#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 -2.33 3.44 0.55 0.00 -1.26 -3.26 105.19 102.33 2q4r n GLY 5 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 2q4r n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2q4r n PRO 6 N -3.66 0.67 -0.77 1.61 -0.02 -1.26 -4.71 135.00 126.87 2q4r n PRO 6 Ca -0.02 -1.64 -0.33 0.00 -2.02 0.00 0.00 63.50 59.48 2q4r n PRO 6 Cb 0.46 -3.18 0.13 0.00 -0.02 0.00 0.00 33.50 30.89 2q4r n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4r n ALA 7 N 12.37 -3.66 -3.01 3.55 0.00 -1.26 -4.54 120.51 123.95 2q4r n ALA 7 Ca 0.46 -0.96 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 2q4r n ALA 7 Cb 0.44 -1.58 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 2q4r n ALA 7 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2q4r s LEU 8 N -0.08 1.61 -0.25 0.00 2.96 -0.95 -2.99 118.68 118.98 2q4r s LEU 8 Ca 0.54 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.59 2q4r s LEU 8 Cb -0.15 0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.84 2q4r s LEU 8 CO 0.68 -0.04 -0.02 0.00 -1.32 0.00 0.00 176.35 175.65 2q4r s LEU 10 N 1.44 3.37 0.01 0.00 1.43 0.08 -1.16 118.68 123.86 2q4r s LEU 10 Ca 0.03 0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2q4r s LEU 10 Cb -0.16 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2q4r s LEU 10 CO -0.02 0.29 -0.18 -0.36 0.23 0.00 0.00 176.35 176.30 2q4r s PHE 11 N -0.33 1.64 0.34 0.29 0.08 -0.20 -0.23 117.98 119.56 2q4r s PHE 11 Ca 0.06 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.51 2q4r s PHE 11 Cb -0.12 -1.02 -0.09 0.00 -0.57 0.00 0.00 43.02 41.21 2q4r s PHE 11 CO 0.02 0.02 1.06 0.34 -0.10 0.00 0.00 175.22 176.56 2q4r s ASP 12 N -0.75 7.03 0.00 1.36 3.68 -0.24 -0.33 116.67 127.42 2q4r s ASP 12 Ca 0.07 2.13 0.00 0.00 2.13 0.00 0.00 52.55 56.88 2q4r s ASP 12 Cb -0.08 -2.60 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 2q4r s ASP 12 CO 0.00 -0.30 0.22 1.33 0.13 0.00 0.00 175.17 176.55 2q4r n VAL 13 N 0.56 0.00 -2.02 1.11 0.24 0.89 -3.66 118.33 115.45 2q4r n VAL 13 Ca 0.02 0.51 -0.42 0.00 -2.04 0.00 0.00 64.34 62.41 2q4r n VAL 13 Cb 0.47 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.71 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2q4r s ASP 14 N -1.59 6.68 0.00 -1.34 2.15 -1.26 -1.92 116.67 119.39 2q4r s ASP 14 Ca 0.00 2.28 0.00 0.00 0.43 0.00 0.00 52.55 55.26 2q4r s ASP 14 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2q4r s ASP 14 CO 0.00 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 2q4r n GLY 15 N 4.02 2.79 0.14 2.66 0.00 -1.16 -4.82 105.19 108.82 2q4r n GLY 15 Ca 0.16 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 1.42 0.00 2.61 2.02 -1.64 -3.37 112.91 113.95 2q4r h THR 16 Ca 0.00 -2.06 -0.35 0.00 0.77 0.00 0.00 66.41 64.77 2q4r h THR 16 Cb 0.00 2.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.92 2q4r h THR 16 CO 0.00 0.60 -2.08 0.18 0.37 0.00 0.00 175.52 174.59 2q4r n LEU 17 N -4.22 1.94 -4.90 2.58 4.77 -0.81 -3.77 117.00 112.59 2q4r n LEU 17 Ca -0.10 0.36 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 2q4r n LEU 17 Cb 0.67 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2q4r n LEU 17 CO 0.47 0.37 0.39 0.42 -1.33 0.00 0.00 177.39 177.70 2q4r s THR 18 N -2.55 4.91 0.44 -5.08 -4.23 -1.16 -4.61 115.64 103.37 2q4r s THR 18 Ca -0.35 0.21 -0.22 0.00 -1.18 0.00 0.00 61.69 60.15 2q4r s THR 18 Cb 0.12 -3.82 -0.09 0.00 1.34 0.00 0.00 72.50 70.05 2q4r s THR 18 CO 0.48 -0.68 1.03 0.00 -0.54 0.00 0.00 174.62 174.92 2q4r s ALA 19 N -2.54 2.98 -0.84 3.99 0.00 -1.24 -2.96 121.76 121.16 2q4r s ALA 19 Ca 0.47 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 2q4r s ALA 19 Cb -0.10 -3.25 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 2q4r s ALA 19 CO 0.39 -0.22 2.21 -2.30 0.00 0.00 0.00 175.76 175.84 2q4r n PRO 20 N -0.55 0.32 -0.20 0.00 -0.02 -1.26 -0.28 135.00 133.01 2q4r n PRO 20 Ca 0.07 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 2q4r n PRO 20 Cb 0.51 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 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 7.80 0.00 -4.37 -0.52 0.63 -1.26 -5.11 116.66 113.83 2q4r n ARG 21 Ca 0.46 0.09 -0.19 0.00 -0.92 0.00 0.00 57.85 57.29 2q4r n ARG 21 Cb 0.39 -0.74 -0.10 0.00 0.45 0.00 0.00 32.46 32.46 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 -0.48 1.42 0.37 -0.14 -0.21 0.61 -5.15 119.66 116.08 2q4r s GLN 22 Ca 0.00 -1.72 -0.09 0.00 0.02 0.00 0.00 55.36 53.57 2q4r s GLN 22 Cb 0.00 -0.82 -0.06 0.00 1.00 0.00 0.00 33.01 33.12 2q4r s GLN 22 CO 0.00 -0.05 0.70 0.21 -2.12 0.00 0.00 175.29 174.04 2q4r s LYS 23 N -3.81 3.74 0.58 2.91 2.20 -1.26 -3.61 119.74 120.50 2q4r s LYS 23 Ca 0.29 0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 56.04 2q4r s LYS 23 Cb 0.05 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.87 2q4r s LYS 23 CO 0.10 0.05 1.32 -1.50 -0.36 0.00 0.00 175.35 174.95 2q4r s ILE 24 N -2.27 2.12 0.56 5.43 2.07 -0.38 -4.65 121.20 124.08 2q4r s ILE 24 Ca 0.49 0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.76 2q4r s ILE 24 Cb -0.10 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.45 2q4r s ILE 24 CO 0.30 -0.01 0.87 0.42 -1.91 0.00 0.00 174.94 174.61 2q4r s THR 25 N -1.36 3.87 0.30 4.00 -4.23 -1.26 -4.89 115.64 112.07 2q4r s THR 25 Ca 0.76 -0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 2q4r s THR 25 Cb -0.38 -3.52 0.09 0.00 1.34 0.00 0.00 72.50 70.03 2q4r s THR 25 CO 0.43 -0.52 1.76 0.50 -0.54 0.00 0.00 174.62 176.26 2q4r h LYS 26 N -0.07 0.50 0.00 3.99 3.11 -2.03 0.25 116.57 122.31 2q4r h LYS 26 Ca -0.46 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.22 2q4r h LYS 26 Cb 1.25 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2q4r h LYS 26 CO 0.60 0.66 0.00 -1.91 -2.81 0.00 0.00 179.45 175.99 2q4r n GLU 27 N -4.17 0.00 0.00 1.90 2.13 -1.26 0.46 120.64 119.71 2q4r n GLU 27 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2q4r n GLU 27 Cb 0.36 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.85 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 -0.61 0.00 0.40 4.31 2.03 0.89 -1.66 116.55 121.91 2q4r n ASP 29 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 2q4r n ASP 29 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 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 -0.93 -0.79 1.67 5.19 -0.19 -0.79 116.42 120.58 2q4r h ASP 30 Ca 0.00 0.04 0.19 0.00 -0.62 0.00 0.00 57.03 56.64 2q4r h ASP 30 Cb 0.00 0.25 -0.13 0.00 0.18 0.00 0.00 39.33 39.63 2q4r h ASP 30 CO 0.00 -0.63 0.10 0.15 -3.12 0.00 0.00 179.24 175.74 2q4r h PHE 31 N -1.03 0.12 0.06 4.55 3.57 -1.52 -0.30 116.94 122.40 2q4r h PHE 31 Ca -0.10 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2q4r h PHE 31 Cb 0.80 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2q4r h PHE 31 CO -0.05 -0.20 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.73 2q4r h LEU 32 N 0.16 -0.06 -2.03 0.59 3.38 -1.78 -0.99 115.31 114.59 2q4r h LEU 32 Ca 0.45 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.27 2q4r h LEU 32 Cb 0.83 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2q4r h LEU 32 CO -0.63 0.16 0.11 1.56 0.09 0.00 0.00 178.44 179.73 2q4r h GLN 33 N -0.29 0.00 -0.14 1.13 1.08 -0.22 0.38 115.11 117.05 2q4r h GLN 33 Ca -0.01 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 2q4r h GLN 33 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2q4r h GLN 33 CO 0.01 0.00 -0.58 -0.22 -0.95 0.00 0.00 178.83 177.10 2q4r h LYS 34 N 0.00 0.45 -0.19 1.46 3.64 -0.74 -3.15 116.57 118.04 2q4r h LYS 34 Ca 0.07 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 59.01 2q4r h LYS 34 Cb 0.29 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2q4r h LYS 34 CO -0.00 0.90 -0.45 1.25 -2.27 0.00 0.00 179.45 178.88 2q4r h LEU 35 N 0.34 0.73 -1.34 5.20 5.85 0.92 -3.07 115.31 123.93 2q4r h LEU 35 Ca 0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2q4r h LEU 35 Cb 1.11 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2q4r h LEU 35 CO 0.10 1.16 0.29 -0.09 -0.34 0.00 0.00 178.44 179.56 2q4r h ARG 36 N 0.32 0.00 0.23 1.25 2.43 -0.45 -2.08 114.38 116.09 2q4r h ARG 36 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2q4r h ARG 36 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2q4r h ARG 36 CO 0.10 0.00 -0.11 1.96 -1.51 0.00 0.00 179.97 180.41 2q4r h GLN 37 N 0.00 -0.30 0.00 0.20 1.08 -1.58 -3.35 115.11 111.17 2q4r h GLN 37 Ca 0.00 0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 2q4r h GLN 37 Cb 0.58 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 2q4r h GLN 37 CO 0.00 -0.08 -1.94 0.36 -0.95 0.00 0.00 178.83 176.22 2q4r n LYS 38 N -5.15 0.66 -4.75 1.46 0.00 -0.92 -4.93 118.16 104.52 2q4r n LYS 38 Ca -0.09 -0.01 -0.24 0.00 -0.00 0.00 0.00 58.31 57.97 2q4r n LYS 38 Cb 0.20 -1.61 -0.15 0.00 -0.00 0.00 0.00 35.03 33.47 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 -2.99 1.26 0.54 0.58 2.07 -0.83 -4.90 121.20 116.93 2q4r s ILE 39 Ca -0.07 -0.68 -0.19 0.00 -1.41 0.00 0.00 60.65 58.30 2q4r s ILE 39 Cb 0.10 -1.05 -0.06 0.00 0.13 0.00 0.00 42.46 41.58 2q4r s ILE 39 CO 0.85 0.36 1.10 -0.54 -1.91 0.00 0.00 174.94 174.80 2q4r s LYS 40 N -0.35 3.42 0.09 3.50 -0.14 -1.16 -3.62 119.74 121.48 2q4r s LYS 40 Ca 0.06 1.50 0.03 0.00 -1.36 0.00 0.00 55.97 56.20 2q4r s LYS 40 Cb -0.06 -2.03 -0.03 0.00 -1.68 0.00 0.00 37.83 34.03 2q4r s LYS 40 CO -0.00 -0.77 -0.10 0.96 -0.76 0.00 0.00 175.35 174.68 2q4r s ILE 41 N -1.92 0.86 0.18 2.17 -4.36 -1.26 -1.15 121.20 115.72 2q4r s ILE 41 Ca 0.70 -1.58 -0.16 0.00 -0.26 0.00 0.00 60.65 59.36 2q4r s ILE 41 Cb -0.21 -1.28 0.02 0.00 1.25 0.00 0.00 42.46 42.24 2q4r s ILE 41 CO 0.27 -0.56 0.46 -0.83 0.24 0.00 0.00 174.94 174.52 2q4r s GLY 42 N -2.36 -0.01 0.03 6.27 0.00 -0.31 -1.45 107.32 109.50 2q4r s GLY 42 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.46 2q4r s GLY 42 CO -0.00 -0.38 -0.10 -1.34 0.00 0.00 0.00 173.10 171.28 2q4r s VAL 43 N -3.88 0.74 0.03 1.40 -7.23 -0.18 -1.04 120.40 110.24 2q4r s VAL 43 Ca 0.10 -0.89 -0.00 0.00 -1.81 0.00 0.00 61.98 59.38 2q4r s VAL 43 Cb 0.00 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 2q4r s VAL 43 CO -0.04 -0.14 -0.03 0.54 -0.31 0.00 0.00 175.10 175.13 2q4r s VAL 44 N -0.93 0.14 -0.09 1.32 0.11 0.55 0.45 120.40 121.95 2q4r s VAL 44 Ca -0.03 -1.06 -0.32 0.00 -2.93 0.00 0.00 61.98 57.63 2q4r s VAL 44 Cb -0.08 -0.48 0.12 0.00 -1.53 0.00 0.00 36.38 34.42 2q4r s VAL 44 CO 0.01 -0.58 1.09 -0.83 -3.33 0.00 0.00 175.10 171.45 2q4r s GLY 45 N -1.71 -0.36 0.40 6.54 0.00 -0.93 -0.07 107.32 111.19 2q4r s GLY 45 Ca -0.12 1.25 0.26 0.00 0.00 0.00 0.00 44.72 46.11 2q4r s GLY 45 CO -0.02 0.41 1.73 -1.33 0.00 0.00 0.00 173.10 173.88 2q4r h GLY 46 N 2.00 0.00 -0.85 0.20 0.00 -1.93 0.14 103.07 102.63 2q4r h GLY 46 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.74 2q4r h GLY 46 CO 0.26 0.00 0.26 -0.56 0.00 0.00 0.00 176.54 176.51 2q4r s SER 47 N -5.59 2.13 0.58 0.19 0.01 -1.26 -3.79 113.70 105.96 2q4r s SER 47 Ca 0.06 0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.90 2q4r s SER 47 Cb 0.08 -0.79 0.05 0.00 0.21 0.00 0.00 66.02 65.56 2q4r s SER 47 CO 0.61 -3.37 0.80 1.51 0.41 0.00 0.00 173.24 173.20 2q4r s ASP 48 N -4.26 5.13 0.17 2.44 1.47 -1.26 -0.52 116.67 119.84 2q4r s ASP 48 Ca 0.71 -0.11 -0.18 0.00 1.18 0.00 0.00 52.55 54.15 2q4r s ASP 48 Cb -0.09 -0.69 0.11 0.00 -0.34 0.00 0.00 42.92 41.92 2q4r s ASP 48 CO 0.55 -1.26 1.64 0.15 0.68 0.00 0.00 175.17 176.93 2q4r h PHE 49 N -0.01 -0.42 -0.13 2.11 3.57 -1.98 0.20 116.94 120.28 2q4r h PHE 49 Ca -0.41 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.16 2q4r h PHE 49 Cb 1.29 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.26 2q4r h PHE 49 CO 0.28 -0.26 -0.02 1.49 -2.23 0.00 0.00 178.31 177.58 2q4r h GLU 50 N -0.09 0.01 -0.16 1.11 4.81 -1.97 0.97 114.58 119.27 2q4r h GLU 50 Ca 0.21 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2q4r h GLU 50 Cb 0.40 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2q4r h GLU 50 CO -0.48 0.01 -0.04 -0.22 -0.73 0.00 0.00 179.01 177.55 2q4r h LYS 51 N 0.01 0.01 -0.78 1.92 1.63 -1.81 0.81 116.57 118.36 2q4r h LYS 51 Ca 0.06 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 2q4r h LYS 51 Cb 0.09 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 2q4r h LYS 51 CO -0.12 0.00 0.51 0.28 -3.45 0.00 0.00 179.45 176.67 2q4r h VAL 52 N 0.01 1.16 -0.53 2.00 2.07 -0.44 0.74 116.25 121.25 2q4r h VAL 52 Ca 0.08 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2q4r h VAL 52 Cb 0.12 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 2q4r h VAL 52 CO -0.16 0.19 0.29 1.56 0.02 0.00 0.00 177.57 179.46 2q4r h GLN 53 N 1.02 0.55 -0.44 1.57 4.20 0.25 0.93 115.11 123.18 2q4r h GLN 53 Ca 0.30 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 2q4r h GLN 53 Cb -0.05 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2q4r h GLN 53 CO -0.09 0.36 0.17 0.93 -0.67 0.00 0.00 178.83 179.54 2q4r h GLU 54 N 0.57 0.62 0.13 1.46 5.08 0.19 0.78 114.58 123.40 2q4r h GLU 54 Ca 0.23 -0.08 -0.24 0.00 -1.00 0.00 0.00 59.36 58.26 2q4r h GLU 54 Cb 0.10 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2q4r h GLU 54 CO -0.14 0.52 -1.16 1.96 -1.00 0.00 0.00 179.01 179.19 2q4r h GLN 55 N 0.62 0.27 0.00 2.33 4.20 0.12 -3.43 115.11 119.21 2q4r h GLN 55 Ca 0.15 -0.46 -0.28 0.00 0.06 0.00 0.00 58.65 58.12 2q4r h GLN 55 Cb 0.13 0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2q4r h GLN 55 CO -0.01 1.22 -2.08 1.28 -0.67 0.00 0.00 178.83 178.56 2q4r n LEU 56 N -4.01 2.70 0.00 1.46 4.77 0.31 -1.25 117.00 120.98 2q4r n LEU 56 Ca -0.20 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2q4r n LEU 56 Cb 0.87 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2q4r n LEU 56 CO 0.44 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 2q4r n GLY 57 N 2.54 3.42 0.18 -0.72 0.00 0.27 -4.88 105.19 106.00 2q4r n GLY 57 Ca -0.33 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.81 1.61 2.35 -1.91 -3.09 115.58 113.73 2q4r h ASN 58 Ca 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.35 2q4r h ASN 58 Cb 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 38.13 2q4r h ASN 58 CO 0.00 0.38 0.44 -0.90 -1.65 0.00 0.00 177.43 175.70 2q4r n ASP 59 N -3.35 3.57 -0.42 5.81 5.75 -1.26 -4.76 116.55 121.88 2q4r n ASP 59 Ca 0.01 -3.60 0.36 0.00 -0.01 0.00 0.00 54.79 51.55 2q4r n ASP 59 Cb 0.58 -0.78 0.64 0.00 -1.03 0.00 0.00 41.12 40.53 2q4r n ASP 59 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2q4r h VAL 60 N 1.19 0.06 0.00 2.12 3.04 -1.89 0.77 116.25 121.53 2q4r h VAL 60 Ca 0.50 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 66.17 2q4r h VAL 60 Cb 2.52 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2q4r h VAL 60 CO 0.89 0.01 0.00 1.33 -1.01 0.00 0.00 177.57 178.79 2q4r n VAL 61 N -4.86 1.13 -0.05 1.51 0.24 -1.26 -1.87 118.33 113.17 2q4r n VAL 61 Ca 0.38 0.44 -0.04 0.00 -2.04 0.00 0.00 64.34 63.09 2q4r n VAL 61 Cb 1.43 -1.38 -0.14 0.00 -1.47 0.00 0.00 33.84 32.28 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 -1.99 0.66 0.09 7.34 1.02 0.27 -3.61 120.64 124.42 2q4r n GLU 62 Ca 0.01 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.17 2q4r n GLU 62 Cb 0.12 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 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 -6.26 3.49 1.79 -1.33 -3.46 116.57 110.80 2q4r h LYS 63 Ca -0.34 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.53 2q4r h LYS 63 Cb 1.86 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 32.27 2q4r h LYS 63 CO 0.03 0.63 -0.84 0.71 -1.08 0.00 0.00 179.45 178.90 2q4r s TYR 64 N -2.86 1.90 0.30 -1.35 2.02 -0.90 -4.94 117.35 111.53 2q4r s TYR 64 Ca 0.02 -0.39 0.14 0.00 -0.37 0.00 0.00 57.07 56.46 2q4r s TYR 64 Cb 0.08 -1.09 0.62 0.00 -0.40 0.00 0.00 41.96 41.17 2q4r s TYR 64 CO 0.78 0.16 1.74 -0.44 -1.57 0.00 0.00 175.55 176.23 2q4r h ASP 65 N 4.47 0.00 -3.80 2.29 3.32 -1.53 -3.42 116.42 117.75 2q4r h ASP 65 Ca -0.45 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.32 2q4r h ASP 65 Cb 1.17 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 2q4r h ASP 65 CO 0.42 0.45 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.34 2q4r s TYR 66 N -3.87 0.23 -0.07 4.55 2.02 -1.15 0.14 117.35 119.20 2q4r s TYR 66 Ca -0.02 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.63 2q4r s TYR 66 Cb 0.13 -0.16 0.03 0.00 -0.40 0.00 0.00 41.96 41.56 2q4r s TYR 66 CO 0.72 -0.01 -0.00 0.08 -1.57 0.00 0.00 175.55 174.77 2q4r s VAL 67 N -0.01 0.38 -0.55 0.71 1.01 -1.08 -1.01 120.40 119.86 2q4r s VAL 67 Ca 0.01 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.13 2q4r s VAL 67 Cb -0.02 -0.53 0.15 0.00 0.00 0.00 0.00 36.38 35.98 2q4r s VAL 67 CO -0.00 0.26 0.33 -0.36 0.00 0.00 0.00 175.10 175.32 2q4r s PHE 68 N 1.88 2.83 0.65 5.22 0.08 0.17 -1.79 117.98 127.03 2q4r s PHE 68 Ca 0.04 -2.97 -0.13 0.00 0.12 0.00 0.00 56.93 53.99 2q4r s PHE 68 Cb -0.12 -2.41 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 2q4r s PHE 68 CO -0.05 -0.70 1.06 -2.14 -0.10 0.00 0.00 175.22 173.29 2q4r s PRO 69 N -0.45 3.10 -1.28 0.24 0.02 -1.07 -2.18 135.00 133.37 2q4r s PRO 69 Ca 0.21 1.07 -0.10 0.00 0.02 0.00 0.00 61.00 62.20 2q4r s PRO 69 Cb -0.17 -2.01 -0.00 0.00 0.02 0.00 0.00 34.50 32.34 2q4r s PRO 69 CO -0.06 -0.98 0.59 0.39 -0.33 0.00 0.00 177.00 176.61 2q4r n GLU 70 N -2.63 -2.41 -0.74 5.54 1.02 0.32 -0.95 120.64 120.79 2q4r n GLU 70 Ca 0.08 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2q4r n GLU 70 Cb 0.53 -4.30 0.00 0.00 -0.02 0.00 0.00 31.44 27.65 2q4r n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4r n ASN 71 N -2.83 -4.39 0.00 1.62 3.02 0.42 -1.35 115.26 111.76 2q4r n ASN 71 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2q4r n ASN 71 Cb 0.64 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 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 0.69 0.75 0.32 7.41 0.00 -0.13 -1.98 105.19 112.26 2q4r n GLY 72 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 -8.40 0.99 3.38 -1.24 -3.34 115.31 106.70 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 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 2q4r h LEU 73 CO 0.00 0.00 -0.85 -0.69 0.09 0.00 0.00 178.44 176.99 2q4r s VAL 74 N -4.34 2.30 0.05 1.22 1.01 -1.17 -0.88 120.40 118.60 2q4r s VAL 74 Ca -0.05 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2q4r s VAL 74 Cb 0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2q4r s VAL 74 CO 0.46 0.55 0.09 0.00 0.00 0.00 0.00 175.10 176.20 2q4r s ALA 75 N 0.37 0.04 -0.01 5.51 0.00 -0.41 -2.60 121.76 124.66 2q4r s ALA 75 Ca -0.16 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2q4r s ALA 75 Cb -0.17 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2q4r s ALA 75 CO 0.08 -0.38 -0.03 0.71 0.00 0.00 0.00 175.76 176.13 2q4r s TYR 76 N -3.29 0.32 -0.15 0.00 2.02 -0.74 0.75 117.35 116.26 2q4r s TYR 76 Ca 0.01 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 2q4r s TYR 76 Cb 0.03 -0.25 0.02 0.00 -0.40 0.00 0.00 41.96 41.36 2q4r s TYR 76 CO -0.08 -0.03 -0.17 0.21 -1.57 0.00 0.00 175.55 173.91 2q4r s LYS 77 N 0.11 2.59 0.00 -0.62 2.20 0.11 -2.63 119.74 121.50 2q4r s LYS 77 Ca -0.01 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2q4r s LYS 77 Cb -0.04 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2q4r s LYS 77 CO -0.00 -0.15 0.00 -0.25 -0.36 0.00 0.00 175.35 174.59 2q4r n ASP 78 N 4.48 0.00 0.00 1.43 10.43 0.36 -1.76 116.55 131.50 2q4r n ASP 78 Ca -0.19 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.17 2q4r n ASP 78 Cb 0.51 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.47 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 0.00 0.00 3.63 0.44 0.00 -1.24 -4.62 105.19 103.41 2q4r n GLY 79 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 2.27 0.09 1.61 2.20 -0.72 -4.84 119.74 120.35 2q4r s LYS 80 Ca 0.00 -1.32 -0.35 0.00 -0.36 0.00 0.00 55.97 53.95 2q4r s LYS 80 Cb 0.00 -2.21 -0.14 0.00 -1.51 0.00 0.00 37.83 33.98 2q4r s LYS 80 CO 0.00 0.40 1.61 1.28 -0.36 0.00 0.00 175.35 178.28 2q4r n LEU 81 N -0.54 2.93 -0.01 5.43 4.77 -1.26 0.06 117.00 128.38 2q4r n LEU 81 Ca -0.08 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 2q4r n LEU 81 Cb 0.57 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 2q4r n LEU 81 CO 0.39 -0.36 -0.57 -0.11 -1.33 0.00 0.00 177.39 175.41 2q4r n LEU 82 N 3.98 0.00 -3.74 2.23 7.94 0.23 -4.72 117.00 122.92 2q4r n LEU 82 Ca 0.19 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.96 2q4r n LEU 82 Cb 0.27 0.04 -0.10 0.00 0.53 0.00 0.00 43.42 44.16 2q4r n LEU 82 CO 0.66 0.04 0.05 0.00 -1.11 0.00 0.00 177.39 177.02 2q4r s ARG 84 N 0.15 0.40 0.03 0.00 3.00 -1.18 -1.29 118.95 120.05 2q4r s ARG 84 Ca -0.00 -0.31 0.01 0.00 -1.00 0.00 0.00 55.73 54.43 2q4r s ARG 84 Cb -0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 34.95 34.23 2q4r s ARG 84 CO 0.01 -1.07 -0.05 -1.14 0.00 0.00 0.00 175.30 173.04 2q4r s GLN 85 N 2.14 0.41 0.21 5.12 2.00 -0.06 -5.03 119.66 124.46 2q4r s GLN 85 Ca 0.11 -0.60 0.00 0.00 -2.00 0.00 0.00 55.36 52.88 2q4r s GLN 85 Cb -0.14 -0.15 -0.05 0.00 0.80 0.00 0.00 33.01 33.48 2q4r s GLN 85 CO -0.26 0.02 0.09 0.54 -0.50 0.00 0.00 175.29 175.18 2q4r s ASN 86 N -1.29 0.76 0.35 6.67 2.20 -1.26 -4.71 114.94 117.67 2q4r s ASN 86 Ca -0.10 -1.34 0.08 0.00 -0.94 0.00 0.00 52.86 50.55 2q4r s ASN 86 Cb -0.09 0.24 0.65 0.00 -2.00 0.00 0.00 41.25 40.06 2q4r s ASN 86 CO -0.00 -0.74 1.84 -0.29 -2.94 0.00 0.00 177.10 174.97 2q4r h ILE 87 N 2.55 1.22 -0.08 0.54 2.10 0.18 -3.07 117.51 120.95 2q4r h ILE 87 Ca -0.37 -1.00 -0.10 0.00 1.08 0.00 0.00 64.86 64.47 2q4r h ILE 87 Cb 1.24 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 38.26 2q4r h ILE 87 CO 0.58 0.31 -0.43 0.06 -1.08 0.00 0.00 178.15 177.60 2q4r h GLN 88 N 0.27 0.17 0.00 2.19 3.07 -1.91 -1.58 115.11 117.33 2q4r h GLN 88 Ca 0.05 -0.08 -0.16 0.00 0.09 0.00 0.00 58.65 58.55 2q4r h GLN 88 Cb 0.50 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 2q4r h GLN 88 CO 0.03 0.57 -0.74 0.77 0.09 0.00 0.00 178.83 179.56 2q4r h SER 89 N 0.14 0.00 0.07 0.06 0.02 -1.89 -0.64 113.55 111.31 2q4r h SER 89 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2q4r h SER 89 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2q4r h SER 89 CO 0.06 0.74 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.72 2q4r h HIS 90 N 0.00 -0.08 0.00 3.45 -0.00 -1.45 -3.36 115.15 113.71 2q4r h HIS 90 Ca -0.01 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 2q4r h HIS 90 Cb 1.41 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.83 2q4r h HIS 90 CO 0.00 0.38 -0.37 -0.07 -0.00 0.00 0.00 177.93 177.87 2q4r h LEU 91 N -0.96 0.00 0.00 0.26 3.38 -1.42 -3.50 115.31 113.07 2q4r h LEU 91 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2q4r h LEU 91 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2q4r h LEU 91 CO 0.02 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2q4r n GLY 92 N 1.17 -0.28 0.37 0.83 0.00 -0.25 -4.37 105.19 102.66 2q4r n GLY 92 Ca 0.02 -1.51 0.01 0.00 0.00 0.00 0.00 46.02 44.54 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 1.13 0.04 1.61 4.39 -1.95 -2.76 114.58 117.05 2q4r h GLU 93 Ca 0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2q4r h GLU 93 Cb 0.00 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2q4r h GLU 93 CO 0.00 0.75 -0.02 0.00 -1.16 0.00 0.00 179.01 178.58 2q4r h ALA 94 N 1.46 -0.05 -0.54 3.43 0.00 -1.94 -2.32 119.26 119.29 2q4r h ALA 94 Ca 0.38 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2q4r h ALA 94 Cb 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2q4r h ALA 94 CO -0.12 -0.49 0.36 1.25 0.00 0.00 0.00 179.25 180.24 2q4r h LEU 95 N -0.13 0.61 0.34 0.00 5.85 -1.74 -1.55 115.31 118.70 2q4r h LEU 95 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2q4r h LEU 95 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2q4r h LEU 95 CO 0.01 0.44 -0.33 0.40 -0.34 0.00 0.00 178.44 178.62 2q4r h ILE 96 N 0.72 0.00 -0.11 4.05 1.08 -1.16 -0.10 117.51 121.99 2q4r h ILE 96 Ca 0.20 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.68 2q4r h ILE 96 Cb -0.07 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.68 2q4r h ILE 96 CO -0.04 0.00 0.08 -0.61 -0.69 0.00 0.00 178.15 176.88 2q4r h GLN 97 N -0.66 0.12 -0.26 2.37 4.15 -1.27 0.23 115.11 119.79 2q4r h GLN 97 Ca -0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2q4r h GLN 97 Cb 0.57 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 2q4r h GLN 97 CO -0.03 0.08 0.06 -0.44 -1.93 0.00 0.00 178.83 176.56 2q4r h ASP 98 N 0.13 0.40 -0.48 -0.69 3.45 -0.90 0.53 116.42 118.86 2q4r h ASP 98 Ca 0.04 -0.24 -0.13 0.00 0.43 0.00 0.00 57.03 57.13 2q4r h ASP 98 Cb 0.02 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 2q4r h ASP 98 CO -0.01 0.54 -0.22 -0.07 -1.57 0.00 0.00 179.24 177.91 2q4r h LEU 99 N 0.25 1.03 0.15 1.55 3.38 -0.09 -2.48 115.31 119.10 2q4r h LEU 99 Ca 0.08 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2q4r h LEU 99 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2q4r h LEU 99 CO 0.00 1.20 -0.07 0.40 0.09 0.00 0.00 178.44 180.06 2q4r h ILE 100 N 0.86 0.97 -0.61 1.22 2.04 -0.41 -2.26 117.51 119.31 2q4r h ILE 100 Ca 0.11 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.45 2q4r h ILE 100 Cb 0.80 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 2q4r h ILE 100 CO 0.07 0.14 0.23 0.78 0.00 0.00 0.00 178.15 179.37 2q4r h ASN 101 N -0.50 0.23 0.45 1.72 2.35 0.06 0.03 115.58 119.92 2q4r h ASN 101 Ca -0.02 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2q4r h ASN 101 Cb 0.39 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2q4r h ASN 101 CO 0.03 0.13 -0.25 0.22 -1.65 0.00 0.00 177.43 175.92 2q4r h TYR 102 N 0.41 -0.65 -0.83 1.19 3.20 -1.42 -0.55 116.97 118.32 2q4r h TYR 102 Ca 0.31 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.25 2q4r h TYR 102 Cb 0.39 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 2q4r h TYR 102 CO -0.17 -0.39 0.49 0.00 -1.64 0.00 0.00 178.16 176.45 2q4r h LEU 104 N 0.84 -0.60 -1.24 0.00 3.38 -0.70 -0.42 115.31 116.57 2q4r h LEU 104 Ca 0.39 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 2q4r h LEU 104 Cb 0.31 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2q4r h LEU 104 CO -0.22 -0.38 -0.01 0.28 0.09 0.00 0.00 178.44 178.20 2q4r h SER 105 N -0.59 0.47 -0.20 -0.43 0.02 -0.72 -2.00 113.55 110.09 2q4r h SER 105 Ca -0.04 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2q4r h SER 105 Cb 0.49 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2q4r h SER 105 CO 0.03 0.55 -0.02 0.22 -1.14 0.00 0.00 176.83 176.46 2q4r h TYR 106 N 0.48 0.42 -0.85 3.45 -0.00 -0.34 -2.89 116.97 117.24 2q4r h TYR 106 Ca 0.10 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.73 58.72 2q4r h TYR 106 Cb 0.33 -0.11 -0.04 0.00 -0.00 0.00 0.00 36.73 36.92 2q4r h TYR 106 CO 0.01 0.60 0.42 0.82 -0.00 0.00 0.00 178.16 180.01 2q4r h ILE 107 N 0.12 1.26 -0.63 1.81 2.04 -0.84 -2.30 117.51 118.97 2q4r h ILE 107 Ca 0.05 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2q4r h ILE 107 Cb 0.45 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2q4r h ILE 107 CO 0.02 0.31 0.35 0.00 0.00 0.00 0.00 178.15 178.83 2q4r h ALA 108 N 1.23 1.45 0.07 1.87 0.00 -1.31 -2.97 119.26 119.60 2q4r h ALA 108 Ca 0.29 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2q4r h ALA 108 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2q4r h ALA 108 CO -0.04 0.47 -1.11 0.87 0.00 0.00 0.00 179.25 179.43 2q4r h LYS 109 N 0.87 0.17 -6.57 0.00 1.57 -1.27 -3.46 116.57 107.87 2q4r h LYS 109 Ca 0.22 -0.28 -0.59 0.00 -1.87 0.00 0.00 60.65 58.13 2q4r h LYS 109 Cb 0.00 0.10 0.10 0.00 0.08 0.00 0.00 32.23 32.52 2q4r h LYS 109 CO -0.04 1.11 0.33 -0.89 -0.57 0.00 0.00 179.45 179.39 2q4r n ILE 110 N -3.49 1.79 -3.21 1.86 5.41 -0.89 -4.92 119.36 115.90 2q4r n ILE 110 Ca -0.05 -0.45 -0.43 0.00 1.00 0.00 0.00 62.75 62.82 2q4r n ILE 110 Cb 0.97 -1.24 -0.08 0.00 -0.71 0.00 0.00 39.64 38.59 2q4r n ILE 110 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2q4r s LYS 111 N -1.43 3.18 0.15 0.38 2.36 -1.26 -5.03 119.74 118.09 2q4r s LYS 111 Ca 0.60 -0.59 0.06 0.00 -2.55 0.00 0.00 55.97 53.48 2q4r s LYS 111 Cb -0.66 -3.97 -0.04 0.00 -1.05 0.00 0.00 37.83 32.10 2q4r s LYS 111 CO 0.59 -0.96 -0.13 -0.51 1.55 0.00 0.00 175.35 175.89 2q4r s LEU 112 N 2.50 2.49 0.39 5.43 1.43 -1.26 -5.05 118.68 124.62 2q4r s LEU 112 Ca 0.17 -0.94 0.16 0.00 -1.03 0.00 0.00 54.13 52.49 2q4r s LEU 112 Cb -0.16 -0.50 0.80 0.00 0.03 0.00 0.00 46.19 46.37 2q4r s LEU 112 CO 0.16 -0.23 1.83 1.55 0.23 0.00 0.00 176.35 179.90 2q4r h PRO 113 N 2.99 0.00 -3.34 1.29 0.13 -1.98 -3.45 132.00 127.63 2q4r h PRO 113 Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2q4r h PRO 113 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2q4r h PRO 113 CO 0.59 0.35 -0.08 0.15 -0.23 0.00 0.00 178.00 178.77 2q4r s LYS 114 N -4.04 1.04 -0.12 0.86 1.02 -1.26 -5.17 119.74 112.07 2q4r s LYS 114 Ca -0.02 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 2q4r s LYS 114 Cb 0.13 0.46 0.04 0.00 -0.52 0.00 0.00 37.83 37.94 2q4r s LYS 114 CO 0.70 -0.40 0.32 0.15 -0.92 0.00 0.00 175.35 175.20 2q4r s LYS 115 N -3.60 0.36 0.00 1.68 1.02 -1.26 -4.72 119.74 113.21 2q4r s LYS 115 Ca 0.02 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.50 2q4r s LYS 115 Cb 0.02 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 2q4r s LYS 115 CO -0.11 -0.07 0.00 0.54 -0.92 0.00 0.00 175.35 174.79 2q4r n ARG 116 N 3.20 0.00 -3.93 1.68 5.12 0.18 -5.03 116.66 117.87 2q4r n ARG 116 Ca -0.15 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.67 2q4r n ARG 116 Cb 0.57 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.80 2q4r n ARG 116 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2q4r s GLY 117 N 0.00 0.36 -0.56 -0.13 0.00 -1.26 -4.92 107.32 100.81 2q4r s GLY 117 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 2q4r s GLY 117 CO 0.00 -0.86 0.50 2.41 0.00 0.00 0.00 173.10 175.15 2q4r n THR 118 N -0.14 -5.93 -0.03 0.90 -1.04 -1.26 -0.95 114.28 105.82 2q4r n THR 118 Ca -0.10 -0.60 -0.15 0.00 -2.04 0.00 0.00 64.05 61.16 2q4r n THR 118 Cb 0.63 -5.19 -0.11 0.00 -1.82 0.00 0.00 70.33 63.84 2q4r n THR 118 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2q4r h PHE 119 N -0.36 0.22 -3.43 -1.42 0.04 -1.91 0.45 116.94 110.52 2q4r h PHE 119 Ca -0.25 -0.11 -0.65 0.00 2.80 0.00 0.00 57.97 59.76 2q4r h PHE 119 Cb 1.13 -0.03 -0.24 0.00 2.20 0.00 0.00 35.95 39.00 2q4r h PHE 119 CO 0.16 0.87 -0.68 0.42 -0.60 0.00 0.00 178.31 178.48 2q4r s ILE 120 N -3.30 3.78 -0.34 -0.55 1.09 -1.26 0.23 121.20 120.86 2q4r s ILE 120 Ca -0.16 -0.37 -0.02 0.00 -1.10 0.00 0.00 60.65 59.00 2q4r s ILE 120 Cb 0.01 -2.71 0.07 0.00 -1.06 0.00 0.00 42.46 38.77 2q4r s ILE 120 CO 0.73 0.42 0.08 -0.70 -0.10 0.00 0.00 174.94 175.37 2q4r s GLU 121 N 1.14 2.26 -0.01 2.79 2.12 0.76 -4.96 118.70 122.80 2q4r s GLU 121 Ca 0.02 -1.47 -0.30 0.00 0.36 0.00 0.00 54.97 53.58 2q4r s GLU 121 Cb -0.14 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2q4r s GLU 121 CO 0.01 -0.79 1.24 0.12 -0.54 0.00 0.00 175.26 175.30 2q4r s PHE 122 N 1.21 3.19 0.14 5.30 5.36 -1.26 -1.53 117.98 130.38 2q4r s PHE 122 Ca 0.00 1.16 0.07 0.00 -0.96 0.00 0.00 56.93 57.20 2q4r s PHE 122 Cb -0.21 -3.47 -0.04 0.00 -0.34 0.00 0.00 43.02 38.96 2q4r s PHE 122 CO -0.02 -1.54 -0.15 1.03 -1.46 0.00 0.00 175.22 173.08 2q4r s ARG 123 N 1.95 1.13 0.49 10.12 0.52 -1.26 -5.00 118.95 126.90 2q4r s ARG 123 Ca 0.58 -1.34 0.22 0.00 -0.52 0.00 0.00 55.73 54.67 2q4r s ARG 123 Cb -0.27 -1.03 1.26 0.00 0.52 0.00 0.00 34.95 35.42 2q4r s ARG 123 CO 0.25 0.20 1.96 -0.91 0.02 0.00 0.00 175.30 176.81 2q4r h ASN 124 N 3.30 0.16 -0.25 0.23 2.35 -1.95 -3.43 115.58 115.99 2q4r h ASN 124 Ca -0.40 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2q4r h ASN 124 Cb 1.20 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2q4r h ASN 124 CO 0.53 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 177.00 2q4r n GLY 125 N -1.60 1.42 3.04 2.83 0.00 -1.26 0.84 105.19 110.46 2q4r n GLY 125 Ca 0.12 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.12 4.45 -0.23 0.99 1.43 -0.27 -4.50 118.68 119.43 2q4r s LEU 127 Ca 0.24 -1.94 -0.27 0.00 -1.03 0.00 0.00 54.13 51.14 2q4r s LEU 127 Cb 0.14 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2q4r s LEU 127 CO 0.20 -0.34 0.95 0.21 0.23 0.00 0.00 176.35 177.60 2q4r s ASN 128 N 1.02 6.99 -0.12 2.29 3.84 -0.59 -2.49 114.94 125.88 2q4r s ASN 128 Ca 0.05 1.24 -0.02 0.00 0.21 0.00 0.00 52.86 54.34 2q4r s ASN 128 Cb -0.20 -2.50 -0.03 0.00 -0.55 0.00 0.00 41.25 37.98 2q4r s ASN 128 CO -0.07 -0.61 -0.06 -0.69 -2.79 0.00 0.00 177.10 172.89 2q4r s VAL 129 N 3.05 3.75 -0.11 -5.21 1.01 -0.12 -0.17 120.40 122.60 2q4r s VAL 129 Ca 0.40 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2q4r s VAL 129 Cb -0.15 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.67 2q4r s VAL 129 CO 0.07 0.53 0.03 -0.55 0.00 0.00 0.00 175.10 175.18 2q4r s SER 130 N -0.02 1.89 0.39 3.32 0.15 0.13 -0.53 113.70 119.03 2q4r s SER 130 Ca 0.00 -0.29 0.07 0.00 0.70 0.00 0.00 55.95 56.44 2q4r s SER 130 Cb -0.13 -0.38 0.83 0.00 -1.71 0.00 0.00 66.02 64.62 2q4r s SER 130 CO 0.03 -0.25 2.01 -0.65 1.20 0.00 0.00 173.24 175.58 2q4r h PRO 131 N 8.35 0.61 0.15 5.44 0.11 -1.86 -2.74 132.00 142.06 2q4r h PRO 131 Ca -0.17 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.60 2q4r h PRO 131 Cb 1.13 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2q4r h PRO 131 CO 0.26 0.40 -1.50 0.97 -0.21 0.00 0.00 178.00 177.92 2q4r h ILE 132 N 0.63 1.21 0.00 4.15 2.10 -1.86 -3.45 117.51 120.27 2q4r h ILE 132 Ca 0.22 -2.79 0.00 0.00 1.08 0.00 0.00 64.86 63.37 2q4r h ILE 132 Cb 0.12 2.84 0.00 0.00 -1.09 0.00 0.00 36.82 38.68 2q4r h ILE 132 CO -0.06 0.84 0.00 0.61 -1.08 0.00 0.00 178.15 178.46 2q4r n GLY 133 N 1.68 2.99 0.26 8.18 0.00 -1.03 0.48 105.19 117.75 2q4r n GLY 133 Ca -0.16 -1.39 0.17 0.00 0.00 0.00 0.00 46.02 44.63 2q4r n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q4r h ARG 134 N 0.00 0.00 -2.24 1.61 3.08 0.54 -2.68 114.38 114.70 2q4r h ARG 134 Ca 0.00 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.30 2q4r h ARG 134 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.82 2q4r h ARG 134 CO 0.00 0.00 1.26 -1.13 -1.07 0.00 0.00 179.97 179.03 2q4r n SER 135 N -2.69 7.45 -3.78 7.04 3.41 -0.13 -4.94 113.62 119.99 2q4r n SER 135 Ca -0.02 -3.56 -0.12 0.00 -0.26 0.00 0.00 58.87 54.90 2q4r n SER 135 Cb 0.08 -1.19 0.04 0.00 -0.26 0.00 0.00 64.21 62.88 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 -3.22 3.47 0.11 0.00 1.04 -1.26 -4.94 113.70 108.90 2q4r s SER 137 Ca 0.37 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.45 2q4r s SER 137 Cb -0.03 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 2q4r s SER 137 CO 0.24 -0.15 1.39 -0.61 0.98 0.00 0.00 173.24 175.09 2q4r h GLN 138 N 2.17 -0.01 -0.56 4.02 -0.00 -2.01 0.59 115.11 119.31 2q4r h GLN 138 Ca -0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.19 2q4r h GLN 138 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.71 2q4r h GLN 138 CO 0.66 -0.01 0.14 0.93 0.00 0.00 0.00 178.83 180.55 2q4r h GLU 139 N -0.02 0.89 0.11 1.69 5.08 -1.98 -1.26 114.58 119.09 2q4r h GLU 139 Ca 0.11 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2q4r h GLU 139 Cb 0.30 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2q4r h GLU 139 CO -0.66 0.83 -0.26 0.93 -1.00 0.00 0.00 179.01 178.84 2q4r h GLU 140 N 0.79 -0.45 0.72 2.33 5.08 -1.45 0.51 114.58 122.11 2q4r h GLU 140 Ca 0.18 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2q4r h GLU 140 Cb 0.34 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2q4r h GLU 140 CO 0.00 -0.30 -0.44 -0.09 -1.00 0.00 0.00 179.01 177.18 2q4r h ARG 141 N -0.47 -1.05 -0.50 2.33 2.43 0.19 0.32 114.38 117.64 2q4r h ARG 141 Ca 0.03 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 2q4r h ARG 141 Cb 0.50 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.21 2q4r h ARG 141 CO -0.16 -0.70 0.02 0.82 -1.51 0.00 0.00 179.97 178.44 2q4r h ILE 142 N -1.09 0.63 -0.24 1.20 1.08 -1.11 -1.60 117.51 116.38 2q4r h ILE 142 Ca -0.09 -0.05 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2q4r h ILE 142 Cb 0.88 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 2q4r h ILE 142 CO 0.10 0.02 0.10 -0.08 -0.69 0.00 0.00 178.15 177.60 2q4r h GLU 143 N 0.14 0.22 -0.78 2.37 4.81 0.25 -2.52 114.58 119.06 2q4r h GLU 143 Ca 0.25 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.64 2q4r h GLU 143 Cb 0.37 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.59 2q4r h GLU 143 CO -0.40 0.14 0.26 0.35 -0.73 0.00 0.00 179.01 178.64 2q4r h PHE 144 N 0.22 0.43 0.83 0.92 3.57 0.60 -2.82 116.94 120.70 2q4r h PHE 144 Ca 0.10 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2q4r h PHE 144 Cb 0.05 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 38.73 2q4r h PHE 144 CO -0.11 -0.03 -0.40 -0.92 -2.23 0.00 0.00 178.31 174.62 2q4r h TYR 145 N 0.35 -1.04 -0.63 0.41 3.20 -1.00 -0.49 116.97 117.78 2q4r h TYR 145 Ca 0.45 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.48 2q4r h TYR 145 Cb 0.77 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 2q4r h TYR 145 CO -0.21 -0.64 0.82 1.05 -1.64 0.00 0.00 178.16 177.55 2q4r h GLU 146 N -1.26 0.00 0.01 1.82 -0.00 -1.28 1.58 114.58 115.45 2q4r h GLU 146 Ca -0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.23 2q4r h GLU 146 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.62 2q4r h GLU 146 CO 0.19 0.00 -0.07 1.25 -0.00 0.00 0.00 179.01 180.37 2q4r h LEU 147 N 0.00 0.04 -2.28 3.06 5.85 -1.24 -3.19 115.31 117.56 2q4r h LEU 147 Ca 0.30 -0.99 0.00 0.00 0.84 0.00 0.00 57.88 58.03 2q4r h LEU 147 Cb 1.94 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.96 2q4r h LEU 147 CO -0.00 1.03 0.00 -0.78 -0.34 0.00 0.00 178.44 178.34 2q4r h ASP 148 N -0.93 0.00 0.40 1.25 3.58 0.36 0.63 116.42 121.71 2q4r h ASP 148 Ca -0.01 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.19 2q4r h ASP 148 Cb 1.05 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.11 2q4r h ASP 148 CO 0.01 0.00 -1.07 0.11 -2.88 0.00 0.00 179.24 175.41 2q4r h LYS 149 N 0.00 0.39 0.00 0.28 1.79 0.44 -1.73 116.57 117.74 2q4r h LYS 149 Ca 0.00 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2q4r h LYS 149 Cb 0.01 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2q4r h LYS 149 CO 0.00 1.17 0.00 1.17 -1.08 0.00 0.00 179.45 180.71 2q4r n LYS 150 N -3.69 0.00 0.00 3.15 4.81 0.21 -4.20 118.16 118.45 2q4r n LYS 150 Ca -0.08 0.15 0.13 0.00 -0.87 0.00 0.00 58.31 57.64 2q4r n LYS 150 Cb 0.91 -1.03 0.39 0.00 0.02 0.00 0.00 35.03 35.33 2q4r n LYS 150 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2q4r n GLU 151 N -0.95 0.87 -2.89 1.64 -0.58 -1.20 -4.98 120.64 112.55 2q4r n GLU 151 Ca 0.00 -0.51 -0.04 0.00 -0.42 0.00 0.00 57.16 56.19 2q4r n GLU 151 Cb 0.00 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.40 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 -0.62 -6.66 -0.07 1.62 3.02 -0.65 -4.86 115.26 107.04 2q4r n ASN 152 Ca 0.13 -0.24 -0.05 0.00 -0.03 0.00 0.00 54.58 54.38 2q4r n ASN 152 Cb 0.35 -4.65 -0.04 0.00 -0.61 0.00 0.00 39.78 34.82 2q4r n ASN 152 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2q4r h ILE 153 N -0.05 0.00 -0.21 2.41 1.08 -1.83 -3.01 117.51 115.90 2q4r h ILE 153 Ca -0.18 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.35 2q4r h ILE 153 Cb 1.09 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.78 2q4r h ILE 153 CO 0.30 0.00 -0.15 0.03 -0.69 0.00 0.00 178.15 177.63 2q4r h ARG 154 N -0.14 -0.15 -0.90 2.37 3.08 -1.92 -2.32 114.38 114.41 2q4r h ARG 154 Ca 0.03 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.28 2q4r h ARG 154 Cb 0.23 0.03 -0.17 0.00 0.08 0.00 0.00 29.97 30.14 2q4r h ARG 154 CO -0.25 -0.10 -0.20 0.37 -1.07 0.00 0.00 179.97 178.72 2q4r h GLN 155 N -0.15 0.01 -0.16 0.04 4.15 -1.90 0.56 115.11 117.65 2q4r h GLN 155 Ca 0.12 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.36 2q4r h GLN 155 Cb 0.33 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.03 2q4r h GLN 155 CO -0.30 0.00 -0.59 -0.22 -1.93 0.00 0.00 178.83 175.79 2q4r h LYS 156 N 0.01 0.69 -0.05 1.69 3.64 -1.48 0.25 116.57 121.31 2q4r h LYS 156 Ca 0.45 -0.52 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2q4r h LYS 156 Cb 0.71 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2q4r h LYS 156 CO -0.92 1.14 -0.12 0.35 -2.27 0.00 0.00 179.45 177.63 2q4r h PHE 157 N 0.38 -0.37 -0.95 1.91 3.04 0.16 0.99 116.94 122.11 2q4r h PHE 157 Ca -0.03 0.02 0.17 0.00 3.98 0.00 0.00 57.97 62.11 2q4r h PHE 157 Cb 1.22 0.17 -0.08 0.00 2.56 0.00 0.00 35.95 39.82 2q4r h PHE 157 CO 0.09 -0.12 0.60 0.28 -2.02 0.00 0.00 178.31 177.15 2q4r h VAL 158 N -0.12 0.77 -0.31 1.41 2.07 -0.14 0.13 116.25 120.06 2q4r h VAL 158 Ca 0.01 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2q4r h VAL 158 Cb 0.15 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2q4r h VAL 158 CO -0.11 0.12 0.19 0.00 0.02 0.00 0.00 177.57 177.79 2q4r h ALA 159 N 1.61 0.39 -0.54 1.67 0.00 0.16 0.58 119.26 123.12 2q4r h ALA 159 Ca 0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 2q4r h ALA 159 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2q4r h ALA 159 CO -0.26 -0.11 0.21 -0.44 0.00 0.00 0.00 179.25 178.64 2q4r h ASP 160 N 0.40 0.76 -0.22 0.00 3.32 0.31 -1.30 116.42 119.70 2q4r h ASP 160 Ca 0.11 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2q4r h ASP 160 Cb -0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2q4r h ASP 160 CO -0.02 0.73 0.09 -0.07 -1.72 0.00 0.00 179.24 178.25 2q4r h LEU 161 N 0.74 0.12 -1.80 1.55 3.38 -0.18 2.54 115.31 121.67 2q4r h LEU 161 Ca 0.18 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2q4r h LEU 161 Cb 0.22 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2q4r h LEU 161 CO -0.01 0.10 -0.04 -0.09 0.09 0.00 0.00 178.44 178.49 2q4r h ARG 162 N 0.20 0.08 0.00 1.13 2.43 0.31 -0.87 114.38 117.66 2q4r h ARG 162 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2q4r h ARG 162 Cb 0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2q4r h ARG 162 CO -0.08 0.13 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.19 2q4r h LYS 163 N 0.08 0.00 -1.44 0.20 3.64 0.02 -3.21 116.57 115.86 2q4r h LYS 163 Ca 0.02 0.00 0.43 0.00 -1.27 0.00 0.00 60.65 59.83 2q4r h LYS 163 Cb 0.12 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 2q4r h LYS 163 CO 0.01 0.00 0.99 1.49 -2.27 0.00 0.00 179.45 179.66 2q4r h GLU 164 N -0.29 0.07 -1.04 1.90 4.57 0.43 0.20 114.58 120.42 2q4r h GLU 164 Ca 0.00 -0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 2q4r h GLU 164 Cb 0.09 -0.02 -0.38 0.00 -0.16 0.00 0.00 28.75 28.29 2q4r h GLU 164 CO 0.00 0.05 -0.23 1.19 -1.18 0.00 0.00 179.01 178.84 2q4r n PHE 165 N -4.35 3.00 -1.56 0.92 3.72 -0.33 -5.05 117.46 113.82 2q4r n PHE 165 Ca 0.35 -2.58 -0.33 0.00 -0.05 0.00 0.00 57.45 54.84 2q4r n PHE 165 Cb 1.48 -0.64 0.07 0.00 -0.94 0.00 0.00 39.48 39.45 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 -3.69 2.31 0.00 4.37 0.00 0.69 -2.74 121.76 122.70 2q4r s ALA 166 Ca 0.54 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2q4r s ALA 166 Cb 0.44 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2q4r s ALA 166 CO -0.05 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 174.57 2q4r n GLY 167 N -0.40 1.24 0.00 0.00 0.00 -1.26 -4.77 105.19 100.00 2q4r n GLY 167 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 2q4r n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4r n LYS 168 N -1.88 0.01 -2.73 1.61 4.76 -1.11 -4.92 118.16 113.90 2q4r n LYS 168 Ca 0.00 0.23 -0.09 0.00 -2.87 0.00 0.00 58.31 55.59 2q4r n LYS 168 Cb 0.00 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.74 2q4r n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q4r n GLY 169 N 0.06 -0.00 2.02 0.72 0.00 -1.26 -5.06 105.19 101.67 2q4r n GLY 169 Ca 0.04 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 2q4r n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4r n LEU 170 N -2.64 0.00 -3.49 0.99 4.77 -1.26 -4.06 117.00 111.31 2q4r n LEU 170 Ca -0.14 -1.75 -0.11 0.00 -0.03 0.00 0.00 56.01 53.98 2q4r n LEU 170 Cb 0.59 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.83 2q4r n LEU 170 CO 0.32 -0.27 0.43 -0.89 -1.33 0.00 0.00 177.39 175.66 2q4r s THR 171 N -1.96 0.00 0.13 -5.08 2.01 -0.92 -4.76 115.64 105.06 2q4r s THR 171 Ca 0.02 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 61.92 2q4r s THR 171 Cb -0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2q4r s THR 171 CO 0.01 0.00 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.47 2q4r s PHE 172 N -3.72 1.26 -0.14 4.92 0.08 -1.25 -2.38 117.98 116.75 2q4r s PHE 172 Ca 0.03 -0.68 -0.09 0.00 0.12 0.00 0.00 56.93 56.31 2q4r s PHE 172 Cb -0.02 -0.65 0.05 0.00 -0.57 0.00 0.00 43.02 41.83 2q4r s PHE 172 CO -0.10 0.09 0.34 0.45 -0.10 0.00 0.00 175.22 175.90 2q4r s SER 173 N -2.83 -0.39 -0.64 1.36 0.15 -0.64 -4.91 113.70 105.79 2q4r s SER 173 Ca 0.12 0.71 -0.08 0.00 0.70 0.00 0.00 55.95 57.41 2q4r s SER 173 Cb -0.01 0.63 0.17 0.00 -1.71 0.00 0.00 66.02 65.10 2q4r s SER 173 CO 0.01 -0.16 0.50 -0.63 1.20 0.00 0.00 173.24 174.16 2q4r s ILE 174 N 1.01 4.37 -1.09 6.45 1.01 -1.26 0.75 121.20 132.45 2q4r s ILE 174 Ca -0.07 -2.50 0.15 0.00 0.00 0.00 0.00 60.65 58.24 2q4r s ILE 174 Cb -0.07 -3.81 0.16 0.00 0.01 0.00 0.00 42.46 38.74 2q4r s ILE 174 CO -0.08 -0.89 1.47 0.61 0.00 0.00 0.00 174.94 176.06 2q4r n GLY 175 N 4.02 -0.97 0.00 6.18 0.00 -1.25 -4.92 105.19 108.24 2q4r n GLY 175 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.05 0.33 0.15 -0.02 0.00 -1.26 -5.06 105.19 99.38 2q4r n GLY 176 Ca 0.04 0.46 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 0.57 -0.11 1.61 6.02 -1.26 -4.87 117.38 119.33 2q4r n GLN 177 Ca 0.00 0.16 -0.22 0.00 -0.01 0.00 0.00 57.00 56.93 2q4r n GLN 177 Cb 0.00 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.72 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 -3.43 1.52 -4.04 5.09 -0.00 -1.26 -4.78 119.36 112.45 2q4r n ILE 178 Ca -0.43 -0.11 -0.25 0.00 -0.00 0.00 0.00 62.75 61.96 2q4r n ILE 178 Cb 0.91 -2.03 -0.04 0.00 -0.00 0.00 0.00 39.64 38.48 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 -6.92 5.80 0.07 7.28 1.04 -1.26 -3.92 113.70 115.79 2q4r s SER 179 Ca -0.31 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.10 2q4r s SER 179 Cb 0.08 -1.59 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 2q4r s SER 179 CO 0.53 0.03 -0.12 0.72 0.98 0.00 0.00 173.24 175.38 2q4r s PHE 180 N -1.85 1.07 0.03 5.02 -0.12 0.30 -3.93 117.98 118.50 2q4r s PHE 180 Ca 0.32 -0.51 0.01 0.00 -0.05 0.00 0.00 56.93 56.70 2q4r s PHE 180 Cb -0.10 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 2q4r s PHE 180 CO 0.25 0.02 0.07 -0.51 -0.05 0.00 0.00 175.22 175.00 2q4r s ASP 181 N -1.88 5.57 -0.14 1.98 1.01 0.23 -0.95 116.67 122.49 2q4r s ASP 181 Ca -0.02 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.32 2q4r s ASP 181 Cb -0.08 -1.55 0.02 0.00 1.01 0.00 0.00 42.92 42.32 2q4r s ASP 181 CO 0.01 0.24 -0.13 -0.69 0.21 0.00 0.00 175.17 174.81 2q4r s VAL 182 N -1.26 1.47 0.19 -1.27 1.01 -1.04 -1.62 120.40 117.88 2q4r s VAL 182 Ca 0.25 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2q4r s VAL 182 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2q4r s VAL 182 CO 0.17 0.44 0.42 0.72 0.00 0.00 0.00 175.10 176.84 2q4r s PHE 183 N 1.42 0.15 0.54 5.22 -0.12 -1.00 -1.12 117.98 123.07 2q4r s PHE 183 Ca 0.03 -0.51 -0.20 0.00 -0.05 0.00 0.00 56.93 56.20 2q4r s PHE 183 Cb -0.13 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.38 2q4r s PHE 183 CO -0.09 -0.84 1.13 -2.14 -0.05 0.00 0.00 175.22 173.23 2q4r s PRO 184 N -3.93 3.39 0.20 1.99 0.02 -1.26 -2.17 135.00 133.23 2q4r s PRO 184 Ca 0.14 1.62 -0.33 0.00 0.02 0.00 0.00 61.00 62.45 2q4r s PRO 184 Cb 0.01 -2.03 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 2q4r s PRO 184 CO -0.00 -0.83 1.53 -0.25 -0.33 0.00 0.00 177.00 177.13 2q4r n ASP 185 N -1.24 3.09 0.00 2.53 8.00 -1.26 -1.84 116.55 125.83 2q4r n ASP 185 Ca 0.11 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.72 2q4r n ASP 185 Cb 0.51 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 186 N 2.97 0.99 1.72 0.44 0.00 -1.26 -4.92 105.19 105.14 2q4r n GLY 186 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -2.85 1.61 7.02 -0.77 -3.59 117.44 116.86 2q4r n TRP 187 Ca 0.00 -1.00 0.00 0.00 -1.02 0.00 0.00 57.50 55.48 2q4r n TRP 187 Cb 0.00 -0.77 0.00 0.00 -2.42 0.00 0.00 31.31 28.12 2q4r n TRP 187 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2q4r n ASP 188 N 1.88 0.91 0.17 -0.99 5.75 -1.26 -4.93 116.55 118.08 2q4r n ASP 188 Ca 0.12 -0.40 0.17 0.00 -0.01 0.00 0.00 54.79 54.67 2q4r n ASP 188 Cb 0.55 0.00 0.80 0.00 -1.03 0.00 0.00 41.12 41.43 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 -0.02 0.11 1.57 -1.85 -0.86 116.57 115.53 2q4r h LYS 189 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2q4r h LYS 189 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2q4r h LYS 189 CO 0.00 0.00 0.15 0.00 -0.57 0.00 0.00 179.45 179.03 2q4r h ARG 190 N 0.00 0.00 -0.70 3.15 3.08 -1.85 -2.79 114.38 115.27 2q4r h ARG 190 Ca 0.11 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.25 2q4r h ARG 190 Cb 0.59 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 2q4r h ARG 190 CO -0.00 0.00 0.36 -0.92 -1.07 0.00 0.00 179.97 178.34 2q4r h TYR 191 N 0.00 0.65 -0.33 3.04 3.20 -1.20 -2.52 116.97 119.80 2q4r h TYR 191 Ca 0.01 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.00 2q4r h TYR 191 Cb 0.31 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2q4r h TYR 191 CO 0.00 0.26 0.24 0.00 -1.64 0.00 0.00 178.16 177.02 2q4r h LEU 193 N 0.02 0.33 0.00 0.00 3.38 -1.65 0.16 115.31 117.55 2q4r h LEU 193 Ca 0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2q4r h LEU 193 Cb 0.61 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2q4r h LEU 193 CO -0.01 0.13 0.00 -2.11 0.09 0.00 0.00 178.44 176.55 2q4r n ARG 194 N -4.47 0.37 -0.00 1.13 1.85 -0.93 -1.56 116.66 113.05 2q4r n ARG 194 Ca 0.18 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 57.07 2q4r n ARG 194 Cb 0.72 -1.15 -0.05 0.00 -1.05 0.00 0.00 32.46 30.93 2q4r n ARG 194 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2q4r n HIS 195 N -0.65 0.00 0.00 2.89 8.25 0.56 -4.76 115.22 121.52 2q4r n HIS 195 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2q4r n HIS 195 Cb 0.01 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.71 0.00 0.32 1.59 0.24 -0.81 -4.76 118.33 113.20 2q4r n VAL 196 Ca -0.01 -0.37 0.20 0.00 -2.04 0.00 0.00 64.34 62.11 2q4r n VAL 196 Cb 0.17 0.87 1.06 0.00 -1.47 0.00 0.00 33.84 34.47 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 -0.54 7.34 4.11 -1.58 -2.56 114.58 121.35 2q4r h GLU 197 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2q4r h GLU 197 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2q4r h GLU 197 CO 0.00 0.01 0.00 0.09 0.07 0.00 0.00 179.01 179.18 2q4r n ASN 198 N -3.33 4.93 -1.26 3.06 3.02 -1.26 -4.36 115.26 116.06 2q4r n ASN 198 Ca -0.03 -2.71 0.10 0.00 -0.03 0.00 0.00 54.58 51.91 2q4r n ASN 198 Cb 0.11 -0.60 0.29 0.00 -0.61 0.00 0.00 39.78 38.97 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 0.64 3.66 -0.02 6.41 8.00 -0.96 -4.95 116.55 129.33 2q4r n ASP 199 Ca 0.25 -2.10 -0.00 0.00 0.71 0.00 0.00 54.79 53.65 2q4r n ASP 199 Cb 0.99 -0.46 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 1.41 0.38 3.69 0.44 0.00 -1.26 -5.02 105.19 104.83 2q4r n GLY 200 Ca 0.22 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2q4r n GLY 200 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4r s TYR 201 N -2.01 3.23 0.12 1.61 2.02 -1.26 -4.60 117.35 116.45 2q4r s TYR 201 Ca 0.00 1.21 0.04 0.00 -0.37 0.00 0.00 57.07 57.95 2q4r s TYR 201 Cb 0.00 -3.44 -0.20 0.00 -0.40 0.00 0.00 41.96 37.92 2q4r s TYR 201 CO 0.00 -1.39 1.26 0.87 -1.57 0.00 0.00 175.55 174.72 2q4r h LYS 202 N 7.32 0.08 -4.19 -0.62 6.56 -1.80 -3.45 116.57 120.47 2q4r h LYS 202 Ca -0.37 -0.13 -0.38 0.00 -1.06 0.00 0.00 60.65 58.71 2q4r h LYS 202 Cb 1.18 0.05 -0.32 0.00 -0.57 0.00 0.00 32.23 32.57 2q4r h LYS 202 CO 0.86 1.04 -0.77 0.99 -2.06 0.00 0.00 179.45 179.52 2q4r s THR 203 N -2.76 0.51 -0.29 -0.16 2.01 -1.20 -4.94 115.64 108.81 2q4r s THR 203 Ca -0.01 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2q4r s THR 203 Cb 0.09 -0.50 0.08 0.00 0.01 0.00 0.00 72.50 72.19 2q4r s THR 203 CO 0.83 0.19 0.02 -0.63 -0.69 0.00 0.00 174.62 174.34 2q4r s ILE 204 N 0.47 1.55 0.40 1.82 1.01 -1.26 -2.23 121.20 122.97 2q4r s ILE 204 Ca -0.06 -1.60 -0.19 0.00 0.00 0.00 0.00 60.65 58.80 2q4r s ILE 204 Cb -0.10 -2.02 -0.10 0.00 0.01 0.00 0.00 42.46 40.26 2q4r s ILE 204 CO -0.00 -0.41 0.88 -0.31 0.00 0.00 0.00 174.94 175.10 2q4r s TYR 205 N 1.32 3.33 -0.03 3.97 2.02 0.12 -4.41 117.35 123.66 2q4r s TYR 205 Ca 0.04 1.48 0.01 0.00 -0.37 0.00 0.00 57.07 58.22 2q4r s TYR 205 Cb -0.18 -2.74 0.02 0.00 -0.40 0.00 0.00 41.96 38.65 2q4r s TYR 205 CO -0.12 -0.05 -0.04 0.12 -1.57 0.00 0.00 175.55 173.89 2q4r s PHE 206 N -2.13 0.62 -0.14 2.71 5.36 -1.26 -0.74 117.98 122.41 2q4r s PHE 206 Ca 0.59 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 2q4r s PHE 206 Cb -0.09 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 42.07 2q4r s PHE 206 CO 0.15 -0.13 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.59 2q4r s PHE 207 N 0.65 2.00 -0.15 10.12 0.08 0.69 -1.30 117.98 130.06 2q4r s PHE 207 Ca -0.08 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 55.88 2q4r s PHE 207 Cb -0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 2q4r s PHE 207 CO -0.00 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 2q4r n GLY 208 N 4.75 -0.74 3.67 4.36 0.00 -1.22 -1.08 105.19 114.93 2q4r n GLY 208 Ca -0.16 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 6.96 0.21 1.61 1.11 -1.26 -2.83 116.67 118.48 2q4r s ASP 209 Ca 0.00 1.18 0.04 0.00 0.18 0.00 0.00 52.55 53.95 2q4r s ASP 209 Cb 0.00 -2.46 0.17 0.00 1.07 0.00 0.00 42.92 41.70 2q4r s ASP 209 CO 0.00 -0.40 1.50 0.07 1.18 0.00 0.00 175.17 177.52 2q4r h LYS 210 N 7.33 0.21 0.00 8.23 2.10 -1.94 -3.43 116.57 129.07 2q4r h LYS 210 Ca -0.29 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2q4r h LYS 210 Cb 1.13 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2q4r h LYS 210 CO 0.84 0.82 0.00 0.25 -2.00 0.00 0.00 179.45 179.36 2q4r n THR 211 N -3.79 0.00 0.00 0.07 -2.24 -1.26 -0.05 114.28 107.00 2q4r n THR 211 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2q4r n THR 211 Cb 0.68 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2q4r n THR 211 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2q4r n ASN 216 N 0.00 0.00 -3.17 3.42 5.15 -1.26 -4.89 115.26 114.51 2q4r n ASN 216 Ca 0.00 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.03 2q4r n ASN 216 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2q4r s ASP 217 N -4.00 -0.26 -0.28 1.20 -1.08 -1.26 -5.13 116.67 105.85 2q4r s ASP 217 Ca 0.00 0.20 -0.23 0.00 -0.52 0.00 0.00 52.55 52.00 2q4r s ASP 217 Cb 0.00 1.23 -0.01 0.00 -1.46 0.00 0.00 42.92 42.69 2q4r s ASP 217 CO 0.00 -0.05 0.74 -2.28 0.52 0.00 0.00 175.17 174.10 2q4r s HIS 218 N 2.84 3.24 0.17 -5.34 5.65 0.92 -4.98 115.29 117.79 2q4r s HIS 218 Ca -0.05 0.85 -0.25 0.00 0.25 0.00 0.00 55.06 55.87 2q4r s HIS 218 Cb -0.08 -3.08 0.05 0.00 -1.18 0.00 0.00 32.58 28.29 2q4r s HIS 218 CO -0.10 -0.47 1.57 0.93 -0.65 0.00 0.00 174.74 176.01 2q4r h GLU 219 N 7.99 -0.21 -0.64 2.88 3.07 -1.94 -0.59 114.58 125.13 2q4r h GLU 219 Ca -0.25 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.70 2q4r h GLU 219 Cb 1.10 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.02 2q4r h GLU 219 CO 0.85 -0.14 0.43 0.97 -1.40 0.00 0.00 179.01 179.71 2q4r h ILE 220 N -0.22 0.97 -0.44 3.13 2.10 -1.93 2.03 117.51 123.15 2q4r h ILE 220 Ca 0.19 -0.20 -0.03 0.00 1.08 0.00 0.00 64.86 65.90 2q4r h ILE 220 Cb 0.56 0.33 -0.02 0.00 -1.09 0.00 0.00 36.82 36.61 2q4r h ILE 220 CO -0.68 0.11 0.17 0.15 -1.08 0.00 0.00 178.15 176.82 2q4r h PHE 221 N 0.59 0.67 0.00 2.19 3.57 -1.45 -3.07 116.94 119.44 2q4r h PHE 221 Ca 0.28 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2q4r h PHE 221 Cb 0.36 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2q4r h PHE 221 CO -0.00 0.58 -0.71 0.25 -2.23 0.00 0.00 178.31 176.20 2q4r n THR 222 N -4.61 0.03 -1.55 4.41 -2.24 -0.36 -4.32 114.28 105.64 2q4r n THR 222 Ca 0.01 -0.03 -0.46 0.00 -2.27 0.00 0.00 64.05 61.29 2q4r n THR 222 Cb 0.15 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 2q4r n THR 222 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2q4r n ASP 223 N -1.57 0.76 -0.43 3.42 -0.08 0.67 -4.79 116.55 114.53 2q4r n ASP 223 Ca 0.05 1.17 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 2q4r n ASP 223 Cb 0.35 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.60 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 0.85 0.43 0.00 -0.67 -0.04 -1.26 -2.69 135.00 131.61 2q4r n PRO 224 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2q4r n PRO 224 Cb 0.30 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.18 0.13 0.00 0.54 1.74 -1.26 -5.21 116.66 112.78 2q4r n ARG 225 Ca 0.00 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 2q4r n ARG 225 Cb 0.09 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 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 -0.11 0.00 -3.59 0.55 -2.24 -1.10 -4.55 114.28 103.23 2q4r n THR 226 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2q4r n THR 226 Cb 0.05 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.32 -0.27 3.38 0.00 -1.26 -4.93 107.32 103.91 2q4r s GLY 228 Ca 0.00 2.12 -0.01 0.00 0.00 0.00 0.00 44.72 46.83 2q4r s GLY 228 CO 0.00 1.39 0.30 -0.19 0.00 0.00 0.00 173.10 174.60 2q4r s TYR 229 N -0.46 -0.49 -0.10 1.90 2.02 -0.42 -4.93 117.35 114.87 2q4r s TYR 229 Ca -0.02 -0.02 -0.28 0.00 -0.37 0.00 0.00 57.07 56.38 2q4r s TYR 229 Cb -0.03 -0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 41.12 2q4r s TYR 229 CO 0.00 -0.86 0.95 -1.54 -1.57 0.00 0.00 175.55 172.53 2q4r s SER 230 N 2.38 7.18 0.23 2.29 1.04 -1.26 -3.40 113.70 122.16 2q4r s SER 230 Ca 0.09 1.45 0.08 0.00 0.48 0.00 0.00 55.95 58.05 2q4r s SER 230 Cb -0.14 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2q4r s SER 230 CO -0.29 -0.40 0.04 0.68 0.98 0.00 0.00 173.24 174.26 2q4r s VAL 231 N 1.85 3.77 -2.37 5.02 -7.23 -1.13 -4.95 120.40 115.38 2q4r s VAL 231 Ca 0.46 -1.62 0.23 0.00 -1.81 0.00 0.00 61.98 59.24 2q4r s VAL 231 Cb -0.18 -2.98 0.08 0.00 0.56 0.00 0.00 36.38 33.86 2q4r s VAL 231 CO 0.18 -0.27 1.18 0.35 -0.31 0.00 0.00 175.10 176.23 2q4r n THR 232 N -0.68 0.00 0.00 5.32 -2.24 -1.26 -4.77 114.28 110.65 2q4r n THR 232 Ca -0.08 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2q4r n THR 232 Cb 0.57 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.42 0.00 0.08 6.98 0.00 -1.26 -4.99 120.51 121.74 2q4r n ALA 233 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.61 2q4r n ALA 233 Cb 0.51 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.45 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 0.37 -0.84 0.00 0.11 -1.73 -1.88 132.00 128.04 2q4r h PRO 234 Ca 0.00 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.11 2q4r h PRO 234 Cb 0.00 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 30.98 2q4r h PRO 234 CO 0.00 0.24 0.55 0.93 -0.21 0.00 0.00 178.00 179.52 2q4r h GLU 235 N 0.38 1.04 -0.06 1.05 3.07 -1.95 -2.38 114.58 115.74 2q4r h GLU 235 Ca 0.11 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 2q4r h GLU 235 Cb -0.03 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.65 2q4r h GLU 235 CO -0.02 0.69 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.63 2q4r h ASP 236 N 1.07 0.28 -1.02 1.42 5.19 -1.75 -2.10 116.42 119.52 2q4r h ASP 236 Ca 0.32 -0.62 0.25 0.00 -0.62 0.00 0.00 57.03 56.36 2q4r h ASP 236 Cb -0.03 -0.08 -0.10 0.00 0.18 0.00 0.00 39.33 39.30 2q4r h ASP 236 CO -0.09 0.85 0.64 0.74 -3.12 0.00 0.00 179.24 178.27 2q4r h THR 237 N -0.27 0.57 0.12 0.35 2.02 -1.09 0.15 112.91 114.76 2q4r h THR 237 Ca -0.01 -0.16 -0.27 0.00 0.77 0.00 0.00 66.41 66.74 2q4r h THR 237 Cb 0.83 0.04 0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2q4r h THR 237 CO 0.04 0.09 -1.12 0.03 0.37 0.00 0.00 175.52 174.93 2q4r h ARG 238 N 0.48 0.54 -0.09 6.66 3.08 -1.40 -2.00 114.38 121.64 2q4r h ARG 238 Ca 0.59 -0.75 0.02 0.00 0.07 0.00 0.00 59.98 59.92 2q4r h ARG 238 Cb 1.34 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 31.62 2q4r h ARG 238 CO -0.33 1.33 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.76 2q4r h ARG 239 N 0.11 -0.06 -0.49 0.04 2.43 -0.43 0.33 114.38 116.30 2q4r h ARG 239 Ca -0.18 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2q4r h ARG 239 Cb 1.83 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.37 2q4r h ARG 239 CO 0.21 -0.04 0.07 0.82 -1.51 0.00 0.00 179.97 179.52 2q4r h ILE 240 N -0.06 1.25 -0.60 1.20 2.04 -1.13 -1.82 117.51 118.38 2q4r h ILE 240 Ca 0.06 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 2q4r h ILE 240 Cb 0.15 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2q4r h ILE 240 CO -0.13 0.34 0.27 0.00 0.00 0.00 0.00 178.15 178.62 2q4r h GLU 242 N 0.86 0.00 0.12 0.00 4.57 -0.05 0.14 114.58 120.22 2q4r h GLU 242 Ca 0.21 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.11 2q4r h GLU 242 Cb 0.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2q4r h GLU 242 CO -0.02 0.19 -1.42 1.25 -1.18 0.00 0.00 179.01 177.82 2q4r h LEU 243 N 0.00 0.40 -0.24 1.64 5.85 -0.29 -3.38 115.31 119.28 2q4r h LEU 243 Ca -0.00 -0.86 -0.21 0.00 0.84 0.00 0.00 57.88 57.65 2q4r h LEU 243 Cb 0.61 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.51 2q4r h LEU 243 CO 0.02 1.63 -0.71 -0.07 -0.34 0.00 0.00 178.44 178.97 2q4r h LEU 244 N -0.28 0.87-10.20 2.25 4.07 -0.37 -3.46 115.31 108.18 2q4r h LEU 244 Ca -0.30 -0.54 -0.64 0.00 0.08 0.00 0.00 57.88 56.48 2q4r h LEU 244 Cb 1.78 -0.26 -0.09 0.00 1.08 0.00 0.00 40.66 43.17 2q4r h LEU 244 CO 0.07 1.33 -0.41 -0.36 -1.08 0.00 0.00 178.44 177.99 2q4r s PHE 245 N -3.82 1.71 0.00 1.13 0.08 0.47 -5.09 117.98 112.46 2q4r s PHE 245 Ca -0.09 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.04 2q4r s PHE 245 Cb 0.09 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 2q4r s PHE 245 CO 0.89 -0.12 0.00 -1.13 -0.10 0.00 0.00 175.22 174.76