#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huz n LEU 11 N 0.00 2.06 -2.40 1.09 7.94 -1.26 -4.68 117.00 119.75 1huz n LEU 11 Ca 0.00 -0.07 -0.17 0.00 -1.11 0.00 0.00 56.01 54.66 1huz n LEU 11 Cb 0.00 -0.34 0.02 0.00 0.53 0.00 0.00 43.42 43.64 1huz n LEU 11 CO 0.00 0.67 0.10 0.59 -1.11 0.00 0.00 177.39 177.64 1huz n ASN 12 N -2.88 3.65 -0.25 1.96 4.13 -1.26 -4.80 115.26 115.81 1huz n ASN 12 Ca -0.30 -3.21 0.01 0.00 1.68 0.00 0.00 54.58 52.76 1huz n ASN 12 Cb 0.89 -0.42 0.13 0.00 -1.54 0.00 0.00 39.78 38.83 1huz n ASN 12 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1huz h GLY 13 N 2.48 1.06 2.00 7.41 0.00 -1.98 -2.32 103.07 111.73 1huz h GLY 13 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1huz h GLY 13 CO 0.61 0.09 -0.20 -1.33 0.00 0.00 0.00 176.54 175.71 1huz h GLY 14 N 0.64 0.00 0.48 4.60 0.00 -1.98 -0.31 103.07 106.50 1huz h GLY 14 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1huz h GLY 14 CO -0.25 0.00 -0.11 -2.22 0.00 0.00 0.00 176.54 173.97 1huz h ILE 15 N 0.00 1.48 0.63 2.60 2.04 -1.84 -2.76 117.51 119.66 1huz h ILE 15 Ca -0.00 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 1huz h ILE 15 Cb 0.37 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1huz h ILE 15 CO 0.03 0.43 -0.37 0.71 0.00 0.00 0.00 178.15 178.94 1huz h THR 16 N -0.46 0.00 -0.91 -0.27 1.35 -1.27 -2.16 112.91 109.19 1huz h THR 16 Ca -0.01 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.04 1huz h THR 16 Cb 0.75 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 67.00 1huz h THR 16 CO 0.02 0.00 -0.21 0.44 -0.25 0.00 0.00 175.52 175.53 1huz h ASP 17 N -0.94 -0.81 -0.70 5.36 3.32 -1.18 0.91 116.42 122.39 1huz h ASP 17 Ca -0.09 0.27 0.14 0.00 0.02 0.00 0.00 57.03 57.37 1huz h ASP 17 Cb 0.74 0.55 -0.09 0.00 0.22 0.00 0.00 39.33 40.75 1huz h ASP 17 CO 0.10 -0.30 0.21 -0.03 -1.72 0.00 0.00 179.24 177.50 1huz h MET 18 N 0.00 0.33 0.00 3.56 4.05 -1.24 -1.53 114.93 120.11 1huz h MET 18 Ca 0.45 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.74 1huz h MET 18 Cb 0.70 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1huz h MET 18 CO -0.93 0.22 -0.50 -0.07 0.23 0.00 0.00 176.91 175.86 1huz h LEU 19 N 0.34 0.00 -0.41 3.39 3.38 0.14 -2.14 115.31 120.02 1huz h LEU 19 Ca 0.38 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.20 1huz h LEU 19 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1huz h LEU 19 CO -0.43 0.50 -0.33 0.58 0.09 0.00 0.00 178.44 178.86 1huz h VAL 20 N 0.00 1.27 -0.01 1.22 2.07 -0.10 -0.70 116.25 120.00 1huz h VAL 20 Ca -0.01 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 1huz h VAL 20 Cb 1.02 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1huz h VAL 20 CO 0.07 0.51 -0.43 -0.08 0.02 0.00 0.00 177.57 177.65 1huz h GLU 21 N 0.78 0.03 0.00 1.57 4.81 -1.20 -0.28 114.58 120.30 1huz h GLU 21 Ca 0.08 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1huz h GLU 21 Cb 0.92 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1huz h GLU 21 CO 0.09 0.46 -0.65 -0.07 -0.73 0.00 0.00 179.01 178.10 1huz h LEU 22 N 0.03 0.00 0.10 1.64 3.38 -1.20 -2.96 115.31 116.30 1huz h LEU 22 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1huz h LEU 22 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1huz h LEU 22 CO 0.06 0.60 -0.05 0.00 0.09 0.00 0.00 178.44 179.14 1huz h ALA 23 N 1.40 -0.14 -0.88 1.53 0.00 0.15 -2.76 119.26 118.56 1huz h ALA 23 Ca -0.02 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.85 1huz h ALA 23 Cb 1.47 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 1huz h ALA 23 CO 0.08 -0.34 0.44 -0.91 0.00 0.00 0.00 179.25 178.51 1huz h ASN 24 N -0.61 0.48 -0.56 0.00 2.35 -1.17 -1.46 115.58 114.61 1huz h ASN 24 Ca -0.01 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1huz h ASN 24 Cb 0.49 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1huz h ASN 24 CO 0.02 0.14 -0.04 0.15 -1.65 0.00 0.00 177.43 176.05 1huz h PHE 25 N 0.55 1.13 0.00 1.19 3.57 -1.47 -0.50 116.94 121.42 1huz h PHE 25 Ca 0.51 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 1huz h PHE 25 Cb 0.84 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1huz h PHE 25 CO -0.10 1.02 -0.39 0.93 -2.23 0.00 0.00 178.31 177.54 1huz h GLU 26 N 0.93 0.00 0.00 1.11 4.39 -1.00 0.19 114.58 120.20 1huz h GLU 26 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1huz h GLU 26 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1huz h GLU 26 CO 0.04 0.39 0.00 1.17 -1.16 0.00 0.00 179.01 179.45 1huz n LYS 27 N -3.56 0.00 -0.30 2.33 4.81 -0.66 0.81 118.16 121.59 1huz n LYS 27 Ca -0.00 0.11 0.09 0.00 -0.87 0.00 0.00 58.31 57.64 1huz n LYS 27 Cb 0.52 -0.57 0.26 0.00 0.02 0.00 0.00 35.03 35.25 1huz n LYS 27 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1huz h ASN 28 N 0.00 0.43 0.00 3.14 2.35 -1.22 -2.43 115.58 117.85 1huz h ASN 28 Ca 0.00 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1huz h ASN 28 Cb 0.00 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1huz h ASN 28 CO 0.00 0.12 -0.92 0.52 -1.65 0.00 0.00 177.43 175.50 1huz n VAL 29 N -4.95 1.39 1.14 2.81 0.31 -0.03 -4.61 118.33 114.39 1huz n VAL 29 Ca 0.19 0.17 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 1huz n VAL 29 Cb 0.52 -2.29 0.55 0.00 -0.91 0.00 0.00 33.84 31.71 1huz n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1huz n SER 30 N -4.31 0.23 -1.44 4.52 3.41 -0.68 -4.92 113.62 110.43 1huz n SER 30 Ca -0.13 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.30 1huz n SER 30 Cb 0.48 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 1huz n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1huz n GLN 31 N -1.35 -1.34 -2.72 4.33 6.02 0.14 -4.94 117.38 117.53 1huz n GLN 31 Ca 0.09 1.16 -0.42 0.00 -0.01 0.00 0.00 57.00 57.82 1huz n GLN 31 Cb 0.31 -5.47 -0.03 0.00 1.02 0.00 0.00 30.24 26.07 1huz n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1huz s ALA 32 N -2.68 2.96 0.17 -1.58 0.00 0.24 -4.91 121.76 115.97 1huz s ALA 32 Ca 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 51.96 50.07 1huz s ALA 32 Cb 0.00 -4.07 0.07 0.00 0.00 0.00 0.00 23.12 19.12 1huz s ALA 32 CO 0.00 -3.05 1.77 0.97 0.00 0.00 0.00 175.76 175.45 1huz h ILE 33 N 6.05 1.20 -0.51 0.00 6.09 -1.92 -2.49 117.51 125.92 1huz h ILE 33 Ca -0.22 -0.54 -0.11 0.00 -1.37 0.00 0.00 64.86 62.62 1huz h ILE 33 Cb 1.05 0.50 -0.02 0.00 0.47 0.00 0.00 36.82 38.82 1huz h ILE 33 CO 1.23 0.22 -0.11 0.45 -3.07 0.00 0.00 178.15 176.88 1huz h HIS 34 N 0.78 1.10 -0.65 2.19 3.86 -1.95 -0.60 115.15 119.87 1huz h HIS 34 Ca 0.20 -0.23 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1huz h HIS 34 Cb 0.09 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1huz h HIS 34 CO -0.01 1.03 0.42 0.87 0.86 0.00 0.00 177.93 181.11 1huz h LYS 35 N 0.84 0.83 -0.86 2.45 1.57 -1.93 0.17 116.57 119.64 1huz h LYS 35 Ca 0.13 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1huz h LYS 35 Cb 0.67 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1huz h LYS 35 CO 0.05 0.55 0.53 -0.92 -0.57 0.00 0.00 179.45 179.09 1huz h TYR 36 N 0.86 1.12 -0.01 -1.35 3.20 -1.15 -0.91 116.97 118.72 1huz h TYR 36 Ca 0.25 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1huz h TYR 36 Cb -0.07 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.83 1huz h TYR 36 CO -0.03 0.73 -0.01 -0.91 -1.64 0.00 0.00 178.16 176.29 1huz h ASN 37 N 1.18 0.02 -0.04 -2.11 2.35 -0.55 -2.39 115.58 114.05 1huz h ASN 37 Ca 0.31 -0.57 0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1huz h ASN 37 Cb -0.08 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 1huz h ASN 37 CO -0.06 0.59 -0.33 0.00 -1.65 0.00 0.00 177.43 175.98 1huz h ALA 38 N 0.43 -0.45 -0.75 -0.83 0.00 -0.51 0.19 119.26 117.34 1huz h ALA 38 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1huz h ALA 38 Cb 0.59 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1huz h ALA 38 CO 0.00 -0.83 0.30 1.88 0.00 0.00 0.00 179.25 180.61 1huz h TYR 39 N -0.46 0.52 -0.30 0.00 0.99 -1.22 -0.96 116.97 115.55 1huz h TYR 39 Ca 0.07 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 1huz h TYR 39 Cb 0.56 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 1huz h TYR 39 CO -0.37 0.08 0.05 0.00 -0.00 0.00 0.00 178.16 177.93 1huz h ARG 40 N 0.46 0.49 0.48 4.88 2.47 -0.78 -1.88 114.38 120.50 1huz h ARG 40 Ca 0.40 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1huz h ARG 40 Cb 0.59 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1huz h ARG 40 CO -0.39 0.59 -0.23 -0.22 0.56 0.00 0.00 179.97 180.28 1huz h LYS 41 N 0.32 -0.62 -0.69 0.04 3.64 0.32 -2.51 116.57 117.07 1huz h LYS 41 Ca 0.09 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.64 1huz h LYS 41 Cb 0.33 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 1huz h LYS 41 CO 0.00 -0.38 0.24 0.00 -2.27 0.00 0.00 179.45 177.04 1huz h ALA 42 N -0.21 0.92 -0.21 5.00 0.00 -1.24 0.11 119.26 123.63 1huz h ALA 42 Ca -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1huz h ALA 42 Cb 0.53 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1huz h ALA 42 CO 0.11 -0.24 0.03 0.00 0.00 0.00 0.00 179.25 179.16 1huz h ALA 43 N 1.51 1.67 -0.03 0.00 0.00 -1.10 0.72 119.26 122.03 1huz h ALA 43 Ca 0.37 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 1huz h ALA 43 Cb 0.55 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1huz h ALA 43 CO -0.39 0.25 -0.74 1.03 0.00 0.00 0.00 179.25 179.40 1huz h SER 44 N 0.30 0.70 -0.53 0.00 0.87 -0.65 -2.31 113.55 111.93 1huz h SER 44 Ca 0.07 -0.73 -0.03 0.00 -1.23 0.00 0.00 61.79 59.88 1huz h SER 44 Cb 0.15 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1huz h SER 44 CO -0.00 1.33 0.22 0.58 -0.53 0.00 0.00 176.83 178.42 1huz h VAL 45 N 0.14 1.21 -0.36 2.23 2.07 -0.29 -2.84 116.25 118.41 1huz h VAL 45 Ca -0.08 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1huz h VAL 45 Cb 1.42 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1huz h VAL 45 CO 0.15 0.25 -0.28 0.40 0.02 0.00 0.00 177.57 178.11 1huz h ILE 46 N 0.71 1.28 0.00 4.57 2.04 -0.93 -2.74 117.51 122.43 1huz h ILE 46 Ca 0.18 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1huz h ILE 46 Cb 0.18 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1huz h ILE 46 CO -0.02 0.47 -0.04 0.00 0.00 0.00 0.00 178.15 178.56 1huz h ALA 47 N 1.04 1.30 -0.01 1.87 0.00 -1.27 -0.41 119.26 121.78 1huz h ALA 47 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1huz h ALA 47 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1huz h ALA 47 CO 0.07 0.05 -0.34 1.63 0.00 0.00 0.00 179.25 180.65 1huz n LYS 48 N -3.57 1.20 -2.48 0.00 5.02 -1.06 -4.92 118.16 112.36 1huz n LYS 48 Ca -0.02 -0.90 -0.43 0.00 -2.02 0.00 0.00 58.31 54.93 1huz n LYS 48 Cb 0.14 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1huz n LYS 48 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1huz s TYR 49 N -2.42 2.90 0.01 2.13 5.04 -0.16 -4.94 117.35 119.90 1huz s TYR 49 Ca 0.22 1.05 0.30 0.00 -2.44 0.00 0.00 57.07 56.21 1huz s TYR 49 Cb 0.19 -3.59 1.48 0.00 0.35 0.00 0.00 41.96 40.39 1huz s TYR 49 CO 0.52 -1.45 1.92 -1.00 -1.34 0.00 0.00 175.55 174.20 1huz h PRO 50 N 8.38 0.00 -6.37 4.97 0.14 -1.91 -3.45 132.00 133.76 1huz h PRO 50 Ca -0.25 0.00 -0.64 0.00 0.14 0.00 0.00 66.00 65.25 1huz h PRO 50 Cb 1.09 0.00 -0.12 0.00 0.14 0.00 0.00 31.00 32.11 1huz h PRO 50 CO 0.99 0.00 -0.67 -1.01 0.14 0.00 0.00 178.00 177.46 1huz s HIS 51 N -3.67 2.94 -0.42 1.56 3.76 -1.26 -5.07 115.29 113.14 1huz s HIS 51 Ca -0.01 -0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.56 1huz s HIS 51 Cb 0.09 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.28 1huz s HIS 51 CO 0.37 0.48 1.62 0.21 -0.85 0.00 0.00 174.74 176.56 1huz s LYS 52 N -2.44 3.34 0.16 1.40 2.47 -1.26 -4.84 119.74 118.57 1huz s LYS 52 Ca 0.26 1.04 -0.32 0.00 -1.56 0.00 0.00 55.97 55.39 1huz s LYS 52 Cb -0.11 -4.15 -0.11 0.00 -1.46 0.00 0.00 37.83 32.01 1huz s LYS 52 CO 0.18 -1.85 1.67 0.42 0.16 0.00 0.00 175.35 175.92 1huz s ILE 53 N 6.49 2.44 -1.17 5.43 1.01 -1.26 -4.93 121.20 129.20 1huz s ILE 53 Ca 0.68 0.24 0.12 0.00 0.00 0.00 0.00 60.65 61.69 1huz s ILE 53 Cb -0.17 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.17 1huz s ILE 53 CO 0.31 0.01 0.74 0.29 0.00 0.00 0.00 174.94 176.29 1huz n LYS 54 N 4.37 1.67 -3.74 2.79 4.76 -1.26 -5.04 118.16 121.71 1huz n LYS 54 Ca 0.15 -0.79 -0.08 0.00 -2.87 0.00 0.00 58.31 54.71 1huz n LYS 54 Cb 0.37 -1.16 -0.02 0.00 -1.84 0.00 0.00 35.03 32.39 1huz n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1huz s SER 55 N -1.38 -0.34 0.42 4.39 1.04 -1.26 -5.01 113.70 111.56 1huz s SER 55 Ca 0.11 -0.44 0.23 0.00 0.48 0.00 0.00 55.95 56.32 1huz s SER 55 Cb 0.09 0.69 0.35 0.00 0.10 0.00 0.00 66.02 67.25 1huz s SER 55 CO 0.26 -1.24 1.60 1.23 0.98 0.00 0.00 173.24 176.06 1huz h GLY 56 N 2.01 0.00 1.32 7.32 0.00 -1.83 -3.02 103.07 108.86 1huz h GLY 56 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 1huz h GLY 56 CO 0.27 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 176.21 1huz h ALA 57 N 2.03 0.54 -0.21 3.60 0.00 -1.95 -0.80 119.26 122.47 1huz h ALA 57 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1huz h ALA 57 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1huz h ALA 57 CO 0.00 0.69 -0.01 1.49 0.00 0.00 0.00 179.25 181.42 1huz h GLU 58 N 0.53 0.37 -0.88 0.00 4.81 -1.94 -3.14 114.58 114.32 1huz h GLU 58 Ca -0.00 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1huz h GLU 58 Cb 1.19 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1huz h GLU 58 CO 0.12 0.58 0.58 0.00 -0.73 0.00 0.00 179.01 179.56 1huz h ALA 59 N 0.78 1.37 -0.31 2.92 0.00 -1.40 -2.75 119.26 119.88 1huz h ALA 59 Ca 0.06 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1huz h ALA 59 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1huz h ALA 59 CO 0.01 0.58 0.23 -0.22 0.00 0.00 0.00 179.25 179.86 1huz h LYS 60 N 1.19 0.00 0.00 0.00 3.64 -1.09 -0.15 116.57 120.16 1huz h LYS 60 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1huz h LYS 60 Cb -0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1huz h LYS 60 CO -0.07 0.00 0.00 0.87 -2.27 0.00 0.00 179.45 177.98 1huz h LYS 61 N 0.00 0.00 -6.96 1.90 1.57 -1.52 -3.44 116.57 108.12 1huz h LYS 61 Ca 0.15 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.46 1huz h LYS 61 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1huz h LYS 61 CO -0.00 0.00 0.37 -0.51 -0.57 0.00 0.00 179.45 178.73 1huz s LEU 62 N -4.75 4.17 0.09 2.94 1.02 -0.07 -5.02 118.68 117.06 1huz s LEU 62 Ca 0.01 1.86 -0.31 0.00 0.02 0.00 0.00 54.13 55.72 1huz s LEU 62 Cb 0.08 -4.21 -0.07 0.00 0.02 0.00 0.00 46.19 42.02 1huz s LEU 62 CO 0.34 -0.29 1.26 -2.16 0.02 0.00 0.00 176.35 175.53 1huz s PRO 63 N -2.49 4.40 0.00 1.29 0.04 -1.26 -2.71 135.00 134.26 1huz s PRO 63 Ca 0.56 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1huz s PRO 63 Cb -0.17 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1huz s PRO 63 CO 0.22 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1huz n GLY 64 N 3.21 3.11 3.37 0.56 0.00 -1.26 -4.81 105.19 109.37 1huz n GLY 64 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1huz n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1huz s VAL 65 N -2.79 3.70 0.00 1.61 1.01 -1.10 -4.40 120.40 118.42 1huz s VAL 65 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1huz s VAL 65 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1huz s VAL 65 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1huz n GLY 66 N 4.67 6.91 0.14 4.51 0.00 -1.26 -4.56 105.19 115.60 1huz n GLY 66 Ca -0.17 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 1huz n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huz h THR 67 N 0.00 0.97 -0.21 2.61 1.03 -1.97 -0.32 112.91 115.02 1huz h THR 67 Ca 0.00 -0.10 -0.08 0.00 -0.01 0.00 0.00 66.41 66.21 1huz h THR 67 Cb 0.00 0.64 -0.01 0.00 -1.07 0.00 0.00 68.15 67.71 1huz h THR 67 CO 0.00 0.05 -0.24 0.11 -0.01 0.00 0.00 175.52 175.44 1huz h LYS 68 N 0.30 0.38 0.02 0.00 1.79 -2.00 -1.01 116.57 116.06 1huz h LYS 68 Ca 0.13 -0.13 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 1huz h LYS 68 Cb 0.06 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1huz h LYS 68 CO -0.10 0.60 -0.96 0.82 -1.08 0.00 0.00 179.45 178.72 1huz h ILE 69 N 0.34 1.60 -0.15 1.86 2.04 -1.92 -3.17 117.51 118.11 1huz h ILE 69 Ca 0.05 -3.02 -0.09 0.00 1.00 0.00 0.00 64.86 62.81 1huz h ILE 69 Cb 0.60 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1huz h ILE 69 CO 0.04 0.87 -0.27 0.00 0.00 0.00 0.00 178.15 178.79 1huz h ALA 70 N 0.97 0.23 -0.42 1.87 0.00 -0.71 -1.49 119.26 119.71 1huz h ALA 70 Ca -0.04 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.56 1huz h ALA 70 Cb 1.66 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1huz h ALA 70 CO 0.14 0.23 -0.11 0.93 0.00 0.00 0.00 179.25 180.44 1huz h GLU 71 N 0.06 -0.01 -0.78 0.00 5.08 -1.31 0.19 114.58 117.83 1huz h GLU 71 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1huz h GLU 71 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 1huz h GLU 71 CO 0.06 -0.00 0.48 0.87 -1.00 0.00 0.00 179.01 179.42 1huz h LYS 72 N -0.01 1.04 -0.32 2.33 1.57 -1.49 -1.78 116.57 117.91 1huz h LYS 72 Ca 0.20 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1huz h LYS 72 Cb 0.31 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1huz h LYS 72 CO -0.44 0.72 -0.10 0.82 -0.57 0.00 0.00 179.45 179.89 1huz h ILE 73 N 1.06 1.23 0.61 1.86 2.04 -0.30 -1.07 117.51 122.94 1huz h ILE 73 Ca 0.28 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1huz h ILE 73 Cb -0.07 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1huz h ILE 73 CO -0.06 0.33 -0.30 0.44 0.00 0.00 0.00 178.15 178.56 1huz h ASP 74 N 0.50 -0.71 -1.01 1.72 3.32 -0.23 -1.85 116.42 118.16 1huz h ASP 74 Ca 0.09 0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.41 1huz h ASP 74 Cb 0.47 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.10 1huz h ASP 74 CO 0.03 -0.50 0.63 -0.08 -1.72 0.00 0.00 179.24 177.59 1huz h GLU 75 N -0.83 0.53 -0.40 3.56 4.81 -1.29 -0.28 114.58 120.67 1huz h GLU 75 Ca -0.08 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1huz h GLU 75 Cb 0.64 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1huz h GLU 75 CO 0.13 0.35 -0.11 0.35 -0.73 0.00 0.00 179.01 179.01 1huz h PHE 76 N 0.54 0.87 0.04 0.92 3.57 -1.02 -2.46 116.94 119.41 1huz h PHE 76 Ca 0.60 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1huz h PHE 76 Cb 1.25 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1huz h PHE 76 CO -0.00 0.91 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.89 1huz h LEU 77 N 0.58 -0.05 -0.25 0.59 4.07 -0.30 0.32 115.31 120.28 1huz h LEU 77 Ca 0.10 -0.34 0.05 0.00 0.08 0.00 0.00 57.88 57.77 1huz h LEU 77 Cb 0.63 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 1huz h LEU 77 CO 0.04 0.31 -0.03 0.00 -1.08 0.00 0.00 178.44 177.68 1huz h ALA 78 N 0.51 0.19 0.00 1.53 0.00 -1.17 -3.33 119.26 117.00 1huz h ALA 78 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1huz h ALA 78 Cb 0.38 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1huz h ALA 78 CO 0.01 -0.45 -1.06 0.25 0.00 0.00 0.00 179.25 178.00 1huz n THR 79 N -5.19 0.00 -0.52 0.00 -2.24 -0.93 -5.03 114.28 100.38 1huz n THR 79 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1huz n THR 79 Cb 0.14 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1huz n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1huz n GLY 80 N 1.45 0.75 2.50 3.38 0.00 0.11 -5.02 105.19 108.36 1huz n GLY 80 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1huz n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1huz n LYS 81 N -2.17 0.61 -3.83 1.61 2.85 -1.19 -5.00 118.16 111.05 1huz n LYS 81 Ca 0.00 -1.26 -0.25 0.00 -1.05 0.00 0.00 58.31 55.75 1huz n LYS 81 Cb 0.00 1.62 -0.17 0.00 -0.65 0.00 0.00 35.03 35.83 1huz n LYS 81 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1huz s LEU 82 N 0.00 0.94 0.22 -5.58 2.96 -1.26 -3.63 118.68 112.33 1huz s LEU 82 Ca 0.12 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1huz s LEU 82 Cb -0.03 -0.64 0.19 0.00 0.50 0.00 0.00 46.19 46.21 1huz s LEU 82 CO 0.06 -0.18 1.85 0.03 -1.32 0.00 0.00 176.35 176.79 1huz h ARG 83 N 8.25 1.18 -0.94 1.98 3.08 -1.99 -1.23 114.38 124.70 1huz h ARG 83 Ca -0.23 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.70 1huz h ARG 83 Cb 1.13 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 1huz h ARG 83 CO 0.33 0.86 0.62 -0.22 -1.07 0.00 0.00 179.97 180.49 1huz h LYS 84 N 1.18 1.22 0.00 0.04 3.64 -1.99 -1.50 116.57 119.16 1huz h LYS 84 Ca 0.30 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 1huz h LYS 84 Cb 0.01 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 1huz h LYS 84 CO -0.05 0.81 -0.70 1.25 -2.27 0.00 0.00 179.45 178.48 1huz h LEU 85 N 1.26 0.00 -0.56 5.20 5.85 -1.86 -2.63 115.31 122.57 1huz h LEU 85 Ca 0.35 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.92 1huz h LEU 85 Cb -0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1huz h LEU 85 CO -0.09 0.70 -0.49 -0.33 -0.34 0.00 0.00 178.44 177.90 1huz h GLU 86 N 0.00 0.59 0.00 1.25 5.08 -0.28 -1.95 114.58 119.27 1huz h GLU 86 Ca -0.01 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 57.91 1huz h GLU 86 Cb 1.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1huz h GLU 86 CO 0.09 0.94 -0.48 0.87 -1.00 0.00 0.00 179.01 179.43 1huz h LYS 87 N 0.46 0.00 -0.05 2.33 1.57 -1.34 -2.18 116.57 117.37 1huz h LYS 87 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1huz h LYS 87 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1huz h LYS 87 CO 0.10 0.48 -0.11 0.82 -0.57 0.00 0.00 179.45 180.17 1huz h ILE 88 N 0.00 1.43 -0.03 1.86 2.04 -1.23 -0.96 117.51 120.63 1huz h ILE 88 Ca -0.00 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1huz h ILE 88 Cb 0.99 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1huz h ILE 88 CO 0.06 0.40 0.06 0.03 0.00 0.00 0.00 178.15 178.70 1huz h ARG 89 N -0.37 0.00 0.00 2.37 3.08 -1.23 -1.95 114.38 116.28 1huz h ARG 89 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1huz h ARG 89 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1huz h ARG 89 CO 0.02 0.00 -1.08 1.04 -1.07 0.00 0.00 179.97 178.88 1huz n GLN 90 N -3.42 0.33 -2.55 0.04 6.02 -0.83 -4.86 117.38 112.10 1huz n GLN 90 Ca -0.02 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.53 1huz n GLN 90 Cb 0.14 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 1huz n GLN 90 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1huz s ASP 91 N -4.06 7.00 0.12 1.08 3.68 -0.39 -4.92 116.67 119.18 1huz s ASP 91 Ca 0.03 1.47 -0.15 0.00 2.13 0.00 0.00 52.55 56.03 1huz s ASP 91 Cb 0.14 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 39.04 1huz s ASP 91 CO 0.81 -0.74 1.55 -0.78 0.13 0.00 0.00 175.17 176.14 1huz h ASP 92 N 7.89 0.69 -0.49 -0.34 3.58 -1.89 -1.68 116.42 124.18 1huz h ASP 92 Ca -0.22 -0.32 0.04 0.00 0.42 0.00 0.00 57.03 56.94 1huz h ASP 92 Cb 1.08 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 1huz h ASP 92 CO 0.98 0.85 0.26 0.00 -2.88 0.00 0.00 179.24 178.46 1huz h THR 93 N 0.52 0.99 -0.54 2.25 1.03 -1.95 0.05 112.91 115.26 1huz h THR 93 Ca 0.11 -0.18 0.05 0.00 -0.01 0.00 0.00 66.41 66.38 1huz h THR 93 Cb 0.51 0.43 -0.05 0.00 -1.07 0.00 0.00 68.15 67.97 1huz h THR 93 CO 0.03 0.09 0.28 0.28 -0.01 0.00 0.00 175.52 176.19 1huz h SER 94 N 0.52 0.40 1.13 0.00 0.02 -1.83 0.41 113.55 114.19 1huz h SER 94 Ca 0.21 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1huz h SER 94 Cb 0.09 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1huz h SER 94 CO -0.13 0.27 -0.48 0.77 -1.14 0.00 0.00 176.83 176.12 1huz h SER 95 N 0.53 0.00 0.30 3.07 4.64 -1.07 -2.79 113.55 118.24 1huz h SER 95 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1huz h SER 95 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1huz h SER 95 CO -0.16 0.48 -0.14 0.28 -0.87 0.00 0.00 176.83 176.41 1huz h SER 96 N 0.00 -0.34 -0.86 4.97 0.02 -0.26 -2.00 113.55 115.08 1huz h SER 96 Ca -0.00 -0.17 0.22 0.00 -0.84 0.00 0.00 61.79 61.00 1huz h SER 96 Cb 1.17 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 63.67 1huz h SER 96 CO 0.06 0.13 0.24 0.40 -1.14 0.00 0.00 176.83 176.52 1huz h ILE 97 N -0.97 0.35 -0.30 3.27 2.04 -1.02 -0.98 117.51 119.90 1huz h ILE 97 Ca -0.04 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 1huz h ILE 97 Cb 0.49 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1huz h ILE 97 CO 0.07 0.04 -0.34 -1.13 0.00 0.00 0.00 178.15 176.79 1huz h ASN 98 N 0.23 0.81 -0.20 1.72 -0.73 -1.54 -3.02 115.58 112.85 1huz h ASN 98 Ca 0.53 -0.48 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 1huz h ASN 98 Cb 1.05 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 1huz h ASN 98 CO -0.63 1.13 0.05 0.15 -0.37 0.00 0.00 177.43 177.76 1huz h PHE 99 N 0.51 0.34 -0.83 0.67 3.57 -0.43 -3.13 116.94 117.62 1huz h PHE 99 Ca 0.04 -0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1huz h PHE 99 Cb 0.92 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.46 1huz h PHE 99 CO 0.07 0.43 0.37 -0.07 -2.23 0.00 0.00 178.31 176.89 1huz h LEU 100 N 0.15 0.37 -1.94 0.59 3.38 -1.28 0.42 115.31 117.00 1huz h LEU 100 Ca 0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1huz h LEU 100 Cb 0.26 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1huz h LEU 100 CO 0.00 0.11 0.31 0.74 0.09 0.00 0.00 178.44 179.69 1huz h THR 101 N 0.49 0.00 0.00 0.22 2.02 -1.47 0.64 112.91 114.81 1huz h THR 101 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1huz h THR 101 Cb 0.77 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1huz h THR 101 CO -0.43 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.00 1huz n ARG 102 N -2.81 0.01 -3.13 6.66 1.74 0.15 -4.63 116.66 114.65 1huz n ARG 102 Ca -0.02 0.22 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 1huz n ARG 102 Cb 0.35 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1huz n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1huz s VAL 103 N -3.01 5.03 0.09 1.55 1.01 0.22 -5.01 120.40 120.28 1huz s VAL 103 Ca 0.08 1.18 -0.31 0.00 0.00 0.00 0.00 61.98 62.94 1huz s VAL 103 Cb 0.11 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1huz s VAL 103 CO 0.32 0.13 1.61 0.28 0.00 0.00 0.00 175.10 177.44 1huz s THR 104 N 1.79 3.00 0.00 3.92 -1.32 -1.26 -1.09 115.64 120.68 1huz s THR 104 Ca 0.29 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.30 1huz s THR 104 Cb -0.16 -3.34 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 1huz s THR 104 CO 0.11 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 1huz n GLY 105 N 3.90 0.93 3.74 6.08 0.00 -1.26 -4.01 105.19 114.58 1huz n GLY 105 Ca 0.15 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1huz n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1huz s ILE 106 N -1.21 5.28 0.08 -0.61 1.01 -0.25 -4.83 121.20 120.66 1huz s ILE 106 Ca 0.00 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1huz s ILE 106 Cb 0.00 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 1huz s ILE 106 CO 0.00 0.41 0.02 0.61 0.00 0.00 0.00 174.94 175.98 1huz n GLY 107 N 3.16 3.98 0.35 6.18 0.00 -1.26 -4.51 105.19 113.09 1huz n GLY 107 Ca -0.12 -2.01 0.16 0.00 0.00 0.00 0.00 46.02 44.06 1huz n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1huz h PRO 108 N 0.00 0.61 0.32 1.61 0.11 -1.90 -1.08 132.00 131.67 1huz h PRO 108 Ca -0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1huz h PRO 108 Cb 0.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1huz h PRO 108 CO 0.10 0.40 -0.16 0.77 -0.21 0.00 0.00 178.00 178.90 1huz h SER 109 N 0.63 -0.37 -0.50 -2.05 0.02 -1.96 -2.41 113.55 106.90 1huz h SER 109 Ca 0.63 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.42 1huz h SER 109 Cb 1.15 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1huz h SER 109 CO -0.45 -0.04 0.27 0.00 -1.14 0.00 0.00 176.83 175.46 1huz h ALA 110 N -0.17 0.65 -0.60 3.77 0.00 -1.90 -1.17 119.26 119.85 1huz h ALA 110 Ca -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1huz h ALA 110 Cb 0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1huz h ALA 110 CO 0.07 0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.89 1huz h ALA 111 N 1.11 0.76 -0.02 0.00 0.00 -1.27 0.15 119.26 119.98 1huz h ALA 111 Ca 0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1huz h ALA 111 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1huz h ALA 111 CO -0.03 0.17 -0.60 -0.09 0.00 0.00 0.00 179.25 178.70 1huz h ARG 112 N 0.79 0.08 -0.20 0.00 2.43 -1.27 -1.02 114.38 115.20 1huz h ARG 112 Ca 0.22 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1huz h ARG 112 Cb -0.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1huz h ARG 112 CO -0.06 0.66 -0.35 0.87 -1.51 0.00 0.00 179.97 179.58 1huz h LYS 113 N 0.06 0.59 0.95 0.20 1.57 -0.83 -1.46 116.57 117.64 1huz h LYS 113 Ca -0.01 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1huz h LYS 113 Cb 1.07 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1huz h LYS 113 CO 0.08 0.98 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.41 1huz h LEU 114 N 0.26 -1.08 -1.54 2.94 3.38 -0.61 -2.95 115.31 115.71 1huz h LEU 114 Ca 0.01 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1huz h LEU 114 Cb 0.94 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1huz h LEU 114 CO 0.08 -0.75 0.47 0.58 0.09 0.00 0.00 178.44 178.90 1huz h VAL 115 N -1.32 0.88 0.00 1.22 2.07 -0.90 0.18 116.25 118.37 1huz h VAL 115 Ca -0.13 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1huz h VAL 115 Cb 0.98 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1huz h VAL 115 CO 0.21 0.09 0.00 0.47 0.02 0.00 0.00 177.57 178.37 1huz n ASP 116 N -4.48 0.18 -0.55 0.57 8.00 -0.55 -1.94 116.55 117.78 1huz n ASP 116 Ca 0.12 0.56 0.05 0.00 0.71 0.00 0.00 54.79 56.23 1huz n ASP 116 Cb 0.41 -0.59 0.12 0.00 -0.02 0.00 0.00 41.12 41.04 1huz n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1huz n GLU 117 N -1.71 2.29 -0.27 -1.24 1.02 0.57 -4.99 120.64 116.31 1huz n GLU 117 Ca 0.02 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1huz n GLU 117 Cb 0.12 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1huz n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1huz n GLY 118 N 0.48 0.74 3.59 0.62 0.00 -0.82 -5.03 105.19 104.77 1huz n GLY 118 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1huz n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1huz s ILE 119 N -2.60 4.91 0.00 -0.61 1.01 -0.93 -4.79 121.20 118.18 1huz s ILE 119 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1huz s ILE 119 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1huz s ILE 119 CO 0.00 -0.19 0.00 0.29 0.00 0.00 0.00 174.94 175.04 1huz n LYS 120 N 5.96 2.07 -3.99 2.79 5.02 -1.26 -2.55 118.16 126.18 1huz n LYS 120 Ca -0.01 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 1huz n LYS 120 Cb 0.49 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.90 1huz n LYS 120 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1huz s THR 121 N -0.86 5.11 0.21 -0.18 2.01 -1.26 -4.75 115.64 115.91 1huz s THR 121 Ca 0.00 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 1huz s THR 121 Cb 0.00 -3.74 0.15 0.00 0.01 0.00 0.00 72.50 68.92 1huz s THR 121 CO 0.00 -0.28 1.81 0.25 -0.69 0.00 0.00 174.62 175.71 1huz h LEU 122 N 1.46 0.58 -0.38 4.42 5.85 -1.99 -1.11 115.31 124.13 1huz h LEU 122 Ca -0.51 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1huz h LEU 122 Cb 1.22 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1huz h LEU 122 CO 0.62 0.38 0.13 -0.08 -0.34 0.00 0.00 178.44 179.16 1huz h GLU 123 N 0.71 0.58 -0.91 1.25 4.81 -1.99 -1.88 114.58 117.16 1huz h GLU 123 Ca 0.30 -0.12 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 1huz h GLU 123 Cb 0.17 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1huz h GLU 123 CO -0.17 0.58 0.54 -0.44 -0.73 0.00 0.00 179.01 178.79 1huz h ASP 124 N 0.47 0.79 -0.86 1.04 3.32 -1.83 -1.08 116.42 118.27 1huz h ASP 124 Ca 0.12 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1huz h ASP 124 Cb 0.23 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1huz h ASP 124 CO -0.01 0.44 0.55 -0.07 -1.72 0.00 0.00 179.24 178.43 1huz h LEU 125 N 0.89 0.92 -1.69 1.55 4.07 -0.67 -2.13 115.31 118.23 1huz h LEU 125 Ca 0.44 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.36 1huz h LEU 125 Cb 0.41 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1huz h LEU 125 CO -0.25 0.63 -0.16 0.03 -1.08 0.00 0.00 178.44 177.60 1huz h ARG 126 N 1.07 0.00 -0.25 1.13 3.08 -0.42 -1.62 114.38 117.37 1huz h ARG 126 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1huz h ARG 126 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1huz h ARG 126 CO -0.12 0.16 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 1huz n LYS 127 N -3.63 2.27 -2.21 0.04 5.02 -0.87 -4.32 118.16 114.48 1huz n LYS 127 Ca -0.01 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1huz n LYS 127 Cb 0.29 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.87 1huz n LYS 127 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1huz n ASN 128 N 1.16 1.56 0.27 4.39 4.13 -0.65 -4.90 115.26 121.23 1huz n ASN 128 Ca 0.18 -2.19 0.15 0.00 1.68 0.00 0.00 54.58 54.40 1huz n ASN 128 Cb 0.54 -0.41 0.83 0.00 -1.54 0.00 0.00 39.78 39.20 1huz n ASN 128 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1huz h GLU 129 N 1.92 0.00 0.00 3.52 5.08 -1.65 0.19 114.58 123.64 1huz h GLU 129 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1huz h GLU 129 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1huz h GLU 129 CO 0.18 0.00 0.00 0.38 -1.00 0.00 0.00 179.01 178.57 1huz h ASP 130 N 0.00 0.00 0.62 1.42 3.04 -1.90 -1.67 116.42 117.94 1huz h ASP 130 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1huz h ASP 130 Cb 0.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1huz h ASP 130 CO 0.00 0.00 -0.73 0.29 -2.04 0.00 0.00 179.24 176.76 1huz n LYS 131 N -2.56 0.21 -3.76 4.15 4.76 0.65 -4.93 118.16 116.68 1huz n LYS 131 Ca 0.01 0.03 -0.35 0.00 -2.87 0.00 0.00 58.31 55.14 1huz n LYS 131 Cb 0.23 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 31.76 1huz n LYS 131 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1huz s LEU 132 N -3.81 4.37 0.63 -0.35 1.43 -0.63 -5.11 118.68 115.21 1huz s LEU 132 Ca 0.07 0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1huz s LEU 132 Cb 0.15 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.75 1huz s LEU 132 CO 0.74 0.26 0.93 0.54 0.23 0.00 0.00 176.35 179.05 1huz s ASN 133 N -1.68 5.25 0.28 2.29 2.20 -1.26 -4.74 114.94 117.28 1huz s ASN 133 Ca 0.27 0.53 0.01 0.00 -0.94 0.00 0.00 52.86 52.73 1huz s ASN 133 Cb -0.13 -1.38 0.60 0.00 -2.00 0.00 0.00 41.25 38.34 1huz s ASN 133 CO 0.16 -1.28 1.78 -0.74 -2.94 0.00 0.00 177.10 174.08 1huz h HIS 134 N -0.31 0.91 -0.25 1.54 -0.00 -1.95 0.32 115.15 115.41 1huz h HIS 134 Ca -0.45 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 59.96 1huz h HIS 134 Cb 1.28 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 28.42 1huz h HIS 134 CO 0.41 0.24 0.16 1.25 -0.00 0.00 0.00 177.93 179.98 1huz h HIS 135 N 0.72 0.33 -0.29 5.26 -0.00 -1.88 -0.33 115.15 118.95 1huz h HIS 135 Ca 0.50 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.74 1huz h HIS 135 Cb 0.70 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1huz h HIS 135 CO -0.05 0.23 -0.38 1.96 -0.00 0.00 0.00 177.93 179.70 1huz h GLN 136 N 0.32 0.67 -0.67 5.26 4.20 -1.41 -0.68 115.11 122.80 1huz h GLN 136 Ca 0.09 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1huz h GLN 136 Cb -0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1huz h GLN 136 CO -0.02 0.94 0.38 0.00 -0.67 0.00 0.00 178.83 179.46 1huz h ARG 137 N 0.56 0.92 -0.20 1.46 2.47 -0.10 0.42 114.38 119.90 1huz h ARG 137 Ca 0.05 -0.10 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 1huz h ARG 137 Cb 0.90 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1huz h ARG 137 CO 0.08 0.68 -0.50 0.82 0.56 0.00 0.00 179.97 181.61 1huz h ILE 138 N 0.91 1.32 -0.14 2.04 1.08 -0.95 -2.00 117.51 119.76 1huz h ILE 138 Ca 0.24 -1.73 -0.05 0.00 -0.39 0.00 0.00 64.86 62.93 1huz h ILE 138 Cb 0.02 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1huz h ILE 138 CO -0.04 0.54 -0.13 1.23 -0.69 0.00 0.00 178.15 179.06 1huz h GLY 139 N 1.07 0.24 0.71 5.37 0.00 -0.55 -2.17 103.07 107.74 1huz h GLY 139 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1huz h GLY 139 CO 0.10 0.14 -0.14 -2.00 0.00 0.00 0.00 176.54 174.63 1huz h LEU 140 N 0.21 0.34 0.11 3.11 5.85 -0.80 -1.65 115.31 122.48 1huz h LEU 140 Ca 0.04 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1huz h LEU 140 Cb 0.36 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1huz h LEU 140 CO 0.02 0.77 -0.37 0.50 -0.34 0.00 0.00 178.44 179.02 1huz h LYS 141 N -0.09 -0.53 -0.77 1.25 3.64 -0.74 -2.96 116.57 116.37 1huz h LYS 141 Ca 0.02 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1huz h LYS 141 Cb 0.68 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 1huz h LYS 141 CO 0.03 -0.35 0.10 0.66 -2.27 0.00 0.00 179.45 177.62 1huz n TYR 142 N -4.57 1.64 -0.38 1.91 4.02 -0.96 -4.73 117.16 114.10 1huz n TYR 142 Ca -0.06 -0.72 -0.04 0.00 -0.01 0.00 0.00 57.90 57.07 1huz n TYR 142 Cb 0.29 -0.47 -0.00 0.00 -0.02 0.00 0.00 39.34 39.14 1huz n TYR 142 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1huz n PHE 143 N 0.20 -0.12 -0.28 -0.72 7.35 -0.62 -0.94 117.46 122.34 1huz n PHE 143 Ca 0.25 1.18 -0.05 0.00 -0.76 0.00 0.00 57.45 58.06 1huz n PHE 143 Cb 1.02 -0.77 0.06 0.00 0.35 0.00 0.00 39.48 40.14 1huz n PHE 143 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1huz h GLU 144 N 0.00 1.07 -0.40 -4.13 3.07 -1.86 -2.73 114.58 109.59 1huz h GLU 144 Ca 0.27 -0.13 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 1huz h GLU 144 Cb 0.51 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1huz h GLU 144 CO -0.93 0.81 -0.21 -0.44 -1.40 0.00 0.00 179.01 176.84 1huz h ASP 145 N 1.06 0.80 0.95 1.42 5.19 -1.37 -2.58 116.42 121.89 1huz h ASP 145 Ca 0.27 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1huz h ASP 145 Cb 0.06 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 1huz h ASP 145 CO -0.04 0.99 -0.05 -0.26 -3.12 0.00 0.00 179.24 176.76 1huz h PHE 146 N 0.69 0.00 -0.07 4.55 0.04 -0.85 -2.48 116.94 118.82 1huz h PHE 146 Ca 0.10 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.77 1huz h PHE 146 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1huz h PHE 146 CO 0.04 0.05 -0.39 0.93 -0.60 0.00 0.00 178.31 178.34 1huz h GLU 147 N 0.00 0.16 -6.70 1.51 4.39 -1.16 -3.44 114.58 109.33 1huz h GLU 147 Ca -0.00 -0.07 -0.52 0.00 0.34 0.00 0.00 59.36 59.11 1huz h GLU 147 Cb 0.54 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1huz h GLU 147 CO 0.01 0.53 0.62 0.15 -1.16 0.00 0.00 179.01 179.15 1huz s LYS 148 N -4.17 4.42 0.66 2.33 1.02 -0.93 -5.04 119.74 118.03 1huz s LYS 148 Ca -0.04 2.02 -0.06 0.00 0.02 0.00 0.00 55.97 57.90 1huz s LYS 148 Cb 0.14 -3.19 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1huz s LYS 148 CO 0.75 -0.18 0.97 1.03 -0.92 0.00 0.00 175.35 177.01 1huz s ARG 149 N -0.38 2.49 -0.17 1.68 0.52 -1.26 -4.93 118.95 116.89 1huz s ARG 149 Ca 0.54 -0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 55.59 1huz s ARG 149 Cb -0.36 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.90 1huz s ARG 149 CO 0.39 -1.03 -0.10 0.42 0.02 0.00 0.00 175.30 175.01 1huz s ILE 150 N -3.15 3.14 0.25 1.52 1.01 -0.82 -4.92 121.20 118.23 1huz s ILE 150 Ca 0.58 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 1huz s ILE 150 Cb -0.11 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.90 1huz s ILE 150 CO 0.45 0.49 1.26 -2.84 0.00 0.00 0.00 174.94 174.29 1huz s PRO 151 N 0.86 4.44 0.65 2.79 0.02 -1.26 -2.46 135.00 140.04 1huz s PRO 151 Ca -0.03 2.03 0.38 0.00 0.02 0.00 0.00 61.00 63.40 1huz s PRO 151 Cb -0.15 -3.16 2.07 0.00 0.02 0.00 0.00 34.50 33.28 1huz s PRO 151 CO 0.01 -0.13 2.20 -0.09 -0.33 0.00 0.00 177.00 178.66 1huz h ARG 152 N 4.49 0.00 0.00 5.54 2.43 -1.33 0.32 114.38 125.83 1huz h ARG 152 Ca -0.46 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1huz h ARG 152 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1huz h ARG 152 CO 0.72 0.00 -0.17 0.93 -1.51 0.00 0.00 179.97 179.93 1huz h GLU 153 N 0.00 0.00 0.02 0.20 5.08 -1.90 0.19 114.58 118.16 1huz h GLU 153 Ca 0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.04 1huz h GLU 153 Cb 0.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1huz h GLU 153 CO -0.00 0.17 -2.01 0.39 -1.00 0.00 0.00 179.01 176.57 1huz n GLU 154 N -3.35 0.67 -0.15 2.33 1.02 0.10 -3.08 120.64 118.18 1huz n GLU 154 Ca 0.00 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.23 1huz n GLU 154 Cb 0.39 -1.68 0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1huz n GLU 154 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1huz h MET 155 N 0.01 0.96 -0.23 3.49 2.86 -0.92 -0.02 114.93 121.07 1huz h MET 155 Ca -0.40 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 56.80 1huz h MET 155 Cb 2.08 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.69 1huz h MET 155 CO 0.05 1.06 -0.04 -0.07 1.06 0.00 0.00 176.91 178.97 1huz h LEU 156 N 0.83 0.44 -0.05 1.22 3.38 -0.79 -0.70 115.31 119.64 1huz h LEU 156 Ca 0.11 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1huz h LEU 156 Cb 0.76 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1huz h LEU 156 CO 0.06 0.69 -0.17 1.56 0.09 0.00 0.00 178.44 180.67 1huz h GLN 157 N 0.19 -0.24 -0.05 1.13 4.20 -1.44 -1.42 115.11 117.47 1huz h GLN 157 Ca 0.06 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1huz h GLN 157 Cb 0.48 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1huz h GLN 157 CO 0.02 -0.16 0.06 0.52 -0.67 0.00 0.00 178.83 178.60 1huz h MET 158 N -0.25 0.00 -0.09 1.46 2.86 -0.86 -1.89 114.93 116.15 1huz h MET 158 Ca 0.07 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 1huz h MET 158 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1huz h MET 158 CO -0.20 0.00 -0.63 0.37 1.06 0.00 0.00 176.91 177.51 1huz h GLN 159 N 0.00 0.35 0.00 1.72 4.15 0.01 -2.98 115.11 118.35 1huz h GLN 159 Ca 0.03 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.13 1huz h GLN 159 Cb 0.15 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1huz h GLN 159 CO -0.00 0.86 -0.34 -0.44 -1.93 0.00 0.00 178.83 176.98 1huz h ASP 160 N 0.25 0.00 0.04 -0.69 3.32 -1.14 -0.75 116.42 117.45 1huz h ASP 160 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1huz h ASP 160 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1huz h ASP 160 CO 0.10 0.34 -0.02 0.40 -1.72 0.00 0.00 179.24 178.34 1huz h ILE 161 N 0.00 1.32 0.70 0.35 2.04 -1.54 0.11 117.51 120.49 1huz h ILE 161 Ca -0.00 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 1huz h ILE 161 Cb 0.90 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1huz h ILE 161 CO 0.04 0.37 -0.43 0.58 0.00 0.00 0.00 178.15 178.72 1huz h VAL 162 N -0.80 0.13 0.03 1.67 2.07 -1.47 -0.46 116.25 117.42 1huz h VAL 162 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1huz h VAL 162 Cb 0.66 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1huz h VAL 162 CO 0.01 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 177.44 1huz h LEU 163 N -1.06 -0.25 -2.09 2.57 3.38 -1.25 0.28 115.31 116.89 1huz h LEU 163 Ca -0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1huz h LEU 163 Cb 0.86 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1huz h LEU 163 CO 0.09 -0.13 0.00 0.78 0.09 0.00 0.00 178.44 179.26 1huz h ASN 164 N -0.17 0.00 0.07 -0.43 4.21 -0.71 -2.65 115.58 115.90 1huz h ASN 164 Ca 0.03 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.17 1huz h ASN 164 Cb 0.20 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.36 1huz h ASN 164 CO -0.07 0.00 -2.09 -0.62 -1.29 0.00 0.00 177.43 173.36 1huz n GLU 165 N -2.86 0.70 -0.30 0.81 -0.58 -0.19 -3.59 120.64 114.64 1huz n GLU 165 Ca -0.01 0.26 0.09 0.00 -0.42 0.00 0.00 57.16 57.08 1huz n GLU 165 Cb 0.14 -1.65 0.25 0.00 -0.57 0.00 0.00 31.44 29.61 1huz n GLU 165 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1huz h VAL 166 N -0.11 0.67 -0.00 2.62 2.07 -0.19 -1.67 116.25 119.63 1huz h VAL 166 Ca -0.48 -0.20 -0.22 0.00 0.82 0.00 0.00 66.70 66.63 1huz h VAL 166 Cb 1.90 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1huz h VAL 166 CO -0.02 0.11 -0.93 0.07 0.02 0.00 0.00 177.57 176.82 1huz h LYS 167 N 0.58 0.38 -0.07 1.57 2.10 -1.66 -3.06 116.57 116.40 1huz h LYS 167 Ca 0.49 -0.41 0.02 0.00 -2.00 0.00 0.00 60.65 58.75 1huz h LYS 167 Cb 0.77 0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1huz h LYS 167 CO -0.40 1.08 0.20 0.87 -2.00 0.00 0.00 179.45 179.20 1huz h LYS 168 N 0.22 0.00 0.00 0.07 1.57 -1.36 -2.77 116.57 114.29 1huz h LYS 168 Ca -0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1huz h LYS 168 Cb 1.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 1huz h LYS 168 CO 0.16 0.00 -1.02 -0.11 -0.57 0.00 0.00 179.45 177.91 1huz n LEU 169 N -3.27 1.85 -3.38 2.94 7.94 -1.11 -4.93 117.00 117.04 1huz n LEU 169 Ca -0.01 0.50 -0.11 0.00 -1.11 0.00 0.00 56.01 55.28 1huz n LEU 169 Cb 0.28 -0.89 -0.09 0.00 0.53 0.00 0.00 43.42 43.25 1huz n LEU 169 CO 0.20 -0.09 -0.09 -0.62 -1.11 0.00 0.00 177.39 175.68 1huz s ASP 170 N -6.31 0.55 0.35 1.96 -1.08 -1.06 -5.03 116.67 106.04 1huz s ASP 170 Ca -0.23 0.09 0.17 0.00 -0.52 0.00 0.00 52.55 52.05 1huz s ASP 170 Cb 0.05 0.93 0.94 0.00 -1.46 0.00 0.00 42.92 43.38 1huz s ASP 170 CO 0.40 -0.31 1.47 -0.65 0.52 0.00 0.00 175.17 176.60 1huz h PRO 171 N 8.22 0.00 -0.36 4.34 0.11 -1.74 0.13 132.00 142.69 1huz h PRO 171 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1huz h PRO 171 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1huz h PRO 171 CO 0.28 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 1huz n GLU 172 N -2.19 1.61 -3.69 1.05 -0.58 -1.26 -4.82 120.64 110.76 1huz n GLU 172 Ca -0.01 -0.77 -0.37 0.00 -0.42 0.00 0.00 57.16 55.59 1huz n GLU 172 Cb 0.23 -1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 29.75 1huz n GLU 172 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1huz s TYR 173 N -1.67 3.65 -0.09 -0.32 4.12 0.45 -4.19 117.35 119.30 1huz s TYR 173 Ca 0.14 0.74 -0.01 0.00 0.02 0.00 0.00 57.07 57.96 1huz s TYR 173 Cb 0.08 -2.12 0.03 0.00 -1.52 0.00 0.00 41.96 38.43 1huz s TYR 173 CO 0.08 0.67 -0.03 0.42 0.02 0.00 0.00 175.55 176.71 1huz s ILE 174 N -0.96 0.66 0.01 2.71 1.01 -0.64 -4.70 121.20 119.29 1huz s ILE 174 Ca 0.19 -0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.86 1huz s ILE 174 Cb -0.14 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1huz s ILE 174 CO 0.08 0.30 -0.26 0.00 0.00 0.00 0.00 174.94 175.06 1huz s ALA 175 N 1.80 2.20 -0.06 9.38 0.00 -1.26 -1.07 121.76 132.75 1huz s ALA 175 Ca 0.04 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 1huz s ALA 175 Cb -0.12 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1huz s ALA 175 CO -0.06 0.53 0.05 0.99 0.00 0.00 0.00 175.76 177.27 1huz s THR 176 N -0.70 0.00 -0.47 0.00 2.01 -0.48 -4.93 115.64 111.07 1huz s THR 176 Ca 0.11 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 62.15 1huz s THR 176 Cb -0.10 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.17 1huz s THR 176 CO 0.00 0.16 1.03 0.54 -0.69 0.00 0.00 174.62 175.67 1huz s VAL 177 N 2.12 4.34 0.00 3.82 0.11 -1.26 0.52 120.40 130.05 1huz s VAL 177 Ca 0.05 0.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 1huz s VAL 177 Cb -0.12 -4.52 0.00 0.00 -1.53 0.00 0.00 36.38 30.20 1huz s VAL 177 CO -0.04 -0.93 0.00 0.00 -3.33 0.00 0.00 175.10 170.81 1huz n GLY 179 N 5.00 -1.18 0.17 0.00 0.00 -0.11 -2.97 105.19 106.10 1huz n GLY 179 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.93 1huz n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1huz h SER 180 N 0.00 0.00 0.57 1.61 4.64 -1.89 -2.65 113.55 115.82 1huz h SER 180 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1huz h SER 180 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1huz h SER 180 CO 0.00 0.00 -0.27 0.15 -0.87 0.00 0.00 176.83 175.84 1huz h PHE 181 N 0.00 -0.70 0.00 4.77 3.57 -1.86 -1.49 116.94 121.23 1huz h PHE 181 Ca 0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1huz h PHE 181 Cb 0.26 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1huz h PHE 181 CO 0.00 -0.44 -0.01 -0.09 -2.23 0.00 0.00 178.31 175.54 1huz h ARG 182 N -0.88 0.00 -0.90 1.11 2.43 -1.40 -1.60 114.38 113.14 1huz h ARG 182 Ca -0.08 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.85 1huz h ARG 182 Cb 0.58 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.99 1huz h ARG 182 CO 0.13 0.01 0.31 2.89 -1.51 0.00 0.00 179.97 181.80 1huz n ARG 183 N -3.54 2.50 -3.10 0.20 1.85 -1.02 -4.58 116.66 108.97 1huz n ARG 183 Ca -0.03 -2.15 -0.06 0.00 -1.00 0.00 0.00 57.85 54.61 1huz n ARG 183 Cb 0.10 -1.90 0.03 0.00 -1.05 0.00 0.00 32.46 29.64 1huz n ARG 183 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1huz n GLY 184 N -0.29 -1.17 3.35 2.89 0.00 -0.60 -3.77 105.19 105.60 1huz n GLY 184 Ca 0.35 0.50 -0.18 0.00 0.00 0.00 0.00 46.02 46.69 1huz n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huz s ALA 185 N -3.17 1.94 -0.18 4.61 0.00 -0.57 -4.97 121.76 119.42 1huz s ALA 185 Ca 0.20 -1.76 0.15 0.00 0.00 0.00 0.00 51.96 50.55 1huz s ALA 185 Cb -0.03 0.28 -0.21 0.00 0.00 0.00 0.00 23.12 23.16 1huz s ALA 185 CO 0.72 -0.15 0.04 0.39 0.00 0.00 0.00 175.76 176.77 1huz n GLU 186 N -0.43 1.07 -4.12 0.00 -0.58 -1.26 -4.76 120.64 110.56 1huz n GLU 186 Ca -0.06 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.42 1huz n GLU 186 Cb 0.63 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.99 1huz n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1huz s SER 187 N -5.24 5.33 -0.26 1.62 1.04 -1.26 -0.84 113.70 114.09 1huz s SER 187 Ca -0.10 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1huz s SER 187 Cb 0.05 -1.33 0.09 0.00 0.10 0.00 0.00 66.02 64.94 1huz s SER 187 CO 0.71 0.06 0.60 -0.94 0.98 0.00 0.00 173.24 174.65 1huz s SER 188 N -3.18 -0.86 0.45 7.02 1.04 -1.03 -4.77 113.70 112.36 1huz s SER 188 Ca 0.30 1.38 0.14 0.00 0.48 0.00 0.00 55.95 58.25 1huz s SER 188 Cb -0.09 1.55 1.06 0.00 0.10 0.00 0.00 66.02 68.64 1huz s SER 188 CO 0.22 -0.23 2.01 1.23 0.98 0.00 0.00 173.24 177.46 1huz h GLY 189 N 7.44 0.45 -1.84 7.32 0.00 -1.91 -2.19 103.07 112.34 1huz h GLY 189 Ca -0.26 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.04 1huz h GLY 189 CO 0.16 0.10 0.41 0.51 0.00 0.00 0.00 176.54 177.72 1huz s ASP 190 N -6.41 -0.12 -0.34 0.19 -4.77 -1.26 -4.68 116.67 99.28 1huz s ASP 190 Ca -0.07 -0.66 -0.16 0.00 -3.30 0.00 0.00 52.55 48.37 1huz s ASP 190 Cb 0.19 0.61 -0.01 0.00 -1.09 0.00 0.00 42.92 42.62 1huz s ASP 190 CO 0.74 -1.17 0.38 -0.32 0.70 0.00 0.00 175.17 175.50 1huz s MET 191 N -2.96 3.59 -0.33 2.11 -2.45 -0.96 -4.87 119.30 113.43 1huz s MET 191 Ca 0.15 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 54.14 1huz s MET 191 Cb -0.03 -3.80 0.02 0.00 1.25 0.00 0.00 34.83 32.27 1huz s MET 191 CO 0.06 -0.53 0.14 -0.51 1.05 0.00 0.00 175.02 175.23 1huz s ASP 192 N 1.73 5.43 -0.20 1.11 1.11 -1.26 -0.43 116.67 124.17 1huz s ASP 192 Ca 0.13 -0.85 -0.01 0.00 0.18 0.00 0.00 52.55 52.00 1huz s ASP 192 Cb -0.16 -1.95 0.01 0.00 1.07 0.00 0.00 42.92 41.89 1huz s ASP 192 CO 0.12 -0.28 -0.14 0.54 1.18 0.00 0.00 175.17 176.59 1huz s VAL 193 N 1.52 2.59 0.35 -1.27 0.11 -0.66 0.04 120.40 123.08 1huz s VAL 193 Ca 0.02 -0.76 -0.25 0.00 -2.93 0.00 0.00 61.98 58.06 1huz s VAL 193 Cb -0.18 -2.14 -0.10 0.00 -1.53 0.00 0.00 36.38 32.43 1huz s VAL 193 CO 0.05 0.49 0.95 -0.22 -3.33 0.00 0.00 175.10 173.04 1huz s LEU 194 N 1.37 4.25 -0.00 2.54 2.96 0.18 -1.88 118.68 128.10 1huz s LEU 194 Ca 0.05 1.82 0.02 0.00 -0.22 0.00 0.00 54.13 55.80 1huz s LEU 194 Cb -0.14 -4.13 -0.01 0.00 0.50 0.00 0.00 46.19 42.42 1huz s LEU 194 CO -0.09 -0.15 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.49 1huz s LEU 195 N -2.31 2.02 -0.01 -0.68 2.96 0.20 -1.38 118.68 119.48 1huz s LEU 195 Ca 0.53 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.20 1huz s LEU 195 Cb -0.17 -0.41 0.01 0.00 0.50 0.00 0.00 46.19 46.12 1huz s LEU 195 CO 0.22 0.09 0.16 0.28 -1.32 0.00 0.00 176.35 175.78 1huz s THR 196 N -0.22 0.07 -0.24 3.68 -1.32 -0.23 -1.71 115.64 115.66 1huz s THR 196 Ca 0.03 -0.56 -0.17 0.00 -1.21 0.00 0.00 61.69 59.78 1huz s THR 196 Cb -0.03 -0.43 0.07 0.00 -1.51 0.00 0.00 72.50 70.60 1huz s THR 196 CO -0.00 -0.31 0.62 -2.28 -2.21 0.00 0.00 174.62 170.44 1huz s HIS 197 N -1.14 -0.84 0.60 9.09 5.04 -1.26 -1.62 115.29 125.16 1huz s HIS 197 Ca -0.12 1.81 0.28 0.00 -1.54 0.00 0.00 55.06 55.49 1huz s HIS 197 Cb -0.06 0.41 1.31 0.00 0.04 0.00 0.00 32.58 34.28 1huz s HIS 197 CO 0.02 -0.42 1.72 -1.00 -2.34 0.00 0.00 174.74 172.71 1huz h PRO 198 N 6.29 0.00 0.00 2.88 0.13 -1.98 -0.33 132.00 138.98 1huz h PRO 198 Ca -0.31 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1huz h PRO 198 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1huz h PRO 198 CO 0.16 0.00 -0.24 -0.91 -0.23 0.00 0.00 178.00 176.78 1huz h ASN 199 N 0.00 0.00 -3.70 1.44 2.35 -1.97 -3.40 115.58 110.31 1huz h ASN 199 Ca 0.28 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.36 1huz h ASN 199 Cb 1.67 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.83 1huz h ASN 199 CO -0.00 0.24 -0.52 0.12 -1.65 0.00 0.00 177.43 175.62 1huz s PHE 200 N -3.61 3.20 0.17 1.19 5.99 -0.13 -4.91 117.98 119.87 1huz s PHE 200 Ca 0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 56.93 56.48 1huz s PHE 200 Cb 0.10 -2.40 -0.01 0.00 0.00 0.00 0.00 43.02 40.71 1huz s PHE 200 CO 0.64 -0.39 0.29 0.99 -0.00 0.00 0.00 175.22 176.76 1huz s THR 201 N 1.67 0.06 0.33 0.12 2.01 -1.26 -0.91 115.64 117.66 1huz s THR 201 Ca 0.05 -1.42 0.05 0.00 0.31 0.00 0.00 61.69 60.69 1huz s THR 201 Cb -0.17 -1.91 0.13 0.00 0.01 0.00 0.00 72.50 70.56 1huz s THR 201 CO 0.08 -0.26 1.83 0.28 -0.69 0.00 0.00 174.62 175.87 1huz h SER 202 N 2.52 0.41 -0.44 3.53 0.02 -1.96 -2.96 113.55 114.67 1huz h SER 202 Ca -0.31 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1huz h SER 202 Cb 1.23 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1huz h SER 202 CO 0.47 0.57 0.00 -1.84 -1.14 0.00 0.00 176.83 174.89 1huz n GLU 203 N -4.22 3.92 -4.15 3.45 -0.00 -1.26 -4.93 120.64 113.45 1huz n GLU 203 Ca 0.00 -2.39 -0.23 0.00 -0.00 0.00 0.00 57.16 54.55 1huz n GLU 203 Cb 0.31 -2.07 -0.06 0.00 -0.00 0.00 0.00 31.44 29.62 1huz n GLU 203 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1huz s SER 204 N -0.60 4.73 -0.03 -1.84 1.04 -1.12 -5.02 113.70 110.86 1huz s SER 204 Ca 0.41 -0.68 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 1huz s SER 204 Cb 0.31 -0.83 -0.21 0.00 0.10 0.00 0.00 66.02 65.39 1huz s SER 204 CO 0.13 -0.19 3.34 -1.54 0.98 0.00 0.00 173.24 175.96 1huz n SER 205 N -1.08 5.34 -0.41 7.02 3.41 -1.26 -4.88 113.62 121.76 1huz n SER 205 Ca -0.04 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 1huz n SER 205 Cb 0.60 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1huz n SER 205 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1huz n LYS 206 N 2.25 0.00 0.00 4.33 4.76 -1.26 -4.98 118.16 123.25 1huz n LYS 206 Ca 0.37 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1huz n LYS 206 Cb 0.84 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.03 1huz n LYS 206 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1huz n GLN 207 N -0.83 0.00 -0.15 1.97 7.27 -1.26 -4.87 117.38 119.52 1huz n GLN 207 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1huz n GLN 207 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 1huz n GLN 207 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1huz h PRO 208 N 0.00 0.93 -0.12 3.69 0.13 -1.94 -3.27 132.00 131.41 1huz h PRO 208 Ca 0.00 -0.40 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1huz h PRO 208 Cb 0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.10 1huz h PRO 208 CO 0.00 1.06 0.10 -0.22 -0.23 0.00 0.00 178.00 178.70 1huz h LYS 209 N 0.76 0.00 -0.85 0.86 3.64 -1.95 -1.87 116.57 117.17 1huz h LYS 209 Ca 0.10 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1huz h LYS 209 Cb 0.77 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 1huz h LYS 209 CO 0.06 0.00 0.55 -0.07 -2.27 0.00 0.00 179.45 177.72 1huz h LEU 210 N 0.00 0.75 0.06 5.20 3.38 -1.93 -1.92 115.31 120.86 1huz h LEU 210 Ca 0.06 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1huz h LEU 210 Cb 0.25 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1huz h LEU 210 CO -0.00 0.45 -0.40 0.25 0.09 0.00 0.00 178.44 178.83 1huz h LEU 211 N 0.83 0.21 -0.85 1.67 5.85 -1.56 -3.30 115.31 118.17 1huz h LEU 211 Ca 0.39 -0.97 0.21 0.00 0.84 0.00 0.00 57.88 58.35 1huz h LEU 211 Cb 0.40 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.23 1huz h LEU 211 CO -0.16 1.19 0.27 0.45 -0.34 0.00 0.00 178.44 179.86 1huz h HIS 212 N -0.71 0.44 0.14 1.25 3.86 -1.38 -0.94 115.15 117.80 1huz h HIS 212 Ca -0.07 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1huz h HIS 212 Cb 1.30 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.68 1huz h HIS 212 CO 0.24 -0.12 -0.28 0.00 0.86 0.00 0.00 177.93 178.63 1huz h ARG 213 N 0.29 -0.49 -0.75 2.45 3.08 -1.47 0.17 114.38 117.66 1huz h ARG 213 Ca 0.52 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.68 1huz h ARG 213 Cb 0.98 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 31.07 1huz h ARG 213 CO -0.57 -0.33 0.42 0.28 -1.07 0.00 0.00 179.97 178.70 1huz h VAL 214 N -0.51 0.93 0.34 2.04 2.07 -1.28 0.06 116.25 119.91 1huz h VAL 214 Ca 0.03 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1huz h VAL 214 Cb 0.53 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1huz h VAL 214 CO -0.15 0.13 -0.17 0.58 0.02 0.00 0.00 177.57 177.98 1huz h VAL 215 N 0.74 0.67 -0.75 2.57 2.07 -0.81 -1.93 116.25 118.79 1huz h VAL 215 Ca 0.35 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1huz h VAL 215 Cb 0.29 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1huz h VAL 215 CO -0.22 0.08 0.50 -0.33 0.02 0.00 0.00 177.57 177.61 1huz h GLU 216 N -0.68 0.75 0.50 1.57 5.08 -0.48 0.19 114.58 121.51 1huz h GLU 216 Ca -0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1huz h GLU 216 Cb 0.48 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1huz h GLU 216 CO 0.08 0.50 -0.24 0.37 -1.00 0.00 0.00 179.01 178.71 1huz h GLN 217 N 0.77 -0.64 -0.03 2.33 5.75 -0.93 -0.60 115.11 121.76 1huz h GLN 217 Ca 0.33 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.88 1huz h GLN 217 Cb 0.30 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 1huz h GLN 217 CO -0.12 -0.34 0.05 -0.07 -2.65 0.00 0.00 178.83 175.71 1huz h LEU 218 N -0.93 0.00 0.00 -2.39 3.38 -0.88 -0.76 115.31 113.73 1huz h LEU 218 Ca -0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.64 1huz h LEU 218 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1huz h LEU 218 CO 0.11 0.00 -1.13 -0.61 0.09 0.00 0.00 178.44 176.90 1huz h GLN 219 N 0.00 0.40 0.00 1.13 4.15 -0.32 -0.13 115.11 120.35 1huz h GLN 219 Ca 0.01 -0.54 -0.04 0.00 0.77 0.00 0.00 58.65 58.85 1huz h GLN 219 Cb 0.12 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1huz h GLN 219 CO -0.00 1.21 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.68 1huz h LYS 220 N 0.18 0.00 -0.59 1.69 3.64 0.41 -1.91 116.57 119.99 1huz h LYS 220 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1huz h LYS 220 Cb 1.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1huz h LYS 220 CO 0.20 0.21 0.00 0.28 -2.27 0.00 0.00 179.45 177.87 1huz n VAL 221 N -3.47 0.96 -2.38 2.00 0.31 -1.06 -4.91 118.33 109.77 1huz n VAL 221 Ca -0.00 -0.81 -0.20 0.00 -0.01 0.00 0.00 64.34 63.32 1huz n VAL 221 Cb 0.38 0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 33.57 1huz n VAL 221 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1huz n ARG 222 N 1.06 -1.73 -0.06 5.55 5.12 -0.72 -4.91 116.66 120.97 1huz n ARG 222 Ca 0.19 0.98 -0.03 0.00 -1.93 0.00 0.00 57.85 57.06 1huz n ARG 222 Cb 0.55 -5.64 -0.01 0.00 -1.16 0.00 0.00 32.46 26.21 1huz n ARG 222 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1huz h PHE 223 N 0.00 0.00 -2.99 -1.55 3.57 -1.23 -3.44 116.94 111.30 1huz h PHE 223 Ca -0.48 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.46 1huz h PHE 223 Cb 1.35 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 1huz h PHE 223 CO 0.57 0.00 0.83 0.42 -2.23 0.00 0.00 178.31 177.91 1huz s ILE 224 N -1.96 4.36 -0.24 1.41 1.01 -0.84 -1.36 121.20 123.58 1huz s ILE 224 Ca -0.10 1.65 -0.04 0.00 0.00 0.00 0.00 60.65 62.16 1huz s ILE 224 Cb 0.01 -4.06 -0.18 0.00 0.01 0.00 0.00 42.46 38.25 1huz s ILE 224 CO 0.15 -0.11 -0.14 0.35 0.00 0.00 0.00 174.94 175.20 1huz n THR 225 N 5.18 1.55 -4.38 2.92 -2.24 0.25 -4.50 114.28 113.06 1huz n THR 225 Ca 0.13 -0.52 -0.20 0.00 -2.27 0.00 0.00 64.05 61.19 1huz n THR 225 Cb 0.45 -1.59 -0.10 0.00 -2.10 0.00 0.00 70.33 67.00 1huz n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1huz s ASP 226 N -6.81 1.78 -0.11 3.42 1.01 -1.22 -4.96 116.67 109.78 1huz s ASP 226 Ca -0.33 -1.50 -0.00 0.00 0.71 0.00 0.00 52.55 51.43 1huz s ASP 226 Cb 0.10 0.26 0.02 0.00 1.01 0.00 0.00 42.92 44.31 1huz s ASP 226 CO 0.61 -0.80 -0.07 -0.89 0.21 0.00 0.00 175.17 174.22 1huz s THR 227 N -3.53 0.97 -0.17 -1.27 2.01 -1.26 -1.97 115.64 110.41 1huz s THR 227 Ca 0.34 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 1huz s THR 227 Cb 0.06 -1.00 -0.22 0.00 0.01 0.00 0.00 72.50 71.35 1huz s THR 227 CO 0.16 0.36 0.24 0.18 -0.69 0.00 0.00 174.62 174.86 1huz n LEU 228 N 4.91 2.25 -3.64 4.42 4.77 0.11 -4.82 117.00 125.00 1huz n LEU 228 Ca -0.13 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1huz n LEU 228 Cb 0.50 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 1huz n LEU 228 CO 0.16 0.57 0.18 -0.94 -1.33 0.00 0.00 177.39 176.04 1huz s SER 229 N -6.96 -0.31 -0.21 -1.43 1.04 -0.48 -4.56 113.70 100.78 1huz s SER 229 Ca -0.27 -0.03 -0.26 0.00 0.48 0.00 0.00 55.95 55.88 1huz s SER 229 Cb 0.07 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1huz s SER 229 CO 0.67 -0.71 0.69 -0.75 0.98 0.00 0.00 173.24 174.11 1huz s LYS 230 N -2.72 0.86 0.00 4.02 2.20 -1.26 -1.55 119.74 121.29 1huz s LYS 230 Ca -0.04 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1huz s LYS 230 Cb -0.00 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1huz s LYS 230 CO -0.04 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1huz n GLY 231 N 2.31 2.18 0.32 5.54 0.00 -0.60 -5.01 105.19 109.94 1huz n GLY 231 Ca -0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1huz n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1huz h GLU 232 N 0.00 -0.65 0.00 1.61 5.08 -1.95 -3.34 114.58 115.33 1huz h GLU 232 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1huz h GLU 232 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1huz h GLU 232 CO 0.00 -0.43 -0.79 0.25 -1.00 0.00 0.00 179.01 177.03 1huz n THR 233 N -4.32 0.25 -4.41 1.13 -2.24 -1.26 -4.59 114.28 98.84 1huz n THR 233 Ca -0.08 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 1huz n THR 233 Cb 0.30 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.42 1huz n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1huz s LYS 234 N -3.17 0.95 0.04 -0.78 2.20 -1.26 -0.57 119.74 117.16 1huz s LYS 234 Ca 0.05 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.42 1huz s LYS 234 Cb 0.14 -0.89 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1huz s LYS 234 CO 0.75 0.13 -0.23 0.12 -0.36 0.00 0.00 175.35 175.76 1huz s PHE 235 N 0.11 2.05 -0.20 4.03 5.36 0.67 -1.55 117.98 128.46 1huz s PHE 235 Ca -0.02 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.52 1huz s PHE 235 Cb -0.08 -1.24 0.09 0.00 -0.34 0.00 0.00 43.02 41.46 1huz s PHE 235 CO 0.00 0.09 0.21 1.41 -1.46 0.00 0.00 175.22 175.48 1huz s MET 236 N -1.14 0.18 0.00 10.12 -2.45 -0.59 -1.13 119.30 124.29 1huz s MET 236 Ca 0.09 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.71 1huz s MET 236 Cb -0.09 -1.26 0.00 0.00 1.25 0.00 0.00 34.83 34.73 1huz s MET 236 CO 0.02 -0.66 0.00 0.41 1.05 0.00 0.00 175.02 175.83 1huz n GLY 237 N 5.32 4.25 3.15 2.11 0.00 -0.65 0.10 105.19 119.46 1huz n GLY 237 Ca -0.06 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1huz n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1huz s VAL 238 N -0.16 0.98 0.24 1.61 1.01 -0.83 -2.09 120.40 121.15 1huz s VAL 238 Ca 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 1huz s VAL 238 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1huz s VAL 238 CO 0.00 -0.28 0.30 0.00 0.00 0.00 0.00 175.10 175.12 1huz s GLN 240 N -3.97 0.90 0.02 0.00 0.74 -0.46 -0.32 119.66 116.57 1huz s GLN 240 Ca 0.32 0.41 -0.29 0.00 0.05 0.00 0.00 55.36 55.86 1huz s GLN 240 Cb 0.03 0.42 -0.04 0.00 1.10 0.00 0.00 33.01 34.53 1huz s GLN 240 CO 0.13 -0.23 0.92 -0.51 -0.55 0.00 0.00 175.29 175.05 1huz s LEU 241 N -0.69 4.40 0.11 3.68 1.43 -1.26 -4.71 118.68 121.64 1huz s LEU 241 Ca -0.08 1.61 -0.33 0.00 -1.03 0.00 0.00 54.13 54.31 1huz s LEU 241 Cb -0.02 -3.48 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 1huz s LEU 241 CO 0.06 -0.16 1.76 -0.81 0.23 0.00 0.00 176.35 177.42 1huz n PRO 242 N 3.50 2.50 -2.10 1.29 -0.04 -1.26 -4.49 135.00 134.39 1huz n PRO 242 Ca 0.03 0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 63.99 1huz n PRO 242 Cb 0.51 -2.75 -0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1huz n PRO 242 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1huz n SER 243 N 4.98 7.14 0.26 3.54 2.88 -1.26 -4.67 113.62 126.48 1huz n SER 243 Ca 0.18 -3.13 0.17 0.00 -1.33 0.00 0.00 58.87 54.77 1huz n SER 243 Cb 0.33 -1.40 0.83 0.00 -0.75 0.00 0.00 64.21 63.23 1huz n SER 243 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1huz h GLU 244 N 4.96 0.00 -5.98 -1.46 5.08 -1.96 -3.40 114.58 111.82 1huz h GLU 244 Ca 0.60 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.35 1huz h GLU 244 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1huz h GLU 244 CO 1.53 0.00 -0.51 -0.80 -1.00 0.00 0.00 179.01 178.23 1huz s ASN 245 N -4.87 6.22 -1.45 1.42 0.01 -1.26 -5.02 114.94 109.99 1huz s ASN 245 Ca -0.04 0.21 -0.13 0.00 -0.71 0.00 0.00 52.86 52.19 1huz s ASN 245 Cb 0.12 -1.87 0.05 0.00 0.41 0.00 0.00 41.25 39.95 1huz s ASN 245 CO 0.39 0.15 2.24 -0.90 -1.51 0.00 0.00 177.10 177.47 1huz n ASP 246 N 0.18 4.41 -3.88 -1.22 5.75 -1.26 -4.87 116.55 115.65 1huz n ASP 246 Ca -0.06 -2.86 -0.09 0.00 -0.01 0.00 0.00 54.79 51.77 1huz n ASP 246 Cb 0.52 -1.63 -0.06 0.00 -1.03 0.00 0.00 41.12 38.92 1huz n ASP 246 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1huz s GLU 247 N 2.72 1.18 0.00 0.11 2.02 -1.26 -5.07 118.70 118.40 1huz s GLU 247 Ca 0.48 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1huz s GLU 247 Cb 0.14 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.78 1huz s GLU 247 CO -0.08 -0.45 0.00 0.09 0.02 0.00 0.00 175.26 174.84 1huz n ASN 248 N -0.23 0.00 -0.08 -0.19 3.02 -1.26 -4.82 115.26 111.70 1huz n ASN 248 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1huz n ASN 248 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1huz n ASN 248 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1huz n GLU 249 N 0.00 0.00 -0.98 3.52 0.28 -1.26 -5.08 120.64 117.12 1huz n GLU 249 Ca 0.00 0.06 -0.34 0.00 -0.16 0.00 0.00 57.16 56.72 1huz n GLU 249 Cb 0.00 -0.01 -0.03 0.00 1.43 0.00 0.00 31.44 32.83 1huz n GLU 249 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1huz n TYR 250 N 2.61 -0.18 -1.62 -1.84 4.02 -1.26 -4.92 117.16 113.96 1huz n TYR 250 Ca 0.00 0.68 -0.36 0.00 -0.01 0.00 0.00 57.90 58.21 1huz n TYR 250 Cb 0.00 -1.36 0.08 0.00 -0.02 0.00 0.00 39.34 38.03 1huz n TYR 250 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1huz s PRO 251 N -0.55 2.37 0.01 -0.72 0.02 -1.26 -4.79 135.00 130.08 1huz s PRO 251 Ca 0.48 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 1huz s PRO 251 Cb -0.69 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 1huz s PRO 251 CO 0.39 -1.72 1.12 -1.01 -0.33 0.00 0.00 177.00 175.45 1huz s HIS 252 N -1.54 3.46 0.11 6.54 3.76 -1.26 -4.65 115.29 121.71 1huz s HIS 252 Ca 0.81 1.43 0.03 0.00 -0.15 0.00 0.00 55.06 57.18 1huz s HIS 252 Cb -0.36 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 29.98 1huz s HIS 252 CO 0.42 -0.82 0.13 1.03 -0.85 0.00 0.00 174.74 174.64 1huz s ARG 253 N 1.35 3.00 0.12 1.40 1.81 0.56 -4.30 118.95 122.89 1huz s ARG 253 Ca 0.55 -0.71 -0.23 0.00 -1.72 0.00 0.00 55.73 53.63 1huz s ARG 253 Cb -0.25 -2.76 -0.07 0.00 -0.45 0.00 0.00 34.95 31.42 1huz s ARG 253 CO 0.27 0.54 0.68 1.03 -0.68 0.00 0.00 175.30 177.14 1huz s ARG 254 N -2.71 4.40 -0.04 3.54 1.81 -1.26 -0.07 118.95 124.62 1huz s ARG 254 Ca 0.31 0.96 -0.01 0.00 -1.72 0.00 0.00 55.73 55.27 1huz s ARG 254 Cb -0.11 -3.25 0.03 0.00 -0.45 0.00 0.00 34.95 31.16 1huz s ARG 254 CO 0.24 0.60 0.08 -1.50 -0.68 0.00 0.00 175.30 174.04 1huz s ILE 255 N -1.11 -0.05 -0.07 1.52 2.07 -0.89 -2.26 121.20 120.42 1huz s ILE 255 Ca 0.33 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.77 1huz s ILE 255 Cb -0.21 -0.15 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 1huz s ILE 255 CO 0.23 0.08 -0.09 -1.81 -1.91 0.00 0.00 174.94 171.43 1huz s ASP 256 N 1.05 4.42 -0.06 4.50 1.01 0.43 -1.64 116.67 126.38 1huz s ASP 256 Ca -0.08 -0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.08 1huz s ASP 256 Cb -0.12 -1.08 0.03 0.00 1.01 0.00 0.00 42.92 42.76 1huz s ASP 256 CO -0.04 0.35 -0.01 -0.63 0.21 0.00 0.00 175.17 175.05 1huz s ILE 257 N -0.73 0.36 -0.04 0.77 1.01 -0.29 -1.65 121.20 120.64 1huz s ILE 257 Ca 0.11 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1huz s ILE 257 Cb -0.11 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1huz s ILE 257 CO 0.01 0.23 -0.20 -0.60 0.00 0.00 0.00 174.94 174.38 1huz s ARG 258 N 1.60 1.94 -0.26 2.79 6.06 -0.79 -0.24 118.95 130.06 1huz s ARG 258 Ca -0.01 -0.72 -0.06 0.00 -2.50 0.00 0.00 55.73 52.44 1huz s ARG 258 Cb -0.13 -1.72 -0.01 0.00 0.06 0.00 0.00 34.95 33.15 1huz s ARG 258 CO -0.03 0.33 0.05 -1.17 -2.50 0.00 0.00 175.30 171.98 1huz s LEU 259 N -0.16 3.44 0.08 -0.88 2.96 0.27 0.60 118.68 124.98 1huz s LEU 259 Ca -0.00 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1huz s LEU 259 Cb -0.11 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1huz s LEU 259 CO 0.02 -0.08 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.18 1huz s ILE 260 N 1.54 2.97 0.17 6.68 -1.09 -0.70 -4.74 121.20 126.05 1huz s ILE 260 Ca 0.05 -1.31 -0.32 0.00 -2.23 0.00 0.00 60.65 56.84 1huz s ILE 260 Cb -0.16 -2.33 -0.11 0.00 -1.58 0.00 0.00 42.46 38.29 1huz s ILE 260 CO 0.02 0.20 1.69 -2.84 -1.23 0.00 0.00 174.94 172.78 1huz s PRO 261 N -1.88 4.16 0.20 2.79 0.02 -1.26 -4.55 135.00 134.47 1huz s PRO 261 Ca 0.17 2.52 0.03 0.00 0.02 0.00 0.00 61.00 63.74 1huz s PRO 261 Cb -0.11 -3.22 0.53 0.00 0.02 0.00 0.00 34.50 31.72 1huz s PRO 261 CO 0.09 -0.73 0.98 1.17 -0.33 0.00 0.00 177.00 178.18 1huz n LYS 262 N 4.39 -0.05 -0.26 5.54 3.00 -0.08 -0.12 118.16 130.57 1huz n LYS 262 Ca 0.16 0.92 0.02 0.00 -0.00 0.00 0.00 58.31 59.41 1huz n LYS 262 Cb 0.37 -1.49 0.13 0.00 0.00 0.00 0.00 35.03 34.04 1huz n LYS 262 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1huz n ASP 263 N -4.75 2.35 -0.28 3.14 5.68 -1.26 -3.26 116.55 118.17 1huz n ASP 263 Ca 0.16 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1huz n ASP 263 Cb 0.53 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1huz n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1huz n GLN 264 N 0.20 0.00 -0.30 0.11 6.02 0.83 -4.90 117.38 119.33 1huz n GLN 264 Ca 0.09 -0.75 0.14 0.00 -0.01 0.00 0.00 57.00 56.47 1huz n GLN 264 Cb 0.51 -0.48 0.31 0.00 1.02 0.00 0.00 30.24 31.60 1huz n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1huz h TYR 265 N 0.00 0.59 -0.02 1.08 3.20 -1.52 -2.61 116.97 117.68 1huz h TYR 265 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1huz h TYR 265 Cb 1.21 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1huz h TYR 265 CO 0.05 -0.10 0.02 1.88 -1.64 0.00 0.00 178.16 178.36 1huz h TYR 266 N 0.34 0.03 -0.96 -3.82 -1.99 -1.90 -0.66 116.97 108.01 1huz h TYR 266 Ca 0.57 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.31 1huz h TYR 266 Cb 1.12 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.79 1huz h TYR 266 CO -0.16 0.05 0.63 0.00 -0.00 0.00 0.00 178.16 178.68 1huz h GLY 268 N 1.29 0.00 1.01 0.00 0.00 -0.68 0.15 103.07 104.84 1huz h GLY 268 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.41 1huz h GLY 268 CO -0.08 0.00 -1.23 -0.39 0.00 0.00 0.00 176.54 174.84 1huz h VAL 269 N 0.00 1.36 0.49 4.60 -1.51 -0.58 -2.56 116.25 118.05 1huz h VAL 269 Ca -0.00 -2.63 -0.01 0.00 -1.23 0.00 0.00 66.70 62.83 1huz h VAL 269 Cb 0.34 3.10 -0.02 0.00 -2.13 0.00 0.00 31.29 32.58 1huz h VAL 269 CO 0.02 0.77 -0.41 0.25 -1.23 0.00 0.00 177.57 176.97 1huz h LEU 270 N -0.07 -1.09 -0.10 4.19 5.85 -0.58 0.29 115.31 123.80 1huz h LEU 270 Ca -0.22 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1huz h LEU 270 Cb 1.96 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 43.30 1huz h LEU 270 CO 0.22 -0.59 -0.15 0.22 -0.34 0.00 0.00 178.44 177.81 1huz h TYR 271 N -0.89 -0.38 0.00 1.25 3.20 -0.85 -1.29 116.97 118.01 1huz h TYR 271 Ca -0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1huz h TYR 271 Cb 0.77 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1huz h TYR 271 CO -0.19 -0.22 0.00 0.34 -1.64 0.00 0.00 178.16 176.46 1huz n PHE 272 N -5.29 0.00 -0.02 -3.82 -0.00 -0.96 -4.31 117.46 103.05 1huz n PHE 272 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.39 1huz n PHE 272 Cb 0.21 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.48 39.41 1huz n PHE 272 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1huz n THR 273 N -1.27 0.59 0.00 -2.13 -1.04 0.08 -0.94 114.28 109.57 1huz n THR 273 Ca 0.13 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1huz n THR 273 Cb 0.21 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 1huz n THR 273 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1huz n GLY 274 N 2.09 0.00 0.00 3.41 0.00 -0.54 -4.37 105.19 105.79 1huz n GLY 274 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1huz n GLY 274 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1huz n SER 275 N 0.00 0.00 -0.22 1.61 2.88 -1.26 -4.67 113.62 111.97 1huz n SER 275 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1huz n SER 275 Cb 0.00 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.00 1huz n SER 275 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1huz h ASP 276 N 0.00 0.34 0.17 -3.46 2.03 -1.91 0.24 116.42 113.83 1huz h ASP 276 Ca 0.00 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 56.33 1huz h ASP 276 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1huz h ASP 276 CO 0.00 0.14 -0.08 0.40 -1.03 0.00 0.00 179.24 178.67 1huz h ILE 277 N 0.34 0.92 -0.35 4.15 1.08 -1.91 -2.05 117.51 119.69 1huz h ILE 277 Ca 0.45 -1.01 0.04 0.00 -0.39 0.00 0.00 64.86 63.94 1huz h ILE 277 Cb 1.20 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 1huz h ILE 277 CO -0.15 0.21 0.13 0.15 -0.69 0.00 0.00 178.15 177.80 1huz h PHE 278 N -0.77 0.23 0.04 1.37 3.57 -1.50 -1.01 116.94 118.88 1huz h PHE 278 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1huz h PHE 278 Cb 0.52 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1huz h PHE 278 CO 0.07 0.10 -0.08 -0.91 -2.23 0.00 0.00 178.31 175.26 1huz h ASN 279 N 0.28 -0.23 -0.79 0.41 2.35 -0.64 0.24 115.58 117.19 1huz h ASN 279 Ca 0.15 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 56.03 1huz h ASN 279 Cb 0.12 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 1huz h ASN 279 CO -0.15 -0.13 0.44 0.11 -1.65 0.00 0.00 177.43 176.05 1huz h LYS 280 N -0.17 0.71 -0.30 0.81 6.56 -1.05 0.19 116.57 123.33 1huz h LYS 280 Ca 0.02 -0.04 -0.11 0.00 -1.06 0.00 0.00 60.65 59.46 1huz h LYS 280 Cb 0.18 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1huz h LYS 280 CO -0.05 0.47 -0.23 -0.91 -2.06 0.00 0.00 179.45 176.67 1huz h ASN 281 N 0.73 0.71 -0.54 0.86 2.35 -0.76 -2.09 115.58 116.85 1huz h ASN 281 Ca 0.38 -0.45 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1huz h ASN 281 Cb 0.37 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1huz h ASN 281 CO -0.25 1.01 0.00 -0.03 -1.65 0.00 0.00 177.43 176.51 1huz h MET 282 N 0.42 0.94 0.00 0.81 4.05 -0.57 -1.72 114.93 118.86 1huz h MET 282 Ca 0.06 -0.30 -0.08 0.00 -0.28 0.00 0.00 59.70 59.09 1huz h MET 282 Cb 0.78 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1huz h MET 282 CO 0.06 0.96 -0.40 0.00 0.23 0.00 0.00 176.91 177.75 1huz h ARG 283 N 0.82 0.00 -0.04 0.39 3.08 -0.63 -1.36 114.38 116.64 1huz h ARG 283 Ca 0.15 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 1huz h ARG 283 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1huz h ARG 283 CO 0.03 0.40 -0.37 0.00 -1.07 0.00 0.00 179.97 178.96 1huz h ALA 284 N 1.60 0.10 0.00 0.04 0.00 -1.14 -2.95 119.26 116.91 1huz h ALA 284 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1huz h ALA 284 Cb 0.74 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1huz h ALA 284 CO 0.05 0.21 -0.03 1.25 0.00 0.00 0.00 179.25 180.73 1huz h HIS 285 N -0.21 0.00 0.12 0.00 -0.00 -1.13 -2.10 115.15 111.83 1huz h HIS 285 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1huz h HIS 285 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 1huz h HIS 285 CO 0.14 0.03 -0.06 0.00 -0.00 0.00 0.00 177.93 178.05 1huz h ALA 286 N 1.97 -0.16 0.00 5.26 0.00 -1.20 -2.47 119.26 122.67 1huz h ALA 286 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1huz h ALA 286 Cb 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1huz h ALA 286 CO 0.00 -0.46 -0.02 -0.07 0.00 0.00 0.00 179.25 178.70 1huz h LEU 287 N -0.42 0.00 -0.85 0.00 3.38 -0.93 0.16 115.31 116.66 1huz h LEU 287 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1huz h LEU 287 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1huz h LEU 287 CO 0.03 0.02 0.41 -0.08 0.09 0.00 0.00 178.44 178.91 1huz h GLU 288 N 0.00 1.22 0.00 1.13 4.81 -0.96 -2.64 114.58 118.14 1huz h GLU 288 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1huz h GLU 288 Cb 0.05 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1huz h GLU 288 CO 0.00 0.94 -0.37 1.63 -0.73 0.00 0.00 179.01 180.48 1huz n LYS 289 N -4.31 0.01 -0.85 1.92 4.76 -0.37 -4.95 118.16 114.37 1huz n LYS 289 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1huz n LYS 289 Cb 0.14 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1huz n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1huz n GLY 290 N 1.49 0.83 2.99 0.72 0.00 -0.52 -5.01 105.19 105.69 1huz n GLY 290 Ca 0.06 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1huz n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1huz s PHE 291 N -2.17 0.41 -0.46 1.61 0.40 -0.10 -1.84 117.98 115.82 1huz s PHE 291 Ca 0.00 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1huz s PHE 291 Cb 0.00 -0.26 0.12 0.00 0.51 0.00 0.00 43.02 43.39 1huz s PHE 291 CO 0.00 -0.08 0.22 0.99 0.70 0.00 0.00 175.22 177.05 1huz s THR 292 N -0.91 2.88 0.32 0.64 2.01 -0.11 -2.07 115.64 118.40 1huz s THR 292 Ca -0.07 -2.67 -0.27 0.00 0.31 0.00 0.00 61.69 58.99 1huz s THR 292 Cb -0.07 -3.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1huz s THR 292 CO -0.00 -0.73 0.99 -0.63 -0.69 0.00 0.00 174.62 173.56 1huz s ILE 293 N 0.43 3.96 0.34 1.82 1.01 -1.26 -3.32 121.20 124.18 1huz s ILE 293 Ca 0.13 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.55 1huz s ILE 293 Cb -0.22 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1huz s ILE 293 CO -0.04 0.20 0.26 -3.20 0.00 0.00 0.00 174.94 172.16 1huz n ASN 294 N 0.66 -0.40 0.02 3.58 2.85 -0.25 -5.01 115.26 116.71 1huz n ASN 294 Ca 0.02 -3.16 0.13 0.00 -0.11 0.00 0.00 54.58 51.45 1huz n ASN 294 Cb 0.49 1.55 0.34 0.00 1.24 0.00 0.00 39.78 43.40 1huz n ASN 294 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1huz n GLU 295 N -0.67 0.06 0.00 1.20 0.00 -1.26 -4.42 120.64 115.55 1huz n GLU 295 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1huz n GLU 295 Cb 0.60 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.49 1huz n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1huz n TYR 296 N -1.65 0.00 -4.66 -1.84 0.53 -1.26 -1.29 117.16 107.00 1huz n TYR 296 Ca 0.05 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.64 1huz n TYR 296 Cb 0.36 -0.01 -0.08 0.00 -1.03 0.00 0.00 39.34 38.58 1huz n TYR 296 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1huz s THR 297 N -0.69 0.91 -0.48 -0.72 -4.23 -1.26 -4.46 115.64 104.71 1huz s THR 297 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1huz s THR 297 Cb 0.00 -2.24 0.32 0.00 1.34 0.00 0.00 72.50 71.92 1huz s THR 297 CO 0.00 0.00 0.78 0.00 -0.54 0.00 0.00 174.62 174.86 1huz n ILE 298 N -1.11 1.17 -1.69 2.99 0.13 -1.26 -1.09 119.36 118.50 1huz n ILE 298 Ca -0.13 -4.93 -0.30 0.00 -1.10 0.00 0.00 62.75 56.29 1huz n ILE 298 Cb 0.66 -1.11 0.09 0.00 -0.84 0.00 0.00 39.64 38.44 1huz n ILE 298 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1huz s ARG 299 N -2.62 2.06 0.11 9.51 1.70 -1.21 -3.43 118.95 125.07 1huz s ARG 299 Ca 0.42 0.44 0.04 0.00 -0.47 0.00 0.00 55.73 56.16 1huz s ARG 299 Cb 0.28 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 32.69 1huz s ARG 299 CO -0.10 -1.59 0.06 -1.25 -1.08 0.00 0.00 175.30 171.34 1huz s PRO 300 N -5.30 2.75 0.26 3.89 0.04 -1.26 -0.93 135.00 134.44 1huz s PRO 300 Ca 0.61 -0.81 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 1huz s PRO 300 Cb -0.13 -2.62 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 1huz s PRO 300 CO 0.53 0.53 1.18 -0.51 0.04 0.00 0.00 177.00 178.77 1huz s LEU 301 N -2.56 4.49 1.14 -3.56 1.02 -0.77 -1.77 118.68 116.68 1huz s LEU 301 Ca 0.28 2.36 -0.12 0.00 0.02 0.00 0.00 54.13 56.67 1huz s LEU 301 Cb -0.11 -3.62 0.27 0.00 0.02 0.00 0.00 46.19 42.74 1huz s LEU 301 CO 0.21 -0.31 1.02 0.61 0.02 0.00 0.00 176.35 177.90 1huz n GLY 302 N 1.46 -1.79 0.35 -3.19 0.00 0.17 -4.75 105.19 97.43 1huz n GLY 302 Ca 0.01 -1.11 0.17 0.00 0.00 0.00 0.00 46.02 45.10 1huz n GLY 302 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1huz h VAL 303 N -2.59 0.15 0.00 1.61 2.07 -1.95 -1.15 116.25 114.39 1huz h VAL 303 Ca -0.59 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.60 1huz h VAL 303 Cb 1.32 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1huz h VAL 303 CO 0.48 0.00 -2.25 1.07 0.02 0.00 0.00 177.57 176.89 1huz n THR 304 N -3.22 1.25 0.00 2.57 5.66 -1.26 -5.03 114.28 114.25 1huz n THR 304 Ca 0.00 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1huz n THR 304 Cb 0.39 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1huz n THR 304 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1huz n GLY 305 N 1.98 3.17 3.56 1.09 0.00 -0.44 -5.12 105.19 109.44 1huz n GLY 305 Ca -0.32 -0.42 -0.48 0.00 0.00 0.00 0.00 46.02 44.80 1huz n GLY 305 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1huz n VAL 306 N 0.00 0.35 -2.04 1.61 0.31 -1.26 -3.06 118.33 114.24 1huz n VAL 306 Ca 0.00 -0.27 -0.41 0.00 -0.01 0.00 0.00 64.34 63.66 1huz n VAL 306 Cb 0.00 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 30.96 1huz n VAL 306 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1huz s ALA 307 N 6.58 3.50 0.00 3.52 0.00 -1.26 -0.66 121.76 133.45 1huz s ALA 307 Ca 1.02 1.34 0.00 0.00 0.00 0.00 0.00 51.96 54.32 1huz s ALA 307 Cb -0.67 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1huz s ALA 307 CO 0.46 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1huz n GLY 308 N 0.71 2.95 3.75 0.00 0.00 -0.73 -4.86 105.19 107.00 1huz n GLY 308 Ca 0.00 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1huz n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1huz s GLU 309 N 1.10 4.23 0.20 1.61 0.41 -1.26 -4.52 118.70 120.46 1huz s GLU 309 Ca 0.00 2.37 -0.31 0.00 -0.41 0.00 0.00 54.97 56.62 1huz s GLU 309 Cb 0.00 -3.09 -0.10 0.00 -1.78 0.00 0.00 34.13 29.17 1huz s GLU 309 CO 0.00 -0.47 1.48 -1.25 -0.49 0.00 0.00 175.26 174.53 1huz s PRO 310 N -0.46 4.25 0.70 0.39 0.04 -1.26 -4.27 135.00 134.40 1huz s PRO 310 Ca 0.60 2.30 -0.14 0.00 0.04 0.00 0.00 61.00 63.80 1huz s PRO 310 Cb -0.43 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 30.99 1huz s PRO 310 CO 0.45 -0.49 1.12 -0.51 0.04 0.00 0.00 177.00 177.61 1huz s LEU 311 N 0.37 3.29 0.27 -3.56 2.01 -1.22 -4.91 118.68 114.92 1huz s LEU 311 Ca 0.64 2.02 -0.19 0.00 0.01 0.00 0.00 54.13 56.61 1huz s LEU 311 Cb -0.42 -4.55 -0.09 0.00 0.01 0.00 0.00 46.19 41.14 1huz s LEU 311 CO 0.37 -1.86 0.75 -2.84 1.01 0.00 0.00 176.35 173.79 1huz s PRO 312 N -4.25 4.20 0.09 1.29 0.02 -1.26 -4.65 135.00 130.44 1huz s PRO 312 Ca 0.67 0.86 0.01 0.00 0.02 0.00 0.00 61.00 62.56 1huz s PRO 312 Cb -0.21 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 1huz s PRO 312 CO 0.45 0.30 -0.06 0.14 -0.33 0.00 0.00 177.00 177.50 1huz s VAL 313 N -1.69 0.62 0.00 3.83 -7.23 -1.26 -4.97 120.40 109.70 1huz s VAL 313 Ca 0.48 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1huz s VAL 313 Cb -0.15 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1huz s VAL 313 CO 0.20 -0.84 0.68 0.47 -0.31 0.00 0.00 175.10 175.30 1huz n ASP 314 N 0.12 0.00 -3.61 4.85 8.00 -1.26 -5.06 116.55 119.59 1huz n ASP 314 Ca -0.13 -1.46 -0.01 0.00 0.71 0.00 0.00 54.79 53.89 1huz n ASP 314 Cb 0.60 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 1huz n ASP 314 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1huz s SER 315 N -0.46 -0.05 0.09 -2.24 1.04 -1.26 -4.99 113.70 105.83 1huz s SER 315 Ca 0.00 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 1huz s SER 315 Cb 0.00 0.07 -0.12 0.00 0.10 0.00 0.00 66.02 66.07 1huz s SER 315 CO 0.00 -0.12 1.69 -0.33 0.98 0.00 0.00 173.24 175.46 1huz h GLU 316 N 2.00 0.13 -1.27 4.02 5.08 -2.00 -2.41 114.58 120.13 1huz h GLU 316 Ca -0.13 -0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.62 1huz h GLU 316 Cb 1.16 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.26 1huz h GLU 316 CO 0.23 0.15 0.82 1.96 -1.00 0.00 0.00 179.01 181.17 1huz h GLN 317 N 0.06 0.13 -0.50 2.33 7.50 -1.99 0.42 115.11 123.07 1huz h GLN 317 Ca 0.03 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.11 1huz h GLN 317 Cb 0.06 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 1huz h GLN 317 CO -0.01 0.09 0.03 -0.44 -1.50 0.00 0.00 178.83 177.00 1huz h ASP 318 N 0.13 0.77 -0.31 1.46 5.19 -1.81 -2.53 116.42 119.32 1huz h ASP 318 Ca 0.78 -0.18 -0.08 0.00 -0.62 0.00 0.00 57.03 56.94 1huz h ASP 318 Cb 2.39 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 41.69 1huz h ASP 318 CO -0.40 0.82 -0.10 0.40 -3.12 0.00 0.00 179.24 176.84 1huz h ILE 319 N 0.76 1.29 0.56 0.35 2.04 -0.20 -3.14 117.51 119.16 1huz h ILE 319 Ca 0.15 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1huz h ILE 319 Cb 0.42 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1huz h ILE 319 CO 0.02 0.38 -0.45 -0.26 0.00 0.00 0.00 178.15 177.84 1huz h PHE 320 N 0.38 -1.21 -1.09 1.37 -1.00 -1.44 -2.88 116.94 111.07 1huz h PHE 320 Ca 0.07 0.00 0.31 0.00 2.81 0.00 0.00 57.97 61.16 1huz h PHE 320 Cb 0.61 0.46 -0.11 0.00 3.61 0.00 0.00 35.95 40.51 1huz h PHE 320 CO 0.05 -0.63 0.68 -0.44 -1.61 0.00 0.00 178.31 176.37 1huz h ASP 321 N -0.98 0.44 -0.58 2.17 3.32 -1.52 0.99 116.42 120.26 1huz h ASP 321 Ca -0.06 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1huz h ASP 321 Cb 0.83 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 1huz h ASP 321 CO -0.00 -0.00 0.26 1.88 -1.72 0.00 0.00 179.24 179.65 1huz h TYR 322 N 0.34 0.46 -0.55 4.55 -1.99 -1.45 0.10 116.97 118.43 1huz h TYR 322 Ca 0.67 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.43 1huz h TYR 322 Cb 1.72 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.33 1huz h TYR 322 CO -0.00 0.17 0.00 0.44 -0.00 0.00 0.00 178.16 178.76 1huz n ILE 323 N -4.93 1.06 -3.22 -2.88 -5.35 0.19 -4.99 119.36 99.24 1huz n ILE 323 Ca 0.07 -0.84 -0.12 0.00 -0.27 0.00 0.00 62.75 61.59 1huz n ILE 323 Cb 0.22 0.23 0.01 0.00 -1.74 0.00 0.00 39.64 38.35 1huz n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1huz n GLN 324 N 1.03 -1.71 -4.12 6.28 3.00 0.02 -4.97 117.38 116.91 1huz n GLN 324 Ca 0.20 1.49 -0.15 0.00 -0.01 0.00 0.00 57.00 58.53 1huz n GLN 324 Cb 0.59 -4.53 -0.13 0.00 0.00 0.00 0.00 30.24 26.17 1huz n GLN 324 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1huz s TRP 325 N -2.71 0.62 -0.34 1.08 0.52 -1.15 -4.98 118.94 111.97 1huz s TRP 325 Ca 0.11 -0.32 -0.28 0.00 0.02 0.00 0.00 56.10 55.64 1huz s TRP 325 Cb -0.02 -0.38 -0.03 0.00 -1.15 0.00 0.00 33.47 31.88 1huz s TRP 325 CO 0.80 -0.04 2.01 -0.98 0.02 0.00 0.00 176.95 178.76 1huz s ARG 326 N -0.93 3.05 -0.44 4.98 1.70 -1.26 -4.44 118.95 121.60 1huz s ARG 326 Ca -0.04 1.53 -0.39 0.00 -0.47 0.00 0.00 55.73 56.36 1huz s ARG 326 Cb -0.06 -4.32 -0.17 0.00 -0.57 0.00 0.00 34.95 29.83 1huz s ARG 326 CO 0.00 -2.20 1.89 0.98 -1.08 0.00 0.00 175.30 174.89 1huz n TYR 327 N 11.67 1.05 -2.75 5.89 4.19 -1.26 -4.81 117.16 131.14 1huz n TYR 327 Ca 0.26 0.69 -0.42 0.00 3.31 0.00 0.00 57.90 61.75 1huz n TYR 327 Cb 0.48 -2.03 -0.03 0.00 0.49 0.00 0.00 39.34 38.24 1huz n TYR 327 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 1huz s ARG 328 N 5.25 3.22 0.30 2.98 6.06 -1.26 -5.01 118.95 130.49 1huz s ARG 328 Ca 1.06 -0.79 -0.30 0.00 -2.50 0.00 0.00 55.73 53.20 1huz s ARG 328 Cb -1.33 -4.38 -0.12 0.00 0.06 0.00 0.00 34.95 29.17 1huz s ARG 328 CO 0.59 -1.94 1.45 -1.91 -2.50 0.00 0.00 175.30 170.99 1huz n GLU 329 N 8.15 2.37 -0.19 5.12 2.13 -1.26 -4.82 120.64 132.14 1huz n GLU 329 Ca 0.04 0.84 -0.02 0.00 0.66 0.00 0.00 57.16 58.68 1huz n GLU 329 Cb 0.47 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1huz n GLU 329 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1huz n PRO 330 N 1.48 -0.14 0.00 5.31 -0.02 -1.26 -0.32 135.00 140.04 1huz n PRO 330 Ca 0.07 0.74 0.04 0.00 -2.02 0.00 0.00 63.50 62.33 1huz n PRO 330 Cb 0.35 -1.10 0.22 0.00 -0.02 0.00 0.00 33.50 32.95 1huz n PRO 330 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1huz n LYS 331 N -4.68 0.22 -0.08 -0.52 4.01 -1.25 -1.26 118.16 114.60 1huz n LYS 331 Ca 0.04 0.03 0.05 0.00 -0.51 0.00 0.00 58.31 57.92 1huz n LYS 331 Cb 0.17 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.29 1huz n LYS 331 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1huz n ASP 332 N -1.03 2.34 -2.18 4.39 8.00 0.56 -4.74 116.55 123.88 1huz n ASP 332 Ca 0.05 -1.70 -0.23 0.00 0.71 0.00 0.00 54.79 53.62 1huz n ASP 332 Cb 0.03 -0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1huz n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1huz n ARG 333 N 0.53 2.14 0.00 -1.24 1.74 -0.39 -4.96 116.66 114.48 1huz n ARG 333 Ca 0.08 -2.11 0.07 0.00 -0.77 0.00 0.00 57.85 55.12 1huz n ARG 333 Cb 0.33 -1.89 0.06 0.00 -1.02 0.00 0.00 32.46 29.94 1huz n ARG 333 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54