#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 0.94 -2.99 -0.61 2.04 -1.97 -3.47 117.51 111.45 1hqq h ILE 17 Ca 0.00 -2.65 -0.54 0.00 1.00 0.00 0.00 64.86 62.67 1hqq h ILE 17 Cb 0.00 2.62 0.08 0.00 -0.74 0.00 0.00 36.82 38.78 1hqq h ILE 17 CO 0.00 0.77 0.86 0.41 0.00 0.00 0.00 178.15 180.19 1hqq n THR 18 N -3.38 0.74 0.00 -0.27 -1.04 -1.26 -4.81 114.28 104.26 1hqq n THR 18 Ca -0.21 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1hqq n THR 18 Cb 1.05 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 2.60 0.94 3.74 3.41 0.00 -0.25 -5.00 105.19 110.63 1hqq n GLY 19 Ca 0.11 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.18 5.41 0.14 2.61 2.01 -1.26 -1.50 115.64 120.87 1hqq s THR 20 Ca 0.00 0.21 0.09 0.00 0.31 0.00 0.00 61.69 62.30 1hqq s THR 20 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1hqq s THR 20 CO 0.00 0.45 -0.21 0.26 -0.69 0.00 0.00 174.62 174.43 1hqq s TRP 21 N 0.24 1.95 -0.01 4.92 0.52 0.16 -4.64 118.94 122.08 1hqq s TRP 21 Ca 0.09 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.83 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 0.31 -0.14 0.71 0.02 0.00 0.00 176.95 177.84 1hqq s TYR 22 N -1.51 1.26 0.37 -1.98 2.02 -0.12 -0.26 117.35 117.12 1hqq s TYR 22 Ca 0.13 -0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 1hqq s TYR 22 Cb -0.08 -0.81 0.04 0.00 -0.40 0.00 0.00 41.96 40.71 1hqq s TYR 22 CO 0.06 -0.02 0.37 0.27 -1.57 0.00 0.00 175.55 174.65 1hqq n ASN 23 N 2.75 1.85 0.16 2.29 6.94 -1.07 -0.68 115.26 127.49 1hqq n ASN 23 Ca -0.14 -2.14 0.04 0.00 -0.02 0.00 0.00 54.58 52.31 1hqq n ASN 23 Cb 0.55 -0.12 0.08 0.00 -2.36 0.00 0.00 39.78 37.93 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 -0.19 -3.83 4.20 -1.91 -3.33 115.11 110.05 1hqq h GLN 24 Ca -0.21 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.36 1hqq h GLN 24 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1hqq h GLN 24 CO 0.32 0.42 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.35 1hqq h LEU 25 N 0.00 0.54 0.00 1.46 3.38 -1.96 -3.47 115.31 115.27 1hqq h LEU 25 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1hqq h LEU 25 Cb 1.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1hqq h LEU 25 CO 0.05 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1hqq n GLY 26 N 0.10 1.49 3.53 0.83 0.00 -1.25 -5.09 105.19 104.81 1hqq n GLY 26 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.76 4.11 -0.11 1.61 0.01 -1.26 -2.32 113.70 113.98 1hqq s SER 27 Ca 0.00 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.76 1hqq s SER 27 Cb 0.00 -0.67 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 1hqq s SER 27 CO 0.00 0.16 -0.17 -0.89 0.41 0.00 0.00 173.24 172.76 1hqq s THR 28 N -1.28 2.75 -0.29 1.44 2.01 0.49 -2.60 115.64 118.15 1hqq s THR 28 Ca 0.20 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 1hqq s THR 28 Cb -0.10 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.34 1hqq s THR 28 CO 0.12 0.54 -0.02 0.12 -0.69 0.00 0.00 174.62 174.70 1hqq s PHE 29 N 0.16 3.21 -0.28 4.92 5.36 0.65 -0.78 117.98 131.21 1hqq s PHE 29 Ca -0.09 -1.78 -0.07 0.00 -0.96 0.00 0.00 56.93 54.03 1hqq s PHE 29 Cb -0.15 -2.09 -0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1hqq s PHE 29 CO 0.06 -0.78 0.08 0.42 -1.46 0.00 0.00 175.22 173.54 1hqq s ILE 30 N 1.27 4.14 0.08 3.12 1.01 -0.27 0.37 121.20 130.92 1hqq s ILE 30 Ca -0.04 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1hqq s ILE 30 Cb -0.19 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1hqq s ILE 30 CO -0.02 0.16 -0.07 0.54 0.00 0.00 0.00 174.94 175.56 1hqq s VAL 31 N 1.55 0.63 -0.09 2.92 0.11 -0.56 -0.75 120.40 124.21 1hqq s VAL 31 Ca 0.04 -1.70 0.01 0.00 -2.93 0.00 0.00 61.98 57.40 1hqq s VAL 31 Cb -0.16 -1.39 0.02 0.00 -1.53 0.00 0.00 36.38 33.32 1hqq s VAL 31 CO 0.03 -0.75 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.07 1hqq s THR 32 N -3.03 1.07 -0.37 5.04 2.01 0.16 -1.09 115.64 119.43 1hqq s THR 32 Ca 0.06 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 1hqq s THR 32 Cb 0.01 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1hqq s THR 32 CO -0.04 0.36 0.40 0.00 -0.69 0.00 0.00 174.62 174.65 1hqq s ALA 33 N 1.26 3.47 0.64 7.40 0.00 -1.26 -2.16 121.76 131.11 1hqq s ALA 33 Ca -0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1hqq s ALA 33 Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1hqq s ALA 33 CO -0.03 -1.28 1.04 0.20 0.00 0.00 0.00 175.76 175.68 1hqq s GLY 34 N 1.76 1.66 0.52 0.00 0.00 0.81 -4.90 107.32 107.18 1hqq s GLY 34 Ca 0.12 -0.05 0.27 0.00 0.00 0.00 0.00 44.72 45.06 1hqq s GLY 34 CO 0.12 0.23 2.06 0.00 0.00 0.00 0.00 173.10 175.51 1hqq h ALA 35 N -0.41 1.29 -0.05 3.20 0.00 -1.98 -2.45 119.26 118.87 1hqq h ALA 35 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1hqq h ALA 35 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1hqq h ALA 35 CO 0.61 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1hqq n ASP 36 N -3.65 0.61 0.00 0.00 3.85 -1.26 -4.88 116.55 111.22 1hqq n ASP 36 Ca -0.02 -1.45 0.00 0.00 -0.71 0.00 0.00 54.79 52.61 1hqq n ASP 36 Cb 0.24 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 1hqq n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hqq n GLY 37 N 0.95 0.82 3.85 6.12 0.00 -0.92 -4.97 105.19 111.03 1hqq n GLY 37 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.09 3.55 -0.11 4.61 0.00 -1.25 -0.99 121.76 125.47 1hqq s ALA 38 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1hqq s ALA 38 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1hqq s ALA 38 CO 0.00 0.45 -0.20 -0.51 0.00 0.00 0.00 175.76 175.50 1hqq s LEU 39 N -2.26 1.97 0.02 0.00 1.43 -0.21 -0.13 118.68 119.50 1hqq s LEU 39 Ca 0.42 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1hqq s LEU 39 Cb -0.14 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1hqq s LEU 39 CO 0.20 0.09 -0.04 0.42 0.23 0.00 0.00 176.35 177.24 1hqq s THR 40 N 0.69 0.26 -2.81 5.49 -4.23 -0.92 -0.72 115.64 113.40 1hqq s THR 40 Ca -0.11 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1hqq s THR 40 Cb -0.16 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.34 1hqq s THR 40 CO 0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1hqq n GLY 41 N 1.95 -0.58 2.98 3.99 0.00 -0.97 -0.66 105.19 111.90 1hqq n GLY 41 Ca -0.20 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.50 0.22 -0.15 2.61 -4.23 0.07 -1.94 115.64 108.72 1hqq s THR 42 Ca 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1hqq s THR 42 Cb 0.00 -0.32 -0.00 0.00 1.34 0.00 0.00 72.50 73.52 1hqq s THR 42 CO 0.00 -0.36 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.10 1hqq s TYR 43 N -1.13 2.78 0.26 3.99 6.14 0.49 -1.12 117.35 128.76 1hqq s TYR 43 Ca -0.11 -0.97 -0.01 0.00 0.64 0.00 0.00 57.07 56.61 1hqq s TYR 43 Cb -0.08 -1.88 -0.03 0.00 0.42 0.00 0.00 41.96 40.40 1hqq s TYR 43 CO -0.00 -0.43 0.28 -1.83 0.64 0.00 0.00 175.55 174.20 1hqq s GLU 44 N 0.73 1.50 0.89 4.97 -1.05 0.04 -0.68 118.70 125.10 1hqq s GLU 44 Ca -0.07 -1.67 -0.13 0.00 -0.15 0.00 0.00 54.97 52.95 1hqq s GLU 44 Cb -0.15 0.34 0.13 0.00 -0.44 0.00 0.00 34.13 34.01 1hqq s GLU 44 CO 0.01 -0.56 1.18 -1.54 0.95 0.00 0.00 175.26 175.31 1hqq s SER 45 N -3.20 3.76 0.37 0.83 1.04 -1.24 -0.38 113.70 114.88 1hqq s SER 45 Ca 0.35 0.76 0.06 0.00 0.48 0.00 0.00 55.95 57.60 1hqq s SER 45 Cb 0.03 -1.20 0.76 0.00 0.10 0.00 0.00 66.02 65.71 1hqq s SER 45 CO 0.16 -2.38 1.98 0.00 0.98 0.00 0.00 173.24 173.99 1hqq h ALA 46 N -1.38 1.70 -0.01 5.32 0.00 -1.81 -2.13 119.26 120.95 1hqq h ALA 46 Ca -0.47 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1hqq h ALA 46 Cb 1.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1hqq h ALA 46 CO 0.59 0.21 -0.74 0.28 0.00 0.00 0.00 179.25 179.58 1hqq h VAL 47 N 0.73 1.49 0.00 0.00 2.07 -1.92 -3.48 116.25 115.14 1hqq h VAL 47 Ca 0.28 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1hqq h VAL 47 Cb 0.19 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1hqq h VAL 47 CO -0.09 0.70 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1hqq n GLY 48 N 0.59 0.47 3.72 2.17 0.00 -0.80 -5.02 105.19 106.31 1hqq n GLY 48 Ca -0.02 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 0.65 2.03 -0.29 1.61 2.04 -1.26 -4.88 115.26 115.15 1hqq n ASN 49 Ca 0.00 0.86 0.10 0.00 -0.44 0.00 0.00 54.58 55.10 1hqq n ASN 49 Cb 0.00 -1.54 0.33 0.00 -2.53 0.00 0.00 39.78 36.04 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 0.72 1.72 0.00 -2.53 0.00 -1.96 -1.88 119.26 115.32 1hqq h ALA 50 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1hqq h ALA 50 Cb 1.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1hqq h ALA 50 CO 0.54 0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.77 1hqq h GLU 51 N 0.80 0.00 -0.43 0.00 3.07 -2.01 -2.84 114.58 113.18 1hqq h GLU 51 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1hqq h GLU 51 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1hqq h GLU 51 CO -0.21 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.27 1hqq n SER 52 N -2.99 3.74 -4.71 1.42 3.41 -0.71 -4.71 113.62 109.07 1hqq n SER 52 Ca -0.00 -2.38 -0.36 0.00 -0.26 0.00 0.00 58.87 55.86 1hqq n SER 52 Cb 0.24 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.70 4.18 0.04 4.33 3.52 -1.07 -3.60 118.95 124.65 1hqq s ARG 53 Ca 0.37 -0.12 0.05 0.00 -0.13 0.00 0.00 55.73 55.91 1hqq s ARG 53 Cb 0.24 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 1hqq s ARG 53 CO 0.17 0.20 -0.15 0.71 -0.81 0.00 0.00 175.30 175.43 1hqq s TYR 54 N 0.63 1.30 0.32 5.12 1.51 0.15 -4.81 117.35 121.57 1hqq s TYR 54 Ca 0.11 -0.37 -0.28 0.00 -1.01 0.00 0.00 57.07 55.53 1hqq s TYR 54 Cb -0.12 -0.76 -0.09 0.00 -0.11 0.00 0.00 41.96 40.87 1hqq s TYR 54 CO 0.02 0.05 1.12 0.08 -1.11 0.00 0.00 175.55 175.70 1hqq s VAL 55 N -0.89 3.41 0.04 0.71 1.01 -1.26 -0.38 120.40 123.05 1hqq s VAL 55 Ca 0.02 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1hqq s VAL 55 Cb -0.08 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1hqq s VAL 55 CO 0.01 0.24 -0.12 -1.48 0.00 0.00 0.00 175.10 173.75 1hqq s LEU 56 N -1.86 2.17 -0.00 3.92 0.05 -0.82 -4.32 118.68 117.83 1hqq s LEU 56 Ca 0.49 -0.44 -0.04 0.00 0.05 0.00 0.00 54.13 54.20 1hqq s LEU 56 Cb -0.31 -0.48 -0.00 0.00 -2.05 0.00 0.00 46.19 43.35 1hqq s LEU 56 CO 0.39 -0.01 0.07 0.28 -0.55 0.00 0.00 176.35 176.53 1hqq s THR 57 N -0.88 0.07 0.00 5.48 -1.32 -1.03 -2.30 115.64 115.66 1hqq s THR 57 Ca -0.01 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1hqq s THR 57 Cb -0.08 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1hqq s THR 57 CO 0.01 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 1hqq n GLY 58 N 1.98 1.66 3.09 6.08 0.00 0.11 -0.83 105.19 117.27 1hqq n GLY 58 Ca -0.20 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.19 0.57 0.11 1.61 1.81 -0.49 -1.05 118.95 120.32 1hqq s ARG 59 Ca 0.00 -0.98 -0.10 0.00 -1.72 0.00 0.00 55.73 52.93 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 -0.12 0.24 1.52 -0.68 0.00 0.00 175.30 176.26 1hqq s TYR 60 N -3.17 0.12 -0.47 -0.53 1.13 -0.16 -1.58 117.35 112.68 1hqq s TYR 60 Ca -0.00 -0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 54.85 1hqq s TYR 60 Cb 0.02 0.00 0.02 0.00 -1.10 0.00 0.00 41.96 40.90 1hqq s TYR 60 CO -0.07 -0.60 1.36 0.34 -2.51 0.00 0.00 175.55 174.07 1hqq s ASP 61 N -2.87 6.32 0.00 -0.18 -1.08 -0.43 -4.62 116.67 113.82 1hqq s ASP 61 Ca 0.06 0.58 0.32 0.00 -0.52 0.00 0.00 52.55 52.99 1hqq s ASP 61 Cb 0.04 -2.54 1.82 0.00 -1.46 0.00 0.00 42.92 40.78 1hqq s ASP 61 CO -0.10 -1.49 2.18 -1.54 0.52 0.00 0.00 175.17 174.75 1hqq n SER 62 N 8.88 0.08 -3.07 -0.34 3.41 -1.26 -4.02 113.62 117.30 1hqq n SER 62 Ca 0.14 -0.94 -0.18 0.00 -0.26 0.00 0.00 58.87 57.64 1hqq n SER 62 Cb 0.49 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.97 1.37 -0.81 7.33 0.00 -1.26 -5.04 120.51 121.13 1hqq n ALA 63 Ca 0.23 -2.89 -0.29 0.00 0.00 0.00 0.00 53.44 50.48 1hqq n ALA 63 Cb 0.14 -0.97 0.19 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.18 0.32 0.79 0.00 0.04 -1.26 -4.99 135.00 128.72 1hqq s PRO 64 Ca 0.35 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1hqq s PRO 64 Cb 0.25 -1.68 0.07 0.00 0.04 0.00 0.00 34.50 33.18 1hqq s PRO 64 CO -0.11 -2.94 1.15 0.00 0.04 0.00 0.00 177.00 175.13 1hqq s ALA 65 N -2.67 1.99 -0.26 8.56 0.00 -1.26 -4.95 121.76 123.17 1hqq s ALA 65 Ca 0.66 0.62 0.12 0.00 0.00 0.00 0.00 51.96 53.36 1hqq s ALA 65 Cb -0.22 -3.40 0.59 0.00 0.00 0.00 0.00 23.12 20.09 1hqq s ALA 65 CO 0.60 -2.06 1.56 0.25 0.00 0.00 0.00 175.76 176.11 1hqq n THR 66 N -3.33 2.58 -0.56 0.00 -2.24 -1.26 -4.50 114.28 104.96 1hqq n THR 66 Ca 0.12 -2.05 0.09 0.00 -2.27 0.00 0.00 64.05 59.93 1hqq n THR 66 Cb 0.52 -0.31 0.36 0.00 -2.10 0.00 0.00 70.33 68.79 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 4.72 0.00 3.42 5.68 -1.26 -4.89 116.55 123.62 1hqq n ASP 67 Ca 0.31 -2.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 1hqq n ASP 67 Cb 1.10 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 1.14 0.72 3.81 6.12 0.00 -1.26 -5.07 105.19 110.66 1hqq n GLY 68 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.64 5.40 1.06 1.61 0.01 -1.26 -5.05 113.70 112.82 1hqq s SER 69 Ca 0.00 1.66 -0.17 0.00 1.31 0.00 0.00 55.95 58.75 1hqq s SER 69 Cb 0.00 -2.50 0.23 0.00 0.21 0.00 0.00 66.02 63.96 1hqq s SER 69 CO 0.00 -1.43 1.24 -0.83 0.41 0.00 0.00 173.24 172.63 1hqq s GLY 70 N -3.62 1.70 -0.31 3.44 0.00 -1.26 -4.82 107.32 102.46 1hqq s GLY 70 Ca 0.59 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 1hqq s GLY 70 CO 0.52 -0.29 0.09 -1.59 0.00 0.00 0.00 173.10 171.83 1hqq s THR 71 N -3.55 4.00 0.32 0.90 2.01 -0.46 -4.73 115.64 114.13 1hqq s THR 71 Ca 0.73 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1hqq s THR 71 Cb -0.06 -3.10 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 1hqq s THR 71 CO 0.54 0.03 1.29 0.00 -0.69 0.00 0.00 174.62 175.78 1hqq s ALA 72 N 1.49 3.49 0.30 7.40 0.00 -1.26 -0.84 121.76 132.34 1hqq s ALA 72 Ca 0.02 1.22 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 1hqq s ALA 72 Cb -0.18 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1hqq s ALA 72 CO 0.03 -0.59 0.71 -0.48 0.00 0.00 0.00 175.76 175.43 1hqq s LEU 73 N -1.68 -0.17 -0.08 0.00 0.05 -0.45 -1.31 118.68 115.04 1hqq s LEU 73 Ca 0.49 -0.72 -0.30 0.00 0.05 0.00 0.00 54.13 53.65 1hqq s LEU 73 Cb -0.39 2.68 0.11 0.00 -2.05 0.00 0.00 46.19 46.54 1hqq s LEU 73 CO 0.51 -1.39 0.92 -0.83 -0.55 0.00 0.00 176.35 175.01 1hqq s GLY 74 N -2.95 -0.39 0.20 -3.48 0.00 -0.62 -1.85 107.32 98.24 1hqq s GLY 74 Ca 0.13 1.47 -0.14 0.00 0.00 0.00 0.00 44.72 46.17 1hqq s GLY 74 CO 0.08 0.67 0.45 0.66 0.00 0.00 0.00 173.10 174.96 1hqq s TRP 75 N -2.14 0.13 0.05 1.90 -2.14 -0.64 -1.39 118.94 114.71 1hqq s TRP 75 Ca 0.01 -0.49 0.05 0.00 2.66 0.00 0.00 56.10 58.33 1hqq s TRP 75 Cb -0.01 0.23 -0.02 0.00 -3.10 0.00 0.00 33.47 30.57 1hqq s TRP 75 CO -0.03 -0.89 -0.14 0.99 -2.66 0.00 0.00 176.95 174.23 1hqq s THR 76 N -3.93 1.06 -0.06 0.66 2.01 -0.01 -1.37 115.64 114.00 1hqq s THR 76 Ca 0.14 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 1hqq s THR 76 Cb 0.00 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.55 1hqq s THR 76 CO 0.01 -0.08 0.01 -0.69 -0.69 0.00 0.00 174.62 173.18 1hqq s VAL 77 N -0.99 0.25 -0.17 3.82 1.01 -0.36 -2.45 120.40 121.51 1hqq s VAL 77 Ca -0.00 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1hqq s VAL 77 Cb -0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1hqq s VAL 77 CO 0.01 0.23 0.41 0.00 0.00 0.00 0.00 175.10 175.75 1hqq s ALA 78 N 1.91 3.54 -0.91 5.51 0.00 -1.26 -1.02 121.76 129.52 1hqq s ALA 78 Ca 0.03 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 1hqq s ALA 78 Cb -0.12 -2.60 -0.13 0.00 0.00 0.00 0.00 23.12 20.27 1hqq s ALA 78 CO -0.04 -0.13 2.89 0.91 0.00 0.00 0.00 175.76 179.39 1hqq n TRP 79 N 4.04 1.36 -3.84 0.00 7.02 0.10 -4.77 117.44 121.34 1hqq n TRP 79 Ca -0.08 -2.24 -0.14 0.00 -1.02 0.00 0.00 57.50 54.01 1hqq n TRP 79 Cb 0.51 -1.96 -0.15 0.00 -2.42 0.00 0.00 31.31 27.29 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 2.09 0.03 0.00 -0.99 2.20 -1.26 -0.70 119.74 121.11 1hqq s LYS 80 Ca 0.60 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1hqq s LYS 80 Cb 0.20 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1hqq s LYS 80 CO -0.03 -0.09 0.00 0.27 -0.36 0.00 0.00 175.35 175.14 1hqq n ASN 81 N 3.69 0.34 0.00 1.43 0.23 -0.25 -4.76 115.26 115.94 1hqq n ASN 81 Ca -0.21 -0.44 0.13 0.00 -0.53 0.00 0.00 54.58 53.54 1hqq n ASN 81 Cb 0.54 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.95 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 -1.16 0.00 -0.03 0.53 3.02 -1.26 -3.86 115.26 112.49 1hqq n ASN 82 Ca 0.00 -0.22 -0.04 0.00 -0.03 0.00 0.00 54.58 54.29 1hqq n ASN 82 Cb 0.00 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.24 0.00 -4.10 3.10 4.02 -1.26 -5.09 117.16 112.59 1hqq n TYR 83 Ca 0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.95 1hqq n TYR 83 Cb 0.20 -0.32 -0.10 0.00 -0.02 0.00 0.00 39.34 39.10 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 -2.16 0.78 -0.20 -0.72 0.52 -1.25 -5.14 118.95 110.78 1hqq s ARG 84 Ca -0.05 -1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 53.80 1hqq s ARG 84 Cb 0.02 0.23 0.10 0.00 0.52 0.00 0.00 34.95 35.83 1hqq s ARG 84 CO 0.25 -0.19 0.35 1.21 0.02 0.00 0.00 175.30 176.93 1hqq s ASN 85 N -2.98 0.23 -0.00 0.23 3.84 -1.26 -1.09 114.94 113.91 1hqq s ASN 85 Ca 0.15 0.50 0.21 0.00 0.21 0.00 0.00 52.86 53.93 1hqq s ASN 85 Cb 0.07 1.02 0.61 0.00 -0.55 0.00 0.00 41.25 42.40 1hqq s ASN 85 CO -0.04 -0.27 1.51 0.00 -2.79 0.00 0.00 177.10 175.51 1hqq n ALA 86 N 5.36 2.42 -4.09 1.71 0.00 0.12 -4.97 120.51 121.07 1hqq n ALA 86 Ca -0.06 -1.22 -0.37 0.00 0.00 0.00 0.00 53.44 51.79 1hqq n ALA 86 Cb 0.50 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 1.50 -1.45 -3.70 0.00 8.25 -1.26 -4.86 115.22 113.70 1hqq n HIS 87 Ca 0.23 0.39 -0.08 0.00 -0.26 0.00 0.00 57.72 58.00 1hqq n HIS 87 Cb 0.59 -3.02 -0.02 0.00 1.12 0.00 0.00 29.99 28.67 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 -3.92 -0.33 -0.07 0.41 1.04 -1.26 -1.14 113.70 108.43 1hqq s SER 88 Ca 0.26 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 1hqq s SER 88 Cb -0.13 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1hqq s SER 88 CO 0.96 -1.10 0.29 0.00 0.98 0.00 0.00 173.24 174.37 1hqq s ALA 89 N -3.68 -0.73 0.00 5.32 0.00 -0.42 -0.72 121.76 121.52 1hqq s ALA 89 Ca 0.08 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1hqq s ALA 89 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1hqq s ALA 89 CO -0.00 -0.20 -0.23 0.99 0.00 0.00 0.00 175.76 176.32 1hqq s THR 90 N -0.56 1.87 -0.05 0.00 2.01 -0.19 -1.01 115.64 117.70 1hqq s THR 90 Ca -0.07 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 60.88 1hqq s THR 90 Cb -0.04 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 1hqq s THR 90 CO 0.02 0.45 -0.19 0.42 -0.69 0.00 0.00 174.62 174.63 1hqq s THR 91 N -0.63 1.60 -0.13 -0.82 -4.23 -0.57 -1.22 115.64 109.64 1hqq s THR 91 Ca 0.09 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1hqq s THR 91 Cb -0.09 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 1hqq s THR 91 CO 0.00 0.46 -0.08 0.26 -0.54 0.00 0.00 174.62 174.72 1hqq s TRP 92 N 0.06 2.92 -0.07 3.99 0.51 -0.47 -1.20 118.94 124.69 1hqq s TRP 92 Ca -0.06 -0.38 0.03 0.00 -2.12 0.00 0.00 56.10 53.57 1hqq s TRP 92 Cb -0.13 -1.87 0.01 0.00 -0.81 0.00 0.00 33.47 30.67 1hqq s TRP 92 CO 0.03 -0.05 -0.15 0.45 -0.51 0.00 0.00 176.95 176.73 1hqq s SER 93 N 0.17 2.08 0.00 2.95 0.15 -0.11 -1.62 113.70 117.33 1hqq s SER 93 Ca -0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1hqq s SER 93 Cb -0.14 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 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 3.77 1.16 3.14 9.45 0.00 -0.77 -1.40 105.19 120.54 1hqq n GLY 94 Ca -0.22 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 1.76 0.52 -0.12 1.61 -2.07 -0.67 -1.34 119.66 119.35 1hqq s GLN 95 Ca 0.00 -0.32 -0.16 0.00 -1.82 0.00 0.00 55.36 53.05 1hqq s GLN 95 Cb 0.00 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1hqq s GLN 95 CO 0.00 -0.13 0.40 -0.47 -1.32 0.00 0.00 175.29 173.77 1hqq s TYR 96 N -1.31 3.51 -0.22 9.60 5.04 -0.02 -1.55 117.35 132.40 1hqq s TYR 96 Ca -0.14 0.79 0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1hqq s TYR 96 Cb -0.07 -2.45 0.03 0.00 0.35 0.00 0.00 41.96 39.82 1hqq s TYR 96 CO 0.02 0.24 -0.14 0.08 -1.34 0.00 0.00 175.55 174.42 1hqq s VAL 97 N 0.40 2.34 1.02 3.14 1.01 0.78 -1.35 120.40 127.74 1hqq s VAL 97 Ca 0.22 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1hqq s VAL 97 Cb -0.14 -2.14 0.22 0.00 0.00 0.00 0.00 36.38 34.31 1hqq s VAL 97 CO 0.08 0.30 1.26 -0.83 0.00 0.00 0.00 175.10 175.92 1hqq s GLY 98 N 1.26 1.72 0.00 4.51 0.00 -1.26 -1.36 107.32 112.19 1hqq s GLY 98 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1hqq s GLY 98 CO -0.08 -0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.30 1hqq n GLY 99 N -3.04 1.63 0.32 0.20 0.00 -1.26 -4.54 105.19 98.49 1hqq n GLY 99 Ca 0.14 -2.17 0.18 0.00 0.00 0.00 0.00 46.02 44.17 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 1.41 -1.75 4.61 0.00 -2.07 -1.80 119.26 119.67 1hqq h ALA 100 Ca 0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1hqq h ALA 100 Cb 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 1hqq h ALA 100 CO 0.00 -0.06 -0.67 -0.85 0.00 0.00 0.00 179.25 177.67 1hqq n GLU 101 N -3.58 3.38 -1.64 0.00 0.28 -1.26 -5.08 120.64 112.73 1hqq n GLU 101 Ca -0.02 -4.61 -0.40 0.00 -0.16 0.00 0.00 57.16 51.97 1hqq n GLU 101 Cb 0.13 -2.25 0.03 0.00 1.43 0.00 0.00 31.44 30.78 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 -0.41 0.56 -3.30 -1.84 0.00 -0.68 -4.95 120.51 109.88 1hqq n ALA 102 Ca 0.37 0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.83 1hqq n ALA 102 Cb 0.57 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.36 1.06 -0.24 0.00 0.52 -0.46 -4.22 118.95 113.24 1hqq s ARG 103 Ca 0.67 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.63 1hqq s ARG 103 Cb -0.49 0.49 0.05 0.00 0.52 0.00 0.00 34.95 35.52 1hqq s ARG 103 CO 0.53 -0.39 -0.13 0.42 0.02 0.00 0.00 175.30 175.75 1hqq s ILE 104 N -2.63 2.16 -0.25 1.52 1.01 -0.60 -0.16 121.20 122.25 1hqq s ILE 104 Ca -0.04 -1.47 -0.14 0.00 0.00 0.00 0.00 60.65 58.99 1hqq s ILE 104 Cb -0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1hqq s ILE 104 CO -0.03 0.10 0.35 0.20 0.00 0.00 0.00 174.94 175.55 1hqq s ASN 105 N 1.15 6.28 0.22 3.58 0.02 -0.59 -1.09 114.94 124.50 1hqq s ASN 105 Ca -0.06 0.32 0.01 0.00 -1.02 0.00 0.00 52.86 52.11 1hqq s ASN 105 Cb -0.18 -2.20 -0.05 0.00 0.02 0.00 0.00 41.25 38.84 1hqq s ASN 105 CO -0.07 -0.12 0.07 0.42 0.02 0.00 0.00 177.10 177.42 1hqq s THR 106 N 1.72 0.53 0.01 1.60 -4.23 -0.15 -1.67 115.64 113.44 1hqq s THR 106 Ca 0.15 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1hqq s THR 106 Cb -0.15 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1hqq s THR 106 CO 0.09 -0.17 -0.10 -1.10 -0.54 0.00 0.00 174.62 172.80 1hqq s GLN 107 N -4.01 0.72 0.19 3.99 -0.21 -0.50 -2.10 119.66 117.75 1hqq s GLN 107 Ca 0.33 -0.44 0.05 0.00 0.02 0.00 0.00 55.36 55.32 1hqq s GLN 107 Cb 0.07 -0.68 -0.05 0.00 1.00 0.00 0.00 33.01 33.35 1hqq s GLN 107 CO 0.10 0.18 -0.07 1.67 -2.12 0.00 0.00 175.29 175.04 1hqq s TRP 108 N -0.45 1.47 -0.11 0.91 1.48 0.03 -0.93 118.94 121.35 1hqq s TRP 108 Ca 0.02 -0.78 -0.01 0.00 -1.06 0.00 0.00 56.10 54.27 1hqq s TRP 108 Cb -0.05 -0.78 0.03 0.00 -1.16 0.00 0.00 33.47 31.51 1hqq s TRP 108 CO 0.00 0.10 -0.07 -0.51 -4.06 0.00 0.00 176.95 172.41 1hqq s LEU 109 N -3.25 1.11 -0.32 -4.66 1.43 -0.34 -1.81 118.68 110.84 1hqq s LEU 109 Ca 0.22 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1hqq s LEU 109 Cb 0.03 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.48 1hqq s LEU 109 CO 0.05 -0.13 0.09 -0.22 0.23 0.00 0.00 176.35 176.37 1hqq s LEU 110 N 1.74 4.07 -0.15 1.79 2.96 -0.10 -1.51 118.68 127.49 1hqq s LEU 110 Ca 0.05 -0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 52.98 1hqq s LEU 110 Cb -0.12 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1hqq s LEU 110 CO -0.08 -0.26 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.76 1hqq s THR 111 N 1.44 3.86 0.04 3.68 2.01 -0.18 -0.56 115.64 125.94 1hqq s THR 111 Ca 0.00 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1hqq s THR 111 Cb -0.18 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 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 0.27 5.76 0.03 3.53 0.01 -0.22 -1.30 113.70 121.77 1hqq s SER 112 Ca -0.03 0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.03 1hqq s SER 112 Cb -0.14 -1.64 -0.06 0.00 0.21 0.00 0.00 66.02 64.39 1hqq s SER 112 CO 0.03 0.21 1.41 -0.83 0.41 0.00 0.00 173.24 174.47 1hqq s GLY 113 N -2.14 1.88 0.23 3.44 0.00 -0.29 -4.87 107.32 105.58 1hqq s GLY 113 Ca 0.28 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.95 1hqq s GLY 113 CO 0.20 2.49 0.08 -0.51 0.00 0.00 0.00 173.10 175.36 1hqq s THR 114 N 2.14 0.50 0.82 0.90 -4.23 -1.26 -5.01 115.64 109.49 1hqq s THR 114 Ca 0.64 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1hqq s THR 114 Cb -0.33 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.09 1hqq s THR 114 CO 0.28 -0.10 1.18 0.42 -0.54 0.00 0.00 174.62 175.86 1hqq s THR 115 N -3.80 2.02 0.20 3.99 -4.23 -1.26 -4.86 115.64 107.70 1hqq s THR 115 Ca 0.35 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1hqq s THR 115 Cb 0.07 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 71.04 1hqq s THR 115 CO 0.11 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.63 1hqq h GLU 116 N -1.08 0.46 0.00 3.99 4.39 -2.01 -2.36 114.58 117.97 1hqq h GLU 116 Ca -0.46 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1hqq h GLU 116 Cb 1.32 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1hqq h GLU 116 CO 0.63 0.31 -0.11 0.00 -1.16 0.00 0.00 179.01 178.67 1hqq h ALA 117 N 1.36 1.63 -0.43 3.43 0.00 -2.07 -2.73 119.26 120.46 1hqq h ALA 117 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1hqq h ALA 117 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1hqq h ALA 117 CO -0.24 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.23 1hqq n ASN 118 N -4.13 3.37 0.08 0.00 3.02 -0.93 -4.54 115.26 112.12 1hqq n ASN 118 Ca -0.02 -1.95 0.09 0.00 -0.03 0.00 0.00 54.58 52.66 1hqq n ASN 118 Cb 0.19 -0.28 0.55 0.00 -0.61 0.00 0.00 39.78 39.63 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 3.82 1.96 0.00 5.41 0.00 -1.11 -2.18 119.26 127.17 1hqq h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1hqq h ALA 119 Cb 0.90 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1hqq h ALA 119 CO 0.00 -0.01 -0.04 0.11 0.00 0.00 0.00 179.25 179.31 1hqq h TRP 120 N 0.26 0.00 -0.55 0.00 5.08 -1.81 -2.53 115.95 116.40 1hqq h TRP 120 Ca 0.13 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.72 1hqq h TRP 120 Cb 0.20 0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 26.09 1hqq h TRP 120 CO -0.00 0.04 -0.42 0.36 -1.28 0.00 0.00 178.44 177.14 1hqq n LYS 121 N -3.93 2.76 0.06 0.12 2.85 -0.82 -4.71 118.16 114.49 1hqq n LYS 121 Ca -0.03 -3.71 0.12 0.00 -1.05 0.00 0.00 58.31 53.64 1hqq n LYS 121 Cb 0.13 -2.06 0.20 0.00 -0.65 0.00 0.00 35.03 32.65 1hqq n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1hqq n SER 122 N -0.90 0.70 -4.08 -5.58 3.41 -0.95 -4.88 113.62 101.33 1hqq n SER 122 Ca 0.39 0.15 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 1hqq n SER 122 Cb 0.90 0.08 -0.17 0.00 -0.26 0.00 0.00 64.21 64.76 1hqq n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hqq s THR 123 N -3.15 1.64 0.05 6.66 2.01 -1.26 -1.06 115.64 120.53 1hqq s THR 123 Ca 0.07 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1hqq s THR 123 Cb 0.13 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1hqq s THR 123 CO 0.71 0.47 0.22 -0.76 -0.69 0.00 0.00 174.62 174.57 1hqq s LEU 124 N 1.00 4.36 0.02 4.42 1.43 0.28 -4.92 118.68 125.26 1hqq s LEU 124 Ca -0.05 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1hqq s LEU 124 Cb -0.15 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1hqq s LEU 124 CO -0.03 0.18 -0.17 0.54 0.23 0.00 0.00 176.35 177.10 1hqq s VAL 125 N -1.47 1.38 0.00 -1.59 0.11 -1.26 -0.92 120.40 116.64 1hqq s VAL 125 Ca 0.34 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1hqq s VAL 125 Cb -0.13 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1hqq s VAL 125 CO 0.25 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1hqq n GLY 126 N 2.26 2.36 3.22 6.54 0.00 -0.75 -4.99 105.19 113.84 1hqq n GLY 126 Ca -0.16 -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 -6.92 -0.33 0.03 1.61 -3.43 -1.26 -0.79 115.29 104.19 1hqq s HIS 127 Ca 0.00 0.79 0.03 0.00 -0.80 0.00 0.00 55.06 55.08 1hqq s HIS 127 Cb 0.00 0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.25 1hqq s HIS 127 CO 0.00 -0.21 -0.10 -0.51 -2.00 0.00 0.00 174.74 171.92 1hqq s ASP 128 N -0.07 1.21 -0.16 7.38 1.01 -0.89 -4.96 116.67 120.18 1hqq s ASP 128 Ca -0.02 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.87 1hqq s ASP 128 Cb -0.03 -0.07 0.02 0.00 1.01 0.00 0.00 42.92 43.85 1hqq s ASP 128 CO 0.01 -0.01 -0.18 -0.89 0.21 0.00 0.00 175.17 174.31 1hqq s THR 129 N -0.78 1.89 -0.10 -1.27 2.01 -1.26 -0.98 115.64 115.16 1hqq s THR 129 Ca -0.01 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 1hqq s THR 129 Cb -0.07 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1hqq s THR 129 CO 0.01 0.51 0.06 -0.36 -0.69 0.00 0.00 174.62 174.15 1hqq s PHE 130 N 1.25 3.35 0.24 4.92 0.40 -0.25 -3.97 117.98 123.92 1hqq s PHE 130 Ca 0.02 0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.74 1hqq s PHE 130 Cb -0.13 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 1hqq s PHE 130 CO -0.10 0.59 -0.03 0.95 0.70 0.00 0.00 175.22 177.33 1hqq s THR 131 N -0.96 1.25 -1.15 0.64 -4.23 0.14 -1.56 115.64 109.77 1hqq s THR 131 Ca 0.14 -2.07 0.28 0.00 -1.18 0.00 0.00 61.69 58.87 1hqq s THR 131 Cb -0.12 -2.34 0.26 0.00 1.34 0.00 0.00 72.50 71.64 1hqq s THR 131 CO 0.04 -0.35 1.83 0.29 -0.54 0.00 0.00 174.62 175.88 1hqq n LYS 132 N -0.46 0.16 -4.78 3.99 5.02 -1.26 -0.95 118.16 119.89 1hqq n LYS 132 Ca -0.06 -0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 1hqq n LYS 132 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.87 1.93 -2.00 -0.18 1.01 -1.26 -4.88 120.40 112.15 1hqq s VAL 133 Ca 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1hqq s VAL 133 Cb 0.19 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1hqq s VAL 133 CO 0.55 0.29 0.52 0.29 0.00 0.00 0.00 175.10 176.75