#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnq s ILE 21 N 0.00 5.19 -0.15 1.39 -1.09 -1.26 -4.98 121.20 120.30 3hnq s ILE 21 Ca 0.00 -0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 57.66 3hnq s ILE 21 Cb 0.00 -3.79 -0.25 0.00 -1.58 0.00 0.00 42.46 36.83 3hnq s ILE 21 CO 0.00 -0.17 0.68 0.44 -1.23 0.00 0.00 174.94 174.66 3hnq h ASP 22 N 8.55 0.04 -1.90 3.58 3.32 -2.11 -3.50 116.42 124.40 3hnq h ASP 22 Ca -0.29 -0.91 0.12 0.00 0.02 0.00 0.00 57.03 55.98 3hnq h ASP 22 Cb 1.13 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3hnq h ASP 22 CO 0.68 1.12 0.43 -2.11 -1.72 0.00 0.00 179.24 177.65 3hnq n ARG 23 N -4.53 0.42 -3.20 3.56 0.00 -1.26 -5.14 116.66 106.50 3hnq n ARG 23 Ca -0.14 -0.98 -0.39 0.00 -0.00 0.00 0.00 57.85 56.34 3hnq n ARG 23 Cb 0.55 1.34 -0.05 0.00 -0.00 0.00 0.00 32.46 34.29 3hnq n ARG 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3hnq s ILE 24 N -2.20 5.06 -0.20 8.89 1.01 -1.26 -4.97 121.20 127.52 3hnq s ILE 24 Ca 0.16 1.19 -0.13 0.00 0.00 0.00 0.00 60.65 61.88 3hnq s ILE 24 Cb -0.02 -3.92 -0.19 0.00 0.01 0.00 0.00 42.46 38.34 3hnq s ILE 24 CO 0.03 0.34 0.08 -0.67 0.00 0.00 0.00 174.94 174.73 3hnq n ASP 25 N 3.37 1.97 -2.73 3.58 2.03 -1.26 -4.96 116.55 118.56 3hnq n ASP 25 Ca -0.05 0.27 -0.03 0.00 0.52 0.00 0.00 54.79 55.50 3hnq n ASP 25 Cb 0.51 -0.84 0.02 0.00 -0.72 0.00 0.00 41.12 40.10 3hnq n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hnq n HIS 26 N -3.97 -1.36 -3.66 -0.67 1.44 -1.26 -3.01 115.22 102.72 3hnq n HIS 26 Ca -0.38 -1.09 -0.10 0.00 -2.01 0.00 0.00 57.72 54.14 3hnq n HIS 26 Cb 0.87 0.53 -0.03 0.00 0.12 0.00 0.00 29.99 31.48 3hnq n HIS 26 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 3hnq s LEU 27 N 0.00 -0.11 -0.17 2.39 0.05 -1.20 -5.02 118.68 114.62 3hnq s LEU 27 Ca 0.17 -0.36 -0.04 0.00 0.05 0.00 0.00 54.13 53.95 3hnq s LEU 27 Cb -0.03 2.31 -0.02 0.00 -2.05 0.00 0.00 46.19 46.40 3hnq s LEU 27 CO 0.05 -1.05 -0.03 -0.69 -0.55 0.00 0.00 176.35 174.08 3hnq s VAL 28 N -3.84 3.82 -0.22 1.48 1.01 -1.26 -0.86 120.40 120.53 3hnq s VAL 28 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3hnq s VAL 28 Cb -0.01 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3hnq s VAL 28 CO -0.05 0.47 0.05 -0.76 0.00 0.00 0.00 175.10 174.81 3hnq s LEU 29 N 0.65 3.51 -0.17 3.92 1.43 0.03 -4.97 118.68 123.08 3hnq s LEU 29 Ca -0.02 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 3hnq s LEU 29 Cb -0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3hnq s LEU 29 CO 0.02 0.05 0.52 -0.89 0.23 0.00 0.00 176.35 176.28 3hnq s THR 30 N 1.11 5.13 0.22 5.49 2.01 -1.26 -0.77 115.64 127.56 3hnq s THR 30 Ca 0.04 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.03 3hnq s THR 30 Cb -0.14 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 3hnq s THR 30 CO 0.03 0.22 0.05 0.68 -0.69 0.00 0.00 174.62 174.91 3hnq s VAL 31 N 1.32 0.59 0.03 3.82 -7.23 0.76 -3.82 120.40 115.87 3hnq s VAL 31 Ca 0.25 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 3hnq s VAL 31 Cb -0.15 -2.39 -0.31 0.00 0.56 0.00 0.00 36.38 34.08 3hnq s VAL 31 CO 0.10 -0.22 0.96 0.77 -0.31 0.00 0.00 175.10 176.40 3hnq h SER 32 N 2.54 0.61 -2.89 4.85 4.64 -1.95 -0.07 113.55 121.27 3hnq h SER 32 Ca -0.37 -0.71 -0.31 0.00 -0.47 0.00 0.00 61.79 59.92 3hnq h SER 32 Cb 1.23 -0.20 -0.36 0.00 -0.31 0.00 0.00 62.40 62.76 3hnq h SER 32 CO 0.61 1.57 -0.64 -0.62 -0.87 0.00 0.00 176.83 176.89 3hnq s ASP 33 N -7.30 1.10 0.13 4.97 2.15 -1.26 -4.59 116.67 111.87 3hnq s ASP 33 Ca -0.09 0.07 -0.16 0.00 0.43 0.00 0.00 52.55 52.80 3hnq s ASP 33 Cb 0.06 0.28 -0.01 0.00 -0.30 0.00 0.00 42.92 42.94 3hnq s ASP 33 CO 0.90 -0.28 1.69 0.40 -0.17 0.00 0.00 175.17 177.71 3hnq h ILE 34 N 6.35 1.18 -0.44 4.11 2.04 -1.95 -2.19 117.51 126.61 3hnq h ILE 34 Ca -0.15 -0.53 0.09 0.00 1.00 0.00 0.00 64.86 65.27 3hnq h ILE 34 Cb 1.13 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 3hnq h ILE 34 CO 0.20 0.19 -0.08 0.28 0.00 0.00 0.00 178.15 178.75 3hnq h SER 35 N 0.46 -0.34 -0.61 1.72 0.02 -1.99 0.25 113.55 113.06 3hnq h SER 35 Ca 0.13 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3hnq h SER 35 Cb 0.15 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 3hnq h SER 35 CO -0.01 -0.12 0.25 0.74 -1.14 0.00 0.00 176.83 176.54 3hnq h THR 36 N 0.03 1.23 -0.55 -2.27 2.02 -1.97 -2.25 112.91 109.15 3hnq h THR 36 Ca 0.22 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 3hnq h THR 36 Cb 0.33 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3hnq h THR 36 CO -0.43 0.28 0.11 0.74 0.37 0.00 0.00 175.52 176.59 3hnq h THR 37 N 0.85 1.25 -0.56 3.16 2.02 -0.66 -2.68 112.91 116.29 3hnq h THR 37 Ca 0.20 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3hnq h THR 37 Cb 0.20 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3hnq h THR 37 CO -0.02 0.34 0.27 0.40 0.37 0.00 0.00 175.52 176.88 3hnq h ILE 38 N 0.80 1.20 -0.16 3.11 2.04 -0.38 -2.19 117.51 121.92 3hnq h ILE 38 Ca 0.17 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3hnq h ILE 38 Cb 0.39 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3hnq h ILE 38 CO 0.01 0.23 0.06 -0.09 0.00 0.00 0.00 178.15 178.36 3hnq h ARG 39 N 0.76 0.13 -0.19 2.37 2.43 -1.29 -1.02 114.38 117.58 3hnq h ARG 39 Ca 0.19 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 3hnq h ARG 39 Cb 0.12 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3hnq h ARG 39 CO -0.02 0.09 -0.04 0.35 -1.51 0.00 0.00 179.97 178.83 3hnq h PHE 40 N 0.14 -0.09 -0.02 2.20 3.57 -1.33 -0.74 116.94 120.67 3hnq h PHE 40 Ca 0.07 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 3hnq h PHE 40 Cb 0.04 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3hnq h PHE 40 CO -0.11 -0.08 -0.55 1.88 -2.23 0.00 0.00 178.31 177.23 3hnq h TYR 41 N 0.01 0.06 0.07 0.41 0.05 -1.18 0.32 116.97 116.70 3hnq h TYR 41 Ca 0.09 -0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 3hnq h TYR 41 Cb 0.13 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 37.88 3hnq h TYR 41 CO -0.20 0.58 -0.54 0.93 -1.05 0.00 0.00 178.16 177.88 3hnq h GLU 42 N 0.04 0.24 -0.12 4.88 5.08 -1.09 -0.74 114.58 122.87 3hnq h GLU 42 Ca -0.00 -0.35 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 3hnq h GLU 42 Cb 0.98 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hnq h GLU 42 CO 0.07 1.12 -0.67 0.93 -1.00 0.00 0.00 179.01 179.46 3hnq h GLU 43 N -0.46 0.49 0.00 2.33 5.08 -1.15 -2.20 114.58 118.66 3hnq h GLU 43 Ca -0.09 -0.37 -0.29 0.00 -1.00 0.00 0.00 59.36 57.61 3hnq h GLU 43 Cb 1.37 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 3hnq h GLU 43 CO 0.10 0.99 -1.63 0.28 -1.00 0.00 0.00 179.01 177.76 3hnq n VAL 44 N -3.89 1.53 1.05 3.13 0.31 0.10 -4.56 118.33 116.00 3hnq n VAL 44 Ca -0.04 -0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.28 3hnq n VAL 44 Cb 0.68 -2.01 0.12 0.00 -0.91 0.00 0.00 33.84 31.71 3hnq n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hnq n LEU 45 N -4.38 1.02 -0.43 7.52 4.32 -1.00 -4.97 117.00 119.07 3hnq n LEU 45 Ca -0.38 -0.34 -0.05 0.00 -0.02 0.00 0.00 56.01 55.23 3hnq n LEU 45 Cb 0.73 -0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 42.40 3hnq n LEU 45 CO 0.13 0.22 -0.05 0.61 -1.22 0.00 0.00 177.39 177.08 3hnq n GLY 46 N 1.46 0.63 3.74 -0.72 0.00 -0.62 -4.97 105.19 104.71 3hnq n GLY 46 Ca 0.07 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 3hnq n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hnq s PHE 47 N -2.20 2.34 -0.14 1.61 0.08 -0.38 -4.92 117.98 114.36 3hnq s PHE 47 Ca 0.00 0.89 0.01 0.00 0.12 0.00 0.00 56.93 57.95 3hnq s PHE 47 Cb 0.00 -3.35 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 3hnq s PHE 47 CO 0.00 -2.60 -0.16 -1.12 -0.10 0.00 0.00 175.22 171.25 3hnq s SER 48 N -3.81 2.72 0.21 1.36 0.01 -0.62 -4.27 113.70 109.31 3hnq s SER 48 Ca 0.64 -0.50 -0.21 0.00 1.31 0.00 0.00 55.95 57.19 3hnq s SER 48 Cb -0.16 -1.22 -0.08 0.00 0.21 0.00 0.00 66.02 64.77 3hnq s SER 48 CO 0.55 -0.03 0.74 0.00 0.41 0.00 0.00 173.24 174.91 3hnq s ALA 49 N 1.33 3.42 0.12 1.44 0.00 -1.26 0.31 121.76 127.12 3hnq s ALA 49 Ca 0.02 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 3hnq s ALA 49 Cb -0.13 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 3hnq s ALA 49 CO -0.09 0.32 0.10 0.14 0.00 0.00 0.00 175.76 176.23 3hnq s VAL 50 N -1.44 0.12 -0.16 0.00 -7.23 -0.23 -4.95 120.40 106.51 3hnq s VAL 50 Ca 0.41 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 3hnq s VAL 50 Cb -0.18 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.91 3hnq s VAL 50 CO 0.22 -0.54 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.39 3hnq s THR 51 N -4.00 1.93 0.20 5.32 2.01 -1.26 -2.01 115.64 117.83 3hnq s THR 51 Ca 0.18 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.39 3hnq s THR 51 Cb 0.07 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 3hnq s THR 51 CO -0.02 0.52 -0.16 0.72 -0.69 0.00 0.00 174.62 175.00 3hnq s PHE 52 N 1.15 1.77 -1.32 4.92 -0.12 0.16 -4.75 117.98 119.78 3hnq s PHE 52 Ca 0.00 -0.53 -0.06 0.00 -0.05 0.00 0.00 56.93 56.30 3hnq s PHE 52 Cb -0.14 -0.83 0.01 0.00 -0.63 0.00 0.00 43.02 41.43 3hnq s PHE 52 CO -0.08 0.37 1.06 1.63 -0.05 0.00 0.00 175.22 178.15 3hnq n LYS 53 N -0.21 -7.01 0.00 1.99 5.02 -1.26 -0.13 118.16 116.56 3hnq n LYS 53 Ca -0.09 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 3hnq n LYS 53 Cb 0.59 -5.78 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 3hnq n LYS 53 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3hnq n GLN 54 N -4.61 0.00 -0.32 1.97 7.27 -1.26 -3.95 117.38 116.47 3hnq n GLN 54 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 3hnq n GLN 54 Cb 0.61 -0.74 0.00 0.00 2.41 0.00 0.00 30.24 32.51 3hnq n GLN 54 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 3hnq n ASN 55 N 0.56 0.00 -4.75 1.69 0.23 -1.19 -5.08 115.26 106.72 3hnq n ASN 55 Ca 0.00 -1.28 -0.36 0.00 -0.53 0.00 0.00 54.58 52.42 3hnq n ASN 55 Cb 0.00 -0.06 -0.07 0.00 -2.08 0.00 0.00 39.78 37.57 3hnq n ASN 55 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3hnq s ARG 56 N 0.00 4.11 -0.05 -3.83 0.52 0.81 -4.91 118.95 115.60 3hnq s ARG 56 Ca 0.00 -0.12 -0.07 0.00 -0.52 0.00 0.00 55.73 55.02 3hnq s ARG 56 Cb 0.00 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3hnq s ARG 56 CO 0.00 0.35 0.21 0.15 0.02 0.00 0.00 175.30 176.04 3hnq s LYS 57 N 0.18 3.53 0.04 3.54 -0.14 -1.26 0.38 119.74 126.00 3hnq s LYS 57 Ca 0.11 -0.09 -0.15 0.00 -1.36 0.00 0.00 55.97 54.48 3hnq s LYS 57 Cb -0.12 -3.14 0.02 0.00 -1.68 0.00 0.00 37.83 32.91 3hnq s LYS 57 CO 0.01 0.71 0.33 0.00 -0.76 0.00 0.00 175.35 175.64 3hnq s ALA 58 N -1.17 -0.78 -0.23 5.17 0.00 -0.85 -0.28 121.76 123.62 3hnq s ALA 58 Ca 0.22 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 3hnq s ALA 58 Cb -0.13 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3hnq s ALA 58 CO 0.11 -0.41 -0.06 -0.51 0.00 0.00 0.00 175.76 174.89 3hnq s LEU 59 N -1.97 2.96 -0.00 0.00 1.43 0.56 -1.07 118.68 120.57 3hnq s LEU 59 Ca -0.06 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 3hnq s LEU 59 Cb -0.01 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 3hnq s LEU 59 CO -0.02 -0.07 0.42 -0.63 0.23 0.00 0.00 176.35 176.28 3hnq s ILE 60 N 1.40 5.02 -0.22 -0.59 -1.09 0.15 -0.91 121.20 124.96 3hnq s ILE 60 Ca 0.03 0.87 -0.24 0.00 -2.23 0.00 0.00 60.65 59.08 3hnq s ILE 60 Cb -0.15 -3.73 0.07 0.00 -1.58 0.00 0.00 42.46 37.06 3hnq s ILE 60 CO -0.05 0.56 0.67 0.72 -1.23 0.00 0.00 174.94 175.61 3hnq s PHE 61 N -0.93 -0.72 0.00 3.97 -0.12 -1.08 -1.58 117.98 117.51 3hnq s PHE 61 Ca 0.24 1.70 0.00 0.00 -0.05 0.00 0.00 56.93 58.82 3hnq s PHE 61 Cb -0.17 0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 3hnq s PHE 61 CO 0.13 -0.39 0.00 0.41 -0.05 0.00 0.00 175.22 175.33 3hnq n GLY 62 N 2.47 3.19 0.73 1.99 0.00 -1.26 -0.89 105.19 111.42 3hnq n GLY 62 Ca -0.15 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.00 3hnq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hnq n ALA 63 N 10.41 3.33 -3.90 4.61 0.00 -1.26 -5.01 120.51 128.70 3hnq n ALA 63 Ca 0.00 -2.80 -0.11 0.00 0.00 0.00 0.00 53.44 50.53 3hnq n ALA 63 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 3hnq n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hnq n GLN 64 N -1.02 0.83 -3.79 0.00 6.02 -0.07 -4.99 117.38 114.35 3hnq n GLN 64 Ca 0.23 -1.41 -0.05 0.00 -0.01 0.00 0.00 57.00 55.77 3hnq n GLN 64 Cb 0.85 0.75 -0.01 0.00 1.02 0.00 0.00 30.24 32.84 3hnq n GLN 64 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3hnq s LYS 65 N -2.64 1.41 -0.17 -1.09 -2.85 -1.16 -2.64 119.74 110.59 3hnq s LYS 65 Ca 0.08 -0.79 -0.02 0.00 -1.00 0.00 0.00 55.97 54.24 3hnq s LYS 65 Cb 0.00 0.47 0.05 0.00 -2.06 0.00 0.00 37.83 36.29 3hnq s LYS 65 CO 0.06 -0.65 -0.00 0.42 0.10 0.00 0.00 175.35 175.28 3hnq s ILE 66 N -3.37 0.75 0.25 3.79 1.01 -0.09 -3.27 121.20 120.27 3hnq s ILE 66 Ca 0.13 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 3hnq s ILE 66 Cb -0.03 -1.09 -0.09 0.00 0.01 0.00 0.00 42.46 41.26 3hnq s ILE 66 CO 0.04 -0.03 1.02 0.20 0.00 0.00 0.00 174.94 176.17 3hnq s ASN 67 N 1.77 7.45 -0.16 3.58 0.01 -0.04 -0.33 114.94 127.23 3hnq s ASN 67 Ca 0.00 2.10 -0.04 0.00 -0.71 0.00 0.00 52.86 54.21 3hnq s ASN 67 Cb -0.16 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.85 3hnq s ASN 67 CO -0.07 -0.00 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.74 3hnq s LEU 68 N -1.23 3.38 -0.15 0.60 1.43 0.61 -0.79 118.68 122.54 3hnq s LEU 68 Ca 0.43 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3hnq s LEU 68 Cb -0.29 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3hnq s LEU 68 CO 0.36 0.18 -0.21 -1.00 0.23 0.00 0.00 176.35 175.92 3hnq s HIS 69 N 0.29 2.70 0.27 0.29 3.76 0.05 -4.40 115.29 118.25 3hnq s HIS 69 Ca -0.02 -1.35 -0.08 0.00 -0.15 0.00 0.00 55.06 53.46 3hnq s HIS 69 Cb -0.14 -1.84 -0.06 0.00 1.11 0.00 0.00 32.58 31.65 3hnq s HIS 69 CO 0.02 -0.63 0.57 -1.14 -0.85 0.00 0.00 174.74 172.72 3hnq s GLN 70 N 0.90 3.72 0.64 1.40 0.74 -1.26 -0.17 119.66 125.63 3hnq s GLN 70 Ca -0.05 0.17 -0.17 0.00 0.05 0.00 0.00 55.36 55.36 3hnq s GLN 70 Cb -0.15 -2.62 -0.01 0.00 1.10 0.00 0.00 33.01 31.33 3hnq s GLN 70 CO -0.03 0.24 1.22 -0.65 -0.55 0.00 0.00 175.29 175.52 3hnq s GLN 71 N -3.24 2.65 -0.50 1.67 -0.21 -0.04 -2.95 119.66 117.04 3hnq s GLN 71 Ca 0.46 1.85 -0.01 0.00 0.02 0.00 0.00 55.36 57.68 3hnq s GLN 71 Cb -0.11 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.02 3hnq s GLN 71 CO 0.26 -1.47 0.17 0.39 -2.12 0.00 0.00 175.29 172.53 3hnq n GLU 72 N -1.99 -1.44 0.00 2.91 -0.58 -1.26 -5.02 120.64 113.25 3hnq n GLU 72 Ca 0.14 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3hnq n GLU 72 Cb 0.49 -3.89 0.00 0.00 -0.57 0.00 0.00 31.44 27.47 3hnq n GLU 72 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hnq n GLU 74 N -1.76 0.00 -2.03 3.49 1.02 -1.15 -5.27 120.64 114.94 3hnq n GLU 74 Ca -0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 3hnq n GLU 74 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.94 3hnq n GLU 74 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hnq s PHE 75 N 0.00 2.93 0.12 -0.32 0.08 -1.26 -4.97 117.98 114.57 3hnq s PHE 75 Ca 0.00 1.32 0.02 0.00 0.12 0.00 0.00 56.93 58.39 3hnq s PHE 75 Cb 0.00 -3.78 -0.04 0.00 -0.57 0.00 0.00 43.02 38.64 3hnq s PHE 75 CO 0.00 -2.21 0.23 -2.00 -0.10 0.00 0.00 175.22 171.14 3hnq s GLU 76 N -1.73 3.33 0.73 0.44 2.12 -1.26 -4.14 118.70 118.18 3hnq s GLU 76 Ca 0.51 -0.60 -0.11 0.00 0.36 0.00 0.00 54.97 55.13 3hnq s GLU 76 Cb -0.42 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.07 3hnq s GLU 76 CO 0.55 0.54 1.07 -1.25 -0.54 0.00 0.00 175.26 175.63 3hnq s PRO 77 N -2.96 2.68 0.18 4.30 0.04 -1.26 -5.20 135.00 132.78 3hnq s PRO 77 Ca 0.34 0.90 0.03 0.00 0.04 0.00 0.00 61.00 62.30 3hnq s PRO 77 Cb -0.12 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3hnq s PRO 77 CO 0.27 -1.26 0.17 0.36 0.04 0.00 0.00 177.00 176.58 3hnq n LYS 78 N -3.23 0.25 -1.24 4.56 2.85 -1.26 -5.15 118.16 114.94 3hnq n LYS 78 Ca 0.07 -1.71 -0.31 0.00 -1.05 0.00 0.00 58.31 55.31 3hnq n LYS 78 Cb 0.54 1.45 0.10 0.00 -0.65 0.00 0.00 35.03 36.47 3hnq n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hnq s ALA 79 N -2.61 2.20 0.31 0.58 0.00 -1.26 -4.94 121.76 116.04 3hnq s ALA 79 Ca 0.20 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.55 3hnq s ALA 79 Cb 0.01 -3.29 0.51 0.00 0.00 0.00 0.00 23.12 20.34 3hnq s ALA 79 CO 0.14 -1.83 1.73 0.77 0.00 0.00 0.00 175.76 176.57 3hnq h SER 80 N -1.12 0.19 -2.22 0.00 0.02 -2.05 -3.35 113.55 105.01 3hnq h SER 80 Ca -0.44 -0.08 -0.58 0.00 -0.84 0.00 0.00 61.79 59.85 3hnq h SER 80 Cb 1.24 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.32 3hnq h SER 80 CO 0.51 0.58 -0.90 0.54 -1.14 0.00 0.00 176.83 176.41 3hnq n ARG 81 N -4.03 1.18 -1.67 3.45 1.74 -1.26 -5.09 116.66 110.97 3hnq n ARG 81 Ca -0.01 -3.70 -0.42 0.00 -0.77 0.00 0.00 57.85 52.94 3hnq n ARG 81 Cb 0.47 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3hnq n ARG 81 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hnq n PRO 82 N 1.60 2.86 -3.66 5.56 -0.02 -1.26 -4.96 135.00 135.11 3hnq n PRO 82 Ca 0.25 1.04 -0.21 0.00 -2.02 0.00 0.00 63.50 62.57 3hnq n PRO 82 Cb 0.47 -2.98 -0.18 0.00 -0.02 0.00 0.00 33.50 30.79 3hnq n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hnq s THR 83 N 3.92 -0.11 0.38 3.45 2.01 -1.26 -5.07 115.64 118.96 3hnq s THR 83 Ca 0.87 0.36 -0.28 0.00 0.31 0.00 0.00 61.69 62.95 3hnq s THR 83 Cb -0.45 -0.20 -0.11 0.00 0.01 0.00 0.00 72.50 71.75 3hnq s THR 83 CO 0.41 0.12 1.45 -2.84 -0.69 0.00 0.00 174.62 173.07 3hnq s PRO 84 N 2.17 4.10 -0.42 4.92 0.02 -1.25 -2.59 135.00 141.95 3hnq s PRO 84 Ca 0.05 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3hnq s PRO 84 Cb -0.12 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3hnq s PRO 84 CO -0.04 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 3hnq n GLY 85 N 0.52 0.64 0.25 0.52 0.00 -1.21 -4.92 105.19 100.98 3hnq n GLY 85 Ca 0.01 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.25 3hnq n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hnq n SER 86 N 1.34 1.43 -4.84 1.61 3.41 -1.07 -4.33 113.62 111.17 3hnq n SER 86 Ca -0.04 -1.21 -0.33 0.00 -0.26 0.00 0.00 58.87 57.03 3hnq n SER 86 Cb 0.18 0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 64.76 3hnq n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hnq s ALA 87 N -2.41 3.27 -0.36 7.33 0.00 -1.26 -4.97 121.76 123.36 3hnq s ALA 87 Ca 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 3hnq s ALA 87 Cb 0.15 -2.87 0.13 0.00 0.00 0.00 0.00 23.12 20.53 3hnq s ALA 87 CO 0.60 0.28 0.20 0.34 0.00 0.00 0.00 175.76 177.18 3hnq s ASP 88 N -2.17 3.20 -0.10 0.00 -1.08 -1.26 -0.45 116.67 114.81 3hnq s ASP 88 Ca 0.55 -2.13 -0.02 0.00 -0.52 0.00 0.00 52.55 50.42 3hnq s ASP 88 Cb -0.11 -0.52 -0.03 0.00 -1.46 0.00 0.00 42.92 40.80 3hnq s ASP 88 CO 0.17 -0.32 -0.01 -0.76 0.52 0.00 0.00 175.17 174.77 3hnq s LEU 89 N 1.09 3.47 -0.13 -1.34 1.43 0.25 -4.98 118.68 118.47 3hnq s LEU 89 Ca 0.16 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3hnq s LEU 89 Cb -0.22 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3hnq s LEU 89 CO -0.05 0.32 -0.15 0.00 0.23 0.00 0.00 176.35 176.71 3hnq s PHE 91 N 0.45 2.42 -0.16 0.00 0.08 0.12 -4.96 117.98 115.93 3hnq s PHE 91 Ca -0.11 -0.33 -0.08 0.00 0.12 0.00 0.00 56.93 56.53 3hnq s PHE 91 Cb -0.16 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 3hnq s PHE 91 CO 0.05 0.32 0.11 0.42 -0.10 0.00 0.00 175.22 176.02 3hnq s ILE 92 N -1.04 5.23 0.10 0.64 -1.09 -1.26 -0.55 121.20 123.22 3hnq s ILE 92 Ca 0.15 0.12 0.07 0.00 -2.23 0.00 0.00 60.65 58.76 3hnq s ILE 92 Cb -0.10 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 3hnq s ILE 92 CO 0.07 0.52 -0.11 0.28 -1.23 0.00 0.00 174.94 174.46 3hnq s THR 93 N -0.21 3.29 -1.98 2.92 -1.32 0.72 -4.91 115.64 114.15 3hnq s THR 93 Ca 0.10 -1.27 0.24 0.00 -1.21 0.00 0.00 61.69 59.54 3hnq s THR 93 Cb -0.12 -2.52 0.07 0.00 -1.51 0.00 0.00 72.50 68.42 3hnq s THR 93 CO 0.01 0.13 1.22 -1.54 -2.21 0.00 0.00 174.62 172.23 3hnq n SER 94 N 0.79 1.78 -4.82 8.08 3.41 -1.26 -4.60 113.62 117.00 3hnq n SER 94 Ca -0.14 -1.36 -0.35 0.00 -0.26 0.00 0.00 58.87 56.75 3hnq n SER 94 Cb 0.52 0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 64.80 3hnq n SER 94 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hnq s THR 95 N -2.48 4.56 0.05 6.66 2.01 -1.26 -4.98 115.64 120.21 3hnq s THR 95 Ca 0.20 1.27 -0.35 0.00 0.31 0.00 0.00 61.69 63.12 3hnq s THR 95 Cb 0.18 -3.82 -0.14 0.00 0.01 0.00 0.00 72.50 68.73 3hnq s THR 95 CO 0.55 0.12 1.60 -2.65 -0.69 0.00 0.00 174.62 173.55 3hnq n PRO 96 N 0.49 1.83 -0.26 4.92 -0.02 -1.26 -4.80 135.00 135.89 3hnq n PRO 96 Ca -0.01 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.33 3hnq n PRO 96 Cb 0.51 -2.41 0.50 0.00 -0.02 0.00 0.00 33.50 32.08 3hnq n PRO 96 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3hnq h ILE 97 N 4.07 0.65 0.00 4.25 6.09 -1.94 0.19 117.51 130.82 3hnq h ILE 97 Ca -0.46 -0.15 -0.09 0.00 -1.37 0.00 0.00 64.86 62.79 3hnq h ILE 97 Cb 1.28 0.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 3hnq h ILE 97 CO 0.88 0.08 -0.44 0.78 -3.07 0.00 0.00 178.15 176.38 3hnq h ASN 98 N 0.43 0.00 -0.30 2.19 2.35 -2.00 -1.24 115.58 117.00 3hnq h ASN 98 Ca 0.50 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.16 3hnq h ASN 98 Cb 1.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 3hnq h ASN 98 CO -0.21 0.44 -0.15 0.44 -1.65 0.00 0.00 177.43 176.30 3hnq h ASP 99 N 0.00 0.66 -0.50 5.81 5.19 -1.00 -2.55 116.42 124.03 3hnq h ASP 99 Ca -0.00 -0.41 0.01 0.00 -0.62 0.00 0.00 57.03 56.00 3hnq h ASP 99 Cb 0.80 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 3hnq h ASP 99 CO 0.06 0.93 0.33 0.58 -3.12 0.00 0.00 179.24 178.02 3hnq h VAL 100 N 0.40 1.13 -0.39 -1.35 2.07 -0.87 -0.18 116.25 117.04 3hnq h VAL 100 Ca 0.07 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.42 3hnq h VAL 100 Cb 0.68 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3hnq h VAL 100 CO 0.05 0.12 0.05 0.58 0.02 0.00 0.00 177.57 178.39 3hnq h VAL 101 N 0.68 0.76 -0.58 2.57 2.07 -1.12 -0.58 116.25 120.05 3hnq h VAL 101 Ca 0.18 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3hnq h VAL 101 Cb -0.08 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3hnq h VAL 101 CO -0.04 0.03 0.18 0.28 0.02 0.00 0.00 177.57 178.04 3hnq h SER 102 N 0.17 0.85 -0.89 0.57 0.02 -1.05 -2.05 113.55 111.18 3hnq h SER 102 Ca 0.19 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3hnq h SER 102 Cb 0.25 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 3hnq h SER 102 CO -0.27 0.84 0.56 -0.33 -1.14 0.00 0.00 176.83 176.49 3hnq h GLU 103 N 0.82 1.02 -0.49 3.45 5.08 -0.40 0.19 114.58 124.25 3hnq h GLU 103 Ca 0.19 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 3hnq h GLU 103 Cb 0.29 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3hnq h GLU 103 CO -0.00 0.68 -0.12 0.82 -1.00 0.00 0.00 179.01 179.38 3hnq h ILE 104 N 1.05 1.26 -0.21 3.13 2.04 -0.80 -1.68 117.51 122.32 3hnq h ILE 104 Ca 0.37 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 3hnq h ILE 104 Cb 0.11 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3hnq h ILE 104 CO -0.15 0.43 -0.29 -0.07 0.00 0.00 0.00 178.15 178.07 3hnq h LEU 105 N 0.81 0.61 -2.00 1.44 3.38 -0.83 -1.59 115.31 117.14 3hnq h LEU 105 Ca 0.13 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3hnq h LEU 105 Cb 0.65 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hnq h LEU 105 CO 0.05 1.01 -0.07 1.56 0.09 0.00 0.00 178.44 181.07 3hnq h GLN 106 N 0.24 0.00 -0.00 1.13 4.20 -0.49 -0.59 115.11 119.59 3hnq h GLN 106 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hnq h GLN 106 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3hnq h GLN 106 CO 0.07 0.07 -0.05 0.00 -0.67 0.00 0.00 178.83 178.25 3hnq n ALA 107 N -2.44 2.60 -0.86 3.87 0.00 -0.65 -4.90 120.51 118.14 3hnq n ALA 107 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hnq n ALA 107 Cb 0.15 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3hnq n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hnq n GLY 108 N 1.29 0.50 3.75 0.00 0.00 -0.23 -5.04 105.19 105.46 3hnq n GLY 108 Ca 0.14 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3hnq n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hnq s ILE 109 N -2.00 5.19 0.10 -0.61 -1.09 -0.61 -5.04 121.20 117.14 3hnq s ILE 109 Ca 0.00 0.80 -0.24 0.00 -2.23 0.00 0.00 60.65 58.98 3hnq s ILE 109 Cb 0.00 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 3hnq s ILE 109 CO 0.00 0.40 0.74 -0.94 -1.23 0.00 0.00 174.94 173.92 3hnq s SER 110 N 0.18 7.26 -0.25 3.58 1.04 -1.26 -4.23 113.70 120.02 3hnq s SER 110 Ca 0.22 1.50 -0.27 0.00 0.48 0.00 0.00 55.95 57.88 3hnq s SER 110 Cb -0.15 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3hnq s SER 110 CO 0.09 0.13 0.95 -0.63 0.98 0.00 0.00 173.24 174.76 3hnq s ILE 111 N -0.62 4.72 0.08 -1.02 1.09 -1.26 -4.63 121.20 119.56 3hnq s ILE 111 Ca 0.36 1.77 -0.21 0.00 -1.10 0.00 0.00 60.65 61.47 3hnq s ILE 111 Cb -0.21 -4.24 -0.11 0.00 -1.06 0.00 0.00 42.46 36.84 3hnq s ILE 111 CO 0.24 -0.18 1.57 0.58 -0.10 0.00 0.00 174.94 177.04 3hnq h VAL 112 N 5.49 1.20 -1.77 2.92 2.07 -1.09 -3.46 116.25 121.60 3hnq h VAL 112 Ca -0.21 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.70 3hnq h VAL 112 Cb 1.07 1.30 -0.22 0.00 -1.52 0.00 0.00 31.29 31.92 3hnq h VAL 112 CO 0.94 0.19 0.36 -0.70 0.02 0.00 0.00 177.57 178.38 3hnq s GLU 113 N -5.32 0.77 0.00 1.57 2.12 -1.22 -4.99 118.70 111.63 3hnq s GLU 113 Ca -0.14 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.53 3hnq s GLU 113 Cb 0.06 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3hnq s GLU 113 CO 0.71 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 3hnq n GLY 114 N 1.22 2.07 3.76 -1.50 0.00 -1.26 -0.65 105.19 108.83 3hnq n GLY 114 Ca -0.14 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 3hnq n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hnq s PRO 115 N -1.76 4.26 -0.05 1.61 0.02 -1.26 -4.95 135.00 132.87 3hnq s PRO 115 Ca 0.00 2.35 -0.05 0.00 0.02 0.00 0.00 61.00 63.31 3hnq s PRO 115 Cb 0.00 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.48 3hnq s PRO 115 CO 0.00 -0.36 0.14 0.08 -0.33 0.00 0.00 177.00 176.54 3hnq s VAL 116 N -0.79 0.01 0.19 3.83 1.01 0.60 -4.92 120.40 120.33 3hnq s VAL 116 Ca 0.53 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 3hnq s VAL 116 Cb -0.42 -0.24 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 3hnq s VAL 116 CO 0.53 -0.05 1.07 -0.70 0.00 0.00 0.00 175.10 175.95 3hnq s GLU 117 N -0.13 4.63 0.36 2.72 2.12 -1.26 0.02 118.70 127.17 3hnq s GLU 117 Ca -0.02 1.68 0.06 0.00 0.36 0.00 0.00 54.97 57.06 3hnq s GLU 117 Cb -0.02 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 3hnq s GLU 117 CO 0.00 0.14 0.23 1.03 -0.54 0.00 0.00 175.26 176.13 3hnq s ARG 118 N -0.53 1.84 -0.54 4.30 1.81 0.88 -4.92 118.95 121.79 3hnq s ARG 118 Ca 0.48 -2.09 -0.19 0.00 -1.72 0.00 0.00 55.73 52.20 3hnq s ARG 118 Cb -0.29 0.02 0.08 0.00 -0.45 0.00 0.00 34.95 34.31 3hnq s ARG 118 CO 0.35 -0.61 0.66 0.99 -0.68 0.00 0.00 175.30 176.01 3hnq s THR 119 N -3.35 4.84 1.04 0.02 2.01 -1.26 -1.55 115.64 117.40 3hnq s THR 119 Ca 0.34 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 3hnq s THR 119 Cb 0.02 -4.38 0.23 0.00 0.01 0.00 0.00 72.50 68.38 3hnq s THR 119 CO 0.24 -0.94 1.27 -0.83 -0.69 0.00 0.00 174.62 173.66 3hnq s GLY 120 N 3.08 1.74 0.50 4.40 0.00 0.47 -4.93 107.32 112.57 3hnq s GLY 120 Ca 0.14 -1.17 0.24 0.00 0.00 0.00 0.00 44.72 43.92 3hnq s GLY 120 CO 0.10 -0.35 2.04 0.00 0.00 0.00 0.00 173.10 174.88 3hnq h ALA 121 N -1.95 1.37 -0.06 3.20 0.00 -1.98 -3.26 119.26 116.58 3hnq h ALA 121 Ca -0.44 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 3hnq h ALA 121 Cb 1.24 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.64 3hnq h ALA 121 CO 0.35 0.18 -0.99 0.25 0.00 0.00 0.00 179.25 179.04 3hnq n THR 122 N -3.80 0.18 -0.27 0.00 -2.24 -1.26 -5.13 114.28 101.76 3hnq n THR 122 Ca -0.02 -1.21 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 3hnq n THR 122 Cb 0.25 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3hnq n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hnq n GLY 123 N 0.28 -1.37 3.76 3.38 0.00 -1.23 -5.11 105.19 104.91 3hnq n GLY 123 Ca 0.04 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 3hnq n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hnq s GLU 124 N -1.67 4.52 0.00 1.61 0.41 -1.26 0.18 118.70 122.49 3hnq s GLU 124 Ca 0.00 1.80 0.00 0.00 -0.41 0.00 0.00 54.97 56.36 3hnq s GLU 124 Cb 0.00 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 3hnq s GLU 124 CO 0.00 0.10 0.00 0.44 -0.49 0.00 0.00 175.26 175.31 3hnq n ILE 125 N 0.92 0.00 0.00 -1.63 -5.35 -0.59 -1.68 119.36 111.03 3hnq n ILE 125 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3hnq n ILE 125 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 3hnq n ILE 125 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3hnq n SER 127 N 0.00 0.00 -3.83 7.28 7.64 0.10 -0.08 113.62 124.73 3hnq n SER 127 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3hnq n SER 127 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 3hnq n SER 127 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3hnq s ILE 128 N -2.00 -0.02 -0.01 0.44 1.10 -0.71 -0.29 121.20 119.71 3hnq s ILE 128 Ca 0.00 0.07 0.07 0.00 -0.51 0.00 0.00 60.65 60.27 3hnq s ILE 128 Cb 0.00 -0.08 -0.03 0.00 0.15 0.00 0.00 42.46 42.51 3hnq s ILE 128 CO 0.00 0.03 -0.20 -0.31 -2.11 0.00 0.00 174.94 172.34 3hnq s TYR 129 N 0.37 2.50 0.22 3.50 1.51 0.18 -1.02 117.35 124.61 3hnq s TYR 129 Ca -0.03 -0.30 -0.08 0.00 -1.01 0.00 0.00 57.07 55.65 3hnq s TYR 129 Cb -0.04 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3hnq s TYR 129 CO -0.01 0.12 0.32 0.96 -1.11 0.00 0.00 175.55 175.83 3hnq s ILE 130 N -0.75 0.01 0.16 2.71 -4.36 -0.34 -0.41 121.20 118.23 3hnq s ILE 130 Ca 0.12 -1.62 0.10 0.00 -0.26 0.00 0.00 60.65 58.98 3hnq s ILE 130 Cb -0.10 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 3hnq s ILE 130 CO 0.01 -0.05 -0.18 -0.13 0.24 0.00 0.00 174.94 174.84 3hnq s ARG 131 N -4.06 1.76 0.61 0.37 0.52 -1.26 -0.19 118.95 116.70 3hnq s ARG 131 Ca 0.28 -1.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 3hnq s ARG 131 Cb 0.03 -2.03 0.09 0.00 0.52 0.00 0.00 34.95 33.56 3hnq s ARG 131 CO 0.09 0.44 0.84 0.16 0.02 0.00 0.00 175.30 176.85 3hnq s ASP 132 N -2.51 4.91 0.46 0.23 -4.77 -0.87 -4.93 116.67 109.18 3hnq s ASP 132 Ca 0.21 -0.66 0.26 0.00 -3.30 0.00 0.00 52.55 49.06 3hnq s ASP 132 Cb -0.09 0.13 1.31 0.00 -1.09 0.00 0.00 42.92 43.17 3hnq s ASP 132 CO 0.11 -1.46 1.77 -0.65 0.70 0.00 0.00 175.17 175.64 3hnq h PRO 133 N -0.01 0.21 -0.01 2.11 0.11 -1.92 -0.69 132.00 131.80 3hnq h PRO 133 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hnq h PRO 133 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hnq h PRO 133 CO 0.41 0.14 -0.18 -0.25 -0.21 0.00 0.00 178.00 177.91 3hnq n ASP 134 N -4.46 1.28 0.00 -2.05 8.00 -1.26 -4.93 116.55 113.13 3hnq n ASP 134 Ca 0.26 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3hnq n ASP 134 Cb 1.07 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 3hnq n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hnq n GLY 135 N 1.29 0.67 3.75 0.44 0.00 -0.27 -3.36 105.19 107.71 3hnq n GLY 135 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3hnq n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hnq s ASN 136 N -2.68 4.98 -0.23 1.61 0.02 -1.26 -4.75 114.94 112.64 3hnq s ASN 136 Ca 0.00 2.36 -0.14 0.00 -1.02 0.00 0.00 52.86 54.06 3hnq s ASN 136 Cb 0.00 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 38.63 3hnq s ASN 136 CO 0.00 -1.73 0.32 -0.22 0.02 0.00 0.00 177.10 175.48 3hnq s LEU 137 N -4.34 4.12 -0.17 0.60 2.96 0.41 -2.06 118.68 120.20 3hnq s LEU 137 Ca 0.76 0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.98 3hnq s LEU 137 Cb -0.30 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 3hnq s LEU 137 CO 0.36 -0.05 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.64 3hnq s ILE 138 N 1.38 3.46 -0.23 6.68 -1.09 0.74 -0.58 121.20 131.55 3hnq s ILE 138 Ca 0.14 -0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3hnq s ILE 138 Cb -0.15 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 3hnq s ILE 138 CO 0.07 0.48 -0.05 -0.70 -1.23 0.00 0.00 174.94 173.51 3hnq s GLU 139 N 0.76 3.22 -0.25 2.79 2.12 0.24 -1.20 118.70 126.38 3hnq s GLU 139 Ca -0.03 -0.73 -0.07 0.00 0.36 0.00 0.00 54.97 54.50 3hnq s GLU 139 Cb -0.15 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3hnq s GLU 139 CO 0.02 -0.26 0.07 0.42 -0.54 0.00 0.00 175.26 174.96 3hnq s ILE 140 N 1.44 4.28 0.16 -3.70 -1.09 -0.19 0.14 121.20 122.23 3hnq s ILE 140 Ca 0.04 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 3hnq s ILE 140 Cb -0.15 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 3hnq s ILE 140 CO -0.04 0.34 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.51 3hnq s SER 141 N 1.59 1.66 -0.02 3.58 0.01 0.28 -1.74 113.70 119.06 3hnq s SER 141 Ca 0.06 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.26 3hnq s SER 141 Cb -0.15 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.11 3hnq s SER 141 CO 0.03 -0.41 -0.03 -1.58 0.41 0.00 0.00 173.24 171.67 3hnq s GLN 142 N -3.80 0.41 0.26 12.44 0.74 -1.26 -0.20 119.66 128.25 3hnq s GLN 142 Ca 0.19 -0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.23 3hnq s GLN 142 Cb 0.04 -0.46 -0.10 0.00 1.10 0.00 0.00 33.01 33.59 3hnq s GLN 142 CO 0.02 -0.00 1.38 0.71 -0.55 0.00 0.00 175.29 176.85 3hnq s TYR 143 N 0.40 3.07 -2.20 1.67 1.51 -1.26 -4.54 117.35 116.00 3hnq s TYR 143 Ca -0.04 1.16 0.30 0.00 -1.01 0.00 0.00 57.07 57.48 3hnq s TYR 143 Cb -0.07 -3.74 1.56 0.00 -0.11 0.00 0.00 41.96 39.60 3hnq s TYR 143 CO -0.01 -2.32 2.04 0.28 -1.11 0.00 0.00 175.55 174.43