#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 0.38 3.62 0.55 0.00 -1.26 -5.00 105.19 103.48 2q4r n GLY 5 Ca 0.00 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -4.36 3.65 -0.12 1.61 0.02 -1.26 -4.91 135.00 129.63 2q4r s PRO 6 Ca 0.46 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 2q4r s PRO 6 Cb -0.02 -4.14 0.10 0.00 0.02 0.00 0.00 34.50 30.45 2q4r s PRO 6 CO 0.31 -1.48 0.83 0.00 -0.33 0.00 0.00 177.00 176.32 2q4r s ALA 7 N 5.94 -1.85 -0.10 -1.55 0.00 -1.26 0.25 121.76 123.19 2q4r s ALA 7 Ca 0.81 1.51 0.01 0.00 0.00 0.00 0.00 51.96 54.29 2q4r s ALA 7 Cb -0.29 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2q4r s ALA 7 CO 0.33 -0.34 -0.13 -1.17 0.00 0.00 0.00 175.76 174.45 2q4r s LEU 8 N -0.94 2.74 -0.20 0.00 2.96 -1.03 -2.45 118.68 119.76 2q4r s LEU 8 Ca -0.06 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2q4r s LEU 8 Cb -0.01 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.10 2q4r s LEU 8 CO 0.05 0.24 -0.16 0.00 -1.32 0.00 0.00 176.35 175.16 2q4r s LEU 10 N 1.31 3.50 0.20 0.00 1.43 -0.03 0.63 118.68 125.72 2q4r s LEU 10 Ca 0.04 0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.29 2q4r s LEU 10 Cb -0.14 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2q4r s LEU 10 CO -0.10 0.28 -0.17 -0.36 0.23 0.00 0.00 176.35 176.22 2q4r s PHE 11 N -0.29 2.44 0.33 0.29 0.08 -0.39 -1.53 117.98 118.90 2q4r s PHE 11 Ca 0.06 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 2q4r s PHE 11 Cb -0.12 -1.19 -0.06 0.00 -0.57 0.00 0.00 43.02 41.07 2q4r s PHE 11 CO 0.02 0.52 0.65 0.34 -0.10 0.00 0.00 175.22 176.66 2q4r s ASP 12 N -2.82 6.53 0.00 1.36 3.68 0.71 -2.70 116.67 123.43 2q4r s ASP 12 Ca 0.23 0.95 0.00 0.00 2.13 0.00 0.00 52.55 55.87 2q4r s ASP 12 Cb -0.08 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 2q4r s ASP 12 CO 0.13 -0.25 0.00 1.33 0.13 0.00 0.00 175.17 176.50 2q4r n VAL 13 N -0.90 0.00 -1.64 1.11 0.24 -1.25 -3.92 118.33 111.97 2q4r n VAL 13 Ca 0.01 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.81 2q4r n VAL 13 Cb 0.54 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.70 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 -0.03 2.53 0.00 -1.34 2.03 -1.26 -1.24 116.55 117.24 2q4r n ASP 14 Ca 0.00 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.40 2q4r n ASP 14 Cb 0.00 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 2q4r n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q4r n GLY 15 N 3.23 2.70 0.09 0.27 0.00 0.27 -4.76 105.19 106.99 2q4r n GLY 15 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 1.24 0.00 2.61 2.02 -1.38 -3.26 112.91 114.14 2q4r h THR 16 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 2q4r h THR 16 Cb 0.00 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2q4r h THR 16 CO 0.00 0.45 -0.90 0.18 0.37 0.00 0.00 175.52 175.62 2q4r n LEU 17 N -4.45 0.30 -4.23 2.58 4.77 -0.74 -3.48 117.00 111.74 2q4r n LEU 17 Ca -0.24 -0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 55.31 2q4r n LEU 17 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2q4r n LEU 17 CO 0.26 0.07 -0.29 0.42 -1.33 0.00 0.00 177.39 176.52 2q4r s THR 18 N -2.30 0.42 0.33 -5.08 -4.23 -1.24 -4.47 115.64 99.07 2q4r s THR 18 Ca 0.01 -1.97 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 2q4r s THR 18 Cb 0.08 -2.29 -0.09 0.00 1.34 0.00 0.00 72.50 71.53 2q4r s THR 18 CO 0.44 -0.29 0.83 0.00 -0.54 0.00 0.00 174.62 175.07 2q4r s ALA 19 N -3.85 3.25 0.17 3.99 0.00 -1.26 -0.56 121.76 123.50 2q4r s ALA 19 Ca 0.30 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 2q4r s ALA 19 Cb 0.07 -2.97 -0.17 0.00 0.00 0.00 0.00 23.12 20.06 2q4r s ALA 19 CO 0.07 0.25 0.89 -2.30 0.00 0.00 0.00 175.76 174.66 2q4r n PRO 20 N 0.04 0.57 -1.39 0.00 -0.02 -1.26 -0.75 135.00 132.19 2q4r n PRO 20 Ca 0.03 0.20 -0.12 0.00 -2.02 0.00 0.00 63.50 61.59 2q4r n PRO 20 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.46 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 1.26 -1.30 -4.37 -0.52 0.63 -1.26 -4.93 116.66 106.17 2q4r n ARG 21 Ca 0.16 0.70 -0.27 0.00 -0.92 0.00 0.00 57.85 57.52 2q4r n ARG 21 Cb 0.23 -4.93 -0.13 0.00 0.45 0.00 0.00 32.46 28.08 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2q4r s GLN 22 N -3.09 1.34 0.62 -0.14 -0.21 0.07 -5.13 119.66 113.12 2q4r s GLN 22 Ca 0.00 -1.33 -0.15 0.00 0.02 0.00 0.00 55.36 53.90 2q4r s GLN 22 Cb 0.00 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.26 2q4r s GLN 22 CO 0.00 0.40 1.06 0.21 -2.12 0.00 0.00 175.29 174.84 2q4r s LYS 23 N -2.16 3.21 0.47 2.91 2.20 -1.26 -4.39 119.74 120.72 2q4r s LYS 23 Ca 0.13 1.17 -0.23 0.00 -0.36 0.00 0.00 55.97 56.68 2q4r s LYS 23 Cb -0.09 -2.02 -0.08 0.00 -1.51 0.00 0.00 37.83 34.12 2q4r s LYS 23 CO 0.06 -0.90 1.17 1.51 -0.36 0.00 0.00 175.35 176.84 2q4r n ILE 24 N -2.26 2.90 -2.86 5.43 3.06 0.87 -4.67 119.36 121.82 2q4r n ILE 24 Ca 0.09 -0.50 -0.35 0.00 -2.50 0.00 0.00 62.75 59.48 2q4r n ILE 24 Cb 0.53 -1.41 -0.07 0.00 0.54 0.00 0.00 39.64 39.23 2q4r n ILE 24 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2q4r s THR 25 N -1.28 4.35 0.18 9.51 2.01 -1.26 -4.89 115.64 124.26 2q4r s THR 25 Ca 0.65 1.59 -0.13 0.00 0.31 0.00 0.00 61.69 64.12 2q4r s THR 25 Cb -0.49 -3.85 0.08 0.00 0.01 0.00 0.00 72.50 68.26 2q4r s THR 25 CO 0.55 0.00 1.79 0.50 -0.69 0.00 0.00 174.62 176.76 2q4r h LYS 26 N 2.80 0.50 0.00 4.92 3.11 -1.99 1.23 116.57 127.12 2q4r h LYS 26 Ca -0.48 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2q4r h LYS 26 Cb 1.19 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 2q4r h LYS 26 CO 0.64 0.33 0.00 -1.91 -2.81 0.00 0.00 179.45 175.70 2q4r n GLU 27 N -4.88 0.00 0.00 1.90 2.13 -1.26 -0.71 120.64 117.82 2q4r n GLU 27 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2q4r n GLU 27 Cb 0.14 -0.96 0.00 0.00 0.27 0.00 0.00 31.44 30.89 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 0.16 0.00 0.24 4.31 2.03 0.42 -2.47 116.55 121.24 2q4r n ASP 29 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 2q4r n ASP 29 Cb 0.00 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.00 0.86 1.67 3.32 -1.14 -2.64 116.42 118.48 2q4r h ASP 30 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2q4r h ASP 30 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2q4r h ASP 30 CO 0.00 0.13 -0.41 0.15 -1.72 0.00 0.00 179.24 177.39 2q4r h PHE 31 N 0.00 -1.07 -0.11 4.55 3.57 -1.71 -0.88 116.94 121.29 2q4r h PHE 31 Ca -0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 2q4r h PHE 31 Cb 0.25 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2q4r h PHE 31 CO 0.00 -0.66 0.08 -0.07 -2.23 0.00 0.00 178.31 175.43 2q4r h LEU 32 N -1.20 0.02 -0.21 0.59 3.38 -1.82 -0.67 115.31 115.39 2q4r h LEU 32 Ca -0.12 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 2q4r h LEU 32 Cb 0.89 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2q4r h LEU 32 CO 0.19 0.01 -0.91 1.56 0.09 0.00 0.00 178.44 179.38 2q4r h GLN 33 N 0.02 0.09 -0.07 1.13 1.08 -1.35 -1.79 115.11 114.22 2q4r h GLN 33 Ca 0.05 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 2q4r h GLN 33 Cb 0.18 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2q4r h GLN 33 CO -0.00 0.94 -0.10 -0.22 -0.95 0.00 0.00 178.83 178.49 2q4r h LYS 34 N 0.04 0.20 0.00 1.46 3.64 0.15 -3.19 116.57 118.87 2q4r h LYS 34 Ca -0.03 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2q4r h LYS 34 Cb 1.58 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 2q4r h LYS 34 CO 0.13 0.68 -0.17 1.37 -2.27 0.00 0.00 179.45 179.18 2q4r h LEU 35 N -0.27 0.00 0.00 5.20 8.10 -1.26 -3.08 115.31 124.00 2q4r h LEU 35 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2q4r h LEU 35 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 2q4r h LEU 35 CO 0.02 0.17 0.00 -1.14 -4.11 0.00 0.00 178.44 173.39 2q4r n ARG 36 N -3.25 0.07 0.02 0.17 0.63 -0.67 -1.11 116.66 112.53 2q4r n ARG 36 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2q4r n ARG 36 Cb 0.46 -1.29 -0.09 0.00 0.45 0.00 0.00 32.46 32.00 2q4r n ARG 36 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2q4r n GLN 37 N -0.79 0.63 0.01 -0.14 1.13 -1.17 -4.11 117.38 112.94 2q4r n GLN 37 Ca 0.01 0.19 0.11 0.00 -1.94 0.00 0.00 57.00 55.37 2q4r n GLN 37 Cb 0.00 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 28.50 2q4r n GLN 37 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2q4r n LYS 38 N -2.85 0.32 -3.56 -1.09 0.00 -0.26 -5.00 118.16 105.72 2q4r n LYS 38 Ca -0.10 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.31 58.03 2q4r n LYS 38 Cb 0.84 -1.55 -0.05 0.00 -0.00 0.00 0.00 35.03 34.26 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 -3.24 0.00 0.58 0.58 2.07 -1.20 -3.80 121.20 116.19 2q4r s ILE 39 Ca 0.01 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.06 2q4r s ILE 39 Cb 0.15 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 2q4r s ILE 39 CO 0.85 0.00 1.19 -0.54 -1.91 0.00 0.00 174.94 174.53 2q4r s LYS 40 N -1.28 3.06 0.11 3.50 -0.14 -1.03 -4.30 119.74 119.67 2q4r s LYS 40 Ca -0.03 1.79 0.05 0.00 -1.36 0.00 0.00 55.97 56.42 2q4r s LYS 40 Cb -0.00 -1.95 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 2q4r s LYS 40 CO 0.03 -1.13 -0.13 0.96 -0.76 0.00 0.00 175.35 174.33 2q4r s ILE 41 N -1.62 1.18 0.18 2.17 -4.36 -1.26 -0.67 121.20 116.82 2q4r s ILE 41 Ca 0.76 -1.67 -0.14 0.00 -0.26 0.00 0.00 60.65 59.35 2q4r s ILE 41 Cb -0.29 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 41.98 2q4r s ILE 41 CO 0.32 -0.46 0.42 -0.83 0.24 0.00 0.00 174.94 174.63 2q4r s GLY 42 N -2.41 0.16 0.02 6.27 0.00 0.20 0.48 107.32 112.05 2q4r s GLY 42 Ca 0.07 -0.52 0.03 0.00 0.00 0.00 0.00 44.72 44.30 2q4r s GLY 42 CO 0.02 -0.52 -0.10 -1.34 0.00 0.00 0.00 173.10 171.16 2q4r s VAL 43 N -3.92 0.81 0.02 1.40 -7.23 -0.54 -1.27 120.40 109.68 2q4r s VAL 43 Ca 0.13 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 2q4r s VAL 43 Cb 0.01 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 2q4r s VAL 43 CO -0.01 0.01 -0.05 0.54 -0.31 0.00 0.00 175.10 175.28 2q4r s VAL 44 N -0.66 0.30 -0.05 1.32 0.11 -1.10 -0.86 120.40 119.46 2q4r s VAL 44 Ca 0.00 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 57.97 2q4r s VAL 44 Cb -0.06 -0.37 0.11 0.00 -1.53 0.00 0.00 36.38 34.53 2q4r s VAL 44 CO 0.00 -0.32 0.97 -0.83 -3.33 0.00 0.00 175.10 171.59 2q4r s GLY 45 N -1.16 -0.42 0.34 6.54 0.00 -1.22 -3.91 107.32 107.49 2q4r s GLY 45 Ca -0.09 1.14 0.25 0.00 0.00 0.00 0.00 44.72 46.02 2q4r s GLY 45 CO -0.00 0.38 1.72 -1.33 0.00 0.00 0.00 173.10 173.86 2q4r h GLY 46 N 2.00 0.00 -0.78 0.20 0.00 -1.94 -2.02 103.07 100.53 2q4r h GLY 46 Ca -0.19 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.67 2q4r h GLY 46 CO 0.29 0.00 0.33 -1.35 0.00 0.00 0.00 176.54 175.81 2q4r s SER 47 N -5.32 3.91 0.71 0.19 1.04 -1.26 -3.90 113.70 109.07 2q4r s SER 47 Ca 0.08 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.46 2q4r s SER 47 Cb 0.09 -1.59 0.09 0.00 0.10 0.00 0.00 66.02 64.71 2q4r s SER 47 CO 0.61 -2.31 1.00 1.51 0.98 0.00 0.00 173.24 175.04 2q4r s ASP 48 N -4.12 4.55 0.17 7.02 1.47 -1.26 -2.17 116.67 122.34 2q4r s ASP 48 Ca 0.63 0.10 -0.14 0.00 1.18 0.00 0.00 52.55 54.31 2q4r s ASP 48 Cb -0.14 -0.64 0.14 0.00 -0.34 0.00 0.00 42.92 41.94 2q4r s ASP 48 CO 0.53 -1.73 1.72 0.15 0.68 0.00 0.00 175.17 176.51 2q4r h PHE 49 N -0.58 0.13 -0.07 2.11 3.57 -1.97 0.31 116.94 120.43 2q4r h PHE 49 Ca -0.42 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.14 2q4r h PHE 49 Cb 1.29 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 2q4r h PHE 49 CO -0.00 -0.00 -0.14 0.93 -2.23 0.00 0.00 178.31 176.86 2q4r h GLU 50 N 0.21 -0.20 -0.22 1.11 5.08 -1.97 1.12 114.58 119.71 2q4r h GLU 50 Ca 0.21 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2q4r h GLU 50 Cb 0.27 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2q4r h GLU 50 CO -0.29 -0.13 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.24 2q4r h LYS 51 N -0.21 -0.11 -0.50 2.33 1.63 -1.82 0.81 116.57 118.71 2q4r h LYS 51 Ca 0.07 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2q4r h LYS 51 Cb 0.31 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2q4r h LYS 51 CO -0.19 -0.07 0.30 0.28 -3.45 0.00 0.00 179.45 176.31 2q4r h VAL 52 N -0.11 1.05 -0.80 2.00 2.07 -0.14 0.62 116.25 120.94 2q4r h VAL 52 Ca 0.12 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2q4r h VAL 52 Cb 0.29 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2q4r h VAL 52 CO -0.29 0.11 0.49 1.56 0.02 0.00 0.00 177.57 179.46 2q4r h GLN 53 N 0.59 0.88 -0.66 1.57 4.20 0.28 0.47 115.11 122.44 2q4r h GLN 53 Ca 0.20 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2q4r h GLN 53 Cb 0.02 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2q4r h GLN 53 CO -0.09 0.58 0.40 0.93 -0.67 0.00 0.00 178.83 179.98 2q4r h GLU 54 N 0.90 0.89 0.04 1.46 5.08 0.20 1.23 114.58 124.38 2q4r h GLU 54 Ca 0.35 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2q4r h GLU 54 Cb 0.15 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2q4r h GLU 54 CO -0.17 0.63 -0.66 1.96 -1.00 0.00 0.00 179.01 179.77 2q4r h GLN 55 N 0.90 0.39 -0.01 2.33 4.20 -0.13 -3.38 115.11 119.40 2q4r h GLN 55 Ca 0.24 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2q4r h GLN 55 Cb -0.03 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2q4r h GLN 55 CO -0.05 1.14 -0.18 1.28 -0.67 0.00 0.00 178.83 180.36 2q4r n LEU 56 N -4.19 1.89 0.00 1.46 4.77 0.16 0.30 117.00 121.39 2q4r n LEU 56 Ca -0.11 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2q4r n LEU 56 Cb 0.71 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2q4r n LEU 56 CO 0.47 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2q4r n GLY 57 N 1.01 2.75 0.25 -0.72 0.00 0.42 -4.66 105.19 104.25 2q4r n GLY 57 Ca 0.08 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.61 1.61 2.35 -1.91 -3.03 115.58 113.98 2q4r h ASN 58 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 2q4r h ASN 58 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 2q4r h ASN 58 CO 0.00 0.02 0.25 -0.90 -1.65 0.00 0.00 177.43 175.16 2q4r n ASP 59 N -3.11 4.15 -0.31 5.81 5.75 -1.26 -4.70 116.55 122.88 2q4r n ASP 59 Ca 0.02 -2.99 0.08 0.00 -0.01 0.00 0.00 54.79 51.89 2q4r n ASP 59 Cb 0.42 -0.71 0.19 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.95 0.14 -0.02 2.12 3.04 -1.80 0.97 116.25 122.65 2q4r h VAL 60 Ca 0.25 -0.01 0.01 0.00 -1.01 0.00 0.00 66.70 65.93 2q4r h VAL 60 Cb 2.06 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2q4r h VAL 60 CO 0.62 0.01 0.04 -0.37 -1.01 0.00 0.00 177.57 176.86 2q4r h VAL 61 N 0.03 0.27 0.00 1.51 -1.51 -1.86 -1.07 116.25 113.62 2q4r h VAL 61 Ca 0.48 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.88 2q4r h VAL 61 Cb 0.87 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 2q4r h VAL 61 CO -0.85 0.00 -0.84 -0.33 -1.23 0.00 0.00 177.57 174.32 2q4r h GLU 62 N 0.00 0.00 0.00 5.19 5.08 -1.15 -3.20 114.58 120.50 2q4r h GLU 62 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2q4r h GLU 62 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2q4r h GLU 62 CO -0.00 0.19 -0.62 0.87 -1.00 0.00 0.00 179.01 178.46 2q4r h LYS 63 N 0.00 0.00 -5.11 2.33 1.79 -1.08 -3.47 116.57 111.02 2q4r h LYS 63 Ca -0.05 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.07 2q4r h LYS 63 Cb 1.26 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.76 2q4r h LYS 63 CO 0.03 0.00 -0.70 0.71 -1.08 0.00 0.00 179.45 178.41 2q4r s TYR 64 N -3.21 1.40 -0.06 -1.35 2.02 -0.99 -4.83 117.35 110.33 2q4r s TYR 64 Ca 0.05 -0.80 0.13 0.00 -0.37 0.00 0.00 57.07 56.08 2q4r s TYR 64 Cb 0.12 -0.75 -0.15 0.00 -0.40 0.00 0.00 41.96 40.78 2q4r s TYR 64 CO 0.72 0.06 0.94 -0.44 -1.57 0.00 0.00 175.55 175.27 2q4r h ASP 65 N 2.65 0.00 -4.69 2.29 3.32 -0.24 -3.38 116.42 116.36 2q4r h ASP 65 Ca -0.37 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.43 2q4r h ASP 65 Cb 1.20 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 2q4r h ASP 65 CO 0.64 0.78 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.90 2q4r s TYR 66 N -2.78 0.52 -0.06 4.55 2.02 -1.05 0.18 117.35 120.73 2q4r s TYR 66 Ca -0.02 -0.45 -0.03 0.00 -0.37 0.00 0.00 57.07 56.21 2q4r s TYR 66 Cb 0.09 -0.33 0.04 0.00 -0.40 0.00 0.00 41.96 41.36 2q4r s TYR 66 CO 0.81 -0.10 0.10 0.08 -1.57 0.00 0.00 175.55 174.86 2q4r s VAL 67 N -1.22 -0.16 -0.63 0.71 1.01 -0.89 -1.47 120.40 117.75 2q4r s VAL 67 Ca -0.10 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.32 2q4r s VAL 67 Cb -0.09 -0.21 0.17 0.00 0.00 0.00 0.00 36.38 36.25 2q4r s VAL 67 CO -0.00 0.16 0.45 -0.36 0.00 0.00 0.00 175.10 175.35 2q4r s PHE 68 N 2.21 3.00 0.83 5.22 0.08 -0.04 -0.97 117.98 128.32 2q4r s PHE 68 Ca 0.04 -3.10 -0.10 0.00 0.12 0.00 0.00 56.93 53.89 2q4r s PHE 68 Cb -0.12 -2.32 0.10 0.00 -0.57 0.00 0.00 43.02 40.11 2q4r s PHE 68 CO -0.04 -0.62 1.11 -2.14 -0.10 0.00 0.00 175.22 173.43 2q4r s PRO 69 N -1.05 1.72 -1.25 0.24 0.02 -1.16 -3.26 135.00 130.26 2q4r s PRO 69 Ca 0.26 1.31 -0.22 0.00 0.02 0.00 0.00 61.00 62.37 2q4r s PRO 69 Cb -0.04 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.67 2q4r s PRO 69 CO -0.16 -2.07 0.62 0.39 -0.33 0.00 0.00 177.00 175.45 2q4r n GLU 70 N -3.83 -1.05 0.00 5.54 1.02 -0.92 -0.36 120.64 121.05 2q4r n GLU 70 Ca 0.10 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2q4r n GLU 70 Cb 0.53 -3.44 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 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 -2.51 0.00 0.00 1.62 3.02 -0.78 -2.13 115.26 114.48 2q4r n ASN 71 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2q4r n ASN 71 Cb 0.60 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 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 -1.98 0.63 0.23 7.41 0.00 0.52 -3.01 105.19 108.99 2q4r n GLY 72 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -8.39 0.99 3.38 -1.46 -3.36 115.31 106.47 2q4r h LEU 73 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2q4r h LEU 73 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 2q4r h LEU 73 CO 0.00 0.00 -0.86 -0.69 0.09 0.00 0.00 178.44 176.98 2q4r s VAL 74 N -3.75 1.65 -0.18 1.22 1.01 -1.23 -0.88 120.40 118.24 2q4r s VAL 74 Ca -0.03 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 2q4r s VAL 74 Cb 0.09 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 35.14 2q4r s VAL 74 CO 0.31 0.47 0.58 0.00 0.00 0.00 0.00 175.10 176.46 2q4r s ALA 75 N -0.31 -1.45 0.06 5.51 0.00 -0.91 -2.98 121.76 121.67 2q4r s ALA 75 Ca 0.04 1.50 0.09 0.00 0.00 0.00 0.00 51.96 53.59 2q4r s ALA 75 Cb -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 2q4r s ALA 75 CO 0.01 -0.29 -0.26 0.71 0.00 0.00 0.00 175.76 175.93 2q4r s TYR 76 N -0.04 2.34 -0.05 0.00 4.12 -0.14 0.80 117.35 124.38 2q4r s TYR 76 Ca -0.03 -0.39 0.02 0.00 0.02 0.00 0.00 57.07 56.69 2q4r s TYR 76 Cb -0.04 -1.38 0.01 0.00 -1.52 0.00 0.00 41.96 39.04 2q4r s TYR 76 CO 0.02 0.17 -0.10 0.21 0.02 0.00 0.00 175.55 175.87 2q4r s LYS 77 N -1.37 1.28 -0.90 -0.62 2.20 0.30 -2.10 119.74 118.54 2q4r s LYS 77 Ca 0.12 -0.33 -0.07 0.00 -0.36 0.00 0.00 55.97 55.34 2q4r s LYS 77 Cb -0.10 -1.13 0.00 0.00 -1.51 0.00 0.00 37.83 35.09 2q4r s LYS 77 CO 0.03 0.05 0.66 -0.25 -0.36 0.00 0.00 175.35 175.48 2q4r n ASP 78 N 3.64 -5.52 0.00 1.43 10.43 0.13 0.29 116.55 126.94 2q4r n ASP 78 Ca -0.22 -0.81 0.00 0.00 2.57 0.00 0.00 54.79 56.33 2q4r n ASP 78 Cb 0.52 -2.76 0.00 0.00 1.84 0.00 0.00 41.12 40.72 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 -1.73 0.00 3.45 0.44 0.00 -1.21 -4.87 105.19 101.28 2q4r n GLY 79 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.41 3.65 0.25 1.61 2.20 0.14 -4.88 119.74 122.31 2q4r s LYS 80 Ca 0.00 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 54.81 2q4r s LYS 80 Cb 0.00 -3.22 -0.13 0.00 -1.51 0.00 0.00 37.83 32.97 2q4r s LYS 80 CO 0.00 -0.09 1.51 -0.11 -0.36 0.00 0.00 175.35 176.30 2q4r n LEU 81 N 4.60 3.62 0.00 5.43 0.00 -1.26 0.11 117.00 129.50 2q4r n LEU 81 Ca -0.17 1.13 0.00 0.00 0.00 0.00 0.00 56.01 56.98 2q4r n LEU 81 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 43.42 42.44 2q4r n LEU 81 CO 0.31 -0.20 0.00 -0.11 0.00 0.00 0.00 177.39 177.40 2q4r n LEU 82 N 2.37 0.00 -4.33 -1.96 7.94 0.24 -4.77 117.00 116.48 2q4r n LEU 82 Ca 0.11 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.84 2q4r n LEU 82 Cb 0.33 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.18 2q4r n LEU 82 CO 0.63 0.00 -0.24 0.00 -1.11 0.00 0.00 177.39 176.67 2q4r n ARG 84 N -0.51 0.75 -3.65 0.00 1.74 -1.25 -2.14 116.66 111.59 2q4r n ARG 84 Ca 0.00 -3.17 0.00 0.00 -0.77 0.00 0.00 57.85 53.91 2q4r n ARG 84 Cb 0.66 1.32 -0.06 0.00 -1.02 0.00 0.00 32.46 33.36 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 -3.49 0.03 0.29 5.56 2.00 -0.06 -4.88 119.66 119.10 2q4r s GLN 85 Ca 0.10 0.04 0.02 0.00 -2.00 0.00 0.00 55.36 53.53 2q4r s GLN 85 Cb 0.01 0.01 -0.06 0.00 0.80 0.00 0.00 33.01 33.77 2q4r s GLN 85 CO 0.07 -0.00 0.08 0.54 -0.50 0.00 0.00 175.29 175.48 2q4r s ASN 86 N 0.54 1.75 0.25 6.67 2.20 -1.26 -4.76 114.94 120.33 2q4r s ASN 86 Ca -0.01 -1.38 0.00 0.00 -0.94 0.00 0.00 52.86 50.53 2q4r s ASN 86 Cb -0.03 0.05 0.32 0.00 -2.00 0.00 0.00 41.25 39.59 2q4r s ASN 86 CO -0.13 -0.68 1.67 -0.29 -2.94 0.00 0.00 177.10 174.74 2q4r h ILE 87 N 2.25 1.28 0.00 0.54 2.10 -1.42 -2.29 117.51 119.97 2q4r h ILE 87 Ca -0.39 -1.36 -0.11 0.00 1.08 0.00 0.00 64.86 64.08 2q4r h ILE 87 Cb 1.25 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 38.34 2q4r h ILE 87 CO 0.65 0.43 -0.51 0.06 -1.08 0.00 0.00 178.15 177.70 2q4r h GLN 88 N 0.47 0.00 0.02 2.19 -0.00 -1.87 -0.51 115.11 115.41 2q4r h GLN 88 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.64 2q4r h GLN 88 Cb 0.74 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.22 2q4r h GLN 88 CO 0.06 0.51 -0.29 0.77 -0.00 0.00 0.00 178.83 179.88 2q4r h SER 89 N 0.00 0.22 -0.34 0.06 0.02 -1.84 0.36 113.55 112.04 2q4r h SER 89 Ca -0.01 -0.84 -0.02 0.00 -0.84 0.00 0.00 61.79 60.09 2q4r h SER 89 Cb 0.94 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2q4r h SER 89 CO 0.07 1.04 0.15 -0.74 -1.14 0.00 0.00 176.83 176.21 2q4r h HIS 90 N -0.57 0.50 0.00 3.45 -0.00 -1.39 -3.13 115.15 114.02 2q4r h HIS 90 Ca -0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2q4r h HIS 90 Cb 1.10 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2q4r h HIS 90 CO 0.20 0.45 -0.63 1.28 -0.00 0.00 0.00 177.93 179.23 2q4r n LEU 91 N -4.72 0.60 0.00 0.26 4.77 -0.21 -5.07 117.00 112.63 2q4r n LEU 91 Ca -0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2q4r n LEU 91 Cb 0.12 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2q4r n LEU 91 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2q4r n GLY 92 N 1.48 -1.99 0.23 -0.72 0.00 0.13 -4.14 105.19 100.18 2q4r n GLY 92 Ca 0.05 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.78 2q4r n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2q4r h GLU 93 N 0.00 0.00 -0.03 1.61 4.39 -1.86 -2.59 114.58 116.11 2q4r h GLU 93 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2q4r h GLU 93 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2q4r h GLU 93 CO 0.00 0.14 -0.01 0.00 -1.16 0.00 0.00 179.01 177.98 2q4r h ALA 94 N 1.86 0.04 -0.27 3.43 0.00 -1.90 -2.19 119.26 120.23 2q4r h ALA 94 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2q4r h ALA 94 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2q4r h ALA 94 CO 0.02 -0.23 0.16 1.25 0.00 0.00 0.00 179.25 180.45 2q4r h LEU 95 N -0.34 0.32 -0.45 0.00 5.85 -1.70 0.28 115.31 119.27 2q4r h LEU 95 Ca 0.01 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2q4r h LEU 95 Cb 0.44 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 2q4r h LEU 95 CO 0.00 0.28 -0.35 0.40 -0.34 0.00 0.00 178.44 178.43 2q4r h ILE 96 N 0.34 0.19 -0.07 4.05 1.08 -1.47 0.16 117.51 121.79 2q4r h ILE 96 Ca 0.10 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.49 2q4r h ILE 96 Cb 0.01 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 2q4r h ILE 96 CO -0.02 0.00 -0.33 1.56 -0.69 0.00 0.00 178.15 178.67 2q4r h GLN 97 N -0.25 0.13 -0.50 2.37 4.20 -1.11 0.86 115.11 120.82 2q4r h GLN 97 Ca 0.18 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 2q4r h GLN 97 Cb 0.55 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2q4r h GLN 97 CO -0.58 0.45 0.09 -0.44 -0.67 0.00 0.00 178.83 177.68 2q4r h ASP 98 N 0.11 0.79 -0.32 1.46 3.45 0.81 0.40 116.42 123.12 2q4r h ASP 98 Ca 0.01 -0.25 -0.09 0.00 0.43 0.00 0.00 57.03 57.13 2q4r h ASP 98 Cb 0.65 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 2q4r h ASP 98 CO 0.05 0.84 -0.15 -0.07 -1.57 0.00 0.00 179.24 178.34 2q4r h LEU 99 N 0.71 0.69 0.20 1.55 3.38 -0.43 -1.92 115.31 119.49 2q4r h LEU 99 Ca 0.15 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2q4r h LEU 99 Cb 0.38 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2q4r h LEU 99 CO 0.01 0.94 -0.10 0.40 0.09 0.00 0.00 178.44 179.78 2q4r h ILE 100 N 0.44 0.86 -0.57 1.22 2.04 -0.65 -1.86 117.51 118.99 2q4r h ILE 100 Ca 0.07 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.70 2q4r h ILE 100 Cb 0.67 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2q4r h ILE 100 CO 0.05 0.07 0.24 0.78 0.00 0.00 0.00 178.15 179.29 2q4r h ASN 101 N -0.41 0.29 0.33 1.72 2.35 -0.22 -0.56 115.58 119.08 2q4r h ASN 101 Ca -0.03 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2q4r h ASN 101 Cb 0.32 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 2q4r h ASN 101 CO 0.04 0.19 -0.19 0.22 -1.65 0.00 0.00 177.43 176.04 2q4r h TYR 102 N 0.45 -0.49 -0.96 1.19 3.20 -1.25 -1.97 116.97 117.14 2q4r h TYR 102 Ca 0.27 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.21 2q4r h TYR 102 Cb 0.28 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 2q4r h TYR 102 CO -0.14 -0.30 0.61 0.00 -1.64 0.00 0.00 178.16 176.69 2q4r h LEU 104 N 1.10 -0.79 -0.96 0.00 3.38 -0.81 0.10 115.31 117.33 2q4r h LEU 104 Ca 0.42 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 2q4r h LEU 104 Cb 0.20 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2q4r h LEU 104 CO -0.18 -0.44 0.21 0.28 0.09 0.00 0.00 178.44 178.39 2q4r h SER 105 N -0.67 0.89 0.28 -0.43 0.02 -1.11 -2.36 113.55 110.17 2q4r h SER 105 Ca -0.03 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2q4r h SER 105 Cb 0.59 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2q4r h SER 105 CO -0.02 0.83 -0.22 0.22 -1.14 0.00 0.00 176.83 176.50 2q4r h TYR 106 N 0.93 -0.59 -0.59 3.45 3.20 -0.51 -2.47 116.97 120.40 2q4r h TYR 106 Ca 0.21 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.14 2q4r h TYR 106 Cb 0.25 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 2q4r h TYR 106 CO 0.02 -0.34 0.39 0.82 -1.64 0.00 0.00 178.16 177.42 2q4r h ILE 107 N -0.51 0.99 0.00 1.81 2.04 -0.81 -0.64 117.51 120.39 2q4r h ILE 107 Ca -0.02 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2q4r h ILE 107 Cb 0.45 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2q4r h ILE 107 CO -0.02 0.10 -0.12 0.00 0.00 0.00 0.00 178.15 178.12 2q4r h ALA 108 N 1.68 1.15 -0.56 1.87 0.00 -0.98 -2.64 119.26 119.79 2q4r h ALA 108 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2q4r h ALA 108 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2q4r h ALA 108 CO -0.07 0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.95 2q4r n LYS 109 N -3.45 4.32 -3.69 0.00 5.02 -0.25 -4.90 118.16 115.20 2q4r n LYS 109 Ca -0.01 -3.04 -0.37 0.00 -2.02 0.00 0.00 58.31 52.87 2q4r n LYS 109 Cb 0.28 -2.10 -0.12 0.00 -0.02 0.00 0.00 35.03 33.07 2q4r n LYS 109 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2q4r s ILE 110 N -2.49 4.75 0.11 -0.18 1.01 -1.00 -5.07 121.20 118.34 2q4r s ILE 110 Ca 0.52 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 2q4r s ILE 110 Cb 0.38 -3.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.54 2q4r s ILE 110 CO 0.18 0.31 1.21 -0.75 0.00 0.00 0.00 174.94 175.88 2q4r s LYS 111 N 1.62 4.45 0.08 2.79 2.36 -1.26 -5.01 119.74 124.77 2q4r s LYS 111 Ca 0.07 1.83 -0.13 0.00 -2.55 0.00 0.00 55.97 55.18 2q4r s LYS 111 Cb -0.15 -3.30 0.02 0.00 -1.05 0.00 0.00 37.83 33.35 2q4r s LYS 111 CO 0.07 -0.20 0.30 -0.51 1.55 0.00 0.00 175.35 176.56 2q4r s LEU 112 N 0.55 0.87 0.30 5.43 1.43 -1.26 -5.04 118.68 120.96 2q4r s LEU 112 Ca 0.57 -0.35 0.26 0.00 -1.03 0.00 0.00 54.13 53.57 2q4r s LEU 112 Cb -0.31 1.43 0.91 0.00 0.03 0.00 0.00 46.19 48.25 2q4r s LEU 112 CO 0.32 -0.72 1.76 1.55 0.23 0.00 0.00 176.35 179.49 2q4r h PRO 113 N 2.82 0.00 -2.23 1.29 0.13 -1.97 -3.46 132.00 128.57 2q4r h PRO 113 Ca -0.33 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 2q4r h PRO 113 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 2q4r h PRO 113 CO 0.49 0.00 0.48 0.15 -0.23 0.00 0.00 178.00 178.89 2q4r s LYS 114 N -3.28 0.82 -0.15 0.86 1.02 -1.26 -5.16 119.74 112.59 2q4r s LYS 114 Ca 0.06 -0.25 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 2q4r s LYS 114 Cb 0.10 0.38 0.04 0.00 -0.52 0.00 0.00 37.83 37.83 2q4r s LYS 114 CO 0.51 -0.35 0.44 0.15 -0.92 0.00 0.00 175.35 175.19 2q4r s LYS 115 N -2.91 0.55 0.00 1.68 1.02 -1.26 -4.70 119.74 114.12 2q4r s LYS 115 Ca 0.04 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.57 2q4r s LYS 115 Cb -0.01 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 2q4r s LYS 115 CO -0.08 -0.08 0.00 0.54 -0.92 0.00 0.00 175.35 174.81 2q4r n ARG 116 N 2.65 0.00 -3.87 1.68 5.12 0.60 -5.03 116.66 117.82 2q4r n ARG 116 Ca -0.14 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.68 2q4r n ARG 116 Cb 0.57 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.81 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 0.23 -0.60 -0.13 0.00 -1.26 -4.95 107.32 100.61 2q4r s GLY 117 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 2q4r s GLY 117 CO 0.00 -0.57 0.52 2.41 0.00 0.00 0.00 173.10 175.46 2q4r n THR 118 N -0.28 -5.27 0.28 0.90 -1.04 -1.26 -1.87 114.28 105.73 2q4r n THR 118 Ca -0.08 -0.69 0.13 0.00 -2.04 0.00 0.00 64.05 61.37 2q4r n THR 118 Cb 0.63 -4.83 0.27 0.00 -1.82 0.00 0.00 70.33 64.58 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 -0.67 0.00 -3.10 -1.42 0.04 -1.93 -1.66 116.94 108.21 2q4r h PHE 119 Ca -0.34 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.09 2q4r h PHE 119 Cb 1.18 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.95 2q4r h PHE 119 CO 0.18 0.00 -0.68 0.42 -0.60 0.00 0.00 178.31 177.63 2q4r s ILE 120 N -3.26 -0.20 -0.22 -0.55 1.01 -1.26 -1.39 121.20 115.33 2q4r s ILE 120 Ca 0.07 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 2q4r s ILE 120 Cb 0.06 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 2q4r s ILE 120 CO 0.64 0.07 -0.02 -0.70 0.00 0.00 0.00 174.94 174.93 2q4r s GLU 121 N 2.24 3.48 -0.15 2.79 2.12 0.40 -4.98 118.70 124.61 2q4r s GLU 121 Ca 0.04 -0.58 -0.21 0.00 0.36 0.00 0.00 54.97 54.58 2q4r s GLU 121 Cb -0.13 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 2q4r s GLU 121 CO -0.06 -0.12 0.63 0.12 -0.54 0.00 0.00 175.26 175.29 2q4r s PHE 122 N 1.33 3.46 0.12 5.30 5.36 -1.26 -0.97 117.98 131.32 2q4r s PHE 122 Ca 0.04 1.02 0.08 0.00 -0.96 0.00 0.00 56.93 57.11 2q4r s PHE 122 Cb -0.14 -2.76 -0.04 0.00 -0.34 0.00 0.00 43.02 39.73 2q4r s PHE 122 CO -0.00 -0.04 -0.19 1.03 -1.46 0.00 0.00 175.22 174.56 2q4r s ARG 123 N 1.39 1.14 0.46 10.12 0.52 -1.26 -5.00 118.95 126.31 2q4r s ARG 123 Ca 0.31 -1.24 0.23 0.00 -0.52 0.00 0.00 55.73 54.51 2q4r s ARG 123 Cb -0.16 -1.26 1.23 0.00 0.52 0.00 0.00 34.95 35.28 2q4r s ARG 123 CO 0.12 0.27 1.85 -0.91 0.02 0.00 0.00 175.30 176.66 2q4r h ASN 124 N 3.73 0.27 -0.19 0.23 2.35 -1.97 -3.43 115.58 116.57 2q4r h ASN 124 Ca -0.44 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2q4r h ASN 124 Cb 1.19 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2q4r h ASN 124 CO 0.45 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.93 2q4r n GLY 125 N -1.58 4.03 3.03 2.83 0.00 -1.26 -1.17 105.19 111.06 2q4r n GLY 125 Ca 0.20 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2q4r n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 127 N -2.52 4.02 -0.30 0.99 1.43 0.19 -4.53 118.68 117.96 2q4r s LEU 127 Ca 0.35 -1.78 -0.24 0.00 -1.03 0.00 0.00 54.13 51.43 2q4r s LEU 127 Cb 0.28 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2q4r s LEU 127 CO 0.08 -0.30 0.83 0.21 0.23 0.00 0.00 176.35 177.40 2q4r s ASN 128 N 1.03 6.72 -0.04 2.29 3.84 -0.14 -2.15 114.94 126.49 2q4r s ASN 128 Ca 0.02 0.77 -0.02 0.00 0.21 0.00 0.00 52.86 53.84 2q4r s ASN 128 Cb -0.19 -2.43 -0.04 0.00 -0.55 0.00 0.00 41.25 38.04 2q4r s ASN 128 CO -0.07 -0.63 0.07 -0.69 -2.79 0.00 0.00 177.10 172.98 2q4r s VAL 129 N 3.03 4.72 -0.17 -5.21 1.01 0.24 -0.45 120.40 123.56 2q4r s VAL 129 Ca 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2q4r s VAL 129 Cb -0.14 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.23 2q4r s VAL 129 CO 0.12 0.46 0.25 -0.55 0.00 0.00 0.00 175.10 175.38 2q4r s SER 130 N -1.40 0.80 0.39 3.32 0.15 -0.48 -0.65 113.70 115.83 2q4r s SER 130 Ca 0.19 0.20 0.07 0.00 0.70 0.00 0.00 55.95 57.10 2q4r s SER 130 Cb -0.12 0.58 0.81 0.00 -1.71 0.00 0.00 66.02 65.58 2q4r s SER 130 CO 0.09 -0.28 2.01 -0.65 1.20 0.00 0.00 173.24 175.61 2q4r h PRO 131 N 8.29 0.62 0.11 5.44 0.11 -1.84 -2.86 132.00 141.88 2q4r h PRO 131 Ca -0.16 -0.04 -0.30 0.00 0.11 0.00 0.00 66.00 65.61 2q4r h PRO 131 Cb 1.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2q4r h PRO 131 CO 0.21 0.41 -1.54 0.97 -0.21 0.00 0.00 178.00 177.85 2q4r h ILE 132 N 0.64 1.14 0.00 4.15 2.10 -1.84 -3.47 117.51 120.24 2q4r h ILE 132 Ca 0.23 -2.79 0.00 0.00 1.08 0.00 0.00 64.86 63.38 2q4r h ILE 132 Cb 0.11 2.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.58 2q4r h ILE 132 CO -0.06 0.81 0.00 0.61 -1.08 0.00 0.00 178.15 178.43 2q4r n GLY 133 N 1.66 3.02 0.03 8.18 0.00 -1.08 -0.29 105.19 116.72 2q4r n GLY 133 Ca -0.16 -1.29 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 1.12 0.04 -0.05 1.61 1.74 -0.62 -2.01 116.66 118.48 2q4r n ARG 134 Ca 0.00 0.44 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 2q4r n ARG 134 Cb 0.00 -1.59 0.42 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.67 1.74 -4.58 0.55 3.41 -0.78 -4.93 113.62 107.36 2q4r n SER 135 Ca 0.01 -1.65 -0.31 0.00 -0.26 0.00 0.00 58.87 56.66 2q4r n SER 135 Cb 0.07 -0.06 0.16 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.44 4.66 0.27 0.00 1.04 -1.26 -4.84 113.70 111.14 2q4r s SER 137 Ca 0.64 0.76 -0.03 0.00 0.48 0.00 0.00 55.95 57.81 2q4r s SER 137 Cb -0.22 -1.31 0.40 0.00 0.10 0.00 0.00 66.02 64.98 2q4r s SER 137 CO 0.61 -1.79 1.92 -0.61 0.98 0.00 0.00 173.24 174.34 2q4r h GLN 138 N -0.94 1.16 -0.32 4.02 -0.00 -1.99 0.19 115.11 117.23 2q4r h GLN 138 Ca -0.46 -0.07 -0.16 0.00 -0.00 0.00 0.00 58.65 57.96 2q4r h GLN 138 Cb 1.32 -0.26 -0.01 0.00 0.00 0.00 0.00 27.48 28.53 2q4r h GLN 138 CO 0.65 0.77 -0.44 0.93 0.00 0.00 0.00 178.83 180.74 2q4r h GLU 139 N 1.19 0.83 -0.83 1.69 3.07 -2.00 -2.71 114.58 115.82 2q4r h GLU 139 Ca 0.39 -0.46 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 2q4r h GLU 139 Cb 0.04 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 2q4r h GLU 139 CO -0.12 1.10 0.39 0.93 -1.40 0.00 0.00 179.01 179.90 2q4r h GLU 140 N 0.67 1.20 0.00 2.33 5.08 -1.70 -1.55 114.58 120.60 2q4r h GLU 140 Ca 0.04 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2q4r h GLU 140 Cb 1.01 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2q4r h GLU 140 CO 0.10 0.93 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.81 2q4r h ARG 141 N 1.18 0.00 0.55 2.33 2.43 -0.82 -2.55 114.38 117.51 2q4r h ARG 141 Ca 0.28 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2q4r h ARG 141 Cb 0.13 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2q4r h ARG 141 CO -0.03 0.13 -0.26 0.82 -1.51 0.00 0.00 179.97 179.12 2q4r h ILE 142 N 0.00 0.31 -0.66 1.20 1.08 -0.97 -0.67 117.51 117.80 2q4r h ILE 142 Ca -0.00 -0.38 0.11 0.00 -0.39 0.00 0.00 64.86 64.20 2q4r h ILE 142 Cb 0.25 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 34.34 2q4r h ILE 142 CO 0.02 0.04 0.25 -0.08 -0.69 0.00 0.00 178.15 177.69 2q4r h GLU 143 N -1.02 0.40 -0.30 2.37 4.81 -1.33 0.78 114.58 120.29 2q4r h GLU 143 Ca -0.08 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 2q4r h GLU 143 Cb 0.64 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2q4r h GLU 143 CO 0.12 0.27 -0.39 0.35 -0.73 0.00 0.00 179.01 178.63 2q4r h PHE 144 N 0.41 0.85 -0.78 0.92 3.57 -1.50 -1.47 116.94 118.94 2q4r h PHE 144 Ca 0.34 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2q4r h PHE 144 Cb 0.46 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 2q4r h PHE 144 CO -0.17 0.99 0.41 -0.92 -2.23 0.00 0.00 178.31 176.39 2q4r h TYR 145 N 0.59 1.09 -0.30 0.41 3.20 0.31 0.62 116.97 122.89 2q4r h TYR 145 Ca 0.05 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 2q4r h TYR 145 Cb 0.93 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2q4r h TYR 145 CO 0.05 0.77 -0.23 1.05 -1.64 0.00 0.00 178.16 178.16 2q4r h GLU 146 N 1.09 0.68 -0.83 1.82 4.11 -0.78 -0.50 114.58 120.18 2q4r h GLU 146 Ca 0.27 -0.34 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2q4r h GLU 146 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2q4r h GLU 146 CO -0.04 0.94 0.47 1.25 0.07 0.00 0.00 179.01 181.71 2q4r h LEU 147 N 0.43 1.02 0.53 3.06 5.85 -0.91 -2.16 115.31 123.13 2q4r h LEU 147 Ca 0.06 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2q4r h LEU 147 Cb 0.78 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2q4r h LEU 147 CO 0.06 0.81 -0.26 -0.78 -0.34 0.00 0.00 178.44 177.93 2q4r h ASP 148 N 1.15 -0.61 0.00 1.25 3.58 0.50 1.78 116.42 124.07 2q4r h ASP 148 Ca 0.29 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2q4r h ASP 148 Cb -0.00 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2q4r h ASP 148 CO -0.05 -0.35 0.00 0.29 -2.88 0.00 0.00 179.24 176.25 2q4r n LYS 149 N -5.36 0.36 -0.05 0.28 5.02 -0.22 0.15 118.16 118.35 2q4r n LYS 149 Ca -0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.10 2q4r n LYS 149 Cb 0.32 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 2q4r n LYS 149 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2q4r n LYS 150 N -0.98 0.22 0.00 1.97 4.81 -0.82 -4.74 118.16 118.62 2q4r n LYS 150 Ca 0.08 0.06 0.10 0.00 -0.87 0.00 0.00 58.31 57.68 2q4r n LYS 150 Cb 0.04 -1.10 -0.11 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.94 0.17 -3.31 1.64 -0.58 0.60 -5.01 120.64 111.21 2q4r n GLU 151 Ca -0.17 -0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.37 2q4r n GLU 151 Cb 0.66 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 30.13 2q4r n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2q4r n ASN 152 N -1.42 -3.95 0.16 1.62 4.13 0.40 -4.92 115.26 111.27 2q4r n ASN 152 Ca 0.04 -0.64 -0.06 0.00 1.68 0.00 0.00 54.58 55.60 2q4r n ASN 152 Cb 0.33 -5.04 -0.03 0.00 -1.54 0.00 0.00 39.78 33.50 2q4r n ASN 152 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2q4r h ILE 153 N -1.51 0.00 -0.37 2.41 1.08 -1.83 -2.12 117.51 115.18 2q4r h ILE 153 Ca -0.58 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 63.85 2q4r h ILE 153 Cb 1.32 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 2q4r h ILE 153 CO 0.46 0.00 0.25 0.03 -0.69 0.00 0.00 178.15 178.20 2q4r h ARG 154 N -0.47 0.41 -0.30 2.37 3.08 -1.93 -2.10 114.38 115.44 2q4r h ARG 154 Ca -0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2q4r h ARG 154 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2q4r h ARG 154 CO 0.07 0.27 -0.03 0.37 -1.07 0.00 0.00 179.97 179.58 2q4r h GLN 155 N 0.42 0.55 -0.24 0.04 4.15 -1.94 -0.63 115.11 117.45 2q4r h GLN 155 Ca 0.14 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 2q4r h GLN 155 Cb 0.06 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2q4r h GLN 155 CO -0.03 0.71 -0.11 -0.22 -1.93 0.00 0.00 178.83 177.25 2q4r h LYS 156 N 0.33 0.40 0.41 1.69 3.64 -0.97 -1.62 116.57 120.45 2q4r h LYS 156 Ca 0.08 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2q4r h LYS 156 Cb 0.48 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2q4r h LYS 156 CO 0.02 0.52 -0.19 0.35 -2.27 0.00 0.00 179.45 177.87 2q4r h PHE 157 N 0.38 -0.50 -0.02 1.91 3.04 -1.16 -1.07 116.94 119.51 2q4r h PHE 157 Ca 0.07 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.02 2q4r h PHE 157 Cb 0.43 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 2q4r h PHE 157 CO 0.01 -0.18 0.06 0.28 -2.02 0.00 0.00 178.31 176.47 2q4r h VAL 158 N -0.94 0.20 0.00 1.41 2.07 -1.03 -0.83 116.25 117.14 2q4r h VAL 158 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2q4r h VAL 158 Cb 0.55 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2q4r h VAL 158 CO 0.09 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.55 2q4r h ALA 159 N 1.90 0.02 -0.29 1.67 0.00 -1.16 -2.80 119.26 118.60 2q4r h ALA 159 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2q4r h ALA 159 Cb 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2q4r h ALA 159 CO -0.00 0.09 0.16 -0.44 0.00 0.00 0.00 179.25 179.06 2q4r h ASP 160 N -1.00 0.35 0.09 0.00 3.32 -0.75 -2.61 116.42 115.81 2q4r h ASP 160 Ca -0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2q4r h ASP 160 Cb 0.71 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2q4r h ASP 160 CO -0.02 0.28 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.67 2q4r h LEU 161 N 0.40 -0.10 -1.30 1.55 3.38 -1.30 -2.56 115.31 115.39 2q4r h LEU 161 Ca 0.11 -0.44 0.33 0.00 0.09 0.00 0.00 57.88 57.97 2q4r h LEU 161 Cb 0.01 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.67 2q4r h LEU 161 CO -0.02 0.42 0.71 -0.09 0.09 0.00 0.00 178.44 179.55 2q4r h ARG 162 N -0.65 0.28 0.02 1.13 2.43 -1.18 0.67 114.38 117.07 2q4r h ARG 162 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2q4r h ARG 162 Cb 0.53 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2q4r h ARG 162 CO 0.02 0.18 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.43 2q4r h LYS 163 N 0.29 -0.02 -0.90 0.20 3.64 -1.49 -2.93 116.57 115.34 2q4r h LYS 163 Ca 0.70 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 60.27 2q4r h LYS 163 Cb 1.87 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.63 2q4r h LYS 163 CO -0.40 0.71 0.59 1.49 -2.27 0.00 0.00 179.45 179.57 2q4r h GLU 164 N -0.81 0.45 -0.51 1.90 4.57 -0.52 -2.48 114.58 117.19 2q4r h GLU 164 Ca -0.00 -0.03 -0.33 0.00 -1.18 0.00 0.00 59.36 57.82 2q4r h GLU 164 Cb 0.74 -0.10 -0.22 0.00 -0.16 0.00 0.00 28.75 29.01 2q4r h GLU 164 CO 0.00 0.30 -0.29 1.19 -1.18 0.00 0.00 179.01 179.04 2q4r n PHE 165 N -4.54 1.72 -2.04 0.92 3.72 -0.15 -5.03 117.46 112.06 2q4r n PHE 165 Ca 0.19 -1.97 -0.41 0.00 -0.05 0.00 0.00 57.45 55.22 2q4r n PHE 165 Cb 0.66 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 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 -3.44 3.53 0.00 4.37 0.00 -0.94 -2.68 121.76 122.60 2q4r s ALA 166 Ca 0.48 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2q4r s ALA 166 Cb 0.41 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2q4r s ALA 166 CO -0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2q4r n GLY 167 N 0.88 1.10 0.59 0.00 0.00 -1.26 -4.90 105.19 101.59 2q4r n GLY 167 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2q4r n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4r n LYS 168 N -2.00 1.81 -2.94 1.61 4.76 -1.09 -4.95 118.16 115.35 2q4r n LYS 168 Ca 0.00 -1.19 -0.10 0.00 -2.87 0.00 0.00 58.31 54.15 2q4r n LYS 168 Cb 0.00 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.75 2q4r n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q4r n GLY 169 N 1.22 0.30 3.59 0.72 0.00 -1.26 -4.95 105.19 104.81 2q4r n GLY 169 Ca 0.18 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2q4r n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 170 N -3.71 3.15 -0.03 0.99 1.43 -1.26 -0.48 118.68 118.78 2q4r s LEU 170 Ca 0.23 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 2q4r s LEU 170 Cb -0.10 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2q4r s LEU 170 CO 0.31 0.27 -0.26 -0.89 0.23 0.00 0.00 176.35 176.01 2q4r s THR 171 N -1.03 2.07 0.32 5.49 2.01 0.75 -4.75 115.64 120.51 2q4r s THR 171 Ca 0.18 -1.09 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2q4r s THR 171 Cb -0.11 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 2q4r s THR 171 CO 0.08 0.58 0.21 -0.36 -0.69 0.00 0.00 174.62 174.44 2q4r s PHE 172 N -0.51 2.86 -0.30 4.92 0.08 -1.26 -1.65 117.98 122.12 2q4r s PHE 172 Ca 0.07 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 2q4r s PHE 172 Cb -0.11 -1.64 0.15 0.00 -0.57 0.00 0.00 43.02 40.85 2q4r s PHE 172 CO 0.00 0.32 0.76 0.45 -0.10 0.00 0.00 175.22 176.65 2q4r s SER 173 N -3.90 -0.99 -0.21 1.36 0.15 -0.54 -4.96 113.70 104.60 2q4r s SER 173 Ca 0.38 1.15 -0.16 0.00 0.70 0.00 0.00 55.95 58.02 2q4r s SER 173 Cb -0.05 2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 66.26 2q4r s SER 173 CO 0.25 -0.19 0.40 -0.63 1.20 0.00 0.00 173.24 174.27 2q4r s ILE 174 N 2.78 5.19 0.21 6.45 1.01 -1.26 0.39 121.20 135.96 2q4r s ILE 174 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 60.65 61.23 2q4r s ILE 174 Cb -0.11 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 2q4r s ILE 174 CO -0.18 0.24 0.41 -0.83 0.00 0.00 0.00 174.94 174.57 2q4r s GLY 175 N 1.11 0.42 0.00 6.18 0.00 -1.18 -5.01 107.32 108.84 2q4r s GLY 175 Ca 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2q4r s GLY 175 CO 0.08 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.14 2q4r n GLY 176 N -0.31 0.67 0.04 0.20 0.00 -1.26 -4.07 105.19 100.45 2q4r n GLY 176 Ca -0.05 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.19 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 0.84 0.00 1.61 6.02 -1.26 -4.80 117.38 119.79 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 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2q4r n GLN 177 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2q4r n ILE 178 N -2.33 0.20 -3.97 5.09 -0.00 -1.26 -4.44 119.36 112.65 2q4r n ILE 178 Ca -0.13 -0.25 -0.10 0.00 -0.00 0.00 0.00 62.75 62.27 2q4r n ILE 178 Cb 0.71 1.15 -0.07 0.00 -0.00 0.00 0.00 39.64 41.43 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 -0.20 0.03 0.05 7.28 1.04 -1.26 -3.96 113.70 116.69 2q4r s SER 179 Ca 0.00 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.55 2q4r s SER 179 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2q4r s SER 179 CO 0.00 -0.92 -0.07 0.72 0.98 0.00 0.00 173.24 173.95 2q4r s PHE 180 N -3.98 0.65 0.15 5.02 -0.12 0.18 -3.08 117.98 116.80 2q4r s PHE 180 Ca 0.19 -0.63 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 2q4r s PHE 180 Cb 0.03 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2q4r s PHE 180 CO 0.02 -0.13 0.23 -0.51 -0.05 0.00 0.00 175.22 174.78 2q4r s ASP 181 N -1.96 6.08 -0.11 1.98 1.01 0.16 -0.59 116.67 123.24 2q4r s ASP 181 Ca -0.05 0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.27 2q4r s ASP 181 Cb -0.06 -1.76 0.04 0.00 1.01 0.00 0.00 42.92 42.15 2q4r s ASP 181 CO -0.02 0.06 0.02 -0.69 0.21 0.00 0.00 175.17 174.75 2q4r s VAL 182 N -1.73 0.39 0.07 -1.27 1.01 -0.91 -1.46 120.40 116.48 2q4r s VAL 182 Ca 0.33 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 2q4r s VAL 182 Cb -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2q4r s VAL 182 CO 0.27 0.10 0.20 0.72 0.00 0.00 0.00 175.10 176.39 2q4r s PHE 183 N 1.95 0.10 0.50 5.22 -0.12 -0.66 -0.64 117.98 124.33 2q4r s PHE 183 Ca 0.03 -0.43 -0.23 0.00 -0.05 0.00 0.00 56.93 56.25 2q4r s PHE 183 Cb -0.14 -0.04 -0.06 0.00 -0.63 0.00 0.00 43.02 42.15 2q4r s PHE 183 CO -0.06 -0.50 1.41 -2.14 -0.05 0.00 0.00 175.22 173.88 2q4r s PRO 184 N -3.28 3.39 0.18 1.99 0.02 -1.26 -0.18 135.00 135.86 2q4r s PRO 184 Ca 0.00 2.36 -0.33 0.00 0.02 0.00 0.00 61.00 63.05 2q4r s PRO 184 Cb 0.02 -2.45 -0.15 0.00 0.02 0.00 0.00 34.50 31.94 2q4r s PRO 184 CO -0.08 -1.04 1.35 -0.25 -0.33 0.00 0.00 177.00 176.66 2q4r n ASP 185 N -0.63 2.21 -0.18 2.53 8.00 0.37 -1.73 116.55 127.12 2q4r n ASP 185 Ca 0.08 1.13 -0.02 0.00 0.71 0.00 0.00 54.79 56.68 2q4r n ASP 185 Cb 0.43 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.20 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 2.39 0.57 1.52 0.44 0.00 -1.26 -4.93 105.19 103.92 2q4r n GLY 186 Ca 0.15 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.90 1.54 -0.19 1.61 7.02 -0.71 -3.56 117.44 120.26 2q4r n TRP 187 Ca -0.02 -0.75 0.00 0.00 -1.02 0.00 0.00 57.50 55.71 2q4r n TRP 187 Cb 0.09 -0.47 0.00 0.00 -2.42 0.00 0.00 31.31 28.51 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 0.10 0.00 0.13 -0.99 5.75 -1.26 -4.85 116.55 115.43 2q4r n ASP 188 Ca 0.24 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 55.15 2q4r n ASP 188 Cb 0.99 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.56 2q4r n ASP 188 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2q4r n LYS 189 N 0.00 0.22 0.25 0.11 5.02 -1.26 -2.92 118.16 119.58 2q4r n LYS 189 Ca 0.00 0.39 0.09 0.00 -2.02 0.00 0.00 58.31 56.77 2q4r n LYS 189 Cb 0.00 -1.88 0.64 0.00 -0.02 0.00 0.00 35.03 33.77 2q4r n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q4r h ARG 190 N 0.00 0.00 -1.00 1.97 3.08 -1.84 -2.86 114.38 113.74 2q4r h ARG 190 Ca 0.00 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.32 2q4r h ARG 190 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 2q4r h ARG 190 CO 0.00 0.10 0.69 -0.92 -1.07 0.00 0.00 179.97 178.77 2q4r h TYR 191 N 0.00 0.23 0.00 3.04 3.20 -1.58 -1.08 116.97 120.78 2q4r h TYR 191 Ca -0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2q4r h TYR 191 Cb 0.19 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2q4r h TYR 191 CO 0.00 0.04 -0.21 0.00 -1.64 0.00 0.00 178.16 176.35 2q4r h LEU 193 N 0.00 0.00 -0.92 0.00 3.38 -1.39 -1.55 115.31 114.83 2q4r h LEU 193 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2q4r h LEU 193 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2q4r h LEU 193 CO 0.03 0.00 0.22 0.08 0.09 0.00 0.00 178.44 178.86 2q4r h ARG 194 N 0.00 1.01 0.00 1.13 0.11 -1.73 0.51 114.38 115.41 2q4r h ARG 194 Ca 0.01 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.90 2q4r h ARG 194 Cb 0.08 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.00 2q4r h ARG 194 CO -0.00 0.86 0.00 0.72 0.10 0.00 0.00 179.97 181.65 2q4r n HIS 195 N -4.28 0.00 0.00 4.08 8.25 -0.58 -3.80 115.22 118.89 2q4r n HIS 195 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2q4r n HIS 195 Cb 0.21 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.26 0.00 -0.29 1.59 0.24 -0.60 -4.87 118.33 113.15 2q4r n VAL 196 Ca 0.09 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.50 2q4r n VAL 196 Cb 0.13 -0.66 0.27 0.00 -1.47 0.00 0.00 33.84 32.11 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 0.37 -1.94 7.34 4.11 -0.12 -2.35 114.58 121.98 2q4r h GLU 197 Ca 0.00 -0.02 -0.46 0.00 0.07 0.00 0.00 59.36 58.95 2q4r h GLU 197 Cb 0.69 -0.08 -0.17 0.00 0.50 0.00 0.00 28.75 29.69 2q4r h GLU 197 CO 0.00 0.24 0.34 0.09 0.07 0.00 0.00 179.01 179.76 2q4r n ASN 198 N -5.06 6.39 -0.17 3.06 3.02 -1.26 -4.17 115.26 117.07 2q4r n ASN 198 Ca 0.20 -3.14 0.03 0.00 -0.03 0.00 0.00 54.58 51.63 2q4r n ASN 198 Cb 0.59 -1.22 0.04 0.00 -0.61 0.00 0.00 39.78 38.57 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 0.91 1.02 0.00 6.41 8.00 -0.89 -5.03 116.55 126.98 2q4r n ASP 199 Ca 0.46 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.92 2q4r n ASP 199 Cb 0.58 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.47 2.98 2.75 0.44 0.00 -1.26 -4.98 105.19 104.64 2q4r n GLY 200 Ca 0.04 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.56 2q4r n GLY 200 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q4r n TYR 201 N -1.31 1.18 -0.30 1.61 4.01 -1.26 -4.77 117.16 116.31 2q4r n TYR 201 Ca 0.00 0.77 -0.05 0.00 -0.16 0.00 0.00 57.90 58.46 2q4r n TYR 201 Cb 0.00 -1.74 0.07 0.00 -0.31 0.00 0.00 39.34 37.36 2q4r n TYR 201 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2q4r h LYS 202 N 5.09 1.17 -3.90 -0.72 1.63 0.29 -3.44 116.57 116.70 2q4r h LYS 202 Ca -0.24 -0.18 -0.18 0.00 -0.85 0.00 0.00 60.65 59.20 2q4r h LYS 202 Cb 1.07 -0.21 -0.22 0.00 -0.60 0.00 0.00 32.23 32.28 2q4r h LYS 202 CO 0.79 0.91 -0.69 0.99 -3.45 0.00 0.00 179.45 178.01 2q4r s THR 203 N -5.67 0.09 -0.23 1.00 2.01 -1.24 -5.05 115.64 106.55 2q4r s THR 203 Ca -0.13 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 2q4r s THR 203 Cb 0.16 -0.22 0.07 0.00 0.01 0.00 0.00 72.50 72.51 2q4r s THR 203 CO 0.83 -0.39 0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 2q4r s ILE 204 N -1.17 1.01 0.16 1.82 1.01 -1.26 -2.47 121.20 120.31 2q4r s ILE 204 Ca -0.13 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 2q4r s ILE 204 Cb -0.08 -1.46 -0.07 0.00 0.01 0.00 0.00 42.46 40.87 2q4r s ILE 204 CO -0.01 -0.23 0.50 -0.31 0.00 0.00 0.00 174.94 174.89 2q4r s TYR 205 N 1.62 3.52 -0.05 3.97 2.02 -1.04 -4.32 117.35 123.07 2q4r s TYR 205 Ca -0.01 0.89 0.03 0.00 -0.37 0.00 0.00 57.07 57.60 2q4r s TYR 205 Cb -0.18 -2.25 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 2q4r s TYR 205 CO -0.09 0.39 -0.12 0.12 -1.57 0.00 0.00 175.55 174.27 2q4r s PHE 206 N -1.60 1.33 -0.09 2.71 5.36 -1.25 -0.85 117.98 123.58 2q4r s PHE 206 Ca 0.41 -0.42 0.04 0.00 -0.96 0.00 0.00 56.93 56.00 2q4r s PHE 206 Cb -0.13 -0.95 -0.00 0.00 -0.34 0.00 0.00 43.02 41.59 2q4r s PHE 206 CO 0.20 -0.20 -0.24 -0.06 -1.46 0.00 0.00 175.22 173.47 2q4r s PHE 207 N 0.40 2.48 -2.03 10.12 0.08 -0.58 -0.68 117.98 127.77 2q4r s PHE 207 Ca -0.09 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.01 2q4r s PHE 207 Cb -0.13 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 2q4r s PHE 207 CO 0.02 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.18 2q4r n GLY 208 N 3.41 -0.79 3.29 4.36 0.00 -1.01 -0.21 105.19 114.24 2q4r n GLY 208 Ca -0.19 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.52 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 6.49 0.56 1.61 1.01 -1.26 -0.06 116.67 121.02 2q4r s ASP 209 Ca 0.00 -2.72 0.30 0.00 0.71 0.00 0.00 52.55 50.84 2q4r s ASP 209 Cb 0.00 -2.15 1.02 0.00 1.01 0.00 0.00 42.92 42.80 2q4r s ASP 209 CO 0.00 -0.54 1.27 2.29 0.21 0.00 0.00 175.17 178.40 2q4r n LYS 210 N 3.89 0.01 -4.04 8.23 2.85 -1.26 -4.80 118.16 123.04 2q4r n LYS 210 Ca 0.13 0.97 -0.35 0.00 -1.05 0.00 0.00 58.31 58.01 2q4r n LYS 210 Cb 0.45 -2.39 -0.08 0.00 -0.65 0.00 0.00 35.03 32.36 2q4r n LYS 210 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2q4r s THR 211 N -4.39 4.94 0.13 0.58 2.01 -1.26 -1.18 115.64 116.47 2q4r s THR 211 Ca -0.03 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 2q4r s THR 211 Cb 0.16 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2q4r s THR 211 CO 0.52 0.54 1.63 -1.13 -0.69 0.00 0.00 174.62 175.49 2q4r h ASN 216 N 5.82 -0.80 -3.47 3.53 -1.24 -2.03 -3.45 115.58 113.93 2q4r h ASN 216 Ca -0.46 0.11 -0.53 0.00 0.71 0.00 0.00 56.30 56.13 2q4r h ASN 216 Cb 1.19 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 40.55 2q4r h ASN 216 CO 0.63 -0.33 0.32 -0.62 -1.29 0.00 0.00 177.43 176.15 2q4r s ASP 217 N -4.91 7.37 -0.40 1.15 -1.08 -1.26 -5.02 116.67 112.52 2q4r s ASP 217 Ca -0.15 1.65 -0.19 0.00 -0.52 0.00 0.00 52.55 53.34 2q4r s ASP 217 Cb 0.10 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 39.02 2q4r s ASP 217 CO 0.66 -0.14 0.55 -2.28 0.52 0.00 0.00 175.17 174.47 2q4r s HIS 218 N 0.49 3.13 0.30 -5.34 5.65 -0.32 -4.96 115.29 114.24 2q4r s HIS 218 Ca 0.47 -0.05 0.05 0.00 0.25 0.00 0.00 55.06 55.78 2q4r s HIS 218 Cb -0.22 -3.08 0.68 0.00 -1.18 0.00 0.00 32.58 28.78 2q4r s HIS 218 CO 0.27 -0.71 1.80 0.93 -0.65 0.00 0.00 174.74 176.39 2q4r h GLU 219 N 8.69 0.82 -0.27 2.88 3.07 -1.95 -1.11 114.58 126.71 2q4r h GLU 219 Ca -0.26 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.51 2q4r h GLU 219 Cb 1.11 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 2q4r h GLU 219 CO 0.83 0.54 0.00 0.97 -1.40 0.00 0.00 179.01 179.95 2q4r h ILE 220 N 0.84 1.16 -0.67 3.13 2.10 -1.92 1.24 117.51 123.39 2q4r h ILE 220 Ca 0.54 -0.64 -0.08 0.00 1.08 0.00 0.00 64.86 65.77 2q4r h ILE 220 Cb 0.75 0.96 -0.03 0.00 -1.09 0.00 0.00 36.82 37.41 2q4r h ILE 220 CO -0.32 0.22 0.12 0.15 -1.08 0.00 0.00 178.15 177.23 2q4r h PHE 221 N 0.39 1.17 -0.01 2.19 3.57 -1.58 -3.06 116.94 119.62 2q4r h PHE 221 Ca 0.09 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2q4r h PHE 221 Cb 0.26 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2q4r h PHE 221 CO 0.01 0.97 -0.66 0.25 -2.23 0.00 0.00 178.31 176.65 2q4r n THR 222 N -4.22 0.00 -1.58 4.41 -2.24 -0.75 -3.99 114.28 105.92 2q4r n THR 222 Ca 0.05 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 2q4r n THR 222 Cb 0.28 0.93 0.03 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.85 0.47 0.24 3.42 -0.08 0.42 -4.90 116.55 115.27 2q4r n ASP 223 Ca 0.07 0.87 0.07 0.00 -1.51 0.00 0.00 54.79 54.29 2q4r n ASP 223 Cb 0.38 -1.32 0.58 0.00 2.34 0.00 0.00 41.12 43.10 2q4r n ASP 223 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2q4r h PRO 224 N 0.78 0.00 0.00 -0.67 0.13 -1.90 -3.01 132.00 127.33 2q4r h PRO 224 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2q4r h PRO 224 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2q4r h PRO 224 CO 0.52 0.13 -0.02 0.54 -0.23 0.00 0.00 178.00 178.94 2q4r n ARG 225 N -4.28 0.04 0.00 0.86 3.00 -1.26 -5.13 116.66 109.89 2q4r n ARG 225 Ca -0.03 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2q4r n ARG 225 Cb 0.20 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.12 2q4r n ARG 225 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2q4r n THR 226 N -1.61 0.00 -3.64 0.55 -2.24 -1.14 -4.36 114.28 101.83 2q4r n THR 226 Ca 0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.81 2q4r n THR 226 Cb 0.35 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.15 -0.08 3.38 0.00 -1.26 -4.86 107.32 104.65 2q4r s GLY 228 Ca 0.00 3.21 0.02 0.00 0.00 0.00 0.00 44.72 47.95 2q4r s GLY 228 CO 0.00 2.17 -0.15 -0.19 0.00 0.00 0.00 173.10 174.94 2q4r s TYR 229 N 0.53 1.74 0.03 1.90 2.02 0.14 -4.94 117.35 118.77 2q4r s TYR 229 Ca 0.00 -0.69 -0.28 0.00 -0.37 0.00 0.00 57.07 55.73 2q4r s TYR 229 Cb -0.04 -1.24 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 2q4r s TYR 229 CO -0.11 -0.34 0.87 -1.54 -1.57 0.00 0.00 175.55 172.85 2q4r s SER 230 N 0.69 7.30 0.01 2.29 1.04 -1.26 -2.40 113.70 121.37 2q4r s SER 230 Ca -0.14 1.56 0.05 0.00 0.48 0.00 0.00 55.95 57.91 2q4r s SER 230 Cb -0.16 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 2q4r s SER 230 CO 0.04 -0.11 -0.15 0.68 0.98 0.00 0.00 173.24 174.68 2q4r s VAL 231 N 0.42 3.04 -0.14 5.02 -7.23 0.91 -4.88 120.40 117.55 2q4r s VAL 231 Ca 0.45 -0.99 0.16 0.00 -1.81 0.00 0.00 61.98 59.79 2q4r s VAL 231 Cb -0.21 -2.27 -0.22 0.00 0.56 0.00 0.00 36.38 34.24 2q4r s VAL 231 CO 0.25 0.41 0.12 0.35 -0.31 0.00 0.00 175.10 175.93 2q4r n THR 232 N 1.73 0.92 -3.54 5.32 -2.24 -1.26 -4.47 114.28 110.75 2q4r n THR 232 Ca -0.16 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 60.89 2q4r n THR 232 Cb 0.52 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.57 -1.89 0.39 6.98 0.00 -1.26 -4.93 121.76 118.48 2q4r s ALA 233 Ca -0.08 1.24 0.17 0.00 0.00 0.00 0.00 51.96 53.29 2q4r s ALA 233 Cb 0.06 0.08 1.05 0.00 0.00 0.00 0.00 23.12 24.31 2q4r s ALA 233 CO 0.70 -0.59 1.80 -1.35 0.00 0.00 0.00 175.76 176.32 2q4r h PRO 234 N 2.12 0.43 -0.49 0.00 0.11 -1.59 0.79 132.00 133.37 2q4r h PRO 234 Ca -0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 2q4r h PRO 234 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2q4r h PRO 234 CO 0.29 0.29 0.28 0.93 -0.21 0.00 0.00 178.00 179.58 2q4r h GLU 235 N 0.45 0.68 -0.24 1.05 3.07 -1.93 -0.43 114.58 117.22 2q4r h GLU 235 Ca 0.56 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.28 2q4r h GLU 235 Cb 1.33 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 2q4r h GLU 235 CO -0.27 0.52 -0.12 0.22 -1.40 0.00 0.00 179.01 177.96 2q4r h ASP 236 N 0.65 0.51 -0.84 1.42 3.58 -0.14 -1.88 116.42 119.72 2q4r h ASP 236 Ca 0.17 -0.41 0.13 0.00 0.42 0.00 0.00 57.03 57.34 2q4r h ASP 236 Cb 0.03 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 40.87 2q4r h ASP 236 CO -0.03 0.81 0.55 0.74 -2.88 0.00 0.00 179.24 178.43 2q4r h THR 237 N 0.22 0.87 -0.00 2.25 2.02 0.47 0.19 112.91 118.92 2q4r h THR 237 Ca 0.05 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.83 2q4r h THR 237 Cb 0.62 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2q4r h THR 237 CO 0.03 0.12 -0.79 0.03 0.37 0.00 0.00 175.52 175.28 2q4r h ARG 238 N 0.66 0.09 0.64 6.66 3.08 -0.90 -2.14 114.38 122.47 2q4r h ARG 238 Ca 0.41 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 2q4r h ARG 238 Cb 0.65 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.73 2q4r h ARG 238 CO -0.17 0.83 -0.31 -0.09 -1.07 0.00 0.00 179.97 179.16 2q4r h ARG 239 N 0.05 -0.83 -0.91 0.04 2.43 0.17 0.33 114.38 115.67 2q4r h ARG 239 Ca -0.02 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2q4r h ARG 239 Cb 1.39 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 31.08 2q4r h ARG 239 CO 0.11 -0.55 0.55 0.82 -1.51 0.00 0.00 179.97 179.38 2q4r h ILE 240 N -0.86 1.25 -0.61 1.20 2.04 -1.26 -0.89 117.51 118.38 2q4r h ILE 240 Ca -0.09 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 2q4r h ILE 240 Cb 0.66 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2q4r h ILE 240 CO 0.14 0.26 0.12 0.00 0.00 0.00 0.00 178.15 178.68 2q4r h GLU 242 N 0.92 0.00 0.00 0.00 4.57 0.44 0.27 114.58 120.77 2q4r h GLU 242 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2q4r h GLU 242 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2q4r h GLU 242 CO 0.00 0.22 -0.89 -0.11 -1.18 0.00 0.00 179.01 177.05 2q4r n LEU 243 N -3.70 0.78 -0.07 1.64 7.94 -0.41 -4.59 117.00 118.59 2q4r n LEU 243 Ca -0.01 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.04 2q4r n LEU 243 Cb 0.34 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.15 2q4r n LEU 243 CO 0.33 -0.12 -0.67 -0.11 -1.11 0.00 0.00 177.39 175.71 2q4r n LEU 244 N -2.42 1.74 0.00 -1.96 7.94 0.14 -5.03 117.00 117.41 2q4r n LEU 244 Ca 0.01 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 2q4r n LEU 244 Cb 0.50 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.79 2q4r n LEU 244 CO 0.39 -0.22 0.00 0.49 -1.11 0.00 0.00 177.39 176.94 2q4r n PHE 245 N -4.23 0.00 0.00 1.96 3.72 0.88 -5.07 117.46 114.72 2q4r n PHE 245 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 2q4r n PHE 245 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2q4r n PHE 245 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14