#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqv n GLY 9 N 0.00 -0.33 0.00 -1.23 0.00 -1.26 -4.94 105.19 97.43 1hqv n GLY 9 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1hqv n GLY 9 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hqv n PRO 10 N -2.53 2.99 -3.36 1.61 -0.02 -1.26 -3.95 135.00 128.47 1hqv n PRO 10 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 1hqv n PRO 10 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 1hqv n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqv n GLY 11 N 0.00 3.15 0.00 -1.23 0.00 -1.26 -3.12 105.19 102.73 1hqv n GLY 11 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1hqv n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqv n GLY 12 N 1.74 0.00 3.35 -0.02 0.00 -0.91 -4.63 105.19 104.72 1hqv n GLY 12 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1hqv n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqv n GLY 13 N 0.00 -2.30 0.00 -0.02 0.00 -1.24 -4.94 105.19 96.68 1hqv n GLY 13 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1hqv n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hqv n PRO 14 N -3.08 0.40 0.00 1.61 -0.04 -1.26 -4.69 135.00 127.95 1hqv n PRO 14 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1hqv n PRO 14 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1hqv n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqv n GLY 15 N 0.44 3.82 3.15 0.55 0.00 -1.26 -4.84 105.19 107.05 1hqv n GLY 15 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1hqv n GLY 15 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hqv n PRO 16 N 0.00 0.61 0.00 1.61 -0.02 -1.26 -5.15 135.00 130.78 1hqv n PRO 16 Ca 0.00 -1.10 0.00 0.00 -2.02 0.00 0.00 63.50 60.38 1hqv n PRO 16 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 1hqv n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hqv n ALA 17 N 6.90 0.00 0.00 3.55 0.00 -1.26 -4.39 120.51 125.31 1hqv n ALA 17 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1hqv n ALA 17 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1hqv n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqv n ALA 21 N 1.30 0.00 -0.02 0.00 0.00 -1.26 -5.03 120.51 115.50 1hqv n ALA 21 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqv n ALA 21 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1hqv n ALA 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hqv n LEU 22 N 0.00 0.00 -4.82 0.00 -0.00 -1.26 -5.04 117.00 105.88 1hqv n LEU 22 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 1hqv n LEU 22 Cb 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 43.42 43.44 1hqv n LEU 22 CO 0.00 0.08 0.56 -2.16 -0.00 0.00 0.00 177.39 175.88 1hqv s PRO 23 N -2.25 4.26 0.85 1.96 0.04 -1.26 -5.06 135.00 133.53 1hqv s PRO 23 Ca -0.03 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1hqv s PRO 23 Cb 0.03 -2.47 0.10 0.00 0.04 0.00 0.00 34.50 32.20 1hqv s PRO 23 CO 0.24 0.14 1.12 0.16 0.04 0.00 0.00 177.00 178.70 1hqv s ASP 24 N -2.01 4.06 0.22 6.66 1.47 -1.26 -4.87 116.67 120.94 1hqv s ASP 24 Ca 0.55 1.10 -0.08 0.00 1.18 0.00 0.00 52.55 55.31 1hqv s ASP 24 Cb -0.12 -1.75 0.29 0.00 -0.34 0.00 0.00 42.92 41.00 1hqv s ASP 24 CO 0.17 -2.22 1.81 -0.61 0.68 0.00 0.00 175.17 175.01 1hqv h GLN 25 N -1.26 0.71 -0.05 2.11 4.15 -1.98 -2.54 115.11 116.24 1hqv h GLN 25 Ca -0.49 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 58.93 1hqv h GLN 25 Cb 1.30 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1hqv h GLN 25 CO 0.61 0.47 -0.22 1.03 -1.93 0.00 0.00 178.83 178.78 1hqv h SER 26 N 0.73 -0.68 -0.13 -0.69 0.87 -1.98 0.68 113.55 112.35 1hqv h SER 26 Ca 0.33 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 61.02 1hqv h SER 26 Cb 0.24 0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1hqv h SER 26 CO -0.20 -0.28 -0.55 0.15 -0.53 0.00 0.00 176.83 175.42 1hqv h PHE 27 N -0.33 -1.63 0.00 2.24 3.57 -1.83 0.21 116.94 119.18 1hqv h PHE 27 Ca 0.08 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1hqv h PHE 27 Cb 0.43 0.73 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1hqv h PHE 27 CO -0.29 -0.55 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.14 1hqv h LEU 28 N -0.59 0.00 0.03 0.59 3.38 -1.19 -0.55 115.31 116.98 1hqv h LEU 28 Ca 0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1hqv h LEU 28 Cb 0.68 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.45 1hqv h LEU 28 CO -0.44 0.03 -0.85 -0.25 0.09 0.00 0.00 178.44 177.02 1hqv h TRP 29 N 0.00 0.81 -0.76 1.13 -0.00 0.20 -0.18 115.95 117.14 1hqv h TRP 29 Ca -0.00 -0.46 -0.06 0.00 -0.00 0.00 0.00 58.89 58.38 1hqv h TRP 29 Cb 0.29 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 29.34 1hqv h TRP 29 CO 0.00 1.29 0.26 -0.91 -0.00 0.00 0.00 178.44 179.08 1hqv h ASN 30 N 0.10 1.09 0.11 2.65 -0.26 -0.06 0.01 115.58 119.22 1hqv h ASN 30 Ca -0.11 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.43 1hqv h ASN 30 Cb 1.55 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 1hqv h ASN 30 CO 0.17 1.00 -0.05 0.58 -1.06 0.00 0.00 177.43 178.06 1hqv h VAL 31 N 1.13 0.97 -0.56 2.81 2.07 -1.08 -2.61 116.25 118.98 1hqv h VAL 31 Ca 0.25 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.61 1hqv h VAL 31 Cb 0.28 1.14 -0.11 0.00 -1.52 0.00 0.00 31.29 31.08 1hqv h VAL 31 CO -0.01 0.07 -0.18 0.15 0.02 0.00 0.00 177.57 177.61 1hqv h PHE 32 N -0.27 -0.42 -0.60 1.57 3.57 -0.55 0.51 116.94 120.74 1hqv h PHE 32 Ca -0.01 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.65 1hqv h PHE 32 Cb 0.22 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1hqv h PHE 32 CO -0.03 -0.28 0.41 1.96 -2.23 0.00 0.00 178.31 178.14 1hqv h GLN 33 N -0.05 0.35 0.03 1.11 4.20 -0.81 -0.45 115.11 119.50 1hqv h GLN 33 Ca 0.26 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.73 1hqv h GLN 33 Cb 0.45 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.17 1hqv h GLN 33 CO -0.60 0.23 -0.90 0.00 -0.67 0.00 0.00 178.83 176.90 1hqv h ARG 34 N 0.36 0.55 -0.40 1.46 3.08 -0.55 -3.24 114.38 115.63 1hqv h ARG 34 Ca 0.28 -0.63 -0.09 0.00 0.07 0.00 0.00 59.98 59.61 1hqv h ARG 34 Cb 0.63 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1hqv h ARG 34 CO -0.07 1.25 -0.13 0.28 -1.07 0.00 0.00 179.97 180.23 1hqv h VAL 35 N 0.12 1.26 -0.30 2.04 2.07 -0.93 -3.29 116.25 117.21 1hqv h VAL 35 Ca -0.12 -1.17 -0.70 0.00 0.82 0.00 0.00 66.70 65.52 1hqv h VAL 35 Cb 1.59 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 1hqv h VAL 35 CO 0.17 0.40 2.84 -0.67 0.02 0.00 0.00 177.57 180.33 1hqv n ASP 36 N -4.16 4.20 -0.20 0.57 2.03 -0.22 -4.73 116.55 114.05 1hqv n ASP 36 Ca 0.01 -2.87 -0.07 0.00 0.52 0.00 0.00 54.79 52.38 1hqv n ASP 36 Cb 0.37 -1.67 0.03 0.00 -0.72 0.00 0.00 41.12 39.13 1hqv n ASP 36 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1hqv h LYS 37 N 6.39 0.80 0.00 -0.67 1.57 -1.75 -1.90 116.57 121.02 1hqv h LYS 37 Ca 0.53 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1hqv h LYS 37 Cb 0.70 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1hqv h LYS 37 CO 1.76 0.59 0.00 -0.40 -0.57 0.00 0.00 179.45 180.83 1hqv n ASP 38 N -4.62 0.00 -2.19 0.86 3.85 -1.26 -4.86 116.55 108.34 1hqv n ASP 38 Ca 0.04 -0.53 -0.16 0.00 -0.71 0.00 0.00 54.79 53.43 1hqv n ASP 38 Cb 0.06 -0.10 -0.02 0.00 -1.35 0.00 0.00 41.12 39.71 1hqv n ASP 38 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1hqv n ARG 39 N -1.10 -1.83 0.13 0.11 1.74 -0.71 -4.82 116.66 110.17 1hqv n ARG 39 Ca 0.16 0.82 0.12 0.00 -0.77 0.00 0.00 57.85 58.18 1hqv n ARG 39 Cb 0.12 -5.37 0.49 0.00 -1.02 0.00 0.00 32.46 26.68 1hqv n ARG 39 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1hqv n SER 40 N -1.63 0.63 0.00 0.55 3.41 -1.26 -4.83 113.62 110.48 1hqv n SER 40 Ca -0.18 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1hqv n SER 40 Cb 0.62 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1hqv n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hqv n GLY 41 N -0.08 0.72 2.92 5.00 0.00 -1.26 -5.03 105.19 107.46 1hqv n GLY 41 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1hqv n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqv s VAL 42 N -2.36 0.51 -0.16 1.61 1.01 -1.26 -4.55 120.40 115.20 1hqv s VAL 42 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1hqv s VAL 42 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1hqv s VAL 42 CO 0.00 0.19 0.65 -0.63 0.00 0.00 0.00 175.10 175.31 1hqv s ILE 43 N 0.52 5.03 0.40 2.22 1.01 -0.08 -4.88 121.20 125.41 1hqv s ILE 43 Ca -0.07 1.26 0.07 0.00 0.00 0.00 0.00 60.65 61.91 1hqv s ILE 43 Cb -0.10 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1hqv s ILE 43 CO 0.00 0.15 0.55 -0.94 0.00 0.00 0.00 174.94 174.70 1hqv s SER 44 N 1.07 5.76 0.30 3.58 1.04 -1.26 -1.25 113.70 122.94 1hqv s SER 44 Ca 0.31 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.54 1hqv s SER 44 Cb -0.16 -0.94 0.80 0.00 0.10 0.00 0.00 66.02 65.82 1hqv s SER 44 CO 0.12 -0.66 1.71 0.44 0.98 0.00 0.00 173.24 175.83 1hqv h ASP 45 N 0.69 0.48 -0.36 7.02 3.32 -1.93 -0.65 116.42 124.98 1hqv h ASP 45 Ca -0.43 0.15 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 1hqv h ASP 45 Cb 1.27 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 1hqv h ASP 45 CO 0.49 0.04 -0.39 -1.13 -1.72 0.00 0.00 179.24 176.54 1hqv h ASN 46 N 0.48 0.98 0.16 6.45 -0.73 -1.95 -2.55 115.58 118.42 1hqv h ASN 46 Ca 0.60 -0.45 -0.20 0.00 1.87 0.00 0.00 56.30 58.12 1hqv h ASN 46 Cb 1.14 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 39.45 1hqv h ASN 46 CO -0.51 1.24 -0.76 -0.33 -0.37 0.00 0.00 177.43 176.71 1hqv h GLU 47 N 0.75 0.50 -0.05 6.67 5.08 -1.49 -3.15 114.58 122.89 1hqv h GLU 47 Ca 0.06 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1hqv h GLU 47 Cb 0.98 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1hqv h GLU 47 CO 0.09 1.05 0.02 1.25 -1.00 0.00 0.00 179.01 180.42 1hqv h LEU 48 N 0.34 0.06 -0.79 1.33 5.85 -1.20 -3.00 115.31 117.91 1hqv h LEU 48 Ca -0.04 -0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.72 1hqv h LEU 48 Cb 1.35 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.23 1hqv h LEU 48 CO 0.14 0.19 0.04 -0.61 -0.34 0.00 0.00 178.44 177.85 1hqv h GLN 49 N -0.07 0.11 0.00 1.25 4.15 -1.47 0.46 115.11 119.55 1hqv h GLN 49 Ca 0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1hqv h GLN 49 Cb 0.14 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1hqv h GLN 49 CO -0.00 0.07 -0.02 1.96 -1.93 0.00 0.00 178.83 178.92 1hqv h GLN 50 N 0.12 0.00 0.04 1.69 4.20 -1.49 -2.65 115.11 117.01 1hqv h GLN 50 Ca 0.44 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.85 1hqv h GLN 50 Cb 0.80 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 1hqv h GLN 50 CO -0.68 0.02 -1.67 0.00 -0.67 0.00 0.00 178.83 175.82 1hqv h ALA 51 N 1.98 0.61 -2.38 3.87 0.00 -0.05 -3.47 119.26 119.83 1hqv h ALA 51 Ca -0.00 -1.36 -0.51 0.00 0.00 0.00 0.00 54.91 53.04 1hqv h ALA 51 Cb 0.30 0.45 0.07 0.00 0.00 0.00 0.00 17.79 18.61 1hqv h ALA 51 CO 0.00 1.45 0.40 -0.51 0.00 0.00 0.00 179.25 180.60 1hqv s LEU 52 N -6.43 3.13 -0.05 0.00 1.43 -0.41 -5.08 118.68 111.27 1hqv s LEU 52 Ca -0.08 1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1hqv s LEU 52 Cb 0.08 -4.36 0.04 0.00 0.03 0.00 0.00 46.19 41.97 1hqv s LEU 52 CO 0.82 -1.12 0.09 -0.55 0.23 0.00 0.00 176.35 175.82 1hqv s SER 53 N -4.11 0.61 0.00 2.29 0.15 -1.26 -4.76 113.70 106.62 1hqv s SER 53 Ca 0.56 0.17 0.25 0.00 0.70 0.00 0.00 55.95 57.63 1hqv s SER 53 Cb -0.12 0.03 0.70 0.00 -1.71 0.00 0.00 66.02 64.92 1hqv s SER 53 CO 0.54 -0.21 1.54 -0.46 1.20 0.00 0.00 173.24 175.85 1hqv n ASN 54 N 4.89 2.14 0.00 5.45 0.23 -1.26 -4.84 115.26 121.87 1hqv n ASN 54 Ca -0.13 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 1hqv n ASN 54 Cb 0.50 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1hqv n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hqv n GLY 55 N 1.25 0.36 0.97 4.83 0.00 -1.26 -3.98 105.19 107.35 1hqv n GLY 55 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1hqv n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hqv n THR 56 N -2.08 1.00 -1.50 2.61 -2.24 -1.26 -4.96 114.28 105.85 1hqv n THR 56 Ca 0.00 -1.00 -0.12 0.00 -2.27 0.00 0.00 64.05 60.66 1hqv n THR 56 Cb 0.06 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 1hqv n THR 56 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1hqv n TRP 57 N 1.04 -0.10 -4.34 4.78 7.02 -1.26 -5.01 117.44 119.56 1hqv n TRP 57 Ca 0.18 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.44 1hqv n TRP 57 Cb 0.52 -2.26 -0.11 0.00 -2.42 0.00 0.00 31.31 27.04 1hqv n TRP 57 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1hqv s THR 58 N -2.46 1.87 0.27 -0.99 -4.23 -1.26 -5.10 115.64 103.74 1hqv s THR 58 Ca 0.00 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.24 1hqv s THR 58 Cb 0.00 -1.89 -0.13 0.00 1.34 0.00 0.00 72.50 71.82 1hqv s THR 58 CO 0.00 -0.33 1.44 -2.65 -0.54 0.00 0.00 174.62 172.54 1hqv n PRO 59 N 0.20 2.21 -1.67 3.99 -0.02 -1.26 -4.65 135.00 133.79 1hqv n PRO 59 Ca -0.12 0.78 -0.47 0.00 -2.02 0.00 0.00 63.50 61.67 1hqv n PRO 59 Cb 0.57 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 1hqv n PRO 59 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1hqv n PHE 60 N 1.76 2.30 -0.95 6.00 7.35 -1.26 -4.67 117.46 127.99 1hqv n PHE 60 Ca 0.10 0.12 -0.26 0.00 -0.76 0.00 0.00 57.45 56.64 1hqv n PHE 60 Cb 0.33 -2.61 -0.09 0.00 0.35 0.00 0.00 39.48 37.46 1hqv n PHE 60 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1hqv n ASN 61 N 5.17 0.20 -0.24 -2.13 2.85 -1.26 -4.74 115.26 115.09 1hqv n ASN 61 Ca 0.20 0.13 0.26 0.00 -0.11 0.00 0.00 54.58 55.05 1hqv n ASN 61 Cb 0.29 -0.58 0.62 0.00 1.24 0.00 0.00 39.78 41.35 1hqv n ASN 61 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1hqv h PRO 62 N 7.54 0.19 -0.63 1.20 0.13 -1.99 0.63 132.00 139.07 1hqv h PRO 62 Ca -0.03 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 1hqv h PRO 62 Cb 0.83 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1hqv h PRO 62 CO 0.87 0.13 0.10 0.28 -0.23 0.00 0.00 178.00 179.15 1hqv h VAL 63 N 0.20 1.26 -0.44 1.56 2.07 -2.00 -1.28 116.25 117.61 1hqv h VAL 63 Ca 0.49 -1.01 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 1hqv h VAL 63 Cb 1.59 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1hqv h VAL 63 CO -0.11 0.37 -0.28 0.74 0.02 0.00 0.00 177.57 178.31 1hqv h THR 64 N 0.95 1.27 -0.79 2.57 2.02 -1.24 -1.85 112.91 115.84 1hqv h THR 64 Ca 0.19 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1hqv h THR 64 Cb 0.43 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1hqv h THR 64 CO 0.01 0.49 0.52 0.58 0.37 0.00 0.00 175.52 177.50 1hqv h VAL 65 N 0.81 1.20 0.10 3.16 2.07 -1.18 0.22 116.25 122.63 1hqv h VAL 65 Ca 0.09 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1hqv h VAL 65 Cb 0.87 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1hqv h VAL 65 CO 0.08 0.20 -0.05 -0.09 0.02 0.00 0.00 177.57 177.73 1hqv h ARG 66 N 1.07 -0.12 -0.74 1.57 9.65 -0.94 0.32 114.38 125.18 1hqv h ARG 66 Ca 0.29 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.25 1hqv h ARG 66 Cb -0.12 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.42 1hqv h ARG 66 CO -0.06 -0.07 0.42 0.77 2.80 0.00 0.00 179.97 183.82 1hqv h SER 67 N -0.14 0.62 -0.35 -3.80 0.02 -0.89 -0.76 113.55 108.25 1hqv h SER 67 Ca -0.01 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1hqv h SER 67 Cb 0.11 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1hqv h SER 67 CO 0.02 0.39 -0.07 0.40 -1.14 0.00 0.00 176.83 176.43 1hqv h ILE 68 N 0.75 1.25 0.27 3.27 2.04 -0.62 -2.32 117.51 122.15 1hqv h ILE 68 Ca 0.34 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1hqv h ILE 68 Cb 0.24 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1hqv h ILE 68 CO -0.20 0.38 -0.13 0.40 0.00 0.00 0.00 178.15 178.60 1hqv h ILE 69 N 0.70 0.77 0.00 -0.67 1.08 0.15 -2.98 117.51 116.56 1hqv h ILE 69 Ca 0.13 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1hqv h ILE 69 Cb 0.53 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1hqv h ILE 69 CO 0.03 0.10 0.00 -1.54 -0.69 0.00 0.00 178.15 176.05 1hqv n SER 70 N -5.14 0.01 0.09 1.72 3.41 -0.40 -0.75 113.62 112.56 1hqv n SER 70 Ca -0.10 0.50 -0.15 0.00 -0.26 0.00 0.00 58.87 58.87 1hqv n SER 70 Cb 0.24 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.55 1hqv n SER 70 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1hqv h MET 71 N 0.00 0.22 -0.01 4.33 2.86 -1.27 -3.35 114.93 117.71 1hqv h MET 71 Ca 0.00 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1hqv h MET 71 Cb 0.24 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1hqv h MET 71 CO 0.00 1.16 -0.38 1.19 1.06 0.00 0.00 176.91 179.93 1hqv n PHE 72 N -3.48 0.00 -3.03 -0.22 3.01 -0.94 -4.87 117.46 107.92 1hqv n PHE 72 Ca -0.09 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.95 1hqv n PHE 72 Cb 1.02 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.43 1hqv n PHE 72 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1hqv s ASP 73 N -1.93 6.47 -0.05 4.37 2.15 0.07 -4.80 116.67 122.96 1hqv s ASP 73 Ca 0.12 0.19 -0.02 0.00 0.43 0.00 0.00 52.55 53.26 1hqv s ASP 73 Cb 0.12 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 40.38 1hqv s ASP 73 CO 0.42 -0.69 -0.03 0.03 -0.17 0.00 0.00 175.17 174.73 1hqv h ARG 74 N 8.54 0.00 -5.29 4.34 3.08 -1.88 -3.41 114.38 119.76 1hqv h ARG 74 Ca -0.25 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.31 1hqv h ARG 74 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1hqv h ARG 74 CO 0.88 0.00 1.64 -0.85 -1.07 0.00 0.00 179.97 180.57 1hqv n GLU 75 N -3.28 1.97 0.00 0.04 0.00 -1.26 -4.80 120.64 113.31 1hqv n GLU 75 Ca -0.01 -2.53 0.00 0.00 0.00 0.00 0.00 57.16 54.62 1hqv n GLU 75 Cb 0.05 -3.51 0.00 0.00 0.00 0.00 0.00 31.44 27.98 1hqv n GLU 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1hqv n ASN 76 N 11.49 0.00 -0.29 -1.84 4.05 -1.26 -4.64 115.26 122.77 1hqv n ASN 76 Ca 0.47 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.56 1hqv n ASN 76 Cb 0.45 0.00 0.10 0.00 1.23 0.00 0.00 39.78 41.56 1hqv n ASN 76 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1hqv n LYS 77 N 0.00 0.86 -4.08 1.20 2.85 -1.26 -5.00 118.16 112.73 1hqv n LYS 77 Ca 0.00 -2.13 -0.29 0.00 -1.05 0.00 0.00 58.31 54.84 1hqv n LYS 77 Cb 0.00 -1.15 -0.04 0.00 -0.65 0.00 0.00 35.03 33.19 1hqv n LYS 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1hqv n ALA 78 N -0.90 -2.09 0.00 0.58 0.00 -1.26 -4.84 120.51 112.00 1hqv n ALA 78 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1hqv n ALA 78 Cb 0.68 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1hqv n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqv n GLY 79 N -2.20 -1.91 3.09 0.00 0.00 -1.26 -4.31 105.19 98.60 1hqv n GLY 79 Ca -0.29 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 1hqv n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hqv s VAL 80 N -2.29 0.59 0.48 1.61 -7.23 -0.38 -4.41 120.40 108.77 1hqv s VAL 80 Ca 0.00 -1.34 0.05 0.00 -1.81 0.00 0.00 61.98 58.88 1hqv s VAL 80 Cb 0.00 -0.94 0.09 0.00 0.56 0.00 0.00 36.38 36.09 1hqv s VAL 80 CO 0.00 -0.53 0.66 -0.46 -0.31 0.00 0.00 175.10 174.46 1hqv n ASN 81 N 1.00 1.39 0.17 4.85 0.23 -1.26 -0.91 115.26 120.74 1hqv n ASN 81 Ca -0.20 -2.06 -0.17 0.00 -0.53 0.00 0.00 54.58 51.63 1hqv n ASN 81 Cb 0.56 -0.38 -0.10 0.00 -2.08 0.00 0.00 39.78 37.78 1hqv n ASN 81 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1hqv h PHE 82 N -0.15 -1.46 -0.56 -2.53 3.57 -1.99 0.13 116.94 113.93 1hqv h PHE 82 Ca -0.22 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.42 1hqv h PHE 82 Cb 0.94 0.61 -0.11 0.00 2.79 0.00 0.00 35.95 40.17 1hqv h PHE 82 CO 0.00 -0.61 -0.24 1.03 -2.23 0.00 0.00 178.31 176.25 1hqv h SER 83 N -0.83 -0.85 0.30 0.41 0.87 -1.99 0.14 113.55 111.59 1hqv h SER 83 Ca -0.03 0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1hqv h SER 83 Cb 0.79 0.46 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1hqv h SER 83 CO -0.20 -0.26 -0.32 -0.33 -0.53 0.00 0.00 176.83 175.19 1hqv h GLU 84 N -0.10 0.04 -0.75 2.24 5.08 -1.82 -2.85 114.58 116.42 1hqv h GLU 84 Ca 0.25 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1hqv h GLU 84 Cb 0.50 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1hqv h GLU 84 CO -0.63 0.36 0.36 0.35 -1.00 0.00 0.00 179.01 178.45 1hqv h PHE 85 N 0.04 1.09 -0.10 4.33 3.57 0.20 0.86 116.94 126.92 1hqv h PHE 85 Ca 0.00 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1hqv h PHE 85 Cb 0.59 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1hqv h PHE 85 CO 0.00 0.80 0.11 1.79 -2.23 0.00 0.00 178.31 178.78 1hqv h THR 86 N 1.06 0.51 -0.10 4.41 1.35 -1.09 0.90 112.91 119.95 1hqv h THR 86 Ca 0.26 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.95 1hqv h THR 86 Cb 0.12 0.91 0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1hqv h THR 86 CO -0.03 0.00 -0.58 1.23 -0.25 0.00 0.00 175.52 175.89 1hqv h GLY 87 N 0.00 0.64 0.94 5.82 0.00 -0.93 -1.87 103.07 107.67 1hqv h GLY 87 Ca 0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1hqv h GLY 87 CO -0.00 0.81 0.15 -2.08 0.00 0.00 0.00 176.54 175.43 1hqv h VAL 88 N 0.20 1.16 -0.22 4.60 2.07 0.11 -0.20 116.25 123.96 1hqv h VAL 88 Ca -0.04 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.08 1hqv h VAL 88 Cb 1.23 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 1hqv h VAL 88 CO 0.12 0.16 -0.27 -0.25 0.02 0.00 0.00 177.57 177.36 1hqv h TRP 89 N 0.38 -0.72 -0.67 1.57 7.01 0.62 0.49 115.95 124.62 1hqv h TRP 89 Ca 0.11 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1hqv h TRP 89 Cb 0.12 0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 1hqv h TRP 89 CO -0.02 -0.34 0.43 -0.22 -2.79 0.00 0.00 178.44 175.50 1hqv h LYS 90 N -0.29 0.84 -0.77 2.65 1.63 -1.17 -0.58 116.57 118.88 1hqv h LYS 90 Ca 0.13 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1hqv h LYS 90 Cb 0.49 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 1hqv h LYS 90 CO -0.38 0.55 0.45 -0.92 -3.45 0.00 0.00 179.45 175.70 1hqv h TYR 91 N 0.86 1.03 -0.29 1.91 3.20 -0.06 0.91 116.97 124.52 1hqv h TYR 91 Ca 0.26 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.95 1hqv h TYR 91 Cb -0.04 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 37.90 1hqv h TYR 91 CO -0.04 0.70 -0.50 0.82 -1.64 0.00 0.00 178.16 177.50 1hqv h ILE 92 N 1.05 1.28 -0.18 1.81 1.08 -0.63 -2.65 117.51 119.27 1hqv h ILE 92 Ca 0.27 -1.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 1hqv h ILE 92 Cb -0.01 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1hqv h ILE 92 CO -0.05 0.55 0.07 0.74 -0.69 0.00 0.00 178.15 178.77 1hqv h THR 93 N 0.65 1.16 -0.64 -0.27 2.02 -0.77 -1.62 112.91 113.44 1hqv h THR 93 Ca 0.03 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1hqv h THR 93 Cb 1.09 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1hqv h THR 93 CO 0.11 0.16 0.40 0.44 0.37 0.00 0.00 175.52 177.00 1hqv h ASP 94 N 0.13 0.75 -0.08 4.18 3.32 -0.82 -2.36 116.42 121.55 1hqv h ASP 94 Ca 0.06 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1hqv h ASP 94 Cb 0.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1hqv h ASP 94 CO -0.00 0.57 -0.30 -0.50 -1.72 0.00 0.00 179.24 177.28 1hqv h TRP 95 N 0.88 0.62 -0.65 4.55 4.06 -1.14 -2.03 115.95 122.24 1hqv h TRP 95 Ca 0.23 -0.15 -0.05 0.00 2.06 0.00 0.00 58.89 60.98 1hqv h TRP 95 Cb -0.05 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 27.93 1hqv h TRP 95 CO 0.00 0.79 0.21 1.96 -3.56 0.00 0.00 178.44 177.84 1hqv h GLN 96 N 0.47 1.01 -0.35 0.49 4.20 -0.80 0.23 115.11 120.36 1hqv h GLN 96 Ca 0.06 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1hqv h GLN 96 Cb 0.76 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1hqv h GLN 96 CO 0.06 0.88 0.13 -0.91 -0.67 0.00 0.00 178.83 178.32 1hqv h ASN 97 N 0.94 0.49 -0.32 1.46 2.35 -1.27 0.16 115.58 119.40 1hqv h ASN 97 Ca 0.21 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1hqv h ASN 97 Cb 0.29 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1hqv h ASN 97 CO -0.01 0.53 0.14 0.58 -1.65 0.00 0.00 177.43 177.02 1hqv h VAL 98 N 0.41 0.95 -0.12 2.81 2.07 -1.06 -0.66 116.25 120.66 1hqv h VAL 98 Ca 0.11 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1hqv h VAL 98 Cb 0.20 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1hqv h VAL 98 CO -0.01 0.05 -0.10 0.15 0.02 0.00 0.00 177.57 177.69 1hqv h PHE 99 N 0.29 -0.23 -0.09 1.57 3.57 -0.51 -2.09 116.94 119.45 1hqv h PHE 99 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1hqv h PHE 99 Cb 0.08 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1hqv h PHE 99 CO -0.12 -0.15 -0.20 0.00 -2.23 0.00 0.00 178.31 175.61 1hqv h ARG 100 N -0.11 0.15 -0.29 1.11 3.08 -0.74 0.17 114.38 117.75 1hqv h ARG 100 Ca 0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1hqv h ARG 100 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1hqv h ARG 100 CO -0.19 0.36 0.13 1.15 -1.07 0.00 0.00 179.97 180.35 1hqv h THR 101 N 0.14 1.16 0.00 2.04 2.02 -0.47 -3.14 112.91 114.67 1hqv h THR 101 Ca 0.03 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1hqv h THR 101 Cb 0.45 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1hqv h THR 101 CO 0.03 0.17 -0.53 -1.22 0.37 0.00 0.00 175.52 174.34 1hqv n TYR 102 N -4.77 0.43 -2.03 3.16 4.02 -0.87 -4.34 117.16 112.77 1hqv n TYR 102 Ca -0.02 0.12 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 1hqv n TYR 102 Cb 0.12 -0.58 -0.00 0.00 -0.02 0.00 0.00 39.34 38.85 1hqv n TYR 102 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1hqv n ASP 103 N -1.96 4.19 0.14 7.72 2.03 0.55 -4.75 116.55 124.46 1hqv n ASP 103 Ca 0.04 -2.86 0.02 0.00 0.52 0.00 0.00 54.79 52.52 1hqv n ASP 103 Cb 0.41 -1.67 0.39 0.00 -0.72 0.00 0.00 41.12 39.53 1hqv n ASP 103 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1hqv h ARG 104 N 6.78 0.18 -0.41 -0.67 3.08 -1.80 -2.58 114.38 118.96 1hqv h ARG 104 Ca 0.51 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1hqv h ARG 104 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1hqv h ARG 104 CO 1.71 0.37 0.00 -0.40 -1.07 0.00 0.00 179.97 180.58 1hqv n ASP 105 N -4.24 2.19 -3.86 7.04 3.85 -1.26 -4.92 116.55 115.35 1hqv n ASP 105 Ca -0.01 -2.00 -0.29 0.00 -0.71 0.00 0.00 54.79 51.77 1hqv n ASP 105 Cb 0.30 -0.27 0.03 0.00 -1.35 0.00 0.00 41.12 39.82 1hqv n ASP 105 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1hqv n ASN 106 N 0.70 -5.05 0.07 -1.12 3.02 -0.97 -4.90 115.26 107.01 1hqv n ASN 106 Ca 0.14 -0.74 0.12 0.00 -0.03 0.00 0.00 54.58 54.07 1hqv n ASN 106 Cb 0.35 -4.02 0.07 0.00 -0.61 0.00 0.00 39.78 35.57 1hqv n ASN 106 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1hqv n SER 107 N -2.84 0.73 0.00 6.41 3.41 -1.26 -4.95 113.62 115.12 1hqv n SER 107 Ca 0.04 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1hqv n SER 107 Cb 0.53 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1hqv n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hqv n GLY 108 N 1.28 0.79 3.05 5.00 0.00 -1.26 -5.03 105.19 109.02 1hqv n GLY 108 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1hqv n GLY 108 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hqv s MET 109 N -0.59 0.53 -0.34 1.61 -1.94 -1.26 -4.55 119.30 112.76 1hqv s MET 109 Ca 0.00 -0.64 -0.15 0.00 -1.71 0.00 0.00 55.69 53.19 1hqv s MET 109 Cb 0.00 -0.35 -0.02 0.00 2.01 0.00 0.00 34.83 36.48 1hqv s MET 109 CO 0.00 0.07 0.33 0.42 -0.01 0.00 0.00 175.02 175.83 1hqv s ILE 110 N -1.10 5.20 0.44 2.53 -1.09 0.45 -4.81 121.20 122.81 1hqv s ILE 110 Ca -0.07 0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1hqv s ILE 110 Cb -0.08 -3.78 0.09 0.00 -1.58 0.00 0.00 42.46 37.10 1hqv s ILE 110 CO 0.00 -0.05 0.60 -0.90 -1.23 0.00 0.00 174.94 173.36 1hqv n ASP 111 N 5.32 0.51 -0.10 3.58 5.68 -1.26 -0.92 116.55 129.35 1hqv n ASP 111 Ca -0.10 -1.50 -0.09 0.00 -0.50 0.00 0.00 54.79 52.60 1hqv n ASP 111 Cb 0.50 -0.41 -0.01 0.00 -1.14 0.00 0.00 41.12 40.05 1hqv n ASP 111 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1hqv h LYS 112 N 0.00 0.46 -0.80 0.11 3.64 -1.95 0.21 116.57 118.24 1hqv h LYS 112 Ca -0.20 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1hqv h LYS 112 Cb 0.65 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1hqv h LYS 112 CO 0.18 0.36 0.35 -0.91 -2.27 0.00 0.00 179.45 177.16 1hqv h ASN 113 N 0.43 1.08 -0.35 4.20 2.35 -1.97 -0.18 115.58 121.14 1hqv h ASN 113 Ca 0.12 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1hqv h ASN 113 Cb 0.03 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1hqv h ASN 113 CO -0.02 0.94 -0.31 -0.33 -1.65 0.00 0.00 177.43 176.06 1hqv h GLU 114 N 1.15 0.88 -0.50 0.81 5.08 -1.80 -2.56 114.58 117.63 1hqv h GLU 114 Ca 0.27 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1hqv h GLU 114 Cb 0.18 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1hqv h GLU 114 CO -0.03 1.06 0.13 1.25 -1.00 0.00 0.00 179.01 180.43 1hqv h LEU 115 N 0.74 0.70 -0.91 1.33 5.85 -0.12 0.14 115.31 123.04 1hqv h LEU 115 Ca 0.08 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1hqv h LEU 115 Cb 0.88 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1hqv h LEU 115 CO 0.08 0.68 -0.08 0.11 -0.34 0.00 0.00 178.44 178.89 1hqv h LYS 116 N 0.74 0.71 -0.31 1.25 1.57 -0.87 -1.36 116.57 118.30 1hqv h LYS 116 Ca 0.17 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1hqv h LYS 116 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1hqv h LYS 116 CO -0.00 0.78 -0.19 1.96 -0.57 0.00 0.00 179.45 181.43 1hqv h GLN 117 N 0.65 0.67 0.56 3.15 1.08 -0.90 0.69 115.11 121.02 1hqv h GLN 117 Ca 0.12 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1hqv h GLN 117 Cb 0.53 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1hqv h GLN 117 CO 0.03 0.91 -0.31 0.00 -0.95 0.00 0.00 178.83 178.51 1hqv h ALA 118 N 0.75 -0.81 -0.80 3.87 0.00 -0.47 0.46 119.26 122.25 1hqv h ALA 118 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1hqv h ALA 118 Cb 0.73 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1hqv h ALA 118 CO 0.05 -0.97 0.33 -0.07 0.00 0.00 0.00 179.25 178.60 1hqv h LEU 119 N -0.81 1.10 -0.67 0.00 3.38 -1.28 -0.95 115.31 116.09 1hqv h LEU 119 Ca -0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1hqv h LEU 119 Cb 0.64 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1hqv h LEU 119 CO 0.09 0.96 0.42 -1.28 0.09 0.00 0.00 178.44 178.73 1hqv h SER 120 N 1.17 0.79 0.44 -0.43 0.87 -0.76 -1.02 113.55 114.61 1hqv h SER 120 Ca 0.27 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1hqv h SER 120 Cb 0.20 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1hqv h SER 120 CO -0.02 0.61 -0.03 1.23 -0.53 0.00 0.00 176.83 178.08 1hqv h GLY 121 N 0.91 0.00 1.40 5.77 0.00 0.02 -1.32 103.07 109.85 1hqv h GLY 121 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1hqv h GLY 121 CO -0.05 0.00 -0.32 0.69 0.00 0.00 0.00 176.54 176.86 1hqv n PHE 122 N -3.25 0.12 0.00 5.60 0.99 -0.45 -4.93 117.46 115.54 1hqv n PHE 122 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1hqv n PHE 122 Cb 0.20 -0.42 0.00 0.00 -1.00 0.00 0.00 39.48 38.26 1hqv n PHE 122 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1hqv n GLY 123 N 1.47 0.76 3.78 1.37 0.00 -0.50 -3.69 105.19 108.38 1hqv n GLY 123 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1hqv n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hqv s TYR 124 N -2.00 3.18 -0.58 1.61 1.51 -0.60 -2.14 117.35 118.33 1hqv s TYR 124 Ca 0.00 1.62 0.05 0.00 -1.01 0.00 0.00 57.07 57.73 1hqv s TYR 124 Cb 0.00 -3.16 0.18 0.00 -0.11 0.00 0.00 41.96 38.86 1hqv s TYR 124 CO 0.00 -0.79 0.46 0.54 -1.11 0.00 0.00 175.55 174.64 1hqv n ARG 125 N -0.22 1.22 -4.20 -0.62 3.00 -1.18 -4.15 116.66 110.51 1hqv n ARG 125 Ca 0.06 -3.96 -0.30 0.00 -0.01 0.00 0.00 57.85 53.63 1hqv n ARG 125 Cb 0.50 -2.01 -0.09 0.00 0.00 0.00 0.00 32.46 30.86 1hqv n ARG 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1hqv s LEU 126 N -0.96 3.29 0.86 0.55 1.43 -1.26 -4.37 118.68 118.22 1hqv s LEU 126 Ca 0.29 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1hqv s LEU 126 Cb 0.01 -2.03 0.11 0.00 0.03 0.00 0.00 46.19 44.31 1hqv s LEU 126 CO -0.17 0.19 1.09 -0.94 0.23 0.00 0.00 176.35 176.75 1hqv s SER 127 N -2.18 3.79 0.08 2.29 1.04 -1.26 -4.97 113.70 112.50 1hqv s SER 127 Ca 0.23 1.59 -0.30 0.00 0.48 0.00 0.00 55.95 57.96 1hqv s SER 127 Cb -0.11 -2.28 -0.16 0.00 0.10 0.00 0.00 66.02 63.57 1hqv s SER 127 CO 0.16 -2.45 1.65 -0.78 0.98 0.00 0.00 173.24 172.79 1hqv h ASP 128 N -1.42 -0.62 -0.99 7.02 1.82 -2.02 -2.98 116.42 117.23 1hqv h ASP 128 Ca -0.48 0.03 0.33 0.00 -0.39 0.00 0.00 57.03 56.53 1hqv h ASP 128 Cb 1.27 0.18 -0.15 0.00 0.68 0.00 0.00 39.33 41.30 1hqv h ASP 128 CO 0.54 -0.40 0.54 1.56 -1.61 0.00 0.00 179.24 179.87 1hqv h GLN 129 N -0.64 0.27 -0.40 0.28 7.50 -2.03 0.81 115.11 120.92 1hqv h GLN 129 Ca -0.05 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.11 1hqv h GLN 129 Cb 0.52 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 1hqv h GLN 129 CO 0.06 0.18 0.26 0.35 -1.50 0.00 0.00 178.83 178.18 1hqv h PHE 130 N 0.28 0.44 0.00 2.96 3.57 -1.90 -2.03 116.94 120.26 1hqv h PHE 130 Ca 0.74 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.22 1hqv h PHE 130 Cb 1.70 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.29 1hqv h PHE 130 CO -0.03 0.27 -0.14 0.45 -2.23 0.00 0.00 178.31 176.62 1hqv h HIS 131 N 0.47 0.00 -0.21 0.41 3.86 -0.93 -0.33 115.15 118.43 1hqv h HIS 131 Ca 0.16 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.29 1hqv h HIS 131 Cb 0.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1hqv h HIS 131 CO -0.00 0.14 -0.17 -0.44 0.86 0.00 0.00 177.93 178.33 1hqv h ASP 132 N 0.00 0.50 -0.31 2.45 3.32 -1.46 -1.90 116.42 119.01 1hqv h ASP 132 Ca -0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1hqv h ASP 132 Cb 0.41 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1hqv h ASP 132 CO 0.02 0.85 0.20 0.40 -1.72 0.00 0.00 179.24 178.99 1hqv h ILE 133 N 0.16 1.10 -0.48 0.35 2.04 -1.37 -0.91 117.51 118.39 1hqv h ILE 133 Ca 0.04 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.72 1hqv h ILE 133 Cb 0.70 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1hqv h ILE 133 CO 0.04 0.10 0.25 0.25 0.00 0.00 0.00 178.15 178.79 1hqv h LEU 134 N 0.41 0.37 0.78 1.44 6.46 -1.03 -0.26 115.31 123.49 1hqv h LEU 134 Ca 0.11 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1hqv h LEU 134 Cb -0.02 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1hqv h LEU 134 CO -0.02 0.26 -0.37 0.40 -0.62 0.00 0.00 178.44 178.09 1hqv h ILE 135 N 0.50 0.05 -1.00 4.05 2.04 -1.09 -1.61 117.51 120.44 1hqv h ILE 135 Ca 0.21 -0.21 0.28 0.00 1.00 0.00 0.00 64.86 66.14 1hqv h ILE 135 Cb 0.09 0.06 -0.14 0.00 -0.74 0.00 0.00 36.82 36.10 1hqv h ILE 135 CO -0.13 0.01 0.56 -0.09 0.00 0.00 0.00 178.15 178.50 1hqv h ARG 136 N -1.25 0.42 -0.28 2.37 2.43 -1.10 1.03 114.38 118.01 1hqv h ARG 136 Ca -0.11 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1hqv h ARG 136 Cb 0.81 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1hqv h ARG 136 CO 0.18 0.28 -0.31 -0.22 -1.51 0.00 0.00 179.97 178.39 1hqv h LYS 137 N 0.43 0.70 -0.01 0.20 1.63 -0.90 -3.36 116.57 115.26 1hqv h LYS 137 Ca 0.69 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1hqv h LYS 137 Cb 1.45 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1hqv h LYS 137 CO -0.55 0.99 -0.29 1.19 -3.45 0.00 0.00 179.45 177.34 1hqv n PHE 138 N -4.26 0.00 -2.72 1.91 3.01 -0.44 -4.86 117.46 110.10 1hqv n PHE 138 Ca -0.04 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.00 1hqv n PHE 138 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 1hqv n PHE 138 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1hqv s ASP 139 N -1.62 6.53 0.12 4.37 2.15 0.34 -4.72 116.67 123.84 1hqv s ASP 139 Ca 0.09 -1.64 -0.17 0.00 0.43 0.00 0.00 52.55 51.27 1hqv s ASP 139 Cb 0.10 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 1hqv s ASP 139 CO 0.33 -1.34 1.64 0.03 -0.17 0.00 0.00 175.17 175.66 1hqv h ARG 140 N 9.41 0.53 -1.15 4.34 3.08 -1.89 -2.64 114.38 126.06 1hqv h ARG 140 Ca 0.15 -0.11 0.35 0.00 0.07 0.00 0.00 59.98 60.43 1hqv h ARG 140 Cb 1.02 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.88 1hqv h ARG 140 CO 1.28 0.55 0.73 0.37 -1.07 0.00 0.00 179.97 181.84 1hqv h GLN 141 N 0.41 0.24 -2.93 0.04 4.15 -1.88 -3.45 115.11 111.68 1hqv h GLN 141 Ca 0.11 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.40 1hqv h GLN 141 Cb 0.24 -0.05 0.05 0.00 0.21 0.00 0.00 27.48 27.92 1hqv h GLN 141 CO -0.00 0.16 -0.24 0.41 -1.93 0.00 0.00 178.83 177.22 1hqv n GLY 142 N -1.47 0.31 0.00 2.39 0.00 -1.00 -4.97 105.19 100.45 1hqv n GLY 142 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1hqv n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqv n ARG 143 N -2.02 0.18 -0.54 1.61 1.74 -1.26 -4.99 116.66 111.38 1hqv n ARG 143 Ca -0.05 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1hqv n ARG 143 Cb 0.54 -0.52 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 1hqv n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hqv n GLY 144 N 0.05 0.74 3.12 -0.13 0.00 -1.26 -5.03 105.19 102.68 1hqv n GLY 144 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1hqv n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqv s GLN 145 N -0.46 2.65 -0.17 1.61 -1.52 -1.26 -4.31 119.66 116.20 1hqv s GLN 145 Ca 0.00 -1.07 -0.22 0.00 -1.95 0.00 0.00 55.36 52.11 1hqv s GLN 145 Cb 0.00 -2.79 -0.02 0.00 -0.22 0.00 0.00 33.01 29.97 1hqv s GLN 145 CO 0.00 -0.40 0.70 0.42 -0.25 0.00 0.00 175.29 175.76 1hqv s ILE 146 N 1.22 4.99 0.66 1.08 1.01 -0.10 -4.79 121.20 125.26 1hqv s ILE 146 Ca -0.02 1.35 -0.10 0.00 0.00 0.00 0.00 60.65 61.89 1hqv s ILE 146 Cb -0.17 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 1hqv s ILE 146 CO -0.08 0.11 1.03 0.00 0.00 0.00 0.00 174.94 176.01 1hqv s ALA 147 N 1.78 3.03 0.20 9.38 0.00 -1.26 -0.41 121.76 134.48 1hqv s ALA 147 Ca 0.33 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 1hqv s ALA 147 Cb -0.16 -2.94 0.14 0.00 0.00 0.00 0.00 23.12 20.15 1hqv s ALA 147 CO 0.12 -0.94 1.58 0.35 0.00 0.00 0.00 175.76 176.86 1hqv h PHE 148 N -0.46 -1.01 -0.34 0.00 3.57 -1.80 -1.01 116.94 115.89 1hqv h PHE 148 Ca -0.45 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 1hqv h PHE 148 Cb 1.24 0.54 -0.02 0.00 2.79 0.00 0.00 35.95 40.50 1hqv h PHE 148 CO 0.54 -0.39 0.03 0.38 -2.23 0.00 0.00 178.31 176.63 1hqv h ASP 149 N -0.13 0.48 1.69 0.41 2.03 -1.88 -1.96 116.42 117.06 1hqv h ASP 149 Ca 0.25 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 1hqv h ASP 149 Cb 0.56 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1hqv h ASP 149 CO -0.76 0.53 0.00 0.44 -1.03 0.00 0.00 179.24 178.42 1hqv h ASP 150 N 0.50 0.00 -0.00 4.15 3.32 -1.60 -2.81 116.42 119.99 1hqv h ASP 150 Ca 0.11 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 1hqv h ASP 150 Cb 0.28 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.84 1hqv h ASP 150 CO 0.00 0.00 -0.74 0.15 -1.72 0.00 0.00 179.24 176.93 1hqv h PHE 151 N 0.00 0.76 0.31 4.55 3.57 -0.50 -2.04 116.94 123.59 1hqv h PHE 151 Ca 0.00 -0.41 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 1hqv h PHE 151 Cb 0.85 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1hqv h PHE 151 CO 0.00 1.23 -0.15 0.82 -2.23 0.00 0.00 178.31 177.98 1hqv h ILE 152 N 0.06 0.71 -0.34 1.41 2.04 -1.40 -1.92 117.51 118.09 1hqv h ILE 152 Ca -0.09 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1hqv h ILE 152 Cb 1.44 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1hqv h ILE 152 CO 0.15 0.05 0.03 1.56 0.00 0.00 0.00 178.15 179.93 1hqv h GLN 153 N -0.54 0.13 -0.77 2.37 1.08 -1.57 0.33 115.11 116.14 1hqv h GLN 153 Ca -0.04 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1hqv h GLN 153 Cb 0.40 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 1hqv h GLN 153 CO 0.07 0.08 0.48 0.78 -0.95 0.00 0.00 178.83 179.29 1hqv h GLY 154 N 0.13 1.13 1.51 3.46 0.00 -1.34 0.21 103.07 108.16 1hqv h GLY 154 Ca 0.16 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1hqv h GLY 154 CO -0.25 0.28 -0.38 0.00 0.00 0.00 0.00 176.54 176.19 1hqv h ILE 156 N 0.46 1.19 -0.79 0.00 2.04 0.22 -1.53 117.51 119.09 1hqv h ILE 156 Ca 0.04 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1hqv h ILE 156 Cb 0.87 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1hqv h ILE 156 CO 0.07 0.16 0.52 0.58 0.00 0.00 0.00 178.15 179.48 1hqv h VAL 157 N -0.19 1.13 0.11 1.67 2.07 -0.84 0.38 116.25 120.58 1hqv h VAL 157 Ca 0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1hqv h VAL 157 Cb 0.25 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1hqv h VAL 157 CO 0.00 0.18 -0.05 -0.07 0.02 0.00 0.00 177.57 177.65 1hqv h LEU 158 N 0.98 -0.12 -1.39 2.57 3.38 -1.01 -0.22 115.31 119.50 1hqv h LEU 158 Ca 0.31 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1hqv h LEU 158 Cb 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1hqv h LEU 158 CO -0.09 0.11 -0.21 0.06 0.09 0.00 0.00 178.44 178.40 1hqv h GLN 159 N -0.36 0.14 0.00 1.13 3.07 -0.84 0.18 115.11 118.43 1hqv h GLN 159 Ca -0.01 -0.04 -0.13 0.00 0.09 0.00 0.00 58.65 58.56 1hqv h GLN 159 Cb 0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.82 1hqv h GLN 159 CO 0.02 0.35 -0.62 -0.09 0.09 0.00 0.00 178.83 178.58 1hqv h ARG 160 N 0.13 0.00 0.00 0.06 2.43 -0.08 -2.72 114.38 114.20 1hqv h ARG 160 Ca 0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1hqv h ARG 160 Cb 0.46 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1hqv h ARG 160 CO 0.03 0.62 -1.38 1.28 -1.51 0.00 0.00 179.97 179.02 1hqv n LEU 161 N -3.71 0.71 0.12 3.80 4.77 -0.11 -3.71 117.00 118.87 1hqv n LEU 161 Ca -0.01 0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 56.25 1hqv n LEU 161 Cb 0.64 0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.86 1hqv n LEU 161 CO 0.42 0.02 0.41 0.74 -1.33 0.00 0.00 177.39 177.64 1hqv h THR 162 N 0.00 1.45 0.59 -5.08 2.02 -0.61 -1.86 112.91 109.42 1hqv h THR 162 Ca -0.10 -2.45 -0.03 0.00 0.77 0.00 0.00 66.41 64.60 1hqv h THR 162 Cb 1.33 2.34 0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1hqv h THR 162 CO 0.02 0.69 -0.28 -0.78 0.37 0.00 0.00 175.52 175.54 1hqv h ASP 163 N 0.00 -0.67 -0.62 4.18 3.58 -1.61 -1.78 116.42 119.51 1hqv h ASP 163 Ca -0.01 -0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.54 1hqv h ASP 163 Cb 1.29 0.17 -0.11 0.00 1.72 0.00 0.00 39.33 42.40 1hqv h ASP 163 CO 0.09 -0.32 -0.07 0.40 -2.88 0.00 0.00 179.24 176.46 1hqv h ILE 164 N -1.07 0.44 -0.75 2.25 2.04 -1.63 0.33 117.51 119.11 1hqv h ILE 164 Ca -0.08 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1hqv h ILE 164 Cb 0.66 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1hqv h ILE 164 CO 0.13 0.01 0.45 0.15 0.00 0.00 0.00 178.15 178.90 1hqv h PHE 165 N 0.06 0.84 0.00 1.37 3.57 -1.30 -1.89 116.94 119.59 1hqv h PHE 165 Ca 0.31 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1hqv h PHE 165 Cb 0.50 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1hqv h PHE 165 CO -0.43 0.44 -0.15 0.00 -2.23 0.00 0.00 178.31 175.94 1hqv h ARG 166 N 0.85 0.00 0.00 1.11 3.08 -0.05 0.15 114.38 119.53 1hqv h ARG 166 Ca 0.32 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 1hqv h ARG 166 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1hqv h ARG 166 CO -0.15 0.15 -0.35 -0.09 -1.07 0.00 0.00 179.97 178.45 1hqv h ARG 167 N 0.00 0.00 0.06 0.04 2.43 -0.45 -3.26 114.38 113.19 1hqv h ARG 167 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.83 1hqv h ARG 167 Cb 0.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1hqv h ARG 167 CO 0.02 0.35 -1.86 0.66 -1.51 0.00 0.00 179.97 177.63 1hqv n TYR 168 N -3.71 0.92 -1.82 2.20 0.53 -0.49 -4.62 117.16 110.17 1hqv n TYR 168 Ca -0.01 0.27 -0.39 0.00 -1.02 0.00 0.00 57.90 56.75 1hqv n TYR 168 Cb 0.45 -1.11 -0.03 0.00 -1.03 0.00 0.00 39.34 37.61 1hqv n TYR 168 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1hqv n ASP 169 N -3.85 3.46 -0.30 7.72 2.03 0.42 -4.76 116.55 121.27 1hqv n ASP 169 Ca -0.36 -2.77 0.13 0.00 0.52 0.00 0.00 54.79 52.32 1hqv n ASP 169 Cb 0.91 -1.53 0.31 0.00 -0.72 0.00 0.00 41.12 40.08 1hqv n ASP 169 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1hqv h THR 170 N 5.07 0.44 -0.42 5.18 1.35 -1.82 0.55 112.91 123.27 1hqv h THR 170 Ca 0.40 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 1hqv h THR 170 Cb 0.78 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1hqv h THR 170 CO 1.64 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 176.08 1hqv n ASP 171 N -5.08 2.51 -3.70 5.36 5.75 -1.26 -4.93 116.55 115.21 1hqv n ASP 171 Ca 0.22 -2.08 -0.27 0.00 -0.01 0.00 0.00 54.79 52.65 1hqv n ASP 171 Cb 0.67 -0.33 -0.05 0.00 -1.03 0.00 0.00 41.12 40.37 1hqv n ASP 171 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hqv n GLN 172 N 0.70 -1.40 -0.03 0.11 1.13 0.19 -4.77 117.38 113.32 1hqv n GLN 172 Ca 0.15 0.09 0.13 0.00 -1.94 0.00 0.00 57.00 55.42 1hqv n GLN 172 Cb 0.43 -4.29 0.55 0.00 0.11 0.00 0.00 30.24 27.04 1hqv n GLN 172 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1hqv n ASP 173 N -1.95 1.10 0.00 1.08 5.75 -1.26 -4.90 116.55 116.38 1hqv n ASP 173 Ca 0.08 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1hqv n ASP 173 Cb 0.43 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1hqv n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hqv n GLY 174 N 1.08 0.71 3.06 6.12 0.00 -1.26 -4.82 105.19 110.08 1hqv n GLY 174 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1hqv n GLY 174 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1hqv s TRP 175 N -2.47 0.72 0.06 1.61 0.52 -1.26 -4.91 118.94 113.22 1hqv s TRP 175 Ca 0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 56.10 55.56 1hqv s TRP 175 Cb 0.00 -0.43 0.01 0.00 -1.15 0.00 0.00 33.47 31.90 1hqv s TRP 175 CO 0.00 -0.06 0.25 0.96 0.02 0.00 0.00 176.95 178.12 1hqv s ILE 176 N -1.22 0.10 -0.19 2.03 -4.36 -1.26 -4.77 121.20 111.53 1hqv s ILE 176 Ca -0.08 -0.86 -0.02 0.00 -0.26 0.00 0.00 60.65 59.43 1hqv s ILE 176 Cb -0.09 -1.04 -0.01 0.00 1.25 0.00 0.00 42.46 42.57 1hqv s ILE 176 CO 0.01 -0.47 -0.09 -1.58 0.24 0.00 0.00 174.94 173.04 1hqv s GLN 177 N -2.94 3.34 0.08 0.37 0.74 -1.26 -5.11 119.66 114.88 1hqv s GLN 177 Ca -0.02 -0.67 0.07 0.00 0.05 0.00 0.00 55.36 54.79 1hqv s GLN 177 Cb 0.01 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.24 1hqv s GLN 177 CO -0.06 -0.07 -0.19 0.14 -0.55 0.00 0.00 175.29 174.56 1hqv s VAL 178 N 1.10 1.53 0.37 1.34 -7.23 -1.26 -5.11 120.40 111.14 1hqv s VAL 178 Ca 0.01 -1.41 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 1hqv s VAL 178 Cb -0.15 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.34 1hqv s VAL 178 CO -0.02 -0.06 0.70 -0.94 -0.31 0.00 0.00 175.10 174.47 1hqv s SER 179 N -1.73 6.49 0.28 4.85 1.04 -1.26 -4.86 113.70 118.51 1hqv s SER 179 Ca 0.04 1.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.43 1hqv s SER 179 Cb -0.10 -2.27 0.56 0.00 0.10 0.00 0.00 66.02 64.32 1hqv s SER 179 CO 0.03 -0.34 1.59 0.22 0.98 0.00 0.00 173.24 175.72 1hqv h TYR 180 N 1.38 -0.21 0.73 5.02 3.20 -2.00 0.14 116.97 125.22 1hqv h TYR 180 Ca -0.47 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 1hqv h TYR 180 Cb 1.19 0.24 0.01 0.00 1.54 0.00 0.00 36.73 39.71 1hqv h TYR 180 CO 0.60 -0.38 -0.35 0.93 -1.64 0.00 0.00 178.16 177.31 1hqv h GLU 181 N 0.03 -0.95 -0.89 1.82 5.08 -1.99 -1.76 114.58 115.91 1hqv h GLU 181 Ca 0.50 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 59.14 1hqv h GLU 181 Cb 0.92 0.22 -0.16 0.00 0.50 0.00 0.00 28.75 30.22 1hqv h GLU 181 CO -0.88 -0.63 -0.03 1.96 -1.00 0.00 0.00 179.01 178.42 1hqv h GLN 182 N -1.09 0.05 -0.26 2.33 4.20 -1.77 1.85 115.11 120.43 1hqv h GLN 182 Ca -0.10 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.64 1hqv h GLN 182 Cb 0.76 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.46 1hqv h GLN 182 CO 0.17 0.03 -0.51 -0.92 -0.67 0.00 0.00 178.83 176.92 1hqv h TYR 183 N 0.05 -1.55 -0.32 2.96 3.20 -0.51 0.62 116.97 121.40 1hqv h TYR 183 Ca 0.50 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.42 1hqv h TYR 183 Cb 0.93 0.71 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 1hqv h TYR 183 CO -0.51 -0.48 0.13 -0.07 -1.64 0.00 0.00 178.16 175.58 1hqv h LEU 184 N -0.46 0.45 -0.50 2.82 3.38 0.17 -0.91 115.31 120.26 1hqv h LEU 184 Ca 0.05 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1hqv h LEU 184 Cb 0.59 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1hqv h LEU 184 CO -0.48 0.50 0.17 0.77 0.09 0.00 0.00 178.44 179.49 1hqv h SER 185 N 0.37 0.17 1.60 -0.43 4.64 0.31 0.40 113.55 120.60 1hqv h SER 185 Ca 0.11 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1hqv h SER 185 Cb 0.19 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1hqv h SER 185 CO -0.01 0.12 -0.11 0.00 -0.87 0.00 0.00 176.83 175.97 1hqv h MET 186 N 0.35 0.00 -0.00 4.77 -0.00 0.31 -2.44 114.93 117.91 1hqv h MET 186 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.94 1hqv h MET 186 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1hqv h MET 186 CO -0.25 0.11 -0.17 0.28 -0.00 0.00 0.00 176.91 176.88 1hqv n VAL 187 N -3.15 0.00 0.51 -0.10 0.31 -0.33 -5.09 118.33 110.49 1hqv n VAL 187 Ca 0.03 -0.04 0.06 0.00 -0.01 0.00 0.00 64.34 64.37 1hqv n VAL 187 Cb 0.51 -0.08 0.05 0.00 -0.91 0.00 0.00 33.84 33.41 1hqv n VAL 187 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00