#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puq s LYS 2 N 0.00 3.51 -0.01 2.12 2.47 -0.90 -5.02 119.74 121.91 1puq s LYS 2 Ca 0.00 -0.08 -0.00 0.00 -1.56 0.00 0.00 55.97 54.32 1puq s LYS 2 Cb 0.00 -3.17 0.01 0.00 -1.46 0.00 0.00 37.83 33.21 1puq s LYS 2 CO 0.00 0.74 0.01 0.21 0.16 0.00 0.00 175.35 176.48 1puq s LYS 3 N -1.22 0.00 -0.10 4.03 2.20 -1.26 0.88 119.74 124.27 1puq s LYS 3 Ca 0.19 0.05 -0.05 0.00 -0.36 0.00 0.00 55.97 55.79 1puq s LYS 3 Cb -0.13 -0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.19 1puq s LYS 3 CO 0.08 -0.03 0.24 -0.48 -0.36 0.00 0.00 175.35 174.79 1puq s LEU 4 N 0.21 0.52 0.12 5.43 0.05 0.35 -4.88 118.68 120.48 1puq s LEU 4 Ca -0.02 0.50 0.03 0.00 0.05 0.00 0.00 54.13 54.69 1puq s LEU 4 Cb -0.02 0.71 -0.04 0.00 -2.05 0.00 0.00 46.19 44.79 1puq s LEU 4 CO -0.01 -0.15 0.18 -1.10 -0.55 0.00 0.00 176.35 174.72 1puq s GLN 5 N 1.11 3.14 -0.10 1.48 -0.21 -1.26 -0.09 119.66 123.73 1puq s GLN 5 Ca -0.08 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.55 1puq s GLN 5 Cb -0.09 -2.82 0.04 0.00 1.00 0.00 0.00 33.01 31.13 1puq s GLN 5 CO -0.07 0.53 0.24 0.42 -2.12 0.00 0.00 175.29 174.29 1puq s ILE 6 N -1.63 -0.02 -0.12 1.08 1.09 0.32 -3.58 121.20 118.33 1puq s ILE 6 Ca 0.32 0.08 0.02 0.00 -1.10 0.00 0.00 60.65 59.97 1puq s ILE 6 Cb -0.11 -0.36 0.02 0.00 -1.06 0.00 0.00 42.46 40.94 1puq s ILE 6 CO 0.25 0.03 -0.16 0.00 -0.10 0.00 0.00 174.94 174.97 1puq s ALA 7 N 0.73 1.79 0.25 9.38 0.00 -0.99 -0.00 121.76 132.92 1puq s ALA 7 Ca -0.05 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.18 1puq s ALA 7 Cb -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1puq s ALA 7 CO -0.04 -0.13 -0.10 0.14 0.00 0.00 0.00 175.76 175.62 1puq s VAL 8 N 1.07 1.76 -0.18 0.00 -7.23 0.30 -3.87 120.40 112.24 1puq s VAL 8 Ca -0.04 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 57.90 1puq s VAL 8 Cb -0.15 -2.28 0.09 0.00 0.56 0.00 0.00 36.38 34.60 1puq s VAL 8 CO -0.03 -0.42 0.24 -0.83 -0.31 0.00 0.00 175.10 173.74 1puq s GLY 9 N -3.40 -0.06 -0.59 2.32 0.00 -1.23 0.12 107.32 104.48 1puq s GLY 9 Ca 0.27 0.51 -0.27 0.00 0.00 0.00 0.00 44.72 45.23 1puq s GLY 9 CO 0.10 2.11 1.79 -0.42 0.00 0.00 0.00 173.10 176.68 1puq s ILE 10 N 2.37 3.41 -0.04 0.90 -1.09 -0.42 -4.73 121.20 121.60 1puq s ILE 10 Ca 0.06 0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 58.44 1puq s ILE 10 Cb -0.14 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1puq s ILE 10 CO -0.11 -0.94 1.41 -0.63 -1.23 0.00 0.00 174.94 173.44 1puq s ILE 11 N 8.51 3.81 -0.20 2.92 1.01 -1.26 -2.54 121.20 133.45 1puq s ILE 11 Ca 0.65 1.13 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 1puq s ILE 11 Cb -0.13 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1puq s ILE 11 CO 0.22 -0.04 0.56 -0.13 0.00 0.00 0.00 174.94 175.55 1puq s ARG 12 N 2.87 4.19 0.25 2.79 1.81 -1.25 -2.23 118.95 127.38 1puq s ARG 12 Ca 0.64 0.48 -0.04 0.00 -1.72 0.00 0.00 55.73 55.08 1puq s ARG 12 Cb -0.30 -3.57 0.06 0.00 -0.45 0.00 0.00 34.95 30.69 1puq s ARG 12 CO 0.25 -0.20 0.30 -1.71 -0.68 0.00 0.00 175.30 173.26 1puq n ASN 13 N 4.93 -0.39 -0.18 0.23 5.15 0.58 -3.10 115.26 122.49 1puq n ASN 13 Ca -0.03 -0.96 0.10 0.00 -0.60 0.00 0.00 54.58 53.08 1puq n ASN 13 Cb 0.50 -0.24 0.51 0.00 -0.53 0.00 0.00 39.78 40.02 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1puq n GLU 14 N -1.87 1.23 -2.69 1.20 0.00 -1.26 -3.99 120.64 113.27 1puq n GLU 14 Ca 0.04 -0.35 -0.11 0.00 0.00 0.00 0.00 57.16 56.73 1puq n GLU 14 Cb 0.14 -1.33 0.02 0.00 0.00 0.00 0.00 31.44 30.27 1puq n GLU 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1puq n ASN 15 N -0.44 1.65 -1.76 4.31 5.15 -1.26 -4.94 115.26 117.97 1puq n ASN 15 Ca 0.15 -2.81 -0.07 0.00 -0.60 0.00 0.00 54.58 51.25 1puq n ASN 15 Cb 0.15 -0.53 -0.02 0.00 -0.53 0.00 0.00 39.78 38.85 1puq n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1puq n ASN 16 N -0.07 -2.21 -4.41 1.20 0.23 -1.26 -4.90 115.26 103.85 1puq n ASN 16 Ca 0.13 0.24 -0.31 0.00 -0.53 0.00 0.00 54.58 54.11 1puq n ASN 16 Cb 0.79 -2.13 -0.14 0.00 -2.08 0.00 0.00 39.78 36.23 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1puq s GLU 17 N -3.67 1.98 -0.06 -3.83 -1.05 -1.26 -4.58 118.70 106.23 1puq s GLU 17 Ca 0.00 -1.02 0.02 0.00 -0.15 0.00 0.00 54.97 53.83 1puq s GLU 17 Cb 0.00 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 1puq s GLU 17 CO 0.00 0.53 -0.12 0.42 0.95 0.00 0.00 175.26 177.04 1puq s ILE 18 N -0.86 3.24 -0.47 1.83 1.01 0.42 0.22 121.20 126.59 1puq s ILE 18 Ca 0.13 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 1puq s ILE 18 Cb -0.10 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.11 1puq s ILE 18 CO 0.03 0.59 0.70 0.12 0.00 0.00 0.00 174.94 176.38 1puq s PHE 19 N -0.63 3.01 0.19 3.97 5.36 -0.95 -1.05 117.98 127.89 1puq s PHE 19 Ca 0.09 -0.15 0.06 0.00 -0.96 0.00 0.00 56.93 55.98 1puq s PHE 19 Cb -0.11 -3.53 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 1puq s PHE 19 CO 0.01 -0.99 0.09 0.96 -1.46 0.00 0.00 175.22 173.83 1puq s ILE 20 N 2.99 4.16 -0.32 3.12 -4.36 -1.20 -4.49 121.20 121.10 1puq s ILE 20 Ca 0.23 -1.29 -0.29 0.00 -0.26 0.00 0.00 60.65 59.04 1puq s ILE 20 Cb -0.15 -3.14 -0.01 0.00 1.25 0.00 0.00 42.46 40.41 1puq s ILE 20 CO 0.18 -0.16 1.60 0.42 0.24 0.00 0.00 174.94 177.21 1puq s THR 21 N -1.84 3.71 -0.08 8.37 -4.23 0.02 -3.46 115.64 118.13 1puq s THR 21 Ca 0.30 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.59 1puq s THR 21 Cb -0.09 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.90 1puq s THR 21 CO 0.22 -0.48 -0.17 -0.60 -0.54 0.00 0.00 174.62 173.05 1puq s ARG 22 N 5.05 2.30 1.95 3.99 3.00 -1.20 0.11 118.95 134.15 1puq s ARG 22 Ca 0.70 -0.62 0.00 0.00 -1.00 0.00 0.00 55.73 54.82 1puq s ARG 22 Cb -0.20 -1.81 0.00 0.00 0.00 0.00 0.00 34.95 32.94 1puq s ARG 22 CO 0.31 0.08 0.00 -2.13 0.00 0.00 0.00 175.30 173.57 1puq n ARG 23 N 3.72 0.00 -3.25 5.12 0.63 -1.24 -4.57 116.66 117.07 1puq n ARG 23 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1puq n ARG 23 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1puq n ALA 24 N 8.01 0.00 0.07 5.13 0.00 -1.25 -4.61 120.51 127.86 1puq n ALA 24 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1puq n ALA 24 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1puq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1puq h ALA 25 N 0.00 0.35 -0.69 0.00 0.00 -1.87 -3.43 119.26 113.61 1puq h ALA 25 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 1puq h ALA 25 Cb 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 17.50 1puq h ALA 25 CO 0.00 1.18 -0.35 0.16 0.00 0.00 0.00 179.25 180.24 1puq s ASP 26 N -6.79 -1.01 0.05 0.00 1.47 -1.26 -5.16 116.67 103.96 1puq s ASP 26 Ca 0.00 -1.12 -0.01 0.00 1.18 0.00 0.00 52.55 52.60 1puq s ASP 26 Cb 0.10 1.32 0.00 0.00 -0.34 0.00 0.00 42.92 44.00 1puq s ASP 26 CO 0.83 -0.04 0.08 0.00 0.68 0.00 0.00 175.17 176.71 1puq n ALA 27 N 2.97 -0.15 -1.79 2.11 0.00 -1.26 -5.06 120.51 117.33 1puq n ALA 27 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 27 Cb 0.59 0.13 0.16 0.00 0.00 0.00 0.00 19.45 20.34 1puq n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1puq n HIS 28 N -0.07 0.32 -1.84 0.00 -0.00 -1.26 -4.83 115.22 107.54 1puq n HIS 28 Ca -0.01 -1.45 -0.37 0.00 0.46 0.00 0.00 57.72 56.35 1puq n HIS 28 Cb 0.07 -0.25 0.02 0.00 -0.12 0.00 0.00 29.99 29.71 1puq n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1puq n MET 29 N -0.85 2.73 0.23 1.57 2.81 -1.26 -4.71 117.12 117.64 1puq n MET 29 Ca 0.20 -3.29 0.17 0.00 -1.81 0.00 0.00 57.70 52.97 1puq n MET 29 Cb 0.78 -2.25 0.76 0.00 -0.71 0.00 0.00 33.22 31.81 1puq n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1puq h ALA 30 N 3.03 1.70 -0.63 3.04 0.00 -1.90 0.88 119.26 125.38 1puq h ALA 30 Ca 0.53 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.10 1puq h ALA 30 Cb 0.18 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.79 1puq h ALA 30 CO 1.31 -0.50 0.43 0.09 0.00 0.00 0.00 179.25 180.59 1puq n ASN 31 N -3.23 3.89 -0.93 0.00 4.13 -1.26 -4.16 115.26 113.70 1puq n ASN 31 Ca 0.02 -3.05 0.02 0.00 1.68 0.00 0.00 54.58 53.25 1puq n ASN 31 Cb 0.51 -0.75 0.21 0.00 -1.54 0.00 0.00 39.78 38.20 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1puq n LYS 32 N -0.48 2.05 -0.96 3.52 3.00 0.30 -4.23 118.16 121.37 1puq n LYS 32 Ca 0.38 -3.04 -0.34 0.00 -0.00 0.00 0.00 58.31 55.31 1puq n LYS 32 Cb 1.16 -1.78 -0.04 0.00 0.00 0.00 0.00 35.03 34.38 1puq n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1puq n LEU 33 N -0.99 4.34 0.00 3.14 0.00 -1.23 -3.95 117.00 118.30 1puq n LEU 33 Ca 0.27 -2.85 0.00 0.00 0.00 0.00 0.00 56.01 53.43 1puq n LEU 33 Cb 0.93 -1.09 0.00 0.00 0.00 0.00 0.00 43.42 43.26 1puq n LEU 33 CO 0.14 0.01 0.00 1.21 0.00 0.00 0.00 177.39 178.75 1puq n GLU 34 N 5.85 1.49 -4.92 1.96 2.13 0.12 -4.02 120.64 123.25 1puq n GLU 34 Ca 0.46 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.98 1puq n GLU 34 Cb 0.29 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.85 1puq n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1puq s PHE 35 N 0.41 2.38 1.09 4.31 0.40 -1.26 -0.80 117.98 124.50 1puq s PHE 35 Ca 0.00 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 1puq s PHE 35 Cb 0.00 -1.43 0.21 0.00 0.51 0.00 0.00 43.02 42.31 1puq s PHE 35 CO 0.00 0.13 0.86 -0.35 0.70 0.00 0.00 175.22 176.56 1puq n PRO 36 N 1.84 -1.66 0.00 0.24 -0.04 -1.26 -4.72 135.00 129.40 1puq n PRO 36 Ca -0.17 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1puq n PRO 36 Cb 0.52 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1puq n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1puq n GLY 37 N 1.00 0.85 3.15 0.55 0.00 -1.25 -3.53 105.19 105.96 1puq n GLY 37 Ca 0.05 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1puq n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1puq s GLY 38 N -1.83 1.00 0.00 -0.02 0.00 -1.25 -2.35 107.32 102.87 1puq s GLY 38 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1puq s GLY 38 CO 0.00 -0.33 0.00 1.17 0.00 0.00 0.00 173.10 173.94 1puq n LYS 39 N 3.24 0.00 -0.01 2.90 4.81 -1.26 -4.95 118.16 122.89 1puq n LYS 39 Ca -0.19 0.00 0.24 0.00 -0.87 0.00 0.00 58.31 57.49 1puq n LYS 39 Cb 0.53 0.00 0.69 0.00 0.02 0.00 0.00 35.03 36.27 1puq n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1puq h ILE 40 N 0.00 0.32 -0.13 3.15 3.07 -1.84 -2.71 117.51 119.37 1puq h ILE 40 Ca 0.00 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.42 1puq h ILE 40 Cb 0.00 0.51 -0.02 0.00 -0.27 0.00 0.00 36.82 37.04 1puq h ILE 40 CO 0.00 0.00 -0.08 1.05 -1.05 0.00 0.00 178.15 178.07 1puq h GLU 41 N 0.00 -0.01 0.00 0.16 -0.00 -1.90 -3.37 114.58 109.46 1puq h GLU 41 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 1puq h GLU 41 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.29 1puq h GLU 41 CO -0.00 -0.00 0.00 -1.33 -0.00 0.00 0.00 179.01 177.67 1puq n MET 42 N -3.28 0.00 -0.71 1.06 2.81 -1.02 -2.94 117.12 113.04 1puq n MET 42 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1puq n MET 42 Cb 0.04 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.51 1puq n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1puq n GLY 43 N 0.00 0.04 1.48 3.03 0.00 -1.26 -5.16 105.19 103.33 1puq n GLY 43 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1puq n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1puq n GLU 44 N 0.00 0.42 -4.07 1.61 4.71 -1.15 -5.07 120.64 117.09 1puq n GLU 44 Ca -0.13 -1.06 -0.26 0.00 -0.01 0.00 0.00 57.16 55.70 1puq n GLU 44 Cb 0.46 -0.23 -0.05 0.00 -1.01 0.00 0.00 31.44 30.61 1puq n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1puq s THR 45 N -0.92 4.58 0.61 2.62 2.01 -1.26 -4.74 115.64 118.54 1puq s THR 45 Ca 0.25 -1.07 0.26 0.00 0.31 0.00 0.00 61.69 61.44 1puq s THR 45 Cb -0.01 -3.36 0.35 0.00 0.01 0.00 0.00 72.50 69.49 1puq s THR 45 CO 0.16 -0.13 1.53 1.55 -0.69 0.00 0.00 174.62 177.04 1puq h PRO 46 N 2.28 0.00 0.00 4.92 0.13 -1.98 1.66 132.00 139.01 1puq h PRO 46 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.32 1puq h PRO 46 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1puq h PRO 46 CO 0.63 0.00 -1.80 0.39 -0.23 0.00 0.00 178.00 176.99 1puq n GLU 47 N -3.31 0.57 0.07 0.86 4.71 -1.26 -4.37 120.64 117.90 1puq n GLU 47 Ca 0.14 0.44 -0.06 0.00 -0.01 0.00 0.00 57.16 57.67 1puq n GLU 47 Cb 1.11 -1.64 -0.11 0.00 -1.01 0.00 0.00 31.44 29.80 1puq n GLU 47 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1puq h GLN 48 N -1.00 0.00 -0.64 3.49 4.20 -1.65 -2.96 115.11 116.55 1puq h GLN 48 Ca -0.50 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.33 1puq h GLN 48 Cb 1.43 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.13 1puq h GLN 48 CO -0.30 0.95 0.20 0.00 -0.67 0.00 0.00 178.83 179.01 1puq h ALA 49 N 1.04 0.82 0.00 3.87 0.00 0.22 0.48 119.26 125.69 1puq h ALA 49 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1puq h ALA 49 Cb 1.74 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1puq h ALA 49 CO 0.12 -0.24 -0.00 -0.39 0.00 0.00 0.00 179.25 178.74 1puq h VAL 50 N 0.35 1.64 -0.86 0.00 -1.51 -1.73 -2.54 116.25 111.61 1puq h VAL 50 Ca 0.34 -2.10 0.14 0.00 -1.23 0.00 0.00 66.70 63.84 1puq h VAL 50 Cb 0.47 3.04 -0.07 0.00 -2.13 0.00 0.00 31.29 32.61 1puq h VAL 50 CO -0.37 0.53 0.56 0.58 -1.23 0.00 0.00 177.57 177.64 1puq h VAL 51 N -0.93 0.85 0.02 7.19 2.07 -1.32 1.50 116.25 125.63 1puq h VAL 51 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1puq h VAL 51 Cb 0.88 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1puq h VAL 51 CO 0.00 0.12 -0.01 -0.09 0.02 0.00 0.00 177.57 177.61 1puq h ARG 52 N 0.67 -0.03 0.00 1.57 1.12 -0.15 -3.30 114.38 114.27 1puq h ARG 52 Ca 0.43 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.26 1puq h ARG 52 Cb 0.69 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1puq h ARG 52 CO -0.19 0.70 -0.17 0.93 -3.11 0.00 0.00 179.97 178.13 1puq h GLU 53 N -0.93 0.00 -0.64 0.20 4.39 -1.13 -2.94 114.58 113.54 1puq h GLU 53 Ca -0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1puq h GLU 53 Cb 0.74 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.31 1puq h GLU 53 CO 0.00 0.17 0.21 1.25 -1.16 0.00 0.00 179.01 179.49 1puq h LEU 54 N 0.00 0.17 -2.02 1.33 5.85 0.20 0.58 115.31 121.42 1puq h LEU 54 Ca -0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1puq h LEU 54 Cb 0.48 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1puq h LEU 54 CO 0.02 0.09 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.51 1puq h GLN 55 N 0.37 0.00 0.00 1.25 4.15 -1.63 0.04 115.11 119.29 1puq h GLN 55 Ca 0.33 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 1puq h GLN 55 Cb 0.45 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1puq h GLN 55 CO -0.36 0.09 -0.21 1.49 -1.93 0.00 0.00 178.83 177.91 1puq h GLU 56 N 0.00 0.00 -0.23 1.69 4.81 0.06 1.08 114.58 121.98 1puq h GLU 56 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1puq h GLU 56 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1puq h GLU 56 CO 0.01 0.21 0.00 0.39 -0.73 0.00 0.00 179.01 178.89 1puq n GLU 57 N -3.37 1.92 0.00 1.92 -0.58 -0.09 0.24 120.64 120.68 1puq n GLU 57 Ca 0.00 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 1puq n GLU 57 Cb 0.42 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1puq n VAL 58 N 0.80 0.00 0.00 2.62 0.31 -0.63 -4.08 118.33 117.34 1puq n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1puq n VAL 58 Cb 0.42 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1puq n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 59 N 1.98 0.76 0.00 2.92 0.00 0.37 -0.28 105.19 110.94 1puq n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1puq n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1puq n ILE 60 N 0.00 0.00 -3.69 -0.61 -6.64 -1.26 -4.89 119.36 102.26 1puq n ILE 60 Ca 0.00 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.61 1puq n ILE 60 Cb 0.00 -1.78 -0.09 0.00 -1.44 0.00 0.00 39.64 36.33 1puq n ILE 60 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1puq s THR 61 N -0.39 3.87 0.04 7.28 -4.23 -1.26 -4.98 115.64 115.96 1puq s THR 61 Ca 0.00 -3.05 0.03 0.00 -1.18 0.00 0.00 61.69 57.49 1puq s THR 61 Cb 0.00 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1puq s THR 61 CO 0.00 -0.91 0.02 -2.16 -0.54 0.00 0.00 174.62 171.03 1puq s PRO 62 N -0.21 2.76 -1.24 3.99 0.04 -1.26 -3.00 135.00 136.07 1puq s PRO 62 Ca 0.18 -0.68 -0.20 0.00 0.04 0.00 0.00 61.00 60.34 1puq s PRO 62 Cb -0.18 -2.66 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 1puq s PRO 62 CO -0.04 0.59 1.84 -0.65 0.04 0.00 0.00 177.00 178.77 1puq s GLN 63 N -1.95 3.23 -0.09 4.56 -0.21 0.19 -4.84 119.66 120.55 1puq s GLN 63 Ca 0.23 -1.59 0.03 0.00 0.02 0.00 0.00 55.36 54.06 1puq s GLN 63 Cb -0.12 -5.39 0.01 0.00 1.00 0.00 0.00 33.01 28.51 1puq s GLN 63 CO 0.15 -3.14 -0.18 -1.58 -2.12 0.00 0.00 175.29 168.42 1puq s HIS 64 N 7.68 2.09 0.00 0.91 2.46 -1.23 0.89 115.29 128.08 1puq s HIS 64 Ca 0.61 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 55.28 1puq s HIS 64 Cb 0.02 -1.45 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 1puq s HIS 64 CO 0.11 -0.39 0.00 0.34 -2.47 0.00 0.00 174.74 172.33 1puq n PHE 65 N 3.75 0.00 0.00 3.88 7.35 -1.08 -4.93 117.46 126.43 1puq n PHE 65 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1puq n PHE 65 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1puq n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1puq n SER 66 N 0.00 0.00 -4.15 -2.13 2.88 -1.23 -4.10 113.62 104.89 1puq n SER 66 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1puq n SER 66 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1puq n SER 66 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1puq s LEU 67 N -3.35 1.99 -0.01 2.46 0.05 -1.26 0.16 118.68 118.72 1puq s LEU 67 Ca 0.00 -0.53 -0.20 0.00 0.05 0.00 0.00 54.13 53.45 1puq s LEU 67 Cb 0.00 -1.31 -0.25 0.00 -2.05 0.00 0.00 46.19 42.58 1puq s LEU 67 CO 0.00 0.10 1.05 2.19 -0.55 0.00 0.00 176.35 179.14 1puq h PHE 68 N 7.06 0.59 -1.43 3.48 -5.15 -1.80 -3.42 116.94 116.28 1puq h PHE 68 Ca -0.27 -0.34 0.13 0.00 -0.20 0.00 0.00 57.97 57.29 1puq h PHE 68 Cb 1.21 -0.06 -0.28 0.00 0.22 0.00 0.00 35.95 37.04 1puq h PHE 68 CO 0.47 1.18 0.49 -1.21 -2.00 0.00 0.00 178.31 177.24 1puq s GLU 69 N -3.03 0.31 -0.04 6.09 2.02 -1.23 -5.01 118.70 117.81 1puq s GLU 69 Ca -0.13 0.51 0.02 0.00 0.02 0.00 0.00 54.97 55.38 1puq s GLU 69 Cb 0.03 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.35 1puq s GLU 69 CO 0.82 -0.06 -0.08 -1.59 0.02 0.00 0.00 175.26 174.38 1puq s LYS 70 N 1.08 1.05 0.14 1.61 -2.85 -1.26 -3.03 119.74 116.48 1puq s LYS 70 Ca -0.06 -0.24 0.07 0.00 -1.00 0.00 0.00 55.97 54.74 1puq s LYS 70 Cb -0.04 -0.96 -0.04 0.00 -2.06 0.00 0.00 37.83 34.73 1puq s LYS 70 CO -0.13 0.01 -0.16 -0.48 0.10 0.00 0.00 175.35 174.69 1puq s LEU 71 N 0.60 2.41 -0.21 2.77 -0.00 -0.79 -4.93 118.68 118.53 1puq s LEU 71 Ca -0.09 -0.82 -0.02 0.00 -0.00 0.00 0.00 54.13 53.19 1puq s LEU 71 Cb -0.13 -0.68 0.06 0.00 -0.00 0.00 0.00 46.19 45.44 1puq s LEU 71 CO 0.01 -0.09 0.01 -0.70 -0.00 0.00 0.00 176.35 175.58 1puq s GLU 72 N -2.68 0.95 0.12 1.48 2.12 -1.26 -2.23 118.70 117.20 1puq s GLU 72 Ca 0.12 -0.61 0.08 0.00 0.36 0.00 0.00 54.97 54.91 1puq s GLU 72 Cb -0.05 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1puq s GLU 72 CO 0.05 -0.64 -0.19 1.52 -0.54 0.00 0.00 175.26 175.46 1puq s TYR 73 N 1.71 1.71 -0.02 5.30 1.13 -1.17 -5.01 117.35 121.00 1puq s TYR 73 Ca -0.02 -0.45 0.08 0.00 -1.41 0.00 0.00 57.07 55.27 1puq s TYR 73 Cb -0.18 -0.91 -0.02 0.00 -1.10 0.00 0.00 41.96 39.75 1puq s TYR 73 CO -0.08 0.22 -0.26 -1.83 -2.51 0.00 0.00 175.55 171.10 1puq s GLU 74 N -2.21 2.08 0.29 -3.49 -1.05 -1.26 -2.31 118.70 110.76 1puq s GLU 74 Ca 0.08 -0.93 0.07 0.00 -0.15 0.00 0.00 54.97 54.04 1puq s GLU 74 Cb -0.08 -2.02 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 1puq s GLU 74 CO 0.05 0.55 0.32 -0.06 0.95 0.00 0.00 175.26 177.07 1puq s PHE 75 N -0.61 3.12 -0.71 4.83 0.40 0.42 -4.93 117.98 120.50 1puq s PHE 75 Ca 0.10 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 1puq s PHE 75 Cb -0.10 -1.69 -0.16 0.00 0.51 0.00 0.00 43.02 41.58 1puq s PHE 75 CO -0.01 0.28 1.80 -0.35 0.70 0.00 0.00 175.22 177.64 1puq n PRO 76 N -1.39 0.10 -0.34 0.24 -0.04 -1.26 0.41 135.00 132.72 1puq n PRO 76 Ca -0.04 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1puq n PRO 76 Cb 0.58 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1puq n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1puq n ASP 77 N 14.30 -1.03 -3.55 3.54 -0.08 -1.26 -4.95 116.55 123.51 1puq n ASP 77 Ca 0.30 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.29 1puq n ASP 77 Cb 0.46 -0.17 -0.13 0.00 2.34 0.00 0.00 41.12 43.61 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1puq s ARG 78 N -0.66 0.59 -0.86 -0.67 3.52 0.17 -2.13 118.95 118.91 1puq s ARG 78 Ca 0.00 -1.19 -0.22 0.00 -0.13 0.00 0.00 55.73 54.19 1puq s ARG 78 Cb 0.00 -1.51 0.08 0.00 -1.56 0.00 0.00 34.95 31.96 1puq s ARG 78 CO 0.00 -1.13 1.19 -1.58 -0.81 0.00 0.00 175.30 172.97 1puq s HIS 79 N 1.30 2.74 -0.39 5.12 2.46 0.25 0.16 115.29 126.93 1puq s HIS 79 Ca 0.15 -0.85 -0.17 0.00 0.47 0.00 0.00 55.06 54.66 1puq s HIS 79 Cb -0.21 -4.44 0.01 0.00 -0.13 0.00 0.00 32.58 27.81 1puq s HIS 79 CO -0.12 -1.73 0.42 -1.50 -2.47 0.00 0.00 174.74 169.34 1puq s ILE 80 N 4.04 5.11 -0.30 0.89 2.07 -0.98 0.13 121.20 132.17 1puq s ILE 80 Ca 0.34 -0.19 -0.12 0.00 -1.41 0.00 0.00 60.65 59.27 1puq s ILE 80 Cb -0.07 -3.97 -0.04 0.00 0.13 0.00 0.00 42.46 38.51 1puq s ILE 80 CO -0.01 -0.31 0.22 -0.89 -1.91 0.00 0.00 174.94 172.04 1puq s THR 81 N 2.11 5.29 -0.22 4.00 2.01 0.87 -3.07 115.64 126.63 1puq s THR 81 Ca 0.12 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1puq s THR 81 Cb -0.17 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1puq s THR 81 CO 0.13 0.16 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.32 1puq s LEU 82 N 1.78 2.81 -0.21 4.42 1.43 -0.95 0.12 118.68 128.08 1puq s LEU 82 Ca 0.07 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.07 1puq s LEU 82 Cb -0.16 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1puq s LEU 82 CO 0.11 -0.12 -0.02 0.26 0.23 0.00 0.00 176.35 176.81 1puq s TRP 83 N 1.21 2.99 -0.14 0.29 0.52 1.00 -1.88 118.94 122.93 1puq s TRP 83 Ca -0.03 -0.71 -0.04 0.00 0.02 0.00 0.00 56.10 55.33 1puq s TRP 83 Cb -0.17 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 1puq s TRP 83 CO -0.08 -0.41 0.01 -0.06 0.02 0.00 0.00 176.95 176.43 1puq s PHE 84 N 1.27 3.16 0.10 -1.98 0.40 -1.17 0.11 117.98 119.86 1puq s PHE 84 Ca 0.03 0.01 0.09 0.00 -0.60 0.00 0.00 56.93 56.46 1puq s PHE 84 Cb -0.14 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1puq s PHE 84 CO -0.00 0.22 -0.20 -1.58 0.70 0.00 0.00 175.22 174.36 1puq s TRP 85 N -0.11 2.50 0.10 0.36 0.52 0.33 -3.47 118.94 119.17 1puq s TRP 85 Ca 0.04 -0.29 -0.23 0.00 0.02 0.00 0.00 56.10 55.64 1puq s TRP 85 Cb -0.13 -1.36 -0.07 0.00 -1.15 0.00 0.00 33.47 30.76 1puq s TRP 85 CO 0.02 0.33 0.71 -1.17 0.02 0.00 0.00 176.95 176.86 1puq s LEU 86 N -1.90 4.53 0.06 2.99 2.96 0.43 -1.29 118.68 126.45 1puq s LEU 86 Ca 0.16 1.47 0.08 0.00 -0.22 0.00 0.00 54.13 55.61 1puq s LEU 86 Cb -0.10 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 1puq s LEU 86 CO 0.08 0.17 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.37 1puq s VAL 87 N -0.79 1.73 -0.10 1.68 1.01 -1.05 -2.62 120.40 120.25 1puq s VAL 87 Ca 0.34 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1puq s VAL 87 Cb -0.21 -1.52 -0.11 0.00 0.00 0.00 0.00 36.38 34.54 1puq s VAL 87 CO 0.23 0.17 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 1puq n GLU 88 N 1.68 1.98 -3.61 2.72 -0.58 -0.73 -3.76 120.64 118.33 1puq n GLU 88 Ca -0.18 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.49 1puq n GLU 88 Cb 0.53 -1.25 -0.02 0.00 -0.57 0.00 0.00 31.44 30.13 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1puq s ARG 89 N -2.24 1.27 -0.14 3.49 6.06 0.26 -4.56 118.95 123.08 1puq s ARG 89 Ca -0.07 -0.59 -0.06 0.00 -2.50 0.00 0.00 55.73 52.51 1puq s ARG 89 Cb 0.03 0.51 0.06 0.00 0.06 0.00 0.00 34.95 35.61 1puq s ARG 89 CO 0.37 -0.57 0.31 1.67 -2.50 0.00 0.00 175.30 174.59 1puq s TRP 90 N -3.54 -0.48 0.48 5.12 -2.14 -1.23 0.53 118.94 117.68 1puq s TRP 90 Ca 0.07 1.06 -0.20 0.00 2.66 0.00 0.00 56.10 59.68 1puq s TRP 90 Cb -0.02 0.12 -0.09 0.00 -3.10 0.00 0.00 33.47 30.38 1puq s TRP 90 CO -0.04 -0.32 1.01 -1.21 -2.66 0.00 0.00 176.95 173.72 1puq s GLU 91 N 1.74 3.92 6.50 3.25 2.02 -1.16 -4.83 118.70 130.14 1puq s GLU 91 Ca -0.06 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.17 1puq s GLU 91 Cb -0.10 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1puq s GLU 91 CO -0.10 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1puq n GLY 92 N -0.52 3.42 3.26 -1.39 0.00 -1.26 -4.57 105.19 104.14 1puq n GLY 92 Ca 0.08 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1puq n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1puq s GLU 93 N 0.00 2.35 0.03 1.61 2.02 -1.26 -5.11 118.70 118.34 1puq s GLU 93 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 53.80 1puq s GLU 93 Cb 0.00 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 1puq s GLU 93 CO 0.00 0.41 1.20 -2.14 0.02 0.00 0.00 175.26 174.75 1puq s PRO 94 N -0.26 4.41 0.13 0.39 0.02 -1.26 -4.72 135.00 133.71 1puq s PRO 94 Ca -0.00 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1puq s PRO 94 Cb -0.12 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1puq s PRO 94 CO 0.02 -0.30 0.00 -2.67 -0.33 0.00 0.00 177.00 173.72 1puq n TRP 95 N 4.24 -0.89 0.00 6.54 4.27 -0.03 -5.00 117.44 126.58 1puq n TRP 95 Ca 0.09 0.16 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 1puq n TRP 95 Cb 0.46 0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.70 1puq n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1puq n GLY 96 N 2.48 1.50 0.00 -1.67 0.00 0.62 -4.26 105.19 103.85 1puq n GLY 96 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1puq n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1puq n LYS 97 N 0.00 0.00 -0.16 1.61 4.76 0.67 -4.73 118.16 120.31 1puq n LYS 97 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1puq n LYS 97 Cb 0.00 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.24 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1puq h GLU 98 N 0.00 0.40 0.00 1.97 9.09 -1.74 -3.46 114.58 120.84 1puq h GLU 98 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1puq h GLU 98 Cb 0.00 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.01 1puq h GLU 98 CO 0.00 0.27 0.00 0.41 0.05 0.00 0.00 179.01 179.74 1puq n GLY 99 N -1.25 1.37 2.70 1.06 0.00 -1.26 -4.95 105.19 102.87 1puq n GLY 99 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1puq n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1puq s GLN 100 N 0.00 0.62 0.33 1.61 0.00 -1.26 -5.05 119.66 115.92 1puq s GLN 100 Ca 0.00 -0.94 -0.25 0.00 -0.00 0.00 0.00 55.36 54.17 1puq s GLN 100 Cb 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 33.01 31.01 1puq s GLN 100 CO 0.00 -0.97 0.51 -2.30 0.00 0.00 0.00 175.29 172.53 1puq n PRO 101 N 4.93 0.38 -4.40 9.60 -0.02 -1.26 -4.19 135.00 140.04 1puq n PRO 101 Ca -0.03 0.14 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 1puq n PRO 101 Cb 0.42 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.53 1puq n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1puq s GLY 102 N -0.92 2.37 0.12 -1.23 0.00 -1.26 -3.26 107.32 103.14 1puq s GLY 102 Ca 0.62 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1puq s GLY 102 CO 0.59 -1.67 -0.11 1.85 0.00 0.00 0.00 173.10 173.76 1puq s GLU 103 N -3.68 0.96 -0.48 2.90 2.12 -1.22 -4.94 118.70 114.36 1puq s GLU 103 Ca 0.31 -1.29 -0.28 0.00 0.36 0.00 0.00 54.97 54.07 1puq s GLU 103 Cb 0.03 -0.63 -0.00 0.00 0.26 0.00 0.00 34.13 33.79 1puq s GLU 103 CO 0.19 0.09 1.61 -1.58 -0.54 0.00 0.00 175.26 175.03 1puq s TRP 104 N -2.76 2.05 0.32 5.30 0.51 -1.26 -3.25 118.94 119.84 1puq s TRP 104 Ca 0.11 0.62 0.10 0.00 -2.12 0.00 0.00 56.10 54.81 1puq s TRP 104 Cb -0.01 -4.24 -0.06 0.00 -0.81 0.00 0.00 33.47 28.35 1puq s TRP 104 CO 0.01 -2.31 -0.13 0.00 -0.51 0.00 0.00 176.95 174.01 1puq s MET 105 N 5.74 1.75 -0.28 4.98 0.23 -0.22 -4.86 119.30 126.64 1puq s MET 105 Ca 0.65 -1.87 -0.28 0.00 -1.03 0.00 0.00 55.69 53.16 1puq s MET 105 Cb -0.15 -1.69 0.01 0.00 -1.53 0.00 0.00 34.83 31.48 1puq s MET 105 CO 0.28 0.20 1.03 0.45 -2.03 0.00 0.00 175.02 174.95 1puq s SER 106 N -3.56 6.96 0.59 -1.18 0.15 -1.26 0.16 113.70 115.56 1puq s SER 106 Ca 0.31 1.13 0.39 0.00 0.70 0.00 0.00 55.95 58.49 1puq s SER 106 Cb -0.00 -2.52 2.14 0.00 -1.71 0.00 0.00 66.02 63.93 1puq s SER 106 CO 0.16 -0.76 2.21 0.25 1.20 0.00 0.00 173.24 176.29 1puq h LEU 107 N 9.76 0.00 -1.28 3.45 7.12 -1.81 -1.95 115.31 130.60 1puq h LEU 107 Ca -0.20 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1puq h LEU 107 Cb 1.06 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1puq h LEU 107 CO 0.99 0.00 0.06 0.55 -0.13 0.00 0.00 178.44 179.91 1puq n VAL 108 N -2.89 0.98 -2.57 1.05 3.14 -1.26 -2.08 118.33 114.70 1puq n VAL 108 Ca -0.03 0.73 -0.18 0.00 -2.96 0.00 0.00 64.34 61.91 1puq n VAL 108 Cb 0.07 -1.73 0.02 0.00 -1.06 0.00 0.00 33.84 31.14 1puq n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1puq n GLY 109 N -1.30 3.69 3.74 7.55 0.00 -0.73 -5.00 105.19 113.13 1puq n GLY 109 Ca -0.01 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 1puq n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1puq s LEU 110 N -3.32 3.58 -0.59 0.99 2.96 -0.89 -4.99 118.68 116.41 1puq s LEU 110 Ca 0.37 2.51 -0.04 0.00 -0.22 0.00 0.00 54.13 56.75 1puq s LEU 110 Cb 0.43 -4.61 0.15 0.00 0.50 0.00 0.00 46.19 42.67 1puq s LEU 110 CO -0.07 -1.89 0.42 0.21 -1.32 0.00 0.00 176.35 173.70 1puq s ASN 111 N -1.54 5.41 0.52 3.68 3.84 -1.26 -4.89 114.94 120.71 1puq s ASN 111 Ca 0.80 -2.62 0.31 0.00 0.21 0.00 0.00 52.86 51.56 1puq s ASN 111 Cb -0.34 -1.89 1.13 0.00 -0.55 0.00 0.00 41.25 39.59 1puq s ASN 111 CO 0.38 -0.45 1.90 0.00 -2.79 0.00 0.00 177.10 176.14 1puq h ALA 112 N 7.39 1.00 0.09 1.71 0.00 -1.93 -2.66 119.26 124.87 1puq h ALA 112 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1puq h ALA 112 Cb 0.99 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1puq h ALA 112 CO 0.73 0.00 -0.65 0.22 0.00 0.00 0.00 179.25 179.55 1puq h ASP 113 N 0.00 0.41 -0.46 0.00 1.82 -1.92 -3.35 116.42 112.91 1puq h ASP 113 Ca 0.00 -0.92 -0.08 0.00 -0.39 0.00 0.00 57.03 55.64 1puq h ASP 113 Cb 0.62 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1puq h ASP 113 CO 0.00 1.29 -0.03 0.44 -1.61 0.00 0.00 179.24 179.33 1puq h ASP 114 N -0.41 0.83 -4.19 2.28 5.19 -1.88 -3.45 116.42 114.79 1puq h ASP 114 Ca -0.11 -0.33 -0.45 0.00 -0.62 0.00 0.00 57.03 55.52 1puq h ASP 114 Cb 1.48 -0.22 0.14 0.00 0.18 0.00 0.00 39.33 40.90 1puq h ASP 114 CO 0.12 0.96 0.38 0.72 -3.12 0.00 0.00 179.24 178.30 1puq s PHE 115 N -4.94 2.04 0.09 4.55 -0.71 -1.01 -3.49 117.98 114.51 1puq s PHE 115 Ca -0.12 0.54 -0.35 0.00 -1.04 0.00 0.00 56.93 55.97 1puq s PHE 115 Cb 0.11 -3.76 -0.14 0.00 -1.21 0.00 0.00 43.02 38.02 1puq s PHE 115 CO 0.82 -2.45 1.61 -0.35 -1.34 0.00 0.00 175.22 173.50 1puq n PRO 116 N -3.72 1.99 -0.14 1.99 -0.04 -1.26 -4.90 135.00 128.92 1puq n PRO 116 Ca 0.12 0.72 -0.10 0.00 -0.04 0.00 0.00 63.50 64.20 1puq n PRO 116 Cb 0.60 -2.48 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 1puq n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1puq h PRO 117 N 6.38 0.94 0.00 0.54 0.13 -1.86 -2.70 132.00 135.42 1puq h PRO 117 Ca -0.46 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1puq h PRO 117 Cb 1.27 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1puq h PRO 117 CO 0.89 1.04 0.00 0.00 -0.23 0.00 0.00 178.00 179.70 1puq n ALA 118 N -2.51 1.72 -0.94 -0.56 0.00 -1.26 -2.05 120.51 114.91 1puq n ALA 118 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1puq n ALA 118 Cb 0.44 -1.25 0.38 0.00 0.00 0.00 0.00 19.45 19.01 1puq n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1puq n ASN 119 N -1.48 5.39 0.11 0.00 4.13 -1.02 -4.53 115.26 117.86 1puq n ASN 119 Ca 0.04 -2.99 -0.03 0.00 1.68 0.00 0.00 54.58 53.28 1puq n ASN 119 Cb 0.18 -0.67 0.13 0.00 -1.54 0.00 0.00 39.78 37.87 1puq n ASN 119 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1puq h GLU 120 N 3.54 0.09 -1.22 3.52 5.08 -1.50 -3.32 114.58 120.77 1puq h GLU 120 Ca 0.03 -0.07 0.39 0.00 -1.00 0.00 0.00 59.36 58.71 1puq h GLU 120 Cb 1.95 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 31.08 1puq h GLU 120 CO 0.48 0.71 0.77 -1.35 -1.00 0.00 0.00 179.01 178.62 1puq h PRO 121 N 0.06 0.16 0.01 2.33 0.11 -1.85 1.19 132.00 134.02 1puq h PRO 121 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1puq h PRO 121 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1puq h PRO 121 CO 0.09 0.11 -0.01 0.28 -0.21 0.00 0.00 178.00 178.26 1puq h VAL 122 N 0.17 1.49 -0.31 3.15 2.07 -1.95 -3.34 116.25 117.52 1puq h VAL 122 Ca 0.77 -1.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 1puq h VAL 122 Cb 2.25 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 34.74 1puq h VAL 122 CO -0.42 0.47 -0.09 0.40 0.02 0.00 0.00 177.57 177.95 1puq h ILE 123 N -0.91 1.22 -0.45 4.57 1.08 -1.16 -2.29 117.51 119.57 1puq h ILE 123 Ca -0.00 -0.97 0.13 0.00 -0.39 0.00 0.00 64.86 63.63 1puq h ILE 123 Cb 0.79 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 1puq h ILE 123 CO 0.00 0.32 0.39 0.00 -0.69 0.00 0.00 178.15 178.17 1puq h ALA 124 N 1.42 2.26 0.00 1.87 0.00 0.12 1.92 119.26 126.85 1puq h ALA 124 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1puq h ALA 124 Cb 0.46 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1puq h ALA 124 CO 0.02 -0.62 -0.06 0.87 0.00 0.00 0.00 179.25 179.47 1puq h LYS 125 N 0.00 0.00 0.04 0.00 1.79 -1.54 -3.32 116.57 113.54 1puq h LYS 125 Ca 0.21 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.46 1puq h LYS 125 Cb 0.98 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 1puq h LYS 125 CO -0.00 0.70 -1.02 1.25 -1.08 0.00 0.00 179.45 179.29 1puq h LEU 126 N -1.00 0.26 -0.86 2.94 7.12 -1.33 -3.29 115.31 119.16 1puq h LEU 126 Ca -0.01 -0.25 0.13 0.00 0.13 0.00 0.00 57.88 57.88 1puq h LEU 126 Cb 0.72 -0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.68 1puq h LEU 126 CO -0.01 1.12 0.47 0.50 -0.13 0.00 0.00 178.44 180.40 1puq h LYS 127 N 0.08 0.69 0.00 1.25 3.64 0.28 0.97 116.57 123.48 1puq h LYS 127 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1puq h LYS 127 Cb 1.71 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1puq h LYS 127 CO 0.16 0.46 0.00 -2.13 -2.27 0.00 0.00 179.45 175.66 1puq n ARG 128 N -4.80 0.21 -0.13 1.90 0.63 -1.24 -4.84 116.66 108.38 1puq n ARG 128 Ca 0.16 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 1puq n ARG 128 Cb 0.38 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.79 1puq n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59