#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 1.02 3.75 0.55 0.00 -1.26 -4.50 105.19 104.74 2q4r n GLY 5 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2q4r n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2q4r s PRO 6 N 0.00 2.01 0.01 1.61 0.02 -1.26 -4.87 135.00 132.52 2q4r s PRO 6 Ca 0.00 1.28 -0.28 0.00 0.02 0.00 0.00 61.00 62.02 2q4r s PRO 6 Cb 0.00 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.75 2q4r s PRO 6 CO 0.00 -1.84 0.80 0.00 -0.33 0.00 0.00 177.00 175.63 2q4r s ALA 7 N -2.80 -1.77 -0.03 -1.55 0.00 -1.26 -1.27 121.76 113.08 2q4r s ALA 7 Ca 0.63 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.61 2q4r s ALA 7 Cb -0.19 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2q4r s ALA 7 CO 0.55 -0.61 -0.07 -1.17 0.00 0.00 0.00 175.76 174.47 2q4r s LEU 8 N -2.17 1.70 -0.20 0.00 2.96 -0.39 -2.82 118.68 117.77 2q4r s LEU 8 Ca 0.01 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 2q4r s LEU 8 Cb -0.01 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 2q4r s LEU 8 CO -0.06 0.03 -0.00 0.00 -1.32 0.00 0.00 176.35 175.00 2q4r s LEU 10 N 0.93 2.48 0.08 0.00 1.43 0.08 0.24 118.68 123.92 2q4r s LEU 10 Ca 0.01 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2q4r s LEU 10 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2q4r s LEU 10 CO 0.02 0.06 -0.08 -0.36 0.23 0.00 0.00 176.35 176.22 2q4r s PHE 11 N 0.96 2.81 0.43 0.29 0.08 0.29 -1.16 117.98 121.68 2q4r s PHE 11 Ca -0.02 -0.11 -0.09 0.00 0.12 0.00 0.00 56.93 56.82 2q4r s PHE 11 Cb -0.15 -1.48 -0.06 0.00 -0.57 0.00 0.00 43.02 40.76 2q4r s PHE 11 CO -0.02 0.43 0.79 0.34 -0.10 0.00 0.00 175.22 176.65 2q4r s ASP 12 N -2.09 6.46 0.00 1.36 3.68 -0.32 0.18 116.67 125.94 2q4r s ASP 12 Ca 0.21 1.11 0.00 0.00 2.13 0.00 0.00 52.55 56.00 2q4r s ASP 12 Cb -0.11 -2.32 0.00 0.00 -1.45 0.00 0.00 42.92 39.04 2q4r s ASP 12 CO 0.14 -0.46 0.00 1.33 0.13 0.00 0.00 175.17 176.31 2q4r n VAL 13 N -1.56 0.00 -1.65 1.11 0.24 -0.96 -4.00 118.33 111.51 2q4r n VAL 13 Ca 0.02 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.84 2q4r n VAL 13 Cb 0.54 -0.10 -0.05 0.00 -1.47 0.00 0.00 33.84 32.76 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2q4r n ASP 14 N -0.22 2.63 0.00 -1.34 2.03 -1.26 -1.53 116.55 116.86 2q4r n ASP 14 Ca 0.00 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.39 2q4r n ASP 14 Cb 0.00 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.07 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 3.25 2.60 0.10 0.27 0.00 0.21 -4.75 105.19 106.87 2q4r n GLY 15 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 1.22 0.00 2.61 2.02 -1.48 -3.32 112.91 113.96 2q4r h THR 16 Ca 0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 2q4r h THR 16 Cb 0.00 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2q4r h THR 16 CO 0.00 0.51 -1.07 0.18 0.37 0.00 0.00 175.52 175.51 2q4r n LEU 17 N -4.35 0.32 -4.18 2.58 4.77 -0.68 -3.78 117.00 111.68 2q4r n LEU 17 Ca -0.23 -0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.37 2q4r n LEU 17 Cb 0.68 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.67 2q4r n LEU 17 CO 0.29 0.08 -0.29 0.42 -1.33 0.00 0.00 177.39 176.57 2q4r s THR 18 N -2.53 0.18 0.38 -5.08 -4.23 -1.24 -4.45 115.64 98.67 2q4r s THR 18 Ca 0.00 -1.94 -0.21 0.00 -1.18 0.00 0.00 61.69 58.36 2q4r s THR 18 Cb 0.09 -2.17 -0.10 0.00 1.34 0.00 0.00 72.50 71.65 2q4r s THR 18 CO 0.54 -0.35 0.90 0.00 -0.54 0.00 0.00 174.62 175.17 2q4r s ALA 19 N -4.00 3.13 0.25 3.99 0.00 -1.26 -0.62 121.76 123.25 2q4r s ALA 19 Ca 0.28 0.35 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 2q4r s ALA 19 Cb 0.07 -3.08 -0.15 0.00 0.00 0.00 0.00 23.12 19.96 2q4r s ALA 19 CO 0.05 0.18 0.86 -2.30 0.00 0.00 0.00 175.76 174.55 2q4r n PRO 20 N -0.32 0.89 -3.20 0.00 -0.02 -1.26 -1.55 135.00 129.53 2q4r n PRO 20 Ca 0.05 0.31 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 2q4r n PRO 20 Cb 0.53 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.89 -3.03 -4.00 -0.52 1.74 -1.26 -4.95 116.66 105.52 2q4r n ARG 21 Ca 0.13 0.43 -0.09 0.00 -0.77 0.00 0.00 57.85 57.54 2q4r n ARG 21 Cb 0.29 -5.09 -0.11 0.00 -1.02 0.00 0.00 32.46 26.53 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2q4r s GLN 22 N -5.83 0.37 0.64 5.56 -0.21 -0.60 -5.15 119.66 114.45 2q4r s GLN 22 Ca 0.32 -0.69 -0.15 0.00 0.02 0.00 0.00 55.36 54.86 2q4r s GLN 22 Cb -0.17 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.88 2q4r s GLN 22 CO 0.40 -0.04 1.09 0.21 -2.12 0.00 0.00 175.29 174.82 2q4r s LYS 23 N -1.72 2.99 0.68 2.91 2.20 -1.26 -4.39 119.74 121.15 2q4r s LYS 23 Ca -0.13 1.29 -0.17 0.00 -0.36 0.00 0.00 55.97 56.60 2q4r s LYS 23 Cb -0.08 -1.98 0.01 0.00 -1.51 0.00 0.00 37.83 34.26 2q4r s LYS 23 CO -0.02 -1.09 1.27 1.51 -0.36 0.00 0.00 175.35 176.66 2q4r n ILE 24 N -2.34 4.30 -2.53 5.43 3.06 -1.25 -4.69 119.36 121.34 2q4r n ILE 24 Ca 0.10 -0.44 -0.35 0.00 -2.50 0.00 0.00 62.75 59.56 2q4r n ILE 24 Cb 0.52 -1.42 -0.04 0.00 0.54 0.00 0.00 39.64 39.25 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 -1.55 3.73 0.07 9.51 2.01 -1.26 -4.85 115.64 123.30 2q4r s THR 25 Ca 0.81 1.20 -0.25 0.00 0.31 0.00 0.00 61.69 63.75 2q4r s THR 25 Cb -0.36 -3.56 -0.16 0.00 0.01 0.00 0.00 72.50 68.43 2q4r s THR 25 CO 0.43 -0.11 1.66 0.50 -0.69 0.00 0.00 174.62 176.40 2q4r h LYS 26 N 2.02 -0.21 0.00 4.92 3.64 -2.00 1.04 116.57 125.99 2q4r h LYS 26 Ca -0.49 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2q4r h LYS 26 Cb 1.22 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2q4r h LYS 26 CO 0.61 -0.10 0.00 0.39 -2.27 0.00 0.00 179.45 178.07 2q4r n GLU 27 N -5.16 0.00 0.00 1.90 4.71 -1.26 -0.42 120.64 120.40 2q4r n GLU 27 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 2q4r n GLU 27 Cb 0.13 -0.82 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 2q4r n GLU 27 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2q4r n ASP 29 N 0.25 0.00 -0.01 1.62 2.03 0.36 -1.57 116.55 119.22 2q4r n ASP 29 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2q4r n ASP 29 Cb 0.00 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.54 -0.00 1.67 3.32 -0.97 -2.65 116.42 118.33 2q4r h ASP 30 Ca 0.00 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2q4r h ASP 30 Cb 0.00 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 2q4r h ASP 30 CO 0.00 0.69 -0.40 0.15 -1.72 0.00 0.00 179.24 177.97 2q4r h PHE 31 N 0.51 -1.12 -0.48 4.55 3.57 -1.50 -1.92 116.94 120.55 2q4r h PHE 31 Ca 0.09 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2q4r h PHE 31 Cb 0.51 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2q4r h PHE 31 CO 0.02 -0.48 0.12 -0.07 -2.23 0.00 0.00 178.31 175.67 2q4r h LEU 32 N -0.55 0.72 -1.50 0.59 3.38 -1.83 -1.62 115.31 114.50 2q4r h LEU 32 Ca 0.05 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2q4r h LEU 32 Cb 0.63 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2q4r h LEU 32 CO -0.31 0.76 0.37 1.56 0.09 0.00 0.00 178.44 180.92 2q4r h GLN 33 N 0.64 0.64 0.03 1.13 1.08 -1.33 0.27 115.11 117.57 2q4r h GLN 33 Ca 0.15 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2q4r h GLN 33 Cb 0.32 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2q4r h GLN 33 CO 0.00 0.42 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.07 2q4r h LYS 34 N 0.66 -0.03 -0.55 1.46 3.64 -1.11 -2.77 116.57 117.86 2q4r h LYS 34 Ca 0.23 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2q4r h LYS 34 Cb 0.08 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2q4r h LYS 34 CO -0.06 0.31 0.37 1.25 -2.27 0.00 0.00 179.45 179.06 2q4r h LEU 35 N -0.38 0.32 -1.72 5.20 5.85 -0.31 0.15 115.31 124.42 2q4r h LEU 35 Ca -0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2q4r h LEU 35 Cb 0.36 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2q4r h LEU 35 CO 0.01 0.20 0.23 -0.09 -0.34 0.00 0.00 178.44 178.45 2q4r h ARG 36 N 0.36 0.36 -0.49 1.25 2.43 -0.21 -2.27 114.38 115.81 2q4r h ARG 36 Ca 0.25 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2q4r h ARG 36 Cb 0.53 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.90 2q4r h ARG 36 CO -0.06 0.24 -0.41 0.37 -1.51 0.00 0.00 179.97 178.59 2q4r h GLN 37 N 0.37 -0.26 0.00 0.20 5.75 -0.62 -3.30 115.11 117.25 2q4r h GLN 37 Ca 0.14 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 2q4r h GLN 37 Cb 0.11 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 2q4r h GLN 37 CO -0.03 -0.17 -0.10 1.57 -2.65 0.00 0.00 178.83 177.45 2q4r h LYS 38 N -0.27 0.00 -6.33 1.69 2.10 -1.63 -3.47 116.57 108.67 2q4r h LYS 38 Ca 0.17 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 58.13 2q4r h LYS 38 Cb 0.57 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 31.69 2q4r h LYS 38 CO -0.62 0.21 -0.75 -1.50 -2.00 0.00 0.00 179.45 174.78 2q4r s ILE 39 N -1.77 3.24 0.09 0.07 2.07 -0.88 -4.95 121.20 119.06 2q4r s ILE 39 Ca -0.06 -0.76 -0.31 0.00 -1.41 0.00 0.00 60.65 58.11 2q4r s ILE 39 Cb -0.00 -2.32 -0.11 0.00 0.13 0.00 0.00 42.46 40.16 2q4r s ILE 39 CO 0.16 0.52 1.87 0.29 -1.91 0.00 0.00 174.94 175.87 2q4r n LYS 40 N 2.03 2.75 -4.17 3.50 4.76 -1.13 -3.94 118.16 121.96 2q4r n LYS 40 Ca -0.17 1.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.93 2q4r n LYS 40 Cb 0.52 -2.90 -0.15 0.00 -1.84 0.00 0.00 35.03 30.66 2q4r n LYS 40 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2q4r s ILE 41 N 3.18 2.87 0.42 -0.18 -4.36 -1.26 -1.08 121.20 120.80 2q4r s ILE 41 Ca 0.84 -0.67 0.07 0.00 -0.26 0.00 0.00 60.65 60.63 2q4r s ILE 41 Cb -0.49 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 40.90 2q4r s ILE 41 CO 0.40 0.48 0.11 -0.83 0.24 0.00 0.00 174.94 175.34 2q4r s GLY 42 N 1.19 2.45 0.02 6.27 0.00 0.67 -2.25 107.32 115.67 2q4r s GLY 42 Ca 0.02 -2.04 0.02 0.00 0.00 0.00 0.00 44.72 42.71 2q4r s GLY 42 CO -0.04 -2.01 -0.06 -1.34 0.00 0.00 0.00 173.10 169.65 2q4r s VAL 43 N -2.67 0.41 0.05 1.40 -7.23 -1.01 -0.55 120.40 110.81 2q4r s VAL 43 Ca 0.36 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.96 2q4r s VAL 43 Cb 0.06 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 2q4r s VAL 43 CO 0.19 -0.12 -0.05 0.54 -0.31 0.00 0.00 175.10 175.35 2q4r s VAL 44 N -0.68 0.39 -0.14 1.32 0.11 0.49 -1.81 120.40 120.08 2q4r s VAL 44 Ca -0.04 -1.40 -0.34 0.00 -2.93 0.00 0.00 61.98 57.27 2q4r s VAL 44 Cb -0.05 -0.98 0.13 0.00 -1.53 0.00 0.00 36.38 33.95 2q4r s VAL 44 CO -0.00 -0.67 1.17 -0.83 -3.33 0.00 0.00 175.10 171.44 2q4r s GLY 45 N -2.19 -0.33 0.16 6.54 0.00 -1.10 -2.27 107.32 108.12 2q4r s GLY 45 Ca -0.03 1.39 0.26 0.00 0.00 0.00 0.00 44.72 46.34 2q4r s GLY 45 CO -0.04 0.45 1.78 0.61 0.00 0.00 0.00 173.10 175.90 2q4r n GLY 46 N -0.17 -1.54 3.75 0.20 0.00 -1.26 -1.32 105.19 104.86 2q4r n GLY 46 Ca -0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2q4r n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q4r s SER 47 N -4.06 5.10 0.83 1.61 0.01 -1.26 -3.93 113.70 112.00 2q4r s SER 47 Ca 0.10 2.32 -0.11 0.00 1.31 0.00 0.00 55.95 59.57 2q4r s SER 47 Cb 0.13 -2.59 0.12 0.00 0.21 0.00 0.00 66.02 63.89 2q4r s SER 47 CO 0.52 -1.65 1.18 1.51 0.41 0.00 0.00 173.24 175.21 2q4r s ASP 48 N -1.78 4.11 0.12 2.44 1.47 -1.26 -0.48 116.67 121.30 2q4r s ASP 48 Ca 0.75 0.46 -0.27 0.00 1.18 0.00 0.00 52.55 54.68 2q4r s ASP 48 Cb -0.28 -0.84 -0.07 0.00 -0.34 0.00 0.00 42.92 41.39 2q4r s ASP 48 CO 0.35 -2.10 1.63 0.15 0.68 0.00 0.00 175.17 175.87 2q4r h PHE 49 N -1.11 -0.79 -0.70 2.11 3.57 -1.95 0.88 116.94 118.96 2q4r h PHE 49 Ca -0.44 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.22 2q4r h PHE 49 Cb 1.29 0.34 -0.11 0.00 2.79 0.00 0.00 35.95 40.26 2q4r h PHE 49 CO -0.19 -0.39 0.12 1.49 -2.23 0.00 0.00 178.31 177.11 2q4r h GLU 50 N -0.48 0.22 -0.30 1.11 4.81 -2.01 -0.56 114.58 117.37 2q4r h GLU 50 Ca 0.04 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2q4r h GLU 50 Cb 0.53 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2q4r h GLU 50 CO -0.20 0.14 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.74 2q4r h LYS 51 N 0.22 0.61 -0.39 1.92 1.63 -1.56 -2.99 116.57 116.00 2q4r h LYS 51 Ca 0.38 -0.25 -0.09 0.00 -0.85 0.00 0.00 60.65 59.84 2q4r h LYS 51 Cb 0.64 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2q4r h LYS 51 CO -0.51 0.82 -0.13 0.28 -3.45 0.00 0.00 179.45 176.46 2q4r h VAL 52 N 0.53 1.25 0.12 2.00 2.07 0.23 -2.88 116.25 119.57 2q4r h VAL 52 Ca 0.07 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2q4r h VAL 52 Cb 0.73 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2q4r h VAL 52 CO 0.06 0.39 -0.06 1.56 0.02 0.00 0.00 177.57 179.54 2q4r h GLN 53 N 0.64 -0.15 -0.81 1.57 4.20 -1.19 0.80 115.11 120.17 2q4r h GLN 53 Ca 0.11 0.01 0.18 0.00 0.06 0.00 0.00 58.65 59.00 2q4r h GLN 53 Cb 0.59 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 28.25 2q4r h GLN 53 CO 0.04 -0.05 -0.13 0.93 -0.67 0.00 0.00 178.83 178.95 2q4r h GLU 54 N -0.22 0.03 0.03 1.46 5.08 -1.38 1.53 114.58 121.10 2q4r h GLU 54 Ca -0.02 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 2q4r h GLU 54 Cb 0.18 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.43 2q4r h GLU 54 CO 0.03 0.02 -0.70 1.96 -1.00 0.00 0.00 179.01 179.32 2q4r h GLN 55 N 0.03 0.42 -0.01 2.33 4.20 -1.23 -3.38 115.11 117.46 2q4r h GLN 55 Ca 0.42 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2q4r h GLN 55 Cb 0.69 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2q4r h GLN 55 CO -0.80 1.16 -0.24 1.28 -0.67 0.00 0.00 178.83 179.56 2q4r n LEU 56 N -4.16 1.86 0.00 1.46 4.77 0.27 -3.84 117.00 117.37 2q4r n LEU 56 Ca -0.11 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2q4r n LEU 56 Cb 0.73 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 2q4r n LEU 56 CO 0.48 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2q4r n GLY 57 N 1.10 2.25 0.45 -0.72 0.00 0.52 -4.50 105.19 104.28 2q4r n GLY 57 Ca 0.08 -1.27 0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.56 1.61 2.35 -1.92 1.15 115.58 118.21 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 -3.03 4.81 -0.20 5.81 5.75 -1.26 -4.77 116.55 123.65 2q4r n ASP 59 Ca 0.13 -2.63 0.14 0.00 -0.01 0.00 0.00 54.79 52.43 2q4r n ASP 59 Cb 1.22 -0.58 0.27 0.00 -1.03 0.00 0.00 41.12 41.00 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 0.73 -0.26 0.32 2.12 3.14 0.40 0.14 118.33 124.92 2q4r n VAL 60 Ca 0.25 1.29 0.03 0.00 -2.96 0.00 0.00 64.34 62.95 2q4r n VAL 60 Cb 0.95 -1.99 0.17 0.00 -1.06 0.00 0.00 33.84 31.91 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 -4.58 0.68 0.01 1.55 0.24 -1.26 -1.69 118.33 113.28 2q4r n VAL 61 Ca 0.19 0.17 0.08 0.00 -2.04 0.00 0.00 64.34 62.74 2q4r n VAL 61 Cb 0.63 -1.07 -0.12 0.00 -1.47 0.00 0.00 33.84 31.81 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 -1.21 0.52 0.03 7.34 1.02 0.12 -3.39 120.64 125.06 2q4r n GLU 62 Ca 0.03 -0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 56.90 2q4r n GLU 62 Cb 0.04 -1.38 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 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 0.12 -6.49 3.49 1.79 -1.42 -3.47 116.57 110.59 2q4r h LYS 63 Ca 0.00 -0.21 -0.69 0.00 -2.18 0.00 0.00 60.65 57.57 2q4r h LYS 63 Cb 0.73 0.08 -0.24 0.00 -1.58 0.00 0.00 32.23 31.22 2q4r h LYS 63 CO 0.00 0.89 -0.81 0.71 -1.08 0.00 0.00 179.45 179.16 2q4r s TYR 64 N -2.62 2.57 0.41 -1.35 2.02 -1.09 -4.83 117.35 112.47 2q4r s TYR 64 Ca -0.07 -0.25 0.15 0.00 -0.37 0.00 0.00 57.07 56.53 2q4r s TYR 64 Cb 0.08 -1.53 0.95 0.00 -0.40 0.00 0.00 41.96 41.06 2q4r s TYR 64 CO 0.83 0.18 1.94 -0.44 -1.57 0.00 0.00 175.55 176.48 2q4r h ASP 65 N 4.99 0.00 -3.77 2.29 3.32 -1.79 -3.42 116.42 118.04 2q4r h ASP 65 Ca -0.46 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.28 2q4r h ASP 65 Cb 1.15 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.40 2q4r h ASP 65 CO 0.48 0.25 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.20 2q4r s TYR 66 N -4.40 0.33 -0.06 4.55 2.02 -1.26 -2.60 117.35 115.93 2q4r s TYR 66 Ca -0.03 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2q4r s TYR 66 Cb 0.15 -0.25 0.03 0.00 -0.40 0.00 0.00 41.96 41.48 2q4r s TYR 66 CO 0.69 -0.03 -0.00 0.08 -1.57 0.00 0.00 175.55 174.72 2q4r s VAL 67 N 0.14 0.35 -0.53 0.71 1.01 -0.79 -2.39 120.40 118.90 2q4r s VAL 67 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2q4r s VAL 67 Cb -0.04 -0.47 0.15 0.00 0.00 0.00 0.00 36.38 36.01 2q4r s VAL 67 CO -0.00 0.23 0.32 -0.36 0.00 0.00 0.00 175.10 175.29 2q4r s PHE 68 N 1.62 2.60 0.65 5.22 0.08 -0.75 -1.92 117.98 125.47 2q4r s PHE 68 Ca -0.01 -2.84 -0.13 0.00 0.12 0.00 0.00 56.93 54.07 2q4r s PHE 68 Cb -0.13 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2q4r s PHE 68 CO -0.03 -0.71 1.06 -2.14 -0.10 0.00 0.00 175.22 173.29 2q4r s PRO 69 N -0.32 3.12 -1.31 0.24 0.02 -1.12 -2.72 135.00 132.90 2q4r s PRO 69 Ca 0.21 1.05 -0.05 0.00 0.02 0.00 0.00 61.00 62.23 2q4r s PRO 69 Cb -0.16 -2.01 -0.00 0.00 0.02 0.00 0.00 34.50 32.34 2q4r s PRO 69 CO -0.07 -0.96 0.58 0.39 -0.33 0.00 0.00 177.00 176.62 2q4r n GLU 70 N -2.66 -3.15 -2.98 5.54 1.02 0.37 -1.30 120.64 117.48 2q4r n GLU 70 Ca 0.08 0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 57.53 2q4r n GLU 70 Cb 0.53 -4.59 -0.01 0.00 -0.02 0.00 0.00 31.44 27.35 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 -2.93 -2.92 0.00 1.62 3.02 -0.43 0.04 115.26 113.66 2q4r n ASN 71 Ca -0.25 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 2q4r n ASN 71 Cb 0.66 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.34 2q4r n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4r n GLY 72 N -0.89 0.76 0.20 7.41 0.00 -0.42 -2.73 105.19 109.53 2q4r n GLY 72 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -8.74 0.99 3.38 -0.30 -3.36 115.31 107.28 2q4r h LEU 73 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2q4r h LEU 73 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 2q4r h LEU 73 CO 0.00 0.29 -0.67 -0.69 0.09 0.00 0.00 178.44 177.46 2q4r s VAL 74 N -4.35 3.86 0.00 1.22 1.01 -1.10 -2.10 120.40 118.93 2q4r s VAL 74 Ca -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2q4r s VAL 74 Cb 0.15 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2q4r s VAL 74 CO 0.71 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 176.22 2q4r s ALA 75 N 0.74 0.41 0.06 5.51 0.00 -0.55 -2.80 121.76 125.13 2q4r s ALA 75 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2q4r s ALA 75 Cb -0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2q4r s ALA 75 CO 0.02 0.08 -0.08 0.71 0.00 0.00 0.00 175.76 176.49 2q4r s TYR 76 N -0.25 0.80 -0.27 0.00 2.02 -0.81 -1.31 117.35 117.52 2q4r s TYR 76 Ca 0.00 -0.60 -0.24 0.00 -0.37 0.00 0.00 57.07 55.87 2q4r s TYR 76 Cb -0.03 -0.47 0.09 0.00 -0.40 0.00 0.00 41.96 41.15 2q4r s TYR 76 CO -0.00 -0.08 0.80 0.21 -1.57 0.00 0.00 175.55 174.91 2q4r s LYS 77 N -2.19 0.73 0.00 -0.62 2.20 -0.92 -1.89 119.74 117.05 2q4r s LYS 77 Ca -0.03 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 2q4r s LYS 77 Cb -0.06 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 2q4r s LYS 77 CO -0.01 -0.09 0.00 -0.25 -0.36 0.00 0.00 175.35 174.64 2q4r n ASP 78 N 2.78 0.00 0.00 1.43 8.00 -1.07 -0.84 116.55 126.85 2q4r n ASP 78 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2q4r n ASP 78 Cb 0.56 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 2q4r n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 79 N -2.00 0.59 3.87 0.44 0.00 -1.22 -4.99 105.19 101.88 2q4r n GLY 79 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.65 3.83 -0.04 1.61 2.20 -0.02 -4.94 119.74 121.73 2q4r s LYS 80 Ca 0.00 0.48 -0.06 0.00 -0.36 0.00 0.00 55.97 56.03 2q4r s LYS 80 Cb 0.00 -2.44 -0.23 0.00 -1.51 0.00 0.00 37.83 33.65 2q4r s LYS 80 CO 0.00 0.06 3.51 -0.11 -0.36 0.00 0.00 175.35 178.45 2q4r n LEU 81 N -0.94 5.34 0.00 5.43 0.00 -1.26 -2.16 117.00 123.41 2q4r n LEU 81 Ca 0.02 -3.23 0.00 0.00 0.00 0.00 0.00 56.01 52.80 2q4r n LEU 81 Cb 0.54 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.56 2q4r n LEU 81 CO 0.46 1.68 0.00 -0.11 0.00 0.00 0.00 177.39 179.42 2q4r n LEU 82 N 2.34 0.00 -4.06 -1.96 7.94 -0.43 -4.58 117.00 116.26 2q4r n LEU 82 Ca 0.42 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.22 2q4r n LEU 82 Cb 0.88 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.72 2q4r n LEU 82 CO 0.13 0.00 -0.38 0.00 -1.11 0.00 0.00 177.39 176.03 2q4r s ARG 84 N -2.26 1.16 -0.22 0.00 0.52 -1.26 -1.48 118.95 115.41 2q4r s ARG 84 Ca -0.06 -0.75 -0.21 0.00 -0.52 0.00 0.00 55.73 54.19 2q4r s ARG 84 Cb -0.05 -1.18 0.06 0.00 0.52 0.00 0.00 34.95 34.30 2q4r s ARG 84 CO -0.02 0.31 0.60 -1.14 0.02 0.00 0.00 175.30 175.06 2q4r s GLN 85 N -0.92 0.71 0.19 3.54 2.00 -0.89 -5.02 119.66 119.27 2q4r s GLN 85 Ca 0.05 0.81 0.02 0.00 -2.00 0.00 0.00 55.36 54.23 2q4r s GLN 85 Cb -0.08 0.35 -0.05 0.00 0.80 0.00 0.00 33.01 34.03 2q4r s GLN 85 CO 0.01 -0.09 0.02 0.54 -0.50 0.00 0.00 175.29 175.27 2q4r s ASN 86 N 0.26 1.22 0.31 6.67 2.20 -1.26 -4.74 114.94 119.59 2q4r s ASN 86 Ca -0.00 -1.21 0.02 0.00 -0.94 0.00 0.00 52.86 50.72 2q4r s ASN 86 Cb -0.04 0.13 0.51 0.00 -2.00 0.00 0.00 41.25 39.85 2q4r s ASN 86 CO 0.01 -0.60 1.85 -0.29 -2.94 0.00 0.00 177.10 175.13 2q4r h ILE 87 N 2.63 1.21 -0.17 0.54 2.10 0.91 -2.82 117.51 121.91 2q4r h ILE 87 Ca -0.37 -0.82 -0.05 0.00 1.08 0.00 0.00 64.86 64.71 2q4r h ILE 87 Cb 1.21 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 2q4r h ILE 87 CO 0.62 0.29 -0.11 0.06 -1.08 0.00 0.00 178.15 177.94 2q4r h GLN 88 N 0.62 0.27 0.00 2.19 -0.00 -1.91 -1.77 115.11 114.51 2q4r h GLN 88 Ca 0.13 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2q4r h GLN 88 Cb 0.33 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2q4r h GLN 88 CO 0.01 0.39 0.00 0.77 -0.00 0.00 0.00 178.83 180.00 2q4r h SER 89 N 0.26 0.00 0.00 0.06 0.02 -1.86 -2.86 113.55 109.16 2q4r h SER 89 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2q4r h SER 89 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2q4r h SER 89 CO 0.02 0.00 -0.10 -0.74 -1.14 0.00 0.00 176.83 174.87 2q4r h HIS 90 N 0.00 0.00 0.00 3.45 6.17 -1.30 -3.39 115.15 120.08 2q4r h HIS 90 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2q4r h HIS 90 Cb 0.78 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.71 2q4r h HIS 90 CO 0.00 0.00 0.00 -0.07 0.71 0.00 0.00 177.93 178.57 2q4r h LEU 91 N -0.34 0.00 0.00 0.26 3.38 -1.62 -3.49 115.31 113.50 2q4r h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q4r h LEU 91 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2q4r h LEU 91 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2q4r n GLY 92 N -0.18 -1.12 0.25 0.83 0.00 -1.08 -4.33 105.19 99.56 2q4r n GLY 92 Ca 0.01 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 0.24 0.24 1.61 4.39 -1.95 -3.03 114.58 116.08 2q4r h GLU 93 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2q4r h GLU 93 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2q4r h GLU 93 CO 0.00 0.32 -0.12 0.00 -1.16 0.00 0.00 179.01 178.06 2q4r h ALA 94 N 1.71 -0.33 -0.39 3.43 0.00 -1.96 -2.48 119.26 119.24 2q4r h ALA 94 Ca 0.05 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2q4r h ALA 94 Cb 0.27 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2q4r h ALA 94 CO 0.01 -0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.02 2q4r h LEU 95 N -0.73 -0.19 -0.78 0.00 5.85 -1.75 0.20 115.31 117.90 2q4r h LEU 95 Ca -0.03 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.94 2q4r h LEU 95 Cb 0.49 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.55 2q4r h LEU 95 CO 0.05 -0.06 -0.22 0.40 -0.34 0.00 0.00 178.44 178.28 2q4r h ILE 96 N 0.09 0.20 0.66 4.05 1.08 -1.54 0.11 117.51 122.16 2q4r h ILE 96 Ca 0.19 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.63 2q4r h ILE 96 Cb 0.28 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 2q4r h ILE 96 CO -0.34 0.00 -0.36 1.56 -0.69 0.00 0.00 178.15 178.33 2q4r h GLN 97 N -0.01 -0.90 -1.00 2.37 4.20 -0.51 0.11 115.11 119.35 2q4r h GLN 97 Ca 0.37 0.06 0.12 0.00 0.06 0.00 0.00 58.65 59.26 2q4r h GLN 97 Cb 0.58 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 28.48 2q4r h GLN 97 CO -0.81 -0.60 0.63 -0.44 -0.67 0.00 0.00 178.83 176.94 2q4r h ASP 98 N -0.94 0.92 0.04 1.46 3.45 -0.50 0.46 116.42 121.31 2q4r h ASP 98 Ca -0.09 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.42 2q4r h ASP 98 Cb 0.74 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 2q4r h ASP 98 CO 0.12 0.49 -0.02 -0.07 -1.57 0.00 0.00 179.24 178.19 2q4r h LEU 99 N 0.99 -0.05 0.12 1.55 3.38 -0.54 0.14 115.31 120.91 2q4r h LEU 99 Ca 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2q4r h LEU 99 Cb 0.50 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2q4r h LEU 99 CO -0.27 0.18 -0.06 0.40 0.09 0.00 0.00 178.44 178.78 2q4r h ILE 100 N -0.27 0.94 -0.88 1.22 2.04 -0.11 0.05 117.51 120.50 2q4r h ILE 100 Ca -0.01 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2q4r h ILE 100 Cb 0.25 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 2q4r h ILE 100 CO 0.01 0.05 0.55 0.78 0.00 0.00 0.00 178.15 179.55 2q4r h ASN 101 N -0.26 0.88 0.67 1.72 2.35 -0.11 0.26 115.58 121.07 2q4r h ASN 101 Ca -0.02 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2q4r h ASN 101 Cb 0.21 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2q4r h ASN 101 CO 0.03 0.56 -0.38 0.22 -1.65 0.00 0.00 177.43 176.22 2q4r h TYR 102 N 1.01 -0.99 -0.91 1.19 3.20 -0.36 -0.82 116.97 119.29 2q4r h TYR 102 Ca 0.38 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.31 2q4r h TYR 102 Cb 0.16 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 2q4r h TYR 102 CO -0.03 -0.58 0.57 0.00 -1.64 0.00 0.00 178.16 176.48 2q4r h LEU 104 N 1.01 -0.43 -0.40 0.00 3.38 -0.17 -2.12 115.31 116.57 2q4r h LEU 104 Ca 0.40 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 2q4r h LEU 104 Cb 0.22 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2q4r h LEU 104 CO -0.19 -0.19 0.21 0.28 0.09 0.00 0.00 178.44 178.64 2q4r h SER 105 N -0.20 0.51 0.04 -0.43 0.02 -0.74 -2.71 113.55 110.04 2q4r h SER 105 Ca 0.07 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2q4r h SER 105 Cb 0.30 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2q4r h SER 105 CO -0.20 0.48 -0.34 0.22 -1.14 0.00 0.00 176.83 175.85 2q4r h TYR 106 N 0.51 -0.95 -0.85 3.45 3.20 -1.04 -2.09 116.97 119.20 2q4r h TYR 106 Ca 0.14 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.18 2q4r h TYR 106 Cb 0.09 0.41 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 2q4r h TYR 106 CO -0.02 -0.44 0.45 0.82 -1.64 0.00 0.00 178.16 177.33 2q4r h ILE 107 N -0.52 0.75 -0.06 1.81 2.04 -1.33 0.14 117.51 120.34 2q4r h ILE 107 Ca 0.05 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.70 2q4r h ILE 107 Cb 0.59 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2q4r h ILE 107 CO -0.25 0.12 0.04 0.00 0.00 0.00 0.00 178.15 178.05 2q4r h ALA 108 N 1.55 2.05 0.00 1.87 0.00 -1.06 -1.93 119.26 121.74 2q4r h ALA 108 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2q4r h ALA 108 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2q4r h ALA 108 CO -0.35 -0.07 -0.73 1.63 0.00 0.00 0.00 179.25 179.73 2q4r n LYS 109 N -4.52 0.15 -2.37 0.00 5.02 0.40 -4.91 118.16 111.92 2q4r n LYS 109 Ca -0.02 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2q4r n LYS 109 Cb 0.14 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 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 -3.10 3.29 -0.33 -0.18 1.01 -0.64 -5.00 121.20 116.25 2q4r s ILE 110 Ca 0.07 1.20 -0.13 0.00 0.00 0.00 0.00 60.65 61.80 2q4r s ILE 110 Cb 0.16 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 2q4r s ILE 110 CO 0.75 0.22 0.27 -0.54 0.00 0.00 0.00 174.94 175.64 2q4r s LYS 111 N -1.84 3.60 0.14 2.79 -0.14 -1.26 -5.01 119.74 118.02 2q4r s LYS 111 Ca 0.50 -0.52 0.04 0.00 -1.36 0.00 0.00 55.97 54.64 2q4r s LYS 111 Cb -0.32 -3.78 -0.04 0.00 -1.68 0.00 0.00 37.83 32.01 2q4r s LYS 111 CO 0.41 -0.42 -0.10 -0.51 -0.76 0.00 0.00 175.35 173.97 2q4r s LEU 112 N 1.81 2.52 0.26 3.17 1.43 -1.26 -5.02 118.68 121.59 2q4r s LEU 112 Ca 0.08 -1.00 0.07 0.00 -1.03 0.00 0.00 54.13 52.25 2q4r s LEU 112 Cb -0.17 -0.33 0.31 0.00 0.03 0.00 0.00 46.19 46.03 2q4r s LEU 112 CO 0.11 -0.33 1.59 1.55 0.23 0.00 0.00 176.35 179.50 2q4r h PRO 113 N 2.83 0.15 -3.99 1.29 0.13 -2.01 -3.45 132.00 126.95 2q4r h PRO 113 Ca -0.37 -0.10 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 2q4r h PRO 113 Cb 1.19 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2q4r h PRO 113 CO 0.63 0.70 -0.60 0.15 -0.23 0.00 0.00 178.00 178.65 2q4r s LYS 114 N -3.73 0.56 -0.09 0.86 1.02 -1.26 -5.15 119.74 111.95 2q4r s LYS 114 Ca -0.03 -0.91 -0.05 0.00 0.02 0.00 0.00 55.97 55.00 2q4r s LYS 114 Cb 0.12 0.21 0.04 0.00 -0.52 0.00 0.00 37.83 37.68 2q4r s LYS 114 CO 0.78 -0.12 0.21 0.21 -0.92 0.00 0.00 175.35 175.51 2q4r s LYS 115 N -2.96 0.18 0.00 1.68 2.20 -1.26 -4.93 119.74 114.66 2q4r s LYS 115 Ca -0.02 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 2q4r s LYS 115 Cb 0.01 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 2q4r s LYS 115 CO -0.06 -0.13 0.00 0.54 -0.36 0.00 0.00 175.35 175.33 2q4r n ARG 116 N 3.96 0.00 -0.89 4.03 5.12 -1.00 -5.10 116.66 122.77 2q4r n ARG 116 Ca -0.23 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 2q4r n ARG 116 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 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 4.72 2.09 3.77 -0.13 0.00 -1.26 -4.98 105.19 109.40 2q4r n GLY 117 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 -5.20 0.34 2.61 -1.04 -1.26 -1.47 114.28 108.26 2q4r n THR 118 Ca 0.00 -0.89 0.14 0.00 -2.04 0.00 0.00 64.05 61.26 2q4r n THR 118 Cb 0.00 -3.91 0.41 0.00 -1.82 0.00 0.00 70.33 65.01 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 -2.05 0.00 -3.33 -1.42 0.04 -1.90 0.22 116.94 108.49 2q4r h PHE 119 Ca -0.68 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 59.74 2q4r h PHE 119 Cb 1.37 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 39.14 2q4r h PHE 119 CO 0.35 0.00 -0.74 0.42 -0.60 0.00 0.00 178.31 177.74 2q4r s ILE 120 N -3.34 -0.11 -0.31 -0.55 1.01 -1.26 -0.35 121.20 116.30 2q4r s ILE 120 Ca 0.06 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 2q4r s ILE 120 Cb 0.08 -0.14 0.05 0.00 0.01 0.00 0.00 42.46 42.46 2q4r s ILE 120 CO 0.58 0.17 0.02 -0.70 0.00 0.00 0.00 174.94 175.00 2q4r s GLU 121 N 2.03 2.48 -0.04 2.79 2.12 0.76 -4.96 118.70 123.88 2q4r s GLU 121 Ca 0.03 -1.24 -0.30 0.00 0.36 0.00 0.00 54.97 53.82 2q4r s GLU 121 Cb -0.12 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2q4r s GLU 121 CO -0.03 -0.62 1.09 0.12 -0.54 0.00 0.00 175.26 175.28 2q4r s PHE 122 N 1.29 3.43 0.16 5.30 5.36 -1.26 -0.90 117.98 131.36 2q4r s PHE 122 Ca -0.04 1.45 0.07 0.00 -0.96 0.00 0.00 56.93 57.44 2q4r s PHE 122 Cb -0.20 -3.29 -0.04 0.00 -0.34 0.00 0.00 43.02 39.16 2q4r s PHE 122 CO -0.00 -0.70 -0.14 1.03 -1.46 0.00 0.00 175.22 173.95 2q4r s ARG 123 N 1.67 1.18 0.35 10.12 0.52 -1.26 -4.99 118.95 126.55 2q4r s ARG 123 Ca 0.53 -1.43 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 2q4r s ARG 123 Cb -0.23 -0.98 0.72 0.00 0.52 0.00 0.00 34.95 34.98 2q4r s ARG 123 CO 0.23 0.17 1.95 -0.91 0.02 0.00 0.00 175.30 176.76 2q4r h ASN 124 N 2.98 0.69 -0.09 0.23 2.35 -1.96 -3.42 115.58 116.36 2q4r h ASN 124 Ca -0.39 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2q4r h ASN 124 Cb 1.21 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2q4r h ASN 124 CO 0.57 0.44 0.00 0.61 -1.65 0.00 0.00 177.43 177.41 2q4r n GLY 125 N -1.44 1.06 3.27 2.83 0.00 -1.26 0.14 105.19 109.78 2q4r n GLY 125 Ca 0.11 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.91 3.29 -0.28 0.99 1.43 -0.08 -4.45 118.68 117.67 2q4r s LEU 127 Ca 0.31 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 2q4r s LEU 127 Cb 0.21 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2q4r s LEU 127 CO 0.30 -0.11 0.53 0.21 0.23 0.00 0.00 176.35 177.52 2q4r s ASN 128 N 1.42 6.43 0.16 2.29 3.04 -0.08 -1.72 114.94 126.48 2q4r s ASN 128 Ca 0.03 0.43 0.05 0.00 0.04 0.00 0.00 52.86 53.40 2q4r s ASN 128 Cb -0.16 -2.29 -0.04 0.00 -1.54 0.00 0.00 41.25 37.22 2q4r s ASN 128 CO -0.02 -0.35 0.11 -0.69 -3.04 0.00 0.00 177.10 173.11 2q4r s VAL 129 N 2.37 4.37 -0.29 -5.21 1.01 0.31 -0.17 120.40 122.79 2q4r s VAL 129 Ca 0.21 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2q4r s VAL 129 Cb -0.15 -3.21 0.19 0.00 0.00 0.00 0.00 36.38 33.20 2q4r s VAL 129 CO 0.10 -0.09 0.57 -0.55 0.00 0.00 0.00 175.10 175.14 2q4r s SER 130 N -3.01 -1.32 0.43 3.32 0.15 0.52 -0.92 113.70 112.87 2q4r s SER 130 Ca 0.30 0.45 0.24 0.00 0.70 0.00 0.00 55.95 57.64 2q4r s SER 130 Cb -0.10 2.00 1.24 0.00 -1.71 0.00 0.00 66.02 67.45 2q4r s SER 130 CO 0.22 -0.29 1.76 -0.65 1.20 0.00 0.00 173.24 175.49 2q4r h PRO 131 N 8.02 0.26 0.00 5.44 0.11 -1.83 0.58 132.00 144.58 2q4r h PRO 131 Ca -0.12 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.72 2q4r h PRO 131 Cb 1.17 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2q4r h PRO 131 CO 0.21 0.17 -1.53 0.97 -0.21 0.00 0.00 178.00 177.62 2q4r h ILE 132 N 0.27 0.98 0.00 4.15 6.09 -1.92 -3.46 117.51 123.61 2q4r h ILE 132 Ca 0.62 -2.76 0.00 0.00 -1.37 0.00 0.00 64.86 61.35 2q4r h ILE 132 Cb 1.82 2.46 0.00 0.00 0.47 0.00 0.00 36.82 41.57 2q4r h ILE 132 CO -0.25 0.56 0.00 0.61 -3.07 0.00 0.00 178.15 175.99 2q4r n GLY 133 N 1.49 2.53 0.18 8.18 0.00 0.20 -2.38 105.19 115.40 2q4r n GLY 133 Ca -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 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 0.26 0.00 1.61 3.08 0.58 -3.34 114.38 116.57 2q4r h ARG 134 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2q4r h ARG 134 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2q4r h ARG 134 CO 0.00 0.73 0.56 -1.13 -1.07 0.00 0.00 179.97 179.06 2q4r n SER 135 N -3.93 0.00 -3.02 7.04 3.41 -1.17 -4.74 113.62 111.21 2q4r n SER 135 Ca -0.02 0.16 -0.31 0.00 -0.26 0.00 0.00 58.87 58.44 2q4r n SER 135 Cb 0.57 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2q4r n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q4r n SER 137 N 1.51 0.00 0.00 0.00 3.41 -1.26 -4.89 113.62 112.39 2q4r n SER 137 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2q4r n SER 137 Cb 0.23 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2q4r n SER 137 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2q4r n GLN 138 N -1.46 0.00 0.33 4.33 0.00 -1.26 -4.76 117.38 114.56 2q4r n GLN 138 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.00 57.22 2q4r n GLN 138 Cb 0.00 0.00 1.16 0.00 0.00 0.00 0.00 30.24 31.40 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 0.00 0.24 3.69 5.08 -2.00 -2.42 114.58 119.18 2q4r h GLU 139 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2q4r h GLU 139 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2q4r h GLU 139 CO 0.00 0.00 -0.12 0.93 -1.00 0.00 0.00 179.01 178.83 2q4r h GLU 140 N 0.00 -0.31 -0.25 2.33 5.08 -1.97 -2.37 114.58 117.09 2q4r h GLU 140 Ca -0.00 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2q4r h GLU 140 Cb 0.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2q4r h GLU 140 CO 0.00 0.03 -0.12 -0.09 -1.00 0.00 0.00 179.01 177.83 2q4r h ARG 141 N -0.73 0.41 0.02 2.33 2.43 -1.74 -1.77 114.38 115.34 2q4r h ARG 141 Ca -0.03 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2q4r h ARG 141 Cb 0.49 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2q4r h ARG 141 CO 0.05 0.54 -0.01 0.82 -1.51 0.00 0.00 179.97 179.87 2q4r h ILE 142 N 0.39 1.16 -0.07 1.20 1.08 -1.48 -1.63 117.51 118.16 2q4r h ILE 142 Ca 0.07 -0.55 0.03 0.00 -0.39 0.00 0.00 64.86 64.03 2q4r h ILE 142 Cb 0.45 1.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 2q4r h ILE 142 CO 0.03 0.14 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.42 2q4r h GLU 143 N -0.27 -0.17 0.02 2.37 4.81 -1.32 -1.44 114.58 118.57 2q4r h GLU 143 Ca -0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2q4r h GLU 143 Cb 0.25 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 2q4r h GLU 143 CO 0.00 -0.11 -0.36 0.35 -0.73 0.00 0.00 179.01 178.16 2q4r h PHE 144 N -0.18 -1.01 -0.67 0.92 3.57 -1.24 -1.55 116.94 116.79 2q4r h PHE 144 Ca 0.07 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.70 2q4r h PHE 144 Cb 0.27 0.44 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2q4r h PHE 144 CO -0.21 -0.45 0.44 -0.92 -2.23 0.00 0.00 178.31 174.93 2q4r h TYR 145 N -0.53 0.53 -0.30 0.41 3.20 -1.10 0.33 116.97 119.52 2q4r h TYR 145 Ca 0.05 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2q4r h TYR 145 Cb 0.61 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2q4r h TYR 145 CO -0.37 0.25 0.10 1.49 -1.64 0.00 0.00 178.16 177.99 2q4r h GLU 146 N 0.50 0.23 0.06 1.82 4.81 -0.25 0.63 114.58 122.38 2q4r h GLU 146 Ca 0.31 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2q4r h GLU 146 Cb 0.54 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2q4r h GLU 146 CO -0.10 0.15 -0.03 1.25 -0.73 0.00 0.00 179.01 179.56 2q4r h LEU 147 N 0.24 -0.06 -0.80 1.64 5.85 -0.78 -1.86 115.31 119.53 2q4r h LEU 147 Ca 0.13 -0.10 0.19 0.00 0.84 0.00 0.00 57.88 58.93 2q4r h LEU 147 Cb 0.10 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.03 2q4r h LEU 147 CO -0.13 0.06 0.22 -0.78 -0.34 0.00 0.00 178.44 177.47 2q4r h ASP 148 N -0.19 0.05 0.08 1.25 3.58 0.11 1.07 116.42 122.36 2q4r h ASP 148 Ca -0.01 0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 2q4r h ASP 148 Cb 0.16 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2q4r h ASP 148 CO 0.01 -0.06 -0.15 0.11 -2.88 0.00 0.00 179.24 176.27 2q4r h LYS 149 N 0.28 0.16 0.04 0.28 1.57 0.63 0.69 116.57 120.21 2q4r h LYS 149 Ca 0.47 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.12 2q4r h LYS 149 Cb 0.85 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2q4r h LYS 149 CO -0.55 0.32 -0.45 -0.22 -0.57 0.00 0.00 179.45 177.97 2q4r h LYS 150 N 0.15 0.08 -0.01 3.15 3.64 0.15 -3.39 116.57 120.34 2q4r h LYS 150 Ca 0.03 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2q4r h LYS 150 Cb 0.36 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2q4r h LYS 150 CO 0.02 1.07 -0.51 0.39 -2.27 0.00 0.00 179.45 178.15 2q4r n GLU 151 N -4.43 1.37 -3.86 1.90 -0.58 0.29 -5.01 120.64 110.31 2q4r n GLU 151 Ca -0.15 -0.68 -0.32 0.00 -0.42 0.00 0.00 57.16 55.59 2q4r n GLU 151 Cb 0.61 -1.36 0.01 0.00 -0.57 0.00 0.00 31.44 30.13 2q4r n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2q4r n ASN 152 N -0.40 -3.19 -0.16 1.62 4.13 0.24 -4.87 115.26 112.62 2q4r n ASN 152 Ca 0.07 -1.07 -0.08 0.00 1.68 0.00 0.00 54.58 55.17 2q4r n ASN 152 Cb 0.37 -2.92 0.01 0.00 -1.54 0.00 0.00 39.78 35.70 2q4r n ASN 152 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2q4r h ILE 153 N -2.00 1.19 -0.08 2.41 1.08 -1.87 -3.03 117.51 115.22 2q4r h ILE 153 Ca -0.66 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.23 2q4r h ILE 153 Cb 1.37 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2q4r h ILE 153 CO 0.54 0.22 0.02 0.03 -0.69 0.00 0.00 178.15 178.27 2q4r h ARG 154 N 0.62 0.13 -0.94 2.37 3.08 -1.89 0.26 114.38 118.00 2q4r h ARG 154 Ca 0.16 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.24 2q4r h ARG 154 Cb 0.14 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 2q4r h ARG 154 CO -0.02 0.32 0.61 0.37 -1.07 0.00 0.00 179.97 180.18 2q4r h GLN 155 N -0.09 1.06 0.10 0.04 4.15 -1.94 -0.24 115.11 118.19 2q4r h GLN 155 Ca 0.02 -0.06 -0.28 0.00 0.77 0.00 0.00 58.65 59.10 2q4r h GLN 155 Cb 0.25 -0.24 0.02 0.00 0.21 0.00 0.00 27.48 27.72 2q4r h GLN 155 CO 0.00 0.70 -1.19 -0.22 -1.93 0.00 0.00 178.83 176.19 2q4r h LYS 156 N 1.09 0.53 -0.16 1.69 3.64 -1.50 -0.37 116.57 121.48 2q4r h LYS 156 Ca 0.40 -0.70 0.05 0.00 -1.27 0.00 0.00 60.65 59.13 2q4r h LYS 156 Cb 0.18 0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 2q4r h LYS 156 CO -0.15 1.30 -0.36 0.35 -2.27 0.00 0.00 179.45 178.32 2q4r h PHE 157 N 0.24 -1.01 -0.10 1.91 3.04 -0.34 -0.13 116.94 120.54 2q4r h PHE 157 Ca -0.16 0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.86 2q4r h PHE 157 Cb 1.86 0.47 -0.03 0.00 2.56 0.00 0.00 35.95 40.81 2q4r h PHE 157 CO 0.10 -0.43 -0.09 0.28 -2.02 0.00 0.00 178.31 176.15 2q4r h VAL 158 N -0.42 0.74 -0.79 1.41 2.07 -1.06 -1.69 116.25 116.51 2q4r h VAL 158 Ca 0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.77 2q4r h VAL 158 Cb 0.58 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 2q4r h VAL 158 CO -0.39 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.53 2q4r h ALA 159 N 0.97 1.14 -0.82 1.67 0.00 -0.43 0.89 119.26 122.69 2q4r h ALA 159 Ca 0.07 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2q4r h ALA 159 Cb 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2q4r h ALA 159 CO -0.17 -0.21 0.36 -0.44 0.00 0.00 0.00 179.25 178.79 2q4r h ASP 160 N 0.47 1.10 0.15 0.00 3.32 -0.39 -2.19 116.42 118.87 2q4r h ASP 160 Ca 0.44 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2q4r h ASP 160 Cb 0.69 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2q4r h ASP 160 CO -0.42 0.95 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.91 2q4r h LEU 161 N 1.18 -0.17 -1.37 1.55 3.38 0.26 -0.50 115.31 119.64 2q4r h LEU 161 Ca 0.28 -0.27 0.24 0.00 0.09 0.00 0.00 57.88 58.22 2q4r h LEU 161 Cb 0.17 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 2q4r h LEU 161 CO -0.03 0.20 0.65 -0.09 0.09 0.00 0.00 178.44 179.26 2q4r h ARG 162 N -0.56 0.42 0.04 1.13 2.43 0.75 0.20 114.38 118.79 2q4r h ARG 162 Ca -0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2q4r h ARG 162 Cb 0.43 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2q4r h ARG 162 CO 0.03 0.28 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.54 2q4r h LYS 163 N 0.44 -0.05 -0.88 0.20 3.64 -1.27 -2.64 116.57 116.01 2q4r h LYS 163 Ca 0.56 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 60.13 2q4r h LYS 163 Cb 1.36 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.12 2q4r h LYS 163 CO -0.27 0.63 0.58 1.49 -2.27 0.00 0.00 179.45 179.61 2q4r h GLU 164 N -0.86 0.45 -0.33 1.90 4.57 0.26 -2.32 114.58 118.25 2q4r h GLU 164 Ca -0.00 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 2q4r h GLU 164 Cb 0.70 -0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 29.08 2q4r h GLU 164 CO 0.01 0.30 -0.10 1.19 -1.18 0.00 0.00 179.01 179.22 2q4r n PHE 165 N -4.52 1.03 -1.91 0.92 3.72 0.57 -5.02 117.46 112.25 2q4r n PHE 165 Ca 0.18 -1.59 -0.41 0.00 -0.05 0.00 0.00 57.45 55.58 2q4r n PHE 165 Cb 0.63 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 -3.24 3.58 0.00 4.37 0.00 -0.87 -2.34 121.76 123.25 2q4r s ALA 166 Ca 0.44 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2q4r s ALA 166 Cb 0.40 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2q4r s ALA 166 CO -0.01 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2q4r n GLY 167 N 1.01 1.47 0.06 0.00 0.00 -1.26 -4.89 105.19 101.58 2q4r n GLY 167 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 0.23 -2.72 1.61 4.76 -0.99 -4.96 118.16 114.09 2q4r n LYS 168 Ca 0.00 -0.12 -0.06 0.00 -2.87 0.00 0.00 58.31 55.26 2q4r n LYS 168 Cb 0.00 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.71 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 1.45 0.54 3.20 0.72 0.00 -1.26 -4.99 105.19 104.85 2q4r n GLY 169 Ca 0.08 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.50 4.29 0.00 0.99 1.43 -1.26 -1.91 118.68 119.72 2q4r s LEU 170 Ca 0.14 -1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 51.75 2q4r s LEU 170 Cb -0.06 -1.79 0.19 0.00 0.03 0.00 0.00 46.19 44.56 2q4r s LEU 170 CO 0.17 -0.34 0.64 0.41 0.23 0.00 0.00 176.35 177.46 2q4r n THR 171 N 4.69 0.00 -3.98 5.49 -1.04 -0.06 -4.85 114.28 114.52 2q4r n THR 171 Ca -0.11 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 61.56 2q4r n THR 171 Cb 0.43 -1.05 -0.07 0.00 -1.82 0.00 0.00 70.33 67.83 2q4r n THR 171 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2q4r s PHE 172 N -2.11 0.43 -0.30 -1.42 0.08 -1.26 -3.52 117.98 109.89 2q4r s PHE 172 Ca 0.42 -0.78 -0.16 0.00 0.12 0.00 0.00 56.93 56.53 2q4r s PHE 172 Cb -0.05 -0.02 0.17 0.00 -0.57 0.00 0.00 43.02 42.56 2q4r s PHE 172 CO 0.33 -0.79 1.06 0.45 -0.10 0.00 0.00 175.22 176.16 2q4r s SER 173 N -2.99 -0.45 -0.18 1.36 0.15 -0.77 -4.97 113.70 105.85 2q4r s SER 173 Ca 0.20 0.63 -0.11 0.00 0.70 0.00 0.00 55.95 57.37 2q4r s SER 173 Cb 0.02 1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 65.76 2q4r s SER 173 CO 0.03 -0.09 0.17 -0.63 1.20 0.00 0.00 173.24 173.92 2q4r s ILE 174 N 2.22 5.39 0.30 6.45 1.01 -1.26 0.46 121.20 135.78 2q4r s ILE 174 Ca -0.03 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 2q4r s ILE 174 Cb -0.05 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2q4r s ILE 174 CO -0.17 0.45 0.68 -0.83 0.00 0.00 0.00 174.94 175.07 2q4r s GLY 175 N 0.23 0.17 0.00 6.18 0.00 -1.20 -5.01 107.32 107.68 2q4r s GLY 175 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2q4r s GLY 175 CO -0.00 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.45 2q4r n GLY 176 N -0.46 0.98 0.10 0.20 0.00 -1.26 -4.14 105.19 100.60 2q4r n GLY 176 Ca -0.04 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 2q4r n GLY 176 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2q4r n GLN 177 N 0.00 0.67 -0.73 1.61 6.02 -1.26 -4.79 117.38 118.90 2q4r n GLN 177 Ca 0.00 0.11 0.03 0.00 -0.01 0.00 0.00 57.00 57.13 2q4r n GLN 177 Cb 0.00 -1.60 0.04 0.00 1.02 0.00 0.00 30.24 29.70 2q4r n GLN 177 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2q4r n ILE 178 N -2.93 0.42 -3.49 5.09 -0.00 -1.26 -4.38 119.36 112.80 2q4r n ILE 178 Ca -0.30 -0.82 -0.09 0.00 -0.00 0.00 0.00 62.75 61.53 2q4r n ILE 178 Cb 1.10 0.49 -0.02 0.00 -0.00 0.00 0.00 39.64 41.21 2q4r n ILE 178 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2q4r s SER 179 N -1.70 -0.41 0.47 7.28 1.04 -1.26 -4.59 113.70 114.53 2q4r s SER 179 Ca 0.17 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.63 2q4r s SER 179 Cb 0.17 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 2q4r s SER 179 CO -0.05 -0.68 0.05 2.22 0.98 0.00 0.00 173.24 175.75 2q4r n PHE 180 N -0.23 0.84 -4.21 5.02 1.16 -0.10 -3.27 117.46 116.66 2q4r n PHE 180 Ca -0.11 -2.53 -0.15 0.00 -1.87 0.00 0.00 57.45 52.79 2q4r n PHE 180 Cb 0.62 -0.23 -0.11 0.00 -1.61 0.00 0.00 39.48 38.16 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 1.71 -0.07 5.98 1.01 0.17 -0.53 116.67 121.26 2q4r s ASP 181 Ca 0.07 -0.86 -0.01 0.00 0.71 0.00 0.00 52.55 52.46 2q4r s ASP 181 Cb 0.00 -0.02 0.03 0.00 1.01 0.00 0.00 42.92 43.94 2q4r s ASP 181 CO 0.05 -0.24 0.00 -0.69 0.21 0.00 0.00 175.17 174.50 2q4r s VAL 182 N -2.54 0.38 0.25 -1.27 1.01 -0.70 -1.84 120.40 115.70 2q4r s VAL 182 Ca 0.09 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 2q4r s VAL 182 Cb -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2q4r s VAL 182 CO 0.01 0.26 0.42 0.72 0.00 0.00 0.00 175.10 176.51 2q4r s PHE 183 N 1.92 0.60 0.47 5.22 -0.12 -1.23 -0.90 117.98 123.93 2q4r s PHE 183 Ca 0.04 -0.92 -0.21 0.00 -0.05 0.00 0.00 56.93 55.79 2q4r s PHE 183 Cb -0.12 0.02 -0.09 0.00 -0.63 0.00 0.00 43.02 42.20 2q4r s PHE 183 CO -0.05 -0.95 1.03 -2.14 -0.05 0.00 0.00 175.22 173.05 2q4r s PRO 184 N -3.90 3.91 0.20 1.99 0.02 -1.26 -0.88 135.00 135.07 2q4r s PRO 184 Ca 0.26 1.34 -0.33 0.00 0.02 0.00 0.00 61.00 62.30 2q4r s PRO 184 Cb 0.01 -2.16 -0.13 0.00 0.02 0.00 0.00 34.50 32.24 2q4r s PRO 184 CO 0.11 -0.34 1.65 -0.25 -0.33 0.00 0.00 177.00 177.85 2q4r n ASP 185 N -0.81 3.63 0.00 2.53 9.92 -0.80 -1.39 116.55 129.62 2q4r n ASP 185 Ca 0.08 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 2q4r n ASP 185 Cb 0.52 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2q4r n GLY 186 N 3.60 2.64 3.41 0.44 0.00 -1.26 -4.94 105.19 109.08 2q4r n GLY 186 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 2.58 -3.71 1.61 7.02 -0.48 -3.85 117.44 118.61 2q4r n TRP 187 Ca 0.00 -1.68 -0.07 0.00 -1.02 0.00 0.00 57.50 54.73 2q4r n TRP 187 Cb 0.00 -2.33 -0.01 0.00 -2.42 0.00 0.00 31.31 26.55 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 11.69 -0.80 -0.36 -0.99 5.75 -1.26 -4.87 116.55 125.71 2q4r n ASP 188 Ca 0.47 -1.92 0.31 0.00 -0.01 0.00 0.00 54.79 53.63 2q4r n ASP 188 Cb 0.44 1.45 0.57 0.00 -1.03 0.00 0.00 41.12 42.55 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 0.11 0.00 0.11 1.79 -1.84 0.21 116.57 116.96 2q4r h LYS 189 Ca -0.15 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2q4r h LYS 189 Cb 0.61 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2q4r h LYS 189 CO 0.19 0.08 0.30 0.00 -1.08 0.00 0.00 179.45 178.94 2q4r h ARG 190 N 0.12 0.00 -0.97 3.15 3.08 -1.86 -2.82 114.38 115.08 2q4r h ARG 190 Ca 0.81 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.95 2q4r h ARG 190 Cb 2.17 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 32.14 2q4r h ARG 190 CO -0.63 0.00 0.61 -0.92 -1.07 0.00 0.00 179.97 177.96 2q4r h TYR 191 N 0.00 1.12 0.00 3.04 3.20 -0.68 -2.34 116.97 121.30 2q4r h TYR 191 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2q4r h TYR 191 Cb 0.60 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2q4r h TYR 191 CO 0.00 0.50 0.00 0.00 -1.64 0.00 0.00 178.16 177.02 2q4r h LEU 193 N 0.00 0.02 -0.70 0.00 3.38 -1.66 -3.32 115.31 113.02 2q4r h LEU 193 Ca 0.00 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2q4r h LEU 193 Cb 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2q4r h LEU 193 CO 0.00 1.02 0.43 0.08 0.09 0.00 0.00 178.44 180.06 2q4r h ARG 194 N 0.00 0.79 0.00 1.13 0.11 -1.75 0.59 114.38 115.26 2q4r h ARG 194 Ca -0.15 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.88 2q4r h ARG 194 Cb 1.90 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.80 2q4r h ARG 194 CO 0.11 0.52 0.00 0.72 0.10 0.00 0.00 179.97 181.42 2q4r n HIS 195 N -4.70 0.05 -0.01 4.08 8.25 -1.25 -3.84 115.22 117.80 2q4r n HIS 195 Ca 0.08 0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.55 2q4r n HIS 195 Cb 0.12 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 30.69 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 -1.55 0.08 -0.32 1.59 0.24 -0.14 -4.78 118.33 113.45 2q4r n VAL 196 Ca 0.03 -0.04 0.35 0.00 -2.04 0.00 0.00 64.34 62.65 2q4r n VAL 196 Cb 0.16 -0.66 0.75 0.00 -1.47 0.00 0.00 33.84 32.62 2q4r n VAL 196 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2q4r h GLU 197 N 0.00 0.00 -0.59 7.34 4.11 -0.00 0.16 114.58 125.60 2q4r h GLU 197 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2q4r h GLU 197 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2q4r h GLU 197 CO -0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 2q4r n ASN 198 N -4.17 4.30 -1.33 3.06 3.02 -1.26 -4.35 115.26 114.53 2q4r n ASN 198 Ca 0.26 -2.36 0.07 0.00 -0.03 0.00 0.00 54.58 52.52 2q4r n ASN 198 Cb 1.25 -0.51 0.29 0.00 -0.61 0.00 0.00 39.78 40.20 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 0.99 3.91 -1.97 6.41 10.43 0.57 -4.96 116.55 131.92 2q4r n ASP 199 Ca 0.23 -2.38 -0.07 0.00 2.57 0.00 0.00 54.79 55.15 2q4r n ASP 199 Cb 0.78 -0.52 0.04 0.00 1.84 0.00 0.00 41.12 43.26 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 0.92 0.12 3.57 0.44 0.00 -1.26 -5.06 105.19 103.93 2q4r n GLY 200 Ca 0.20 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.14 3.17 0.38 1.61 2.02 -1.26 -4.79 117.35 115.34 2q4r s TYR 201 Ca 0.00 -0.09 0.08 0.00 -0.37 0.00 0.00 57.07 56.69 2q4r s TYR 201 Cb -0.00 -2.08 0.77 0.00 -0.40 0.00 0.00 41.96 40.24 2q4r s TYR 201 CO 0.29 0.02 1.93 -0.22 -1.57 0.00 0.00 175.55 176.00 2q4r h LYS 202 N 6.98 0.33 -3.56 -0.62 1.63 -1.44 -3.44 116.57 116.45 2q4r h LYS 202 Ca -0.36 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.26 2q4r h LYS 202 Cb 1.17 -0.05 -0.18 0.00 -0.60 0.00 0.00 32.23 32.58 2q4r h LYS 202 CO 0.66 0.40 -0.40 0.99 -3.45 0.00 0.00 179.45 177.65 2q4r s THR 203 N -4.89 0.11 -0.14 1.00 2.01 -1.09 -5.01 115.64 107.63 2q4r s THR 203 Ca -0.06 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 2q4r s THR 203 Cb 0.16 -0.88 0.05 0.00 0.01 0.00 0.00 72.50 71.83 2q4r s THR 203 CO 0.74 -0.49 0.03 -0.63 -0.69 0.00 0.00 174.62 173.58 2q4r s ILE 204 N -2.49 0.36 0.15 1.82 1.01 -1.26 -1.26 121.20 119.53 2q4r s ILE 204 Ca -0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2q4r s ILE 204 Cb -0.01 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 2q4r s ILE 204 CO -0.04 -0.02 0.36 -0.31 0.00 0.00 0.00 174.94 174.93 2q4r s TYR 205 N 1.95 3.48 -0.02 3.97 2.02 -0.12 -4.10 117.35 124.54 2q4r s TYR 205 Ca 0.02 0.44 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 2q4r s TYR 205 Cb -0.15 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2q4r s TYR 205 CO -0.07 0.43 -0.06 0.12 -1.57 0.00 0.00 175.55 174.40 2q4r s PHE 206 N -1.72 0.70 -0.05 2.71 5.36 -1.26 -0.75 117.98 122.98 2q4r s PHE 206 Ca 0.39 -0.16 0.05 0.00 -0.96 0.00 0.00 56.93 56.25 2q4r s PHE 206 Cb -0.12 -0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 42.02 2q4r s PHE 206 CO 0.27 -0.09 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.67 2q4r s PHE 207 N 0.32 2.02 -3.50 10.12 0.08 -0.31 -1.65 117.98 125.05 2q4r s PHE 207 Ca -0.04 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.40 2q4r s PHE 207 Cb -0.08 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 2q4r s PHE 207 CO 0.00 -0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 2q4r n GLY 208 N 3.12 -1.23 3.35 4.36 0.00 -0.99 -1.18 105.19 112.63 2q4r n GLY 208 Ca -0.18 -1.08 -0.46 0.00 0.00 0.00 0.00 46.02 44.30 2q4r n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q4r s ASP 209 N -4.00 6.58 0.53 1.61 1.11 -1.26 0.52 116.67 121.76 2q4r s ASP 209 Ca 0.00 -2.30 0.34 0.00 0.18 0.00 0.00 52.55 50.77 2q4r s ASP 209 Cb 0.00 -2.25 1.16 0.00 1.07 0.00 0.00 42.92 42.90 2q4r s ASP 209 CO 0.00 -0.75 1.28 2.29 1.18 0.00 0.00 175.17 179.17 2q4r n LYS 210 N 4.83 0.01 -3.48 8.23 2.85 -1.26 -4.89 118.16 124.45 2q4r n LYS 210 Ca 0.08 0.95 -0.19 0.00 -1.05 0.00 0.00 58.31 58.10 2q4r n LYS 210 Cb 0.46 -2.29 -0.01 0.00 -0.65 0.00 0.00 35.03 32.54 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 -4.42 3.95 0.00 0.58 2.01 -1.26 -1.50 115.64 114.99 2q4r s THR 211 Ca -0.03 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.93 2q4r s THR 211 Cb 0.18 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.33 2q4r s THR 211 CO 0.60 -0.15 0.00 0.59 -0.69 0.00 0.00 174.62 174.97 2q4r n ASN 216 N -1.62 0.00 -3.75 3.53 4.13 -1.26 -4.90 115.26 111.39 2q4r n ASN 216 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 2q4r n ASN 216 Cb 0.58 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.71 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 -3.02 -0.33 -0.45 6.41 -1.08 -1.26 -5.11 116.67 111.83 2q4r s ASP 217 Ca 0.00 0.62 -0.13 0.00 -0.52 0.00 0.00 52.55 52.52 2q4r s ASP 217 Cb 0.00 0.57 0.07 0.00 -1.46 0.00 0.00 42.92 42.10 2q4r s ASP 217 CO 0.00 -0.13 0.34 -2.28 0.52 0.00 0.00 175.17 173.61 2q4r s HIS 218 N 0.67 3.28 0.39 -5.34 5.65 -0.56 -4.98 115.29 114.40 2q4r s HIS 218 Ca -0.04 -1.13 0.19 0.00 0.25 0.00 0.00 55.06 54.33 2q4r s HIS 218 Cb -0.05 -3.04 1.15 0.00 -1.18 0.00 0.00 32.58 29.45 2q4r s HIS 218 CO -0.04 -0.80 1.71 0.93 -0.65 0.00 0.00 174.74 175.89 2q4r h GLU 219 N 8.61 0.32 -0.00 2.88 3.07 -2.00 0.57 114.58 128.03 2q4r h GLU 219 Ca -0.26 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.44 2q4r h GLU 219 Cb 1.10 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 2q4r h GLU 219 CO 0.82 0.21 -0.65 0.97 -1.40 0.00 0.00 179.01 178.97 2q4r h ILE 220 N 0.33 1.46 0.00 3.13 2.10 -1.93 -2.13 117.51 120.47 2q4r h ILE 220 Ca 0.68 -2.20 -0.01 0.00 1.08 0.00 0.00 64.86 64.40 2q4r h ILE 220 Cb 1.75 2.19 -0.00 0.00 -1.09 0.00 0.00 36.82 39.66 2q4r h ILE 220 CO -0.41 0.63 -0.06 0.15 -1.08 0.00 0.00 178.15 177.38 2q4r h PHE 221 N 0.01 0.00 0.00 2.19 3.57 -1.25 -3.26 116.94 118.20 2q4r h PHE 221 Ca -0.01 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.12 2q4r h PHE 221 Cb 1.14 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 2q4r h PHE 221 CO 0.00 0.06 -2.41 0.25 -2.23 0.00 0.00 178.31 173.98 2q4r n THR 222 N -3.29 1.42 -1.10 4.41 -2.24 -1.04 -4.42 114.28 108.03 2q4r n THR 222 Ca -0.01 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 2q4r n THR 222 Cb 0.25 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 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 -3.04 0.55 0.08 3.42 -0.08 -0.83 -4.67 116.55 111.98 2q4r n ASP 223 Ca -0.40 0.78 0.04 0.00 -1.51 0.00 0.00 54.79 53.70 2q4r n ASP 223 Cb 1.05 -0.59 0.20 0.00 2.34 0.00 0.00 41.12 44.12 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 2.12 0.05 0.09 -0.67 -0.04 -1.26 -1.13 135.00 134.16 2q4r n PRO 224 Ca 0.18 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 2q4r n PRO 224 Cb -0.01 -1.85 0.45 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.72 0.18 0.00 0.54 1.74 -1.26 -5.10 116.66 111.04 2q4r n ARG 225 Ca -0.00 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2q4r n ARG 225 Cb 0.20 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.09 0.00 -3.63 0.55 -2.24 -0.28 -4.17 114.28 102.41 2q4r n THR 226 Ca 0.04 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 2q4r n THR 226 Cb 0.33 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.48 -0.14 3.38 0.00 -1.26 -4.92 107.32 103.90 2q4r s GLY 228 Ca 0.00 2.21 -0.04 0.00 0.00 0.00 0.00 44.72 46.89 2q4r s GLY 228 CO 0.00 1.87 0.08 -0.19 0.00 0.00 0.00 173.10 174.86 2q4r s TYR 229 N 0.55 0.22 -0.07 1.90 2.02 -0.66 -4.96 117.35 116.34 2q4r s TYR 229 Ca -0.01 -0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 2q4r s TYR 229 Cb -0.05 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 2q4r s TYR 229 CO -0.03 -0.44 1.19 0.45 -1.57 0.00 0.00 175.55 175.15 2q4r s SER 230 N 2.13 7.05 0.06 2.29 0.15 -1.25 -2.35 113.70 121.78 2q4r s SER 230 Ca 0.03 1.77 0.03 0.00 0.70 0.00 0.00 55.95 58.48 2q4r s SER 230 Cb -0.15 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2q4r s SER 230 CO -0.07 -0.59 0.02 0.68 1.20 0.00 0.00 173.24 174.47 2q4r s VAL 231 N 2.35 4.17 -0.17 4.45 -7.23 0.19 -4.87 120.40 119.28 2q4r s VAL 231 Ca 0.55 -0.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2q4r s VAL 231 Cb -0.24 -2.96 -0.13 0.00 0.56 0.00 0.00 36.38 33.62 2q4r s VAL 231 CO 0.21 0.20 -0.11 0.35 -0.31 0.00 0.00 175.10 175.43 2q4r n THR 232 N 0.79 1.00 -3.57 5.32 -2.24 -1.26 -4.34 114.28 109.98 2q4r n THR 232 Ca -0.11 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2q4r n THR 232 Cb 0.52 -1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.35 -1.28 0.44 6.98 0.00 -1.26 -4.92 121.76 119.37 2q4r s ALA 233 Ca -0.20 0.47 0.21 0.00 0.00 0.00 0.00 51.96 52.44 2q4r s ALA 233 Cb 0.06 0.50 1.18 0.00 0.00 0.00 0.00 23.12 24.86 2q4r s ALA 233 CO 0.45 -0.56 1.83 -1.35 0.00 0.00 0.00 175.76 176.13 2q4r h PRO 234 N 2.62 0.30 -0.60 0.00 0.11 -1.65 1.16 132.00 133.95 2q4r h PRO 234 Ca -0.32 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 2q4r h PRO 234 Cb 1.23 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2q4r h PRO 234 CO 0.42 0.20 0.03 0.93 -0.21 0.00 0.00 178.00 179.36 2q4r h GLU 235 N 0.31 1.02 -0.20 1.05 3.07 -1.94 -0.80 114.58 117.09 2q4r h GLU 235 Ca 0.50 -0.30 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 2q4r h GLU 235 Cb 1.42 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2q4r h GLU 235 CO -0.17 0.98 -0.39 0.22 -1.40 0.00 0.00 179.01 178.26 2q4r h ASP 236 N 0.94 0.68 -0.88 1.42 3.58 0.64 -1.58 116.42 121.22 2q4r h ASP 236 Ca 0.17 -0.55 0.07 0.00 0.42 0.00 0.00 57.03 57.15 2q4r h ASP 236 Cb 0.51 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 2q4r h ASP 236 CO 0.02 1.10 0.57 0.74 -2.88 0.00 0.00 179.24 178.80 2q4r h THR 237 N 0.29 1.04 0.00 2.25 2.02 0.45 0.48 112.91 119.44 2q4r h THR 237 Ca 0.01 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.70 2q4r h THR 237 Cb 0.98 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2q4r h THR 237 CO 0.09 0.18 -0.73 0.03 0.37 0.00 0.00 175.52 175.45 2q4r h ARG 238 N 0.97 0.00 0.09 6.66 3.08 -1.07 -2.06 114.38 122.05 2q4r h ARG 238 Ca 0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2q4r h ARG 238 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2q4r h ARG 238 CO -0.15 0.73 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.35 2q4r h ARG 239 N 0.00 -0.12 0.00 0.04 2.43 0.09 -1.09 114.38 115.72 2q4r h ARG 239 Ca -0.01 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2q4r h ARG 239 Cb 1.35 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2q4r h ARG 239 CO 0.09 -0.07 -0.47 0.82 -1.51 0.00 0.00 179.97 178.84 2q4r h ILE 240 N -0.14 1.24 -0.25 1.20 2.04 -1.22 -3.08 117.51 117.30 2q4r h ILE 240 Ca -0.01 -1.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 2q4r h ILE 240 Cb 0.11 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2q4r h ILE 240 CO 0.02 0.46 -0.04 0.00 0.00 0.00 0.00 178.15 178.59 2q4r n GLU 242 N -4.58 0.01 -0.11 0.00 1.02 -0.44 -1.21 120.64 115.33 2q4r n GLU 242 Ca -0.04 0.43 -0.24 0.00 -0.02 0.00 0.00 57.16 57.29 2q4r n GLU 242 Cb 0.28 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 2q4r n GLU 242 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2q4r n LEU 243 N -1.55 2.22 0.19 -4.62 7.94 -0.59 -4.48 117.00 116.11 2q4r n LEU 243 Ca 0.01 0.25 0.12 0.00 -1.11 0.00 0.00 56.01 55.29 2q4r n LEU 243 Cb 0.06 -0.92 0.24 0.00 0.53 0.00 0.00 43.42 43.33 2q4r n LEU 243 CO 0.05 0.61 0.83 -0.07 -1.11 0.00 0.00 177.39 177.70 2q4r h LEU 244 N -0.66 0.00 0.00 -1.96 4.07 -0.18 -3.48 115.31 113.10 2q4r h LEU 244 Ca -0.55 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.10 2q4r h LEU 244 Cb 1.65 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.30 2q4r h LEU 244 CO -0.24 0.00 -0.30 0.49 -1.08 0.00 0.00 178.44 177.31 2q4r n PHE 245 N -2.85 -0.48 0.00 1.13 3.72 -0.35 -5.09 117.46 113.55 2q4r n PHE 245 Ca 0.04 -1.81 0.00 0.00 -0.05 0.00 0.00 57.45 55.64 2q4r n PHE 245 Cb 0.50 0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 2q4r n PHE 245 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58