#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhc s GLU 2 N 0.00 4.25 0.56 -1.58 2.12 -1.26 -5.00 118.70 117.79 1qhc s GLU 2 Ca 0.00 2.34 -0.15 0.00 0.36 0.00 0.00 54.97 57.52 1qhc s GLU 2 Cb 0.00 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 1qhc s GLU 2 CO 0.00 -0.44 1.02 0.95 -0.54 0.00 0.00 175.26 176.25 1qhc s THR 3 N -0.12 4.27 0.34 -1.70 -4.23 -1.26 -4.86 115.64 108.08 1qhc s THR 3 Ca 0.59 1.03 0.03 0.00 -1.18 0.00 0.00 61.69 62.16 1qhc s THR 3 Cb -0.43 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.09 1qhc s THR 3 CO 0.45 -0.68 1.97 0.00 -0.54 0.00 0.00 174.62 175.82 1qhc h ALA 4 N 0.55 1.58 -0.54 3.99 0.00 -1.95 0.17 119.26 123.07 1qhc h ALA 4 Ca -0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1qhc h ALA 4 Cb 1.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1qhc h ALA 4 CO 0.60 0.33 0.08 0.00 0.00 0.00 0.00 179.25 180.26 1qhc h ALA 5 N 1.57 0.71 -0.46 0.00 0.00 -1.89 0.18 119.26 119.37 1qhc h ALA 5 Ca 0.31 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1qhc h ALA 5 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1qhc h ALA 5 CO -0.09 0.46 -0.16 0.00 0.00 0.00 0.00 179.25 179.46 1qhc h ALA 6 N 0.98 0.84 -0.53 0.00 0.00 -1.68 -1.64 119.26 117.23 1qhc h ALA 6 Ca 0.16 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1qhc h ALA 6 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1qhc h ALA 6 CO 0.01 0.65 0.10 -0.22 0.00 0.00 0.00 179.25 179.79 1qhc h LYS 7 N 0.79 0.83 -0.36 0.00 3.64 -0.31 -0.50 116.57 120.66 1qhc h LYS 7 Ca 0.12 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1qhc h LYS 7 Cb 0.70 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1qhc h LYS 7 CO 0.05 0.77 0.15 0.35 -2.27 0.00 0.00 179.45 178.50 1qhc h PHE 8 N 0.79 0.54 -0.80 1.91 3.04 0.12 0.11 116.94 122.66 1qhc h PHE 8 Ca 0.17 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1qhc h PHE 8 Cb 0.33 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 1qhc h PHE 8 CO 0.02 0.50 0.34 0.93 -2.02 0.00 0.00 178.31 178.08 1qhc h GLU 9 N 0.44 1.18 -0.21 1.11 5.08 -0.95 0.11 114.58 121.33 1qhc h GLU 9 Ca 0.12 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1qhc h GLU 9 Cb 0.18 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qhc h GLU 9 CO -0.01 0.94 0.08 -0.09 -1.00 0.00 0.00 179.01 178.92 1qhc h ARG 10 N 1.16 0.32 0.00 2.33 2.43 -0.63 -1.98 114.38 118.01 1qhc h ARG 10 Ca 0.27 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1qhc h ARG 10 Cb 0.18 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1qhc h ARG 10 CO -0.03 0.40 -0.19 1.96 -1.51 0.00 0.00 179.97 180.60 1qhc h GLN 11 N 0.18 0.00 0.00 0.20 4.20 -0.79 -3.41 115.11 115.50 1qhc h GLN 11 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1qhc h GLN 11 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1qhc h GLN 11 CO -0.00 0.12 -0.14 0.72 -0.67 0.00 0.00 178.83 178.86 1qhc n HIS 12 N -3.10 0.00 -3.56 2.96 8.25 0.36 -4.70 115.22 115.43 1qhc n HIS 12 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 1qhc n HIS 12 Cb 0.58 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 1qhc n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1qhc s MET 13 N -0.67 4.15 -0.40 -0.41 -1.94 -0.75 0.23 119.30 119.51 1qhc s MET 13 Ca 0.00 -0.05 0.03 0.00 -1.71 0.00 0.00 55.69 53.97 1qhc s MET 13 Cb 0.00 -3.50 0.16 0.00 2.01 0.00 0.00 34.83 33.50 1qhc s MET 13 CO 0.00 0.09 0.35 0.34 -0.01 0.00 0.00 175.02 175.79 1qhc s ASP 14 N 0.87 1.43 0.19 3.03 2.15 -0.39 -4.84 116.67 119.11 1qhc s ASP 14 Ca 0.13 -2.54 0.26 0.00 0.43 0.00 0.00 52.55 50.82 1qhc s ASP 14 Cb -0.14 -0.06 0.69 0.00 -0.30 0.00 0.00 42.92 43.12 1qhc s ASP 14 CO 0.05 -0.20 1.67 -1.20 -0.17 0.00 0.00 175.17 175.31 1qhc n SER 15 N 3.31 0.80 0.31 -0.34 7.64 -1.26 -3.80 113.62 120.29 1qhc n SER 15 Ca 0.22 0.47 -0.16 0.00 1.01 0.00 0.00 58.87 60.41 1qhc n SER 15 Cb 0.46 -0.57 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 1qhc n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1qhc h SER 16 N 0.00 -0.66 -3.40 6.43 0.02 -1.93 -3.41 113.55 110.60 1qhc h SER 16 Ca 0.00 -0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.34 1qhc h SER 16 Cb 0.74 0.17 -0.09 0.00 0.14 0.00 0.00 62.40 63.37 1qhc h SER 16 CO 0.00 -0.38 0.00 0.42 -1.14 0.00 0.00 176.83 175.73 1qhc s THR 17 N -5.51 5.09 -0.79 -2.27 -4.23 -1.26 -4.95 115.64 101.73 1qhc s THR 17 Ca -0.16 1.10 0.27 0.00 -1.18 0.00 0.00 61.69 61.71 1qhc s THR 17 Cb 0.03 -3.90 0.27 0.00 1.34 0.00 0.00 72.50 70.24 1qhc s THR 17 CO 0.57 0.21 1.81 -1.54 -0.54 0.00 0.00 174.62 175.13 1qhc n SER 18 N 4.40 0.60 -3.85 3.99 3.41 -1.26 -4.64 113.62 116.27 1qhc n SER 18 Ca -0.04 0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 59.04 1qhc n SER 18 Cb 0.51 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1qhc n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qhc s ALA 19 N -3.08 -0.38 -0.10 7.33 0.00 -1.26 -4.84 121.76 119.43 1qhc s ALA 19 Ca 0.11 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1qhc s ALA 19 Cb 0.14 0.77 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 1qhc s ALA 19 CO 0.57 -0.66 1.94 0.00 0.00 0.00 0.00 175.76 177.61 1qhc s ALA 20 N -3.91 3.26 0.00 0.00 0.00 -1.26 -4.95 121.76 114.90 1qhc s ALA 20 Ca 0.11 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1qhc s ALA 20 Cb 0.02 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1qhc s ALA 20 CO -0.04 -2.00 0.00 0.43 0.00 0.00 0.00 175.76 174.14 1qhc n SER 21 N 8.94 0.00 -4.50 0.00 7.64 -1.26 -4.93 113.62 119.51 1qhc n SER 21 Ca 0.22 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.80 1qhc n SER 21 Cb 0.43 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.84 1qhc n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qhc n SER 22 N 0.00 -1.25 0.22 6.43 3.41 -1.26 -4.80 113.62 116.37 1qhc n SER 22 Ca 0.00 0.07 0.16 0.00 -0.26 0.00 0.00 58.87 58.84 1qhc n SER 22 Cb 0.00 -1.28 0.68 0.00 -0.26 0.00 0.00 64.21 63.36 1qhc n SER 22 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1qhc h SER 23 N -2.24 0.00 -0.65 4.04 0.87 -1.99 -0.89 113.55 112.70 1qhc h SER 23 Ca -0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1qhc h SER 23 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1qhc h SER 23 CO 0.43 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 177.32 1qhc n ASN 24 N -2.71 4.24 -0.13 6.23 3.02 -1.26 -4.49 115.26 120.15 1qhc n ASN 24 Ca 0.00 -2.26 -0.04 0.00 -0.03 0.00 0.00 54.58 52.25 1qhc n ASN 24 Cb 0.22 -0.53 0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1qhc n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1qhc h TYR 25 N 3.97 -0.17 -0.59 3.10 3.20 -1.47 -1.93 116.97 123.07 1qhc h TYR 25 Ca 0.00 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1qhc h TYR 25 Cb 1.22 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 1qhc h TYR 25 CO 0.63 -0.16 -0.02 0.00 -1.64 0.00 0.00 178.16 176.97 1qhc h ASN 27 N 0.96 0.60 0.16 0.00 2.35 -1.76 -0.22 115.58 117.68 1qhc h ASN 27 Ca 0.17 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1qhc h ASN 27 Cb 0.59 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1qhc h ASN 27 CO 0.04 0.52 -0.08 1.56 -1.65 0.00 0.00 177.43 177.81 1qhc h GLN 28 N 0.64 -0.21 -0.42 0.81 4.20 -1.19 -3.08 115.11 115.86 1qhc h GLN 28 Ca 0.17 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1qhc h GLN 28 Cb 0.04 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1qhc h GLN 28 CO -0.03 0.16 0.21 0.52 -0.67 0.00 0.00 178.83 179.02 1qhc h MET 29 N -0.63 0.60 -0.66 1.46 2.86 -0.98 -0.14 114.93 117.45 1qhc h MET 29 Ca -0.02 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1qhc h MET 29 Cb 0.47 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1qhc h MET 29 CO 0.04 0.51 0.44 0.52 1.06 0.00 0.00 176.91 179.47 1qhc h MET 30 N 0.55 0.85 0.15 1.72 2.86 -1.15 -0.26 114.93 119.64 1qhc h MET 30 Ca 0.15 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1qhc h MET 30 Cb 0.10 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1qhc h MET 30 CO -0.02 0.56 -0.07 -0.22 1.06 0.00 0.00 176.91 178.22 1qhc h LYS 31 N 0.88 -0.19 -0.52 1.72 3.64 -1.38 -0.35 116.57 120.37 1qhc h LYS 31 Ca 0.24 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1qhc h LYS 31 Cb -0.08 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1qhc h LYS 31 CO -0.06 0.26 0.35 0.66 -2.27 0.00 0.00 179.45 178.39 1qhc h SER 32 N -0.81 0.43 -0.26 4.20 4.64 -0.74 -1.09 113.55 119.92 1qhc h SER 32 Ca -0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1qhc h SER 32 Cb 0.54 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1qhc h SER 32 CO 0.03 0.29 0.00 0.54 -0.87 0.00 0.00 176.83 176.82 1qhc n ARG 33 N -4.47 1.91 -2.57 4.77 5.12 -0.13 -4.90 116.66 116.39 1qhc n ARG 33 Ca 0.07 -1.06 -0.18 0.00 -1.93 0.00 0.00 57.85 54.75 1qhc n ARG 33 Cb 0.22 -1.41 0.01 0.00 -1.16 0.00 0.00 32.46 30.13 1qhc n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1qhc n ASN 34 N 0.28 -5.22 -0.19 0.55 4.13 -0.41 -4.84 115.26 109.56 1qhc n ASN 34 Ca 0.10 -0.11 0.14 0.00 1.68 0.00 0.00 54.58 56.38 1qhc n ASN 34 Cb 0.36 -4.20 0.50 0.00 -1.54 0.00 0.00 39.78 34.90 1qhc n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1qhc n LEU 35 N -2.88 0.76 -0.69 3.41 4.77 -0.14 -3.76 117.00 118.47 1qhc n LEU 35 Ca -0.16 -0.13 0.06 0.00 -0.03 0.00 0.00 56.01 55.75 1qhc n LEU 35 Cb 0.63 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.73 1qhc n LEU 35 CO 0.31 0.14 0.33 0.35 -1.33 0.00 0.00 177.39 177.19 1qhc n THR 36 N -0.78 1.70 0.24 -5.08 -2.24 -1.23 -3.20 114.28 103.69 1qhc n THR 36 Ca 0.13 -2.61 0.13 0.00 -2.27 0.00 0.00 64.05 59.44 1qhc n THR 36 Cb 0.31 0.01 0.52 0.00 -2.10 0.00 0.00 70.33 69.07 1qhc n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1qhc h LYS 37 N 0.84 0.00 0.00 -0.78 3.11 -1.91 -3.37 116.57 114.46 1qhc h LYS 37 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1qhc h LYS 37 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1qhc h LYS 37 CO 0.02 0.11 -0.00 -0.40 -2.81 0.00 0.00 179.45 176.37 1qhc n ASP 38 N -3.24 0.00 0.00 4.20 5.68 -1.26 -5.10 116.55 116.83 1qhc n ASP 38 Ca 0.01 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1qhc n ASP 38 Cb 0.39 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1qhc n ASP 38 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1qhc n ARG 39 N 0.00 0.00 -2.99 0.11 1.74 -1.26 -5.10 116.66 109.16 1qhc n ARG 39 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1qhc n ARG 39 Cb 0.50 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.89 1qhc n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qhc s LYS 41 N 2.97 4.21 0.17 0.00 2.20 -1.20 -4.90 119.74 123.20 1qhc s LYS 41 Ca 0.30 2.29 -0.14 0.00 -0.36 0.00 0.00 55.97 58.06 1qhc s LYS 41 Cb -0.14 -3.60 0.11 0.00 -1.51 0.00 0.00 37.83 32.70 1qhc s LYS 41 CO 0.15 -0.72 1.77 -1.35 -0.36 0.00 0.00 175.35 174.84 1qhc h PRO 42 N 8.30 0.38 -3.85 4.03 0.11 -1.94 -3.43 132.00 135.59 1qhc h PRO 42 Ca -0.42 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.41 1qhc h PRO 42 Cb 1.20 -0.09 -0.28 0.00 0.11 0.00 0.00 31.00 31.94 1qhc h PRO 42 CO 0.93 0.25 -0.73 0.08 -0.21 0.00 0.00 178.00 178.32 1qhc s VAL 43 N -6.14 0.09 -0.20 3.15 1.01 -1.26 -1.07 120.40 115.98 1qhc s VAL 43 Ca -0.13 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1qhc s VAL 43 Cb 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 36.38 36.48 1qhc s VAL 43 CO 0.73 0.03 0.51 0.21 0.00 0.00 0.00 175.10 176.57 1qhc s ASN 44 N -0.01 -0.60 -0.12 3.32 2.47 -0.38 -5.00 114.94 114.62 1qhc s ASN 44 Ca 0.00 1.07 -0.02 0.00 0.42 0.00 0.00 52.86 54.33 1qhc s ASN 44 Cb -0.01 1.01 -0.03 0.00 -1.45 0.00 0.00 41.25 40.77 1qhc s ASN 44 CO -0.00 -0.20 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.25 1qhc s THR 45 N 0.94 3.89 -0.09 -5.21 2.01 -1.26 -0.59 115.64 115.34 1qhc s THR 45 Ca -0.05 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1qhc s THR 45 Cb -0.06 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1qhc s THR 45 CO -0.08 0.55 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.01 1qhc s PHE 46 N -0.23 3.05 -0.21 4.92 0.08 -0.11 -4.37 117.98 121.12 1qhc s PHE 46 Ca 0.04 0.03 -0.06 0.00 0.12 0.00 0.00 56.93 57.06 1qhc s PHE 46 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1qhc s PHE 46 CO 0.02 0.31 0.02 0.08 -0.10 0.00 0.00 175.22 175.56 1qhc s VAL 47 N -0.59 4.09 -1.07 -0.44 1.01 0.62 -1.01 120.40 123.01 1qhc s VAL 47 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1qhc s VAL 47 Cb -0.12 -2.86 0.31 0.00 0.00 0.00 0.00 36.38 33.71 1qhc s VAL 47 CO 0.02 0.41 1.71 1.41 0.00 0.00 0.00 175.10 178.66 1qhc n HIS 48 N 4.32 2.54 -4.21 5.22 -0.00 0.71 -1.27 115.22 122.54 1qhc n HIS 48 Ca -0.17 -2.57 -0.12 0.00 -0.00 0.00 0.00 57.72 54.85 1qhc n HIS 48 Cb 0.52 -1.26 -0.10 0.00 -0.00 0.00 0.00 29.99 29.15 1qhc n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1qhc s GLU 49 N -3.50 1.22 0.66 -0.41 0.41 -1.26 -4.53 118.70 111.29 1qhc s GLU 49 Ca 0.36 -1.64 -0.15 0.00 -0.41 0.00 0.00 54.97 53.13 1qhc s GLU 49 Cb 0.13 0.26 0.00 0.00 -1.78 0.00 0.00 34.13 32.74 1qhc s GLU 49 CO -0.03 -0.39 1.12 -1.54 -0.49 0.00 0.00 175.26 173.93 1qhc s SER 50 N -3.17 5.05 0.38 -0.19 1.04 -1.26 -4.33 113.70 111.22 1qhc s SER 50 Ca 0.39 2.03 0.06 0.00 0.48 0.00 0.00 55.95 58.91 1qhc s SER 50 Cb 0.07 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.40 1qhc s SER 50 CO 0.12 -1.67 2.00 0.25 0.98 0.00 0.00 173.24 174.93 1qhc h LEU 51 N 0.03 0.49 -0.59 2.42 5.85 -1.99 -2.13 115.31 119.39 1qhc h LEU 51 Ca -0.47 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 1qhc h LEU 51 Cb 1.25 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1qhc h LEU 51 CO 0.54 0.42 -0.12 0.00 -0.34 0.00 0.00 178.44 178.94 1qhc h ALA 52 N 1.66 0.79 -0.50 1.25 0.00 -1.98 -0.71 119.26 119.77 1qhc h ALA 52 Ca 0.14 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1qhc h ALA 52 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1qhc h ALA 52 CO -0.02 0.67 -0.13 -0.44 0.00 0.00 0.00 179.25 179.33 1qhc h ASP 53 N 0.89 0.93 0.10 0.00 3.32 -1.77 -1.43 116.42 118.46 1qhc h ASP 53 Ca 0.14 -0.31 -0.19 0.00 0.02 0.00 0.00 57.03 56.69 1qhc h ASP 53 Cb 0.67 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1qhc h ASP 53 CO 0.05 1.06 -0.72 0.58 -1.72 0.00 0.00 179.24 178.49 1qhc h VAL 54 N 0.83 1.34 -0.04 -1.35 2.07 -1.31 -3.06 116.25 114.72 1qhc h VAL 54 Ca 0.13 -2.05 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 1qhc h VAL 54 Cb 0.66 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1qhc h VAL 54 CO 0.05 0.63 -0.30 1.56 0.02 0.00 0.00 177.57 179.53 1qhc h GLN 55 N 0.38 0.08 0.00 1.57 4.20 -0.95 -2.35 115.11 118.04 1qhc h GLN 55 Ca -0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1qhc h GLN 55 Cb 1.31 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 1qhc h GLN 55 CO 0.13 0.38 -0.12 0.00 -0.67 0.00 0.00 178.83 178.55 1qhc h ALA 56 N 1.63 1.24 -0.00 3.87 0.00 -1.16 -2.60 119.26 122.24 1qhc h ALA 56 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1qhc h ALA 56 Cb 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qhc h ALA 56 CO 0.04 0.15 0.01 0.28 0.00 0.00 0.00 179.25 179.73 1qhc h VAL 57 N 0.00 0.22 0.00 0.00 2.07 -1.45 -1.44 116.25 115.65 1qhc h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qhc h VAL 57 Cb 0.36 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1qhc h VAL 57 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1qhc n SER 59 N -1.43 2.09 0.00 0.00 3.41 -0.54 -4.99 113.62 112.16 1qhc n SER 59 Ca 0.03 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1qhc n SER 59 Cb 0.11 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1qhc n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qhc n GLN 60 N -1.28 3.28 -1.99 4.33 6.02 -0.56 -5.00 117.38 122.18 1qhc n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 1qhc n GLN 60 Cb 0.66 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.89 1qhc n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qhc s LYS 61 N 4.67 3.41 0.06 -1.09 2.20 -0.99 -4.83 119.74 123.17 1qhc s LYS 61 Ca 0.00 1.52 -0.31 0.00 -0.36 0.00 0.00 55.97 56.82 1qhc s LYS 61 Cb 0.00 -4.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.08 1qhc s LYS 61 CO 0.00 -1.76 1.32 1.21 -0.36 0.00 0.00 175.35 175.76 1qhc s ASN 62 N 5.88 6.92 0.16 1.43 3.04 -1.26 0.24 114.94 131.35 1qhc s ASN 62 Ca 0.80 2.14 -0.01 0.00 0.04 0.00 0.00 52.86 55.83 1qhc s ASN 62 Cb -0.24 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.86 1qhc s ASN 62 CO 0.33 -0.61 0.07 0.68 -3.04 0.00 0.00 177.10 174.53 1qhc s VAL 63 N 1.51 0.14 0.23 -5.21 -7.23 0.21 -4.91 120.40 105.15 1qhc s VAL 63 Ca 0.62 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 1qhc s VAL 63 Cb -0.32 -2.19 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 1qhc s VAL 63 CO 0.28 -0.33 1.02 0.00 -0.31 0.00 0.00 175.10 175.76 1qhc s ALA 64 N -4.03 3.35 0.53 1.32 0.00 -1.26 -3.52 121.76 118.15 1qhc s ALA 64 Ca 0.28 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 1qhc s ALA 64 Cb 0.07 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1qhc s ALA 64 CO 0.05 0.00 0.99 0.00 0.00 0.00 0.00 175.76 176.81 1qhc h LYS 66 N 0.81 0.00 -0.15 0.00 1.57 -1.94 -0.63 116.57 116.24 1qhc h LYS 66 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1qhc h LYS 66 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1qhc h LYS 66 CO 0.61 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 1qhc n ASN 67 N -4.08 1.66 0.00 0.86 6.94 -1.26 -4.93 115.26 114.44 1qhc n ASN 67 Ca 0.03 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 1qhc n ASN 67 Cb 0.35 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1qhc n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qhc n GLY 68 N 1.14 2.52 3.70 4.83 0.00 -0.24 -5.05 105.19 112.08 1qhc n GLY 68 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1qhc n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qhc s GLN 69 N -0.72 0.49 -0.07 1.61 -0.21 -1.26 -4.76 119.66 114.73 1qhc s GLN 69 Ca 0.00 0.44 0.10 0.00 0.02 0.00 0.00 55.36 55.91 1qhc s GLN 69 Cb 0.00 -1.75 0.15 0.00 1.00 0.00 0.00 33.01 32.41 1qhc s GLN 69 CO 0.00 -2.67 1.07 0.25 -2.12 0.00 0.00 175.29 171.81 1qhc n THR 70 N -4.12 1.42 -0.76 -0.19 -2.24 -1.26 -1.52 114.28 105.61 1qhc n THR 70 Ca 0.05 -1.62 -0.18 0.00 -2.27 0.00 0.00 64.05 60.03 1qhc n THR 70 Cb 0.58 0.13 0.06 0.00 -2.10 0.00 0.00 70.33 69.00 1qhc n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1qhc n ASN 71 N -0.97 5.70 -4.61 3.42 6.94 -1.26 -4.71 115.26 119.76 1qhc n ASN 71 Ca 0.08 -3.12 -0.31 0.00 -0.02 0.00 0.00 54.58 51.22 1qhc n ASN 71 Cb 0.46 -0.94 -0.09 0.00 -2.36 0.00 0.00 39.78 36.85 1qhc n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qhc s TYR 73 N -1.18 0.33 -0.12 0.00 1.51 0.62 -0.62 117.35 117.90 1qhc s TYR 73 Ca 0.21 -0.07 -0.05 0.00 -1.01 0.00 0.00 57.07 56.16 1qhc s TYR 73 Cb -0.11 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1qhc s TYR 73 CO 0.13 -0.01 0.05 -1.14 -1.11 0.00 0.00 175.55 173.47 1qhc s GLN 74 N -0.12 3.37 0.32 -0.62 0.74 0.14 -1.47 119.66 122.02 1qhc s GLN 74 Ca 0.01 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 54.81 1qhc s GLN 74 Cb -0.02 -3.00 -0.10 0.00 1.10 0.00 0.00 33.01 30.99 1qhc s GLN 74 CO -0.00 0.60 1.24 -1.54 -0.55 0.00 0.00 175.29 175.04 1qhc s SER 75 N -0.57 6.88 0.21 6.67 1.04 -0.22 -2.35 113.70 125.36 1qhc s SER 75 Ca 0.11 2.55 -0.03 0.00 0.48 0.00 0.00 55.95 59.06 1qhc s SER 75 Cb -0.12 -2.64 0.18 0.00 0.10 0.00 0.00 66.02 63.54 1qhc s SER 75 CO 0.02 -0.44 1.59 1.88 0.98 0.00 0.00 173.24 177.27 1qhc h TYR 76 N 3.43 0.79 -1.93 5.02 0.05 -1.96 -3.43 116.97 118.94 1qhc h TYR 76 Ca -0.48 -0.21 -0.49 0.00 0.05 0.00 0.00 58.73 57.59 1qhc h TYR 76 Cb 1.22 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.75 1qhc h TYR 76 CO 0.56 0.92 -0.46 -1.54 -1.05 0.00 0.00 178.16 176.60 1qhc s SER 77 N -6.82 5.40 0.50 3.88 1.04 -1.26 -5.05 113.70 111.39 1qhc s SER 77 Ca -0.08 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.76 1qhc s SER 77 Cb 0.12 -1.10 -0.08 0.00 0.10 0.00 0.00 66.02 65.06 1qhc s SER 77 CO 0.83 -0.28 0.98 0.42 0.98 0.00 0.00 173.24 176.17 1qhc s THR 78 N -2.25 4.51 0.16 2.02 -4.23 -1.26 -4.51 115.64 110.08 1qhc s THR 78 Ca 0.39 1.25 0.06 0.00 -1.18 0.00 0.00 61.69 62.21 1qhc s THR 78 Cb -0.07 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1qhc s THR 78 CO 0.26 -0.63 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.55 1qhc s MET 79 N -3.94 1.14 -0.28 3.99 -1.94 0.95 -4.85 119.30 114.37 1qhc s MET 79 Ca 0.59 -1.46 -0.28 0.00 -1.71 0.00 0.00 55.69 52.83 1qhc s MET 79 Cb -0.10 -0.82 0.01 0.00 2.01 0.00 0.00 34.83 35.94 1qhc s MET 79 CO 0.29 0.12 1.02 0.45 -0.01 0.00 0.00 175.02 176.89 1qhc s SER 80 N -3.11 6.96 0.12 3.03 0.15 -1.26 -1.69 113.70 117.90 1qhc s SER 80 Ca 0.17 1.13 0.04 0.00 0.70 0.00 0.00 55.95 58.00 1qhc s SER 80 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1qhc s SER 80 CO 0.03 -0.76 -0.11 0.27 1.20 0.00 0.00 173.24 173.87 1qhc s ILE 81 N 3.39 1.08 -0.14 6.45 -4.36 0.12 -0.21 121.20 127.53 1qhc s ILE 81 Ca 0.43 -1.81 -0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1qhc s ILE 81 Cb -0.14 -1.57 0.03 0.00 1.25 0.00 0.00 42.46 42.03 1qhc s ILE 81 CO 0.11 -0.61 -0.11 -0.89 0.24 0.00 0.00 174.94 173.69 1qhc s THR 82 N -2.74 1.32 -0.08 8.37 2.01 -0.18 -0.43 115.64 123.91 1qhc s THR 82 Ca 0.10 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 1qhc s THR 82 Cb -0.01 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1qhc s THR 82 CO 0.01 0.38 0.47 -1.81 -0.69 0.00 0.00 174.62 172.97 1qhc s ASP 83 N 1.58 6.74 -0.25 3.53 1.01 0.19 -0.94 116.67 128.54 1qhc s ASP 83 Ca 0.04 0.88 -0.00 0.00 0.71 0.00 0.00 52.55 54.18 1qhc s ASP 83 Cb -0.13 -2.29 0.04 0.00 1.01 0.00 0.00 42.92 41.55 1qhc s ASP 83 CO -0.09 0.09 -0.08 0.00 0.21 0.00 0.00 175.17 175.29 1qhc s ARG 85 N 1.26 2.09 0.31 0.00 1.70 -0.94 -1.24 118.95 122.12 1qhc s ARG 85 Ca -0.02 -0.94 -0.29 0.00 -0.47 0.00 0.00 55.73 54.01 1qhc s ARG 85 Cb -0.17 -2.06 -0.10 0.00 -0.57 0.00 0.00 34.95 32.04 1qhc s ARG 85 CO -0.05 0.56 1.28 -2.00 -1.08 0.00 0.00 175.30 174.00 1qhc s GLU 86 N -0.76 4.40 0.24 3.89 2.12 -0.23 0.56 118.70 128.92 1qhc s GLU 86 Ca 0.11 2.14 -0.06 0.00 0.36 0.00 0.00 54.97 57.52 1qhc s GLU 86 Cb -0.10 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 1qhc s GLU 86 CO -0.00 -0.14 0.51 0.95 -0.54 0.00 0.00 175.26 176.04 1qhc s THR 87 N -0.96 5.04 0.44 -1.70 -4.23 -0.66 -4.81 115.64 108.76 1qhc s THR 87 Ca 0.49 0.11 0.10 0.00 -1.18 0.00 0.00 61.69 61.22 1qhc s THR 87 Cb -0.38 -3.69 0.27 0.00 1.34 0.00 0.00 72.50 70.04 1qhc s THR 87 CO 0.49 -0.19 2.08 1.23 -0.54 0.00 0.00 174.62 177.70 1qhc h GLY 88 N 2.10 0.41 -2.68 3.99 0.00 -1.96 -1.65 103.07 103.29 1qhc h GLY 88 Ca -0.47 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1qhc h GLY 88 CO 0.68 0.15 0.06 -1.14 0.00 0.00 0.00 176.54 176.28 1qhc n SER 89 N -4.49 4.49 -4.20 0.19 3.41 -1.26 -4.74 113.62 107.01 1qhc n SER 89 Ca 0.02 -2.34 -0.32 0.00 -0.26 0.00 0.00 58.87 55.96 1qhc n SER 89 Cb 0.08 -0.87 -0.17 0.00 -0.26 0.00 0.00 64.21 62.99 1qhc n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qhc s SER 90 N 1.35 3.10 -0.05 4.04 0.15 -0.62 -4.81 113.70 116.86 1qhc s SER 90 Ca 0.04 -0.58 -0.02 0.00 0.70 0.00 0.00 55.95 56.10 1qhc s SER 90 Cb 0.04 -1.42 0.03 0.00 -1.71 0.00 0.00 66.02 62.95 1qhc s SER 90 CO 0.00 0.13 0.08 -1.59 1.20 0.00 0.00 173.24 173.06 1qhc s LYS 91 N 0.54 -0.03 0.30 5.44 0.00 -1.14 -4.88 119.74 119.97 1qhc s LYS 91 Ca -0.14 0.36 -0.28 0.00 0.00 0.00 0.00 55.97 55.91 1qhc s LYS 91 Cb -0.17 -0.35 -0.14 0.00 0.00 0.00 0.00 37.83 37.17 1qhc s LYS 91 CO 0.04 -0.26 1.00 0.98 0.00 0.00 0.00 175.35 177.12 1qhc n TYR 92 N 4.84 1.24 0.43 1.78 9.36 -1.26 0.06 117.16 133.61 1qhc n TYR 92 Ca -0.14 0.69 0.06 0.00 3.32 0.00 0.00 57.90 61.84 1qhc n TYR 92 Cb 0.50 -2.24 0.20 0.00 -0.63 0.00 0.00 39.34 37.17 1qhc n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1qhc n PRO 93 N 0.68 2.33 -2.89 2.98 -0.04 -1.26 -4.94 135.00 131.85 1qhc n PRO 93 Ca 0.09 -1.64 -0.43 0.00 -0.04 0.00 0.00 63.50 61.49 1qhc n PRO 93 Cb 0.33 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 1qhc n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qhc n ASN 94 N 0.68 6.31 -4.76 3.54 3.02 0.11 -5.02 115.26 119.13 1qhc n ASN 94 Ca 0.15 -3.39 -0.40 0.00 -0.03 0.00 0.00 54.58 50.91 1qhc n ASN 94 Cb 0.48 -1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.32 1qhc n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qhc s ALA 96 N -1.20 1.29 0.04 0.00 0.00 -1.26 -4.96 121.76 115.67 1qhc s ALA 96 Ca 0.47 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1qhc s ALA 96 Cb -0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1qhc s ALA 96 CO 0.43 0.29 -0.12 0.71 0.00 0.00 0.00 175.76 177.08 1qhc s TYR 97 N -0.24 1.05 -0.11 0.00 2.02 -1.26 -1.66 117.35 117.15 1qhc s TYR 97 Ca 0.03 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 1qhc s TYR 97 Cb -0.07 -0.62 -0.05 0.00 -0.40 0.00 0.00 41.96 40.82 1qhc s TYR 97 CO -0.00 0.01 0.36 0.21 -1.57 0.00 0.00 175.55 174.56 1qhc s LYS 98 N -1.23 4.14 -0.11 -0.62 2.47 0.19 -4.60 119.74 119.98 1qhc s LYS 98 Ca -0.01 0.25 -0.10 0.00 -1.56 0.00 0.00 55.97 54.55 1qhc s LYS 98 Cb -0.08 -3.36 -0.05 0.00 -1.46 0.00 0.00 37.83 32.88 1qhc s LYS 98 CO 0.01 0.37 0.22 0.99 0.16 0.00 0.00 175.35 177.11 1qhc s THR 99 N 0.00 5.36 -0.20 3.43 2.01 -1.26 -2.21 115.64 122.77 1qhc s THR 99 Ca 0.21 0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.57 1qhc s THR 99 Cb -0.14 -3.51 0.09 0.00 0.01 0.00 0.00 72.50 68.94 1qhc s THR 99 CO 0.08 0.56 0.19 -0.89 -0.69 0.00 0.00 174.62 173.87 1qhc s THR 100 N -0.65 -0.27 0.07 -0.82 2.01 -0.07 -4.98 115.64 110.94 1qhc s THR 100 Ca 0.16 -0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.74 1qhc s THR 100 Cb -0.13 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 1qhc s THR 100 CO 0.05 -0.26 0.78 -1.58 -0.69 0.00 0.00 174.62 172.93 1qhc s GLN 101 N 2.28 4.52 0.26 4.92 2.00 -1.26 0.57 119.66 132.95 1qhc s GLN 101 Ca 0.06 1.10 -0.17 0.00 -2.00 0.00 0.00 55.36 54.35 1qhc s GLN 101 Cb -0.16 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.32 1qhc s GLN 101 CO -0.13 0.34 0.61 0.00 -0.50 0.00 0.00 175.29 175.61 1qhc s ALA 102 N -0.28 -0.80 -0.25 1.58 0.00 0.42 -4.97 121.76 117.46 1qhc s ALA 102 Ca 0.38 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1qhc s ALA 102 Cb -0.21 0.94 0.07 0.00 0.00 0.00 0.00 23.12 23.92 1qhc s ALA 102 CO 0.24 -0.95 0.00 -0.80 0.00 0.00 0.00 175.76 174.25 1qhc s ASN 103 N -2.96 3.82 0.23 0.00 0.01 -1.26 -0.70 114.94 114.08 1qhc s ASN 103 Ca 0.16 -1.31 -0.03 0.00 -0.71 0.00 0.00 52.86 50.97 1qhc s ASN 103 Cb -0.04 -1.06 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 1qhc s ASN 103 CO 0.07 -0.30 0.22 -0.54 -1.51 0.00 0.00 177.10 175.05 1qhc s LYS 104 N 1.47 1.34 0.28 -0.60 1.02 -0.68 -4.78 119.74 117.79 1qhc s LYS 104 Ca -0.00 -1.60 -0.26 0.00 0.02 0.00 0.00 55.97 54.14 1qhc s LYS 104 Cb -0.18 0.32 -0.09 0.00 -0.52 0.00 0.00 37.83 37.36 1qhc s LYS 104 CO -0.11 -0.48 0.89 -1.01 -0.92 0.00 0.00 175.35 173.73 1qhc s HIS 105 N -4.02 3.76 0.18 3.18 3.76 0.14 -0.03 115.29 122.26 1qhc s HIS 105 Ca 0.36 1.73 0.06 0.00 -0.15 0.00 0.00 55.06 57.06 1qhc s HIS 105 Cb 0.05 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1qhc s HIS 105 CO 0.13 0.31 0.11 0.96 -0.85 0.00 0.00 174.74 175.40 1qhc s ILE 106 N -1.48 4.29 -0.16 0.60 -4.36 -1.26 -0.56 121.20 118.27 1qhc s ILE 106 Ca 0.46 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.63 1qhc s ILE 106 Cb -0.20 -3.21 0.03 0.00 1.25 0.00 0.00 42.46 40.33 1qhc s ILE 106 CO 0.25 -0.15 -0.12 -0.63 0.24 0.00 0.00 174.94 174.53 1qhc s ILE 107 N -1.82 1.55 0.24 8.37 1.01 0.94 -1.05 121.20 130.44 1qhc s ILE 107 Ca 0.30 -0.72 0.11 0.00 0.00 0.00 0.00 60.65 60.34 1qhc s ILE 107 Cb -0.09 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1qhc s ILE 107 CO 0.22 0.36 -0.20 0.68 0.00 0.00 0.00 174.94 176.01 1qhc s VAL 108 N 1.48 2.28 -0.11 2.92 -7.23 -0.54 -0.27 120.40 118.93 1qhc s VAL 108 Ca 0.03 -2.25 -0.04 0.00 -1.81 0.00 0.00 61.98 57.91 1qhc s VAL 108 Cb -0.14 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1qhc s VAL 108 CO -0.10 -0.36 0.04 0.00 -0.31 0.00 0.00 175.10 174.37 1qhc s ALA 109 N -2.34 3.40 0.15 1.32 0.00 -0.28 -0.27 121.76 123.73 1qhc s ALA 109 Ca 0.25 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.56 1qhc s ALA 109 Cb -0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1qhc s ALA 109 CO 0.12 0.50 -0.26 0.00 0.00 0.00 0.00 175.76 176.11 1qhc s GLU 111 N -2.25 1.13 0.10 0.00 2.02 -0.75 -4.88 118.70 114.08 1qhc s GLU 111 Ca 0.16 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1qhc s GLU 111 Cb -0.09 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1qhc s GLU 111 CO 0.07 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1qhc n GLY 112 N -0.22 -3.00 2.62 -1.39 0.00 -1.26 -2.32 105.19 99.61 1qhc n GLY 112 Ca -0.17 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 1qhc n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qhc s ASN 113 N -1.63 3.11 0.84 1.61 3.84 -1.26 -2.30 114.94 119.15 1qhc s ASN 113 Ca 0.00 -1.03 -0.10 0.00 0.21 0.00 0.00 52.86 51.93 1qhc s ASN 113 Cb 0.00 -0.41 0.10 0.00 -0.55 0.00 0.00 41.25 40.39 1qhc s ASN 113 CO 0.00 -0.39 1.12 -2.16 -2.79 0.00 0.00 177.10 172.88 1qhc s PRO 114 N 2.02 1.64 -0.71 0.43 0.04 -1.26 -5.09 135.00 132.07 1qhc s PRO 114 Ca 0.05 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.19 1qhc s PRO 114 Cb -0.16 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1qhc s PRO 114 CO -0.22 -2.13 1.22 -0.47 0.04 0.00 0.00 177.00 175.44 1qhc s TYR 115 N -2.77 2.37 0.21 0.56 5.04 -0.97 -4.86 117.35 116.92 1qhc s TYR 115 Ca 0.64 -0.09 0.07 0.00 -2.44 0.00 0.00 57.07 55.26 1qhc s TYR 115 Cb -0.20 -4.56 -0.05 0.00 0.35 0.00 0.00 41.96 37.50 1qhc s TYR 115 CO 0.57 -1.97 -0.13 0.14 -1.34 0.00 0.00 175.55 172.82 1qhc s VAL 116 N 5.41 1.66 0.28 3.14 -7.23 -0.98 -4.86 120.40 117.83 1qhc s VAL 116 Ca 0.34 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 1qhc s VAL 116 Cb -0.09 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.67 1qhc s VAL 116 CO 0.15 -0.57 1.33 -2.84 -0.31 0.00 0.00 175.10 172.86 1qhc s PRO 117 N -3.67 4.35 0.00 4.82 0.02 -1.26 -1.80 135.00 137.46 1qhc s PRO 117 Ca 0.23 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1qhc s PRO 117 Cb 0.00 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1qhc s PRO 117 CO 0.07 -0.24 0.00 1.33 -0.33 0.00 0.00 177.00 177.82 1qhc n VAL 118 N 1.58 0.00 -3.77 3.83 0.24 -0.12 -4.49 118.33 115.60 1qhc n VAL 118 Ca 0.03 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1qhc n VAL 118 Cb 0.42 0.88 -0.11 0.00 -1.47 0.00 0.00 33.84 33.56 1qhc n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1qhc s HIS 119 N -0.63 -0.32 -0.34 6.34 5.65 -1.17 -4.68 115.29 120.15 1qhc s HIS 119 Ca 0.00 0.76 -0.13 0.00 0.25 0.00 0.00 55.06 55.94 1qhc s HIS 119 Cb 0.00 0.11 -0.02 0.00 -1.18 0.00 0.00 32.58 31.49 1qhc s HIS 119 CO 0.00 -0.18 0.26 0.12 -0.65 0.00 0.00 174.74 174.29 1qhc s PHE 120 N 0.03 3.23 -0.17 3.88 2.19 -1.26 -1.12 117.98 124.75 1qhc s PHE 120 Ca -0.01 -0.17 -0.17 0.00 0.33 0.00 0.00 56.93 56.91 1qhc s PHE 120 Cb -0.02 -2.50 -0.13 0.00 -1.31 0.00 0.00 43.02 39.05 1qhc s PHE 120 CO 0.01 -0.36 0.12 0.22 1.83 0.00 0.00 175.22 177.03 1qhc h ASP 121 N 8.48 0.00 -5.38 6.13 3.58 -0.97 -3.49 116.42 124.78 1qhc h ASP 121 Ca -0.31 -0.35 0.18 0.00 0.42 0.00 0.00 57.03 56.96 1qhc h ASP 121 Cb 1.16 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.14 1qhc h ASP 121 CO 0.64 1.15 0.53 0.00 -2.88 0.00 0.00 179.24 178.68 1qhc s ALA 122 N -2.48 -1.64 0.04 -0.78 0.00 -1.10 -4.98 121.76 110.81 1qhc s ALA 122 Ca -0.22 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1qhc s ALA 122 Cb 0.04 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1qhc s ALA 122 CO 0.44 -1.05 -0.13 -1.54 0.00 0.00 0.00 175.76 173.48 1qhc s SER 123 N -3.10 1.51 0.00 0.00 1.04 -1.26 -0.04 113.70 111.84 1qhc s SER 123 Ca 0.16 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1qhc s SER 123 Cb -0.01 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1qhc s SER 123 CO 0.03 0.01 0.00 1.33 0.98 0.00 0.00 173.24 175.59