#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bqy h ARG 17 N 0.00 0.24 -0.66 -0.67 2.43 -1.99 -1.57 114.38 112.16 3bqy h ARG 17 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3bqy h ARG 17 Cb 0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3bqy h ARG 17 CO 0.00 0.16 0.31 0.00 -1.51 0.00 0.00 179.97 178.93 3bqy h ALA 18 N 1.19 0.86 -0.27 2.80 0.00 -2.02 -0.43 119.26 121.38 3bqy h ALA 18 Ca 0.13 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3bqy h ALA 18 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3bqy h ALA 18 CO -0.13 0.43 -0.41 -0.09 0.00 0.00 0.00 179.25 179.05 3bqy h ARG 19 N 0.92 0.66 -0.47 0.00 2.43 -1.99 -1.51 114.38 114.42 3bqy h ARG 19 Ca 0.23 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3bqy h ARG 19 Cb 0.13 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3bqy h ARG 19 CO -0.03 0.95 0.18 1.15 -1.51 0.00 0.00 179.97 180.71 3bqy h THR 20 N 0.54 1.21 -0.73 0.20 2.02 -1.00 -0.97 112.91 114.17 3bqy h THR 20 Ca 0.04 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3bqy h THR 20 Cb 0.94 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3bqy h THR 20 CO 0.09 0.25 0.38 0.58 0.37 0.00 0.00 175.52 177.18 3bqy h VAL 21 N 0.62 1.23 -0.34 3.16 2.07 -0.88 -1.00 116.25 121.10 3bqy h VAL 21 Ca 0.16 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3bqy h VAL 21 Cb 0.21 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3bqy h VAL 21 CO -0.01 0.26 0.06 -0.61 0.02 0.00 0.00 177.57 177.29 3bqy h GLN 22 N 1.02 0.56 -0.66 1.57 5.75 -1.11 -0.71 115.11 121.53 3bqy h GLN 22 Ca 0.26 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3bqy h GLN 22 Cb 0.07 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3bqy h GLN 22 CO -0.04 0.64 0.43 1.15 -2.65 0.00 0.00 178.83 178.36 3bqy h THR 23 N 0.40 1.13 -0.57 2.39 2.02 -1.01 -0.55 112.91 116.72 3bqy h THR 23 Ca 0.11 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3bqy h THR 23 Cb 0.34 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3bqy h THR 23 CO 0.01 0.16 0.35 0.00 0.37 0.00 0.00 175.52 176.40 3bqy h ALA 24 N 1.26 0.73 -0.87 6.16 0.00 -0.96 0.12 119.26 125.70 3bqy h ALA 24 Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3bqy h ALA 24 Cb -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3bqy h ALA 24 CO -0.08 0.21 0.47 -0.07 0.00 0.00 0.00 179.25 179.78 3bqy h LEU 25 N 0.77 1.08 -0.08 0.00 3.38 -0.79 0.21 115.31 119.89 3bqy h LEU 25 Ca 0.21 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3bqy h LEU 25 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3bqy h LEU 25 CO -0.04 0.87 -0.02 0.44 0.09 0.00 0.00 178.44 179.78 3bqy h ASP 26 N 1.22 -0.09 -0.86 -0.43 3.32 -0.57 -2.30 116.42 116.70 3bqy h ASP 26 Ca 0.31 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.42 3bqy h ASP 26 Cb 0.03 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3bqy h ASP 26 CO -0.05 -0.03 0.55 -0.07 -1.72 0.00 0.00 179.24 177.92 3bqy h LEU 27 N -0.01 0.91 -0.33 1.55 3.38 -0.63 -1.95 115.31 118.24 3bqy h LEU 27 Ca 0.04 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3bqy h LEU 27 Cb 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3bqy h LEU 27 CO -0.09 0.62 0.10 0.25 0.09 0.00 0.00 178.44 179.41 3bqy h LEU 28 N 1.06 0.09 -1.46 1.67 5.85 -0.78 -1.10 115.31 120.64 3bqy h LEU 28 Ca 0.35 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 3bqy h LEU 28 Cb 0.04 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3bqy h LEU 28 CO -0.13 0.09 -0.10 0.78 -0.34 0.00 0.00 178.44 178.74 3bqy h ASN 29 N 0.23 0.21 -0.06 1.25 2.35 -0.83 0.64 115.58 119.37 3bqy h ASN 29 Ca 0.15 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3bqy h ASN 29 Cb 0.14 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3bqy h ASN 29 CO -0.17 0.34 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.35 3bqy h GLU 30 N 0.22 0.28 0.00 0.81 5.08 -0.51 -3.41 114.58 117.05 3bqy h GLU 30 Ca 0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3bqy h GLU 30 Cb 0.32 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3bqy h GLU 30 CO 0.02 0.87 0.00 -1.13 -1.00 0.00 0.00 179.01 177.77 3bqy n SER 31 N -4.48 0.03 0.00 1.42 3.41 -0.58 -5.11 113.62 108.32 3bqy n SER 31 Ca -0.08 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 3bqy n SER 31 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3bqy n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bqy n GLY 32 N -0.01 -0.75 0.35 5.00 0.00 0.21 -4.39 105.19 105.61 3bqy n GLY 32 Ca 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 3bqy n GLY 32 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bqy h LEU 33 N 0.00 1.12 -2.26 0.99 5.85 -1.84 -2.97 115.31 116.20 3bqy h LEU 33 Ca 0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3bqy h LEU 33 Cb 0.00 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 3bqy h LEU 33 CO 0.00 0.96 -0.04 0.44 -0.34 0.00 0.00 178.44 179.46 3bqy h ASP 34 N 1.21 0.00 0.10 1.25 3.32 -1.98 -2.33 116.42 117.98 3bqy h ASP 34 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3bqy h ASP 34 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3bqy h ASP 34 CO -0.03 0.04 -0.57 0.35 -1.72 0.00 0.00 179.24 177.31 3bqy n THR 35 N -3.91 0.00 -2.35 0.35 -2.24 -1.13 -4.85 114.28 100.16 3bqy n THR 35 Ca -0.03 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3bqy n THR 35 Cb 0.12 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 3bqy n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3bqy s LEU 36 N -2.67 3.51 0.00 3.22 2.96 -0.88 -4.85 118.68 119.97 3bqy s LEU 36 Ca 0.16 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 3bqy s LEU 36 Cb 0.18 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.51 3bqy s LEU 36 CO 0.65 -1.56 0.00 0.35 -1.32 0.00 0.00 176.35 174.47 3bqy n THR 37 N 7.02 0.00 0.00 3.68 -2.24 -1.26 -5.01 114.28 116.47 3bqy n THR 37 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3bqy n THR 37 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3bqy n THR 37 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bqy n ARG 39 N 0.00 0.00 -0.20 -0.78 1.74 -1.26 -0.76 116.66 115.39 3bqy n ARG 39 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3bqy n ARG 39 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 3bqy n ARG 39 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3bqy h ARG 40 N 0.00 0.77 -0.64 5.56 9.65 -1.95 0.65 114.38 128.41 3bqy h ARG 40 Ca 0.00 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3bqy h ARG 40 Cb 0.00 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 3bqy h ARG 40 CO 0.00 0.51 0.35 1.25 2.80 0.00 0.00 179.97 184.88 3bqy h LEU 41 N 0.79 0.81 -0.59 3.80 5.85 -1.32 -0.99 115.31 123.66 3bqy h LEU 41 Ca 0.21 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3bqy h LEU 41 Cb -0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3bqy h LEU 41 CO -0.05 0.68 0.38 0.00 -0.34 0.00 0.00 178.44 179.11 3bqy h ALA 42 N 1.17 0.74 -0.46 1.25 0.00 -1.68 -2.83 119.26 117.45 3bqy h ALA 42 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3bqy h ALA 42 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3bqy h ALA 42 CO -0.04 0.19 0.28 1.96 0.00 0.00 0.00 179.25 181.64 3bqy h GLN 43 N 0.79 0.62 -0.08 0.00 4.20 -0.66 -0.51 115.11 119.47 3bqy h GLN 43 Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3bqy h GLN 43 Cb -0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.57 3bqy h GLN 43 CO -0.04 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 3bqy n ALA 44 N -2.25 0.94 -2.68 3.87 0.00 -0.40 -4.71 120.51 115.28 3bqy n ALA 44 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 3bqy n ALA 44 Cb 0.05 -0.92 0.07 0.00 0.00 0.00 0.00 19.45 18.65 3bqy n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3bqy n ASP 46 N 0.48 -1.63 -4.22 0.00 -0.08 -0.28 -5.10 116.55 105.73 3bqy n ASP 46 Ca 0.00 -2.19 -0.27 0.00 -1.51 0.00 0.00 54.79 50.82 3bqy n ASP 46 Cb 0.00 1.04 -0.08 0.00 2.34 0.00 0.00 41.12 44.42 3bqy n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3bqy s VAL 47 N 0.14 0.69 0.23 5.18 -7.23 -0.73 -5.15 120.40 113.52 3bqy s VAL 47 Ca 0.15 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.18 3bqy s VAL 47 Cb 0.27 -2.32 -0.08 0.00 0.56 0.00 0.00 36.38 34.82 3bqy s VAL 47 CO -0.06 0.00 0.63 -1.10 -0.31 0.00 0.00 175.10 174.25 3bqy s GLN 48 N -3.73 3.99 0.40 4.82 -1.52 -1.26 -4.45 119.66 117.91 3bqy s GLN 48 Ca 0.21 0.55 0.08 0.00 -1.95 0.00 0.00 55.36 54.25 3bqy s GLN 48 Cb 0.02 -2.72 0.87 0.00 -0.22 0.00 0.00 33.01 30.96 3bqy s GLN 48 CO 0.13 0.34 2.01 0.00 -0.25 0.00 0.00 175.29 177.52 3bqy h ALA 49 N 2.93 1.78 -0.90 6.09 0.00 -1.92 -0.25 119.26 126.99 3bqy h ALA 49 Ca -0.48 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.65 3bqy h ALA 49 Cb 1.18 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 3bqy h ALA 49 CO 0.66 0.15 0.33 0.78 0.00 0.00 0.00 179.25 181.17 3bqy h GLY 50 N 0.58 1.52 0.88 0.00 0.00 -2.00 -0.43 103.07 103.62 3bqy h GLY 50 Ca 0.22 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3bqy h GLY 50 CO -0.06 -0.36 0.28 0.00 0.00 0.00 0.00 176.54 176.40 3bqy h ALA 51 N 1.77 0.61 -0.39 3.60 0.00 -1.43 -2.77 119.26 120.66 3bqy h ALA 51 Ca 0.58 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.44 3bqy h ALA 51 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3bqy h ALA 51 CO -0.61 -0.03 0.04 -0.07 0.00 0.00 0.00 179.25 178.57 3bqy h LEU 52 N 0.56 0.56 -0.79 0.00 3.38 -1.14 -2.15 115.31 115.73 3bqy h LEU 52 Ca 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3bqy h LEU 52 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3bqy h LEU 52 CO -0.09 0.60 0.00 1.88 0.09 0.00 0.00 178.44 180.92 3bqy h TYR 53 N 0.57 0.00 0.00 1.13 0.05 -1.17 0.26 116.97 117.81 3bqy h TYR 53 Ca 0.12 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.78 3bqy h TYR 53 Cb 0.31 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 3bqy h TYR 53 CO 0.01 0.00 -0.62 0.00 -1.05 0.00 0.00 178.16 176.51 3bqy h ARG 54 N 0.00 0.00 0.04 4.88 3.08 -1.32 -3.33 114.38 117.73 3bqy h ARG 54 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 3bqy h ARG 54 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3bqy h ARG 54 CO 0.00 0.62 -1.92 0.66 -1.07 0.00 0.00 179.97 178.25 3bqy n TYR 55 N -3.52 0.92 -3.79 3.04 4.01 -0.64 -4.84 117.16 112.35 3bqy n TYR 55 Ca -0.00 0.27 -0.27 0.00 -0.16 0.00 0.00 57.90 57.75 3bqy n TYR 55 Cb 0.68 -1.15 -0.17 0.00 -0.31 0.00 0.00 39.34 38.39 3bqy n TYR 55 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3bqy s PHE 56 N -2.57 1.13 0.50 -0.72 0.08 -0.01 -5.02 117.98 111.37 3bqy s PHE 56 Ca -0.13 -0.75 0.15 0.00 0.12 0.00 0.00 56.93 56.32 3bqy s PHE 56 Cb 0.07 -1.05 1.20 0.00 -0.57 0.00 0.00 43.02 42.67 3bqy s PHE 56 CO 0.79 -0.54 2.11 0.00 -0.10 0.00 0.00 175.22 177.48 3bqy h ALA 57 N 8.23 2.00 -2.56 5.36 0.00 -1.85 -3.35 119.26 127.09 3bqy h ALA 57 Ca -0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3bqy h ALA 57 Cb 1.12 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 3bqy h ALA 57 CO 0.33 -0.02 -0.33 0.00 0.00 0.00 0.00 179.25 179.24 3bqy s ALA 58 N -5.15 -0.25 0.39 0.00 0.00 -1.26 -4.98 121.76 110.51 3bqy s ALA 58 Ca -0.06 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.35 3bqy s ALA 58 Cb 0.17 0.59 0.80 0.00 0.00 0.00 0.00 23.12 24.69 3bqy s ALA 58 CO 0.69 -0.56 2.00 -0.22 0.00 0.00 0.00 175.76 177.67 3bqy h LYS 59 N 2.66 0.64 -0.30 0.00 3.64 -2.00 -1.72 116.57 119.48 3bqy h LYS 59 Ca -0.33 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 3bqy h LYS 59 Cb 1.21 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3bqy h LYS 59 CO 0.53 0.42 0.20 0.37 -2.27 0.00 0.00 179.45 178.71 3bqy h GLN 60 N 0.66 0.35 -0.33 1.90 5.75 -1.98 0.27 115.11 121.74 3bqy h GLN 60 Ca 0.25 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.62 3bqy h GLN 60 Cb 0.16 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 3bqy h GLN 60 CO -0.07 0.23 -0.21 -0.44 -2.65 0.00 0.00 178.83 175.69 3bqy h ASP 61 N 0.36 0.75 -0.03 -0.69 3.32 -1.71 0.21 116.42 118.63 3bqy h ASP 61 Ca 0.12 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3bqy h ASP 61 Cb 0.03 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3bqy h ASP 61 CO -0.03 1.02 -0.00 0.25 -1.72 0.00 0.00 179.24 178.76 3bqy h LEU 62 N 0.49 -0.02 -0.89 1.55 5.85 -1.17 -1.58 115.31 119.55 3bqy h LEU 62 Ca 0.07 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3bqy h LEU 62 Cb 0.76 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3bqy h LEU 62 CO 0.06 -0.00 0.56 -0.07 -0.34 0.00 0.00 178.44 178.64 3bqy h LEU 63 N 0.01 0.89 -0.48 2.25 3.38 -0.84 -2.10 115.31 118.42 3bqy h LEU 63 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3bqy h LEU 63 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3bqy h LEU 63 CO -0.03 0.57 0.28 0.74 0.09 0.00 0.00 178.44 180.09 3bqy h THR 64 N 1.02 1.16 0.00 0.22 2.02 -0.81 -0.37 112.91 116.15 3bqy h THR 64 Ca 0.39 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3bqy h THR 64 Cb 0.16 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3bqy h THR 64 CO -0.17 0.17 0.00 0.00 0.37 0.00 0.00 175.52 175.89 3bqy n ALA 65 N -2.27 1.61 0.00 6.16 0.00 -0.61 -1.50 120.51 123.90 3bqy n ALA 65 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3bqy n ALA 65 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3bqy n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bqy n ALA 67 N 0.75 0.00 -0.22 0.00 0.00 -0.15 -1.30 120.51 119.59 3bqy n ALA 67 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3bqy n ALA 67 Cb 0.09 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.58 3bqy n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3bqy h GLU 68 N 0.00 1.01 -1.88 0.00 4.57 -1.53 -2.97 114.58 113.78 3bqy h GLU 68 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3bqy h GLU 68 Cb 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3bqy h GLU 68 CO 0.00 0.92 0.00 1.58 -1.18 0.00 0.00 179.01 180.33 3bqy n HIS 69 N -4.32 0.00 0.00 0.92 -0.00 -0.42 -3.32 115.22 108.09 3bqy n HIS 69 Ca 0.04 -0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.03 3bqy n HIS 69 Cb 0.25 -0.23 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 3bqy n HIS 69 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 3bqy n VAL 71 N 1.38 0.00 -1.63 3.57 0.24 -1.12 -4.92 118.33 115.84 3bqy n VAL 71 Ca 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 64.34 61.79 3bqy n VAL 71 Cb 0.12 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.44 3bqy n VAL 71 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3bqy n ASP 72 N 0.00 2.25 0.00 -1.34 2.03 -1.21 -1.67 116.55 116.61 3bqy n ASP 72 Ca 0.00 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.40 3bqy n ASP 72 Cb 0.00 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 3bqy n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bqy n GLY 73 N 3.09 2.72 0.25 0.27 0.00 -1.26 -4.88 105.19 105.38 3bqy n GLY 73 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3bqy n GLY 73 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3bqy h VAL 74 N 0.00 0.81 0.00 1.61 2.07 -1.67 -2.11 116.25 116.96 3bqy h VAL 74 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3bqy h VAL 74 Cb 0.00 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3bqy h VAL 74 CO 0.00 0.09 -0.04 0.00 0.02 0.00 0.00 177.57 177.64 3bqy h ALA 75 N 1.43 1.68 0.00 1.67 0.00 -1.84 -1.52 119.26 120.68 3bqy h ALA 75 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3bqy h ALA 75 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3bqy h ALA 75 CO -0.29 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 178.76 3bqy n ASP 76 N -4.12 0.25 0.26 0.00 8.00 -0.79 -3.20 116.55 116.95 3bqy n ASP 76 Ca -0.03 0.54 0.15 0.00 0.71 0.00 0.00 54.79 56.17 3bqy n ASP 76 Cb 0.13 -0.60 0.87 0.00 -0.02 0.00 0.00 41.12 41.49 3bqy n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bqy h ALA 77 N 2.59 1.66 0.00 2.24 0.00 -1.34 -2.19 119.26 122.22 3bqy h ALA 77 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3bqy h ALA 77 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3bqy h ALA 77 CO 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 179.25 178.85 3bqy h ALA 78 N 1.92 1.12 -0.70 0.00 0.00 -1.77 -3.42 119.26 116.41 3bqy h ALA 78 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3bqy h ALA 78 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bqy h ALA 78 CO -0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 3bqy n GLY 79 N -0.10 0.40 3.94 0.00 0.00 -0.82 -4.80 105.19 103.81 3bqy n GLY 79 Ca -0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 3bqy n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bqy s ALA 80 N -1.70 3.70 0.29 4.61 0.00 -1.26 -5.01 121.76 122.40 3bqy s ALA 80 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 3bqy s ALA 80 Cb 0.00 -2.13 -0.13 0.00 0.00 0.00 0.00 23.12 20.86 3bqy s ALA 80 CO 0.00 -0.08 1.15 2.41 0.00 0.00 0.00 175.76 179.24 3bqy n THR 81 N -1.84 1.82 0.00 0.00 -1.04 -1.26 -1.53 114.28 110.43 3bqy n THR 81 Ca -0.04 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 3bqy n THR 81 Cb 0.56 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 3bqy n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bqy n GLY 82 N 1.22 3.02 2.69 3.41 0.00 -1.26 -4.95 105.19 109.31 3bqy n GLY 82 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3bqy n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bqy n ASP 83 N 0.00 4.41 0.00 1.61 -0.08 -0.58 -4.73 116.55 117.18 3bqy n ASP 83 Ca 0.00 -2.80 0.00 0.00 -1.51 0.00 0.00 54.79 50.48 3bqy n ASP 83 Cb 0.00 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 41.84 3bqy n ASP 83 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3bqy n GLY 84 N 4.05 0.22 3.80 0.27 0.00 -1.26 -4.61 105.19 107.66 3bqy n GLY 84 Ca 0.55 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3bqy n GLY 84 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bqy s ASP 85 N -1.68 2.03 0.36 1.61 -4.77 -1.26 -4.72 116.67 108.25 3bqy s ASP 85 Ca 0.00 0.34 0.04 0.00 -3.30 0.00 0.00 52.55 49.62 3bqy s ASP 85 Cb 0.00 -0.40 0.68 0.00 -1.09 0.00 0.00 42.92 42.12 3bqy s ASP 85 CO 0.00 -3.41 2.00 4.11 0.70 0.00 0.00 175.17 178.58 3bqy h TRP 86 N -2.10 0.76 -0.35 2.11 5.08 -1.96 -1.17 115.95 118.32 3bqy h TRP 86 Ca -0.44 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 59.38 3bqy h TRP 86 Cb 1.25 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 3bqy h TRP 86 CO -1.81 0.46 -0.44 0.66 -1.28 0.00 0.00 178.44 176.03 3bqy h SER 87 N 0.80 0.99 -0.52 0.11 4.64 -1.97 -0.30 113.55 117.32 3bqy h SER 87 Ca 0.24 -0.49 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3bqy h SER 87 Cb -0.01 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 3bqy h SER 87 CO -0.06 1.28 0.13 -0.33 -0.87 0.00 0.00 176.83 176.98 3bqy h GLU 88 N 0.73 0.82 -0.36 4.77 5.08 -1.80 -0.09 114.58 123.73 3bqy h GLU 88 Ca 0.04 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 3bqy h GLU 88 Cb 1.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3bqy h GLU 88 CO 0.10 0.78 -0.32 0.00 -1.00 0.00 0.00 179.01 178.58 3bqy h ARG 89 N 0.72 0.79 -0.47 2.33 3.08 -1.11 -0.46 114.38 119.26 3bqy h ARG 89 Ca 0.16 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3bqy h ARG 89 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3bqy h ARG 89 CO 0.00 1.00 0.18 1.15 -1.07 0.00 0.00 179.97 181.22 3bqy h THR 90 N 0.67 1.21 -0.77 2.04 2.02 -0.97 -2.16 112.91 114.95 3bqy h THR 90 Ca 0.07 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3bqy h THR 90 Cb 0.86 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 3bqy h THR 90 CO 0.07 0.25 0.50 0.00 0.37 0.00 0.00 175.52 176.71 3bqy h ALA 91 N 1.02 0.98 -0.76 6.16 0.00 -0.74 -2.08 119.26 123.84 3bqy h ALA 91 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3bqy h ALA 91 Cb 0.22 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3bqy h ALA 91 CO -0.01 0.40 0.35 0.00 0.00 0.00 0.00 179.25 180.00 3bqy h ARG 92 N 1.05 1.09 -0.21 0.00 3.08 -0.81 0.25 114.38 118.82 3bqy h ARG 92 Ca 0.28 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3bqy h ARG 92 Cb -0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 3bqy h ARG 92 CO -0.06 0.85 0.11 -0.07 -1.07 0.00 0.00 179.97 179.73 3bqy h LEU 93 N 1.08 0.26 -0.36 3.04 3.38 -1.07 -0.41 115.31 121.23 3bqy h LEU 93 Ca 0.26 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3bqy h LEU 93 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3bqy h LEU 93 CO -0.03 0.29 0.13 0.00 0.09 0.00 0.00 178.44 178.92 3bqy h ALA 94 N 0.98 0.48 -0.85 1.53 0.00 -1.14 -1.26 119.26 119.00 3bqy h ALA 94 Ca 0.07 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3bqy h ALA 94 Cb 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3bqy h ALA 94 CO -0.01 0.10 0.55 0.00 0.00 0.00 0.00 179.25 179.89 3bqy h ARG 95 N 0.44 1.06 -0.36 0.00 3.08 -0.88 -1.27 114.38 116.44 3bqy h ARG 95 Ca 0.12 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 3bqy h ARG 95 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3bqy h ARG 95 CO -0.01 0.70 -0.22 0.00 -1.07 0.00 0.00 179.97 179.37 3bqy h ALA 96 N 1.34 0.93 0.00 0.04 0.00 -0.90 0.19 119.26 120.87 3bqy h ALA 96 Ca 0.33 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bqy h ALA 96 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3bqy h ALA 96 CO -0.10 0.61 -0.00 1.25 0.00 0.00 0.00 179.25 181.01 3bqy h LEU 97 N 0.62 -0.00 -0.49 0.00 5.85 -0.86 -0.59 115.31 119.83 3bqy h LEU 97 Ca 0.09 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.75 3bqy h LEU 97 Cb 0.71 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 3bqy h LEU 97 CO 0.05 0.15 0.04 -0.09 -0.34 0.00 0.00 178.44 178.25 3bqy h ARG 98 N -0.15 0.15 -0.80 1.25 2.43 -1.06 -1.79 114.38 114.41 3bqy h ARG 98 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3bqy h ARG 98 Cb 0.15 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3bqy h ARG 98 CO 0.00 0.10 0.35 0.00 -1.51 0.00 0.00 179.97 178.91 3bqy h ALA 99 N 1.42 1.04 -0.43 2.80 0.00 -0.77 -0.03 119.26 123.29 3bqy h ALA 99 Ca 0.25 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3bqy h ALA 99 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3bqy h ALA 99 CO -0.38 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 3bqy h ALA 100 N 1.18 1.14 0.06 0.00 0.00 -0.69 -1.68 119.26 119.28 3bqy h ALA 100 Ca 0.27 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 3bqy h ALA 100 Cb 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3bqy h ALA 100 CO -0.03 0.55 -1.08 -0.07 0.00 0.00 0.00 179.25 178.63 3bqy h LEU 101 N 0.67 0.53 -1.84 0.00 3.38 -0.89 -3.19 115.31 113.97 3bqy h LEU 101 Ca 0.13 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3bqy h LEU 101 Cb 0.46 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3bqy h LEU 101 CO 0.02 1.31 -0.00 -0.07 0.09 0.00 0.00 178.44 179.78 3bqy h LEU 102 N 0.18 0.00 -0.64 1.67 3.38 -0.77 -3.03 115.31 116.09 3bqy h LEU 102 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3bqy h LEU 102 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3bqy h LEU 102 CO 0.18 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3bqy n ALA 103 N -2.09 1.57 -3.02 1.53 0.00 -0.65 -4.62 120.51 113.23 3bqy n ALA 103 Ca -0.00 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 3bqy n ALA 103 Cb 0.25 -1.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.20 3bqy n ALA 103 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3bqy s HIS 104 N -3.28 1.20 0.21 0.00 3.76 -1.14 -5.07 115.29 110.97 3bqy s HIS 104 Ca 0.04 -0.32 -0.32 0.00 -0.15 0.00 0.00 55.06 54.30 3bqy s HIS 104 Cb 0.09 -0.84 -0.13 0.00 1.11 0.00 0.00 32.58 32.81 3bqy s HIS 104 CO 0.33 -0.13 1.53 -2.13 -0.85 0.00 0.00 174.74 173.50 3bqy n ARG 105 N 3.28 2.24 -1.95 1.40 0.63 -1.26 -0.85 116.66 120.15 3bqy n ARG 105 Ca -0.18 0.80 -0.17 0.00 -0.92 0.00 0.00 57.85 57.38 3bqy n ARG 105 Cb 0.54 -2.54 -0.04 0.00 0.45 0.00 0.00 32.46 30.87 3bqy n ARG 105 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3bqy n ASP 106 N 2.84 -4.72 -0.28 6.15 8.00 -1.26 -4.69 116.55 122.58 3bqy n ASP 106 Ca 0.14 0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.84 3bqy n ASP 106 Cb 0.31 -4.11 0.06 0.00 -0.02 0.00 0.00 41.12 37.37 3bqy n ASP 106 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3bqy h GLY 107 N 0.00 1.16 1.22 0.44 0.00 -1.08 -2.37 103.07 102.44 3bqy h GLY 107 Ca -0.37 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 3bqy h GLY 107 CO 0.49 0.51 0.32 0.00 0.00 0.00 0.00 176.54 177.87 3bqy h ALA 108 N 1.22 1.25 -0.68 3.60 0.00 -1.83 -0.89 119.26 121.94 3bqy h ALA 108 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3bqy h ALA 108 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3bqy h ALA 108 CO -0.04 0.57 0.37 0.00 0.00 0.00 0.00 179.25 180.15 3bqy h ARG 109 N 1.00 0.94 -0.14 0.00 3.08 -1.86 0.23 114.38 117.63 3bqy h ARG 109 Ca 0.24 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3bqy h ARG 109 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3bqy h ARG 109 CO -0.03 0.71 0.03 0.28 -1.07 0.00 0.00 179.97 179.90 3bqy h VAL 110 N 0.93 1.20 -0.18 2.04 2.07 -1.01 -2.01 116.25 119.28 3bqy h VAL 110 Ca 0.24 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3bqy h VAL 110 Cb 0.04 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3bqy h VAL 110 CO -0.04 0.18 0.08 0.15 0.02 0.00 0.00 177.57 177.96 3bqy h PHE 111 N 0.02 0.27 -0.80 1.57 3.57 -1.00 -3.13 116.94 117.44 3bqy h PHE 111 Ca 0.04 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3bqy h PHE 111 Cb 0.25 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3bqy h PHE 111 CO 0.01 0.32 0.53 0.00 -2.23 0.00 0.00 178.31 176.93 3bqy h ALA 112 N 0.93 1.45 -0.26 2.41 0.00 -0.55 -2.67 119.26 120.57 3bqy h ALA 112 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bqy h ALA 112 Cb 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3bqy h ALA 112 CO -0.01 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.16 3bqy n GLY 113 N -1.41 0.77 3.79 0.00 0.00 -0.76 -4.99 105.19 102.58 3bqy n GLY 113 Ca 0.09 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3bqy n GLY 113 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bqy s THR 114 N -1.64 3.48 -0.48 2.61 -1.32 -1.01 -4.98 115.64 112.30 3bqy s THR 114 Ca 0.19 0.89 0.10 0.00 -1.21 0.00 0.00 61.69 61.66 3bqy s THR 114 Cb 0.11 -3.35 0.27 0.00 -1.51 0.00 0.00 72.50 68.02 3bqy s THR 114 CO 0.11 -0.23 1.21 1.41 -2.21 0.00 0.00 174.62 174.91 3bqy n HIS 115 N -1.28 0.40 -3.94 9.09 8.25 -1.26 -4.96 115.22 121.52 3bqy n HIS 115 Ca 0.10 -0.62 -0.09 0.00 -0.26 0.00 0.00 57.72 56.85 3bqy n HIS 115 Cb 0.52 -0.10 -0.08 0.00 1.12 0.00 0.00 29.99 31.45 3bqy n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bqy s ALA 116 N -1.53 0.01 -0.36 -1.41 0.00 -1.26 -5.12 121.76 112.08 3bqy s ALA 116 Ca 0.22 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 3bqy s ALA 116 Cb 0.15 0.62 0.09 0.00 0.00 0.00 0.00 23.12 23.98 3bqy s ALA 116 CO 0.09 -0.54 0.12 0.99 0.00 0.00 0.00 175.76 176.42 3bqy s THR 117 N -3.92 3.11 0.87 0.00 2.01 -1.26 -5.04 115.64 111.40 3bqy s THR 117 Ca 0.11 -1.83 -0.11 0.00 0.31 0.00 0.00 61.69 60.17 3bqy s THR 117 Cb 0.05 -3.02 0.16 0.00 0.01 0.00 0.00 72.50 69.70 3bqy s THR 117 CO -0.06 -0.47 1.20 -0.83 -0.69 0.00 0.00 174.62 173.77 3bqy s GLY 118 N 1.53 1.75 0.28 4.40 0.00 -1.26 -4.79 107.32 109.22 3bqy s GLY 118 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3bqy s GLY 118 CO -0.03 -0.59 1.83 -2.55 0.00 0.00 0.00 173.10 171.75 3bqy h PRO 119 N -1.23 0.92 -0.69 2.90 0.11 -1.98 0.80 132.00 132.83 3bqy h PRO 119 Ca -0.43 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3bqy h PRO 119 Cb 1.26 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3bqy h PRO 119 CO 0.43 0.61 0.25 -0.91 -0.21 0.00 0.00 178.00 178.17 3bqy h ASN 120 N 0.94 0.98 -0.09 -2.05 2.35 -1.92 0.12 115.58 115.91 3bqy h ASN 120 Ca 0.48 -0.19 -0.15 0.00 -0.55 0.00 0.00 56.30 55.90 3bqy h ASN 120 Cb 0.49 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.61 3bqy h ASN 120 CO -0.27 0.90 -0.52 0.74 -1.65 0.00 0.00 177.43 176.64 3bqy h THR 121 N 1.00 1.37 -0.71 2.81 2.02 -1.74 -2.44 112.91 115.22 3bqy h THR 121 Ca 0.23 -1.85 0.05 0.00 0.77 0.00 0.00 66.41 65.60 3bqy h THR 121 Cb 0.25 2.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 3bqy h THR 121 CO -0.01 0.56 0.43 -0.07 0.37 0.00 0.00 175.52 176.79 3bqy h LEU 122 N 0.10 0.68 -0.75 2.58 3.38 -0.72 -0.46 115.31 120.11 3bqy h LEU 122 Ca -0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3bqy h LEU 122 Cb 1.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3bqy h LEU 122 CO 0.11 0.45 0.39 0.03 0.09 0.00 0.00 178.44 179.51 3bqy h ARG 123 N 0.81 1.07 -0.11 1.13 3.08 -0.74 0.96 114.38 120.57 3bqy h ARG 123 Ca 0.30 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3bqy h ARG 123 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3bqy h ARG 123 CO -0.14 0.82 0.07 0.35 -1.07 0.00 0.00 179.97 179.99 3bqy h PHE 124 N 1.05 0.15 -0.12 3.04 3.57 -0.97 0.04 116.94 123.70 3bqy h PHE 124 Ca 0.26 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3bqy h PHE 124 Cb 0.08 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3bqy h PHE 124 CO 0.00 0.12 -0.02 0.00 -2.23 0.00 0.00 178.31 176.19 3bqy h ALA 125 N 1.01 0.17 -0.82 2.41 0.00 -0.77 -0.81 119.26 120.45 3bqy h ALA 125 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3bqy h ALA 125 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3bqy h ALA 125 CO -0.01 -0.11 0.54 0.22 0.00 0.00 0.00 179.25 179.89 3bqy h ASP 126 N -0.07 0.95 -0.25 0.00 3.58 -0.82 -1.37 116.42 118.43 3bqy h ASP 126 Ca 0.03 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 3bqy h ASP 126 Cb 0.42 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3bqy h ASP 126 CO 0.01 0.69 0.09 1.23 -2.88 0.00 0.00 179.24 178.38 3bqy h GLY 127 N 1.11 0.42 0.89 -0.78 0.00 -0.74 0.57 103.07 104.54 3bqy h GLY 127 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3bqy h GLY 127 CO -0.06 0.22 -0.00 -2.00 0.00 0.00 0.00 176.54 174.70 3bqy h LEU 128 N 0.25 -0.01 -0.81 3.11 6.46 -0.97 -0.51 115.31 122.84 3bqy h LEU 128 Ca 0.08 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.77 3bqy h LEU 128 Cb 0.21 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 3bqy h LEU 128 CO -0.00 0.10 0.52 0.58 -0.62 0.00 0.00 178.44 179.01 3bqy h VAL 129 N -0.12 1.12 -0.68 1.05 2.07 -1.21 -2.74 116.25 115.74 3bqy h VAL 129 Ca -0.00 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3bqy h VAL 129 Cb 0.11 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3bqy h VAL 129 CO 0.00 0.18 0.45 1.23 0.02 0.00 0.00 177.57 179.45 3bqy h GLY 130 N 1.00 0.96 0.61 2.17 0.00 -0.61 0.25 103.07 107.45 3bqy h GLY 130 Ca 0.33 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.35 3bqy h GLY 130 CO -0.12 0.35 0.16 -2.08 0.00 0.00 0.00 176.54 174.85 3bqy h VAL 131 N 0.92 0.87 -0.07 4.60 2.07 -0.81 -0.43 116.25 123.40 3bqy h VAL 131 Ca 0.25 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3bqy h VAL 131 Cb -0.10 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3bqy h VAL 131 CO -0.05 0.06 -0.03 -0.07 0.02 0.00 0.00 177.57 177.49 3bqy h LEU 132 N 0.33 0.14 -0.60 2.57 3.38 -1.25 -2.49 115.31 117.40 3bqy h LEU 132 Ca 0.20 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3bqy h LEU 132 Cb 0.19 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3bqy h LEU 132 CO -0.21 0.53 0.32 0.03 0.09 0.00 0.00 178.44 179.21 3bqy h ARG 133 N -0.24 0.59 0.00 1.13 3.08 -0.83 -1.08 114.38 117.03 3bqy h ARG 133 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3bqy h ARG 133 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3bqy h ARG 133 CO 0.01 0.39 0.00 0.39 -1.07 0.00 0.00 179.97 179.69 3bqy n GLU 134 N -4.83 0.20 -0.11 0.04 1.02 -0.18 -1.76 120.64 115.01 3bqy n GLU 134 Ca 0.07 0.45 0.12 0.00 -0.02 0.00 0.00 57.16 57.77 3bqy n GLU 134 Cb 0.16 -1.89 0.24 0.00 -0.02 0.00 0.00 31.44 29.92 3bqy n GLU 134 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bqy n ALA 135 N -1.79 2.46 0.00 0.62 0.00 -0.65 -4.94 120.51 116.21 3bqy n ALA 135 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3bqy n ALA 135 Cb 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3bqy n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bqy n GLY 136 N 1.38 1.01 3.75 0.00 0.00 -0.72 -5.06 105.19 105.55 3bqy n GLY 136 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3bqy n GLY 136 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bqy s PHE 137 N -2.00 3.93 0.86 1.61 0.40 -0.50 -5.01 117.98 117.27 3bqy s PHE 137 Ca 0.00 1.89 -0.11 0.00 -0.60 0.00 0.00 56.93 58.10 3bqy s PHE 137 Cb 0.00 -3.02 0.11 0.00 0.51 0.00 0.00 43.02 40.62 3bqy s PHE 137 CO 0.00 0.33 1.09 0.20 0.70 0.00 0.00 175.22 177.54 3bqy s GLY 138 N -1.05 1.63 0.16 4.36 0.00 -1.26 -4.18 107.32 106.98 3bqy s GLY 138 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.95 3bqy s GLY 138 CO 0.33 0.45 1.65 -0.55 0.00 0.00 0.00 173.10 174.98 3bqy h ASP 139 N -1.42 -0.56 -0.26 1.64 3.32 -1.97 -0.79 116.42 116.38 3bqy h ASP 139 Ca -0.48 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3bqy h ASP 139 Cb 1.27 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 3bqy h ASP 139 CO 0.54 -0.20 0.16 1.23 -1.72 0.00 0.00 179.24 179.25 3bqy h GLY 140 N -0.10 0.38 0.98 2.75 0.00 -1.99 -1.48 103.07 103.61 3bqy h GLY 140 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3bqy h GLY 140 CO -0.42 0.16 0.29 -0.55 0.00 0.00 0.00 176.54 176.01 3bqy h ASP 141 N 0.33 0.69 -0.28 0.19 3.32 -1.86 -0.73 116.42 118.07 3bqy h ASP 141 Ca 0.09 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3bqy h ASP 141 Cb 0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3bqy h ASP 141 CO -0.02 0.59 0.04 0.00 -1.72 0.00 0.00 179.24 178.14 3bqy h ALA 142 N 1.12 0.37 -0.40 3.45 0.00 -1.01 0.74 119.26 123.53 3bqy h ALA 142 Ca 0.19 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3bqy h ALA 142 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3bqy h ALA 142 CO -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 179.25 179.24 3bqy h ALA 143 N 0.87 0.54 -0.37 0.00 0.00 -1.23 -2.16 119.26 116.91 3bqy h ALA 143 Ca 0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3bqy h ALA 143 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3bqy h ALA 143 CO 0.01 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 3bqy h ARG 144 N 0.55 0.58 -0.54 0.00 3.08 -1.06 -2.46 114.38 114.53 3bqy h ARG 144 Ca 0.11 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3bqy h ARG 144 Cb 0.53 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3bqy h ARG 144 CO 0.03 0.62 0.10 0.00 -1.07 0.00 0.00 179.97 179.65 3bqy h ALA 145 N 1.44 1.17 -0.25 0.04 0.00 -0.67 -1.23 119.26 119.75 3bqy h ALA 145 Ca 0.12 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3bqy h ALA 145 Cb 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3bqy h ALA 145 CO 0.01 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 181.01 3bqy h LEU 146 N 0.81 -0.24 -0.68 0.00 5.85 -0.91 0.50 115.31 120.64 3bqy h LEU 146 Ca 0.17 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3bqy h LEU 146 Cb 0.34 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3bqy h LEU 146 CO 0.00 -0.08 0.19 1.88 -0.34 0.00 0.00 178.44 180.09 3bqy h TYR 147 N -0.00 1.11 -0.20 1.25 0.05 -1.32 -0.14 116.97 117.72 3bqy h TYR 147 Ca 0.12 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3bqy h TYR 147 Cb 0.19 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3bqy h TYR 147 CO -0.25 0.90 0.07 0.77 -1.05 0.00 0.00 178.16 178.60 3bqy h SER 148 N 1.00 0.29 -0.21 3.88 0.02 -0.68 0.14 113.55 117.99 3bqy h SER 148 Ca 0.22 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3bqy h SER 148 Cb 0.33 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3bqy h SER 148 CO -0.00 0.40 -0.10 0.58 -1.14 0.00 0.00 176.83 176.56 3bqy h VAL 149 N 0.16 1.31 -0.32 2.27 2.07 -0.82 -0.68 116.25 120.24 3bqy h VAL 149 Ca 0.07 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 3bqy h VAL 149 Cb 0.20 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3bqy h VAL 149 CO -0.00 0.36 0.03 0.00 0.02 0.00 0.00 177.57 177.97 3bqy h ALA 150 N 0.70 0.43 -0.35 1.67 0.00 -0.97 0.01 119.26 120.75 3bqy h ALA 150 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3bqy h ALA 150 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3bqy h ALA 150 CO 0.03 0.16 -0.31 -0.91 0.00 0.00 0.00 179.25 178.22 3bqy h ASN 151 N 0.37 0.79 -0.32 0.00 2.35 -0.72 -0.36 115.58 117.68 3bqy h ASN 151 Ca 0.10 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 3bqy h ASN 151 Cb 0.40 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3bqy h ASN 151 CO 0.01 1.04 0.14 0.15 -1.65 0.00 0.00 177.43 177.12 3bqy h PHE 152 N 0.64 0.48 -0.33 1.19 3.57 -1.06 -0.78 116.94 120.66 3bqy h PHE 152 Ca 0.07 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3bqy h PHE 152 Cb 0.83 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3bqy h PHE 152 CO 0.04 0.45 0.21 1.15 -2.23 0.00 0.00 178.31 177.93 3bqy h THR 153 N 0.38 1.09 -0.13 4.41 2.02 -0.69 0.12 112.91 120.11 3bqy h THR 153 Ca 0.11 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3bqy h THR 153 Cb 0.16 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3bqy h THR 153 CO -0.01 0.09 0.05 0.58 0.37 0.00 0.00 175.52 176.59 3bqy h VAL 154 N 0.44 1.16 -0.52 3.16 2.07 -1.05 -1.13 116.25 120.37 3bqy h VAL 154 Ca 0.12 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3bqy h VAL 154 Cb -0.04 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3bqy h VAL 154 CO -0.03 0.14 0.29 1.23 0.02 0.00 0.00 177.57 179.23 3bqy h GLY 155 N 0.04 0.73 0.96 2.17 0.00 -0.96 0.71 103.07 106.73 3bqy h GLY 155 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3bqy h GLY 155 CO -0.00 0.16 0.19 0.84 0.00 0.00 0.00 176.54 177.73 3bqy h HIS 156 N 0.58 0.47 -0.28 5.60 6.17 -0.69 -2.29 115.15 124.71 3bqy h HIS 156 Ca 0.22 -0.01 -0.17 0.00 0.71 0.00 0.00 60.37 61.12 3bqy h HIS 156 Cb 0.07 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 29.84 3bqy h HIS 156 CO -0.08 0.37 -0.51 1.15 0.71 0.00 0.00 177.93 179.58 3bqy h THR 157 N 0.44 1.29 -0.39 6.26 2.02 -0.85 0.39 112.91 122.06 3bqy h THR 157 Ca 0.12 -1.70 0.06 0.00 0.77 0.00 0.00 66.41 65.66 3bqy h THR 157 Cb 0.06 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 3bqy h THR 157 CO -0.02 0.55 0.06 -0.07 0.37 0.00 0.00 175.52 176.41 3bqy h LEU 158 N 0.61 -0.02 -0.54 2.58 3.38 -0.82 0.58 115.31 121.07 3bqy h LEU 158 Ca 0.02 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3bqy h LEU 158 Cb 1.09 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3bqy h LEU 158 CO 0.11 0.02 -0.60 -0.33 0.09 0.00 0.00 178.44 177.73 3bqy h GLU 159 N 0.19 0.42 -0.37 1.13 4.39 -1.18 -0.63 114.58 118.53 3bqy h GLU 159 Ca 0.19 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3bqy h GLU 159 Cb 0.24 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3bqy h GLU 159 CO -0.26 0.90 0.21 1.49 -1.16 0.00 0.00 179.01 180.19 3bqy h GLU 160 N 0.32 0.51 -0.30 2.33 4.81 -0.65 -2.35 114.58 119.24 3bqy h GLU 160 Ca -0.00 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 3bqy h GLU 160 Cb 1.14 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3bqy h GLU 160 CO 0.10 0.40 -0.30 1.96 -0.73 0.00 0.00 179.01 180.45 3bqy h GLN 161 N 0.47 0.62 -0.91 1.92 4.20 -0.75 -2.35 115.11 118.32 3bqy h GLN 161 Ca 0.13 -0.27 0.05 0.00 0.06 0.00 0.00 58.65 58.62 3bqy h GLN 161 Cb 0.03 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 3bqy h GLN 161 CO -0.02 0.85 0.60 0.00 -0.67 0.00 0.00 178.83 179.58 3bqy h ALA 162 N 1.14 1.46 -0.10 3.87 0.00 -1.00 -2.01 119.26 122.62 3bqy h ALA 162 Ca 0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3bqy h ALA 162 Cb 0.78 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3bqy h ALA 162 CO 0.06 0.43 -0.55 0.00 0.00 0.00 0.00 179.25 179.20 3bqy h ALA 163 N 1.49 0.89 -0.00 0.00 0.00 -1.07 -2.77 119.26 117.79 3bqy h ALA 163 Ca 0.38 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3bqy h ALA 163 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3bqy h ALA 163 CO -0.13 0.69 -0.32 1.28 0.00 0.00 0.00 179.25 180.77 3bqy n LEU 164 N -3.92 0.34 -4.74 0.00 4.77 -0.91 -4.20 117.00 108.33 3bqy n LEU 164 Ca -0.02 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 3bqy n LEU 164 Cb 0.58 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3bqy n LEU 164 CO 0.44 0.08 1.10 -0.89 -1.33 0.00 0.00 177.39 176.79 3bqy s THR 165 N -2.97 2.69 -0.42 -5.08 2.01 -0.79 -4.88 115.64 106.20 3bqy s THR 165 Ca 0.13 0.58 -0.44 0.00 0.31 0.00 0.00 61.69 62.27 3bqy s THR 165 Cb 0.18 -3.37 -0.18 0.00 0.01 0.00 0.00 72.50 69.14 3bqy s THR 165 CO 0.63 0.09 1.75 -2.65 -0.69 0.00 0.00 174.62 173.75 3bqy n PRO 166 N 2.33 0.47 0.00 4.92 -0.02 -1.26 0.54 135.00 141.98 3bqy n PRO 166 Ca 0.07 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3bqy n PRO 166 Cb 0.40 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3bqy n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bqy n GLY 167 N 4.63 2.06 4.50 -1.23 0.00 -1.26 -4.99 105.19 108.90 3bqy n GLY 167 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3bqy n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bqy n GLY 168 N -2.00 -1.86 0.00 -0.02 0.00 0.19 -5.08 105.19 96.42 3bqy n GLY 168 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3bqy n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bqy n GLY 169 N 0.00 2.72 0.00 -0.02 0.00 -1.05 -4.75 105.19 102.09 3bqy n GLY 169 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3bqy n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bqy n GLY 170 N -1.55 0.55 0.25 -0.02 0.00 -1.26 -3.51 105.19 99.66 3bqy n GLY 170 Ca 0.00 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.59 3bqy n GLY 170 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bqy h PRO 171 N 0.00 0.00 -0.31 1.61 0.13 -2.01 -3.08 132.00 128.34 3bqy h PRO 171 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 3bqy h PRO 171 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 3bqy h PRO 171 CO 0.00 0.14 -0.65 1.28 -0.23 0.00 0.00 178.00 178.54 3bqy n LEU 172 N -3.52 3.54 -4.68 1.56 4.77 -1.26 -4.95 117.00 112.46 3bqy n LEU 172 Ca -0.01 -4.19 -0.46 0.00 -0.03 0.00 0.00 56.01 51.32 3bqy n LEU 172 Cb 0.29 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3bqy n LEU 172 CO 0.30 1.66 1.44 -0.67 -1.33 0.00 0.00 177.39 178.80 3bqy n ASP 173 N -0.91 3.59 -0.26 -1.43 -0.08 -1.17 -4.86 116.55 111.43 3bqy n ASP 173 Ca 0.28 0.99 -0.07 0.00 -1.51 0.00 0.00 54.79 54.49 3bqy n ASP 173 Cb 0.81 -1.44 -0.06 0.00 2.34 0.00 0.00 41.12 42.77 3bqy n ASP 173 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3bqy n GLU 174 N 5.88 -0.27 -0.19 -0.67 0.28 -1.26 -1.27 120.64 123.14 3bqy n GLU 174 Ca 0.20 1.08 -0.08 0.00 -0.16 0.00 0.00 57.16 58.20 3bqy n GLU 174 Cb 0.32 -1.59 0.02 0.00 1.43 0.00 0.00 31.44 31.62 3bqy n GLU 174 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3bqy h ALA 175 N 0.15 0.69 -0.30 -1.84 0.00 -1.89 -2.93 119.26 113.14 3bqy h ALA 175 Ca 0.10 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3bqy h ALA 175 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3bqy h ALA 175 CO -0.57 0.29 0.10 1.15 0.00 0.00 0.00 179.25 180.21 3bqy h THR 176 N 0.72 0.91 -0.38 0.00 2.02 -1.82 -2.74 112.91 111.62 3bqy h THR 176 Ca 0.18 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.35 3bqy h THR 176 Cb 0.18 0.67 -0.09 0.00 -1.74 0.00 0.00 68.15 67.16 3bqy h THR 176 CO -0.02 0.04 -0.35 -0.07 0.37 0.00 0.00 175.52 175.50 3bqy h LEU 177 N 0.23 -1.14 -0.82 2.58 3.38 -1.06 -2.91 115.31 115.56 3bqy h LEU 177 Ca 0.13 0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.49 3bqy h LEU 177 Cb 0.11 0.52 -0.15 0.00 0.09 0.00 0.00 40.66 41.23 3bqy h LEU 177 CO -0.14 -0.33 -0.01 -0.09 0.09 0.00 0.00 178.44 177.96 3bqy h ARG 178 N -0.28 0.08 0.06 1.13 2.43 -1.31 -2.15 114.38 114.34 3bqy h ARG 178 Ca 0.16 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.08 3bqy h ARG 178 Cb 0.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3bqy h ARG 178 CO -0.53 0.05 -1.10 0.93 -1.51 0.00 0.00 179.97 177.82 3bqy h GLU 179 N 0.08 0.18 0.00 0.20 5.08 -1.50 -3.18 114.58 115.43 3bqy h GLU 179 Ca 0.46 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3bqy h GLU 179 Cb 0.83 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3bqy h GLU 179 CO -0.74 1.10 -0.17 0.00 -1.00 0.00 0.00 179.01 178.20 3bqy h ALA 180 N 0.78 0.95 -2.61 3.43 0.00 -1.29 -3.46 119.26 117.06 3bqy h ALA 180 Ca -0.08 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 3bqy h ALA 180 Cb 1.82 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 3bqy h ALA 180 CO 0.17 0.21 0.01 0.08 0.00 0.00 0.00 179.25 179.72 3bqy s VAL 181 N -3.42 4.70 0.06 0.00 1.01 -0.85 -4.96 120.40 116.94 3bqy s VAL 181 Ca 0.03 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.16 3bqy s VAL 181 Cb 0.08 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3bqy s VAL 181 CO 0.64 0.34 -0.05 0.00 0.00 0.00 0.00 175.10 176.04 3bqy s ALA 182 N -1.36 0.58 0.36 5.51 0.00 -1.26 -4.99 121.76 120.59 3bqy s ALA 182 Ca 0.37 -1.03 0.21 0.00 0.00 0.00 0.00 51.96 51.51 3bqy s ALA 182 Cb -0.17 0.17 1.07 0.00 0.00 0.00 0.00 23.12 24.18 3bqy s ALA 182 CO 0.20 -0.21 1.94 0.00 0.00 0.00 0.00 175.76 177.69 3bqy h ALA 183 N 3.70 1.30 0.00 0.00 0.00 -1.91 0.00 119.26 122.36 3bqy h ALA 183 Ca -0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3bqy h ALA 183 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3bqy h ALA 183 CO 0.55 0.29 0.00 0.78 0.00 0.00 0.00 179.25 180.87 3bqy h GLY 184 N 1.12 0.00 0.00 0.00 0.00 -1.96 -3.27 103.07 98.96 3bqy h GLY 184 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bqy h GLY 184 CO 0.03 0.00 -0.86 -1.30 0.00 0.00 0.00 176.54 174.41 3bqy n THR 185 N -2.90 0.00 -3.46 4.70 -2.24 -1.04 -4.90 114.28 104.44 3bqy n THR 185 Ca 0.02 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 3bqy n THR 185 Cb 0.36 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 3bqy n THR 185 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3bqy n TYR 186 N -2.30 1.88 0.09 4.78 4.01 -0.04 -4.99 117.16 120.59 3bqy n TYR 186 Ca 0.00 -3.92 0.02 0.00 -0.16 0.00 0.00 57.90 53.84 3bqy n TYR 186 Cb 0.43 -0.40 0.36 0.00 -0.31 0.00 0.00 39.34 39.42 3bqy n TYR 186 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3bqy h PRO 187 N 4.60 0.31 -0.10 -0.72 0.13 -1.67 0.14 132.00 134.69 3bqy h PRO 187 Ca 0.17 -0.07 -0.19 0.00 -0.87 0.00 0.00 66.00 65.04 3bqy h PRO 187 Cb 0.77 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 3bqy h PRO 187 CO 0.65 0.43 -0.72 0.45 -0.23 0.00 0.00 178.00 178.58 3bqy h HIS 188 N 0.29 0.64 -0.50 1.56 3.86 -1.91 0.43 115.15 119.51 3bqy h HIS 188 Ca 0.06 -0.28 -0.13 0.00 -1.16 0.00 0.00 60.37 58.87 3bqy h HIS 188 Cb 0.39 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3bqy h HIS 188 CO 0.01 1.04 -0.18 -0.07 0.86 0.00 0.00 177.93 179.59 3bqy h LEU 189 N 0.33 1.02 -0.26 2.43 3.38 -1.82 -2.49 115.31 117.89 3bqy h LEU 189 Ca -0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3bqy h LEU 189 Cb 1.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3bqy h LEU 189 CO 0.13 1.17 0.17 0.00 0.09 0.00 0.00 178.44 180.00 3bqy h ALA 190 N 0.91 0.33 -0.24 1.53 0.00 -0.53 -1.08 119.26 120.18 3bqy h ALA 190 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3bqy h ALA 190 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3bqy h ALA 190 CO 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 179.25 179.08 3bqy h ALA 191 N 1.09 1.49 -0.52 0.00 0.00 -0.84 -2.84 119.26 117.64 3bqy h ALA 191 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3bqy h ALA 191 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3bqy h ALA 191 CO -0.02 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.84 3bqy n THR 192 N -4.31 0.84 -0.30 0.00 -2.24 -0.94 -4.70 114.28 102.62 3bqy n THR 192 Ca 0.00 -0.92 0.14 0.00 -2.27 0.00 0.00 64.05 61.00 3bqy n THR 192 Cb 0.23 0.65 0.31 0.00 -2.10 0.00 0.00 70.33 69.42 3bqy n THR 192 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3bqy h LEU 193 N 3.61 0.27 -0.79 3.22 3.38 -0.94 -0.11 115.31 123.94 3bqy h LEU 193 Ca 0.00 0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.28 3bqy h LEU 193 Cb 0.89 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 3bqy h LEU 193 CO 0.00 -0.04 0.36 -0.65 0.09 0.00 0.00 178.44 178.20 3bqy h PRO 194 N 0.35 0.50 -0.06 1.13 0.11 -1.85 -1.55 132.00 130.64 3bqy h PRO 194 Ca 0.57 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.61 3bqy h PRO 194 Cb 1.10 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3bqy h PRO 194 CO -0.56 0.33 -0.10 0.28 -0.21 0.00 0.00 178.00 177.75 3bqy h VAL 195 N 0.52 1.41 -0.74 3.15 2.07 -1.42 -2.59 116.25 118.65 3bqy h VAL 195 Ca 0.43 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.62 3bqy h VAL 195 Cb 0.64 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 3bqy h VAL 195 CO -0.38 0.38 0.49 -0.07 0.02 0.00 0.00 177.57 178.00 3bqy h LEU 196 N -0.33 0.75 -1.97 2.57 3.38 -1.13 -2.45 115.31 116.13 3bqy h LEU 196 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bqy h LEU 196 Cb 0.66 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3bqy h LEU 196 CO 0.02 0.51 0.00 0.35 0.09 0.00 0.00 178.44 179.41 3bqy n THR 197 N -4.46 0.35 -1.68 0.22 -2.24 -0.61 -4.26 114.28 101.59 3bqy n THR 197 Ca 0.10 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 60.83 3bqy n THR 197 Cb 0.15 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3bqy n THR 197 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3bqy n SER 198 N 1.20 2.74 -0.77 3.42 2.88 -0.93 -4.79 113.62 117.38 3bqy n SER 198 Ca 0.18 1.18 0.05 0.00 -1.33 0.00 0.00 58.87 58.95 3bqy n SER 198 Cb 0.54 -1.46 0.16 0.00 -0.75 0.00 0.00 64.21 62.71 3bqy n SER 198 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3bqy n THR 199 N 1.05 0.67 -2.09 2.46 -2.24 -1.26 -4.64 114.28 108.23 3bqy n THR 199 Ca 0.08 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 3bqy n THR 199 Cb 0.34 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3bqy n THR 199 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3bqy n ASP 200 N 0.44 4.79 -0.06 3.42 -0.08 -1.26 -4.73 116.55 119.08 3bqy n ASP 200 Ca 0.12 -3.01 0.02 0.00 -1.51 0.00 0.00 54.79 50.41 3bqy n ASP 200 Cb 0.39 -1.54 0.34 0.00 2.34 0.00 0.00 41.12 42.65 3bqy n ASP 200 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3bqy h PHE 201 N 5.78 0.64 -0.24 -0.67 0.04 -2.00 -2.55 116.94 117.95 3bqy h PHE 201 Ca 0.47 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.24 3bqy h PHE 201 Cb 0.62 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3bqy h PHE 201 CO 1.35 0.46 0.15 1.15 -0.60 0.00 0.00 178.31 180.82 3bqy h THR 202 N 0.67 1.07 -0.79 -1.55 2.02 -2.00 -0.01 112.91 112.32 3bqy h THR 202 Ca 0.17 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.27 3bqy h THR 202 Cb 0.03 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 3bqy h THR 202 CO -0.03 0.06 0.49 0.00 0.37 0.00 0.00 175.52 176.41 3bqy h ALA 203 N 1.08 1.06 -0.47 6.16 0.00 -1.89 -0.39 119.26 124.80 3bqy h ALA 203 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bqy h ALA 203 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3bqy h ALA 203 CO -0.02 0.25 0.27 0.45 0.00 0.00 0.00 179.25 180.20 3bqy h HIS 204 N 0.92 0.64 -0.14 0.00 -0.00 -1.06 -1.46 115.15 114.05 3bqy h HIS 204 Ca 0.33 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.69 3bqy h HIS 204 Cb 0.10 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 3bqy h HIS 204 CO -0.04 0.47 0.09 0.35 -0.00 0.00 0.00 177.93 178.79 3bqy h PHE 205 N 0.63 0.18 -0.84 2.45 3.57 -0.63 -1.86 116.94 120.44 3bqy h PHE 205 Ca 0.17 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3bqy h PHE 205 Cb 0.03 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3bqy h PHE 205 CO -0.02 0.14 0.55 0.93 -2.23 0.00 0.00 178.31 177.68 3bqy h GLU 206 N 0.16 1.06 -0.18 1.11 4.39 -0.92 -0.46 114.58 119.73 3bqy h GLU 206 Ca 0.05 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3bqy h GLU 206 Cb 0.01 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3bqy h GLU 206 CO -0.01 0.70 0.07 0.35 -1.16 0.00 0.00 179.01 178.96 3bqy h PHE 207 N 1.09 0.29 -0.70 4.33 3.57 -0.89 0.44 116.94 125.07 3bqy h PHE 207 Ca 0.32 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 3bqy h PHE 207 Cb -0.05 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3bqy h PHE 207 CO -0.00 0.36 0.16 0.78 -2.23 0.00 0.00 178.31 177.38 3bqy h GLY 208 N 0.13 1.22 1.01 2.40 0.00 -0.93 -0.86 103.07 106.04 3bqy h GLY 208 Ca 0.06 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 3bqy h GLY 208 CO -0.00 0.72 0.30 -2.00 0.00 0.00 0.00 176.54 175.56 3bqy h LEU 209 N 1.07 0.88 -0.87 3.11 5.85 -0.99 -1.94 115.31 122.42 3bqy h LEU 209 Ca 0.22 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3bqy h LEU 209 Cb 0.39 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3bqy h LEU 209 CO 0.00 0.78 0.11 -0.09 -0.34 0.00 0.00 178.44 178.91 3bqy h ARG 210 N 0.92 0.96 -0.12 1.25 2.43 -0.57 -0.45 114.38 118.80 3bqy h ARG 210 Ca 0.23 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3bqy h ARG 210 Cb 0.15 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3bqy h ARG 210 CO -0.03 0.87 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.18 3bqy h LEU 211 N 0.91 -0.19 -0.51 3.80 3.38 -0.82 -0.17 115.31 121.70 3bqy h LEU 211 Ca 0.19 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3bqy h LEU 211 Cb 0.37 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3bqy h LEU 211 CO 0.01 -0.08 0.32 -0.07 0.09 0.00 0.00 178.44 178.70 3bqy h LEU 212 N -0.05 0.54 -0.40 1.67 3.38 -1.03 0.31 115.31 119.73 3bqy h LEU 212 Ca 0.07 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3bqy h LEU 212 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3bqy h LEU 212 CO -0.15 0.38 -0.37 -0.07 0.09 0.00 0.00 178.44 178.32 3bqy h LEU 213 N 0.65 1.01 -0.71 1.67 3.38 -0.97 0.85 115.31 121.18 3bqy h LEU 213 Ca 0.19 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3bqy h LEU 213 Cb -0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3bqy h LEU 213 CO -0.07 1.26 0.43 0.44 0.09 0.00 0.00 178.44 180.60 3bqy h ASP 214 N 0.77 0.85 -0.49 -0.43 3.32 -0.91 0.14 116.42 119.68 3bqy h ASP 214 Ca 0.07 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bqy h ASP 214 Cb 0.97 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 3bqy h ASP 214 CO 0.09 0.66 0.30 1.23 -1.72 0.00 0.00 179.24 179.81 3bqy h GLY 215 N 0.97 0.71 1.05 2.75 0.00 -0.60 -1.03 103.07 106.93 3bqy h GLY 215 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3bqy h GLY 215 CO -0.05 0.28 0.53 1.41 0.00 0.00 0.00 176.54 178.71 3bqy h LEU 216 N 0.65 1.11 -1.07 3.11 3.38 -0.47 -1.28 115.31 120.74 3bqy h LEU 216 Ca 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3bqy h LEU 216 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3bqy h LEU 216 CO -0.03 0.86 0.42 -0.09 0.09 0.00 0.00 178.44 179.69 3bqy h ARG 217 N 1.26 1.07 -0.63 1.13 2.43 -0.57 0.06 114.38 119.14 3bqy h ARG 217 Ca 0.32 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3bqy h ARG 217 Cb -0.03 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 3bqy h ARG 217 CO -0.06 0.79 0.07 0.00 -1.51 0.00 0.00 179.97 179.26 3bqy h ALA 218 N 1.38 0.93 0.00 2.80 0.00 -0.44 -3.09 119.26 120.85 3bqy h ALA 218 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bqy h ALA 218 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3bqy h ALA 218 CO -0.04 0.66 -0.34 -0.39 0.00 0.00 0.00 179.25 179.13 3bqy h VAL 219 N 0.98 0.00 0.00 0.00 -1.51 -0.78 -3.51 116.25 111.42 3bqy h VAL 219 Ca 0.19 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3bqy h VAL 219 Cb 0.47 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3bqy h VAL 219 CO 0.02 0.00 0.00 -1.14 -1.23 0.00 0.00 177.57 175.22