#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 -0.78 3.76 0.55 0.00 -1.26 -4.31 105.19 103.15 2q4r n GLY 5 Ca 0.00 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.81 2.70 -4.30 1.61 -0.02 -1.26 -4.73 135.00 127.19 2q4r n PRO 6 Ca 0.00 0.95 -0.16 0.00 -2.02 0.00 0.00 63.50 62.28 2q4r n PRO 6 Cb 0.15 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 30.81 2q4r n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4r s ALA 7 N -0.55 1.67 -0.01 3.55 0.00 -1.26 0.14 121.76 125.29 2q4r s ALA 7 Ca 0.59 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2q4r s ALA 7 Cb -0.48 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2q4r s ALA 7 CO 0.56 -0.21 -0.01 -1.17 0.00 0.00 0.00 175.76 174.92 2q4r s LEU 8 N -3.26 1.63 -0.34 0.00 2.96 -0.98 -2.61 118.68 116.09 2q4r s LEU 8 Ca 0.25 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2q4r s LEU 8 Cb 0.05 -0.18 0.05 0.00 0.50 0.00 0.00 46.19 46.62 2q4r s LEU 8 CO 0.06 -0.03 0.09 0.00 -1.32 0.00 0.00 176.35 175.15 2q4r s LEU 10 N 1.32 4.38 0.05 0.00 1.43 0.18 -0.53 118.68 125.51 2q4r s LEU 10 Ca -0.02 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 53.73 2q4r s LEU 10 Cb -0.20 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 2q4r s LEU 10 CO 0.00 0.28 -0.16 -0.36 0.23 0.00 0.00 176.35 176.35 2q4r s PHE 11 N -1.24 1.42 0.76 0.29 0.08 0.28 0.99 117.98 120.56 2q4r s PHE 11 Ca 0.25 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.81 2q4r s PHE 11 Cb -0.13 -0.83 0.04 0.00 -0.57 0.00 0.00 43.02 41.53 2q4r s PHE 11 CO 0.14 0.07 1.10 0.34 -0.10 0.00 0.00 175.22 176.77 2q4r s ASP 12 N -1.28 4.95 0.00 1.36 3.68 -0.55 0.28 116.67 125.11 2q4r s ASP 12 Ca 0.03 1.17 0.00 0.00 2.13 0.00 0.00 52.55 55.88 2q4r s ASP 12 Cb -0.08 -1.92 0.00 0.00 -1.45 0.00 0.00 42.92 39.47 2q4r s ASP 12 CO 0.02 -1.66 0.00 0.52 0.13 0.00 0.00 175.17 174.18 2q4r n VAL 13 N -3.22 0.00 -1.72 1.11 0.31 0.38 -3.75 118.33 111.44 2q4r n VAL 13 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.97 2q4r n VAL 13 Cb 0.57 -0.11 -0.02 0.00 -0.91 0.00 0.00 33.84 33.36 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2q4r n ASP 14 N -0.06 3.70 0.00 4.52 2.03 -1.26 -1.01 116.55 124.47 2q4r n ASP 14 Ca 0.00 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2q4r n ASP 14 Cb 0.00 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 38.85 2q4r n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q4r n GLY 15 N 2.76 2.18 0.21 0.27 0.00 -0.81 -4.69 105.19 105.11 2q4r n GLY 15 Ca 0.12 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.61 0.00 2.61 2.02 -1.68 -3.31 112.91 113.16 2q4r h THR 16 Ca 0.00 -0.60 -0.28 0.00 0.77 0.00 0.00 66.41 66.29 2q4r h THR 16 Cb 0.00 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 2q4r h THR 16 CO 0.00 0.11 -2.07 0.18 0.37 0.00 0.00 175.52 174.10 2q4r n LEU 17 N -5.14 1.00 -4.94 2.58 4.77 -0.18 -3.92 117.00 111.17 2q4r n LEU 17 Ca -0.10 -0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.65 2q4r n LEU 17 Cb 0.27 0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2q4r n LEU 17 CO 0.29 0.53 0.09 0.42 -1.33 0.00 0.00 177.39 177.40 2q4r s THR 18 N -2.38 2.54 0.22 -5.08 -4.23 -1.11 -4.65 115.64 100.96 2q4r s THR 18 Ca -0.14 -1.23 -0.27 0.00 -1.18 0.00 0.00 61.69 58.87 2q4r s THR 18 Cb 0.05 -2.77 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 2q4r s THR 18 CO 0.57 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 175.52 2q4r s ALA 19 N -2.51 3.37 -0.83 3.99 0.00 -1.25 -1.92 121.76 122.61 2q4r s ALA 19 Ca 0.50 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 2q4r s ALA 19 Cb -0.05 -3.09 -0.17 0.00 0.00 0.00 0.00 23.12 19.80 2q4r s ALA 19 CO 0.30 0.24 2.59 -2.30 0.00 0.00 0.00 175.76 176.59 2q4r n PRO 20 N 1.39 0.35 -1.91 0.00 -0.02 -1.26 -1.05 135.00 132.50 2q4r n PRO 20 Ca -0.03 -0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 2q4r n PRO 20 Cb 0.48 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 2q4r n PRO 20 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2q4r n ARG 21 N 8.60 -0.48 -3.55 -0.52 0.63 -1.26 -5.03 116.66 115.04 2q4r n ARG 21 Ca 0.56 0.10 -0.15 0.00 -0.92 0.00 0.00 57.85 57.44 2q4r n ARG 21 Cb 0.21 -2.39 -0.06 0.00 0.45 0.00 0.00 32.46 30.67 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2q4r s GLN 22 N -3.60 0.87 0.70 -0.14 -0.21 -0.21 -5.16 119.66 111.90 2q4r s GLN 22 Ca 0.03 0.26 -0.16 0.00 0.02 0.00 0.00 55.36 55.51 2q4r s GLN 22 Cb -0.00 0.41 0.02 0.00 1.00 0.00 0.00 33.01 34.44 2q4r s GLN 22 CO 0.09 -0.26 1.20 0.21 -2.12 0.00 0.00 175.29 174.40 2q4r s LYS 23 N -1.06 2.36 0.69 2.91 2.20 -1.26 -3.92 119.74 121.66 2q4r s LYS 23 Ca -0.07 1.72 -0.17 0.00 -0.36 0.00 0.00 55.97 57.10 2q4r s LYS 23 Cb -0.00 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 2q4r s LYS 23 CO 0.06 -1.65 1.11 1.51 -0.36 0.00 0.00 175.35 176.02 2q4r n ILE 24 N -2.49 3.67 -3.22 5.43 3.06 1.47 -4.60 119.36 122.69 2q4r n ILE 24 Ca 0.13 -0.42 -0.30 0.00 -2.50 0.00 0.00 62.75 59.66 2q4r n ILE 24 Cb 0.50 -1.26 -0.04 0.00 0.54 0.00 0.00 39.64 39.38 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 -1.65 4.90 0.11 9.51 2.01 -1.26 -4.96 115.64 124.31 2q4r s THR 25 Ca 0.77 0.40 -0.18 0.00 0.31 0.00 0.00 61.69 62.99 2q4r s THR 25 Cb -0.36 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2q4r s THR 25 CO 0.46 -0.29 1.68 0.50 -0.69 0.00 0.00 174.62 176.28 2q4r h LYS 26 N 1.87 0.40 0.00 4.92 3.11 -2.01 0.88 116.57 125.74 2q4r h LYS 26 Ca -0.47 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.30 2q4r h LYS 26 Cb 1.18 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 2q4r h LYS 26 CO 0.66 0.40 0.00 -1.91 -2.81 0.00 0.00 179.45 175.79 2q4r n GLU 27 N -4.79 0.00 0.00 1.90 2.13 -1.26 -0.91 120.64 117.71 2q4r n GLU 27 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2q4r n GLU 27 Cb 0.11 -0.94 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 0.19 0.00 0.32 4.31 2.03 0.30 -1.45 116.55 122.26 2q4r n ASP 29 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2q4r n ASP 29 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.70 -0.89 1.67 5.19 -1.27 -1.41 116.42 119.01 2q4r h ASP 30 Ca 0.00 0.02 0.24 0.00 -0.62 0.00 0.00 57.03 56.68 2q4r h ASP 30 Cb 0.00 0.18 -0.14 0.00 0.18 0.00 0.00 39.33 39.55 2q4r h ASP 30 CO 0.00 -0.46 0.26 0.15 -3.12 0.00 0.00 179.24 176.07 2q4r h PHE 31 N -0.91 0.39 -0.47 4.55 3.57 -1.52 0.63 116.94 123.18 2q4r h PHE 31 Ca -0.08 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 2q4r h PHE 31 Cb 0.63 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2q4r h PHE 31 CO 0.06 -0.22 0.07 -0.07 -2.23 0.00 0.00 178.31 175.93 2q4r h LEU 32 N 0.21 0.75 -1.32 0.59 3.38 -1.81 0.24 115.31 117.35 2q4r h LEU 32 Ca 0.57 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 2q4r h LEU 32 Cb 1.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2q4r h LEU 32 CO -0.66 0.82 -0.11 1.56 0.09 0.00 0.00 178.44 180.14 2q4r h GLN 33 N 0.65 0.33 -0.38 1.13 1.08 0.20 0.43 115.11 118.55 2q4r h GLN 33 Ca 0.14 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 57.12 2q4r h GLN 33 Cb 0.39 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2q4r h GLN 33 CO 0.01 0.45 -0.33 -0.22 -0.95 0.00 0.00 178.83 177.78 2q4r h LYS 34 N 0.31 0.85 -0.32 1.46 3.64 -0.74 -3.03 116.57 118.74 2q4r h LYS 34 Ca 0.06 -0.41 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 2q4r h LYS 34 Cb 0.39 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2q4r h LYS 34 CO 0.02 1.05 -0.19 1.25 -2.27 0.00 0.00 179.45 179.31 2q4r h LEU 35 N 0.71 0.72 -2.42 5.20 5.85 0.18 -2.95 115.31 122.60 2q4r h LEU 35 Ca 0.07 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2q4r h LEU 35 Cb 0.89 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2q4r h LEU 35 CO 0.08 0.99 0.18 -0.09 -0.34 0.00 0.00 178.44 179.26 2q4r h ARG 36 N 0.46 0.00 -0.55 1.25 2.43 -0.10 -2.69 114.38 115.18 2q4r h ARG 36 Ca 0.07 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 2q4r h ARG 36 Cb 0.74 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 2q4r h ARG 36 CO 0.05 0.00 -0.03 1.96 -1.51 0.00 0.00 179.97 180.44 2q4r h GLN 37 N 0.00 0.08 0.00 0.20 1.08 -1.40 -3.37 115.11 111.70 2q4r h GLN 37 Ca 0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2q4r h GLN 37 Cb 0.38 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2q4r h GLN 37 CO -0.00 0.06 -0.56 0.36 -0.95 0.00 0.00 178.83 177.74 2q4r n LYS 38 N -5.28 0.29 -3.00 1.46 0.00 -1.03 -4.98 118.16 105.62 2q4r n LYS 38 Ca 0.07 0.12 -0.39 0.00 -0.00 0.00 0.00 58.31 58.10 2q4r n LYS 38 Cb 0.30 -0.99 -0.06 0.00 -0.00 0.00 0.00 35.03 34.28 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 -2.15 4.48 0.29 0.58 2.07 -1.11 -4.97 121.20 120.40 2q4r s ILE 39 Ca -0.16 1.66 -0.29 0.00 -1.41 0.00 0.00 60.65 60.44 2q4r s ILE 39 Cb 0.02 -4.12 -0.10 0.00 0.13 0.00 0.00 42.46 38.40 2q4r s ILE 39 CO 0.24 0.48 1.25 -0.54 -1.91 0.00 0.00 174.94 174.47 2q4r s LYS 40 N -0.86 4.44 -0.11 3.50 -0.14 -1.07 -3.74 119.74 121.76 2q4r s LYS 40 Ca 0.36 2.08 0.02 0.00 -1.36 0.00 0.00 55.97 57.07 2q4r s LYS 40 Cb -0.22 -3.13 0.01 0.00 -1.68 0.00 0.00 37.83 32.81 2q4r s LYS 40 CO 0.25 -0.10 -0.16 0.96 -0.76 0.00 0.00 175.35 175.54 2q4r s ILE 41 N -0.88 1.55 0.34 2.17 -4.36 -1.26 -0.43 121.20 118.32 2q4r s ILE 41 Ca 0.49 -0.68 0.06 0.00 -0.26 0.00 0.00 60.65 60.27 2q4r s ILE 41 Cb -0.37 -1.41 -0.07 0.00 1.25 0.00 0.00 42.46 41.86 2q4r s ILE 41 CO 0.47 0.45 -0.01 -0.83 0.24 0.00 0.00 174.94 175.26 2q4r s GLY 42 N 0.93 2.14 0.01 6.27 0.00 0.31 -1.30 107.32 115.69 2q4r s GLY 42 Ca -0.07 -2.09 0.01 0.00 0.00 0.00 0.00 44.72 42.57 2q4r s GLY 42 CO -0.01 -1.93 -0.05 -1.34 0.00 0.00 0.00 173.10 169.77 2q4r s VAL 43 N -2.96 0.34 0.06 1.40 -7.23 -0.93 -0.56 120.40 110.52 2q4r s VAL 43 Ca 0.34 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.14 2q4r s VAL 43 Cb 0.07 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.64 2q4r s VAL 43 CO 0.15 -0.03 -0.05 0.54 -0.31 0.00 0.00 175.10 175.40 2q4r s VAL 44 N -0.40 0.44 0.00 1.32 0.11 0.81 0.38 120.40 123.06 2q4r s VAL 44 Ca -0.02 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.46 2q4r s VAL 44 Cb -0.04 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 2q4r s VAL 44 CO -0.00 -0.76 0.00 0.61 -3.33 0.00 0.00 175.10 171.62 2q4r n GLY 45 N 0.54 0.48 0.00 6.54 0.00 -0.77 -0.47 105.19 111.51 2q4r n GLY 45 Ca -0.17 -0.80 0.14 0.00 0.00 0.00 0.00 46.02 45.19 2q4r n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q4r n GLY 46 N -0.06 -1.42 3.70 -0.02 0.00 -1.26 -1.66 105.19 104.48 2q4r n GLY 46 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2q4r n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q4r n SER 47 N -1.45 2.11 -4.59 1.61 7.64 -1.26 -3.99 113.62 113.69 2q4r n SER 47 Ca 0.08 0.95 -0.29 0.00 1.01 0.00 0.00 58.87 60.62 2q4r n SER 47 Cb 0.31 -1.51 0.13 0.00 -1.01 0.00 0.00 64.21 62.12 2q4r n SER 47 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2q4r s ASP 48 N -0.97 3.98 0.13 6.43 -4.77 -1.26 0.00 116.67 120.21 2q4r s ASP 48 Ca 0.72 0.49 -0.28 0.00 -3.30 0.00 0.00 52.55 50.17 2q4r s ASP 48 Cb -0.43 -0.82 -0.06 0.00 -1.09 0.00 0.00 42.92 40.52 2q4r s ASP 48 CO 0.49 -2.20 1.60 0.15 0.70 0.00 0.00 175.17 175.92 2q4r h PHE 49 N -1.22 -1.02 0.00 2.11 3.57 -1.94 -1.29 116.94 117.16 2q4r h PHE 49 Ca -0.45 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 2q4r h PHE 49 Cb 1.29 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 40.48 2q4r h PHE 49 CO -0.29 -0.45 -0.04 1.05 -2.23 0.00 0.00 178.31 176.35 2q4r h GLU 50 N -0.50 0.00 -0.00 1.11 -0.00 -2.01 -1.85 114.58 111.32 2q4r h GLU 50 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.25 2q4r h GLU 50 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.33 2q4r h GLU 50 CO -0.31 0.04 -0.81 -0.22 -0.00 0.00 0.00 179.01 177.72 2q4r h LYS 51 N 0.00 0.07 -0.16 1.06 1.63 -1.63 -3.10 116.57 114.44 2q4r h LYS 51 Ca -0.00 -0.07 -0.22 0.00 -0.85 0.00 0.00 60.65 59.51 2q4r h LYS 51 Cb 0.10 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2q4r h LYS 51 CO 0.01 0.84 -0.74 0.28 -3.45 0.00 0.00 179.45 176.38 2q4r h VAL 52 N 0.04 1.28 -0.68 2.00 2.07 -0.47 -3.07 116.25 117.41 2q4r h VAL 52 Ca -0.02 -1.94 0.05 0.00 0.82 0.00 0.00 66.70 65.61 2q4r h VAL 52 Cb 1.42 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 33.10 2q4r h VAL 52 CO 0.11 0.62 0.40 1.56 0.02 0.00 0.00 177.57 180.28 2q4r h GLN 53 N 0.52 0.74 -0.93 1.57 4.20 -1.53 0.45 115.11 120.13 2q4r h GLN 53 Ca -0.05 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.70 2q4r h GLN 53 Cb 1.37 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.92 2q4r h GLN 53 CO 0.15 0.49 0.58 0.93 -0.67 0.00 0.00 178.83 180.31 2q4r h GLU 54 N 0.76 0.97 0.17 1.46 5.08 -1.53 0.73 114.58 122.23 2q4r h GLU 54 Ca 0.29 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.36 2q4r h GLU 54 Cb 0.11 -0.22 0.03 0.00 0.50 0.00 0.00 28.75 29.17 2q4r h GLU 54 CO -0.15 0.64 -1.03 1.96 -1.00 0.00 0.00 179.01 179.43 2q4r h GLN 55 N 1.00 0.37 -0.38 2.33 4.20 -1.18 -3.38 115.11 118.08 2q4r h GLN 55 Ca 0.43 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2q4r h GLN 55 Cb 0.29 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2q4r h GLN 55 CO -0.21 1.30 0.00 1.28 -0.67 0.00 0.00 178.83 180.53 2q4r n LEU 56 N -4.00 4.18 0.00 1.46 4.77 0.15 0.43 117.00 123.99 2q4r n LEU 56 Ca -0.15 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 2q4r n LEU 56 Cb 0.91 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2q4r n LEU 56 CO 0.52 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 2q4r n GLY 57 N 0.04 -1.48 0.29 -0.72 0.00 0.25 -4.23 105.19 99.35 2q4r n GLY 57 Ca 0.22 -1.46 0.19 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.55 1.61 2.35 -1.93 -2.51 115.58 114.55 2q4r h ASN 58 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 2q4r h ASN 58 Cb 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.28 2q4r h ASN 58 CO 0.00 0.00 0.20 -0.90 -1.65 0.00 0.00 177.43 175.09 2q4r n ASP 59 N -3.10 4.10 -0.28 5.81 5.75 -1.26 -4.66 116.55 122.90 2q4r n ASP 59 Ca -0.00 -2.89 0.04 0.00 -0.01 0.00 0.00 54.79 51.93 2q4r n ASP 59 Cb 0.24 -0.68 0.13 0.00 -1.03 0.00 0.00 41.12 39.78 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 2.01 0.21 0.00 2.12 3.04 -1.62 0.20 116.25 122.22 2q4r h VAL 60 Ca 0.20 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.88 2q4r h VAL 60 Cb 1.92 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 2q4r h VAL 60 CO 0.55 0.01 0.00 1.33 -1.01 0.00 0.00 177.57 178.45 2q4r n VAL 61 N -5.47 1.04 -0.03 1.51 0.24 -1.26 -1.55 118.33 112.81 2q4r n VAL 61 Ca 0.13 0.26 0.04 0.00 -2.04 0.00 0.00 64.34 62.74 2q4r n VAL 61 Cb 0.46 -1.20 -0.14 0.00 -1.47 0.00 0.00 33.84 31.49 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 -1.29 0.74 0.10 7.34 1.02 0.70 -2.39 120.64 126.86 2q4r n GLU 62 Ca 0.02 -0.12 0.06 0.00 -0.02 0.00 0.00 57.16 57.10 2q4r n GLU 62 Cb 0.03 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 -6.20 3.49 1.79 -1.16 -3.47 116.57 111.02 2q4r h LYS 63 Ca -0.13 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.75 2q4r h LYS 63 Cb 1.18 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.59 2q4r h LYS 63 CO 0.01 0.17 -0.84 0.71 -1.08 0.00 0.00 179.45 178.41 2q4r s TYR 64 N -3.14 1.87 0.28 -1.35 2.02 -1.11 -4.84 117.35 111.09 2q4r s TYR 64 Ca 0.00 -0.39 0.14 0.00 -0.37 0.00 0.00 57.07 56.46 2q4r s TYR 64 Cb 0.08 -1.08 0.62 0.00 -0.40 0.00 0.00 41.96 41.18 2q4r s TYR 64 CO 0.77 0.15 1.74 -0.44 -1.57 0.00 0.00 175.55 176.20 2q4r h ASP 65 N 4.54 0.00 -3.97 2.29 3.32 -1.53 -3.41 116.42 117.66 2q4r h ASP 65 Ca -0.44 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.30 2q4r h ASP 65 Cb 1.17 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.44 2q4r h ASP 65 CO 0.42 0.45 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.33 2q4r s TYR 66 N -3.82 0.43 -0.14 4.55 2.02 -1.25 -1.43 117.35 117.72 2q4r s TYR 66 Ca -0.01 -0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.56 2q4r s TYR 66 Cb 0.13 -0.28 0.04 0.00 -0.40 0.00 0.00 41.96 41.45 2q4r s TYR 66 CO 0.72 -0.01 -0.04 0.08 -1.57 0.00 0.00 175.55 174.72 2q4r s VAL 67 N -0.22 0.92 -0.64 0.71 1.01 -0.63 -2.20 120.40 119.35 2q4r s VAL 67 Ca 0.01 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.63 2q4r s VAL 67 Cb -0.02 -1.08 0.27 0.00 0.00 0.00 0.00 36.38 35.54 2q4r s VAL 67 CO -0.00 0.18 0.80 0.49 0.00 0.00 0.00 175.10 176.57 2q4r n PHE 68 N 4.95 3.72 -1.57 5.22 3.72 0.16 -1.73 117.46 131.93 2q4r n PHE 68 Ca -0.11 -4.10 -0.30 0.00 -0.05 0.00 0.00 57.45 52.90 2q4r n PHE 68 Cb 0.49 -0.56 0.10 0.00 -0.94 0.00 0.00 39.48 38.57 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 -2.69 1.88 -1.52 -1.08 0.02 -1.11 -1.84 135.00 128.65 2q4r s PRO 69 Ca 0.42 0.54 -0.11 0.00 0.02 0.00 0.00 61.00 61.87 2q4r s PRO 69 Cb 0.17 -1.90 0.08 0.00 0.02 0.00 0.00 34.50 32.87 2q4r s PRO 69 CO -0.03 -1.74 0.82 0.39 -0.33 0.00 0.00 177.00 176.10 2q4r n GLU 70 N -3.50 -4.60 -2.84 5.54 1.02 0.10 -1.08 120.64 115.27 2q4r n GLU 70 Ca 0.07 0.52 -0.21 0.00 -0.02 0.00 0.00 57.16 57.52 2q4r n GLU 70 Cb 0.57 -5.22 0.02 0.00 -0.02 0.00 0.00 31.44 26.79 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 -2.85 -5.93 0.00 1.62 5.03 -0.91 -1.20 115.26 111.02 2q4r n ASN 71 Ca -0.05 -0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.18 2q4r n ASN 71 Cb 0.56 -4.79 0.00 0.00 -1.02 0.00 0.00 39.78 34.53 2q4r n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2q4r n GLY 72 N -1.39 0.37 0.26 7.41 0.00 -0.25 -3.22 105.19 108.38 2q4r n GLY 72 Ca -0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -8.10 0.99 3.38 -1.08 -3.36 115.31 107.14 2q4r h LEU 73 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2q4r h LEU 73 Cb 0.30 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.70 2q4r h LEU 73 CO 0.00 0.08 -0.86 -0.69 0.09 0.00 0.00 178.44 177.06 2q4r s VAL 74 N -3.72 2.03 0.02 1.22 1.01 -1.13 -2.43 120.40 117.40 2q4r s VAL 74 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2q4r s VAL 74 Cb 0.10 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2q4r s VAL 74 CO 0.57 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 176.14 2q4r s ALA 75 N 1.13 0.52 0.07 5.51 0.00 -1.16 -2.77 121.76 125.06 2q4r s ALA 75 Ca 0.01 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2q4r s ALA 75 Cb -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 2q4r s ALA 75 CO -0.09 0.06 -0.13 0.71 0.00 0.00 0.00 175.76 176.31 2q4r s TYR 76 N -0.67 1.09 -0.12 0.00 2.02 -0.71 -0.83 117.35 118.13 2q4r s TYR 76 Ca -0.03 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.14 2q4r s TYR 76 Cb -0.06 -0.62 0.06 0.00 -0.40 0.00 0.00 41.96 40.94 2q4r s TYR 76 CO 0.00 0.02 0.25 0.21 -1.57 0.00 0.00 175.55 174.47 2q4r s LYS 77 N -1.77 0.18 -1.77 -0.62 2.20 -0.98 -1.61 119.74 115.37 2q4r s LYS 77 Ca -0.03 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2q4r s LYS 77 Cb -0.10 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 2q4r s LYS 77 CO 0.02 -0.23 0.00 -0.25 -0.36 0.00 0.00 175.35 174.53 2q4r n ASP 78 N 4.80 -5.17 0.00 1.43 10.43 -0.51 -1.97 116.55 125.55 2q4r n ASP 78 Ca -0.15 0.41 0.00 0.00 2.57 0.00 0.00 54.79 57.62 2q4r n ASP 78 Cb 0.51 -4.14 0.00 0.00 1.84 0.00 0.00 41.12 39.33 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 -0.71 0.66 3.32 0.44 0.00 -1.00 -4.97 105.19 102.92 2q4r n GLY 79 Ca -0.17 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.74 2.24 0.15 1.61 2.20 -0.83 -4.95 119.74 119.43 2q4r s LYS 80 Ca 0.00 -0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 54.40 2q4r s LYS 80 Cb 0.00 -2.10 -0.11 0.00 -1.51 0.00 0.00 37.83 34.11 2q4r s LYS 80 CO 0.00 0.53 1.80 -1.17 -0.36 0.00 0.00 175.35 176.15 2q4r s LEU 81 N -0.53 4.39 -0.14 5.43 0.20 -1.26 -2.32 118.68 124.45 2q4r s LEU 81 Ca 0.07 2.81 -0.15 0.00 0.69 0.00 0.00 54.13 57.55 2q4r s LEU 81 Cb -0.11 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 2q4r s LEU 81 CO 0.00 -1.00 -0.30 -0.11 -0.29 0.00 0.00 176.35 174.65 2q4r n LEU 82 N 5.11 1.80 -4.06 -0.68 7.94 -0.01 -4.95 117.00 122.16 2q4r n LEU 82 Ca 0.17 0.30 -0.08 0.00 -1.11 0.00 0.00 56.01 55.29 2q4r n LEU 82 Cb 0.37 -0.68 -0.09 0.00 0.53 0.00 0.00 43.42 43.55 2q4r n LEU 82 CO 0.65 -0.29 -0.29 0.00 -1.11 0.00 0.00 177.39 176.35 2q4r s ARG 84 N -3.94 0.97 0.06 0.00 0.52 -1.24 -3.01 118.95 112.31 2q4r s ARG 84 Ca 0.10 -1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 53.93 2q4r s ARG 84 Cb 0.07 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 2q4r s ARG 84 CO -0.08 -1.33 0.22 -1.14 0.02 0.00 0.00 175.30 172.99 2q4r s GLN 85 N 0.68 3.45 0.27 3.54 2.00 -1.02 -5.05 119.66 123.53 2q4r s GLN 85 Ca 0.29 -0.40 0.02 0.00 -2.00 0.00 0.00 55.36 53.27 2q4r s GLN 85 Cb -0.00 -3.04 -0.05 0.00 0.80 0.00 0.00 33.01 30.72 2q4r s GLN 85 CO -0.10 0.61 0.09 0.54 -0.50 0.00 0.00 175.29 175.93 2q4r s ASN 86 N -2.43 1.44 0.20 6.67 2.20 -1.26 -4.83 114.94 116.94 2q4r s ASN 86 Ca 0.34 -1.40 -0.04 0.00 -0.94 0.00 0.00 52.86 50.83 2q4r s ASN 86 Cb -0.13 0.13 0.15 0.00 -2.00 0.00 0.00 41.25 39.41 2q4r s ASN 86 CO 0.27 -0.72 1.56 -0.29 -2.94 0.00 0.00 177.10 174.98 2q4r h ILE 87 N 2.32 1.29 -0.33 0.54 2.10 0.17 -3.22 117.51 120.38 2q4r h ILE 87 Ca -0.38 -1.58 0.05 0.00 1.08 0.00 0.00 64.86 64.02 2q4r h ILE 87 Cb 1.25 1.52 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 2q4r h ILE 87 CO 0.62 0.50 0.22 0.06 -1.08 0.00 0.00 178.15 178.48 2q4r h GLN 88 N 0.53 0.24 0.00 2.19 -0.00 -1.91 -0.21 115.11 115.95 2q4r h GLN 88 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 2q4r h GLN 88 Cb 0.93 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.35 2q4r h GLN 88 CO 0.08 0.16 -0.04 0.43 -0.00 0.00 0.00 178.83 179.47 2q4r n SER 89 N -4.48 0.14 -0.09 0.06 7.64 -1.22 -3.13 113.62 112.54 2q4r n SER 89 Ca 0.04 0.46 -0.13 0.00 1.01 0.00 0.00 58.87 60.24 2q4r n SER 89 Cb 0.22 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 2q4r n SER 89 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2q4r n HIS 90 N -1.60 0.96 0.13 1.43 -0.00 -0.12 -4.59 115.22 111.43 2q4r n HIS 90 Ca 0.07 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 2q4r n HIS 90 Cb 0.35 -0.94 0.04 0.00 -0.00 0.00 0.00 29.99 29.44 2q4r n HIS 90 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2q4r h LEU 91 N -1.00 0.00 0.00 0.27 3.38 -1.64 -3.50 115.31 112.81 2q4r h LEU 91 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2q4r h LEU 91 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2q4r h LEU 91 CO -0.11 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.65 2q4r n GLY 92 N 1.09 0.90 0.25 0.83 0.00 -1.18 -4.51 105.19 102.57 2q4r n GLY 92 Ca 0.01 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.86 0.32 1.61 4.39 -1.98 -3.06 114.58 116.73 2q4r h GLU 93 Ca 0.00 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 2q4r h GLU 93 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2q4r h GLU 93 CO 0.00 0.97 -0.27 0.00 -1.16 0.00 0.00 179.01 178.55 2q4r h ALA 94 N 0.87 -0.60 -0.25 3.43 0.00 -1.99 -2.15 119.26 118.57 2q4r h ALA 94 Ca 0.11 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2q4r h ALA 94 Cb 0.66 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2q4r h ALA 94 CO 0.05 -0.86 -0.11 1.25 0.00 0.00 0.00 179.25 179.58 2q4r h LEU 95 N -0.60 -0.36 -0.85 0.00 5.85 -1.79 -0.67 115.31 116.89 2q4r h LEU 95 Ca -0.02 0.09 0.22 0.00 0.84 0.00 0.00 57.88 59.01 2q4r h LEU 95 Cb 0.53 0.21 -0.14 0.00 0.37 0.00 0.00 40.66 41.63 2q4r h LEU 95 CO -0.02 -0.14 0.13 0.40 -0.34 0.00 0.00 178.44 178.48 2q4r h ILE 96 N -0.07 0.29 -0.15 4.05 1.08 -1.40 0.18 117.51 121.50 2q4r h ILE 96 Ca 0.13 -0.05 -0.18 0.00 -0.39 0.00 0.00 64.86 64.37 2q4r h ILE 96 Cb 0.26 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.14 2q4r h ILE 96 CO -0.30 0.03 -0.64 1.56 -0.69 0.00 0.00 178.15 178.11 2q4r h GLN 97 N 0.15 0.55 -0.63 2.37 4.20 -0.59 -0.23 115.11 120.94 2q4r h GLN 97 Ca 0.51 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 2q4r h GLN 97 Cb 0.99 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.81 2q4r h GLN 97 CO -0.69 1.01 0.17 -0.44 -0.67 0.00 0.00 178.83 178.21 2q4r h ASP 98 N 0.40 0.90 -0.09 1.46 3.45 0.48 0.27 116.42 123.30 2q4r h ASP 98 Ca -0.01 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 2q4r h ASP 98 Cb 1.20 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 39.73 2q4r h ASP 98 CO 0.12 0.86 -0.02 -0.07 -1.57 0.00 0.00 179.24 178.56 2q4r h LEU 99 N 0.93 0.17 0.46 1.55 3.38 -0.53 -2.01 115.31 119.26 2q4r h LEU 99 Ca 0.20 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2q4r h LEU 99 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2q4r h LEU 99 CO -0.00 0.50 -0.22 0.40 0.09 0.00 0.00 178.44 179.20 2q4r h ILE 100 N -0.15 0.53 -0.50 1.22 2.04 -0.84 -1.79 117.51 118.01 2q4r h ILE 100 Ca 0.02 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.73 2q4r h ILE 100 Cb 0.42 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2q4r h ILE 100 CO 0.01 0.04 0.04 0.78 0.00 0.00 0.00 178.15 179.02 2q4r h ASN 101 N -0.77 -0.13 0.12 1.72 2.35 -0.54 0.75 115.58 119.08 2q4r h ASN 101 Ca -0.06 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2q4r h ASN 101 Cb 0.54 0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.06 2q4r h ASN 101 CO 0.10 -0.04 -0.31 0.22 -1.65 0.00 0.00 177.43 175.76 2q4r h TYR 102 N 0.16 -0.83 -0.52 1.19 3.20 -1.28 -1.25 116.97 117.64 2q4r h TYR 102 Ca 0.26 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.15 2q4r h TYR 102 Cb 0.38 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 2q4r h TYR 102 CO -0.28 -0.41 0.34 0.00 -1.64 0.00 0.00 178.16 176.17 2q4r h LEU 104 N 0.69 -0.10 -0.06 0.00 3.38 -0.63 -0.11 115.31 118.49 2q4r h LEU 104 Ca 0.19 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2q4r h LEU 104 Cb -0.07 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2q4r h LEU 104 CO -0.05 -0.01 0.01 0.28 0.09 0.00 0.00 178.44 178.76 2q4r h SER 105 N 0.10 0.01 0.27 -0.43 0.02 -0.93 -2.42 113.55 110.17 2q4r h SER 105 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2q4r h SER 105 Cb 0.19 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2q4r h SER 105 CO -0.23 0.02 -0.46 0.22 -1.14 0.00 0.00 176.83 175.24 2q4r h TYR 106 N 0.04 -1.28 -0.98 3.45 3.20 -0.53 -1.85 116.97 119.02 2q4r h TYR 106 Ca 0.03 0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.17 2q4r h TYR 106 Cb 0.02 0.52 -0.13 0.00 1.54 0.00 0.00 36.73 38.68 2q4r h TYR 106 CO -0.10 -0.58 0.55 0.82 -1.64 0.00 0.00 178.16 177.22 2q4r h ILE 107 N -0.80 0.49 -0.07 1.81 2.04 -0.97 0.94 117.51 120.95 2q4r h ILE 107 Ca -0.02 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2q4r h ILE 107 Cb 0.76 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2q4r h ILE 107 CO -0.17 0.09 0.06 0.00 0.00 0.00 0.00 178.15 178.13 2q4r h ALA 108 N 1.75 1.80 0.00 1.87 0.00 -0.82 -2.00 119.26 121.86 2q4r h ALA 108 Ca 0.64 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.40 2q4r h ALA 108 Cb 1.27 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2q4r h ALA 108 CO -0.51 -0.10 -1.19 0.87 0.00 0.00 0.00 179.25 178.32 2q4r h LYS 109 N 0.00 0.00 -6.23 0.00 1.57 0.11 -3.46 116.57 108.56 2q4r h LYS 109 Ca 0.03 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.26 2q4r h LYS 109 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2q4r h LYS 109 CO -0.00 0.35 1.04 0.42 -0.57 0.00 0.00 179.45 180.70 2q4r s ILE 110 N -2.93 3.78 -0.26 1.86 1.01 -0.75 -4.97 121.20 118.93 2q4r s ILE 110 Ca -0.01 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.38 2q4r s ILE 110 Cb 0.08 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2q4r s ILE 110 CO 0.80 -0.11 0.63 -0.54 0.00 0.00 0.00 174.94 175.72 2q4r s LYS 111 N 3.96 4.07 0.26 2.79 -0.14 -1.26 -5.00 119.74 124.42 2q4r s LYS 111 Ca 0.68 0.50 0.02 0.00 -1.36 0.00 0.00 55.97 55.81 2q4r s LYS 111 Cb -0.29 -3.67 -0.05 0.00 -1.68 0.00 0.00 37.83 32.14 2q4r s LYS 111 CO 0.25 -0.44 0.06 -0.51 -0.76 0.00 0.00 175.35 173.95 2q4r s LEU 112 N 2.53 1.90 0.39 3.17 1.43 -1.26 -5.03 118.68 121.81 2q4r s LEU 112 Ca 0.26 -1.33 0.23 0.00 -1.03 0.00 0.00 54.13 52.27 2q4r s LEU 112 Cb -0.15 -0.13 0.40 0.00 0.03 0.00 0.00 46.19 46.34 2q4r s LEU 112 CO 0.09 -0.65 1.61 1.55 0.23 0.00 0.00 176.35 179.19 2q4r h PRO 113 N 2.38 0.00 -3.16 1.29 0.13 -1.99 -3.46 132.00 127.20 2q4r h PRO 113 Ca -0.39 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.60 2q4r h PRO 113 Cb 1.24 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.14 2q4r h PRO 113 CO 0.64 0.00 -0.37 0.15 -0.23 0.00 0.00 178.00 178.18 2q4r s LYS 114 N -3.20 0.48 -0.13 0.86 1.02 -1.26 -5.15 119.74 112.36 2q4r s LYS 114 Ca 0.07 0.01 -0.09 0.00 0.02 0.00 0.00 55.97 55.98 2q4r s LYS 114 Cb 0.06 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.63 2q4r s LYS 114 CO 0.66 -0.11 0.33 0.15 -0.92 0.00 0.00 175.35 175.47 2q4r s LYS 115 N -0.71 0.34 0.00 1.68 1.02 -1.26 -4.78 119.74 116.04 2q4r s LYS 115 Ca -0.08 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.46 2q4r s LYS 115 Cb -0.04 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 2q4r s LYS 115 CO 0.02 -0.10 0.00 0.54 -0.92 0.00 0.00 175.35 174.89 2q4r n ARG 116 N 3.52 0.00 -3.76 1.68 5.12 -0.97 -5.07 116.66 117.18 2q4r n ARG 116 Ca -0.18 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.72 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 0.20 -1.93 0.00 0.00 177.63 175.90 2q4r s GLY 117 N -2.41 -0.20 -1.03 -0.13 0.00 -1.26 -5.00 107.32 97.28 2q4r s GLY 117 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.83 2q4r s GLY 117 CO 0.00 0.75 0.90 2.41 0.00 0.00 0.00 173.10 177.16 2q4r n THR 118 N -0.54 -8.68 0.34 0.90 -1.04 -1.26 -1.89 114.28 102.12 2q4r n THR 118 Ca -0.06 -1.24 0.13 0.00 -2.04 0.00 0.00 64.05 60.84 2q4r n THR 118 Cb 0.61 -6.30 0.30 0.00 -1.82 0.00 0.00 70.33 63.12 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 -1.12 0.00 -3.09 -1.42 0.04 -1.92 -1.92 116.94 107.51 2q4r h PHE 119 Ca -0.59 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 59.86 2q4r h PHE 119 Cb 1.30 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 39.09 2q4r h PHE 119 CO 0.30 0.00 -0.66 0.42 -0.60 0.00 0.00 178.31 177.77 2q4r s ILE 120 N -3.23 -0.23 -0.21 -0.55 1.01 -1.26 -1.32 121.20 115.41 2q4r s ILE 120 Ca 0.07 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 2q4r s ILE 120 Cb 0.08 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 2q4r s ILE 120 CO 0.62 0.11 -0.06 -0.70 0.00 0.00 0.00 174.94 174.92 2q4r s GLU 121 N 2.27 3.37 -0.14 2.79 2.12 0.52 -4.98 118.70 124.64 2q4r s GLU 121 Ca 0.04 -0.63 -0.21 0.00 0.36 0.00 0.00 54.97 54.52 2q4r s GLU 121 Cb -0.12 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2q4r s GLU 121 CO -0.06 -0.16 0.63 0.12 -0.54 0.00 0.00 175.26 175.26 2q4r s PHE 122 N 1.36 3.47 0.17 5.30 5.36 -1.26 -0.76 117.98 131.61 2q4r s PHE 122 Ca 0.04 1.04 0.09 0.00 -0.96 0.00 0.00 56.93 57.14 2q4r s PHE 122 Cb -0.14 -2.76 -0.04 0.00 -0.34 0.00 0.00 43.02 39.73 2q4r s PHE 122 CO -0.03 -0.03 -0.19 1.03 -1.46 0.00 0.00 175.22 174.55 2q4r s ARG 123 N 1.32 1.29 0.32 10.12 0.52 -1.26 -5.00 118.95 126.26 2q4r s ARG 123 Ca 0.32 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.18 2q4r s ARG 123 Cb -0.16 -1.37 0.73 0.00 0.52 0.00 0.00 34.95 34.66 2q4r s ARG 123 CO 0.13 0.28 1.83 -0.91 0.02 0.00 0.00 175.30 176.65 2q4r h ASN 124 N 3.27 0.77 -0.27 0.23 2.35 -1.97 -3.43 115.58 116.53 2q4r h ASN 124 Ca -0.43 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2q4r h ASN 124 Cb 1.21 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2q4r h ASN 124 CO 0.50 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 177.26 2q4r n GLY 125 N -1.38 3.92 3.11 2.83 0.00 -1.26 0.18 105.19 112.59 2q4r n GLY 125 Ca 0.19 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.69 2.06 -0.27 0.99 1.43 -0.11 -4.59 118.68 115.51 2q4r s LEU 127 Ca 0.41 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2q4r s LEU 127 Cb 0.33 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2q4r s LEU 127 CO 0.10 0.01 0.15 0.21 0.23 0.00 0.00 176.35 177.04 2q4r s ASN 128 N 1.22 5.71 -0.05 2.29 3.84 0.06 -1.14 114.94 126.87 2q4r s ASN 128 Ca 0.03 -0.07 0.00 0.00 0.21 0.00 0.00 52.86 53.02 2q4r s ASN 128 Cb -0.13 -2.05 -0.03 0.00 -0.55 0.00 0.00 41.25 38.48 2q4r s ASN 128 CO -0.10 -0.04 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.46 2q4r s VAL 129 N 1.66 4.11 -0.22 -5.21 1.01 0.01 -0.36 120.40 121.40 2q4r s VAL 129 Ca 0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2q4r s VAL 129 Cb -0.16 -2.76 0.10 0.00 0.00 0.00 0.00 36.38 33.57 2q4r s VAL 129 CO 0.08 0.51 0.23 -0.55 0.00 0.00 0.00 175.10 175.38 2q4r s SER 130 N -1.13 1.53 0.54 3.32 0.15 -0.43 -0.53 113.70 117.15 2q4r s SER 130 Ca 0.15 -0.37 0.28 0.00 0.70 0.00 0.00 55.95 56.71 2q4r s SER 130 Cb -0.11 0.37 1.43 0.00 -1.71 0.00 0.00 66.02 66.00 2q4r s SER 130 CO 0.05 -0.34 1.96 -0.65 1.20 0.00 0.00 173.24 175.46 2q4r h PRO 131 N 8.31 0.00 0.07 5.44 0.11 -1.83 -2.26 132.00 141.84 2q4r h PRO 131 Ca -0.17 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.60 2q4r h PRO 131 Cb 1.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2q4r h PRO 131 CO 0.30 0.00 -1.95 1.51 -0.21 0.00 0.00 178.00 177.65 2q4r n ILE 132 N -4.30 1.69 0.00 4.15 3.06 -1.26 -4.96 119.36 117.74 2q4r n ILE 132 Ca 0.12 -0.71 0.00 0.00 -2.50 0.00 0.00 62.75 59.67 2q4r n ILE 132 Cb 0.72 -1.43 0.00 0.00 0.54 0.00 0.00 39.64 39.47 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 1.86 2.87 0.00 4.50 0.00 -0.85 -2.29 105.19 111.28 2q4r n GLY 133 Ca -0.28 -1.23 0.04 0.00 0.00 0.00 0.00 46.02 44.55 2q4r n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4r n ARG 134 N 1.15 0.02 0.04 1.61 1.74 -0.72 -2.85 116.66 117.64 2q4r n ARG 134 Ca 0.00 0.33 0.10 0.00 -0.77 0.00 0.00 57.85 57.51 2q4r n ARG 134 Cb 0.00 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.34 2q4r n ARG 134 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2q4r n SER 135 N -1.47 0.20 -4.56 0.55 3.41 -0.98 -4.89 113.62 105.89 2q4r n SER 135 Ca 0.02 0.54 -0.37 0.00 -0.26 0.00 0.00 58.87 58.81 2q4r n SER 135 Cb 0.10 -0.59 0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2q4r n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q4r s SER 137 N -1.39 3.56 0.16 0.00 1.04 -1.26 -4.83 113.70 110.97 2q4r s SER 137 Ca 0.72 0.10 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 2q4r s SER 137 Cb -0.39 -0.27 0.07 0.00 0.10 0.00 0.00 66.02 65.54 2q4r s SER 137 CO 0.51 -2.43 1.71 -0.61 0.98 0.00 0.00 173.24 173.41 2q4r h GLN 138 N -1.27 0.13 -0.01 4.02 -0.00 -2.00 -2.13 115.11 113.85 2q4r h GLN 138 Ca -0.42 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2q4r h GLN 138 Cb 1.25 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.70 2q4r h GLN 138 CO 0.40 0.08 0.00 0.93 0.00 0.00 0.00 178.83 180.25 2q4r h GLU 139 N 0.13 0.01 -0.89 1.69 3.07 -2.00 -2.43 114.58 114.16 2q4r h GLU 139 Ca 0.17 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.10 2q4r h GLU 139 Cb 0.22 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.06 2q4r h GLU 139 CO -0.26 0.08 0.55 0.93 -1.40 0.00 0.00 179.01 178.91 2q4r h GLU 140 N -0.07 0.95 -0.14 2.33 5.08 -1.90 -0.42 114.58 120.41 2q4r h GLU 140 Ca 0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2q4r h GLU 140 Cb 0.08 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2q4r h GLU 140 CO -0.00 0.63 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.30 2q4r h ARG 141 N 0.97 0.25 0.08 2.33 2.43 -1.24 -1.72 114.38 117.47 2q4r h ARG 141 Ca 0.40 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2q4r h ARG 141 Cb 0.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2q4r h ARG 141 CO -0.20 0.48 -0.04 0.82 -1.51 0.00 0.00 179.97 179.53 2q4r h ILE 142 N 0.23 1.11 -0.01 1.20 1.08 -0.62 0.28 117.51 120.78 2q4r h ILE 142 Ca 0.04 -0.68 0.03 0.00 -0.39 0.00 0.00 64.86 63.86 2q4r h ILE 142 Cb 0.56 1.56 -0.05 0.00 -3.07 0.00 0.00 36.82 35.81 2q4r h ILE 142 CO 0.04 0.17 -0.36 -0.08 -0.69 0.00 0.00 178.15 177.23 2q4r h GLU 143 N -0.41 -0.49 -0.98 2.37 4.81 -1.14 0.36 114.58 119.10 2q4r h GLU 143 Ca -0.01 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2q4r h GLU 143 Cb 0.36 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2q4r h GLU 143 CO 0.02 -0.32 0.63 0.35 -0.73 0.00 0.00 179.01 178.96 2q4r h PHE 144 N -0.51 1.24 -0.54 0.92 3.57 -1.29 -1.90 116.94 118.44 2q4r h PHE 144 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2q4r h PHE 144 Cb 0.60 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2q4r h PHE 144 CO -0.38 0.79 0.14 -0.92 -2.23 0.00 0.00 178.31 175.71 2q4r h TYR 145 N 1.33 0.84 -0.04 0.41 3.20 0.90 0.50 116.97 124.11 2q4r h TYR 145 Ca 0.36 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 62.03 2q4r h TYR 145 Cb -0.13 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 2q4r h TYR 145 CO 0.00 0.70 -0.52 1.05 -1.64 0.00 0.00 178.16 177.76 2q4r h GLU 146 N 0.79 0.12 -0.05 1.82 4.11 0.26 0.78 114.58 122.41 2q4r h GLU 146 Ca 0.18 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 2q4r h GLU 146 Cb 0.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2q4r h GLU 146 CO -0.00 0.61 -0.16 1.25 0.07 0.00 0.00 179.01 180.77 2q4r h LEU 147 N 0.09 0.23 -1.91 3.06 5.85 -0.70 -2.47 115.31 119.46 2q4r h LEU 147 Ca 0.00 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.12 2q4r h LEU 147 Cb 0.95 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2q4r h LEU 147 CO 0.07 0.81 0.10 -0.78 -0.34 0.00 0.00 178.44 178.31 2q4r h ASP 148 N -0.34 0.10 -0.21 1.25 3.58 0.21 1.47 116.42 122.49 2q4r h ASP 148 Ca -0.01 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2q4r h ASP 148 Cb 0.79 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2q4r h ASP 148 CO 0.03 0.07 -0.44 0.50 -2.88 0.00 0.00 179.24 176.53 2q4r h LYS 149 N 0.12 0.77 0.14 0.28 3.64 -0.75 1.49 116.57 122.25 2q4r h LYS 149 Ca 0.06 -0.42 -0.18 0.00 -1.27 0.00 0.00 60.65 58.84 2q4r h LYS 149 Cb 0.10 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2q4r h LYS 149 CO -0.01 1.05 -0.80 -0.22 -2.27 0.00 0.00 179.45 177.20 2q4r h LYS 150 N 0.62 0.29 0.00 1.90 3.64 -0.57 -3.37 116.57 119.08 2q4r h LYS 150 Ca 0.04 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2q4r h LYS 150 Cb 1.00 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2q4r h LYS 150 CO 0.10 1.24 -1.11 0.39 -2.27 0.00 0.00 179.45 177.80 2q4r n GLU 151 N -4.13 0.47 -3.74 1.90 -0.58 0.49 -4.99 120.64 110.05 2q4r n GLU 151 Ca -0.14 0.03 -0.24 0.00 -0.42 0.00 0.00 57.16 56.39 2q4r n GLU 151 Cb 0.82 -1.69 0.04 0.00 -0.57 0.00 0.00 31.44 30.04 2q4r n GLU 151 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2q4r n ASN 152 N -2.31 -3.06 -0.24 1.62 5.15 0.51 -4.87 115.26 112.06 2q4r n ASN 152 Ca 0.00 -0.76 0.02 0.00 -0.60 0.00 0.00 54.58 53.25 2q4r n ASN 152 Cb 0.50 -4.19 0.15 0.00 -0.53 0.00 0.00 39.78 35.70 2q4r n ASN 152 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2q4r h ILE 153 N -2.04 0.76 -0.24 -1.44 1.08 -1.85 -2.27 117.51 111.51 2q4r h ILE 153 Ca -0.59 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 2q4r h ILE 153 Cb 1.36 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2q4r h ILE 153 CO 0.60 0.09 0.13 0.03 -0.69 0.00 0.00 178.15 178.30 2q4r h ARG 154 N 0.49 0.33 -0.26 2.37 3.08 -1.89 0.15 114.38 118.66 2q4r h ARG 154 Ca 0.36 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 2q4r h ARG 154 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2q4r h ARG 154 CO -0.33 0.31 -0.15 0.37 -1.07 0.00 0.00 179.97 179.10 2q4r h GLN 155 N 0.27 0.44 -0.53 0.04 4.15 -1.90 -0.37 115.11 117.21 2q4r h GLN 155 Ca 0.08 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 2q4r h GLN 155 Cb 0.08 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2q4r h GLN 155 CO -0.01 0.59 -0.13 0.87 -1.93 0.00 0.00 178.83 178.21 2q4r h LYS 156 N 0.41 1.02 0.15 1.69 1.57 -1.07 0.21 116.57 120.55 2q4r h LYS 156 Ca 0.07 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2q4r h LYS 156 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2q4r h LYS 156 CO 0.03 1.07 -0.07 0.35 -0.57 0.00 0.00 179.45 180.26 2q4r h PHE 157 N 0.90 -0.19 -0.49 -1.35 3.04 -0.31 -1.24 116.94 117.30 2q4r h PHE 157 Ca 0.13 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.15 2q4r h PHE 157 Cb 0.70 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.22 2q4r h PHE 157 CO 0.05 0.04 0.17 0.28 -2.02 0.00 0.00 178.31 176.82 2q4r h VAL 158 N -0.40 0.82 -0.54 1.41 2.07 -0.90 0.27 116.25 118.98 2q4r h VAL 158 Ca -0.02 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2q4r h VAL 158 Cb 0.32 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2q4r h VAL 158 CO 0.03 0.06 0.29 0.00 0.02 0.00 0.00 177.57 177.97 2q4r h ALA 159 N 1.33 0.70 -0.22 1.67 0.00 -0.49 1.14 119.26 123.38 2q4r h ALA 159 Ca 0.23 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2q4r h ALA 159 Cb 0.25 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2q4r h ALA 159 CO -0.25 -0.05 -0.07 -0.44 0.00 0.00 0.00 179.25 178.44 2q4r h ASP 160 N 0.55 -0.26 0.43 0.00 3.32 0.17 0.40 116.42 121.04 2q4r h ASP 160 Ca 0.24 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2q4r h ASP 160 Cb 0.13 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2q4r h ASP 160 CO -0.15 -0.10 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.00 2q4r h LEU 161 N -0.03 -0.48 -0.49 1.55 3.38 0.58 -2.98 115.31 116.84 2q4r h LEU 161 Ca 0.11 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2q4r h LEU 161 Cb 0.20 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.97 2q4r h LEU 161 CO -0.25 -0.32 -0.23 -0.09 0.09 0.00 0.00 178.44 177.65 2q4r h ARG 162 N -0.61 -0.11 -1.86 1.13 2.43 0.18 0.44 114.38 115.98 2q4r h ARG 162 Ca -0.06 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2q4r h ARG 162 Cb 0.46 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2q4r h ARG 162 CO 0.10 -0.08 0.00 1.17 -1.51 0.00 0.00 179.97 179.65 2q4r n LYS 163 N -5.41 0.58 0.00 0.20 3.00 0.14 -2.90 118.16 113.77 2q4r n LYS 163 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2q4r n LYS 163 Cb 0.32 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.14 2q4r n LYS 163 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2q4r n GLU 164 N 1.46 0.00 -1.38 1.64 4.07 0.14 -4.96 120.64 121.62 2q4r n GLU 164 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 2q4r n GLU 164 Cb 0.29 -0.22 0.11 0.00 -0.06 0.00 0.00 31.44 31.55 2q4r n GLU 164 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2q4r n PHE 165 N -1.30 2.07 -2.14 4.31 3.72 -0.56 -5.03 117.46 118.52 2q4r n PHE 165 Ca 0.00 -2.10 -0.41 0.00 -0.05 0.00 0.00 57.45 54.89 2q4r n PHE 165 Cb 0.00 -0.59 -0.02 0.00 -0.94 0.00 0.00 39.48 37.93 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 -3.50 3.50 0.00 4.37 0.00 -1.24 -3.17 121.76 121.73 2q4r s ALA 166 Ca 0.50 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2q4r s ALA 166 Cb 0.42 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2q4r s ALA 166 CO 0.01 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2q4r n GLY 167 N 0.99 0.71 0.68 0.00 0.00 -1.26 -4.93 105.19 101.37 2q4r n GLY 167 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 1.68 -2.65 1.61 4.76 -1.19 -4.99 118.16 115.39 2q4r n LYS 168 Ca 0.00 -1.37 -0.07 0.00 -2.87 0.00 0.00 58.31 53.99 2q4r n LYS 168 Cb 0.00 -1.45 0.03 0.00 -1.84 0.00 0.00 35.03 31.77 2q4r n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q4r n GLY 169 N 1.35 0.20 3.58 0.72 0.00 -1.26 -4.95 105.19 104.83 2q4r n GLY 169 Ca 0.11 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.61 3.03 0.06 0.99 1.43 -1.26 -1.24 118.68 118.09 2q4r s LEU 170 Ca 0.06 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2q4r s LEU 170 Cb -0.03 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2q4r s LEU 170 CO 0.28 0.11 -0.10 -0.89 0.23 0.00 0.00 176.35 175.98 2q4r s THR 171 N -1.64 0.77 0.19 5.49 2.01 0.99 -4.79 115.64 118.66 2q4r s THR 171 Ca 0.25 -1.27 0.10 0.00 0.31 0.00 0.00 61.69 61.07 2q4r s THR 171 Cb -0.09 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2q4r s THR 171 CO 0.15 -0.39 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.19 2q4r s PHE 172 N -1.62 2.51 -0.11 4.92 0.08 -1.26 -1.40 117.98 121.09 2q4r s PHE 172 Ca -0.04 -0.27 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 2q4r s PHE 172 Cb -0.08 -1.22 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 2q4r s PHE 172 CO 0.01 0.52 0.27 0.45 -0.10 0.00 0.00 175.22 176.37 2q4r s SER 173 N -2.82 -0.29 -0.42 1.36 0.15 -1.07 -4.95 113.70 105.65 2q4r s SER 173 Ca 0.24 0.57 -0.06 0.00 0.70 0.00 0.00 55.95 57.39 2q4r s SER 173 Cb -0.08 0.51 0.10 0.00 -1.71 0.00 0.00 66.02 64.84 2q4r s SER 173 CO 0.13 -0.13 0.24 -0.63 1.20 0.00 0.00 173.24 174.05 2q4r s ILE 174 N 0.70 3.71 0.50 6.45 1.01 -1.26 -0.17 121.20 132.14 2q4r s ILE 174 Ca -0.05 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.80 2q4r s ILE 174 Cb -0.06 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 2q4r s ILE 174 CO -0.04 -0.64 0.01 0.61 0.00 0.00 0.00 174.94 174.88 2q4r n GLY 175 N 4.75 3.54 7.00 6.18 0.00 -1.23 -5.04 105.19 120.38 2q4r n GLY 175 Ca -0.06 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.61 2q4r n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q4r n GLY 176 N -1.04 3.21 0.00 -0.02 0.00 -1.26 -4.25 105.19 101.83 2q4r n GLY 176 Ca -0.20 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 14.00 4.17 -0.70 1.61 6.02 -1.26 -4.94 117.38 136.27 2q4r n GLN 177 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 2q4r n GLN 177 Cb 0.00 -0.61 0.08 0.00 1.02 0.00 0.00 30.24 30.73 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 -0.39 0.87 -3.58 5.09 -0.00 -1.26 -4.61 119.36 115.47 2q4r n ILE 178 Ca 0.00 -1.44 -0.07 0.00 -0.00 0.00 0.00 62.75 61.24 2q4r n ILE 178 Cb 0.02 0.32 -0.02 0.00 -0.00 0.00 0.00 39.64 39.96 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 -2.15 -0.31 0.46 7.28 1.04 -1.26 -4.38 113.70 114.38 2q4r s SER 179 Ca 0.24 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.57 2q4r s SER 179 Cb 0.25 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 2q4r s SER 179 CO -0.05 -0.72 0.10 2.22 0.98 0.00 0.00 173.24 175.76 2q4r n PHE 180 N -0.32 0.51 -4.25 5.02 1.16 0.31 -3.56 117.46 116.32 2q4r n PHE 180 Ca -0.08 -2.66 -0.15 0.00 -1.87 0.00 0.00 57.45 52.69 2q4r n PHE 180 Cb 0.62 -0.12 -0.10 0.00 -1.61 0.00 0.00 39.48 38.26 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 -3.68 1.90 -0.06 5.98 1.01 0.76 -0.81 116.67 121.77 2q4r s ASP 181 Ca 0.14 -0.96 -0.02 0.00 0.71 0.00 0.00 52.55 52.43 2q4r s ASP 181 Cb 0.01 -0.04 0.03 0.00 1.01 0.00 0.00 42.92 43.93 2q4r s ASP 181 CO 0.10 -0.27 0.02 -0.69 0.21 0.00 0.00 175.17 174.54 2q4r s VAL 182 N -2.99 0.21 0.19 -1.27 1.01 -0.29 -2.61 120.40 114.65 2q4r s VAL 182 Ca 0.15 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 2q4r s VAL 182 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.98 2q4r s VAL 182 CO 0.02 0.23 0.38 0.72 0.00 0.00 0.00 175.10 176.45 2q4r s PHE 183 N 2.03 0.28 0.49 5.22 -0.12 -0.50 -0.93 117.98 124.46 2q4r s PHE 183 Ca 0.05 -0.64 -0.21 0.00 -0.05 0.00 0.00 56.93 56.08 2q4r s PHE 183 Cb -0.12 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.29 2q4r s PHE 183 CO -0.04 -0.82 1.15 -2.14 -0.05 0.00 0.00 175.22 173.31 2q4r s PRO 184 N -3.96 3.60 0.18 1.99 0.02 -1.26 -0.01 135.00 135.56 2q4r s PRO 184 Ca 0.17 1.69 -0.33 0.00 0.02 0.00 0.00 61.00 62.55 2q4r s PRO 184 Cb 0.01 -2.24 -0.14 0.00 0.02 0.00 0.00 34.50 32.16 2q4r s PRO 184 CO 0.02 -0.66 1.52 -0.25 -0.33 0.00 0.00 177.00 177.30 2q4r n ASP 185 N -0.82 2.94 0.00 2.53 8.00 -0.37 -1.73 116.55 127.10 2q4r n ASP 185 Ca 0.09 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2q4r n ASP 185 Cb 0.49 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 3.03 0.83 1.07 0.44 0.00 -1.26 -4.91 105.19 104.40 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 -2.26 0.00 -1.92 1.61 7.02 -0.70 -3.24 117.44 117.94 2q4r n TRP 187 Ca 0.00 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 55.99 2q4r n TRP 187 Cb 0.00 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.63 2q4r n TRP 187 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2q4r n ASP 188 N 0.70 0.00 0.10 -0.99 5.75 -1.26 -4.88 116.55 115.97 2q4r n ASP 188 Ca 0.00 -0.31 0.17 0.00 -0.01 0.00 0.00 54.79 54.64 2q4r n ASP 188 Cb 0.44 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.24 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 -0.61 0.11 1.57 -1.84 -1.65 116.57 114.15 2q4r h LYS 189 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 2q4r h LYS 189 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2q4r h LYS 189 CO 0.00 0.00 0.54 0.00 -0.57 0.00 0.00 179.45 179.42 2q4r h ARG 190 N 0.00 0.00 -0.91 3.15 3.08 -1.87 -1.91 114.38 115.92 2q4r h ARG 190 Ca 0.16 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.40 2q4r h ARG 190 Cb 0.71 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.68 2q4r h ARG 190 CO -0.00 0.00 0.59 -0.92 -1.07 0.00 0.00 179.97 178.57 2q4r h TYR 191 N 0.00 0.67 0.00 3.04 3.20 -1.27 -1.74 116.97 120.87 2q4r h TYR 191 Ca 0.29 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 2q4r h TYR 191 Cb 1.37 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2q4r h TYR 191 CO 0.00 0.18 -0.42 0.00 -1.64 0.00 0.00 178.16 176.28 2q4r h LEU 193 N 0.00 0.00 -2.15 0.00 3.38 -1.48 0.46 115.31 115.51 2q4r h LEU 193 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2q4r h LEU 193 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2q4r h LEU 193 CO 0.05 0.00 -0.01 0.08 0.09 0.00 0.00 178.44 178.66 2q4r h ARG 194 N 0.00 0.00 -0.02 1.13 0.11 -1.73 -1.01 114.38 112.86 2q4r h ARG 194 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 2q4r h ARG 194 Cb 1.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.55 2q4r h ARG 194 CO -0.00 0.01 -0.01 0.72 0.10 0.00 0.00 179.97 180.79 2q4r n HIS 195 N -3.12 0.00 0.00 4.08 8.25 0.16 -4.29 115.22 120.30 2q4r n HIS 195 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2q4r n HIS 195 Cb 0.20 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 2q4r n HIS 195 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2q4r n VAL 196 N 0.32 0.00 1.36 1.59 0.24 -0.45 -4.77 118.33 116.61 2q4r n VAL 196 Ca 0.18 -0.26 0.05 0.00 -2.04 0.00 0.00 64.34 62.27 2q4r n VAL 196 Cb 0.39 0.83 0.17 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.79 1.49 -0.01 7.34 0.28 -0.82 -3.78 120.64 124.34 2q4r n GLU 197 Ca 0.00 -0.75 0.00 0.00 -0.16 0.00 0.00 57.16 56.25 2q4r n GLU 197 Cb 0.00 -1.21 0.00 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 0.08 1.03 -1.47 -1.84 3.02 -1.26 -4.74 115.26 110.09 2q4r n ASN 198 Ca 0.09 -1.56 0.08 0.00 -0.03 0.00 0.00 54.58 53.16 2q4r n ASN 198 Cb 0.19 -0.01 0.34 0.00 -0.61 0.00 0.00 39.78 39.69 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 -0.28 4.94 0.00 6.41 8.00 -1.25 -5.00 116.55 129.37 2q4r n ASP 199 Ca 0.00 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.57 2q4r n ASP 199 Cb 0.38 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 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 0.19 2.10 0.00 0.44 0.00 -1.26 -5.05 105.19 101.61 2q4r n GLY 200 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2q4r n GLY 200 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q4r n TYR 201 N 0.00 0.00 0.05 1.61 4.01 -1.26 -4.85 117.16 116.73 2q4r n TYR 201 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2q4r n TYR 201 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 2q4r n TYR 201 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2q4r h LYS 202 N 0.00 0.00 -4.38 -0.72 6.56 -0.53 -3.46 116.57 114.04 2q4r h LYS 202 Ca 0.00 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 59.21 2q4r h LYS 202 Cb 0.00 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 31.36 2q4r h LYS 202 CO 0.00 0.55 -0.77 0.99 -2.06 0.00 0.00 179.45 178.16 2q4r s THR 203 N -2.81 0.58 -0.28 -0.16 2.01 -1.22 -5.06 115.64 108.70 2q4r s THR 203 Ca -0.01 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2q4r s THR 203 Cb 0.09 -0.52 0.08 0.00 0.01 0.00 0.00 72.50 72.15 2q4r s THR 203 CO 0.80 0.19 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.28 2q4r s ILE 204 N 0.19 1.68 0.21 1.82 1.01 -1.26 -2.32 121.20 122.53 2q4r s ILE 204 Ca -0.02 -1.58 -0.20 0.00 0.00 0.00 0.00 60.65 58.85 2q4r s ILE 204 Cb -0.07 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 2q4r s ILE 204 CO -0.00 -0.32 0.72 -0.31 0.00 0.00 0.00 174.94 175.03 2q4r s TYR 205 N 1.28 3.68 -0.14 3.97 2.02 0.63 -4.59 117.35 124.20 2q4r s TYR 205 Ca 0.01 1.40 -0.00 0.00 -0.37 0.00 0.00 57.07 58.11 2q4r s TYR 205 Cb -0.19 -2.63 0.03 0.00 -0.40 0.00 0.00 41.96 38.78 2q4r s TYR 205 CO -0.10 0.37 -0.08 0.12 -1.57 0.00 0.00 175.55 174.29 2q4r s PHE 206 N -1.47 1.75 -0.21 2.71 5.36 -1.26 0.50 117.98 125.36 2q4r s PHE 206 Ca 0.42 -0.99 -0.07 0.00 -0.96 0.00 0.00 56.93 55.32 2q4r s PHE 206 Cb -0.17 -1.36 -0.04 0.00 -0.34 0.00 0.00 43.02 41.11 2q4r s PHE 206 CO 0.21 -0.59 0.07 -0.06 -1.46 0.00 0.00 175.22 173.39 2q4r s PHE 207 N 1.62 3.19 0.00 10.12 0.08 0.28 0.03 117.98 133.29 2q4r s PHE 207 Ca 0.03 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.00 2q4r s PHE 207 Cb -0.14 -2.14 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2q4r s PHE 207 CO -0.09 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.42 2q4r n GLY 208 N 4.05 -0.71 3.03 4.36 0.00 -0.48 -1.48 105.19 113.96 2q4r n GLY 208 Ca -0.16 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 1.44 0.00 1.61 -0.00 -1.26 0.12 116.67 114.58 2q4r s ASP 209 Ca 0.00 -0.23 0.27 0.00 -0.00 0.00 0.00 52.55 52.59 2q4r s ASP 209 Cb 0.00 -0.41 1.53 0.00 -0.00 0.00 0.00 42.92 44.04 2q4r s ASP 209 CO 0.00 0.08 1.93 2.29 -0.00 0.00 0.00 175.17 179.47 2q4r n LYS 210 N 3.30 0.73 -4.53 8.23 2.85 -1.26 -4.36 118.16 123.11 2q4r n LYS 210 Ca -0.19 0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 56.84 2q4r n LYS 210 Cb 0.54 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.31 2q4r n LYS 210 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2q4r s THR 211 N -2.13 1.66 0.00 0.58 2.01 -1.26 -2.35 115.64 114.15 2q4r s THR 211 Ca 0.37 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 60.35 2q4r s THR 211 Cb 0.18 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2q4r s THR 211 CO 0.33 -0.03 0.00 -3.20 -0.69 0.00 0.00 174.62 171.02 2q4r n ASN 216 N -0.82 0.00 0.00 3.53 5.15 -1.26 -4.39 115.26 117.47 2q4r n ASN 216 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2q4r n ASN 216 Cb 0.66 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.91 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2q4r n ASP 217 N -0.67 0.00 -4.67 1.20 -0.08 -1.26 -5.14 116.55 105.93 2q4r n ASP 217 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 2q4r n ASP 217 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2q4r n ASP 217 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2q4r s HIS 218 N 0.00 3.42 0.34 -0.67 3.76 -0.99 -4.96 115.29 116.19 2q4r s HIS 218 Ca 0.00 1.13 0.07 0.00 -0.15 0.00 0.00 55.06 56.12 2q4r s HIS 218 Cb 0.00 -2.92 0.62 0.00 1.11 0.00 0.00 32.58 31.39 2q4r s HIS 218 CO 0.00 -0.19 1.82 0.93 -0.85 0.00 0.00 174.74 176.45 2q4r h GLU 219 N 7.33 0.29 -0.14 1.40 3.07 -1.94 -2.43 114.58 122.17 2q4r h GLU 219 Ca -0.31 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 2q4r h GLU 219 Cb 1.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 2q4r h GLU 219 CO 0.81 0.51 -0.12 0.97 -1.40 0.00 0.00 179.01 179.77 2q4r h ILE 220 N 0.26 1.16 0.44 3.13 2.10 -1.93 0.99 117.51 123.67 2q4r h ILE 220 Ca 0.04 -0.72 -0.02 0.00 1.08 0.00 0.00 64.86 65.24 2q4r h ILE 220 Cb 0.55 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 2q4r h ILE 220 CO 0.04 0.22 -0.21 0.15 -1.08 0.00 0.00 178.15 177.27 2q4r h PHE 221 N 0.21 -0.55 0.00 2.19 3.57 -1.76 -3.14 116.94 117.46 2q4r h PHE 221 Ca 0.04 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2q4r h PHE 221 Cb 0.34 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2q4r h PHE 221 CO 0.00 -0.27 -0.20 1.79 -2.23 0.00 0.00 178.31 177.40 2q4r h THR 222 N -0.72 0.37 -1.11 4.41 1.35 -1.41 -3.31 112.91 112.49 2q4r h THR 222 Ca -0.06 -1.38 -0.78 0.00 -0.55 0.00 0.00 66.41 63.64 2q4r h THR 222 Cb 0.52 2.07 0.05 0.00 -1.73 0.00 0.00 68.15 69.05 2q4r h THR 222 CO 0.10 0.20 0.16 -0.67 -0.25 0.00 0.00 175.52 175.05 2q4r n ASP 223 N -3.18 0.33 -0.26 5.36 -0.08 0.34 -4.81 116.55 114.24 2q4r n ASP 223 Ca 0.02 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.46 2q4r n ASP 223 Cb 0.56 -0.96 0.00 0.00 2.34 0.00 0.00 41.12 43.06 2q4r n ASP 223 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2q4r n PRO 224 N 1.81 0.74 0.00 -0.67 -0.04 -1.26 -2.46 135.00 133.11 2q4r n PRO 224 Ca 0.20 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 2q4r n PRO 224 Cb 0.09 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 2q4r n PRO 224 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2q4r n ARG 225 N -0.17 2.09 0.00 0.54 1.74 -1.26 -5.19 116.66 114.40 2q4r n ARG 225 Ca 0.00 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 2q4r n ARG 225 Cb 0.10 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2q4r n ARG 225 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2q4r n THR 226 N -0.72 0.00 -3.59 0.55 -2.24 -1.03 -4.77 114.28 102.48 2q4r n THR 226 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 2q4r n THR 226 Cb 0.26 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.52 0.04 3.38 0.00 -1.25 -4.86 107.32 105.14 2q4r s GLY 228 Ca 0.00 3.74 0.07 0.00 0.00 0.00 0.00 44.72 48.53 2q4r s GLY 228 CO 0.00 2.83 -0.18 -0.19 0.00 0.00 0.00 173.10 175.56 2q4r s TYR 229 N 1.21 2.56 -0.15 1.90 2.02 0.10 -4.93 117.35 120.06 2q4r s TYR 229 Ca -0.07 -0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 2q4r s TYR 229 Cb -0.02 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.02 2q4r s TYR 229 CO -0.11 0.24 0.16 -1.54 -1.57 0.00 0.00 175.55 172.74 2q4r s SER 230 N -1.39 6.34 0.12 2.29 1.04 -1.25 -1.39 113.70 119.46 2q4r s SER 230 Ca 0.14 0.40 0.09 0.00 0.48 0.00 0.00 55.95 57.07 2q4r s SER 230 Cb -0.10 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 2q4r s SER 230 CO 0.05 0.28 -0.23 0.68 0.98 0.00 0.00 173.24 175.01 2q4r s VAL 231 N -0.33 1.91 -1.51 5.02 -7.23 0.32 -4.88 120.40 113.70 2q4r s VAL 231 Ca 0.13 -1.66 0.15 0.00 -1.81 0.00 0.00 61.98 58.79 2q4r s VAL 231 Cb -0.12 -1.73 0.04 0.00 0.56 0.00 0.00 36.38 35.12 2q4r s VAL 231 CO 0.02 -0.04 0.85 0.35 -0.31 0.00 0.00 175.10 175.98 2q4r n THR 232 N 0.94 0.00 0.00 5.32 -2.24 -1.26 -4.66 114.28 112.38 2q4r n THR 232 Ca -0.18 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2q4r n THR 232 Cb 0.54 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 2q4r n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4r n ALA 233 N 0.18 0.00 -0.02 6.98 0.00 -1.26 -4.98 120.51 121.41 2q4r n ALA 233 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2q4r n ALA 233 Cb 0.33 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.30 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 0.33 -0.84 0.00 0.11 -1.68 0.23 132.00 130.15 2q4r h PRO 234 Ca 0.00 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.19 2q4r h PRO 234 Cb 0.00 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 30.98 2q4r h PRO 234 CO 0.00 0.22 0.55 0.93 -0.21 0.00 0.00 178.00 179.48 2q4r h GLU 235 N 0.34 0.76 0.07 1.05 3.07 -1.94 -2.00 114.58 115.92 2q4r h GLU 235 Ca 0.22 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.90 2q4r h GLU 235 Cb 0.43 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2q4r h GLU 235 CO -0.05 0.50 -0.66 -0.44 -1.40 0.00 0.00 179.01 176.96 2q4r h ASP 236 N 0.78 0.22 -0.88 1.42 5.19 -1.39 -2.61 116.42 119.15 2q4r h ASP 236 Ca 0.39 -0.90 0.22 0.00 -0.62 0.00 0.00 57.03 56.13 2q4r h ASP 236 Cb 0.46 -0.07 -0.13 0.00 0.18 0.00 0.00 39.33 39.77 2q4r h ASP 236 CO -0.16 1.30 0.34 0.74 -3.12 0.00 0.00 179.24 178.33 2q4r h THR 237 N -0.67 0.42 -0.10 0.35 2.02 -0.93 0.20 112.91 114.20 2q4r h THR 237 Ca -0.14 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.78 2q4r h THR 237 Cb 1.38 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2q4r h THR 237 CO 0.03 0.06 -0.52 0.03 0.37 0.00 0.00 175.52 175.49 2q4r h ARG 238 N 0.33 0.53 -0.39 6.66 3.08 -1.49 -1.67 114.38 121.44 2q4r h ARG 238 Ca 0.55 -0.44 0.07 0.00 0.07 0.00 0.00 59.98 60.23 2q4r h ARG 238 Cb 1.07 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 2q4r h ARG 238 CO -0.57 1.07 0.02 -0.09 -1.07 0.00 0.00 179.97 179.33 2q4r h ARG 239 N 0.14 0.13 -0.23 0.04 2.43 -0.56 0.34 114.38 116.67 2q4r h ARG 239 Ca -0.04 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 2q4r h ARG 239 Cb 1.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2q4r h ARG 239 CO 0.11 0.09 -0.62 0.82 -1.51 0.00 0.00 179.97 178.85 2q4r h ILE 240 N 0.13 1.29 -0.34 1.20 2.04 -0.77 -1.36 117.51 119.70 2q4r h ILE 240 Ca 0.19 -1.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.19 2q4r h ILE 240 Cb 0.26 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2q4r h ILE 240 CO -0.30 0.59 0.09 0.00 0.00 0.00 0.00 178.15 178.53 2q4r h GLU 242 N 0.49 0.22 -0.47 0.00 4.57 -0.17 -3.21 114.58 116.00 2q4r h GLU 242 Ca 0.12 -0.09 0.10 0.00 -1.18 0.00 0.00 59.36 58.30 2q4r h GLU 242 Cb 0.18 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.67 2q4r h GLU 242 CO -0.00 0.56 -0.18 1.25 -1.18 0.00 0.00 179.01 179.45 2q4r h LEU 243 N -0.13 -0.63 -1.48 1.64 5.85 -0.46 0.24 115.31 120.33 2q4r h LEU 243 Ca 0.02 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2q4r h LEU 243 Cb 0.49 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2q4r h LEU 243 CO 0.01 -0.21 0.39 -0.07 -0.34 0.00 0.00 178.44 178.22 2q4r h LEU 244 N -0.08 0.00 -6.89 2.25 4.07 -1.20 -3.25 115.31 110.22 2q4r h LEU 244 Ca 0.22 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.59 2q4r h LEU 244 Cb 0.42 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.77 2q4r h LEU 244 CO -0.52 0.00 -0.77 -0.36 -1.08 0.00 0.00 178.44 175.70 2q4r s PHE 245 N -3.86 1.50 0.00 1.13 0.08 0.07 -5.13 117.98 111.77 2q4r s PHE 245 Ca -0.02 -2.02 0.00 0.00 0.12 0.00 0.00 56.93 55.01 2q4r s PHE 245 Cb 0.06 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 2q4r s PHE 245 CO 0.20 -0.81 0.00 0.43 -0.10 0.00 0.00 175.22 174.94