#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qiy s THR 4 N 0.00 5.02 0.26 1.55 -4.23 -1.26 -4.96 115.64 112.01 2qiy s THR 4 Ca 0.00 -0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.32 2qiy s THR 4 Cb 0.00 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.20 2qiy s THR 4 CO 0.00 -0.65 1.88 1.62 -0.54 0.00 0.00 174.62 176.92 2qiy h VAL 5 N 0.60 1.24 -0.60 2.29 3.04 -2.05 -0.95 116.25 119.83 2qiy h VAL 5 Ca -0.48 -0.61 -0.00 0.00 -1.01 0.00 0.00 66.70 64.59 2qiy h VAL 5 Cb 1.21 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 2qiy h VAL 5 CO 0.62 0.27 0.37 -0.61 -1.01 0.00 0.00 177.57 177.21 2qiy h GLN 6 N 1.16 0.80 -0.23 4.17 4.15 -1.99 -1.23 115.11 121.94 2qiy h GLN 6 Ca 0.29 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.70 2qiy h GLN 6 Cb 0.03 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 2qiy h GLN 6 CO -0.05 0.57 -0.10 -0.44 -1.93 0.00 0.00 178.83 176.89 2qiy h ASP 7 N 0.81 -0.34 -0.05 -0.69 3.32 -1.78 -1.04 116.42 116.65 2qiy h ASP 7 Ca 0.21 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 2qiy h ASP 7 Cb -0.03 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2qiy h ASP 7 CO -0.04 -0.13 -0.29 0.16 -1.72 0.00 0.00 179.24 177.22 2qiy h ILE 8 N -0.06 1.28 -0.52 0.35 -2.65 -0.89 -1.48 117.51 113.53 2qiy h ILE 8 Ca 0.12 -1.34 -0.06 0.00 1.03 0.00 0.00 64.86 64.61 2qiy h ILE 8 Cb 0.25 1.40 -0.02 0.00 -2.05 0.00 0.00 36.82 36.40 2qiy h ILE 8 CO -0.27 0.43 0.09 0.00 0.03 0.00 0.00 178.15 178.43 2qiy h PHE 10 N 0.74 0.60 -0.56 0.00 3.57 -1.01 -2.02 116.94 118.26 2qiy h PHE 10 Ca 0.16 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2qiy h PHE 10 Cb 0.39 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2qiy h PHE 10 CO 0.03 0.72 0.27 0.00 -2.23 0.00 0.00 178.31 177.10 2qiy h ALA 11 N 0.80 0.72 -0.22 2.41 0.00 -1.20 -1.69 119.26 120.08 2qiy h ALA 11 Ca 0.08 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2qiy h ALA 11 Cb 0.52 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2qiy h ALA 11 CO 0.02 0.28 -0.07 0.35 0.00 0.00 0.00 179.25 179.84 2qiy h PHE 12 N 0.76 -0.15 -0.29 0.00 3.04 -0.38 -0.10 116.94 119.81 2qiy h PHE 12 Ca 0.19 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 2qiy h PHE 12 Cb 0.12 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2qiy h PHE 12 CO -0.00 -0.11 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.03 2qiy h LEU 13 N -0.02 0.57 -0.43 0.59 -0.00 -1.21 -0.30 115.31 114.52 2qiy h LEU 13 Ca 0.11 -0.37 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2qiy h LEU 13 Cb 0.18 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 2qiy h LEU 13 CO -0.24 0.81 0.25 -0.61 -0.00 0.00 0.00 178.44 178.65 2qiy h GLN 14 N 0.33 0.58 -0.76 1.13 4.15 -1.15 -2.11 115.11 117.29 2qiy h GLN 14 Ca 0.07 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2qiy h GLN 14 Cb 0.56 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2qiy h GLN 14 CO 0.03 0.44 0.37 -0.91 -1.93 0.00 0.00 178.83 176.83 2qiy h ASN 15 N 0.56 0.99 0.11 -0.69 2.35 -0.88 -2.16 115.58 115.85 2qiy h ASN 15 Ca 0.15 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2qiy h ASN 15 Cb 0.01 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 2qiy h ASN 15 CO -0.03 0.84 -0.06 0.22 -1.65 0.00 0.00 177.43 176.76 2qiy h TYR 16 N 1.06 -0.15 -0.03 1.19 3.20 -0.81 -1.15 116.97 120.28 2qiy h TYR 16 Ca 0.26 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.99 2qiy h TYR 16 Cb 0.11 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2qiy h TYR 16 CO 0.01 -0.09 -0.62 1.88 -1.64 0.00 0.00 178.16 177.69 2qiy h TYR 17 N -0.15 0.15 0.00 -3.82 0.05 -1.34 -2.99 116.97 108.86 2qiy h TYR 17 Ca -0.01 -0.06 -0.15 0.00 0.05 0.00 0.00 58.73 58.56 2qiy h TYR 17 Cb 0.12 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 2qiy h TYR 17 CO -0.08 0.71 -0.69 0.93 -1.05 0.00 0.00 178.16 177.98 2qiy h GLU 18 N 0.08 0.00 -0.04 4.88 5.08 -1.32 -2.72 114.58 120.54 2qiy h GLU 18 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2qiy h GLU 18 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2qiy h GLU 18 CO 0.09 0.69 -0.12 0.00 -1.00 0.00 0.00 179.01 178.67 2qiy h ARG 19 N 0.00 0.06 -0.81 2.33 3.08 -1.06 -1.39 114.38 116.59 2qiy h ARG 19 Ca -0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2qiy h ARG 19 Cb 1.30 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 2qiy h ARG 19 CO 0.09 0.19 0.37 0.52 -1.07 0.00 0.00 179.97 180.07 2qiy h MET 20 N 0.06 1.18 -0.32 0.04 2.86 -1.40 0.26 114.93 117.61 2qiy h MET 20 Ca 0.01 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 2qiy h MET 20 Cb 0.26 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2qiy h MET 20 CO 0.02 0.93 0.02 -0.09 1.06 0.00 0.00 176.91 178.84 2qiy h ARG 21 N 1.16 0.55 0.17 1.72 2.43 -1.26 -3.23 114.38 115.92 2qiy h ARG 21 Ca 0.28 -0.17 -0.33 0.00 -0.81 0.00 0.00 59.98 58.95 2qiy h ARG 21 Cb 0.16 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2qiy h ARG 21 CO -0.03 0.67 -1.62 1.79 -1.51 0.00 0.00 179.97 179.27 2qiy h THR 22 N 0.36 1.08 -0.66 0.20 1.35 -1.07 -3.45 112.91 110.72 2qiy h THR 22 Ca 0.09 -2.66 0.01 0.00 -0.55 0.00 0.00 66.41 63.30 2qiy h THR 22 Cb 0.41 2.80 -0.18 0.00 -1.73 0.00 0.00 68.15 69.45 2qiy h THR 22 CO 0.01 0.84 -0.31 -0.62 -0.25 0.00 0.00 175.52 175.19 2qiy s ASP 23 N -7.21 -1.01 0.54 5.36 -1.08 0.06 -5.02 116.67 108.31 2qiy s ASP 23 Ca -0.12 -0.58 0.24 0.00 -0.52 0.00 0.00 52.55 51.57 2qiy s ASP 23 Cb 0.06 1.29 1.42 0.00 -1.46 0.00 0.00 42.92 44.23 2qiy s ASP 23 CO 0.87 -0.10 2.05 -0.65 0.52 0.00 0.00 175.17 177.85 2qiy h PRO 24 N 6.15 0.00 0.00 4.34 0.11 -1.72 -2.12 132.00 138.76 2qiy h PRO 24 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2qiy h PRO 24 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qiy h PRO 24 CO 0.02 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.68 2qiy n SER 25 N -4.29 0.00 -0.34 -2.05 3.41 -1.26 -2.63 113.62 106.45 2qiy n SER 25 Ca 0.05 0.48 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 2qiy n SER 25 Cb 0.43 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.91 2qiy n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qiy n LYS 26 N -1.49 1.12 -0.32 4.33 5.02 -0.80 -4.66 118.16 121.37 2qiy n LYS 26 Ca 0.04 -0.92 0.09 0.00 -2.02 0.00 0.00 58.31 55.51 2qiy n LYS 26 Cb 0.20 -1.15 0.26 0.00 -0.02 0.00 0.00 35.03 34.31 2qiy n LYS 26 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qiy h LEU 27 N 1.69 0.63 -2.29 -0.35 3.38 -1.53 -2.28 115.31 114.56 2qiy h LEU 27 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qiy h LEU 27 Cb 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2qiy h LEU 27 CO 0.00 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 178.73 2qiy h ALA 28 N 1.59 1.22 -0.13 1.53 0.00 -1.83 -2.23 119.26 119.41 2qiy h ALA 28 Ca 0.51 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.42 2qiy h ALA 28 Cb 0.75 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2qiy h ALA 28 CO -0.37 0.06 0.14 -0.92 0.00 0.00 0.00 179.25 178.15 2qiy h TYR 29 N 0.00 0.00 -0.12 0.00 5.03 -1.75 -1.80 116.97 118.32 2qiy h TYR 29 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2qiy h TYR 29 Cb 0.19 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2qiy h TYR 29 CO 0.00 0.00 0.00 1.19 -1.32 0.00 0.00 178.16 178.03 2qiy n PHE 30 N -3.92 0.15 -4.02 -3.82 3.01 -0.84 -4.86 117.46 103.15 2qiy n PHE 30 Ca 0.00 -0.07 -0.31 0.00 1.01 0.00 0.00 57.45 58.08 2qiy n PHE 30 Cb 0.25 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.66 2qiy n PHE 30 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2qiy s TYR 31 N -1.85 3.26 0.73 1.38 2.02 -0.68 -0.60 117.35 121.60 2qiy s TYR 31 Ca 0.34 0.11 -0.15 0.00 -0.37 0.00 0.00 57.07 57.01 2qiy s TYR 31 Cb 0.19 -1.65 0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2qiy s TYR 31 CO 0.29 0.54 1.19 0.00 -1.57 0.00 0.00 175.55 176.00 2qiy s ALA 32 N -1.41 2.14 0.42 3.71 0.00 0.10 -4.77 121.76 121.94 2qiy s ALA 32 Ca 0.30 0.83 0.13 0.00 0.00 0.00 0.00 51.96 53.22 2qiy s ALA 32 Cb -0.12 -3.45 0.98 0.00 0.00 0.00 0.00 23.12 20.53 2qiy s ALA 32 CO 0.23 -1.84 1.97 0.66 0.00 0.00 0.00 175.76 176.78 2qiy h SER 33 N -0.32 0.42 -0.49 0.00 4.64 -1.95 -1.89 113.55 113.97 2qiy h SER 33 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2qiy h SER 33 Cb 1.29 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2qiy h SER 33 CO 0.50 0.25 0.00 0.35 -0.87 0.00 0.00 176.83 177.06 2qiy n THR 34 N -4.48 2.48 -1.45 2.95 -2.24 -1.26 -0.91 114.28 109.37 2qiy n THR 34 Ca 0.10 -1.52 -0.36 0.00 -2.27 0.00 0.00 64.05 60.01 2qiy n THR 34 Cb 0.36 -0.20 0.08 0.00 -2.10 0.00 0.00 70.33 68.47 2qiy n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qiy n ALA 35 N 0.35 0.03 -3.00 6.98 0.00 -0.71 -4.45 120.51 119.70 2qiy n ALA 35 Ca 0.25 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2qiy n ALA 35 Cb 1.06 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 2qiy n ALA 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qiy s GLU 36 N -3.25 3.52 -0.06 0.00 2.02 -0.40 -0.49 118.70 120.06 2qiy s GLU 36 Ca 0.75 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 55.20 2qiy s GLU 36 Cb -0.36 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.09 2qiy s GLU 36 CO 0.48 0.24 -0.23 -1.17 0.02 0.00 0.00 175.26 174.60 2qiy s LEU 37 N 0.33 2.03 -0.23 1.80 2.96 0.33 -1.61 118.68 124.29 2qiy s LEU 37 Ca -0.07 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2qiy s LEU 37 Cb -0.15 -1.27 0.06 0.00 0.50 0.00 0.00 46.19 45.33 2qiy s LEU 37 CO 0.04 0.22 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.35 2qiy s THR 38 N -0.08 1.45 0.15 3.68 2.01 0.88 -0.31 115.64 123.41 2qiy s THR 38 Ca -0.04 -1.17 0.04 0.00 0.31 0.00 0.00 61.69 60.83 2qiy s THR 38 Cb -0.13 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 2qiy s THR 38 CO 0.04 -0.11 -0.10 -2.28 -0.69 0.00 0.00 174.62 171.48 2qiy s HIS 39 N 1.43 1.29 -0.36 4.92 2.46 -0.16 -1.56 115.29 123.31 2qiy s HIS 39 Ca -0.05 -0.77 -0.45 0.00 0.47 0.00 0.00 55.06 54.26 2qiy s HIS 39 Cb -0.19 -0.66 -0.20 0.00 -0.13 0.00 0.00 32.58 31.41 2qiy s HIS 39 CO -0.06 0.08 1.47 2.41 -2.47 0.00 0.00 174.74 176.17 2qiy n THR 40 N -0.21 0.01 -2.78 0.89 -1.04 -1.26 -0.67 114.28 109.21 2qiy n THR 40 Ca -0.10 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 2qiy n THR 40 Cb 0.61 -0.40 -0.01 0.00 -1.82 0.00 0.00 70.33 68.70 2qiy n THR 40 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qiy s ASN 41 N 2.26 6.77 0.65 8.00 2.47 0.28 -4.74 114.94 130.63 2qiy s ASN 41 Ca 1.01 -2.28 0.42 0.00 0.42 0.00 0.00 52.86 52.44 2qiy s ASN 41 Cb -1.42 -2.48 2.26 0.00 -1.45 0.00 0.00 41.25 38.16 2qiy s ASN 41 CO 0.75 -1.09 2.32 1.88 -3.72 0.00 0.00 177.10 177.24 2qiy h TYR 42 N 8.29 0.00 0.00 0.43 -1.99 -1.87 -2.09 116.97 119.73 2qiy h TYR 42 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 2qiy h TYR 42 Cb 0.94 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.67 2qiy h TYR 42 CO 1.23 0.00 -0.13 1.04 -0.00 0.00 0.00 178.16 180.30 2qiy n GLN 43 N -3.14 0.07 -2.19 4.88 3.00 -1.26 -4.90 117.38 113.84 2qiy n GLN 43 Ca -0.03 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2qiy n GLN 43 Cb 0.10 -1.57 -0.03 0.00 0.00 0.00 0.00 30.24 28.74 2qiy n GLN 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2qiy s SER 44 N -3.40 6.86 0.00 1.08 0.15 -0.79 -5.26 113.70 112.34 2qiy s SER 44 Ca 0.12 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.14 2qiy s SER 44 Cb 0.17 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2qiy s SER 44 CO 0.59 -0.59 0.00 2.29 1.20 0.00 0.00 173.24 176.73 2qiy n LYS 45 N 3.23 0.00 0.00 5.44 0.00 -1.26 -5.11 118.16 120.46 2qiy n LYS 45 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2qiy n LYS 45 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.45 2qiy n LYS 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2qiy n LYS 50 N 0.00 0.00 -1.94 -1.58 2.85 -1.26 -5.18 118.16 111.05 2qiy n LYS 50 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 2qiy n LYS 50 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2qiy n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2qiy s ASP 51 N -2.03 6.58 -0.07 -5.58 -0.00 -1.26 -4.90 116.67 109.41 2qiy s ASP 51 Ca 0.00 2.65 0.16 0.00 -0.00 0.00 0.00 52.55 55.36 2qiy s ASP 51 Cb 0.00 -2.60 0.53 0.00 -0.00 0.00 0.00 42.92 40.85 2qiy s ASP 51 CO 0.00 -0.81 1.45 -0.90 -0.00 0.00 0.00 175.17 174.91 2qiy n ASP 52 N 3.52 3.88 -4.37 0.27 3.85 -1.26 -4.91 116.55 117.53 2qiy n ASP 52 Ca 0.12 -2.36 -0.19 0.00 -0.71 0.00 0.00 54.79 51.65 2qiy n ASP 52 Cb 0.39 -0.44 -0.10 0.00 -1.35 0.00 0.00 41.12 39.61 2qiy n ASP 52 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 2qiy s VAL 53 N -1.66 1.62 0.13 2.12 -7.23 -1.26 -4.47 120.40 109.66 2qiy s VAL 53 Ca 0.40 -2.16 0.09 0.00 -1.81 0.00 0.00 61.98 58.50 2qiy s VAL 53 Cb 0.25 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2qiy s VAL 53 CO 0.19 -0.48 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.54 2qiy s LEU 54 N -3.35 2.36 0.66 1.32 1.43 -1.26 -5.11 118.68 114.73 2qiy s LEU 54 Ca 0.25 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 2qiy s LEU 54 Cb 0.02 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 2qiy s LEU 54 CO 0.08 0.05 1.05 -2.16 0.23 0.00 0.00 176.35 175.61 2qiy s PRO 55 N -2.29 3.24 0.35 1.29 0.04 -1.26 -4.61 135.00 131.77 2qiy s PRO 55 Ca 0.12 0.77 0.05 0.00 0.04 0.00 0.00 61.00 61.98 2qiy s PRO 55 Cb -0.08 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2qiy s PRO 55 CO 0.06 -0.83 0.02 0.95 0.04 0.00 0.00 177.00 177.24 2qiy s THR 56 N -3.16 1.56 0.01 1.26 -4.23 -1.26 -0.55 115.64 109.26 2qiy s THR 56 Ca 0.57 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2qiy s THR 56 Cb -0.12 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 2qiy s THR 56 CO 0.54 -0.04 -0.01 0.54 -0.54 0.00 0.00 174.62 175.11 2qiy s VAL 57 N -3.04 0.05 -0.09 2.29 0.11 0.15 -4.71 120.40 115.16 2qiy s VAL 57 Ca 0.35 -0.38 -0.16 0.00 -2.93 0.00 0.00 61.98 58.87 2qiy s VAL 57 Cb 0.08 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.77 2qiy s VAL 57 CO 0.16 -0.21 0.40 -0.54 -3.33 0.00 0.00 175.10 171.58 2qiy s LYS 58 N -0.61 4.17 -0.01 1.54 1.02 -1.26 -0.99 119.74 123.60 2qiy s LYS 58 Ca -0.07 0.33 0.02 0.00 0.02 0.00 0.00 55.97 56.28 2qiy s LYS 58 Cb -0.04 -3.36 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2qiy s LYS 58 CO -0.00 0.36 -0.07 0.08 -0.92 0.00 0.00 175.35 174.79 2qiy s VAL 59 N 0.02 0.62 -0.04 3.17 1.01 0.58 -5.01 120.40 120.74 2qiy s VAL 59 Ca 0.22 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2qiy s VAL 59 Cb -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2qiy s VAL 59 CO 0.09 0.19 -0.13 -0.89 0.00 0.00 0.00 175.10 174.36 2qiy s THR 60 N -0.01 1.11 0.00 3.92 2.01 -1.26 -0.51 115.64 120.90 2qiy s THR 60 Ca 0.01 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2qiy s THR 60 Cb -0.05 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2qiy s THR 60 CO -0.00 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 2qiy n GLY 61 N 3.32 0.58 0.33 4.40 0.00 0.36 -4.46 105.19 109.71 2qiy n GLY 61 Ca -0.19 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 2qiy n GLY 61 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qiy h ARG 62 N 0.00 1.12 -0.73 1.61 2.43 -1.18 -1.00 114.38 116.64 2qiy h ARG 62 Ca 0.00 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2qiy h ARG 62 Cb 0.00 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 2qiy h ARG 62 CO 0.00 0.76 0.26 0.93 -1.51 0.00 0.00 179.97 180.41 2qiy h GLU 63 N 1.14 1.11 -0.41 0.20 5.08 -1.89 0.69 114.58 120.50 2qiy h GLU 63 Ca 0.31 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2qiy h GLU 63 Cb -0.10 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2qiy h GLU 63 CO -0.06 0.93 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.73 2qiy h ASN 64 N 1.06 0.87 -0.48 1.42 2.35 -1.70 -1.37 115.58 117.73 2qiy h ASN 64 Ca 0.24 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2qiy h ASN 64 Cb 0.26 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2qiy h ASN 64 CO -0.01 1.07 0.24 0.40 -1.65 0.00 0.00 177.43 177.47 2qiy h ILE 65 N 0.73 1.18 -0.61 2.81 2.04 -0.89 -0.64 117.51 122.13 2qiy h ILE 65 Ca 0.09 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.45 2qiy h ILE 65 Cb 0.78 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2qiy h ILE 65 CO 0.06 0.20 0.40 -1.13 0.00 0.00 0.00 178.15 177.69 2qiy h ASN 66 N 0.63 0.69 -0.76 1.72 -0.73 -0.72 -1.01 115.58 115.41 2qiy h ASN 66 Ca 0.17 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.28 2qiy h ASN 66 Cb 0.11 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.49 2qiy h ASN 66 CO -0.02 0.50 0.33 0.50 -0.37 0.00 0.00 177.43 178.37 2qiy h LYS 67 N 0.82 1.11 0.31 6.67 3.64 -0.88 0.24 116.57 128.49 2qiy h LYS 67 Ca 0.23 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2qiy h LYS 67 Cb -0.08 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 2qiy h LYS 67 CO -0.05 0.89 -0.15 0.35 -2.27 0.00 0.00 179.45 178.21 2qiy h PHE 68 N 1.08 -0.39 -0.69 1.91 3.57 -0.79 -1.20 116.94 120.43 2qiy h PHE 68 Ca 0.26 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2qiy h PHE 68 Cb 0.17 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2qiy h PHE 68 CO 0.01 -0.19 0.29 0.74 -2.23 0.00 0.00 178.31 176.93 2qiy h PHE 69 N -0.50 1.03 -0.58 0.41 0.05 -1.05 -2.96 116.94 113.34 2qiy h PHE 69 Ca -0.04 -0.07 -0.03 0.00 3.82 0.00 0.00 57.97 61.64 2qiy h PHE 69 Cb 0.38 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.99 2qiy h PHE 69 CO -0.03 0.79 0.23 0.77 -0.18 0.00 0.00 178.31 179.89 2qiy h SER 70 N 0.97 0.79 0.01 2.17 0.02 -0.94 -2.20 113.55 114.38 2qiy h SER 70 Ca 0.23 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2qiy h SER 70 Cb 0.19 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2qiy h SER 70 CO -0.02 0.75 -0.01 0.03 -1.14 0.00 0.00 176.83 176.43 2qiy h ARG 71 N 0.79 0.00 -0.46 3.45 -0.00 -1.12 -2.37 114.38 114.67 2qiy h ARG 71 Ca 0.19 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.55 2qiy h ARG 71 Cb 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.09 2qiy h ARG 71 CO -0.02 0.01 0.09 0.09 0.00 0.00 0.00 179.97 180.14 2qiy n ASN 72 N -4.32 3.88 -0.14 7.04 3.02 -0.90 -4.80 115.26 119.05 2qiy n ASN 72 Ca -0.03 -3.28 -0.07 0.00 -0.03 0.00 0.00 54.58 51.17 2qiy n ASN 72 Cb 0.10 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.62 2qiy n ASN 72 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2qiy h ASP 73 N 1.90 -1.07 -0.47 6.41 1.82 -0.86 0.44 116.42 124.60 2qiy h ASP 73 Ca 0.16 0.20 0.01 0.00 -0.39 0.00 0.00 57.03 57.00 2qiy h ASP 73 Cb 1.83 0.51 -0.03 0.00 0.68 0.00 0.00 39.33 42.33 2qiy h ASP 73 CO 0.46 -0.31 0.30 0.00 -1.61 0.00 0.00 179.24 178.08 2qiy h ALA 74 N 0.84 0.60 -0.29 -0.78 0.00 -1.87 -0.89 119.26 116.86 2qiy h ALA 74 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2qiy h ALA 74 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qiy h ALA 74 CO -0.56 0.03 0.07 0.87 0.00 0.00 0.00 179.25 179.65 2qiy h LYS 75 N 0.62 0.47 -0.80 0.00 1.79 -1.78 -3.05 116.57 113.83 2qiy h LYS 75 Ca 0.18 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2qiy h LYS 75 Cb -0.05 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.50 2qiy h LYS 75 CO -0.05 0.56 0.40 0.28 -1.08 0.00 0.00 179.45 179.56 2qiy h VAL 76 N 0.31 1.24 0.00 0.50 2.07 -0.67 -1.24 116.25 118.47 2qiy h VAL 76 Ca 0.09 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2qiy h VAL 76 Cb 0.30 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2qiy h VAL 76 CO 0.00 0.29 0.00 0.03 0.02 0.00 0.00 177.57 177.91 2qiy h ARG 77 N 1.13 0.00 -0.50 1.57 3.08 -1.06 -1.96 114.38 116.64 2qiy h ARG 77 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2qiy h ARG 77 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2qiy h ARG 77 CO -0.04 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.73 2qiy n SER 78 N -3.03 3.61 -4.75 7.04 3.41 -0.47 -4.52 113.62 114.92 2qiy n SER 78 Ca -0.02 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.18 2qiy n SER 78 Cb 0.11 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 2qiy n SER 78 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2qiy s LEU 79 N -1.34 4.48 0.04 1.04 0.20 -0.74 -1.97 118.68 120.39 2qiy s LEU 79 Ca 0.42 2.27 0.00 0.00 0.69 0.00 0.00 54.13 57.51 2qiy s LEU 79 Cb 0.24 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.35 2qiy s LEU 79 CO 0.32 -0.31 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.49 2qiy s LYS 80 N -0.70 0.51 0.10 1.98 1.02 0.56 -4.82 119.74 118.38 2qiy s LYS 80 Ca 0.50 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 2qiy s LYS 80 Cb -0.33 0.05 0.06 0.00 -0.52 0.00 0.00 37.83 37.09 2qiy s LYS 80 CO 0.39 -0.05 0.58 -0.48 -0.92 0.00 0.00 175.35 174.86 2qiy s LEU 81 N -2.17 -0.39 -0.34 3.17 2.34 -1.26 -1.09 118.68 118.94 2qiy s LEU 81 Ca -0.04 0.13 -0.11 0.00 0.06 0.00 0.00 54.13 54.17 2qiy s LEU 81 Cb -0.02 2.42 0.00 0.00 -0.56 0.00 0.00 46.19 48.03 2qiy s LEU 81 CO -0.04 -0.84 0.20 -0.75 -1.06 0.00 0.00 176.35 173.85 2qiy s LYS 82 N -3.05 3.23 -0.32 1.48 2.20 0.18 -5.00 119.74 118.47 2qiy s LYS 82 Ca -0.02 -0.81 -0.21 0.00 -0.36 0.00 0.00 55.97 54.57 2qiy s LYS 82 Cb -0.00 -3.70 -0.00 0.00 -1.51 0.00 0.00 37.83 32.61 2qiy s LYS 82 CO -0.07 -0.52 0.68 -1.17 -0.36 0.00 0.00 175.35 173.92 2qiy s LEU 83 N 1.63 4.16 -0.20 5.43 0.20 -1.26 -1.26 118.68 127.37 2qiy s LEU 83 Ca 0.04 0.40 -0.09 0.00 0.69 0.00 0.00 54.13 55.18 2qiy s LEU 83 Cb -0.18 -2.88 -0.20 0.00 -0.43 0.00 0.00 46.19 42.50 2qiy s LEU 83 CO 0.08 -0.56 0.05 0.47 -0.29 0.00 0.00 176.35 176.10 2qiy n ASP 84 N 6.04 2.00 -3.95 3.68 10.43 0.20 -4.99 116.55 129.97 2qiy n ASP 84 Ca 0.00 0.19 -0.10 0.00 2.57 0.00 0.00 54.79 57.45 2qiy n ASP 84 Cb 0.49 -0.76 -0.11 0.00 1.84 0.00 0.00 41.12 42.58 2qiy n ASP 84 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2qiy s THR 85 N -2.50 0.10 -0.03 -3.53 -4.23 -1.00 -4.98 115.64 99.48 2qiy s THR 85 Ca -0.30 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2qiy s THR 85 Cb 0.09 -0.36 0.01 0.00 1.34 0.00 0.00 72.50 73.57 2qiy s THR 85 CO 0.64 -0.48 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.57 2qiy s ILE 86 N -1.53 0.44 0.02 2.99 1.01 -1.26 -2.08 121.20 120.79 2qiy s ILE 86 Ca -0.15 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.42 2qiy s ILE 86 Cb -0.09 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2qiy s ILE 86 CO -0.00 0.17 -0.16 -1.81 0.00 0.00 0.00 174.94 173.14 2qiy s ASP 87 N 0.52 1.93 0.05 3.58 1.01 0.03 -4.99 116.67 118.79 2qiy s ASP 87 Ca -0.06 -0.39 -0.04 0.00 0.71 0.00 0.00 52.55 52.76 2qiy s ASP 87 Cb -0.10 -0.17 -0.02 0.00 1.01 0.00 0.00 42.92 43.64 2qiy s ASP 87 CO -0.00 0.13 0.06 0.72 0.21 0.00 0.00 175.17 176.29 2qiy s PHE 88 N -0.62 0.32 0.08 4.23 -0.12 -1.26 -0.34 117.98 120.27 2qiy s PHE 88 Ca 0.05 -0.74 -0.09 0.00 -0.05 0.00 0.00 56.93 56.10 2qiy s PHE 88 Cb -0.07 -0.22 -0.00 0.00 -0.63 0.00 0.00 43.02 42.09 2qiy s PHE 88 CO 0.01 -0.40 0.18 -0.65 -0.05 0.00 0.00 175.22 174.31 2qiy s GLN 89 N -3.29 0.83 0.55 1.99 -0.21 -0.41 -5.00 119.66 114.10 2qiy s GLN 89 Ca 0.01 -0.94 -0.13 0.00 0.02 0.00 0.00 55.36 54.32 2qiy s GLN 89 Cb 0.03 0.33 -0.06 0.00 1.00 0.00 0.00 33.01 34.32 2qiy s GLN 89 CO -0.08 -0.26 0.97 0.71 -2.12 0.00 0.00 175.29 174.51 2qiy s TYR 90 N -3.75 3.54 0.33 0.91 1.51 -1.26 -0.25 117.35 118.37 2qiy s TYR 90 Ca 0.04 1.30 -0.18 0.00 -1.01 0.00 0.00 57.07 57.23 2qiy s TYR 90 Cb 0.04 -2.69 0.05 0.00 -0.11 0.00 0.00 41.96 39.26 2qiy s TYR 90 CO -0.10 -0.47 0.83 -0.08 -1.11 0.00 0.00 175.55 174.61 2qiy s THR 91 N -2.85 0.00 0.00 -0.71 -1.32 -0.28 -4.80 115.64 105.69 2qiy s THR 91 Ca 0.56 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 2qiy s THR 91 Cb -0.10 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 2qiy s THR 91 CO 0.42 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.44 2qiy n GLY 92 N -0.55 -0.57 3.68 6.08 0.00 -1.26 -1.93 105.19 110.65 2qiy n GLY 92 Ca -0.07 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 2qiy n GLY 92 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qiy n HIS 93 N -0.37 2.49 -1.85 1.61 -0.00 -1.26 -1.69 115.22 114.14 2qiy n HIS 93 Ca 0.00 -0.11 -0.19 0.00 -0.00 0.00 0.00 57.72 57.42 2qiy n HIS 93 Cb 0.00 -2.71 -0.06 0.00 -0.00 0.00 0.00 29.99 27.23 2qiy n HIS 93 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qiy n LEU 94 N 6.02 -1.51 -2.31 0.27 4.77 -1.26 -2.20 117.00 120.77 2qiy n LEU 94 Ca 0.19 0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 56.33 2qiy n LEU 94 Cb 0.35 -2.68 -0.01 0.00 -2.33 0.00 0.00 43.42 38.74 2qiy n LEU 94 CO 0.68 -0.71 -0.20 1.57 -1.33 0.00 0.00 177.39 177.40 2qiy n HIS 95 N -2.82 -1.13 0.72 -1.77 -0.00 -0.68 -4.87 115.22 104.67 2qiy n HIS 95 Ca -0.20 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.09 2qiy n HIS 95 Cb 0.64 -3.23 -0.06 0.00 -0.12 0.00 0.00 29.99 27.22 2qiy n HIS 95 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qiy n LYS 96 N -2.80 0.18 -2.19 1.57 4.76 -0.94 -4.30 118.16 114.45 2qiy n LYS 96 Ca -0.19 -0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 54.93 2qiy n LYS 96 Cb 0.63 -1.53 0.02 0.00 -1.84 0.00 0.00 35.03 32.31 2qiy n LYS 96 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2qiy s SER 97 N -3.49 5.99 -0.09 4.39 0.01 -0.81 -4.45 113.70 115.24 2qiy s SER 97 Ca 0.05 1.10 0.02 0.00 1.31 0.00 0.00 55.95 58.42 2qiy s SER 97 Cb 0.15 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.22 2qiy s SER 97 CO 0.84 -0.90 -0.14 -0.63 0.41 0.00 0.00 173.24 172.82 2qiy s ILE 98 N -3.05 1.37 -0.21 1.44 1.01 -0.05 -1.12 121.20 120.59 2qiy s ILE 98 Ca 0.53 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 2qiy s ILE 98 Cb -0.11 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2qiy s ILE 98 CO 0.49 0.41 0.42 -0.22 0.00 0.00 0.00 174.94 176.05 2qiy s LEU 99 N 0.91 4.14 -0.06 2.97 0.20 0.65 -0.75 118.68 126.74 2qiy s LEU 99 Ca -0.09 0.52 0.05 0.00 0.69 0.00 0.00 54.13 55.30 2qiy s LEU 99 Cb -0.15 -2.55 -0.00 0.00 -0.43 0.00 0.00 46.19 43.06 2qiy s LEU 99 CO 0.00 -0.12 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.10 2qiy s ILE 100 N 1.50 1.78 -0.07 6.68 1.01 -0.08 -1.29 121.20 130.73 2qiy s ILE 100 Ca 0.20 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.00 2qiy s ILE 100 Cb -0.15 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 2qiy s ILE 100 CO 0.08 0.50 -0.22 -0.04 0.00 0.00 0.00 174.94 175.26 2qiy s MET 101 N 0.06 2.47 0.09 2.79 -1.94 0.54 -0.85 119.30 122.46 2qiy s MET 101 Ca -0.07 -0.81 0.09 0.00 -1.71 0.00 0.00 55.69 53.19 2qiy s MET 101 Cb -0.14 -2.03 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 2qiy s MET 101 CO 0.04 0.28 -0.24 0.00 -0.01 0.00 0.00 175.02 175.09 2qiy s ALA 102 N 0.05 2.10 0.08 3.03 0.00 0.71 -0.79 121.76 126.94 2qiy s ALA 102 Ca -0.08 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.61 2qiy s ALA 102 Cb -0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2qiy s ALA 102 CO 0.05 0.47 -0.07 0.95 0.00 0.00 0.00 175.76 177.16 2qiy s THR 103 N -0.97 0.65 -1.11 0.00 -4.23 -0.88 -0.42 115.64 108.67 2qiy s THR 103 Ca 0.10 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2qiy s THR 103 Cb -0.10 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2qiy s THR 103 CO 0.04 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 2qiy n GLY 104 N 0.28 -0.60 2.92 3.99 0.00 -0.69 -0.63 105.19 110.46 2qiy n GLY 104 Ca -0.14 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 2qiy n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qiy s GLU 105 N -0.44 1.47 0.01 1.61 2.02 -0.39 -1.13 118.70 121.85 2qiy s GLU 105 Ca 0.00 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.76 2qiy s GLU 105 Cb 0.00 -1.47 -0.03 0.00 0.10 0.00 0.00 34.13 32.73 2qiy s GLU 105 CO 0.00 -0.19 -0.06 1.41 0.02 0.00 0.00 175.26 176.43 2qiy s MET 106 N 1.44 2.54 0.31 1.61 -2.45 0.68 -0.64 119.30 122.79 2qiy s MET 106 Ca -0.00 -0.73 -0.08 0.00 -1.25 0.00 0.00 55.69 53.62 2qiy s MET 106 Cb -0.13 -2.50 0.01 0.00 1.25 0.00 0.00 34.83 33.45 2qiy s MET 106 CO -0.05 0.60 0.52 -0.59 1.05 0.00 0.00 175.02 176.55 2qiy s PHE 107 N -1.02 0.66 0.22 4.11 -0.12 -0.25 -0.54 117.98 121.04 2qiy s PHE 107 Ca 0.18 -1.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.13 2qiy s PHE 107 Cb -0.11 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 2qiy s PHE 107 CO 0.08 -1.15 -0.15 -1.58 -0.05 0.00 0.00 175.22 172.37 2qiy s TRP 108 N -3.28 1.79 -0.39 3.49 0.51 -1.26 -0.33 118.94 119.47 2qiy s TRP 108 Ca 0.25 -0.55 -0.44 0.00 -2.12 0.00 0.00 56.10 53.24 2qiy s TRP 108 Cb -0.01 -0.83 -0.19 0.00 -0.81 0.00 0.00 33.47 31.63 2qiy s TRP 108 CO 0.15 0.40 1.60 2.41 -0.51 0.00 0.00 176.95 181.00 2qiy n THR 109 N -0.42 0.09 -0.96 2.01 -1.04 -0.83 -0.46 114.28 112.66 2qiy n THR 109 Ca -0.07 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2qiy n THR 109 Cb 0.60 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 2qiy n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qiy n GLY 110 N 3.87 0.95 3.97 3.41 0.00 -1.26 -5.03 105.19 111.10 2qiy n GLY 110 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2qiy n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qiy s THR 111 N -3.80 4.52 1.01 2.61 -4.23 0.39 -5.11 115.64 111.03 2qiy s THR 111 Ca 0.00 -0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 59.53 2qiy s THR 111 Cb 0.00 -3.60 0.20 0.00 1.34 0.00 0.00 72.50 70.43 2qiy s THR 111 CO 0.00 -0.28 1.10 -2.16 -0.54 0.00 0.00 174.62 172.73 2qiy s PRO 112 N -4.20 0.32 0.61 3.99 0.04 -1.26 -4.62 135.00 129.88 2qiy s PRO 112 Ca 0.42 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 2qiy s PRO 112 Cb -0.09 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2qiy s PRO 112 CO 0.32 -2.79 1.02 0.14 0.04 0.00 0.00 177.00 175.73 2qiy s VAL 113 N -2.99 4.70 -0.03 -0.36 -7.23 -1.26 -4.58 120.40 108.65 2qiy s VAL 113 Ca 0.66 0.89 0.01 0.00 -1.81 0.00 0.00 61.98 61.72 2qiy s VAL 113 Cb -0.18 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 32.92 2qiy s VAL 113 CO 0.57 -1.11 -0.01 -0.31 -0.31 0.00 0.00 175.10 173.93 2qiy s TYR 114 N -3.13 0.38 0.32 2.82 1.51 0.30 -4.95 117.35 114.61 2qiy s TYR 114 Ca 0.55 -0.03 -0.28 0.00 -1.01 0.00 0.00 57.07 56.30 2qiy s TYR 114 Cb -0.11 -0.45 -0.09 0.00 -0.11 0.00 0.00 41.96 41.20 2qiy s TYR 114 CO 0.52 -0.14 1.08 0.15 -1.11 0.00 0.00 175.55 176.06 2qiy s LYS 115 N 0.99 4.47 0.07 -0.62 1.02 -1.26 -0.23 119.74 124.18 2qiy s LYS 115 Ca -0.10 1.70 -0.07 0.00 0.02 0.00 0.00 55.97 57.52 2qiy s LYS 115 Cb -0.14 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2qiy s LYS 115 CO -0.01 0.08 0.15 -0.59 -0.92 0.00 0.00 175.35 174.06 2qiy s PHE 116 N -1.33 0.19 -0.03 3.18 -0.12 -0.29 -1.37 117.98 118.21 2qiy s PHE 116 Ca 0.49 -0.59 0.05 0.00 -0.05 0.00 0.00 56.93 56.84 2qiy s PHE 116 Cb -0.29 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 41.99 2qiy s PHE 116 CO 0.36 -0.48 -0.19 0.00 -0.05 0.00 0.00 175.22 174.86 2qiy s GLN 118 N -0.20 0.95 -0.02 0.00 0.74 0.44 -0.76 119.66 120.82 2qiy s GLN 118 Ca 0.01 -0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.25 2qiy s GLN 118 Cb -0.10 -0.89 -0.02 0.00 1.10 0.00 0.00 33.01 33.10 2qiy s GLN 118 CO 0.01 0.04 -0.24 0.99 -0.55 0.00 0.00 175.29 175.54 2qiy s THR 119 N 0.45 1.90 0.10 -0.34 2.01 0.58 -0.21 115.64 120.14 2qiy s THR 119 Ca -0.07 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 60.97 2qiy s THR 119 Cb -0.11 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 2qiy s THR 119 CO 0.01 0.54 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.95 2qiy s PHE 120 N -0.54 1.51 -0.11 4.92 0.40 -0.03 -0.92 117.98 123.21 2qiy s PHE 120 Ca 0.09 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2qiy s PHE 120 Cb -0.09 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.63 2qiy s PHE 120 CO -0.01 0.15 -0.20 0.42 0.70 0.00 0.00 175.22 176.28 2qiy s ILE 121 N -1.50 1.85 -0.18 0.64 -1.09 -0.50 -0.90 121.20 119.52 2qiy s ILE 121 Ca 0.05 -0.87 -0.05 0.00 -2.23 0.00 0.00 60.65 57.55 2qiy s ILE 121 Cb -0.08 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.13 2qiy s ILE 121 CO 0.04 0.51 0.00 -0.76 -1.23 0.00 0.00 174.94 173.50 2qiy s LEU 122 N 0.70 3.43 -0.16 2.97 1.43 0.07 -0.51 118.68 126.61 2qiy s LEU 122 Ca -0.11 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2qiy s LEU 122 Cb -0.16 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2qiy s LEU 122 CO 0.02 0.14 -0.08 -0.22 0.23 0.00 0.00 176.35 176.44 2qiy s LEU 123 N 0.54 2.93 0.59 1.79 2.96 0.28 -0.87 118.68 126.90 2qiy s LEU 123 Ca -0.01 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 2qiy s LEU 123 Cb -0.14 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2qiy s LEU 123 CO 0.02 0.12 1.16 -2.16 -1.32 0.00 0.00 176.35 174.16 2qiy s PRO 124 N 0.67 3.04 0.01 0.98 0.04 -1.26 -0.99 135.00 137.49 2qiy s PRO 124 Ca -0.04 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.58 2qiy s PRO 124 Cb -0.15 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2qiy s PRO 124 CO 0.02 -1.11 1.02 0.66 0.04 0.00 0.00 177.00 177.63 2qiy h SER 125 N 0.78 -0.22 0.00 6.66 4.64 -1.96 -3.45 113.55 120.00 2qiy h SER 125 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2qiy h SER 125 Cb 1.27 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2qiy h SER 125 CO 0.55 -0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 174.82 2qiy n SER 129 N -2.77 0.00 -4.50 4.97 3.41 -1.26 -5.05 113.62 108.42 2qiy n SER 129 Ca -0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.34 2qiy n SER 129 Cb 0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 2qiy n SER 129 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qiy s THR 130 N 0.00 1.55 0.07 6.66 -4.23 -1.26 -5.16 115.64 113.27 2qiy s THR 130 Ca 0.00 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 58.54 2qiy s THR 130 Cb 0.00 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 2qiy s THR 130 CO 0.00 -0.07 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.47 2qiy s PHE 131 N -3.04 1.57 -0.06 3.99 0.40 -1.26 -4.49 117.98 115.08 2qiy s PHE 131 Ca 0.35 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2qiy s PHE 131 Cb 0.08 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.68 2qiy s PHE 131 CO 0.16 0.11 -0.06 -0.51 0.70 0.00 0.00 175.22 175.61 2qiy s ASP 132 N -1.49 4.68 -0.08 1.36 1.01 -0.16 -4.90 116.67 117.10 2qiy s ASP 132 Ca 0.04 -0.03 -0.30 0.00 0.71 0.00 0.00 52.55 52.97 2qiy s ASP 132 Cb -0.09 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 2qiy s ASP 132 CO 0.02 0.35 1.45 -0.63 0.21 0.00 0.00 175.17 176.58 2qiy s ILE 133 N -0.85 3.86 -0.06 0.77 1.01 0.23 -0.56 121.20 125.61 2qiy s ILE 133 Ca 0.13 1.10 0.21 0.00 0.00 0.00 0.00 60.65 62.09 2qiy s ILE 133 Cb -0.11 -3.71 -0.31 0.00 0.01 0.00 0.00 42.46 38.34 2qiy s ILE 133 CO 0.03 -0.07 0.40 0.35 0.00 0.00 0.00 174.94 175.64 2qiy n THR 134 N 5.22 0.21 -3.77 2.92 -2.24 0.33 -0.72 114.28 116.23 2qiy n THR 134 Ca 0.15 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2qiy n THR 134 Cb 0.44 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.49 2qiy n THR 134 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2qiy s ASN 135 N -4.59 -0.29 -0.26 3.42 0.01 -1.20 -1.27 114.94 110.76 2qiy s ASN 135 Ca -0.08 0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 52.61 2qiy s ASN 135 Cb 0.12 0.58 0.15 0.00 0.41 0.00 0.00 41.25 42.51 2qiy s ASN 135 CO 0.87 -0.11 0.43 -0.62 -1.51 0.00 0.00 177.10 176.16 2qiy s ASP 136 N 0.11 -0.12 -0.09 -1.22 -1.08 -0.63 -1.41 116.67 112.23 2qiy s ASP 136 Ca -0.00 0.34 0.02 0.00 -0.52 0.00 0.00 52.55 52.39 2qiy s ASP 136 Cb -0.02 1.35 0.02 0.00 -1.46 0.00 0.00 42.92 42.81 2qiy s ASP 136 CO 0.00 -0.29 -0.13 -0.63 0.52 0.00 0.00 175.17 174.64 2qiy s ILE 137 N 2.62 1.29 -0.02 4.11 1.01 -0.09 -0.09 121.20 130.03 2qiy s ILE 137 Ca 0.14 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.29 2qiy s ILE 137 Cb -0.15 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2qiy s ILE 137 CO -0.18 0.40 -0.06 -0.51 0.00 0.00 0.00 174.94 174.59 2qiy s ILE 138 N 0.98 3.72 -0.07 2.92 2.07 -0.60 -0.31 121.20 129.92 2qiy s ILE 138 Ca -0.08 -0.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 2qiy s ILE 138 Cb -0.15 -2.60 0.02 0.00 0.13 0.00 0.00 42.46 39.87 2qiy s ILE 138 CO -0.01 0.45 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.83 2qiy s ARG 139 N -1.26 0.99 0.14 3.50 6.06 0.06 -4.78 118.95 123.65 2qiy s ARG 139 Ca 0.16 -0.11 -0.24 0.00 -2.50 0.00 0.00 55.73 53.05 2qiy s ARG 139 Cb -0.11 -1.07 -0.08 0.00 0.06 0.00 0.00 34.95 33.75 2qiy s ARG 139 CO 0.06 -0.16 0.73 -0.06 -2.50 0.00 0.00 175.30 173.36 2qiy s PHE 140 N 1.32 3.88 -0.12 5.12 0.08 -1.26 -1.20 117.98 125.79 2qiy s PHE 140 Ca -0.04 1.54 0.02 0.00 0.12 0.00 0.00 56.93 58.56 2qiy s PHE 140 Cb -0.14 -2.70 -0.00 0.00 -0.57 0.00 0.00 43.02 39.60 2qiy s PHE 140 CO -0.02 0.52 -0.18 0.42 -0.10 0.00 0.00 175.22 175.85 2qiy s ILE 141 N -1.08 2.52 0.29 0.64 1.01 -0.47 -4.86 121.20 119.25 2qiy s ILE 141 Ca 0.34 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2qiy s ILE 141 Cb -0.22 -2.02 -0.10 0.00 0.01 0.00 0.00 42.46 40.13 2qiy s ILE 141 CO 0.24 0.54 1.19 -0.55 0.00 0.00 0.00 174.94 176.36 2qiy s SER 142 N 0.46 7.06 0.00 3.58 0.15 -1.26 -4.08 113.70 119.61 2qiy s SER 142 Ca -0.13 2.43 0.28 0.00 0.70 0.00 0.00 55.95 59.23 2qiy s SER 142 Cb -0.17 -2.63 1.66 0.00 -1.71 0.00 0.00 66.02 63.17 2qiy s SER 142 CO 0.05 -0.31 2.01 -3.20 1.20 0.00 0.00 173.24 172.99