202 CO 0.64 1.10 -0.68 0.99 -2.06 0.00 0.00 179.45 179.44 2q4r s THR 203 N -3.14 0.57 -0.29 -0.16 2.01 -1.25 -4.90 115.64 108.48 2q4r s THR 203 Ca -0.05 -1.92 -0.03 0.00 0.31 0.00 0.00 61.69 60.00 2q4r s THR 203 Cb 0.09 -1.76 0.11 0.00 0.01 0.00 0.00 72.50 70.94 2q4r s THR 203 CO 0.86 -0.79 0.17 -0.63 -0.69 0.00 0.00 174.62 173.54 2q4r s ILE 204 N -3.71 -0.13 0.45 1.82 1.01 -1.26 -2.10 121.20 117.29 2q4r s ILE 204 Ca 0.14 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 2q4r s ILE 204 Cb 0.06 -0.98 -0.10 0.00 0.01 0.00 0.00 42.46 41.45 2q4r s ILE 204 CO -0.04 -0.69 1.00 -0.31 0.00 0.00 0.00 174.94 174.90 2q4r s TYR 205 N 2.10 3.16 -0.03 3.97 2.02 -0.81 -4.31 117.35 123.45 2q4r s TYR 205 Ca 0.10 1.60 0.02 0.00 -0.37 0.00 0.00 57.07 58.42 2q4r s TYR 205 Cb -0.16 -2.97 0.01 0.00 -0.40 0.00 0.00 41.96 38.44 2q4r s TYR 205 CO -0.34 -0.48 -0.09 0.12 -1.57 0.00 0.00 175.55 173.19 2q4r s PHE 206 N -2.05 0.98 -0.13 2.71 5.36 -1.26 -0.89 117.98 122.70 2q4r s PHE 206 Ca 0.64 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 56.35 2q4r s PHE 206 Cb -0.13 -0.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.84 2q4r s PHE 206 CO 0.17 -0.14 -0.14 -0.06 -1.46 0.00 0.00 175.22 173.60 2q4r s PHE 207 N 0.38 2.04 -0.40 10.12 0.08 0.41 0.50 117.98 131.11 2q4r s PHE 207 Ca -0.06 -1.08 0.00 0.00 0.12 0.00 0.00 56.93 55.91 2q4r s PHE 207 Cb -0.11 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 2q4r s PHE 207 CO 0.01 -0.60 0.00 0.41 -0.10 0.00 0.00 175.22 174.94 2q4r n GLY 208 N 4.62 -0.65 3.68 4.36 0.00 -1.19 -0.53 105.19 115.49 2q4r n GLY 208 Ca -0.17 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 7.12 0.19 1.61 -0.00 -1.25 -0.97 116.67 119.37 2q4r s ASP 209 Ca 0.00 1.65 0.05 0.00 -0.00 0.00 0.00 52.55 54.25 2q4r s ASP 209 Cb 0.00 -2.55 0.07 0.00 -0.00 0.00 0.00 42.92 40.44 2q4r s ASP 209 CO 0.00 -0.56 1.44 0.07 -0.00 0.00 0.00 175.17 176.11 2q4r h LYS 210 N 7.40 0.15 0.00 8.23 2.10 -1.88 -3.43 116.57 129.14 2q4r h LYS 210 Ca -0.31 -0.15 -0.32 0.00 -2.00 0.00 0.00 60.65 57.88 2q4r h LYS 210 Cb 1.14 0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 32.44 2q4r h LYS 210 CO 0.89 0.87 -0.27 2.41 -2.00 0.00 0.00 179.45 181.36 2q4r n THR 211 N -3.68 0.00 0.00 0.07 -1.04 -1.26 -2.38 114.28 105.98 2q4r n THR 211 Ca -0.03 -1.36 0.00 0.00 -2.04 0.00 0.00 64.05 60.62 2q4r n THR 211 Cb 0.76 0.50 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 2q4r n THR 211 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2q4r n ASN 216 N -1.77 0.00 -3.33 8.00 4.13 -1.26 -4.83 115.26 116.20 2q4r n ASN 216 Ca -0.03 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.25 2q4r n ASN 216 Cb 0.35 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2q4r s ASP 217 N -2.10 -0.61 -0.44 6.41 -1.08 -1.26 -5.11 116.67 112.47 2q4r s ASP 217 Ca 0.00 0.69 -0.28 0.00 -0.52 0.00 0.00 52.55 52.43 2q4r s ASP 217 Cb 0.00 1.63 0.03 0.00 -1.46 0.00 0.00 42.92 43.12 2q4r s ASP 217 CO 0.00 -0.12 1.09 -1.00 0.52 0.00 0.00 175.17 175.67 2q4r s HIS 218 N 2.59 2.90 0.30 -5.34 3.76 -1.00 -4.92 115.29 113.58 2q4r s HIS 218 Ca -0.00 0.77 0.04 0.00 -0.15 0.00 0.00 55.06 55.71 2q4r s HIS 218 Cb -0.08 -4.22 0.64 0.00 1.11 0.00 0.00 32.58 30.03 2q4r s HIS 218 CO -0.16 -1.14 1.85 0.93 -0.85 0.00 0.00 174.74 175.36 2q4r h GLU 219 N 8.97 0.88 -0.10 1.40 3.07 -1.95 -0.76 114.58 126.09 2q4r h GLU 219 Ca -0.23 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.49 2q4r h GLU 219 Cb 1.06 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2q4r h GLU 219 CO 1.09 0.58 -0.37 0.97 -1.40 0.00 0.00 179.01 179.89 2q4r h ILE 220 N 0.90 1.29 -0.58 3.13 2.10 -1.91 1.03 117.51 123.47 2q4r h ILE 220 Ca 0.48 -1.39 -0.07 0.00 1.08 0.00 0.00 64.86 64.96 2q4r h ILE 220 Cb 0.56 1.62 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 2q4r h ILE 220 CO -0.25 0.41 0.09 0.15 -1.08 0.00 0.00 178.15 177.47 2q4r h PHE 221 N 0.18 0.99 0.00 2.19 3.57 -1.49 -3.12 116.94 119.26 2q4r h PHE 221 Ca 0.02 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2q4r h PHE 221 Cb 0.73 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2q4r h PHE 221 CO 0.01 0.85 -1.36 0.25 -2.23 0.00 0.00 178.31 175.83 2q4r n THR 222 N -4.23 0.08 -1.44 4.41 -2.24 -0.94 -3.99 114.28 105.92 2q4r n THR 222 Ca 0.04 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.16 2q4r n THR 222 Cb 0.27 0.34 0.03 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.96 -1.31 -0.03 3.42 -0.08 0.35 -4.90 116.55 112.04 2q4r n ASP 223 Ca 0.00 0.76 -0.00 0.00 -1.51 0.00 0.00 54.79 54.04 2q4r n ASP 223 Cb 0.46 -1.13 0.28 0.00 2.34 0.00 0.00 41.12 43.08 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 0.31 0.59 0.00 -0.67 0.13 -1.90 -3.10 132.00 127.37 2q4r h PRO 224 Ca -0.44 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2q4r h PRO 224 Cb 1.41 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2q4r h PRO 224 CO 0.47 0.58 0.00 0.54 -0.23 0.00 0.00 178.00 179.36 2q4r n ARG 225 N -4.30 0.19 0.00 0.86 3.00 -1.26 -5.12 116.66 110.03 2q4r n ARG 225 Ca 0.02 0.27 0.00 0.00 -0.01 0.00 0.00 57.85 58.13 2q4r n ARG 225 Cb 0.22 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 30.91 2q4r n ARG 225 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2q4r n THR 226 N -2.11 0.00 0.00 0.55 -2.24 -1.17 -4.16 114.28 105.15 2q4r n THR 226 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2q4r n THR 226 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2q4r n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4r n GLY 228 N 5.00 1.81 3.70 3.38 0.00 -1.26 -4.87 105.19 112.96 2q4r n GLY 228 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2q4r n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4r s TYR 229 N -0.15 2.97 -0.14 1.61 2.02 0.18 -4.89 117.35 118.95 2q4r s TYR 229 Ca 0.00 -0.06 -0.21 0.00 -0.37 0.00 0.00 57.07 56.43 2q4r s TYR 229 Cb 0.00 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2q4r s TYR 229 CO 0.00 0.50 0.60 -1.54 -1.57 0.00 0.00 175.55 173.54 2q4r s SER 230 N -2.67 6.75 -0.21 2.29 1.04 -1.26 -3.17 113.70 116.48 2q4r s SER 230 Ca 0.27 0.91 -0.11 0.00 0.48 0.00 0.00 55.95 57.50 2q4r s SER 230 Cb -0.11 -2.34 0.07 0.00 0.10 0.00 0.00 66.02 63.74 2q4r s SER 230 CO 0.19 -0.16 0.50 0.68 0.98 0.00 0.00 173.24 175.43 2q4r s VAL 231 N 1.29 -0.20 -0.78 5.02 -7.23 -0.14 -4.91 120.40 113.45 2q4r s VAL 231 Ca 0.30 0.08 0.07 0.00 -1.81 0.00 0.00 61.98 60.62 2q4r s VAL 231 Cb -0.16 -0.75 0.13 0.00 0.56 0.00 0.00 36.38 36.17 2q4r s VAL 231 CO 0.12 0.03 0.95 0.35 -0.31 0.00 0.00 175.10 176.25 2q4r n THR 232 N 4.57 0.50 -3.75 5.32 -2.24 -1.26 -3.83 114.28 113.58 2q4r n THR 232 Ca -0.19 -0.75 -0.13 0.00 -2.27 0.00 0.00 64.05 60.71 2q4r n THR 232 Cb 0.55 0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 2q4r n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4r s ALA 233 N -0.81 -0.86 0.49 6.98 0.00 -0.96 -4.60 121.76 122.00 2q4r s ALA 233 Ca 0.12 0.67 0.18 0.00 0.00 0.00 0.00 51.96 52.93 2q4r s ALA 233 Cb 0.07 -0.23 1.23 0.00 0.00 0.00 0.00 23.12 24.18 2q4r s ALA 233 CO 0.10 -0.22 2.05 -1.35 0.00 0.00 0.00 175.76 176.33 2q4r h PRO 234 N 4.62 0.14 -0.00 0.00 0.11 -1.51 -1.19 132.00 134.17 2q4r h PRO 234 Ca -0.28 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 2q4r h PRO 234 Cb 1.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2q4r h PRO 234 CO 0.34 0.09 -0.73 0.93 -0.21 0.00 0.00 178.00 178.43 2q4r h GLU 235 N 0.14 0.03 0.09 1.05 3.07 -1.93 -2.73 114.58 114.30 2q4r h GLU 235 Ca 0.17 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2q4r h GLU 235 Cb 0.49 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2q4r h GLU 235 CO -0.02 0.74 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.82 2q4r h ASP 236 N 0.02 -0.17 -0.98 1.42 3.45 -1.59 -1.38 116.42 117.19 2q4r h ASP 236 Ca -0.01 0.01 0.19 0.00 0.43 0.00 0.00 57.03 57.66 2q4r h ASP 236 Cb 1.28 0.05 -0.09 0.00 -0.56 0.00 0.00 39.33 40.02 2q4r h ASP 236 CO 0.10 -0.11 0.61 0.74 -1.57 0.00 0.00 179.24 179.01 2q4r h THR 237 N -0.16 0.70 -0.02 0.35 2.02 -1.29 -0.92 112.91 113.60 2q4r h THR 237 Ca -0.00 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2q4r h THR 237 Cb 0.14 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2q4r h THR 237 CO -0.00 0.12 0.00 0.03 0.37 0.00 0.00 175.52 176.04 2q4r h ARG 238 N 0.65 0.03 -0.42 6.66 3.08 -1.04 0.41 114.38 123.75 2q4r h ARG 238 Ca 0.54 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.67 2q4r h ARG 238 Cb 0.99 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.95 2q4r h ARG 238 CO -0.31 0.30 -0.14 -0.09 -1.07 0.00 0.00 179.97 178.67 2q4r h ARG 239 N -0.25 -0.05 -0.16 0.04 2.43 -0.16 -1.25 114.38 114.98 2q4r h ARG 239 Ca 0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2q4r h ARG 239 Cb 0.29 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2q4r h ARG 239 CO 0.00 -0.03 -0.35 0.82 -1.51 0.00 0.00 179.97 178.90 2q4r h ILE 240 N -0.05 1.35 -0.52 1.20 2.04 -1.18 -3.15 117.51 117.20 2q4r h ILE 240 Ca 0.20 -1.61 0.14 0.00 1.00 0.00 0.00 64.86 64.59 2q4r h ILE 240 Cb 0.36 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2q4r h ILE 240 CO -0.46 0.49 0.37 0.00 0.00 0.00 0.00 178.15 178.55 2q4r h GLU 242 N 0.08 0.59 0.00 0.00 4.57 -1.19 -2.77 114.58 115.85 2q4r h GLU 242 Ca 0.25 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2q4r h GLU 242 Cb 0.88 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2q4r h GLU 242 CO -0.02 0.43 0.00 1.28 -1.18 0.00 0.00 179.01 179.52 2q4r n LEU 243 N -4.43 0.71 -0.48 1.64 4.32 0.74 -3.98 117.00 115.52 2q4r n LEU 243 Ca 0.03 0.13 0.37 0.00 -0.02 0.00 0.00 56.01 56.53 2q4r n LEU 243 Cb 0.10 0.00 0.58 0.00 -1.62 0.00 0.00 43.42 42.48 2q4r n LEU 243 CO 0.36 0.00 1.05 0.18 -1.22 0.00 0.00 177.39 177.76 2q4r n LEU 244 N -0.25 0.03 0.00 2.23 4.32 -1.16 -4.59 117.00 117.59 2q4r n LEU 244 Ca 0.00 0.79 0.00 0.00 -0.02 0.00 0.00 56.01 56.78 2q4r n LEU 244 Cb 0.00 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 2q4r n LEU 244 CO 0.00 -0.81 0.00 0.49 -1.22 0.00 0.00 177.39 175.85 2q4r n PHE 245 N -3.57 0.00 -0.72 -1.77 3.72 -1.04 -5.13 117.46 108.94 2q4r n PHE 245 Ca 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 2q4r n PHE 245 Cb 1.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.95 2q4r n PHE 245 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16