#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqq h ILE 17 N 0.00 0.83 -2.69 -0.61 2.04 -1.97 -3.47 117.51 111.64 1hqq h ILE 17 Ca 0.00 -2.55 -0.56 0.00 1.00 0.00 0.00 64.86 62.75 1hqq h ILE 17 Cb 0.00 2.57 0.07 0.00 -0.74 0.00 0.00 36.82 38.72 1hqq h ILE 17 CO 0.00 0.78 0.80 0.41 0.00 0.00 0.00 178.15 180.14 1hqq n THR 18 N -3.38 0.51 -0.29 -0.27 -1.04 -1.26 -4.80 114.28 103.75 1hqq n THR 18 Ca -0.24 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1hqq n THR 18 Cb 1.05 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1hqq n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqq n GLY 19 N 2.86 0.85 3.71 3.41 0.00 -0.10 -5.00 105.19 110.92 1hqq n GLY 19 Ca 0.13 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1hqq n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hqq s THR 20 N -2.49 5.22 0.13 2.61 2.01 -1.26 -1.35 115.64 120.51 1hqq s THR 20 Ca 0.00 0.12 0.09 0.00 0.31 0.00 0.00 61.69 62.21 1hqq s THR 20 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1hqq s THR 20 CO 0.00 0.46 -0.21 0.26 -0.69 0.00 0.00 174.62 174.44 1hqq s TRP 21 N 0.23 1.93 -0.00 4.92 0.52 0.20 -4.63 118.94 122.11 1hqq s TRP 21 Ca 0.07 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.82 1hqq s TRP 21 Cb -0.11 -1.02 -0.01 0.00 -1.15 0.00 0.00 33.47 31.18 1hqq s TRP 21 CO -0.01 0.29 -0.15 0.71 0.02 0.00 0.00 176.95 177.82 1hqq s TYR 22 N -1.46 1.31 0.47 -1.98 2.02 -0.11 -0.20 117.35 117.40 1hqq s TYR 22 Ca 0.12 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 1hqq s TYR 22 Cb -0.09 -0.83 0.05 0.00 -0.40 0.00 0.00 41.96 40.70 1hqq s TYR 22 CO 0.06 -0.01 0.41 0.27 -1.57 0.00 0.00 175.55 174.71 1hqq n ASN 23 N 2.57 2.37 0.22 2.29 6.94 -1.05 -0.70 115.26 127.89 1hqq n ASN 23 Ca -0.15 -2.56 0.13 0.00 -0.02 0.00 0.00 54.58 51.98 1hqq n ASN 23 Cb 0.55 -0.10 0.26 0.00 -2.36 0.00 0.00 39.78 38.13 1hqq n ASN 23 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1hqq h GLN 24 N 0.00 0.00 0.00 -3.83 4.20 -1.91 -3.27 115.11 110.29 1hqq h GLN 24 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1hqq h GLN 24 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1hqq h GLN 24 CO 0.44 0.00 -0.00 1.28 -0.67 0.00 0.00 178.83 179.88 1hqq n LEU 25 N -3.03 0.56 0.00 1.46 4.77 -1.26 -4.91 117.00 114.59 1hqq n LEU 25 Ca 0.04 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1hqq n LEU 25 Cb 0.49 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1hqq n LEU 25 CO 0.33 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1hqq n GLY 26 N 1.37 1.90 3.65 -0.72 0.00 -1.23 -5.05 105.19 105.10 1hqq n GLY 26 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1hqq n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqq s SER 27 N -2.00 4.75 -0.12 1.61 0.01 -1.26 -2.15 113.70 114.54 1hqq s SER 27 Ca 0.00 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.94 1hqq s SER 27 Cb 0.00 -1.02 -0.00 0.00 0.21 0.00 0.00 66.02 65.21 1hqq s SER 27 CO 0.00 0.13 -0.19 -0.89 0.41 0.00 0.00 173.24 172.69 1hqq s THR 28 N -1.52 2.44 -0.31 1.44 2.01 0.23 -2.54 115.64 117.39 1hqq s THR 28 Ca 0.26 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 1hqq s THR 28 Cb -0.10 -1.98 0.04 0.00 0.01 0.00 0.00 72.50 70.48 1hqq s THR 28 CO 0.17 0.54 0.02 0.12 -0.69 0.00 0.00 174.62 174.79 1hqq s PHE 29 N 0.42 3.25 -0.28 4.92 5.36 0.72 -0.79 117.98 131.58 1hqq s PHE 29 Ca -0.14 -1.73 -0.07 0.00 -0.96 0.00 0.00 56.93 54.03 1hqq s PHE 29 Cb -0.17 -2.14 -0.00 0.00 -0.34 0.00 0.00 43.02 40.37 1hqq s PHE 29 CO 0.06 -0.78 0.08 0.42 -1.46 0.00 0.00 175.22 173.55 1hqq s ILE 30 N 1.30 4.08 0.06 3.12 1.01 -0.47 0.59 121.20 130.89 1hqq s ILE 30 Ca -0.04 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1hqq s ILE 30 Cb -0.19 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1hqq s ILE 30 CO -0.00 0.15 -0.07 0.54 0.00 0.00 0.00 174.94 175.56 1hqq s VAL 31 N 1.54 0.58 -0.11 2.92 0.11 -0.46 -1.00 120.40 123.98 1hqq s VAL 31 Ca 0.04 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.66 1hqq s VAL 31 Cb -0.17 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.63 1hqq s VAL 31 CO 0.03 -0.60 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.15 1hqq s THR 32 N -2.37 1.52 -0.39 5.04 2.01 0.06 -0.92 115.64 120.59 1hqq s THR 32 Ca -0.01 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1hqq s THR 32 Cb -0.03 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.09 1hqq s THR 32 CO -0.02 0.45 0.41 0.00 -0.69 0.00 0.00 174.62 174.77 1hqq s ALA 33 N 1.02 3.45 0.66 7.40 0.00 -1.26 -2.23 121.76 130.81 1hqq s ALA 33 Ca -0.06 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.37 1hqq s ALA 33 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1hqq s ALA 33 CO -0.02 -1.42 1.05 0.20 0.00 0.00 0.00 175.76 175.57 1hqq s GLY 34 N 1.78 1.78 0.53 0.00 0.00 0.85 -4.90 107.32 107.36 1hqq s GLY 34 Ca 0.12 0.15 0.28 0.00 0.00 0.00 0.00 44.72 45.27 1hqq s GLY 34 CO 0.13 0.45 2.07 0.00 0.00 0.00 0.00 173.10 175.75 1hqq h ALA 35 N -0.39 1.23 0.00 3.20 0.00 -1.98 -2.47 119.26 118.85 1hqq h ALA 35 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1hqq h ALA 35 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hqq h ALA 35 CO 0.57 0.14 -0.20 -0.40 0.00 0.00 0.00 179.25 179.36 1hqq n ASP 36 N -3.56 0.59 0.00 0.00 5.75 -1.26 -4.91 116.55 113.16 1hqq n ASP 36 Ca -0.02 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1hqq n ASP 36 Cb 0.25 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1hqq n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hqq n GLY 37 N 1.37 1.29 3.86 6.12 0.00 -0.93 -4.87 105.19 112.04 1hqq n GLY 37 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1hqq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqq s ALA 38 N -2.00 3.54 -0.09 4.61 0.00 -1.26 -0.87 121.76 125.70 1hqq s ALA 38 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1hqq s ALA 38 Cb 0.00 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1hqq s ALA 38 CO 0.00 0.48 -0.19 -0.51 0.00 0.00 0.00 175.76 175.53 1hqq s LEU 39 N -2.65 1.92 0.01 0.00 1.43 -0.31 -0.11 118.68 118.98 1hqq s LEU 39 Ca 0.46 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1hqq s LEU 39 Cb -0.12 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 1hqq s LEU 39 CO 0.20 0.10 -0.02 0.42 0.23 0.00 0.00 176.35 177.29 1hqq s THR 40 N 0.52 0.08 -2.77 5.49 -4.23 -0.95 -0.80 115.64 112.98 1hqq s THR 40 Ca -0.16 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1hqq s THR 40 Cb -0.17 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.48 1hqq s THR 40 CO 0.06 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1hqq n GLY 41 N 2.04 -0.58 2.99 3.99 0.00 -0.92 -0.76 105.19 111.95 1hqq n GLY 41 Ca -0.20 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1hqq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hqq s THR 42 N -3.52 0.25 -0.15 2.61 -4.23 -0.17 -1.83 115.64 108.61 1hqq s THR 42 Ca 0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1hqq s THR 42 Cb 0.00 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.49 1hqq s THR 42 CO 0.00 -0.37 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.10 1hqq s TYR 43 N -1.18 2.79 0.27 3.99 6.14 0.54 -1.37 117.35 128.53 1hqq s TYR 43 Ca -0.11 -0.93 0.02 0.00 0.64 0.00 0.00 57.07 56.68 1hqq s TYR 43 Cb -0.08 -1.88 -0.03 0.00 0.42 0.00 0.00 41.96 40.39 1hqq s TYR 43 CO -0.00 -0.41 0.25 -1.83 0.64 0.00 0.00 175.55 174.20 1hqq s GLU 44 N 0.71 1.54 0.80 4.97 -1.05 0.03 -0.73 118.70 124.97 1hqq s GLU 44 Ca -0.07 -1.78 -0.12 0.00 -0.15 0.00 0.00 54.97 52.85 1hqq s GLU 44 Cb -0.16 0.33 0.08 0.00 -0.44 0.00 0.00 34.13 33.94 1hqq s GLU 44 CO 0.02 -0.56 1.17 -1.54 0.95 0.00 0.00 175.26 175.30 1hqq s SER 45 N -3.25 4.56 0.27 0.83 1.04 -1.23 -0.60 113.70 115.32 1hqq s SER 45 Ca 0.38 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1hqq s SER 45 Cb 0.04 -1.32 0.53 0.00 0.10 0.00 0.00 66.02 65.36 1hqq s SER 45 CO 0.19 -1.88 1.82 0.00 0.98 0.00 0.00 173.24 174.36 1hqq h ALA 46 N -1.04 1.44 0.00 5.32 0.00 -1.77 -1.39 119.26 121.82 1hqq h ALA 46 Ca -0.46 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1hqq h ALA 46 Cb 1.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1hqq h ALA 46 CO 0.66 0.18 -0.57 0.28 0.00 0.00 0.00 179.25 179.80 1hqq h VAL 47 N 0.93 1.39 -0.09 0.00 2.07 -1.92 -3.48 116.25 115.15 1hqq h VAL 47 Ca 0.48 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 1hqq h VAL 47 Cb 0.48 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1hqq h VAL 47 CO -0.27 0.56 -0.04 0.61 0.02 0.00 0.00 177.57 178.45 1hqq n GLY 48 N 0.13 0.55 3.72 2.17 0.00 -0.52 -5.01 105.19 106.22 1hqq n GLY 48 Ca -0.01 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 1hqq n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hqq n ASN 49 N 0.97 2.06 -0.25 1.61 2.04 -1.26 -4.88 115.26 115.55 1hqq n ASN 49 Ca -0.02 0.84 0.10 0.00 -0.44 0.00 0.00 54.58 55.06 1hqq n ASN 49 Cb 0.09 -1.55 0.36 0.00 -2.53 0.00 0.00 39.78 36.15 1hqq n ASN 49 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1hqq h ALA 50 N 0.62 1.78 0.00 -2.53 0.00 -1.96 -1.88 119.26 115.29 1hqq h ALA 50 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1hqq h ALA 50 Cb 1.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hqq h ALA 50 CO 0.53 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.73 1hqq h GLU 51 N 0.73 0.00 -0.30 0.00 3.07 -2.01 -2.85 114.58 113.22 1hqq h GLU 51 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1hqq h GLU 51 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1hqq h GLU 51 CO -0.17 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.31 1hqq n SER 52 N -2.78 3.86 -4.65 1.42 3.41 -0.71 -4.70 113.62 109.47 1hqq n SER 52 Ca 0.01 -2.84 -0.35 0.00 -0.26 0.00 0.00 58.87 55.42 1hqq n SER 52 Cb 0.25 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.60 1hqq n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1hqq s ARG 53 N -2.52 4.03 0.07 4.33 3.52 -1.08 -3.52 118.95 123.78 1hqq s ARG 53 Ca 0.40 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.76 1hqq s ARG 53 Cb 0.31 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 1hqq s ARG 53 CO 0.11 0.17 -0.17 0.71 -0.81 0.00 0.00 175.30 175.31 1hqq s TYR 54 N 0.69 1.44 0.30 5.12 1.51 0.09 -4.81 117.35 121.69 1hqq s TYR 54 Ca 0.06 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.43 1hqq s TYR 54 Cb -0.13 -0.82 -0.09 0.00 -0.11 0.00 0.00 41.96 40.81 1hqq s TYR 54 CO 0.01 0.10 1.04 0.08 -1.11 0.00 0.00 175.55 175.67 1hqq s VAL 55 N -1.08 3.71 0.03 0.71 1.01 -1.26 -0.34 120.40 123.18 1hqq s VAL 55 Ca 0.02 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1hqq s VAL 55 Cb -0.09 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1hqq s VAL 55 CO 0.02 0.29 -0.12 -1.48 0.00 0.00 0.00 175.10 173.81 1hqq s LEU 56 N -1.72 2.16 -0.01 3.92 0.05 -0.76 -4.30 118.68 118.02 1hqq s LEU 56 Ca 0.47 -0.42 -0.05 0.00 0.05 0.00 0.00 54.13 54.18 1hqq s LEU 56 Cb -0.27 -0.48 0.00 0.00 -2.05 0.00 0.00 46.19 43.39 1hqq s LEU 56 CO 0.35 -0.00 0.10 0.28 -0.55 0.00 0.00 176.35 176.52 1hqq s THR 57 N -0.84 0.06 0.00 5.48 -1.32 -1.05 -2.17 115.64 115.80 1hqq s THR 57 Ca -0.00 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1hqq s THR 57 Cb -0.07 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 1hqq s THR 57 CO 0.01 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 1hqq n GLY 58 N 2.06 1.91 3.09 6.08 0.00 0.02 -0.81 105.19 117.53 1hqq n GLY 58 Ca -0.19 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1hqq n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hqq s ARG 59 N -0.83 0.56 0.10 1.61 1.81 -0.42 -1.16 118.95 120.61 1hqq s ARG 59 Ca 0.00 -0.88 -0.09 0.00 -1.72 0.00 0.00 55.73 53.05 1hqq s ARG 59 Cb 0.00 0.21 -0.00 0.00 -0.45 0.00 0.00 34.95 34.71 1hqq s ARG 59 CO 0.00 -0.13 0.20 1.52 -0.68 0.00 0.00 175.30 176.22 1hqq s TYR 60 N -2.85 0.16 -0.48 -0.53 1.13 -0.05 -1.62 117.35 113.11 1hqq s TYR 60 Ca -0.03 -0.59 -0.29 0.00 -1.41 0.00 0.00 57.07 54.76 1hqq s TYR 60 Cb 0.00 -0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1hqq s TYR 60 CO -0.06 -0.56 1.30 0.34 -2.51 0.00 0.00 175.55 174.06 1hqq s ASP 61 N -2.87 6.40 0.00 -0.18 -1.08 -0.47 -4.62 116.67 113.86 1hqq s ASP 61 Ca 0.06 0.51 0.32 0.00 -0.52 0.00 0.00 52.55 52.92 1hqq s ASP 61 Cb 0.05 -2.55 1.85 0.00 -1.46 0.00 0.00 42.92 40.81 1hqq s ASP 61 CO -0.10 -1.44 2.20 -1.54 0.52 0.00 0.00 175.17 174.81 1hqq n SER 62 N 8.62 0.03 -3.13 -0.34 3.41 -1.26 -4.00 113.62 116.94 1hqq n SER 62 Ca 0.13 -0.90 -0.19 0.00 -0.26 0.00 0.00 58.87 57.65 1hqq n SER 62 Cb 0.49 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1hqq n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hqq n ALA 63 N -1.02 1.77 -0.79 7.33 0.00 -1.26 -5.05 120.51 121.49 1hqq n ALA 63 Ca 0.23 -3.14 -0.30 0.00 0.00 0.00 0.00 53.44 50.23 1hqq n ALA 63 Cb 0.13 -0.92 0.18 0.00 0.00 0.00 0.00 19.45 18.83 1hqq n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hqq s PRO 64 N -1.51 0.68 0.77 0.00 0.04 -1.26 -4.99 135.00 128.73 1hqq s PRO 64 Ca 0.36 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 1hqq s PRO 64 Cb 0.26 -1.71 0.06 0.00 0.04 0.00 0.00 34.50 33.15 1hqq s PRO 64 CO -0.10 -2.76 1.13 0.00 0.04 0.00 0.00 177.00 175.32 1hqq s ALA 65 N -2.67 2.10 -0.25 8.56 0.00 -1.26 -4.96 121.76 123.28 1hqq s ALA 65 Ca 0.66 0.54 0.13 0.00 0.00 0.00 0.00 51.96 53.28 1hqq s ALA 65 Cb -0.22 -3.37 0.58 0.00 0.00 0.00 0.00 23.12 20.12 1hqq s ALA 65 CO 0.59 -1.89 1.55 0.25 0.00 0.00 0.00 175.76 176.25 1hqq n THR 66 N -3.24 2.55 -0.21 0.00 -2.24 -1.26 -4.49 114.28 105.39 1hqq n THR 66 Ca 0.11 -2.06 0.09 0.00 -2.27 0.00 0.00 64.05 59.92 1hqq n THR 66 Cb 0.52 -0.31 0.30 0.00 -2.10 0.00 0.00 70.33 68.75 1hqq n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hqq n ASP 67 N -0.60 3.93 0.00 3.42 5.68 -1.26 -4.88 116.55 122.83 1hqq n ASP 67 Ca 0.31 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1hqq n ASP 67 Cb 1.08 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1hqq n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hqq n GLY 68 N 1.19 0.74 3.81 6.12 0.00 -1.26 -5.07 105.19 110.71 1hqq n GLY 68 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1hqq n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqq s SER 69 N -2.54 5.36 1.00 1.61 0.01 -1.26 -5.05 113.70 112.82 1hqq s SER 69 Ca 0.00 1.69 -0.16 0.00 1.31 0.00 0.00 55.95 58.79 1hqq s SER 69 Cb 0.00 -2.51 0.21 0.00 0.21 0.00 0.00 66.02 63.93 1hqq s SER 69 CO 0.00 -1.46 1.27 -0.83 0.41 0.00 0.00 173.24 172.63 1hqq s GLY 70 N -3.50 1.73 -0.31 3.44 0.00 -1.26 -4.83 107.32 102.58 1hqq s GLY 70 Ca 0.60 -1.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 1hqq s GLY 70 CO 0.51 -0.34 0.12 -1.59 0.00 0.00 0.00 173.10 171.80 1hqq s THR 71 N -3.68 4.21 0.32 0.90 2.01 -0.38 -4.75 115.64 114.27 1hqq s THR 71 Ca 0.73 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 1hqq s THR 71 Cb -0.06 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.15 1hqq s THR 71 CO 0.53 0.02 1.32 0.00 -0.69 0.00 0.00 174.62 175.81 1hqq s ALA 72 N 1.53 3.51 0.29 7.40 0.00 -1.26 -0.90 121.76 132.33 1hqq s ALA 72 Ca 0.03 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 1hqq s ALA 72 Cb -0.18 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1hqq s ALA 72 CO 0.04 -0.65 0.69 -0.48 0.00 0.00 0.00 175.76 175.36 1hqq s LEU 73 N -1.62 -0.15 -0.10 0.00 0.05 -0.37 -1.36 118.68 115.14 1hqq s LEU 73 Ca 0.50 -0.71 -0.30 0.00 0.05 0.00 0.00 54.13 53.67 1hqq s LEU 73 Cb -0.40 2.60 0.12 0.00 -2.05 0.00 0.00 46.19 46.46 1hqq s LEU 73 CO 0.52 -1.35 0.96 -0.83 -0.55 0.00 0.00 176.35 175.09 1hqq s GLY 74 N -2.95 -0.36 0.20 -3.48 0.00 -0.64 -1.73 107.32 98.36 1hqq s GLY 74 Ca 0.13 1.58 -0.14 0.00 0.00 0.00 0.00 44.72 46.29 1hqq s GLY 74 CO 0.08 0.72 0.44 0.66 0.00 0.00 0.00 173.10 175.00 1hqq s TRP 75 N -1.99 0.14 0.05 1.90 -2.14 -0.69 -1.30 118.94 114.91 1hqq s TRP 75 Ca 0.01 -0.50 0.05 0.00 2.66 0.00 0.00 56.10 58.32 1hqq s TRP 75 Cb -0.01 0.21 -0.02 0.00 -3.10 0.00 0.00 33.47 30.55 1hqq s TRP 75 CO -0.03 -0.87 -0.14 0.99 -2.66 0.00 0.00 176.95 174.24 1hqq s THR 76 N -3.93 1.11 -0.07 0.66 2.01 0.01 -1.31 115.64 114.12 1hqq s THR 76 Ca 0.14 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1hqq s THR 76 Cb 0.00 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1hqq s THR 76 CO 0.00 -0.04 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.20 1hqq s VAL 77 N -0.93 0.41 -0.17 3.82 1.01 -0.31 -2.52 120.40 121.71 1hqq s VAL 77 Ca 0.01 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1hqq s VAL 77 Cb -0.08 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1hqq s VAL 77 CO 0.01 0.27 0.47 0.00 0.00 0.00 0.00 175.10 175.85 1hqq s ALA 78 N 1.96 3.53 -0.96 5.51 0.00 -1.26 -1.05 121.76 129.49 1hqq s ALA 78 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 1hqq s ALA 78 Cb -0.12 -2.70 -0.11 0.00 0.00 0.00 0.00 23.12 20.18 1hqq s ALA 78 CO -0.05 -0.25 2.73 0.91 0.00 0.00 0.00 175.76 179.09 1hqq n TRP 79 N 4.32 1.42 -3.80 0.00 7.02 -0.09 -4.76 117.44 121.55 1hqq n TRP 79 Ca -0.07 -2.23 -0.14 0.00 -1.02 0.00 0.00 57.50 54.05 1hqq n TRP 79 Cb 0.51 -1.93 -0.15 0.00 -2.42 0.00 0.00 31.31 27.32 1hqq n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1hqq s LYS 80 N 2.33 -0.01 0.00 -0.99 2.20 -1.26 -0.79 119.74 121.22 1hqq s LYS 80 Ca 0.56 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1hqq s LYS 80 Cb 0.18 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1hqq s LYS 80 CO -0.04 -0.11 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 1hqq n ASN 81 N 3.76 0.38 0.00 1.43 0.23 -0.35 -4.75 115.26 115.96 1hqq n ASN 81 Ca -0.22 -0.45 0.14 0.00 -0.53 0.00 0.00 54.58 53.53 1hqq n ASN 81 Cb 0.54 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.07 1hqq n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1hqq n ASN 82 N -1.17 0.00 -0.01 0.53 3.02 -1.26 -3.86 115.26 112.51 1hqq n ASN 82 Ca 0.00 -0.76 -0.02 0.00 -0.03 0.00 0.00 54.58 53.78 1hqq n ASN 82 Cb 0.00 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1hqq n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hqq n TYR 83 N -1.05 0.00 -4.06 3.10 4.02 -1.26 -5.10 117.16 112.80 1hqq n TYR 83 Ca 0.20 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 58.01 1hqq n TYR 83 Cb 0.12 -0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.21 1hqq n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1hqq s ARG 84 N -2.07 0.74 -0.18 -0.72 0.52 -1.25 -5.14 118.95 110.86 1hqq s ARG 84 Ca -0.02 -1.23 -0.05 0.00 -0.52 0.00 0.00 55.73 53.91 1hqq s ARG 84 Cb 0.01 0.24 0.09 0.00 0.52 0.00 0.00 34.95 35.81 1hqq s ARG 84 CO 0.10 -0.18 0.32 1.21 0.02 0.00 0.00 175.30 176.77 1hqq s ASN 85 N -2.94 0.30 -0.02 0.23 3.84 -1.26 -1.21 114.94 113.88 1hqq s ASN 85 Ca 0.11 0.53 0.22 0.00 0.21 0.00 0.00 52.86 53.93 1hqq s ASN 85 Cb 0.07 0.91 0.66 0.00 -0.55 0.00 0.00 41.25 42.34 1hqq s ASN 85 CO -0.07 -0.26 1.55 0.00 -2.79 0.00 0.00 177.10 175.53 1hqq n ALA 86 N 5.36 2.49 -4.06 1.71 0.00 0.03 -4.98 120.51 121.06 1hqq n ALA 86 Ca -0.06 -1.35 -0.40 0.00 0.00 0.00 0.00 53.44 51.63 1hqq n ALA 86 Cb 0.50 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 1hqq n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hqq n HIS 87 N 1.55 -1.46 -3.71 0.00 8.25 -1.26 -4.87 115.22 113.72 1hqq n HIS 87 Ca 0.25 0.29 -0.06 0.00 -0.26 0.00 0.00 57.72 57.93 1hqq n HIS 87 Cb 0.67 -2.96 -0.02 0.00 1.12 0.00 0.00 29.99 28.79 1hqq n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hqq s SER 88 N -3.77 -0.28 -0.07 0.41 1.04 -1.26 -1.38 113.70 108.39 1hqq s SER 88 Ca 0.35 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.29 1hqq s SER 88 Cb -0.18 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.53 1hqq s SER 88 CO 0.96 -1.01 0.32 0.00 0.98 0.00 0.00 173.24 174.49 1hqq s ALA 89 N -3.52 -0.81 -0.01 5.32 0.00 -0.38 -0.91 121.76 121.45 1hqq s ALA 89 Ca 0.09 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1hqq s ALA 89 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1hqq s ALA 89 CO 0.00 -0.21 -0.24 0.99 0.00 0.00 0.00 175.76 176.30 1hqq s THR 90 N -0.53 1.92 -0.04 0.00 2.01 -0.21 -1.12 115.64 117.67 1hqq s THR 90 Ca -0.06 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 60.93 1hqq s THR 90 Cb -0.04 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1hqq s THR 90 CO 0.02 0.52 -0.22 0.42 -0.69 0.00 0.00 174.62 174.67 1hqq s THR 91 N -0.59 1.82 -0.11 -0.82 -4.23 -0.59 -1.16 115.64 109.96 1hqq s THR 91 Ca 0.09 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1hqq s THR 91 Cb -0.09 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 1hqq s THR 91 CO -0.01 0.51 -0.12 0.26 -0.54 0.00 0.00 174.62 174.73 1hqq s TRP 92 N -0.19 2.82 -0.07 3.99 0.51 -0.43 -1.38 118.94 124.19 1hqq s TRP 92 Ca -0.01 -0.45 0.03 0.00 -2.12 0.00 0.00 56.10 53.55 1hqq s TRP 92 Cb -0.12 -1.80 0.01 0.00 -0.81 0.00 0.00 33.47 30.75 1hqq s TRP 92 CO 0.02 -0.07 -0.15 0.45 -0.51 0.00 0.00 176.95 176.70 1hqq s SER 93 N 0.03 2.04 0.00 2.95 0.15 -0.20 -1.70 113.70 116.98 1hqq s SER 93 Ca -0.04 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1hqq s SER 93 Cb -0.14 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1hqq s SER 93 CO 0.04 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1hqq n GLY 94 N 3.73 1.15 3.12 9.45 0.00 -0.70 -1.39 105.19 120.56 1hqq n GLY 94 Ca -0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1hqq n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hqq s GLN 95 N 1.59 0.48 -0.06 1.61 -2.07 -0.67 -1.24 119.66 119.30 1hqq s GLN 95 Ca 0.00 -0.27 -0.17 0.00 -1.82 0.00 0.00 55.36 53.10 1hqq s GLN 95 Cb 0.00 0.20 -0.05 0.00 -1.09 0.00 0.00 33.01 32.07 1hqq s GLN 95 CO 0.00 -0.11 0.46 -0.47 -1.32 0.00 0.00 175.29 173.85 1hqq s TYR 96 N -1.15 3.62 -0.17 9.60 5.04 -0.07 -1.67 117.35 132.54 1hqq s TYR 96 Ca -0.12 0.97 0.01 0.00 -2.44 0.00 0.00 57.07 55.48 1hqq s TYR 96 Cb -0.06 -2.46 0.02 0.00 0.35 0.00 0.00 41.96 39.82 1hqq s TYR 96 CO 0.02 0.38 -0.17 0.08 -1.34 0.00 0.00 175.55 174.52 1hqq s VAL 97 N -0.15 1.85 0.97 3.14 1.01 0.89 -1.24 120.40 126.87 1hqq s VAL 97 Ca 0.25 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1hqq s VAL 97 Cb -0.16 -1.72 0.21 0.00 0.00 0.00 0.00 36.38 34.70 1hqq s VAL 97 CO 0.12 0.46 1.33 -0.83 0.00 0.00 0.00 175.10 176.18 1hqq s GLY 98 N 1.36 1.79 0.00 4.51 0.00 -1.26 -1.30 107.32 112.42 1hqq s GLY 98 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1hqq s GLY 98 CO -0.11 -0.46 0.00 0.61 0.00 0.00 0.00 173.10 173.14 1hqq n GLY 99 N -3.78 0.91 0.36 0.20 0.00 -1.26 -4.58 105.19 97.04 1hqq n GLY 99 Ca 0.16 -2.22 0.10 0.00 0.00 0.00 0.00 46.02 44.05 1hqq n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqq h ALA 100 N 0.00 1.81 -2.17 4.61 0.00 -2.07 -2.59 119.26 118.85 1hqq h ALA 100 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1hqq h ALA 100 Cb 0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 17.24 1hqq h ALA 100 CO 0.00 0.02 -0.45 -0.85 0.00 0.00 0.00 179.25 177.98 1hqq n GLU 101 N -4.50 3.29 -1.67 0.00 0.28 -1.26 -5.08 120.64 111.70 1hqq n GLU 101 Ca 0.13 -4.80 -0.38 0.00 -0.16 0.00 0.00 57.16 51.96 1hqq n GLU 101 Cb 0.35 -2.27 0.05 0.00 1.43 0.00 0.00 31.44 31.00 1hqq n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hqq n ALA 102 N 0.09 0.72 -3.16 -1.84 0.00 -0.98 -4.97 120.51 110.37 1hqq n ALA 102 Ca 0.32 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1hqq n ALA 102 Cb 0.38 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 1hqq n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hqq s ARG 103 N -2.84 1.03 -0.23 0.00 0.52 -0.42 -4.20 118.95 112.81 1hqq s ARG 103 Ca 0.75 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 55.52 1hqq s ARG 103 Cb -0.42 0.46 0.05 0.00 0.52 0.00 0.00 34.95 35.56 1hqq s ARG 103 CO 0.47 -0.38 -0.11 0.42 0.02 0.00 0.00 175.30 175.72 1hqq s ILE 104 N -3.02 1.91 -0.23 1.52 1.01 -0.58 -0.07 121.20 121.74 1hqq s ILE 104 Ca -0.02 -1.31 -0.14 0.00 0.00 0.00 0.00 60.65 59.18 1hqq s ILE 104 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1hqq s ILE 104 CO -0.06 0.09 0.32 0.20 0.00 0.00 0.00 174.94 175.48 1hqq s ASN 105 N 1.25 6.30 0.20 3.58 0.02 -0.67 -0.94 114.94 124.68 1hqq s ASN 105 Ca -0.05 0.34 0.01 0.00 -1.02 0.00 0.00 52.86 52.14 1hqq s ASN 105 Cb -0.18 -2.19 -0.05 0.00 0.02 0.00 0.00 41.25 38.86 1hqq s ASN 105 CO -0.07 -0.06 0.07 0.42 0.02 0.00 0.00 177.10 177.48 1hqq s THR 106 N 1.42 0.40 0.01 1.60 -4.23 -0.23 -1.67 115.64 112.94 1hqq s THR 106 Ca 0.15 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1hqq s THR 106 Cb -0.15 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1hqq s THR 106 CO 0.08 -0.19 -0.10 -1.10 -0.54 0.00 0.00 174.62 172.76 1hqq s GLN 107 N -4.03 0.75 0.17 3.99 -0.21 -0.48 -2.17 119.66 117.67 1hqq s GLN 107 Ca 0.32 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 55.29 1hqq s GLN 107 Cb 0.07 -0.71 -0.05 0.00 1.00 0.00 0.00 33.01 33.33 1hqq s GLN 107 CO 0.09 0.19 -0.08 1.67 -2.12 0.00 0.00 175.29 175.04 1hqq s TRP 108 N -0.47 1.36 -0.11 0.91 1.48 0.34 -1.03 118.94 121.41 1hqq s TRP 108 Ca 0.02 -0.80 -0.00 0.00 -1.06 0.00 0.00 56.10 54.26 1hqq s TRP 108 Cb -0.05 -0.72 0.02 0.00 -1.16 0.00 0.00 33.47 31.56 1hqq s TRP 108 CO 0.00 0.06 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.35 1hqq s LEU 109 N -3.21 1.32 -0.32 -4.66 1.43 -0.48 -1.81 118.68 110.96 1hqq s LEU 109 Ca 0.20 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1hqq s LEU 109 Cb 0.03 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.38 1hqq s LEU 109 CO 0.03 -0.09 0.08 -0.22 0.23 0.00 0.00 176.35 176.38 1hqq s LEU 110 N 1.56 4.13 -0.15 1.79 2.96 0.08 -1.54 118.68 127.50 1hqq s LEU 110 Ca 0.03 -1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 52.84 1hqq s LEU 110 Cb -0.13 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1hqq s LEU 110 CO -0.07 -0.28 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.76 1hqq s THR 111 N 1.40 4.02 0.06 3.68 2.01 -0.28 -0.60 115.64 125.93 1hqq s THR 111 Ca -0.01 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1hqq s THR 111 Cb -0.19 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1hqq s THR 111 CO 0.02 0.50 0.11 -0.44 -0.69 0.00 0.00 174.62 174.12 1hqq s SER 112 N 0.24 5.73 -0.01 3.53 0.01 -0.23 -1.25 113.70 121.72 1hqq s SER 112 Ca -0.02 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 1hqq s SER 112 Cb -0.14 -1.61 -0.05 0.00 0.21 0.00 0.00 66.02 64.43 1hqq s SER 112 CO 0.03 0.20 1.31 -0.83 0.41 0.00 0.00 173.24 174.35 1hqq s GLY 113 N -2.26 1.98 0.27 3.44 0.00 -0.48 -4.87 107.32 105.40 1hqq s GLY 113 Ca 0.29 0.79 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1hqq s GLY 113 CO 0.21 2.37 0.11 -0.51 0.00 0.00 0.00 173.10 175.28 1hqq s THR 114 N 2.22 0.52 0.78 0.90 -4.23 -1.26 -5.01 115.64 109.55 1hqq s THR 114 Ca 0.60 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1hqq s THR 114 Cb -0.29 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.01 1hqq s THR 114 CO 0.25 0.00 1.14 0.42 -0.54 0.00 0.00 174.62 175.89 1hqq s THR 115 N -3.73 2.12 0.21 3.99 -4.23 -1.26 -4.86 115.64 107.87 1hqq s THR 115 Ca 0.37 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1hqq s THR 115 Cb 0.07 -3.02 0.14 0.00 1.34 0.00 0.00 72.50 71.03 1hqq s THR 115 CO 0.14 -0.02 1.76 -0.33 -0.54 0.00 0.00 174.62 175.64 1hqq h GLU 116 N -0.93 0.47 0.00 3.99 4.39 -2.01 -2.15 114.58 118.34 1hqq h GLU 116 Ca -0.46 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 1hqq h GLU 116 Cb 1.32 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1hqq h GLU 116 CO 0.65 0.31 -0.14 0.00 -1.16 0.00 0.00 179.01 178.67 1hqq h ALA 117 N 1.39 1.38 -0.32 3.43 0.00 -2.07 -2.85 119.26 120.22 1hqq h ALA 117 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hqq h ALA 117 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hqq h ALA 117 CO -0.26 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.26 1hqq n ASN 118 N -3.81 3.15 0.12 0.00 3.02 -0.86 -4.56 115.26 112.31 1hqq n ASN 118 Ca -0.02 -1.91 0.12 0.00 -0.03 0.00 0.00 54.58 52.74 1hqq n ASN 118 Cb 0.24 -0.21 0.63 0.00 -0.61 0.00 0.00 39.78 39.83 1hqq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqq h ALA 119 N 3.73 2.15 0.00 5.41 0.00 -1.17 -2.09 119.26 127.29 1hqq h ALA 119 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hqq h ALA 119 Cb 0.87 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hqq h ALA 119 CO 0.00 -0.21 -0.10 0.11 0.00 0.00 0.00 179.25 179.05 1hqq h TRP 120 N 0.08 0.00 -0.53 0.00 5.08 -1.81 -2.65 115.95 116.12 1hqq h TRP 120 Ca 0.12 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.75 1hqq h TRP 120 Cb 0.39 0.00 -0.22 0.00 -3.00 0.00 0.00 29.16 26.32 1hqq h TRP 120 CO -0.00 0.10 -0.23 0.36 -1.28 0.00 0.00 178.44 177.39 1hqq n LYS 121 N -4.01 2.48 0.10 0.12 2.85 -0.79 -4.70 118.16 114.22 1hqq n LYS 121 Ca -0.02 -3.53 0.12 0.00 -1.05 0.00 0.00 58.31 53.82 1hqq n LYS 121 Cb 0.19 -2.01 0.14 0.00 -0.65 0.00 0.00 35.03 32.71 1hqq n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1hqq h SER 122 N 1.50 0.00 -3.22 -5.58 4.64 -1.48 -3.46 113.55 105.96 1hqq h SER 122 Ca 0.30 -0.10 -0.64 0.00 -0.47 0.00 0.00 61.79 60.88 1hqq h SER 122 Cb 1.45 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.20 1hqq h SER 122 CO 0.63 0.05 -0.86 -0.89 -0.87 0.00 0.00 176.83 174.89 1hqq s THR 123 N -3.22 1.85 0.04 2.95 2.01 -1.26 -1.06 115.64 116.94 1hqq s THR 123 Ca 0.05 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1hqq s THR 123 Cb 0.11 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1hqq s THR 123 CO 0.72 0.51 0.18 -0.76 -0.69 0.00 0.00 174.62 174.58 1hqq s LEU 124 N 0.91 4.30 0.03 4.42 1.43 0.23 -4.92 118.68 125.07 1hqq s LEU 124 Ca -0.06 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1hqq s LEU 124 Cb -0.15 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1hqq s LEU 124 CO -0.02 0.21 -0.18 0.54 0.23 0.00 0.00 176.35 177.13 1hqq s VAL 125 N -1.42 1.40 0.00 -1.59 0.11 -1.26 -0.74 120.40 116.90 1hqq s VAL 125 Ca 0.31 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1hqq s VAL 125 Cb -0.13 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 1hqq s VAL 125 CO 0.24 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 1hqq n GLY 126 N 2.11 2.07 3.17 6.54 0.00 -0.75 -4.99 105.19 113.34 1hqq n GLY 126 Ca -0.17 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1hqq n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hqq s HIS 127 N -7.24 -0.25 0.02 1.61 -3.43 -1.26 -0.51 115.29 104.23 1hqq s HIS 127 Ca 0.00 0.57 0.03 0.00 -0.80 0.00 0.00 55.06 54.87 1hqq s HIS 127 Cb 0.00 0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.22 1hqq s HIS 127 CO 0.00 -0.20 -0.10 -0.51 -2.00 0.00 0.00 174.74 171.93 1hqq s ASP 128 N -0.23 1.19 -0.16 7.38 1.01 -0.92 -4.97 116.67 119.97 1hqq s ASP 128 Ca -0.04 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.91 1hqq s ASP 128 Cb -0.03 -0.08 0.01 0.00 1.01 0.00 0.00 42.92 43.83 1hqq s ASP 128 CO 0.01 0.02 -0.19 -0.89 0.21 0.00 0.00 175.17 174.33 1hqq s THR 129 N -0.64 2.22 -0.10 -1.27 2.01 -1.26 -1.07 115.64 115.53 1hqq s THR 129 Ca 0.00 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1hqq s THR 129 Cb -0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1hqq s THR 129 CO 0.00 0.53 0.04 -0.36 -0.69 0.00 0.00 174.62 174.15 1hqq s PHE 130 N 1.02 3.27 0.24 4.92 0.40 -0.11 -3.97 117.98 123.75 1hqq s PHE 130 Ca -0.02 0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.62 1hqq s PHE 130 Cb -0.14 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 1hqq s PHE 130 CO -0.06 0.51 -0.04 0.95 0.70 0.00 0.00 175.22 177.29 1hqq s THR 131 N -0.84 1.29 -0.90 0.64 -4.23 0.12 -1.53 115.64 110.20 1hqq s THR 131 Ca 0.13 -2.07 0.27 0.00 -1.18 0.00 0.00 61.69 58.84 1hqq s THR 131 Cb -0.12 -2.33 0.19 0.00 1.34 0.00 0.00 72.50 71.58 1hqq s THR 131 CO 0.03 -0.36 1.73 0.29 -0.54 0.00 0.00 174.62 175.77 1hqq n LYS 132 N -0.46 0.09 -4.63 3.99 5.02 -1.26 -0.93 118.16 119.98 1hqq n LYS 132 Ca -0.06 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1hqq n LYS 132 Cb 0.63 -1.59 -0.13 0.00 -0.02 0.00 0.00 35.03 33.92 1hqq n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqq s VAL 133 N -3.04 2.70 -2.00 -0.18 1.01 -1.26 -4.86 120.40 112.76 1hqq s VAL 133 Ca 0.12 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1hqq s VAL 133 Cb 0.17 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 34.49 1hqq s VAL 133 CO 0.60 0.30 0.67 0.29 0.00 0.00 0.00 175.10 176.96