#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 4.05 -0.01 0.03 2.20 -1.20 -5.05 119.74 119.76 1puq s LYS 2 Ca 0.00 0.25 -0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1puq s LYS 2 Cb 0.00 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1puq s LYS 2 CO 0.00 -0.34 0.02 -1.59 -0.36 0.00 0.00 175.35 173.08 1puq s LYS 3 N 2.26 -0.02 -0.12 4.03 -2.85 -1.26 -0.18 119.74 121.61 1puq s LYS 3 Ca 0.20 0.12 -0.05 0.00 -1.00 0.00 0.00 55.97 55.24 1puq s LYS 3 Cb -0.16 -0.15 0.06 0.00 -2.06 0.00 0.00 37.83 35.52 1puq s LYS 3 CO 0.09 -0.10 0.24 -0.48 0.10 0.00 0.00 175.35 175.20 1puq s LEU 4 N 0.65 -0.12 0.09 2.77 0.05 0.23 -4.93 118.68 117.43 1puq s LEU 4 Ca -0.05 0.53 0.02 0.00 0.05 0.00 0.00 54.13 54.68 1puq s LEU 4 Cb -0.08 0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 44.65 1puq s LEU 4 CO -0.02 -0.23 0.16 -1.10 -0.55 0.00 0.00 176.35 174.61 1puq s GLN 5 N 2.17 3.15 -0.11 1.48 -0.21 -1.26 -1.00 119.66 123.89 1puq s GLN 5 Ca -0.01 -0.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.71 1puq s GLN 5 Cb -0.12 -2.86 0.05 0.00 1.00 0.00 0.00 33.01 31.08 1puq s GLN 5 CO -0.08 0.56 0.24 0.42 -2.12 0.00 0.00 175.29 174.32 1puq s ILE 6 N -1.53 -0.08 -0.11 1.08 1.09 0.43 -3.49 121.20 118.60 1puq s ILE 6 Ca 0.32 0.16 0.02 0.00 -1.10 0.00 0.00 60.65 60.05 1puq s ILE 6 Cb -0.12 -0.38 0.01 0.00 -1.06 0.00 0.00 42.46 40.91 1puq s ILE 6 CO 0.25 0.07 -0.15 0.00 -0.10 0.00 0.00 174.94 175.00 1puq s ALA 7 N 1.38 1.70 0.11 9.38 0.00 -1.24 -0.25 121.76 132.86 1puq s ALA 7 Ca -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1puq s ALA 7 Cb -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1puq s ALA 7 CO -0.08 -0.07 -0.02 0.14 0.00 0.00 0.00 175.76 175.73 1puq s VAL 8 N 0.97 0.49 -0.17 0.00 -7.23 0.20 -2.81 120.40 111.85 1puq s VAL 8 Ca -0.07 -1.92 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1puq s VAL 8 Cb -0.15 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 35.02 1puq s VAL 8 CO -0.01 -0.72 0.39 -0.83 -0.31 0.00 0.00 175.10 173.62 1puq s GLY 9 N -3.06 -0.31 -0.34 2.32 0.00 -1.07 0.15 107.32 105.02 1puq s GLY 9 Ca 0.16 1.46 -0.29 0.00 0.00 0.00 0.00 44.72 46.06 1puq s GLY 9 CO -0.02 1.79 1.63 -0.26 0.00 0.00 0.00 173.10 176.24 1puq s ILE 10 N 1.64 3.67 -0.11 0.90 -4.36 -1.08 -4.51 121.20 117.35 1puq s ILE 10 Ca -0.08 0.69 -0.29 0.00 -0.26 0.00 0.00 60.65 60.71 1puq s ILE 10 Cb -0.09 -3.85 -0.03 0.00 1.25 0.00 0.00 42.46 39.73 1puq s ILE 10 CO -0.12 -0.51 1.47 -0.63 0.24 0.00 0.00 174.94 175.39 1puq s ILE 11 N 6.08 3.91 -0.22 8.37 1.01 -1.26 -2.68 121.20 136.41 1puq s ILE 11 Ca 0.72 1.10 -0.26 0.00 0.00 0.00 0.00 60.65 62.20 1puq s ILE 11 Cb -0.20 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 1puq s ILE 11 CO 0.33 -0.11 0.91 -0.13 0.00 0.00 0.00 174.94 175.93 1puq s ARG 12 N 3.83 4.24 0.25 2.79 1.81 -1.24 -2.30 118.95 128.33 1puq s ARG 12 Ca 0.65 1.12 -0.04 0.00 -1.72 0.00 0.00 55.73 55.74 1puq s ARG 12 Cb -0.27 -3.62 0.06 0.00 -0.45 0.00 0.00 34.95 30.66 1puq s ARG 12 CO 0.23 -0.51 0.34 -1.71 -0.68 0.00 0.00 175.30 172.97 1puq n ASN 13 N 5.90 0.06 -0.11 0.23 4.05 0.50 -3.09 115.26 122.81 1puq n ASN 13 Ca 0.08 -1.14 0.10 0.00 0.45 0.00 0.00 54.58 54.07 1puq n ASN 13 Cb 0.47 -0.26 0.56 0.00 1.23 0.00 0.00 39.78 41.79 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1puq n GLU 14 N -1.71 1.15 -2.74 1.20 2.13 -1.26 -3.96 120.64 115.44 1puq n GLU 14 Ca 0.04 -0.22 -0.11 0.00 0.66 0.00 0.00 57.16 57.54 1puq n GLU 14 Cb 0.15 -1.34 0.02 0.00 0.27 0.00 0.00 31.44 30.55 1puq n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1puq n ASN 15 N -0.59 1.39 -1.78 4.31 5.15 -1.26 -4.94 115.26 117.54 1puq n ASN 15 Ca 0.16 -2.77 -0.07 0.00 -0.60 0.00 0.00 54.58 51.30 1puq n ASN 15 Cb 0.12 -0.54 -0.02 0.00 -0.53 0.00 0.00 39.78 38.81 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 -0.01 -2.13 -4.43 1.20 6.94 -1.25 -4.90 115.26 110.68 1puq n ASN 16 Ca 0.12 0.24 -0.31 0.00 -0.02 0.00 0.00 54.58 54.61 1puq n ASN 16 Cb 0.79 -2.06 -0.13 0.00 -2.36 0.00 0.00 39.78 36.02 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1puq s GLU 17 N -3.69 2.04 0.04 -3.83 -1.05 -1.26 -4.60 118.70 106.35 1puq s GLU 17 Ca 0.00 -0.99 0.07 0.00 -0.15 0.00 0.00 54.97 53.90 1puq s GLU 17 Cb 0.00 -2.15 -0.03 0.00 -0.44 0.00 0.00 34.13 31.51 1puq s GLU 17 CO 0.00 0.54 -0.18 0.42 0.95 0.00 0.00 175.26 176.99 1puq s ILE 18 N -0.88 2.81 -0.43 1.83 1.01 0.39 0.19 121.20 126.13 1puq s ILE 18 Ca 0.14 -1.18 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 1puq s ILE 18 Cb -0.10 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1puq s ILE 18 CO 0.04 0.34 0.72 0.12 0.00 0.00 0.00 174.94 176.15 1puq s PHE 19 N -0.93 3.05 -0.01 3.97 5.36 -0.97 -0.73 117.98 127.72 1puq s PHE 19 Ca 0.15 0.15 0.04 0.00 -0.96 0.00 0.00 56.93 56.31 1puq s PHE 19 Cb -0.10 -3.46 -0.03 0.00 -0.34 0.00 0.00 43.02 39.08 1puq s PHE 19 CO 0.05 -0.87 -0.13 0.96 -1.46 0.00 0.00 175.22 173.77 1puq s ILE 20 N 3.03 3.21 -0.25 3.12 -4.36 -1.25 -4.39 121.20 120.31 1puq s ILE 20 Ca 0.27 -0.86 -0.29 0.00 -0.26 0.00 0.00 60.65 59.51 1puq s ILE 20 Cb -0.13 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 1puq s ILE 20 CO 0.20 0.45 1.56 0.42 0.24 0.00 0.00 174.94 177.82 1puq s THR 21 N -0.88 3.77 -0.03 8.37 -4.23 0.14 -4.05 115.64 118.73 1puq s THR 21 Ca 0.14 0.86 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 1puq s THR 21 Cb -0.11 -3.80 -0.00 0.00 1.34 0.00 0.00 72.50 69.93 1puq s THR 21 CO 0.04 -0.35 -0.12 -0.60 -0.54 0.00 0.00 174.62 173.05 1puq s ARG 22 N 4.66 1.18 3.90 3.99 3.52 -1.26 0.33 118.95 135.28 1puq s ARG 22 Ca 0.69 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1puq s ARG 22 Cb -0.23 -1.08 0.00 0.00 -1.56 0.00 0.00 34.95 32.08 1puq s ARG 22 CO 0.29 0.17 0.00 0.54 -0.81 0.00 0.00 175.30 175.49 1puq n ARG 23 N 3.18 0.00 -3.69 5.12 1.74 -1.21 -4.82 116.66 116.98 1puq n ARG 23 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1puq n ARG 23 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1puq n ALA 24 N 10.02 0.00 0.10 7.54 0.00 -1.26 -4.71 120.51 132.20 1puq n ALA 24 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1puq n ALA 24 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.73 -4.21 0.00 0.00 -1.89 -3.47 119.26 110.42 1puq h ALA 25 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 54.91 53.95 1puq h ALA 25 Cb 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1puq h ALA 25 CO 0.00 0.86 -0.30 -0.40 0.00 0.00 0.00 179.25 179.41 1puq n ASP 26 N -3.72 -0.39 0.00 0.00 5.68 -1.26 -5.12 116.55 111.74 1puq n ASP 26 Ca -0.02 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1puq n ASP 26 Cb 0.71 1.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.75 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1puq n ALA 27 N -1.55 0.00 -1.42 2.12 0.00 -1.26 -4.80 120.51 113.61 1puq n ALA 27 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1puq n ALA 27 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1puq n ALA 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1puq n HIS 28 N 0.00 0.00 -2.37 0.00 1.44 -1.26 -4.90 115.22 108.12 1puq n HIS 28 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 1puq n HIS 28 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 1puq n HIS 28 CO 0.00 0.00 0.00 -0.12 -2.81 0.00 0.00 176.34 173.41 1puq n MET 29 N -0.80 -2.40 0.29 -1.40 0.00 -1.26 -4.34 117.12 107.20 1puq n MET 29 Ca 0.00 0.39 0.18 0.00 0.00 0.00 0.00 57.70 58.27 1puq n MET 29 Cb 0.00 -4.93 0.98 0.00 0.00 0.00 0.00 33.22 29.28 1puq n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1puq h ALA 30 N 1.02 1.42 -0.87 -5.12 0.00 -1.92 -0.66 119.26 113.12 1puq h ALA 30 Ca -0.19 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.27 1puq h ALA 30 Cb 1.10 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.62 1puq h ALA 30 CO 0.23 -0.10 0.57 -1.71 0.00 0.00 0.00 179.25 178.23 1puq n ASN 31 N -3.52 3.70 -0.89 0.00 5.15 -1.26 -4.26 115.26 114.17 1puq n ASN 31 Ca -0.02 -3.41 0.02 0.00 -0.60 0.00 0.00 54.58 50.57 1puq n ASN 31 Cb 0.16 -0.80 0.21 0.00 -0.53 0.00 0.00 39.78 38.83 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1puq n LYS 32 N -0.92 2.02 -1.56 1.20 3.00 -0.26 -4.32 118.16 117.31 1puq n LYS 32 Ca 0.52 -3.03 -0.32 0.00 -0.00 0.00 0.00 58.31 55.48 1puq n LYS 32 Cb 1.53 -1.76 -0.08 0.00 0.00 0.00 0.00 35.03 34.72 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 -1.01 2.88 0.00 3.14 0.00 -1.24 -4.35 117.00 116.42 1puq n LEU 33 Ca 0.26 -2.81 0.00 0.00 0.00 0.00 0.00 56.01 53.46 1puq n LEU 33 Cb 0.91 -1.42 0.00 0.00 0.00 0.00 0.00 43.42 42.91 1puq n LEU 33 CO 0.13 -1.70 0.00 -0.62 0.00 0.00 0.00 177.39 175.20 1puq n GLU 34 N 7.86 2.14 -4.55 1.96 4.71 0.15 -4.15 120.64 128.77 1puq n GLU 34 Ca 0.46 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 57.34 1puq n GLU 34 Cb 0.44 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.77 1puq n GLU 34 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1puq s PHE 35 N -0.69 2.50 0.80 -0.32 0.40 -1.26 0.26 117.98 119.67 1puq s PHE 35 Ca 0.00 -0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 1puq s PHE 35 Cb 0.00 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.92 1puq s PHE 35 CO 0.00 0.46 1.13 -1.25 0.70 0.00 0.00 175.22 176.26 1puq s PRO 36 N -3.70 2.09 0.00 0.24 0.04 -1.26 -4.43 135.00 127.98 1puq s PRO 36 Ca 0.35 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1puq s PRO 36 Cb 0.07 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1puq s PRO 36 CO 0.18 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1puq n GLY 37 N -2.70 0.34 3.76 0.56 0.00 -1.25 -2.59 105.19 103.30 1puq n GLY 37 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.50 2.89 0.00 -0.02 0.00 -1.12 -3.34 107.32 104.23 1puq s GLY 38 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.06 1puq s GLY 38 CO 0.00 1.88 0.00 1.17 0.00 0.00 0.00 173.10 176.15 1puq n LYS 39 N -0.73 0.00 0.20 2.90 4.81 -1.26 -4.93 118.16 119.15 1puq n LYS 39 Ca 0.08 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.68 1puq n LYS 39 Cb 0.44 -1.55 0.78 0.00 0.02 0.00 0.00 35.03 34.72 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 0.65 0.00 3.15 3.07 -1.76 -3.21 117.51 119.41 1puq h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1puq h ILE 40 Cb 0.00 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 37.44 1puq h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.26 1puq n GLU 41 N -4.08 0.00 0.00 0.16 -0.00 -1.23 -4.31 120.64 111.19 1puq n GLU 41 Ca 0.01 0.51 0.00 0.00 -0.00 0.00 0.00 57.16 57.68 1puq n GLU 41 Cb 0.26 -0.94 0.00 0.00 -0.00 0.00 0.00 31.44 30.76 1puq n GLU 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1puq n MET 42 N -1.33 0.00 -0.89 3.44 2.81 -1.21 -3.07 117.12 116.87 1puq n MET 42 Ca 0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1puq n MET 42 Cb 0.00 0.00 0.00 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 -0.60 0.00 3.03 0.00 -1.26 -5.13 105.19 101.23 1puq n GLY 43 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.03 1.24 -3.86 1.61 4.71 -1.17 -5.08 120.64 118.05 1puq n GLU 44 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.87 1puq n GLU 44 Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.76 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 0.62 5.29 0.61 2.62 2.01 -1.26 -4.75 115.64 120.78 1puq s THR 45 Ca 0.00 -0.55 0.26 0.00 0.31 0.00 0.00 61.69 61.71 1puq s THR 45 Cb 0.00 -3.73 0.36 0.00 0.01 0.00 0.00 72.50 69.14 1puq s THR 45 CO 0.00 -0.10 1.47 1.55 -0.69 0.00 0.00 174.62 176.85 1puq h PRO 46 N 2.18 0.00 0.00 4.92 0.13 -1.99 1.61 132.00 138.85 1puq h PRO 46 Ca -0.48 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.22 1puq h PRO 46 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1puq h PRO 46 CO 0.69 0.00 -2.35 -1.91 -0.23 0.00 0.00 178.00 174.20 1puq n GLU 47 N -3.30 0.59 0.00 0.86 4.07 -1.26 -4.46 120.64 117.13 1puq n GLU 47 Ca 0.17 0.31 0.14 0.00 -0.06 0.00 0.00 57.16 57.72 1puq n GLU 47 Cb 1.22 -1.53 0.63 0.00 -0.06 0.00 0.00 31.44 31.70 1puq n GLU 47 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1puq n GLN 48 N -4.26 0.12 0.36 5.31 1.13 -0.52 -3.08 117.38 116.44 1puq n GLN 48 Ca -0.51 -0.01 -0.17 0.00 -1.94 0.00 0.00 57.00 54.37 1puq n GLN 48 Cb 0.86 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.62 1puq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1puq h ALA 49 N 3.11 -0.91 0.06 -1.58 0.00 0.21 -1.84 119.26 118.31 1puq h ALA 49 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1puq h ALA 49 Cb 0.45 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1puq h ALA 49 CO 0.00 -0.97 -0.45 -0.24 0.00 0.00 0.00 179.25 177.58 1puq h VAL 50 N -0.99 1.59 -1.00 0.00 3.04 -1.78 -2.60 116.25 114.51 1puq h VAL 50 Ca -0.09 -2.31 0.21 0.00 -1.01 0.00 0.00 66.70 63.50 1puq h VAL 50 Cb 0.72 3.09 -0.10 0.00 -2.01 0.00 0.00 31.29 32.99 1puq h VAL 50 CO 0.15 0.64 0.62 0.58 -1.01 0.00 0.00 177.57 178.55 1puq h VAL 51 N -0.54 0.66 0.01 1.51 2.07 -1.64 2.03 116.25 120.36 1puq h VAL 51 Ca -0.07 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1puq h VAL 51 Cb 1.30 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1puq h VAL 51 CO 0.09 0.12 -0.01 0.03 0.02 0.00 0.00 177.57 177.82 1puq h ARG 52 N 0.65 -0.02 0.00 1.57 3.08 -1.43 -3.31 114.38 114.92 1puq h ARG 52 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.63 1puq h ARG 52 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1puq h ARG 52 CO -0.35 0.73 0.00 0.93 -1.07 0.00 0.00 179.97 180.20 1puq h GLU 53 N -0.96 0.00 -0.46 0.04 4.39 -1.03 -3.07 114.58 113.49 1puq h GLU 53 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1puq h GLU 53 Cb 0.75 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1puq h GLU 53 CO 0.00 0.00 0.27 1.25 -1.16 0.00 0.00 179.01 179.37 1puq h LEU 54 N 0.00 0.43 -1.58 1.33 5.85 0.32 -0.58 115.31 121.08 1puq h LEU 54 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1puq h LEU 54 Cb 0.47 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1puq h LEU 54 CO 0.00 0.31 -0.22 1.56 -0.34 0.00 0.00 178.44 179.75 1puq h GLN 55 N 0.54 0.00 0.00 1.25 7.50 -1.66 -1.58 115.11 121.16 1puq h GLN 55 Ca 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.31 1puq h GLN 55 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.55 1puq h GLN 55 CO -0.09 0.22 -0.13 1.49 -1.50 0.00 0.00 178.83 178.82 1puq h GLU 56 N 0.00 0.00 -0.25 1.46 4.22 -1.17 1.53 114.58 120.36 1puq h GLU 56 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1puq h GLU 56 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1puq h GLU 56 CO 0.03 0.13 0.00 0.39 -2.18 0.00 0.00 179.01 177.38 1puq n GLU 57 N -3.60 2.00 0.00 1.92 4.71 -0.63 0.10 120.64 125.14 1puq n GLU 57 Ca -0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 57.16 55.33 1puq n GLU 57 Cb 0.26 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1puq n VAL 58 N 0.76 0.00 0.00 2.62 0.31 -0.97 -3.93 118.33 117.12 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 0.41 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 2.08 0.76 1.08 2.92 0.00 0.52 0.40 105.19 112.94 1puq n GLY 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.73 -0.61 -6.64 -1.26 -4.89 119.36 102.23 1puq n ILE 60 Ca 0.00 -0.25 -0.36 0.00 -1.77 0.00 0.00 62.75 60.37 1puq n ILE 60 Cb 0.00 -1.70 -0.10 0.00 -1.44 0.00 0.00 39.64 36.41 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 -1.78 3.69 0.08 7.28 -4.23 -1.26 -5.00 115.64 114.42 1puq s THR 61 Ca 0.21 -3.15 0.04 0.00 -1.18 0.00 0.00 61.69 57.62 1puq s THR 61 Cb -0.01 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1puq s THR 61 CO 0.15 -0.90 0.01 -2.16 -0.54 0.00 0.00 174.62 171.18 1puq s PRO 62 N -0.29 2.61 -1.25 3.99 0.04 -1.26 -3.14 135.00 135.70 1puq s PRO 62 Ca 0.18 -0.80 -0.19 0.00 0.04 0.00 0.00 61.00 60.23 1puq s PRO 62 Cb -0.19 -2.57 0.04 0.00 0.04 0.00 0.00 34.50 31.82 1puq s PRO 62 CO -0.04 0.55 1.75 -1.14 0.04 0.00 0.00 177.00 178.16 1puq s GLN 63 N -2.22 3.64 -0.05 4.56 0.74 -0.49 -4.85 119.66 121.00 1puq s GLN 63 Ca 0.25 -1.73 0.04 0.00 0.05 0.00 0.00 55.36 53.98 1puq s GLN 63 Cb -0.12 -5.46 -0.00 0.00 1.10 0.00 0.00 33.01 28.53 1puq s GLN 63 CO 0.18 -2.60 -0.18 -1.58 -0.55 0.00 0.00 175.29 170.56 1puq s HIS 64 N 5.69 1.76 -0.01 1.67 2.46 -1.24 0.27 115.29 125.89 1puq s HIS 64 Ca 0.56 -0.52 0.00 0.00 0.47 0.00 0.00 55.06 55.57 1puq s HIS 64 Cb 0.03 -1.19 0.00 0.00 -0.13 0.00 0.00 32.58 31.29 1puq s HIS 64 CO 0.07 -0.18 0.00 0.34 -2.47 0.00 0.00 174.74 172.50 1puq n PHE 65 N 3.17 0.00 -0.89 3.88 7.35 -1.25 -4.95 117.46 124.77 1puq n PHE 65 Ca -0.18 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.61 1puq n PHE 65 Cb 0.53 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 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 -4.76 -3.71 -2.13 2.88 -1.24 -2.15 113.62 102.50 1puq n SER 66 Ca 0.00 0.42 -0.16 0.00 -1.33 0.00 0.00 58.87 57.80 1puq n SER 66 Cb 0.00 -2.89 -0.16 0.00 -0.75 0.00 0.00 64.21 60.41 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 -4.76 0.44 -0.10 2.46 0.05 -1.26 -0.93 118.68 114.58 1puq s LEU 67 Ca 0.00 0.20 -0.26 0.00 0.05 0.00 0.00 54.13 54.13 1puq s LEU 67 Cb 0.00 0.13 -0.22 0.00 -2.05 0.00 0.00 46.19 44.05 1puq s LEU 67 CO 0.00 -0.19 0.84 0.15 -0.55 0.00 0.00 176.35 176.59 1puq h PHE 68 N 7.85 -0.02 -1.41 3.48 3.04 -1.45 -3.41 116.94 125.01 1puq h PHE 68 Ca -0.28 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 61.80 1puq h PHE 68 Cb 1.12 0.01 -0.29 0.00 2.56 0.00 0.00 35.95 39.36 1puq h PHE 68 CO 0.46 0.74 0.50 -1.21 -2.02 0.00 0.00 178.31 176.77 1puq s GLU 69 N -2.75 0.30 -0.23 1.11 2.02 -1.06 -5.02 118.70 113.07 1puq s GLU 69 Ca -0.16 0.49 -0.05 0.00 0.02 0.00 0.00 54.97 55.27 1puq s GLU 69 Cb -0.01 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.28 1puq s GLU 69 CO 0.62 -0.06 -0.00 -1.59 0.02 0.00 0.00 175.26 174.24 1puq s LYS 70 N 1.08 3.41 -0.25 1.61 0.00 -1.26 -2.30 119.74 122.03 1puq s LYS 70 Ca -0.07 -0.61 -0.11 0.00 0.00 0.00 0.00 55.97 55.18 1puq s LYS 70 Cb -0.04 -3.12 -0.05 0.00 0.00 0.00 0.00 37.83 34.63 1puq s LYS 70 CO -0.13 -0.22 0.18 -1.17 0.00 0.00 0.00 175.35 174.01 1puq s LEU 71 N 1.51 4.09 -0.25 2.77 2.96 0.11 -4.96 118.68 124.92 1puq s LEU 71 Ca 0.06 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1puq s LEU 71 Cb -0.15 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.47 1puq s LEU 71 CO -0.01 0.02 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.26 1puq s GLU 72 N 1.27 1.94 -0.02 1.98 2.12 -1.26 -1.15 118.70 123.57 1puq s GLU 72 Ca 0.08 -1.21 -0.02 0.00 0.36 0.00 0.00 54.97 54.18 1puq s GLU 72 Cb -0.14 -2.77 0.01 0.00 0.26 0.00 0.00 34.13 31.49 1puq s GLU 72 CO 0.06 -0.60 0.06 1.52 -0.54 0.00 0.00 175.26 175.76 1puq s TYR 73 N 1.22 -0.05 -0.13 5.30 1.13 -1.18 -5.05 117.35 118.59 1puq s TYR 73 Ca -0.07 0.17 0.02 0.00 -1.41 0.00 0.00 57.07 55.79 1puq s TYR 73 Cb -0.19 -0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.65 1puq s TYR 73 CO -0.06 -0.05 -0.20 -1.83 -2.51 0.00 0.00 175.55 170.90 1puq s GLU 74 N 0.29 2.83 0.82 -3.49 -1.05 -1.26 -2.58 118.70 114.26 1puq s GLU 74 Ca -0.02 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 53.90 1puq s GLU 74 Cb -0.03 -2.30 0.08 0.00 -0.44 0.00 0.00 34.13 31.44 1puq s GLU 74 CO -0.01 -0.02 1.09 -0.06 0.95 0.00 0.00 175.26 177.21 1puq s PHE 75 N 0.85 2.61 0.56 4.83 0.40 0.39 -4.85 117.98 122.77 1puq s PHE 75 Ca -0.07 1.30 0.38 0.00 -0.60 0.00 0.00 56.93 57.94 1puq s PHE 75 Cb -0.15 -3.10 1.31 0.00 0.51 0.00 0.00 43.02 41.59 1puq s PHE 75 CO -0.02 -1.96 1.39 -0.35 0.70 0.00 0.00 175.22 174.98 1puq n PRO 76 N -3.59 0.01 0.00 0.24 -0.04 -1.26 -2.99 135.00 127.37 1puq n PRO 76 Ca 0.07 1.02 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 1puq n PRO 76 Cb 0.55 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1puq n PRO 76 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1puq n ASP 77 N -3.54 0.05 -4.51 3.54 5.68 -1.26 -5.03 116.55 111.48 1puq n ASP 77 Ca 0.34 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 54.20 1puq n ASP 77 Cb 1.74 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 41.68 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1puq s ARG 78 N -1.01 3.26 -0.62 0.11 3.52 -1.16 -3.22 118.95 119.82 1puq s ARG 78 Ca 0.00 -0.41 -0.21 0.00 -0.13 0.00 0.00 55.73 54.98 1puq s ARG 78 Cb 0.00 -4.12 0.08 0.00 -1.56 0.00 0.00 34.95 29.36 1puq s ARG 78 CO 0.00 -1.67 0.84 -1.58 -0.81 0.00 0.00 175.30 172.08 1puq s HIS 79 N 4.22 2.83 -0.00 5.12 5.65 0.75 0.15 115.29 134.01 1puq s HIS 79 Ca 0.29 -0.72 -0.01 0.00 0.25 0.00 0.00 55.06 54.86 1puq s HIS 79 Cb -0.13 -4.15 -0.04 0.00 -1.18 0.00 0.00 32.58 27.08 1puq s HIS 79 CO 0.16 -1.47 0.14 -1.50 -0.65 0.00 0.00 174.74 171.42 1puq s ILE 80 N 3.42 5.13 -0.10 0.89 2.07 -1.07 0.77 121.20 132.32 1puq s ILE 80 Ca 0.17 -0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1puq s ILE 80 Cb -0.20 -3.39 0.03 0.00 0.13 0.00 0.00 42.46 39.03 1puq s ILE 80 CO 0.09 0.32 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.53 1puq s THR 81 N -1.29 0.53 -0.22 4.00 2.01 -0.17 -3.09 115.64 117.42 1puq s THR 81 Ca 0.26 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1puq s THR 81 Cb -0.12 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.73 1puq s THR 81 CO 0.17 0.22 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.43 1puq s LEU 82 N 1.90 2.74 -0.22 4.42 1.43 -0.30 0.16 118.68 128.82 1puq s LEU 82 Ca 0.04 -1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 52.05 1puq s LEU 82 Cb -0.13 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1puq s LEU 82 CO -0.06 -0.12 -0.00 0.26 0.23 0.00 0.00 176.35 176.65 1puq s TRP 83 N 1.24 3.01 -0.30 0.29 0.52 0.66 0.09 118.94 124.44 1puq s TRP 83 Ca -0.03 -0.63 -0.08 0.00 0.02 0.00 0.00 56.10 55.38 1puq s TRP 83 Cb -0.17 -2.12 0.01 0.00 -1.15 0.00 0.00 33.47 30.04 1puq s TRP 83 CO -0.08 -0.38 0.10 -0.06 0.02 0.00 0.00 176.95 176.55 1puq s PHE 84 N 1.29 3.16 0.13 -1.98 0.40 -0.97 0.61 117.98 120.63 1puq s PHE 84 Ca 0.04 -0.89 -0.07 0.00 -0.60 0.00 0.00 56.93 55.41 1puq s PHE 84 Cb -0.15 -2.29 -0.06 0.00 0.51 0.00 0.00 43.02 41.04 1puq s PHE 84 CO 0.00 -0.55 0.41 -1.58 0.70 0.00 0.00 175.22 174.20 1puq s TRP 85 N 1.53 3.50 -0.51 0.36 0.52 0.39 -1.40 118.94 123.33 1puq s TRP 85 Ca 0.03 0.69 -0.17 0.00 0.02 0.00 0.00 56.10 56.67 1puq s TRP 85 Cb -0.17 -2.10 0.09 0.00 -1.15 0.00 0.00 33.47 30.14 1puq s TRP 85 CO 0.04 0.44 0.50 -1.17 0.02 0.00 0.00 176.95 176.78 1puq s LEU 86 N -2.41 5.68 0.31 2.99 1.98 -0.10 -2.63 118.68 124.49 1puq s LEU 86 Ca 0.39 -1.43 -0.22 0.00 -2.89 0.00 0.00 54.13 49.98 1puq s LEU 86 Cb -0.13 -2.25 -0.09 0.00 0.66 0.00 0.00 46.19 44.38 1puq s LEU 86 CO 0.22 -0.81 0.86 -0.69 -1.89 0.00 0.00 176.35 174.03 1puq s VAL 87 N 1.91 4.39 -0.02 1.68 1.01 -1.09 -3.71 120.40 124.56 1puq s VAL 87 Ca 0.06 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.62 1puq s VAL 87 Cb -0.25 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1puq s VAL 87 CO 0.06 0.07 0.09 -0.62 0.00 0.00 0.00 175.10 174.70 1puq n GLU 88 N 0.35 1.23 -3.62 2.72 1.02 -1.08 -3.60 120.64 117.67 1puq n GLU 88 Ca 0.01 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 1puq n GLU 88 Cb 0.51 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1puq s ARG 89 N -2.30 1.32 -0.25 3.49 3.52 0.14 -4.54 118.95 120.32 1puq s ARG 89 Ca -0.02 -0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 54.85 1puq s ARG 89 Cb 0.03 0.52 0.10 0.00 -1.56 0.00 0.00 34.95 34.04 1puq s ARG 89 CO 0.23 -0.59 0.58 1.67 -0.81 0.00 0.00 175.30 176.38 1puq s TRP 90 N -3.59 -1.04 0.40 5.12 -2.14 -1.23 -1.39 118.94 115.07 1puq s TRP 90 Ca 0.07 1.96 -0.24 0.00 2.66 0.00 0.00 56.10 60.55 1puq s TRP 90 Cb -0.02 0.58 -0.09 0.00 -3.10 0.00 0.00 33.47 30.83 1puq s TRP 90 CO -0.04 -0.54 1.05 -1.21 -2.66 0.00 0.00 176.95 173.55 1puq s GLU 91 N 2.25 4.14 6.19 3.25 2.02 -1.19 -4.81 118.70 130.55 1puq s GLU 91 Ca -0.07 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.43 1puq s GLU 91 Cb -0.09 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1puq s GLU 91 CO -0.17 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1puq n GLY 92 N 0.30 3.36 3.29 -1.39 0.00 -1.26 -4.57 105.19 104.91 1puq n GLY 92 Ca 0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 1.86 0.08 1.61 2.02 -1.26 -5.12 118.70 117.89 1puq s GLU 93 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 54.97 53.77 1puq s GLU 93 Cb 0.00 -1.87 -0.06 0.00 0.10 0.00 0.00 34.13 32.31 1puq s GLU 93 CO 0.00 0.50 1.13 -2.14 0.02 0.00 0.00 175.26 174.77 1puq s PRO 94 N -0.77 4.50 0.10 0.39 0.02 -1.26 -4.67 135.00 133.31 1puq s PRO 94 Ca 0.10 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1puq s PRO 94 Cb -0.09 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1puq s PRO 94 CO -0.00 -0.13 0.00 -2.67 -0.33 0.00 0.00 177.00 173.87 1puq n TRP 95 N 3.52 -0.76 0.00 6.54 4.27 0.16 -4.93 117.44 126.24 1puq n TRP 95 Ca 0.07 0.13 0.00 0.00 -3.89 0.00 0.00 57.50 53.81 1puq n TRP 95 Cb 0.47 0.37 0.00 0.00 -1.36 0.00 0.00 31.31 30.79 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 2.15 0.51 0.00 -1.67 0.00 0.12 -3.71 105.19 102.59 1puq n GLY 96 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1puq n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1puq n LYS 97 N 0.00 0.00 -0.24 1.61 4.81 0.28 -4.70 118.16 119.93 1puq n LYS 97 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1puq n LYS 97 Cb 0.00 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.16 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1puq h GLU 98 N 0.00 0.64 0.00 1.64 -0.00 -1.75 -3.46 114.58 111.65 1puq h GLU 98 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1puq h GLU 98 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 28.61 1puq h GLU 98 CO 0.00 0.42 0.00 0.41 -0.00 0.00 0.00 179.01 179.84 1puq n GLY 99 N -1.29 1.29 3.54 1.06 0.00 -1.26 -5.02 105.19 103.51 1puq n GLY 99 Ca 0.09 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 3.43 0.41 1.61 0.00 -1.26 -4.98 119.66 118.88 1puq s GLN 100 Ca 0.00 -0.18 -0.22 0.00 -0.00 0.00 0.00 55.36 54.96 1puq s GLN 100 Cb 0.00 -3.90 -0.14 0.00 0.00 0.00 0.00 33.01 28.97 1puq s GLN 100 CO 0.00 -0.94 0.34 -2.30 0.00 0.00 0.00 175.29 172.39 1puq n PRO 101 N 6.27 0.29 -4.64 9.60 -0.02 -1.26 -4.26 135.00 140.99 1puq n PRO 101 Ca -0.01 0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.29 1puq n PRO 101 Cb 0.48 -1.27 -0.08 0.00 -0.02 0.00 0.00 33.50 32.61 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 -0.98 2.78 0.05 -1.23 0.00 -1.26 -4.08 107.32 102.60 1puq s GLY 102 Ca 0.62 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 44.40 1puq s GLY 102 CO 0.60 -2.03 -0.04 -0.54 0.00 0.00 0.00 173.10 171.09 1puq s GLU 103 N -3.80 0.57 -0.32 2.90 2.02 -1.26 -4.96 118.70 113.85 1puq s GLU 103 Ca 0.16 -1.08 -0.27 0.00 0.02 0.00 0.00 54.97 53.80 1puq s GLU 103 Cb 0.03 0.10 -0.06 0.00 0.10 0.00 0.00 34.13 34.31 1puq s GLU 103 CO 0.09 -0.08 2.28 -1.58 0.02 0.00 0.00 175.26 175.99 1puq s TRP 104 N -3.21 1.14 0.32 1.61 0.51 -1.26 -3.77 118.94 114.29 1puq s TRP 104 Ca 0.02 0.90 0.10 0.00 -2.12 0.00 0.00 56.10 55.00 1puq s TRP 104 Cb 0.03 -3.81 -0.06 0.00 -0.81 0.00 0.00 33.47 28.82 1puq s TRP 104 CO -0.07 -3.52 -0.13 -1.64 -0.51 0.00 0.00 176.95 171.08 1puq s MET 105 N 7.01 1.77 -0.35 4.98 -1.94 0.09 -4.90 119.30 125.96 1puq s MET 105 Ca 0.99 -1.88 -0.24 0.00 -1.71 0.00 0.00 55.69 52.85 1puq s MET 105 Cb -0.27 -1.72 0.01 0.00 2.01 0.00 0.00 34.83 34.86 1puq s MET 105 CO 0.32 0.20 0.84 0.45 -0.01 0.00 0.00 175.02 176.82 1puq s SER 106 N -3.58 6.62 0.49 3.03 0.15 -1.26 0.15 113.70 119.30 1puq s SER 106 Ca 0.32 0.50 0.32 0.00 0.70 0.00 0.00 55.95 57.78 1puq s SER 106 Cb 0.00 -2.42 1.33 0.00 -1.71 0.00 0.00 66.02 63.21 1puq s SER 106 CO 0.16 -0.76 1.94 0.25 1.20 0.00 0.00 173.24 176.03 1puq h LEU 107 N 9.81 0.00 -1.26 3.45 7.12 -1.82 -2.95 115.31 129.66 1puq h LEU 107 Ca -0.24 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.77 1puq h LEU 107 Cb 1.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1puq h LEU 107 CO 0.93 0.00 0.10 0.55 -0.13 0.00 0.00 178.44 179.89 1puq n VAL 108 N -2.88 0.90 -2.84 1.05 3.14 -1.26 -2.43 118.33 114.01 1puq n VAL 108 Ca 0.01 0.74 -0.13 0.00 -2.96 0.00 0.00 64.34 62.00 1puq n VAL 108 Cb 0.27 -1.74 0.01 0.00 -1.06 0.00 0.00 33.84 31.32 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 -1.29 2.43 3.74 7.55 0.00 -1.11 -5.04 105.19 111.47 1puq n GLY 109 Ca -0.01 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.91 3.57 -0.77 0.99 0.20 -1.02 -4.95 118.68 113.79 1puq s LEU 110 Ca 0.32 2.50 -0.17 0.00 0.69 0.00 0.00 54.13 57.48 1puq s LEU 110 Cb 0.42 -4.61 0.15 0.00 -0.43 0.00 0.00 46.19 41.73 1puq s LEU 110 CO -0.01 -1.89 0.84 0.21 -0.29 0.00 0.00 176.35 175.21 1puq s ASN 111 N -1.56 6.53 0.51 3.68 3.84 -1.26 -4.85 114.94 121.83 1puq s ASN 111 Ca 0.80 -2.09 0.30 0.00 0.21 0.00 0.00 52.86 52.08 1puq s ASN 111 Cb -0.34 -2.29 1.10 0.00 -0.55 0.00 0.00 41.25 39.17 1puq s ASN 111 CO 0.38 -0.89 1.89 0.00 -2.79 0.00 0.00 177.10 175.68 1puq h ALA 112 N 8.56 1.00 0.10 1.71 0.00 -1.92 -2.50 119.26 126.20 1puq h ALA 112 Ca -0.02 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1puq h ALA 112 Cb 1.05 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1puq h ALA 112 CO 0.97 0.05 -0.67 0.22 0.00 0.00 0.00 179.25 179.83 1puq h ASP 113 N 0.00 0.42 -0.58 0.00 1.82 -1.93 -3.35 116.42 112.81 1puq h ASP 113 Ca -0.00 -0.92 -0.11 0.00 -0.39 0.00 0.00 57.03 55.61 1puq h ASP 113 Cb 0.65 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1puq h ASP 113 CO 0.01 1.30 -0.06 0.44 -1.61 0.00 0.00 179.24 179.31 1puq h ASP 114 N -0.40 1.06 -4.22 2.28 3.32 -1.89 -3.45 116.42 113.12 1puq h ASP 114 Ca -0.11 -0.33 -0.45 0.00 0.02 0.00 0.00 57.03 56.15 1puq h ASP 114 Cb 1.49 -0.29 0.14 0.00 0.22 0.00 0.00 39.33 40.89 1puq h ASP 114 CO 0.13 1.14 0.38 0.72 -1.72 0.00 0.00 179.24 179.88 1puq s PHE 115 N -4.92 2.12 0.09 4.55 -0.71 -0.95 -3.77 117.98 114.39 1puq s PHE 115 Ca -0.12 0.56 -0.35 0.00 -1.04 0.00 0.00 56.93 55.99 1puq s PHE 115 Cb 0.13 -3.74 -0.14 0.00 -1.21 0.00 0.00 43.02 38.06 1puq s PHE 115 CO 0.86 -2.40 1.61 -0.35 -1.34 0.00 0.00 175.22 173.60 1puq n PRO 116 N -3.69 1.98 0.01 1.99 -0.04 -1.26 -4.89 135.00 129.10 1puq n PRO 116 Ca 0.11 0.72 -0.06 0.00 -0.04 0.00 0.00 63.50 64.23 1puq n PRO 116 Cb 0.60 -2.48 0.13 0.00 -0.04 0.00 0.00 33.50 31.71 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 6.40 0.50 0.00 0.54 0.13 -1.86 -2.61 132.00 135.11 1puq h PRO 117 Ca -0.46 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1puq h PRO 117 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1puq h PRO 117 CO 0.89 0.81 0.00 0.00 -0.23 0.00 0.00 178.00 179.47 1puq n ALA 118 N -2.50 1.81 -0.79 -0.56 0.00 -1.26 -2.10 120.51 115.11 1puq n ALA 118 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 118 Cb 0.50 -1.28 0.31 0.00 0.00 0.00 0.00 19.45 18.97 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 4.47 0.09 0.00 3.02 -0.98 -4.55 115.26 115.83 1puq n ASN 119 Ca 0.05 -2.75 -0.06 0.00 -0.03 0.00 0.00 54.58 51.79 1puq n ASN 119 Cb 0.20 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.83 1puq n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1puq h GLU 120 N 2.93 0.07 -1.37 3.52 4.81 -1.46 -3.33 114.58 119.74 1puq h GLU 120 Ca 0.00 -0.08 0.42 0.00 -0.13 0.00 0.00 59.36 59.57 1puq h GLU 120 Cb 1.51 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.81 1puq h GLU 120 CO 0.27 0.86 0.92 -1.35 -0.73 0.00 0.00 179.01 178.98 1puq h PRO 121 N 0.04 0.10 0.04 0.92 0.11 -1.82 1.66 132.00 133.05 1puq h PRO 121 Ca -0.02 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 1puq h PRO 121 Cb 1.45 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.54 1puq h PRO 121 CO 0.11 0.07 -0.35 0.28 -0.21 0.00 0.00 178.00 177.91 1puq h VAL 122 N 0.10 1.60 -0.06 3.15 2.07 -1.95 -3.32 116.25 117.85 1puq h VAL 122 Ca 0.77 -2.21 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 1puq h VAL 122 Cb 2.58 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 35.37 1puq h VAL 122 CO -0.28 0.60 -0.43 0.40 0.02 0.00 0.00 177.57 177.89 1puq h ILE 123 N -0.58 1.31 -0.34 4.57 1.08 -0.56 -2.69 117.51 120.30 1puq h ILE 123 Ca -0.05 -1.52 0.10 0.00 -0.39 0.00 0.00 64.86 63.00 1puq h ILE 123 Cb 1.18 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 1puq h ILE 123 CO 0.07 0.44 0.32 0.00 -0.69 0.00 0.00 178.15 178.29 1puq h ALA 124 N 1.46 2.09 0.06 1.87 0.00 0.21 1.58 119.26 126.53 1puq h ALA 124 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1puq h ALA 124 Cb 0.80 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1puq h ALA 124 CO 0.06 -0.50 -0.34 -0.22 0.00 0.00 0.00 179.25 178.25 1puq h LYS 125 N 0.00 0.13 0.06 0.00 3.64 -1.60 -3.17 116.57 115.63 1puq h LYS 125 Ca 0.16 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1puq h LYS 125 Cb 0.81 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1puq h LYS 125 CO -0.00 1.10 -0.52 1.25 -2.27 0.00 0.00 179.45 179.00 1puq h LEU 126 N -0.73 0.36 -0.86 5.20 7.12 -1.32 -3.32 115.31 121.76 1puq h LEU 126 Ca -0.06 -0.88 0.14 0.00 0.13 0.00 0.00 57.88 57.21 1puq h LEU 126 Cb 1.27 -0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 41.19 1puq h LEU 126 CO 0.06 1.20 0.46 0.50 -0.13 0.00 0.00 178.44 180.54 1puq h LYS 127 N -0.44 0.65 0.00 1.25 3.64 0.21 0.98 116.57 122.86 1puq h LYS 127 Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1puq h LYS 127 Cb 1.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1puq h LYS 127 CO 0.10 0.43 0.00 -2.13 -2.27 0.00 0.00 179.45 175.58 1puq n ARG 128 N -4.84 0.04 -0.16 1.90 0.63 -1.20 -5.03 116.66 108.01 1puq n ARG 128 Ca 0.17 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1puq n ARG 128 Cb 0.42 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.83 1puq n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40