#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4r n GLY 5 N 0.00 -0.52 3.68 0.55 0.00 -1.26 -3.94 105.19 103.70 2q4r n GLY 5 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.65 1.11 0.05 1.61 0.02 -1.26 -4.65 135.00 131.22 2q4r s PRO 6 Ca 0.00 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 62.55 2q4r s PRO 6 Cb 0.00 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 2q4r s PRO 6 CO 0.00 -2.57 -0.02 0.00 -0.33 0.00 0.00 177.00 174.09 2q4r s ALA 7 N -2.64 0.42 -0.02 -1.55 0.00 -1.26 -0.89 121.76 115.82 2q4r s ALA 7 Ca 0.67 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2q4r s ALA 7 Cb -0.23 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2q4r s ALA 7 CO 0.57 -0.35 -0.03 -1.17 0.00 0.00 0.00 175.76 174.79 2q4r s LEU 8 N -2.73 1.68 -0.33 0.00 2.96 -0.99 -2.88 118.68 116.39 2q4r s LEU 8 Ca 0.04 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2q4r s LEU 8 Cb 0.06 -0.24 0.04 0.00 0.50 0.00 0.00 46.19 46.54 2q4r s LEU 8 CO -0.09 -0.01 0.08 0.00 -1.32 0.00 0.00 176.35 175.01 2q4r s LEU 10 N 1.37 4.41 0.03 0.00 1.43 0.55 -2.40 118.68 124.07 2q4r s LEU 10 Ca -0.02 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.72 2q4r s LEU 10 Cb -0.19 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2q4r s LEU 10 CO 0.02 0.37 -0.19 -0.36 0.23 0.00 0.00 176.35 176.42 2q4r s PHE 11 N -1.08 1.66 0.44 0.29 0.08 -0.19 -0.05 117.98 119.13 2q4r s PHE 11 Ca 0.19 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.67 2q4r s PHE 11 Cb -0.13 -1.00 -0.10 0.00 -0.57 0.00 0.00 43.02 41.21 2q4r s PHE 11 CO 0.08 0.06 0.96 0.34 -0.10 0.00 0.00 175.22 176.55 2q4r s ASP 12 N -1.01 6.86 0.00 1.36 3.68 0.23 -2.10 116.67 125.68 2q4r s ASP 12 Ca 0.06 1.70 0.00 0.00 2.13 0.00 0.00 52.55 56.45 2q4r s ASP 12 Cb -0.08 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.85 2q4r s ASP 12 CO 0.01 -0.42 0.05 1.33 0.13 0.00 0.00 175.17 176.27 2q4r n VAL 13 N -0.75 0.00 -1.69 1.11 0.24 -1.13 -4.04 118.33 112.06 2q4r n VAL 13 Ca 0.07 0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 62.08 2q4r n VAL 13 Cb 0.54 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.31 4.10 0.00 -1.34 2.03 -1.26 -2.44 116.55 117.33 2q4r n ASP 14 Ca 0.00 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.30 2q4r n ASP 14 Cb 0.00 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.84 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 4.23 2.84 0.12 0.27 0.00 -1.02 -4.83 105.19 106.81 2q4r n GLY 15 Ca 0.18 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 2q4r n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2q4r h THR 16 N 0.00 0.97 -0.00 2.61 2.02 -1.65 -3.39 112.91 113.47 2q4r h THR 16 Ca 0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2q4r h THR 16 Cb 0.00 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2q4r h THR 16 CO 0.00 0.62 -0.62 0.18 0.37 0.00 0.00 175.52 176.07 2q4r n LEU 17 N -4.03 0.77 -4.14 2.58 4.77 -1.04 -3.88 117.00 112.04 2q4r n LEU 17 Ca -0.27 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.06 2q4r n LEU 17 Cb 0.84 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.85 2q4r n LEU 17 CO 0.35 0.18 -0.09 0.42 -1.33 0.00 0.00 177.39 176.91 2q4r s THR 18 N -2.27 0.00 0.34 -5.08 -4.23 -1.25 -4.56 115.64 98.58 2q4r s THR 18 Ca 0.06 -1.81 -0.26 0.00 -1.18 0.00 0.00 61.69 58.51 2q4r s THR 18 Cb 0.11 -2.42 -0.10 0.00 1.34 0.00 0.00 72.50 71.43 2q4r s THR 18 CO 0.56 0.00 0.97 0.00 -0.54 0.00 0.00 174.62 175.60 2q4r s ALA 19 N -4.03 3.19 0.35 3.99 0.00 -1.26 -2.44 121.76 121.56 2q4r s ALA 19 Ca 0.34 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 2q4r s ALA 19 Cb 0.04 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 2q4r s ALA 19 CO 0.12 0.10 0.74 -2.30 0.00 0.00 0.00 175.76 174.42 2q4r n PRO 20 N 0.42 0.82 -4.01 0.00 -0.02 -1.26 -2.23 135.00 128.73 2q4r n PRO 20 Ca 0.03 0.29 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 2q4r n PRO 20 Cb 0.50 -1.60 -0.01 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.64 -3.62 -3.60 -0.52 1.74 -1.26 -4.96 116.66 105.06 2q4r n ARG 21 Ca 0.12 0.43 -0.16 0.00 -0.77 0.00 0.00 57.85 57.46 2q4r n ARG 21 Cb 0.35 -4.83 -0.07 0.00 -1.02 0.00 0.00 32.46 26.89 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 -6.63 0.91 0.66 5.56 -0.21 -0.95 -5.16 119.66 113.85 2q4r s GLN 22 Ca 0.28 0.18 -0.15 0.00 0.02 0.00 0.00 55.36 55.69 2q4r s GLN 22 Cb -0.15 0.43 0.00 0.00 1.00 0.00 0.00 33.01 34.29 2q4r s GLN 22 CO 0.89 -0.26 1.10 0.21 -2.12 0.00 0.00 175.29 175.11 2q4r s LYS 23 N -1.09 2.80 0.78 2.91 2.20 -1.26 -4.47 119.74 121.62 2q4r s LYS 23 Ca -0.11 1.35 -0.13 0.00 -0.36 0.00 0.00 55.97 56.72 2q4r s LYS 23 Cb -0.02 -1.95 0.07 0.00 -1.51 0.00 0.00 37.83 34.42 2q4r s LYS 23 CO 0.07 -1.24 1.17 -1.50 -0.36 0.00 0.00 175.35 173.49 2q4r s ILE 24 N -2.40 2.38 0.35 5.43 2.07 0.86 -4.72 121.20 125.16 2q4r s ILE 24 Ca 0.66 0.16 -0.12 0.00 -1.41 0.00 0.00 60.65 59.94 2q4r s ILE 24 Cb -0.20 -2.56 -0.08 0.00 0.13 0.00 0.00 42.46 39.75 2q4r s ILE 24 CO 0.42 -0.12 0.72 -0.89 -1.91 0.00 0.00 174.94 173.16 2q4r s THR 25 N -2.28 4.77 0.15 4.00 2.01 -1.26 -4.96 115.64 118.06 2q4r s THR 25 Ca 0.70 0.71 -0.16 0.00 0.31 0.00 0.00 61.69 63.26 2q4r s THR 25 Cb -0.26 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2q4r s THR 25 CO 0.50 -0.32 1.77 0.50 -0.69 0.00 0.00 174.62 176.37 2q4r h LYS 26 N 1.84 0.59 0.00 4.92 3.11 -2.00 0.19 116.57 125.22 2q4r h LYS 26 Ca -0.47 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.30 2q4r h LYS 26 Cb 1.18 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2q4r h LYS 26 CO 0.65 0.46 0.00 -1.91 -2.81 0.00 0.00 179.45 175.84 2q4r n GLU 27 N -4.72 0.00 0.00 1.90 2.13 -1.26 0.05 120.64 118.74 2q4r n GLU 27 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2q4r n GLU 27 Cb 0.07 -0.93 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 0.07 0.00 -0.04 4.31 2.03 0.68 -1.45 116.55 122.15 2q4r n ASP 29 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2q4r n ASP 29 Cb 0.00 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.47 -0.05 1.67 3.32 -0.62 -1.11 116.42 120.10 2q4r h ASP 30 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2q4r h ASP 30 Cb 0.00 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2q4r h ASP 30 CO 0.00 0.33 0.01 0.15 -1.72 0.00 0.00 179.24 178.01 2q4r h PHE 31 N 0.55 0.08 0.27 4.55 3.57 -1.48 -2.25 116.94 122.23 2q4r h PHE 31 Ca 0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2q4r h PHE 31 Cb 0.09 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2q4r h PHE 31 CO -0.00 0.30 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.18 2q4r h LEU 32 N -0.16 -0.31 -1.76 0.59 3.38 -1.68 0.15 115.31 115.53 2q4r h LEU 32 Ca 0.01 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.07 2q4r h LEU 32 Cb 0.26 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2q4r h LEU 32 CO 0.00 -0.18 0.38 1.56 0.09 0.00 0.00 178.44 180.29 2q4r h GLN 33 N -0.41 0.26 -0.08 1.13 1.08 -1.27 0.50 115.11 116.31 2q4r h GLN 33 Ca -0.04 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2q4r h GLN 33 Cb 0.31 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2q4r h GLN 33 CO 0.06 0.17 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.83 2q4r h LYS 34 N 0.27 0.19 -0.85 1.46 3.64 -0.83 -3.15 116.57 117.30 2q4r h LYS 34 Ca 0.26 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2q4r h LYS 34 Cb 0.66 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 2q4r h LYS 34 CO -0.06 0.60 0.55 1.25 -2.27 0.00 0.00 179.45 179.52 2q4r h LEU 35 N -0.21 0.94 -1.04 5.20 5.85 0.17 -1.78 115.31 124.44 2q4r h LEU 35 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2q4r h LEU 35 Cb 0.55 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2q4r h LEU 35 CO 0.02 0.66 0.08 -1.14 -0.34 0.00 0.00 178.44 177.71 2q4r n ARG 36 N -4.53 0.10 -0.20 1.25 0.63 0.15 -2.12 116.66 111.94 2q4r n ARG 36 Ca 0.10 0.59 -0.02 0.00 -0.92 0.00 0.00 57.85 57.60 2q4r n ARG 36 Cb 0.06 -1.91 0.19 0.00 0.45 0.00 0.00 32.46 31.25 2q4r n ARG 36 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2q4r h GLN 37 N 0.00 0.97 -0.01 -0.14 1.08 -1.32 -3.24 115.11 112.45 2q4r h GLN 37 Ca 0.00 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2q4r h GLN 37 Cb 0.15 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2q4r h GLN 37 CO 0.00 0.75 -0.12 0.36 -0.95 0.00 0.00 178.83 178.87 2q4r n LYS 38 N -4.34 1.66 -3.75 1.46 0.00 -0.90 -5.01 118.16 107.28 2q4r n LYS 38 Ca 0.06 -0.67 -0.13 0.00 -0.00 0.00 0.00 58.31 57.58 2q4r n LYS 38 Cb 0.13 -1.06 -0.10 0.00 -0.00 0.00 0.00 35.03 34.00 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 -1.06 0.00 0.62 0.58 2.07 -1.15 -4.94 121.20 117.33 2q4r s ILE 39 Ca 0.08 -0.04 -0.17 0.00 -1.41 0.00 0.00 60.65 59.11 2q4r s ILE 39 Cb 0.07 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.13 2q4r s ILE 39 CO 0.18 -0.02 1.12 -0.54 -1.91 0.00 0.00 174.94 173.77 2q4r s LYS 40 N 0.07 2.98 0.09 3.50 -0.14 -1.14 -3.99 119.74 121.11 2q4r s LYS 40 Ca -0.01 1.49 0.02 0.00 -1.36 0.00 0.00 55.97 56.11 2q4r s LYS 40 Cb -0.03 -1.97 -0.04 0.00 -1.68 0.00 0.00 37.83 34.12 2q4r s LYS 40 CO 0.01 -1.12 -0.07 0.96 -0.76 0.00 0.00 175.35 174.37 2q4r s ILE 41 N -2.10 0.67 0.21 2.17 -4.36 -1.26 -1.21 121.20 115.32 2q4r s ILE 41 Ca 0.70 -1.78 -0.20 0.00 -0.26 0.00 0.00 60.65 59.11 2q4r s ILE 41 Cb -0.22 -1.49 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2q4r s ILE 41 CO 0.36 -0.78 0.60 -0.83 0.24 0.00 0.00 174.94 174.52 2q4r s GLY 42 N -2.78 -0.20 0.04 6.27 0.00 -1.01 -0.47 107.32 109.17 2q4r s GLY 42 Ca 0.08 -0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.74 2q4r s GLY 42 CO -0.04 -0.12 -0.09 -1.34 0.00 0.00 0.00 173.10 171.51 2q4r s VAL 43 N -3.86 0.69 0.02 1.40 -7.23 -0.12 -1.02 120.40 110.28 2q4r s VAL 43 Ca 0.08 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2q4r s VAL 43 Cb -0.02 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 2q4r s VAL 43 CO -0.02 -0.26 -0.03 0.54 -0.31 0.00 0.00 175.10 175.01 2q4r s VAL 44 N -1.18 0.12 0.08 1.32 0.11 -0.89 0.19 120.40 120.14 2q4r s VAL 44 Ca -0.06 -0.85 -0.26 0.00 -2.93 0.00 0.00 61.98 57.88 2q4r s VAL 44 Cb -0.09 -0.25 0.08 0.00 -1.53 0.00 0.00 36.38 34.59 2q4r s VAL 44 CO 0.01 -0.46 0.82 -0.83 -3.33 0.00 0.00 175.10 171.31 2q4r s GLY 45 N -1.35 -0.44 0.16 6.54 0.00 0.15 -2.85 107.32 109.52 2q4r s GLY 45 Ca -0.15 0.67 0.26 0.00 0.00 0.00 0.00 44.72 45.51 2q4r s GLY 45 CO -0.01 0.22 1.70 0.61 0.00 0.00 0.00 173.10 175.62 2q4r n GLY 46 N -0.33 -1.61 3.95 0.20 0.00 -1.26 0.22 105.19 106.36 2q4r n GLY 46 Ca -0.10 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.21 4.81 0.87 1.61 0.01 -1.26 -4.01 113.70 111.53 2q4r s SER 47 Ca 0.10 0.27 -0.12 0.00 1.31 0.00 0.00 55.95 57.51 2q4r s SER 47 Cb 0.14 -0.93 0.12 0.00 0.21 0.00 0.00 66.02 65.56 2q4r s SER 47 CO 0.61 -1.56 1.15 1.51 0.41 0.00 0.00 173.24 175.36 2q4r s ASP 48 N -4.53 3.86 0.19 2.44 1.47 -1.26 0.47 116.67 119.31 2q4r s ASP 48 Ca 0.61 0.93 -0.12 0.00 1.18 0.00 0.00 52.55 55.15 2q4r s ASP 48 Cb -0.10 -1.49 0.18 0.00 -0.34 0.00 0.00 42.92 41.18 2q4r s ASP 48 CO 0.43 -2.33 1.78 0.15 0.68 0.00 0.00 175.17 175.89 2q4r h PHE 49 N -1.34 0.51 -0.95 2.11 3.57 -1.98 -2.39 116.94 116.47 2q4r h PHE 49 Ca -0.49 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.18 2q4r h PHE 49 Cb 1.33 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.84 2q4r h PHE 49 CO 0.31 0.23 0.60 1.05 -2.23 0.00 0.00 178.31 178.27 2q4r h GLU 50 N 0.53 0.79 -0.44 1.11 4.11 -2.00 0.06 114.58 118.73 2q4r h GLU 50 Ca 0.25 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.51 2q4r h GLU 50 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2q4r h GLU 50 CO -0.18 0.52 -0.21 -0.22 0.07 0.00 0.00 179.01 178.99 2q4r h LYS 51 N 0.81 0.88 -0.53 1.06 1.63 -1.81 -2.77 116.57 115.84 2q4r h LYS 51 Ca 0.49 -0.36 -0.11 0.00 -0.85 0.00 0.00 60.65 59.82 2q4r h LYS 51 Cb 0.68 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 2q4r h LYS 51 CO -0.25 1.01 -0.11 0.28 -3.45 0.00 0.00 179.45 176.92 2q4r h VAL 52 N 0.77 1.27 -0.88 2.00 2.07 -0.82 -2.79 116.25 117.87 2q4r h VAL 52 Ca 0.11 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.41 2q4r h VAL 52 Cb 0.75 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2q4r h VAL 52 CO 0.06 0.44 0.56 1.56 0.02 0.00 0.00 177.57 180.22 2q4r h GLN 53 N 0.89 1.03 -0.81 1.57 4.20 -0.99 0.98 115.11 121.98 2q4r h GLN 53 Ca 0.14 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.82 2q4r h GLN 53 Cb 0.67 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2q4r h GLN 53 CO 0.05 0.68 0.52 0.93 -0.67 0.00 0.00 178.83 180.34 2q4r h GLU 54 N 1.06 0.99 0.14 1.46 5.08 -1.23 1.10 114.58 123.18 2q4r h GLU 54 Ca 0.37 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.41 2q4r h GLU 54 Cb 0.08 -0.22 0.03 0.00 0.50 0.00 0.00 28.75 29.14 2q4r h GLU 54 CO -0.14 0.65 -1.10 1.96 -1.00 0.00 0.00 179.01 179.38 2q4r h GLN 55 N 1.02 0.50 -0.01 2.33 4.20 -1.17 -3.39 115.11 118.58 2q4r h GLN 55 Ca 0.32 -0.72 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2q4r h GLN 55 Cb -0.00 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2q4r h GLN 55 CO -0.11 1.32 -0.10 1.28 -0.67 0.00 0.00 178.83 180.56 2q4r n LEU 56 N -3.92 1.92 0.00 1.46 4.77 0.27 0.30 117.00 121.79 2q4r n LEU 56 Ca -0.14 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 2q4r n LEU 56 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2q4r n LEU 56 CO 0.55 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2q4r n GLY 57 N 0.88 2.62 0.23 -0.72 0.00 0.38 -4.61 105.19 103.98 2q4r n GLY 57 Ca 0.07 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.54 1.61 2.35 -1.92 -3.02 115.58 114.05 2q4r h ASN 58 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2q4r h ASN 58 Cb 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 2q4r h ASN 58 CO 0.00 0.10 0.17 -0.90 -1.65 0.00 0.00 177.43 175.15 2q4r n ASP 59 N -3.16 4.17 -0.32 5.81 5.75 -1.26 -4.68 116.55 122.86 2q4r n ASP 59 Ca 0.02 -2.87 0.08 0.00 -0.01 0.00 0.00 54.79 52.01 2q4r n ASP 59 Cb 0.47 -0.68 0.18 0.00 -1.03 0.00 0.00 41.12 40.07 2q4r n ASP 59 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2q4r h VAL 60 N 2.16 0.11 0.00 2.12 3.04 -1.78 0.20 116.25 122.10 2q4r h VAL 60 Ca 0.17 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 2q4r h VAL 60 Cb 1.88 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2q4r h VAL 60 CO 0.53 0.00 0.03 -0.37 -1.01 0.00 0.00 177.57 176.75 2q4r h VAL 61 N 0.02 0.00 0.00 1.51 -1.51 -1.86 -1.68 116.25 112.73 2q4r h VAL 61 Ca 0.49 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.81 2q4r h VAL 61 Cb 0.86 0.74 -0.03 0.00 -2.13 0.00 0.00 31.29 30.73 2q4r h VAL 61 CO -0.89 0.00 -1.44 -0.62 -1.23 0.00 0.00 177.57 173.39 2q4r n GLU 62 N -2.70 0.62 0.15 5.19 1.02 0.70 -4.17 120.64 121.47 2q4r n GLU 62 Ca -0.02 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 2q4r n GLU 62 Cb 0.08 -1.78 0.07 0.00 -0.02 0.00 0.00 31.44 29.79 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 -5.81 3.49 1.79 -1.24 -3.46 116.57 111.34 2q4r h LYS 63 Ca -0.15 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.81 2q4r h LYS 63 Cb 1.52 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.94 2q4r h LYS 63 CO 0.04 0.02 -0.81 0.71 -1.08 0.00 0.00 179.45 178.33 2q4r s TYR 64 N -3.28 1.56 0.15 -1.35 2.02 -1.07 -4.84 117.35 110.54 2q4r s TYR 64 Ca 0.03 -0.41 0.13 0.00 -0.37 0.00 0.00 57.07 56.45 2q4r s TYR 64 Cb 0.07 -0.89 0.34 0.00 -0.40 0.00 0.00 41.96 41.09 2q4r s TYR 64 CO 0.74 0.12 1.58 -0.44 -1.57 0.00 0.00 175.55 175.98 2q4r h ASP 65 N 4.42 0.00 -4.24 2.29 3.32 -1.07 -3.45 116.42 117.69 2q4r h ASP 65 Ca -0.43 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.29 2q4r h ASP 65 Cb 1.18 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.47 2q4r h ASP 65 CO 0.41 0.58 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.44 2q4r s TYR 66 N -3.37 0.68 -0.04 4.55 2.02 -0.63 -3.20 117.35 117.35 2q4r s TYR 66 Ca 0.00 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 2q4r s TYR 66 Cb 0.11 -0.42 0.03 0.00 -0.40 0.00 0.00 41.96 41.28 2q4r s TYR 66 CO 0.74 -0.03 0.07 0.08 -1.57 0.00 0.00 175.55 174.84 2q4r s VAL 67 N -0.62 -0.12 -0.43 0.71 1.01 -1.19 -0.94 120.40 118.82 2q4r s VAL 67 Ca -0.02 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2q4r s VAL 67 Cb -0.05 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.30 2q4r s VAL 67 CO 0.00 0.16 0.23 -0.36 0.00 0.00 0.00 175.10 175.13 2q4r s PHE 68 N 1.98 2.03 0.62 5.22 0.08 0.51 -3.02 117.98 125.40 2q4r s PHE 68 Ca 0.02 -2.42 -0.12 0.00 0.12 0.00 0.00 56.93 54.53 2q4r s PHE 68 Cb -0.12 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2q4r s PHE 68 CO -0.03 -0.79 1.03 -2.14 -0.10 0.00 0.00 175.22 173.19 2q4r s PRO 69 N 0.41 3.54 -1.38 0.24 0.02 -1.23 -0.68 135.00 135.91 2q4r s PRO 69 Ca 0.17 0.81 -0.01 0.00 0.02 0.00 0.00 61.00 61.99 2q4r s PRO 69 Cb -0.24 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.21 2q4r s PRO 69 CO -0.01 -0.62 0.54 0.39 -0.33 0.00 0.00 177.00 176.98 2q4r n GLU 70 N -2.68 -3.92 -2.17 5.54 1.02 0.18 -1.32 120.64 117.29 2q4r n GLU 70 Ca 0.06 0.48 -0.13 0.00 -0.02 0.00 0.00 57.16 57.56 2q4r n GLU 70 Cb 0.54 -4.80 -0.02 0.00 -0.02 0.00 0.00 31.44 27.14 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 -3.00 -3.93 0.00 1.62 3.02 0.59 -1.10 115.26 112.47 2q4r n ASN 71 Ca -0.29 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2q4r n ASN 71 Cb 0.67 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 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 -0.68 0.99 0.33 7.41 0.00 -0.43 -2.80 105.19 110.01 2q4r n GLY 72 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.57 -8.97 0.99 3.38 -1.16 -3.32 115.31 106.81 2q4r h LEU 73 Ca 0.00 -0.01 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2q4r h LEU 73 Cb 0.00 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 40.44 2q4r h LEU 73 CO 0.00 0.40 -0.56 -0.69 0.09 0.00 0.00 178.44 177.68 2q4r s VAL 74 N -5.59 4.90 -0.01 1.22 1.01 -1.22 0.69 120.40 121.40 2q4r s VAL 74 Ca -0.09 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2q4r s VAL 74 Cb 0.18 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2q4r s VAL 74 CO 0.75 0.38 -0.13 0.00 0.00 0.00 0.00 175.10 176.10 2q4r s ALA 75 N 0.99 1.11 -0.04 5.51 0.00 0.33 -3.57 121.76 126.09 2q4r s ALA 75 Ca 0.05 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.45 2q4r s ALA 75 Cb -0.14 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2q4r s ALA 75 CO 0.03 0.27 -0.06 0.71 0.00 0.00 0.00 175.76 176.71 2q4r s TYR 76 N -0.30 0.88 -0.05 0.00 2.02 -1.17 0.10 117.35 118.84 2q4r s TYR 76 Ca 0.05 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 2q4r s TYR 76 Cb -0.05 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.78 2q4r s TYR 76 CO -0.00 -0.19 -0.16 0.21 -1.57 0.00 0.00 175.55 173.84 2q4r s LYS 77 N 0.76 1.71 -1.56 -0.62 2.20 0.11 -3.17 119.74 119.16 2q4r s LYS 77 Ca -0.11 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 2q4r s LYS 77 Cb -0.14 -1.47 0.02 0.00 -1.51 0.00 0.00 37.83 34.73 2q4r s LYS 77 CO 0.01 0.20 0.10 -0.25 -0.36 0.00 0.00 175.35 175.05 2q4r n ASP 78 N 3.26 0.56 0.00 1.43 10.43 -1.19 0.63 116.55 131.66 2q4r n ASP 78 Ca -0.19 -1.25 0.00 0.00 2.57 0.00 0.00 54.79 55.93 2q4r n ASP 78 Cb 0.53 -1.76 0.00 0.00 1.84 0.00 0.00 41.12 41.73 2q4r n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2q4r n GLY 79 N -2.39 2.14 3.77 0.44 0.00 -1.26 -4.95 105.19 102.93 2q4r n GLY 79 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 4.00 0.27 1.61 2.20 0.20 -5.04 119.74 122.98 2q4r s LYS 80 Ca 0.00 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 2q4r s LYS 80 Cb 0.00 -3.35 -0.13 0.00 -1.51 0.00 0.00 37.83 32.83 2q4r s LYS 80 CO 0.00 0.43 1.26 -0.11 -0.36 0.00 0.00 175.35 176.57 2q4r n LEU 81 N 3.07 2.76 -0.04 5.43 0.00 -1.26 0.04 117.00 127.00 2q4r n LEU 81 Ca -0.16 1.17 -0.05 0.00 0.00 0.00 0.00 56.01 56.97 2q4r n LEU 81 Cb 0.53 -1.39 -0.02 0.00 0.00 0.00 0.00 43.42 42.54 2q4r n LEU 81 CO 0.36 -0.78 -0.37 -0.11 0.00 0.00 0.00 177.39 176.48 2q4r n LEU 82 N 1.54 1.33 -4.04 -1.96 7.94 0.28 -4.73 117.00 117.36 2q4r n LEU 82 Ca 0.10 0.21 -0.09 0.00 -1.11 0.00 0.00 56.01 55.12 2q4r n LEU 82 Cb 0.32 -0.56 -0.11 0.00 0.53 0.00 0.00 43.42 43.60 2q4r n LEU 82 CO 0.62 -0.44 -0.36 0.00 -1.11 0.00 0.00 177.39 176.10 2q4r n ARG 84 N 0.96 1.17 -3.10 0.00 1.74 -1.24 0.12 116.66 116.31 2q4r n ARG 84 Ca -0.20 -3.59 -0.39 0.00 -0.77 0.00 0.00 57.85 52.91 2q4r n ARG 84 Cb 0.57 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 2q4r n ARG 84 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2q4r s GLN 85 N -1.50 4.39 0.06 5.56 2.00 0.22 -4.97 119.66 125.41 2q4r s GLN 85 Ca 0.36 0.96 0.00 0.00 -2.00 0.00 0.00 55.36 54.69 2q4r s GLN 85 Cb 0.16 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 2q4r s GLN 85 CO -0.09 0.56 -0.04 0.54 -0.50 0.00 0.00 175.29 175.76 2q4r s ASN 86 N -1.23 0.65 0.30 6.67 2.20 -1.26 -4.44 114.94 117.83 2q4r s ASN 86 Ca 0.35 -0.88 0.04 0.00 -0.94 0.00 0.00 52.86 51.43 2q4r s ASN 86 Cb -0.21 0.14 0.67 0.00 -2.00 0.00 0.00 41.25 39.85 2q4r s ASN 86 CO 0.23 -0.48 1.81 -0.29 -2.94 0.00 0.00 177.10 175.43 2q4r h ILE 87 N 3.47 0.81 -0.63 0.54 2.10 0.26 -1.18 117.51 122.89 2q4r h ILE 87 Ca -0.34 -0.30 -0.05 0.00 1.08 0.00 0.00 64.86 65.25 2q4r h ILE 87 Cb 1.16 -0.13 -0.03 0.00 -1.09 0.00 0.00 36.82 36.74 2q4r h ILE 87 CO 0.59 0.16 0.17 0.06 -1.08 0.00 0.00 178.15 178.05 2q4r h GLN 88 N 0.86 0.96 0.49 2.19 -0.00 -1.90 -0.50 115.11 117.22 2q4r h GLN 88 Ca 0.53 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.96 2q4r h GLN 88 Cb 0.71 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.05 2q4r h GLN 88 CO -0.32 0.84 -0.24 0.77 -0.00 0.00 0.00 178.83 179.89 2q4r h SER 89 N 0.93 -0.56 0.50 0.06 0.02 -1.61 0.84 113.55 113.72 2q4r h SER 89 Ca 0.20 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2q4r h SER 89 Cb 0.30 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2q4r h SER 89 CO -0.00 -0.20 -0.24 -0.74 -1.14 0.00 0.00 176.83 174.51 2q4r h HIS 90 N -0.99 -0.62 0.00 3.45 -0.00 -1.38 -3.16 115.15 112.45 2q4r h HIS 90 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 2q4r h HIS 90 Cb 0.60 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2q4r h HIS 90 CO 0.01 -0.37 0.00 -0.07 -0.00 0.00 0.00 177.93 177.50 2q4r h LEU 91 N -0.71 0.00 -0.20 0.26 3.38 -1.22 -3.50 115.31 113.33 2q4r h LEU 91 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2q4r h LEU 91 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2q4r h LEU 91 CO 0.11 0.00 -0.17 0.61 0.09 0.00 0.00 178.44 179.09 2q4r n GLY 92 N 0.90 -3.45 0.00 0.83 0.00 0.29 -4.32 105.19 99.44 2q4r n GLY 92 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2q4r n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2q4r n GLU 93 N -0.67 0.00 -0.61 1.61 -0.58 -1.22 -0.74 120.64 118.44 2q4r n GLU 93 Ca 0.00 0.55 0.48 0.00 -0.42 0.00 0.00 57.16 57.76 2q4r n GLU 93 Cb 0.00 -0.93 0.77 0.00 -0.57 0.00 0.00 31.44 30.71 2q4r n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q4r h ALA 94 N -1.17 3.48 -0.15 0.62 0.00 -1.95 1.83 119.26 121.92 2q4r h ALA 94 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2q4r h ALA 94 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2q4r h ALA 94 CO 0.00 -2.07 -0.71 1.25 0.00 0.00 0.00 179.25 177.73 2q4r h LEU 95 N 0.01 0.88 -0.29 0.00 5.85 -1.12 -2.00 115.31 118.64 2q4r h LEU 95 Ca 0.89 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2q4r h LEU 95 Cb 3.35 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 44.10 2q4r h LEU 95 CO -0.15 1.36 0.17 0.40 -0.34 0.00 0.00 178.44 179.88 2q4r h ILE 96 N 0.45 1.11 0.00 4.05 1.08 0.35 -2.54 117.51 122.00 2q4r h ILE 96 Ca -0.05 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 2q4r h ILE 96 Cb 1.34 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 2q4r h ILE 96 CO 0.15 0.11 -0.21 1.56 -0.69 0.00 0.00 178.15 179.07 2q4r h GLN 97 N 0.36 0.00 -0.43 2.37 4.20 -0.98 -0.56 115.11 120.07 2q4r h GLN 97 Ca 0.10 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.66 2q4r h GLN 97 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2q4r h GLN 97 CO -0.02 0.21 -0.31 -0.44 -0.67 0.00 0.00 178.83 177.60 2q4r h ASP 98 N 0.00 1.02 0.01 1.46 5.19 -0.96 0.30 116.42 123.45 2q4r h ASP 98 Ca -0.00 -0.43 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2q4r h ASP 98 Cb 0.45 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.67 2q4r h ASP 98 CO 0.03 1.24 -0.01 -0.07 -3.12 0.00 0.00 179.24 177.31 2q4r h LEU 99 N 0.82 -0.02 0.64 1.55 3.38 -1.12 -2.50 115.31 118.06 2q4r h LEU 99 Ca 0.08 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2q4r h LEU 99 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2q4r h LEU 99 CO 0.08 0.43 -0.40 0.40 0.09 0.00 0.00 178.44 179.05 2q4r h ILE 100 N -0.47 0.20 -0.95 1.22 2.04 -1.11 -0.14 117.51 118.30 2q4r h ILE 100 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2q4r h ILE 100 Cb 0.45 0.20 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 2q4r h ILE 100 CO 0.00 0.00 -0.55 0.59 0.00 0.00 0.00 178.15 178.19 2q4r n ASN 101 N -5.53 -0.99 0.14 1.72 4.13 0.10 -0.76 115.26 114.07 2q4r n ASN 101 Ca -0.13 1.68 -0.14 0.00 1.68 0.00 0.00 54.58 57.68 2q4r n ASN 101 Cb 0.42 -0.22 -0.08 0.00 -1.54 0.00 0.00 39.78 38.36 2q4r n ASN 101 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2q4r h TYR 102 N 0.00 -0.25 -0.51 3.10 3.20 -1.30 -3.00 116.97 118.20 2q4r h TYR 102 Ca 0.16 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2q4r h TYR 102 Cb 0.39 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2q4r h TYR 102 CO -0.97 -0.15 0.34 0.00 -1.64 0.00 0.00 178.16 175.74 2q4r h LEU 104 N 0.62 -0.04 -0.85 0.00 3.38 -0.87 -1.34 115.31 116.20 2q4r h LEU 104 Ca 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2q4r h LEU 104 Cb 0.04 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2q4r h LEU 104 CO -0.05 0.19 0.00 0.28 0.09 0.00 0.00 178.44 178.95 2q4r h SER 105 N -0.26 0.00 0.10 -0.43 0.02 -1.36 -2.76 113.55 108.85 2q4r h SER 105 Ca -0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.73 2q4r h SER 105 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2q4r h SER 105 CO 0.01 0.00 -1.06 0.22 -1.14 0.00 0.00 176.83 174.85 2q4r h TYR 106 N 0.00 0.37 -0.39 3.45 -0.00 -1.08 -3.32 116.97 116.01 2q4r h TYR 106 Ca 0.00 -0.27 -0.04 0.00 -0.00 0.00 0.00 58.73 58.42 2q4r h TYR 106 Cb 0.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 36.73 37.06 2q4r h TYR 106 CO 0.00 1.41 0.07 0.82 -0.00 0.00 0.00 178.16 180.46 2q4r h ILE 107 N -0.48 1.19 0.00 1.81 2.04 -1.09 -2.03 117.51 118.95 2q4r h ILE 107 Ca -0.23 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 2q4r h ILE 107 Cb 1.59 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2q4r h ILE 107 CO 0.05 0.25 -0.19 0.00 0.00 0.00 0.00 178.15 178.26 2q4r h ALA 108 N 1.51 1.45 -0.80 1.87 0.00 -1.64 -3.01 119.26 118.65 2q4r h ALA 108 Ca 0.13 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 2q4r h ALA 108 Cb 0.26 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 17.79 2q4r h ALA 108 CO 0.00 0.24 0.81 1.63 0.00 0.00 0.00 179.25 181.93 2q4r n LYS 109 N -3.97 2.71 -3.35 0.00 5.02 -0.76 -4.76 118.16 113.05 2q4r n LYS 109 Ca -0.02 -3.05 -0.15 0.00 -2.02 0.00 0.00 58.31 53.07 2q4r n LYS 109 Cb 0.27 -2.23 -0.07 0.00 -0.02 0.00 0.00 35.03 32.98 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 -3.79 -0.43 0.28 -0.18 1.01 -1.14 -5.02 121.20 111.93 2q4r s ILE 110 Ca 0.55 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 2q4r s ILE 110 Cb 0.40 -0.72 -0.11 0.00 0.01 0.00 0.00 42.46 42.04 2q4r s ILE 110 CO -0.32 -0.49 1.54 -0.54 0.00 0.00 0.00 174.94 175.12 2q4r s LYS 111 N 1.76 4.17 0.19 2.79 -0.14 -1.26 -5.00 119.74 122.25 2q4r s LYS 111 Ca 0.15 2.49 -0.05 0.00 -1.36 0.00 0.00 55.97 57.19 2q4r s LYS 111 Cb -0.14 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 32.94 2q4r s LYS 111 CO -0.12 -0.55 0.22 -0.51 -0.76 0.00 0.00 175.35 173.63 2q4r s LEU 112 N -0.58 1.05 0.55 3.17 1.43 -1.26 -5.04 118.68 118.01 2q4r s LEU 112 Ca 0.61 -1.13 0.35 0.00 -1.03 0.00 0.00 54.13 52.93 2q4r s LEU 112 Cb -0.46 0.84 1.51 0.00 0.03 0.00 0.00 46.19 48.12 2q4r s LEU 112 CO 0.47 -0.89 2.03 1.55 0.23 0.00 0.00 176.35 179.74 2q4r h PRO 113 N 2.57 0.00 -2.35 1.29 0.13 -1.95 -3.45 132.00 128.25 2q4r h PRO 113 Ca -0.33 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2q4r h PRO 113 Cb 1.23 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 2q4r h PRO 113 CO 0.49 0.00 0.32 0.15 -0.23 0.00 0.00 178.00 178.74 2q4r s LYS 114 N -3.72 1.01 -0.16 0.86 1.02 -1.26 -5.14 119.74 112.35 2q4r s LYS 114 Ca 0.00 -0.14 -0.14 0.00 0.02 0.00 0.00 55.97 55.71 2q4r s LYS 114 Cb 0.10 0.47 0.04 0.00 -0.52 0.00 0.00 37.83 37.92 2q4r s LYS 114 CO 0.51 -0.39 0.41 0.15 -0.92 0.00 0.00 175.35 175.11 2q4r s LYS 115 N -2.53 0.47 0.00 1.68 1.02 -1.26 -4.67 119.74 114.45 2q4r s LYS 115 Ca -0.02 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.57 2q4r s LYS 115 Cb -0.01 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 2q4r s LYS 115 CO -0.04 -0.07 0.00 0.54 -0.92 0.00 0.00 175.35 174.87 2q4r n ARG 116 N 2.99 0.00 -3.80 1.68 5.12 0.09 -5.04 116.66 117.70 2q4r n ARG 116 Ca -0.14 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.69 2q4r n ARG 116 Cb 0.57 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.83 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 -0.03 0.04 -0.57 -0.13 0.00 -1.26 -4.96 107.32 100.41 2q4r s GLY 117 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 2q4r s GLY 117 CO 0.00 -0.35 0.49 2.41 0.00 0.00 0.00 173.10 175.65 2q4r n THR 118 N -0.34 -5.03 0.34 0.90 -1.04 -1.26 -2.03 114.28 105.81 2q4r n THR 118 Ca -0.08 -0.65 0.13 0.00 -2.04 0.00 0.00 64.05 61.40 2q4r n THR 118 Cb 0.62 -4.72 0.29 0.00 -1.82 0.00 0.00 70.33 64.70 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 -0.63 0.00 -3.08 -1.42 0.04 -1.92 -1.80 116.94 108.12 2q4r h PHE 119 Ca -0.32 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.12 2q4r h PHE 119 Cb 1.17 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.95 2q4r h PHE 119 CO 0.17 0.00 -0.67 0.42 -0.60 0.00 0.00 178.31 177.63 2q4r s ILE 120 N -3.23 -0.21 -0.22 -0.55 1.01 -1.26 -1.44 121.20 115.29 2q4r s ILE 120 Ca 0.07 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 2q4r s ILE 120 Cb 0.07 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 2q4r s ILE 120 CO 0.63 0.08 -0.03 -0.70 0.00 0.00 0.00 174.94 174.92 2q4r s GLU 121 N 2.25 3.42 -0.15 2.79 2.12 0.38 -4.98 118.70 124.54 2q4r s GLU 121 Ca 0.04 -0.60 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 2q4r s GLU 121 Cb -0.13 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 2q4r s GLU 121 CO -0.06 -0.17 0.67 0.12 -0.54 0.00 0.00 175.26 175.27 2q4r s PHE 122 N 1.44 3.44 0.16 5.30 5.36 -1.26 -0.86 117.98 131.56 2q4r s PHE 122 Ca 0.05 1.06 0.09 0.00 -0.96 0.00 0.00 56.93 57.17 2q4r s PHE 122 Cb -0.14 -2.82 -0.04 0.00 -0.34 0.00 0.00 43.02 39.68 2q4r s PHE 122 CO -0.02 -0.10 -0.20 1.03 -1.46 0.00 0.00 175.22 174.48 2q4r s ARG 123 N 1.58 1.31 0.54 10.12 0.52 -1.26 -5.00 118.95 126.76 2q4r s ARG 123 Ca 0.32 -1.40 0.25 0.00 -0.52 0.00 0.00 55.73 54.38 2q4r s ARG 123 Cb -0.16 -1.46 1.43 0.00 0.52 0.00 0.00 34.95 35.28 2q4r s ARG 123 CO 0.12 0.31 2.02 -0.91 0.02 0.00 0.00 175.30 176.86 2q4r h ASN 124 N 3.34 0.00 -0.21 0.23 2.35 -1.97 -3.42 115.58 115.91 2q4r h ASN 124 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2q4r h ASN 124 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2q4r h ASN 124 CO 0.49 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.88 2q4r n GLY 125 N -1.59 1.36 3.19 2.83 0.00 -1.26 0.23 105.19 109.96 2q4r n GLY 125 Ca 0.07 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.99 3.71 -0.30 0.99 1.43 0.16 -4.51 118.68 119.17 2q4r s LEU 127 Ca 0.20 -1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 51.99 2q4r s LEU 127 Cb 0.11 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2q4r s LEU 127 CO 0.16 -0.22 0.56 0.21 0.23 0.00 0.00 176.35 177.29 2q4r s ASN 128 N 1.29 6.44 -0.11 2.29 3.84 -0.04 -1.81 114.94 126.84 2q4r s ASN 128 Ca -0.03 0.38 -0.03 0.00 0.21 0.00 0.00 52.86 53.39 2q4r s ASN 128 Cb -0.19 -2.30 -0.03 0.00 -0.55 0.00 0.00 41.25 38.18 2q4r s ASN 128 CO -0.02 -0.40 0.02 -0.69 -2.79 0.00 0.00 177.10 173.22 2q4r s VAL 129 N 2.45 4.44 -0.10 -5.21 1.01 0.12 -0.47 120.40 122.63 2q4r s VAL 129 Ca 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 2q4r s VAL 129 Cb -0.15 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.38 2q4r s VAL 129 CO 0.11 0.57 0.10 -0.55 0.00 0.00 0.00 175.10 175.33 2q4r s SER 130 N -0.58 1.48 0.39 3.32 0.15 -0.52 -0.42 113.70 117.52 2q4r s SER 130 Ca 0.10 -0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.70 2q4r s SER 130 Cb -0.12 -0.07 0.82 0.00 -1.71 0.00 0.00 66.02 64.95 2q4r s SER 130 CO 0.02 -0.29 2.02 -0.65 1.20 0.00 0.00 173.24 175.54 2q4r h PRO 131 N 8.41 0.61 0.12 5.44 0.11 -1.84 -2.88 132.00 141.96 2q4r h PRO 131 Ca -0.14 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.63 2q4r h PRO 131 Cb 1.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2q4r h PRO 131 CO 0.20 0.40 -1.55 0.97 -0.21 0.00 0.00 178.00 177.82 2q4r h ILE 132 N 0.63 1.13 0.00 4.15 2.10 -1.83 -3.47 117.51 120.21 2q4r h ILE 132 Ca 0.21 -2.78 0.00 0.00 1.08 0.00 0.00 64.86 63.38 2q4r h ILE 132 Cb 0.08 2.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.56 2q4r h ILE 132 CO -0.06 0.81 0.00 0.61 -1.08 0.00 0.00 178.15 178.44 2q4r n GLY 133 N 1.67 3.04 0.03 8.18 0.00 -1.09 -0.73 105.19 116.29 2q4r n GLY 133 Ca -0.17 -1.27 0.04 0.00 0.00 0.00 0.00 46.02 44.61 2q4r n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4r n ARG 134 N 1.05 0.03 -0.03 1.61 1.74 -0.68 -1.98 116.66 118.39 2q4r n ARG 134 Ca 0.00 0.45 0.13 0.00 -0.77 0.00 0.00 57.85 57.66 2q4r n ARG 134 Cb 0.00 -1.57 0.41 0.00 -1.02 0.00 0.00 32.46 30.28 2q4r n ARG 134 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2q4r n SER 135 N -1.62 1.86 -4.70 0.55 3.41 -0.88 -4.93 113.62 107.30 2q4r n SER 135 Ca 0.01 -1.65 -0.33 0.00 -0.26 0.00 0.00 58.87 56.64 2q4r n SER 135 Cb 0.06 -0.04 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.22 4.30 0.29 0.00 1.04 -1.26 -4.79 113.70 111.06 2q4r s SER 137 Ca 0.72 1.09 -0.01 0.00 0.48 0.00 0.00 55.95 58.24 2q4r s SER 137 Cb -0.28 -1.75 0.48 0.00 0.10 0.00 0.00 66.02 64.57 2q4r s SER 137 CO 0.50 -2.07 1.90 -0.61 0.98 0.00 0.00 173.24 173.94 2q4r h GLN 138 N -1.16 1.06 -0.29 4.02 -0.00 -1.99 0.12 115.11 116.86 2q4r h GLN 138 Ca -0.48 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.65 58.01 2q4r h GLN 138 Cb 1.30 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 28.52 2q4r h GLN 138 CO 0.62 0.70 -0.25 0.93 0.00 0.00 0.00 178.83 180.82 2q4r h GLU 139 N 1.09 0.57 -0.43 1.69 3.07 -2.00 -2.12 114.58 116.45 2q4r h GLU 139 Ca 0.40 -0.22 -0.09 0.00 -0.50 0.00 0.00 59.36 58.95 2q4r h GLU 139 Cb 0.18 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2q4r h GLU 139 CO -0.15 0.77 -0.09 0.93 -1.40 0.00 0.00 179.01 179.06 2q4r h GLU 140 N 0.50 0.81 -0.52 2.33 5.08 -1.46 -2.48 114.58 118.84 2q4r h GLU 140 Ca 0.07 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2q4r h GLU 140 Cb 0.70 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2q4r h GLU 140 CO 0.05 0.93 0.30 -0.09 -1.00 0.00 0.00 179.01 179.21 2q4r h ARG 141 N 0.64 0.70 0.56 2.33 2.43 -0.56 -0.66 114.38 119.82 2q4r h ARG 141 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2q4r h ARG 141 Cb 0.62 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2q4r h ARG 141 CO 0.04 0.50 -0.27 0.82 -1.51 0.00 0.00 179.97 179.55 2q4r h ILE 142 N 0.72 0.35 -1.00 1.20 1.08 -1.10 -0.20 117.51 118.56 2q4r h ILE 142 Ca 0.19 -0.32 0.14 0.00 -0.39 0.00 0.00 64.86 64.48 2q4r h ILE 142 Cb -0.01 0.45 -0.09 0.00 -3.07 0.00 0.00 36.82 34.10 2q4r h ILE 142 CO -0.03 0.04 0.62 -0.08 -0.69 0.00 0.00 178.15 178.01 2q4r h GLU 143 N -0.98 0.89 -0.08 2.37 4.81 -1.23 0.36 114.58 120.73 2q4r h GLU 143 Ca -0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2q4r h GLU 143 Cb 0.64 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2q4r h GLU 143 CO 0.13 0.59 -0.01 0.35 -0.73 0.00 0.00 179.01 179.33 2q4r h PHE 144 N 0.92 0.17 -0.64 0.92 3.57 -1.02 -2.72 116.94 118.13 2q4r h PHE 144 Ca 0.52 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 62.02 2q4r h PHE 144 Cb 0.61 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2q4r h PHE 144 CO -0.00 0.45 0.37 -0.92 -2.23 0.00 0.00 178.31 175.97 2q4r h TYR 145 N -0.16 0.69 -0.96 0.41 3.20 -0.01 0.18 116.97 120.33 2q4r h TYR 145 Ca 0.02 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.95 2q4r h TYR 145 Cb 0.39 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 2q4r h TYR 145 CO 0.04 0.36 0.63 1.05 -1.64 0.00 0.00 178.16 178.60 2q4r h GLU 146 N 0.71 1.16 -0.20 1.82 -0.00 -0.95 -1.44 114.58 115.67 2q4r h GLU 146 Ca 0.27 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.36 59.52 2q4r h GLU 146 Cb 0.10 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 28.58 2q4r h GLU 146 CO -0.14 0.77 -0.04 1.25 -0.00 0.00 0.00 179.01 180.85 2q4r h LEU 147 N 1.20 0.39 -1.31 3.06 5.85 -0.94 -2.65 115.31 120.91 2q4r h LEU 147 Ca 0.38 -0.36 0.22 0.00 0.84 0.00 0.00 57.88 58.96 2q4r h LEU 147 Cb 0.02 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.86 2q4r h LEU 147 CO -0.12 0.66 0.63 -0.78 -0.34 0.00 0.00 178.44 178.48 2q4r h ASP 148 N 0.12 0.54 0.12 1.25 3.58 0.30 0.28 116.42 122.61 2q4r h ASP 148 Ca 0.05 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2q4r h ASP 148 Cb 0.48 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2q4r h ASP 148 CO 0.02 0.18 -0.06 0.11 -2.88 0.00 0.00 179.24 176.61 2q4r h LYS 149 N 0.52 -0.16 0.00 0.28 1.57 -1.16 1.11 116.57 118.72 2q4r h LYS 149 Ca 0.54 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2q4r h LYS 149 Cb 1.19 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2q4r h LYS 149 CO -0.28 0.31 0.00 1.17 -0.57 0.00 0.00 179.45 180.09 2q4r n LYS 150 N -4.90 0.71 0.00 3.15 4.81 -0.71 -3.70 118.16 117.51 2q4r n LYS 150 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2q4r n LYS 150 Cb 0.28 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.11 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 -0.71 5.37 -3.17 1.64 -0.58 0.90 -5.05 120.64 119.03 2q4r n GLU 151 Ca 0.07 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 2q4r n GLU 151 Cb 0.03 -0.52 0.07 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.09 -3.15 0.00 1.62 4.13 0.38 -4.94 115.26 113.21 2q4r n ASN 152 Ca 0.00 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.71 2q4r n ASN 152 Cb 0.00 -4.50 0.00 0.00 -1.54 0.00 0.00 39.78 33.74 2q4r n ASN 152 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2q4r n ILE 153 N -3.49 0.00 0.12 2.41 2.08 -1.20 -2.15 119.36 117.13 2q4r n ILE 153 Ca -0.20 1.16 0.14 0.00 0.56 0.00 0.00 62.75 64.41 2q4r n ILE 153 Cb 0.63 -2.11 0.65 0.00 -0.75 0.00 0.00 39.64 38.07 2q4r n ILE 153 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2q4r h ARG 154 N 0.00 0.03 0.45 0.38 3.08 -1.94 -0.42 114.38 115.97 2q4r h ARG 154 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2q4r h ARG 154 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2q4r h ARG 154 CO 0.00 0.02 -0.22 0.37 -1.07 0.00 0.00 179.97 179.07 2q4r h GLN 155 N 0.03 -0.59 -0.09 0.04 4.15 -1.93 -2.50 115.11 114.23 2q4r h GLN 155 Ca 0.13 0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.42 2q4r h GLN 155 Cb 0.48 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2q4r h GLN 155 CO -0.01 -0.32 -0.67 -0.22 -1.93 0.00 0.00 178.83 175.69 2q4r h LYS 156 N -0.77 0.35 -0.17 1.69 3.64 -1.18 -2.62 116.57 117.51 2q4r h LYS 156 Ca -0.06 -0.27 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 2q4r h LYS 156 Cb 0.54 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.34 2q4r h LYS 156 CO 0.10 0.89 -0.46 0.35 -2.27 0.00 0.00 179.45 178.06 2q4r h PHE 157 N 0.25 -1.34 -0.66 1.91 3.04 -1.07 0.16 116.94 119.23 2q4r h PHE 157 Ca -0.02 0.06 0.11 0.00 3.98 0.00 0.00 57.97 62.10 2q4r h PHE 157 Cb 1.21 0.61 -0.04 0.00 2.56 0.00 0.00 35.95 40.29 2q4r h PHE 157 CO 0.04 -0.50 0.44 0.28 -2.02 0.00 0.00 178.31 176.55 2q4r h VAL 158 N -0.50 0.88 -0.30 1.41 2.07 -1.39 -2.13 116.25 116.30 2q4r h VAL 158 Ca 0.07 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2q4r h VAL 158 Cb 0.64 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2q4r h VAL 158 CO -0.44 0.08 -0.17 0.00 0.02 0.00 0.00 177.57 177.06 2q4r h ALA 159 N 1.67 0.05 0.02 1.67 0.00 -0.31 0.24 119.26 122.60 2q4r h ALA 159 Ca 0.31 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2q4r h ALA 159 Cb 0.61 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2q4r h ALA 159 CO -0.09 -0.57 -0.01 -0.44 0.00 0.00 0.00 179.25 178.14 2q4r h ASP 160 N -0.14 -0.02 -0.21 0.00 3.32 -1.01 -2.10 116.42 116.26 2q4r h ASP 160 Ca 0.16 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.13 2q4r h ASP 160 Cb 0.38 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 2q4r h ASP 160 CO -0.38 0.12 -0.34 -0.07 -1.72 0.00 0.00 179.24 176.84 2q4r h LEU 161 N -0.16 -1.09 -1.08 1.55 3.38 -1.19 2.37 115.31 119.10 2q4r h LEU 161 Ca -0.00 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.25 2q4r h LEU 161 Cb 0.15 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2q4r h LEU 161 CO 0.00 -0.36 0.62 -0.09 0.09 0.00 0.00 178.44 178.70 2q4r h ARG 162 N -0.37 0.91 0.06 1.13 2.43 -0.51 0.19 114.38 118.23 2q4r h ARG 162 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2q4r h ARG 162 Cb 0.56 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2q4r h ARG 162 CO -0.42 0.61 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.40 2q4r h LYS 163 N 0.94 -0.08 -0.93 0.20 3.64 -0.38 -3.22 116.57 116.74 2q4r h LYS 163 Ca 0.48 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 60.11 2q4r h LYS 163 Cb 0.50 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 2q4r h LYS 163 CO -0.24 0.17 0.64 1.49 -2.27 0.00 0.00 179.45 179.24 2q4r h GLU 164 N -1.00 0.21 -0.90 1.90 4.57 0.41 -1.89 114.58 117.88 2q4r h GLU 164 Ca -0.01 -0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.55 2q4r h GLU 164 Cb 0.29 -0.05 -0.37 0.00 -0.16 0.00 0.00 28.75 28.47 2q4r h GLU 164 CO 0.01 0.14 -0.06 1.19 -1.18 0.00 0.00 179.01 179.11 2q4r n PHE 165 N -4.41 2.98 -1.62 0.92 3.72 0.66 -5.04 117.46 114.67 2q4r n PHE 165 Ca 0.20 -2.59 -0.33 0.00 -0.05 0.00 0.00 57.45 54.68 2q4r n PHE 165 Cb 0.86 -0.82 0.07 0.00 -0.94 0.00 0.00 39.48 38.64 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 -3.71 2.32 0.00 4.37 0.00 -0.71 -2.58 121.76 121.45 2q4r s ALA 166 Ca 0.57 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2q4r s ALA 166 Cb 0.45 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2q4r s ALA 166 CO 0.00 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.65 2q4r n GLY 167 N -0.20 0.95 0.00 0.00 0.00 -1.26 -4.75 105.19 99.93 2q4r n GLY 167 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.91 0.86 -3.11 1.61 4.76 -1.07 -4.94 118.16 114.37 2q4r n LYS 168 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 2q4r n LYS 168 Cb 0.00 -1.17 0.02 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.49 -0.83 3.42 0.72 0.00 -1.26 -5.04 105.19 102.69 2q4r n GLY 169 Ca 0.07 1.15 -0.14 0.00 0.00 0.00 0.00 46.02 47.10 2q4r n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 170 N -2.45 -0.24 0.15 0.99 1.43 -1.26 -4.33 118.68 112.97 2q4r s LEU 170 Ca 0.28 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2q4r s LEU 170 Cb -0.05 2.26 -0.04 0.00 0.03 0.00 0.00 46.19 48.38 2q4r s LEU 170 CO 0.79 -0.73 0.04 -0.89 0.23 0.00 0.00 176.35 175.79 2q4r s THR 171 N -2.35 4.01 -0.17 5.49 2.01 -0.52 -4.81 115.64 119.30 2q4r s THR 171 Ca -0.06 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.69 2q4r s THR 171 Cb -0.01 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.55 2q4r s THR 171 CO -0.01 -0.06 0.02 -0.36 -0.69 0.00 0.00 174.62 173.52 2q4r s PHE 172 N -1.65 1.00 -0.11 4.92 0.08 -1.26 -2.87 117.98 118.09 2q4r s PHE 172 Ca 0.28 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.62 2q4r s PHE 172 Cb -0.10 -1.00 -0.00 0.00 -0.57 0.00 0.00 43.02 41.35 2q4r s PHE 172 CO 0.20 -0.56 -0.23 0.45 -0.10 0.00 0.00 175.22 174.98 2q4r s SER 173 N 1.86 3.18 -0.15 1.36 0.15 -0.42 -5.00 113.70 114.69 2q4r s SER 173 Ca 0.00 -0.54 -0.09 0.00 0.70 0.00 0.00 55.95 56.01 2q4r s SER 173 Cb -0.16 -1.43 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 2q4r s SER 173 CO -0.07 0.15 0.17 -0.63 1.20 0.00 0.00 173.24 174.06 2q4r s ILE 174 N 0.41 5.42 0.22 6.45 1.01 -1.26 0.38 121.20 133.82 2q4r s ILE 174 Ca -0.17 0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.61 2q4r s ILE 174 Cb -0.17 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.83 2q4r s ILE 174 CO 0.07 0.52 0.49 -0.83 0.00 0.00 0.00 174.94 175.20 2q4r s GLY 175 N -0.31 0.20 0.00 6.18 0.00 -1.20 -4.98 107.32 107.21 2q4r s GLY 175 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2q4r s GLY 175 CO 0.02 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.28 2q4r n GLY 176 N -0.35 0.94 0.00 0.20 0.00 -1.26 -4.08 105.19 100.64 2q4r n GLY 176 Ca -0.06 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 0.93 0.00 1.61 6.02 -1.26 -4.80 117.38 119.88 2q4r n GLN 177 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2q4r n GLN 177 Cb 0.00 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2q4r n GLN 177 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2q4r n ILE 178 N -1.82 0.00 -4.21 5.09 -0.00 -1.26 -4.27 119.36 112.89 2q4r n ILE 178 Ca -0.01 -0.28 -0.15 0.00 -0.00 0.00 0.00 62.75 62.31 2q4r n ILE 178 Cb 0.32 1.02 -0.08 0.00 -0.00 0.00 0.00 39.64 40.91 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 -0.53 0.83 -0.01 7.28 1.04 -1.26 -3.74 113.70 117.31 2q4r s SER 179 Ca 0.00 -1.52 -0.08 0.00 0.48 0.00 0.00 55.95 54.84 2q4r s SER 179 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2q4r s SER 179 CO 0.00 -1.00 0.16 0.72 0.98 0.00 0.00 173.24 174.09 2q4r s PHE 180 N -3.74 -0.00 0.17 5.02 -0.12 0.44 -3.22 117.98 116.52 2q4r s PHE 180 Ca 0.38 -0.04 0.03 0.00 -0.05 0.00 0.00 56.93 57.24 2q4r s PHE 180 Cb 0.04 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 2q4r s PHE 180 CO 0.19 -0.28 0.31 -0.51 -0.05 0.00 0.00 175.22 174.88 2q4r s ASP 181 N -1.23 6.34 -0.11 1.98 1.01 0.16 -0.70 116.67 124.12 2q4r s ASP 181 Ca -0.13 0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.29 2q4r s ASP 181 Cb -0.07 -1.91 0.04 0.00 1.01 0.00 0.00 42.92 41.99 2q4r s ASP 181 CO 0.02 0.02 0.04 -0.69 0.21 0.00 0.00 175.17 174.77 2q4r s VAL 182 N -1.80 0.19 0.12 -1.27 1.01 -0.75 -1.30 120.40 116.62 2q4r s VAL 182 Ca 0.35 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 2q4r s VAL 182 Cb -0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2q4r s VAL 182 CO 0.29 0.03 0.22 0.72 0.00 0.00 0.00 175.10 176.35 2q4r s PHE 183 N 2.03 0.32 0.43 5.22 -0.12 -1.14 -0.66 117.98 124.06 2q4r s PHE 183 Ca 0.03 -0.72 -0.26 0.00 -0.05 0.00 0.00 56.93 55.93 2q4r s PHE 183 Cb -0.14 -0.09 -0.09 0.00 -0.63 0.00 0.00 43.02 42.07 2q4r s PHE 183 CO -0.06 -0.62 1.42 -2.14 -0.05 0.00 0.00 175.22 173.77 2q4r s PRO 184 N -3.92 3.81 0.15 1.99 0.02 -1.26 -1.44 135.00 134.34 2q4r s PRO 184 Ca 0.12 2.40 -0.34 0.00 0.02 0.00 0.00 61.00 63.20 2q4r s PRO 184 Cb 0.04 -2.73 -0.14 0.00 0.02 0.00 0.00 34.50 31.69 2q4r s PRO 184 CO -0.05 -0.71 1.57 -0.25 -0.33 0.00 0.00 177.00 177.23 2q4r n ASP 185 N -0.02 2.99 0.00 2.53 8.00 -1.26 -1.99 116.55 126.79 2q4r n ASP 185 Ca 0.04 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2q4r n ASP 185 Cb 0.42 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 186 N 3.38 0.48 2.63 0.44 0.00 -1.26 -4.98 105.19 105.87 2q4r n GLY 186 Ca 0.17 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.94 3.10 -2.36 1.61 7.02 -0.84 -3.87 117.44 119.15 2q4r n TRP 187 Ca 0.00 -2.65 0.00 0.00 -1.02 0.00 0.00 57.50 53.83 2q4r n TRP 187 Cb 0.04 -1.24 0.00 0.00 -2.42 0.00 0.00 31.31 27.70 2q4r n TRP 187 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2q4r n ASP 188 N -0.70 0.71 0.34 -0.99 5.75 -1.26 -4.92 116.55 115.48 2q4r n ASP 188 Ca 0.57 -0.00 0.22 0.00 -0.01 0.00 0.00 54.79 55.57 2q4r n ASP 188 Cb 0.45 0.00 1.18 0.00 -1.03 0.00 0.00 41.12 41.72 2q4r n ASP 188 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2q4r h LYS 189 N 0.00 0.00 0.00 0.11 1.57 -1.91 -1.75 116.57 114.59 2q4r h LYS 189 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 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 -0.05 0.00 -0.57 0.00 0.00 179.45 178.83 2q4r h ARG 190 N 0.00 0.00 -0.95 3.15 3.08 -1.86 -2.85 114.38 114.95 2q4r h ARG 190 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 2q4r h ARG 190 Cb 0.07 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.03 2q4r h ARG 190 CO -0.00 0.05 0.61 -0.92 -1.07 0.00 0.00 179.97 178.63 2q4r h TYR 191 N 0.00 0.86 -0.08 3.04 3.20 -1.42 -1.53 116.97 121.04 2q4r h TYR 191 Ca -0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2q4r h TYR 191 Cb 0.10 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2q4r h TYR 191 CO 0.00 0.24 -0.30 0.00 -1.64 0.00 0.00 178.16 176.46 2q4r h LEU 193 N 0.13 0.00 0.00 0.00 3.38 -1.44 0.58 115.31 117.96 2q4r h LEU 193 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2q4r h LEU 193 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2q4r h LEU 193 CO 0.04 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.46 2q4r n ARG 194 N -3.76 0.12 0.00 1.13 1.85 -1.14 -1.35 116.66 113.51 2q4r n ARG 194 Ca 0.14 0.21 0.10 0.00 -1.00 0.00 0.00 57.85 57.29 2q4r n ARG 194 Cb 0.90 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.87 2q4r n ARG 194 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2q4r n HIS 195 N -1.36 0.00 0.00 2.89 8.25 0.20 -4.58 115.22 120.62 2q4r n HIS 195 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2q4r n HIS 195 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2q4r n HIS 195 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2q4r n VAL 196 N 0.76 0.00 1.28 1.59 0.24 -0.46 -4.76 118.33 116.98 2q4r n VAL 196 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2q4r n VAL 196 Cb 0.46 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 2q4r n VAL 196 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2q4r n GLU 197 N -1.38 0.64 -0.16 7.34 0.28 -0.80 -3.11 120.64 123.46 2q4r n GLU 197 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2q4r n GLU 197 Cb 0.07 -1.00 0.03 0.00 1.43 0.00 0.00 31.44 31.96 2q4r n GLU 197 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2q4r n ASN 198 N -0.49 0.91 -1.23 -1.84 3.02 -1.26 -4.75 115.26 109.61 2q4r n ASN 198 Ca 0.00 -1.93 0.08 0.00 -0.03 0.00 0.00 54.58 52.70 2q4r n ASN 198 Cb 0.00 -0.15 0.30 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.40 4.28 0.00 6.41 8.00 -1.18 -4.96 116.55 128.70 2q4r n ASP 199 Ca 0.03 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 52.91 2q4r n ASP 199 Cb 0.53 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2q4r n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 200 N 0.40 0.60 3.71 0.44 0.00 -1.26 -5.05 105.19 104.02 2q4r n GLY 200 Ca 0.22 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 3.58 -0.02 1.61 2.02 -1.26 -4.15 117.35 117.13 2q4r s TYR 201 Ca 0.00 1.31 0.12 0.00 -0.37 0.00 0.00 57.07 58.12 2q4r s TYR 201 Cb 0.00 -2.85 -0.22 0.00 -0.40 0.00 0.00 41.96 38.49 2q4r s TYR 201 CO 0.00 0.07 0.77 0.87 -1.57 0.00 0.00 175.55 175.69 2q4r h LYS 202 N 6.78 0.00 -4.07 -0.62 6.56 -1.20 -3.45 116.57 120.57 2q4r h LYS 202 Ca -0.41 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 58.72 2q4r h LYS 202 Cb 1.20 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 32.50 2q4r h LYS 202 CO 0.75 0.56 -0.79 0.99 -2.06 0.00 0.00 179.45 178.91 2q4r s THR 203 N -2.63 0.72 -0.25 -0.16 2.01 -1.18 -4.93 115.64 109.22 2q4r s THR 203 Ca -0.04 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2q4r s THR 203 Cb 0.08 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.87 2q4r s THR 203 CO 0.82 0.30 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.32 2q4r s ILE 204 N 1.41 2.43 0.26 1.82 1.01 -1.26 -2.35 121.20 124.52 2q4r s ILE 204 Ca -0.02 -1.33 -0.09 0.00 0.00 0.00 0.00 60.65 59.21 2q4r s ILE 204 Cb -0.13 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.96 2q4r s ILE 204 CO -0.03 0.12 0.57 -0.31 0.00 0.00 0.00 174.94 175.28 2q4r s TYR 205 N 1.21 3.44 -0.04 3.97 2.02 0.55 -4.05 117.35 124.45 2q4r s TYR 205 Ca -0.04 0.84 0.01 0.00 -0.37 0.00 0.00 57.07 57.51 2q4r s TYR 205 Cb -0.18 -2.24 0.02 0.00 -0.40 0.00 0.00 41.96 39.16 2q4r s TYR 205 CO -0.06 0.22 -0.05 0.12 -1.57 0.00 0.00 175.55 174.21 2q4r s PHE 206 N -1.92 0.76 -0.23 2.71 5.36 -1.26 -0.33 117.98 123.07 2q4r s PHE 206 Ca 0.47 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 2q4r s PHE 206 Cb -0.11 -0.67 0.05 0.00 -0.34 0.00 0.00 43.02 41.95 2q4r s PHE 206 CO 0.24 -0.19 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.62 2q4r s PHE 207 N 0.91 2.97 0.00 10.12 0.08 0.92 -1.66 117.98 131.32 2q4r s PHE 207 Ca -0.11 -2.03 0.00 0.00 0.12 0.00 0.00 56.93 54.91 2q4r s PHE 207 Cb -0.14 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2q4r s PHE 207 CO 0.00 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.70 2q4r n GLY 208 N 4.53 1.19 0.00 4.36 0.00 -1.18 -0.60 105.19 113.48 2q4r n GLY 208 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2q4r n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q4r n ASP 209 N 0.00 0.00 -0.67 1.61 10.43 -1.26 -1.85 116.55 124.81 2q4r n ASP 209 Ca 0.00 -0.24 -0.03 0.00 2.57 0.00 0.00 54.79 57.09 2q4r n ASP 209 Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 2q4r n ASP 209 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 2q4r n LYS 210 N -0.24 0.00 -3.72 -1.24 2.85 -1.26 -4.75 118.16 109.80 2q4r n LYS 210 Ca 0.00 -0.41 -0.06 0.00 -1.05 0.00 0.00 58.31 56.79 2q4r n LYS 210 Cb 0.00 0.45 -0.02 0.00 -0.65 0.00 0.00 35.03 34.81 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 0.00 0.00 0.00 0.58 2.01 -1.26 -2.83 115.64 114.13 2q4r s THR 211 Ca 0.00 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2q4r s THR 211 Cb 0.00 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.74 2q4r s THR 211 CO 0.00 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.52 2q4r n ASN 216 N -0.43 0.00 -3.63 3.53 3.02 -1.26 -4.66 115.26 111.83 2q4r n ASN 216 Ca -0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.37 2q4r n ASN 216 Cb 0.61 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.71 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2q4r s ASP 217 N 0.00 -0.58 -0.32 6.41 -1.08 -1.26 -5.13 116.67 114.71 2q4r s ASP 217 Ca 0.00 1.08 -0.09 0.00 -0.52 0.00 0.00 52.55 53.01 2q4r s ASP 217 Cb 0.00 1.08 0.01 0.00 -1.46 0.00 0.00 42.92 42.54 2q4r s ASP 217 CO 0.00 -0.22 0.15 -2.28 0.52 0.00 0.00 175.17 173.34 2q4r s HIS 218 N 0.17 3.19 0.20 -5.34 5.65 -1.13 -5.01 115.29 113.01 2q4r s HIS 218 Ca 0.01 -0.77 -0.18 0.00 0.25 0.00 0.00 55.06 54.36 2q4r s HIS 218 Cb -0.05 -2.35 0.16 0.00 -1.18 0.00 0.00 32.58 29.16 2q4r s HIS 218 CO -0.02 -0.54 1.60 0.93 -0.65 0.00 0.00 174.74 176.06 2q4r h GLU 219 N 8.35 -0.11 -0.70 2.88 3.07 -1.96 -1.69 114.58 124.42 2q4r h GLU 219 Ca -0.30 0.01 0.20 0.00 -0.50 0.00 0.00 59.36 58.77 2q4r h GLU 219 Cb 1.13 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 2q4r h GLU 219 CO 0.63 -0.07 0.58 0.97 -1.40 0.00 0.00 179.01 179.71 2q4r h ILE 220 N -0.12 0.48 0.00 3.13 2.10 -1.95 0.92 117.51 122.08 2q4r h ILE 220 Ca 0.26 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.20 2q4r h ILE 220 Cb 0.53 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 2q4r h ILE 220 CO -0.66 0.00 0.00 0.15 -1.08 0.00 0.00 178.15 176.56 2q4r h PHE 221 N 0.00 0.00 0.00 2.19 3.57 -1.60 -3.32 116.94 117.78 2q4r h PHE 221 Ca 0.33 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.56 2q4r h PHE 221 Cb 1.48 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.17 2q4r h PHE 221 CO 0.00 0.00 -2.02 0.25 -2.23 0.00 0.00 178.31 174.31 2q4r n THR 222 N -2.69 1.02 -1.22 4.41 -2.24 0.31 -4.33 114.28 109.53 2q4r n THR 222 Ca 0.03 -0.46 -0.54 0.00 -2.27 0.00 0.00 64.05 60.80 2q4r n THR 222 Cb 0.36 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 2q4r n THR 222 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2q4r n ASP 223 N -2.87 0.77 0.18 3.42 -0.08 -0.26 -4.67 116.55 113.04 2q4r n ASP 223 Ca -0.29 0.73 0.03 0.00 -1.51 0.00 0.00 54.79 53.74 2q4r n ASP 223 Cb 0.88 -0.78 0.16 0.00 2.34 0.00 0.00 41.12 43.72 2q4r n ASP 223 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2q4r h PRO 224 N 6.75 0.00 0.00 -0.67 0.13 -1.92 0.26 132.00 136.54 2q4r h PRO 224 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2q4r h PRO 224 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2q4r h PRO 224 CO 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 2q4r h ARG 225 N 0.00 0.00 0.00 0.86 3.08 -1.95 -3.51 114.38 112.87 2q4r h ARG 225 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q4r h ARG 225 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2q4r h ARG 225 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 2q4r n THR 226 N -2.36 0.00 -3.60 2.04 -2.24 0.90 -3.99 114.28 105.03 2q4r n THR 226 Ca 0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 2q4r n THR 226 Cb 0.32 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.55 -0.27 3.38 0.00 -1.26 -4.89 107.32 103.73 2q4r s GLY 228 Ca 0.00 1.84 -0.02 0.00 0.00 0.00 0.00 44.72 46.54 2q4r s GLY 228 CO 0.00 1.54 0.27 -0.19 0.00 0.00 0.00 173.10 174.71 2q4r s TYR 229 N -0.04 -0.35 0.06 1.90 2.02 -0.66 -4.95 117.35 115.32 2q4r s TYR 229 Ca -0.03 -0.15 -0.31 0.00 -0.37 0.00 0.00 57.07 56.22 2q4r s TYR 229 Cb -0.04 -0.48 -0.06 0.00 -0.40 0.00 0.00 41.96 40.99 2q4r s TYR 229 CO 0.03 -0.85 1.24 -1.54 -1.57 0.00 0.00 175.55 172.87 2q4r s SER 230 N 2.33 7.03 0.12 2.29 1.04 -1.26 -3.13 113.70 122.12 2q4r s SER 230 Ca 0.09 2.05 0.05 0.00 0.48 0.00 0.00 55.95 58.62 2q4r s SER 230 Cb -0.15 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2q4r s SER 230 CO -0.29 -0.52 0.07 0.68 0.98 0.00 0.00 173.24 174.16 2q4r s VAL 231 N 1.22 4.31 -0.05 5.02 -7.23 -0.77 -4.92 120.40 117.98 2q4r s VAL 231 Ca 0.60 -1.00 0.13 0.00 -1.81 0.00 0.00 61.98 59.90 2q4r s VAL 231 Cb -0.30 -3.13 -0.20 0.00 0.56 0.00 0.00 36.38 33.30 2q4r s VAL 231 CO 0.29 0.01 0.31 0.35 -0.31 0.00 0.00 175.10 175.75 2q4r n THR 232 N 0.13 0.00 -3.60 5.32 -2.24 -1.26 -4.84 114.28 107.79 2q4r n THR 232 Ca -0.09 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 2q4r n THR 232 Cb 0.53 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.89 -2.06 0.40 6.98 0.00 -1.26 -4.98 121.76 117.95 2q4r s ALA 233 Ca -0.04 1.67 0.17 0.00 0.00 0.00 0.00 51.96 53.76 2q4r s ALA 233 Cb 0.09 -0.59 1.07 0.00 0.00 0.00 0.00 23.12 23.69 2q4r s ALA 233 CO 0.56 -0.45 1.81 -1.35 0.00 0.00 0.00 175.76 176.33 2q4r h PRO 234 N 2.11 0.42 -0.60 0.00 0.11 -1.75 0.80 132.00 133.10 2q4r h PRO 234 Ca -0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 2q4r h PRO 234 Cb 1.17 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2q4r h PRO 234 CO 0.24 0.28 0.28 0.93 -0.21 0.00 0.00 178.00 179.52 2q4r h GLU 235 N 0.43 0.86 -0.23 1.05 3.07 -1.96 -0.54 114.58 117.27 2q4r h GLU 235 Ca 0.53 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 59.17 2q4r h GLU 235 Cb 1.30 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2q4r h GLU 235 CO -0.24 0.70 -0.22 0.22 -1.40 0.00 0.00 179.01 178.08 2q4r h ASP 236 N 0.82 0.59 -0.84 1.42 3.58 -0.10 -1.91 116.42 119.98 2q4r h ASP 236 Ca 0.20 -0.47 0.11 0.00 0.42 0.00 0.00 57.03 57.29 2q4r h ASP 236 Cb 0.13 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 2q4r h ASP 236 CO -0.02 0.94 0.54 0.74 -2.88 0.00 0.00 179.24 178.55 2q4r h THR 237 N 0.25 0.93 -0.00 2.25 2.02 0.43 0.14 112.91 118.92 2q4r h THR 237 Ca 0.04 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.80 2q4r h THR 237 Cb 0.77 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2q4r h THR 237 CO 0.05 0.14 -0.77 0.03 0.37 0.00 0.00 175.52 175.34 2q4r h ARG 238 N 0.75 0.03 0.46 6.66 3.08 -0.97 -1.98 114.38 122.41 2q4r h ARG 238 Ca 0.39 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 2q4r h ARG 238 Cb 0.50 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2q4r h ARG 238 CO -0.16 0.78 -0.22 -0.09 -1.07 0.00 0.00 179.97 179.21 2q4r h ARG 239 N 0.02 -0.59 -0.73 0.04 2.43 0.05 0.18 114.38 115.78 2q4r h ARG 239 Ca -0.01 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2q4r h ARG 239 Cb 1.36 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 31.01 2q4r h ARG 239 CO 0.10 -0.37 0.32 0.82 -1.51 0.00 0.00 179.97 179.33 2q4r h ILE 240 N -0.66 1.25 -0.76 1.20 2.04 -1.23 -0.34 117.51 119.00 2q4r h ILE 240 Ca -0.06 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 2q4r h ILE 240 Cb 0.49 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2q4r h ILE 240 CO 0.10 0.30 0.35 0.00 0.00 0.00 0.00 178.15 178.90 2q4r h GLU 242 N 1.09 0.02 0.01 0.00 4.57 -0.14 -1.34 114.58 118.79 2q4r h GLU 242 Ca 0.26 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.20 2q4r h GLU 242 Cb 0.13 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2q4r h GLU 242 CO -0.03 0.45 -1.16 1.25 -1.18 0.00 0.00 179.01 178.34 2q4r h LEU 243 N 0.02 0.04 0.09 1.64 5.85 -0.00 -3.35 115.31 119.60 2q4r h LEU 243 Ca -0.00 -0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.40 2q4r h LEU 243 Cb 0.77 -0.01 0.03 0.00 0.37 0.00 0.00 40.66 41.81 2q4r h LEU 243 CO 0.06 1.04 -1.08 0.25 -0.34 0.00 0.00 178.44 178.37 2q4r h LEU 244 N 0.01 0.80 -9.50 2.25 5.85 0.16 -3.46 115.31 111.41 2q4r h LEU 244 Ca -0.07 -0.81 -0.63 0.00 0.84 0.00 0.00 57.88 57.20 2q4r h LEU 244 Cb 1.84 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 42.50 2q4r h LEU 244 CO 0.13 1.52 -0.65 -0.36 -0.34 0.00 0.00 178.44 178.74 2q4r s PHE 245 N -3.01 2.97 0.00 1.25 0.08 -0.52 -5.09 117.98 113.65 2q4r s PHE 245 Ca -0.11 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.89 2q4r s PHE 245 Cb 0.05 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 2q4r s PHE 245 CO 0.91 0.49 0.00 -1.13 -0.10 0.00 0.00 175.22 175.39