#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 3.75 -0.00 0.03 1.02 -0.95 -5.02 119.74 118.56 1puq s LYS 2 Ca 0.00 0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.14 1puq s LYS 2 Cb 0.00 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1puq s LYS 2 CO 0.00 0.51 0.00 -1.59 -0.92 0.00 0.00 175.35 173.35 1puq s LYS 3 N -2.16 0.00 -0.12 1.68 0.00 -1.26 -0.76 119.74 117.12 1puq s LYS 3 Ca 0.36 0.01 -0.05 0.00 0.00 0.00 0.00 55.97 56.30 1puq s LYS 3 Cb -0.13 -0.01 0.06 0.00 0.00 0.00 0.00 37.83 37.74 1puq s LYS 3 CO 0.20 -0.01 0.24 -0.48 0.00 0.00 0.00 175.35 175.30 1puq s LEU 4 N 0.05 -0.05 0.09 2.77 0.05 0.28 -4.93 118.68 116.94 1puq s LEU 4 Ca -0.00 0.54 0.02 0.00 0.05 0.00 0.00 54.13 54.73 1puq s LEU 4 Cb -0.01 0.65 -0.04 0.00 -2.05 0.00 0.00 46.19 44.74 1puq s LEU 4 CO -0.00 -0.22 0.17 -1.10 -0.55 0.00 0.00 176.35 174.65 1puq s GLN 5 N 2.06 3.18 -0.10 1.48 -0.21 -1.26 -1.62 119.66 123.19 1puq s GLN 5 Ca -0.02 -0.60 -0.06 0.00 0.02 0.00 0.00 55.36 54.71 1puq s GLN 5 Cb -0.12 -2.87 0.04 0.00 1.00 0.00 0.00 33.01 31.06 1puq s GLN 5 CO -0.08 0.57 0.25 -1.50 -2.12 0.00 0.00 175.29 172.40 1puq s ILE 6 N -1.53 -0.04 -0.11 1.08 1.10 -0.15 -3.53 121.20 118.02 1puq s ILE 6 Ca 0.32 0.13 0.02 0.00 -0.51 0.00 0.00 60.65 60.62 1puq s ILE 6 Cb -0.12 -0.38 0.01 0.00 0.15 0.00 0.00 42.46 42.12 1puq s ILE 6 CO 0.25 0.06 -0.16 0.00 -2.11 0.00 0.00 174.94 172.98 1puq s ALA 7 N 1.17 1.72 0.04 1.50 0.00 -1.23 -1.18 121.76 123.77 1puq s ALA 7 Ca -0.09 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1puq s ALA 7 Cb -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1puq s ALA 7 CO -0.08 -0.07 -0.03 0.14 0.00 0.00 0.00 175.76 175.72 1puq s VAL 8 N 0.97 0.17 -0.06 0.00 -7.23 0.93 -3.03 120.40 112.15 1puq s VAL 8 Ca -0.07 -1.35 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1puq s VAL 8 Cb -0.15 -0.87 0.03 0.00 0.56 0.00 0.00 36.38 35.95 1puq s VAL 8 CO -0.01 -0.74 0.01 -0.83 -0.31 0.00 0.00 175.10 173.21 1puq s GLY 9 N -2.16 0.43 -0.40 2.32 0.00 -1.05 0.14 107.32 106.61 1puq s GLY 9 Ca -0.05 -0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.31 1puq s GLY 9 CO -0.05 1.11 1.69 -0.42 0.00 0.00 0.00 173.10 175.43 1puq s ILE 10 N 1.90 3.58 -0.01 0.90 1.09 -0.95 -4.36 121.20 123.36 1puq s ILE 10 Ca 0.04 0.57 -0.30 0.00 -1.10 0.00 0.00 60.65 59.85 1puq s ILE 10 Cb -0.12 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.37 1puq s ILE 10 CO -0.05 -0.60 1.39 -0.63 -0.10 0.00 0.00 174.94 174.96 1puq s ILE 11 N 6.76 3.76 -0.20 2.92 1.01 -1.26 -2.74 121.20 131.45 1puq s ILE 11 Ca 0.72 1.13 -0.10 0.00 0.00 0.00 0.00 60.65 62.41 1puq s ILE 11 Cb -0.18 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1puq s ILE 11 CO 0.31 -0.01 0.12 -0.13 0.00 0.00 0.00 174.94 175.24 1puq s ARG 12 N 2.43 4.13 0.26 2.79 0.52 -1.24 0.18 118.95 128.03 1puq s ARG 12 Ca 0.63 -0.25 -0.03 0.00 -0.52 0.00 0.00 55.73 55.56 1puq s ARG 12 Cb -0.31 -3.40 0.06 0.00 0.52 0.00 0.00 34.95 31.82 1puq s ARG 12 CO 0.26 0.26 0.36 0.27 0.02 0.00 0.00 175.30 176.47 1puq n ASN 13 N 3.63 0.16 0.00 0.23 6.94 0.47 -2.79 115.26 123.90 1puq n ASN 13 Ca -0.16 -1.21 0.06 0.00 -0.02 0.00 0.00 54.58 53.25 1puq n ASN 13 Cb 0.52 -0.26 0.33 0.00 -2.36 0.00 0.00 39.78 38.01 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1puq n GLU 14 N -1.73 0.68 -2.45 -3.83 0.00 -1.26 -3.55 120.64 108.49 1puq n GLU 14 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.05 1puq n GLU 14 Cb 0.17 -1.26 0.02 0.00 0.00 0.00 0.00 31.44 30.38 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 -0.76 3.40 -1.64 4.31 2.85 -1.26 -4.94 115.26 117.23 1puq n ASN 15 Ca 0.08 -3.13 -0.09 0.00 -0.11 0.00 0.00 54.58 51.33 1puq n ASN 15 Cb 0.04 -0.44 -0.03 0.00 1.24 0.00 0.00 39.78 40.59 1puq n ASN 15 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1puq n ASN 16 N -0.50 -2.71 -4.64 1.20 4.13 -1.23 -4.91 115.26 106.60 1puq n ASN 16 Ca 0.27 0.24 -0.23 0.00 1.68 0.00 0.00 54.58 56.54 1puq n ASN 16 Cb 0.82 -2.56 -0.08 0.00 -1.54 0.00 0.00 39.78 36.43 1puq n ASN 16 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1puq s GLU 17 N -3.49 2.21 -0.05 3.52 2.02 -1.26 -4.58 118.70 117.07 1puq s GLU 17 Ca 0.00 -1.53 0.04 0.00 0.02 0.00 0.00 54.97 53.50 1puq s GLU 17 Cb 0.00 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1puq s GLU 17 CO 0.00 0.28 -0.16 -1.50 0.02 0.00 0.00 175.26 173.90 1puq s ILE 18 N -2.39 2.91 -0.68 -1.63 2.07 0.31 0.18 121.20 121.97 1puq s ILE 18 Ca 0.33 -0.78 -0.19 0.00 -1.41 0.00 0.00 60.65 58.60 1puq s ILE 18 Cb -0.05 -2.12 0.11 0.00 0.13 0.00 0.00 42.46 40.53 1puq s ILE 18 CO 0.20 0.59 0.81 0.12 -1.91 0.00 0.00 174.94 174.75 1puq s PHE 19 N -0.70 3.04 0.29 3.50 5.36 0.49 -1.20 117.98 128.77 1puq s PHE 19 Ca 0.11 -1.06 0.08 0.00 -0.96 0.00 0.00 56.93 55.10 1puq s PHE 19 Cb -0.11 -4.08 -0.04 0.00 -0.34 0.00 0.00 43.02 38.45 1puq s PHE 19 CO 0.00 -1.35 0.13 0.96 -1.46 0.00 0.00 175.22 173.50 1puq s ILE 20 N 2.66 3.56 0.20 3.12 -4.36 -1.25 -4.28 121.20 120.86 1puq s ILE 20 Ca 0.17 -1.66 -0.30 0.00 -0.26 0.00 0.00 60.65 58.60 1puq s ILE 20 Cb -0.19 -3.06 -0.09 0.00 1.25 0.00 0.00 42.46 40.37 1puq s ILE 20 CO 0.03 -0.28 1.27 0.42 0.24 0.00 0.00 174.94 176.61 1puq s THR 21 N -2.31 3.31 -0.31 8.37 -4.23 -0.70 -3.48 115.64 116.29 1puq s THR 21 Ca 0.35 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1puq s THR 21 Cb -0.05 -3.70 0.10 0.00 1.34 0.00 0.00 72.50 70.18 1puq s THR 21 CO 0.23 0.17 0.08 -0.13 -0.54 0.00 0.00 174.62 174.43 1puq s ARG 22 N -0.25 0.89 1.39 3.99 0.52 -1.18 -3.94 118.95 120.36 1puq s ARG 22 Ca 0.55 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1puq s ARG 22 Cb -0.35 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1puq s ARG 22 CO 0.38 -0.96 0.00 -2.13 0.02 0.00 0.00 175.30 172.61 1puq n ARG 23 N 4.73 0.00 0.00 3.54 0.63 -1.26 -4.31 116.66 119.99 1puq n ARG 23 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1puq n ARG 23 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 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 6.60 0.00 0.03 5.13 0.00 -1.26 -4.56 120.51 126.44 1puq n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1puq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1puq n ALA 25 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.84 120.51 114.41 1puq n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1puq n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1puq n ASP 26 N -2.46 0.00 -4.00 0.00 5.68 -1.26 -5.06 116.55 109.44 1puq n ASP 26 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.97 1puq n ASP 26 Cb 0.00 0.24 -0.12 0.00 -1.14 0.00 0.00 41.12 40.10 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1puq s ALA 27 N -1.91 3.40 0.00 2.12 0.00 -1.26 -4.99 121.76 119.12 1puq s ALA 27 Ca 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 48.70 1puq s ALA 27 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1puq s ALA 27 CO 0.00 -2.04 0.00 1.58 0.00 0.00 0.00 175.76 175.30 1puq n HIS 28 N 3.25 -0.24 -1.62 0.00 -0.00 -1.26 -5.03 115.22 110.32 1puq n HIS 28 Ca 0.06 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.98 1puq n HIS 28 Cb 0.34 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.12 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 0.00 0.86 0.08 1.57 2.81 -1.26 -4.65 117.12 116.52 1puq n MET 29 Ca 0.00 -1.96 0.11 0.00 -1.81 0.00 0.00 57.70 54.03 1puq n MET 29 Cb 0.00 -3.60 0.44 0.00 -0.71 0.00 0.00 33.22 29.35 1puq n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1puq n ALA 30 N 15.20 1.75 -0.57 3.04 0.00 -1.26 -2.58 120.51 136.08 1puq n ALA 30 Ca 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.89 1puq n ALA 30 Cb 0.46 -1.35 0.26 0.00 0.00 0.00 0.00 19.45 18.82 1puq n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1puq n ASN 31 N -1.98 4.38 -0.89 0.00 5.15 -1.26 -4.16 115.26 116.50 1puq n ASN 31 Ca 0.03 -2.90 0.02 0.00 -0.60 0.00 0.00 54.58 51.13 1puq n ASN 31 Cb 0.24 -0.69 0.21 0.00 -0.53 0.00 0.00 39.78 39.01 1puq n ASN 31 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1puq n LYS 32 N 0.09 1.97 -1.12 1.20 5.02 -1.07 -4.18 118.16 120.08 1puq n LYS 32 Ca 0.30 -3.05 -0.37 0.00 -2.02 0.00 0.00 58.31 53.17 1puq n LYS 32 Cb 1.13 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.29 1puq n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1puq n LEU 33 N -1.03 2.33 0.00 -0.35 0.00 -1.24 -4.81 117.00 111.90 1puq n LEU 33 Ca 0.27 -2.36 -0.06 0.00 0.00 0.00 0.00 56.01 53.86 1puq n LEU 33 Cb 0.91 -1.09 -0.01 0.00 0.00 0.00 0.00 43.42 43.24 1puq n LEU 33 CO 0.13 -1.75 -0.01 1.21 0.00 0.00 0.00 177.39 176.96 1puq n GLU 34 N 7.76 1.48 -4.56 1.96 2.13 -1.25 -4.11 120.64 124.04 1puq n GLU 34 Ca 0.46 -0.75 -0.27 0.00 0.66 0.00 0.00 57.16 57.26 1puq n GLU 34 Cb 0.43 0.13 -0.11 0.00 0.27 0.00 0.00 31.44 32.16 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 -0.88 2.49 0.89 4.31 0.40 -1.26 -1.71 117.98 122.22 1puq s PHE 35 Ca 0.04 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.65 1puq s PHE 35 Cb -0.00 -1.66 0.12 0.00 0.51 0.00 0.00 43.02 41.99 1puq s PHE 35 CO 0.03 0.48 1.10 -1.25 0.70 0.00 0.00 175.22 176.28 1puq s PRO 36 N -3.69 1.34 0.00 0.24 0.04 -1.26 -4.39 135.00 127.28 1puq s PRO 36 Ca 0.35 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1puq s PRO 36 Cb 0.07 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1puq s PRO 36 CO 0.18 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1puq n GLY 37 N -1.68 0.32 3.73 0.56 0.00 -1.25 -2.52 105.19 104.35 1puq n GLY 37 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.49 1.99 0.00 -0.02 0.00 -1.17 -3.09 107.32 103.54 1puq s GLY 38 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.04 1puq s GLY 38 CO 0.00 2.42 0.00 1.17 0.00 0.00 0.00 173.10 176.69 1puq n LYS 39 N 3.13 0.00 -0.26 2.90 4.81 -1.26 -4.97 118.16 122.51 1puq n LYS 39 Ca 0.10 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 57.86 1puq n LYS 39 Cb 0.40 0.00 0.74 0.00 0.02 0.00 0.00 35.03 36.19 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 0.45 -0.86 3.15 3.07 -1.75 -1.83 117.51 119.73 1puq h ILE 40 Ca 0.00 0.00 0.09 0.00 1.55 0.00 0.00 64.86 66.50 1puq h ILE 40 Cb 0.00 0.46 -0.12 0.00 -0.27 0.00 0.00 36.82 36.89 1puq h ILE 40 CO 0.00 0.00 -0.54 1.05 -1.05 0.00 0.00 178.15 177.61 1puq h GLU 41 N 0.00 -0.08 0.00 0.16 -0.00 -1.89 -3.29 114.58 109.47 1puq h GLU 41 Ca 0.50 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.87 1puq h GLU 41 Cb 2.05 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.82 1puq h GLU 41 CO -0.01 -0.06 0.00 -1.33 -0.00 0.00 0.00 179.01 177.62 1puq n MET 42 N -5.32 0.00 -0.85 1.06 2.81 -0.69 -3.83 117.12 110.30 1puq n MET 42 Ca 0.02 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1puq n MET 42 Cb 0.31 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.82 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 -0.61 1.99 3.03 0.00 -1.24 -5.17 105.19 103.19 1puq n GLY 43 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.01 0.84 -4.06 1.61 4.71 -1.24 -5.07 120.64 117.42 1puq n GLU 44 Ca -0.01 -1.63 -0.28 0.00 -0.01 0.00 0.00 57.16 55.23 1puq n GLU 44 Cb 0.34 -0.07 -0.06 0.00 -1.01 0.00 0.00 31.44 30.64 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 -0.93 4.53 0.61 2.62 2.01 -1.26 -4.75 115.64 118.48 1puq s THR 45 Ca 0.29 -0.91 0.25 0.00 0.31 0.00 0.00 61.69 61.63 1puq s THR 45 Cb -0.02 -3.25 0.35 0.00 0.01 0.00 0.00 72.50 69.59 1puq s THR 45 CO 0.18 0.01 1.45 1.55 -0.69 0.00 0.00 174.62 177.12 1puq h PRO 46 N 2.86 0.00 0.00 4.92 0.13 -1.98 1.55 132.00 139.48 1puq h PRO 46 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 1puq h PRO 46 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1puq h PRO 46 CO 0.65 0.00 -1.80 0.39 -0.23 0.00 0.00 178.00 177.01 1puq n GLU 47 N -3.26 0.57 0.07 0.86 -0.58 -1.26 -4.36 120.64 112.68 1puq n GLU 47 Ca 0.16 0.43 -0.06 0.00 -0.42 0.00 0.00 57.16 57.28 1puq n GLU 47 Cb 1.22 -1.63 -0.10 0.00 -0.57 0.00 0.00 31.44 30.36 1puq n GLU 47 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1puq h GLN 48 N -1.00 0.00 -0.70 3.49 1.08 -1.56 -2.96 115.11 113.46 1puq h GLN 48 Ca -0.49 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 56.79 1puq h GLN 48 Cb 1.42 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.78 1puq h GLN 48 CO -0.30 0.90 0.37 0.00 -0.95 0.00 0.00 178.83 178.86 1puq h ALA 49 N 1.08 0.96 0.02 3.87 0.00 0.19 1.00 119.26 126.38 1puq h ALA 49 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1puq h ALA 49 Cb 1.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1puq h ALA 49 CO 0.12 0.01 -0.16 -0.39 0.00 0.00 0.00 179.25 178.82 1puq h VAL 50 N 0.65 1.67 -0.71 0.00 -1.51 -1.73 -1.07 116.25 113.56 1puq h VAL 50 Ca 0.33 -2.19 0.07 0.00 -1.23 0.00 0.00 66.70 63.68 1puq h VAL 50 Cb 0.29 3.14 -0.05 0.00 -2.13 0.00 0.00 31.29 32.54 1puq h VAL 50 CO -0.23 0.58 0.47 0.58 -1.23 0.00 0.00 177.57 177.74 1puq h VAL 51 N -0.77 0.99 0.00 7.19 2.07 -1.33 0.82 116.25 125.23 1puq h VAL 51 Ca -0.03 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1puq h VAL 51 Cb 1.05 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1puq h VAL 51 CO 0.03 0.13 -0.00 0.03 0.02 0.00 0.00 177.57 177.78 1puq h ARG 52 N 0.69 -0.00 0.00 1.57 2.47 0.98 -3.25 114.38 116.84 1puq h ARG 52 Ca 0.31 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.03 1puq h ARG 52 Cb 0.33 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1puq h ARG 52 CO -0.11 0.88 -0.04 0.93 0.56 0.00 0.00 179.97 182.20 1puq h GLU 53 N -0.90 0.00 -0.60 0.04 4.39 -0.81 -2.50 114.58 114.19 1puq h GLU 53 Ca -0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1puq h GLU 53 Cb 0.89 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 1puq h GLU 53 CO 0.00 0.04 0.32 1.25 -1.16 0.00 0.00 179.01 179.46 1puq h LEU 54 N 0.00 0.47 -1.28 1.33 5.85 0.63 0.52 115.31 122.83 1puq h LEU 54 Ca -0.00 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1puq h LEU 54 Cb 0.21 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1puq h LEU 54 CO 0.00 0.31 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.47 1puq h GLN 55 N 0.61 0.00 0.08 1.25 4.15 -1.57 0.83 115.11 120.46 1puq h GLN 55 Ca 0.27 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.41 1puq h GLN 55 Cb 0.17 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.88 1puq h GLN 55 CO -0.17 0.34 -1.16 1.49 -1.93 0.00 0.00 178.83 177.40 1puq h GLU 56 N 0.00 0.57 -0.31 1.69 4.81 -1.03 0.15 114.58 120.46 1puq h GLU 56 Ca -0.00 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 1puq h GLU 56 Cb 0.68 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1puq h GLU 56 CO 0.04 1.31 0.00 0.39 -0.73 0.00 0.00 179.01 180.02 1puq n GLU 57 N -3.77 2.19 0.00 1.92 4.71 0.16 0.34 120.64 126.20 1puq n GLU 57 Ca -0.11 -2.02 0.00 0.00 -0.01 0.00 0.00 57.16 55.02 1puq n GLU 57 Cb 0.94 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.97 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 1.11 0.00 0.00 2.62 0.31 0.29 -3.73 118.33 118.93 1puq n VAL 58 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1puq n VAL 58 Cb 0.50 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 2.01 0.70 3.84 2.92 0.00 0.54 0.15 105.19 115.35 1puq n GLY 59 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1puq n GLY 59 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1puq s ILE 60 N 0.00 2.88 -0.83 -0.61 1.10 -1.26 -4.84 121.20 117.64 1puq s ILE 60 Ca 0.00 0.29 -0.12 0.00 -0.51 0.00 0.00 60.65 60.31 1puq s ILE 60 Cb 0.00 -3.16 0.22 0.00 0.15 0.00 0.00 42.46 39.67 1puq s ILE 60 CO 0.00 -0.38 0.76 0.42 -2.11 0.00 0.00 174.94 173.63 1puq s THR 61 N -3.31 5.40 0.11 4.00 -4.23 -1.26 -4.85 115.64 111.49 1puq s THR 61 Ca 0.60 -2.65 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1puq s THR 61 Cb -0.13 -4.34 -0.04 0.00 1.34 0.00 0.00 72.50 69.33 1puq s THR 61 CO 0.52 -1.03 -0.14 -2.16 -0.54 0.00 0.00 174.62 171.28 1puq s PRO 62 N -0.03 1.97 -1.24 3.99 0.04 -1.26 -3.11 135.00 135.37 1puq s PRO 62 Ca 0.19 -1.09 -0.20 0.00 0.04 0.00 0.00 61.00 59.93 1puq s PRO 62 Cb -0.11 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 1puq s PRO 62 CO -0.08 0.49 1.85 1.04 0.04 0.00 0.00 177.00 180.34 1puq n GLN 63 N 0.73 2.40 -4.75 4.56 6.02 0.13 -4.85 117.38 121.63 1puq n GLN 63 Ca -0.14 -2.84 -0.30 0.00 -0.01 0.00 0.00 57.00 53.71 1puq n GLN 63 Cb 0.52 -3.59 -0.17 0.00 1.02 0.00 0.00 30.24 28.03 1puq n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1puq s HIS 64 N 7.40 2.18 0.00 1.08 2.46 -1.25 -1.34 115.29 125.82 1puq s HIS 64 Ca 0.61 -0.96 0.00 0.00 0.47 0.00 0.00 55.06 55.17 1puq s HIS 64 Cb 0.02 -1.51 0.00 0.00 -0.13 0.00 0.00 32.58 30.96 1puq s HIS 64 CO 0.10 -0.45 0.00 0.34 -2.47 0.00 0.00 174.74 172.27 1puq n PHE 65 N 3.90 0.00 -1.28 3.88 -0.00 -1.25 -4.94 117.46 117.77 1puq n PHE 65 Ca -0.20 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.40 1puq n PHE 65 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.94 1puq n PHE 65 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1puq n SER 66 N 0.00 -6.78 -3.89 -2.13 2.88 -1.23 -2.00 113.62 100.46 1puq n SER 66 Ca 0.00 0.97 -0.29 0.00 -1.33 0.00 0.00 58.87 58.21 1puq n SER 66 Cb 0.00 -4.19 -0.16 0.00 -0.75 0.00 0.00 64.21 59.11 1puq n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1puq s LEU 67 N -6.56 2.16 -0.02 2.46 0.20 -1.26 -1.17 118.68 114.48 1puq s LEU 67 Ca 0.00 -1.03 -0.22 0.00 0.69 0.00 0.00 54.13 53.57 1puq s LEU 67 Cb 0.00 -1.03 -0.25 0.00 -0.43 0.00 0.00 46.19 44.48 1puq s LEU 67 CO 0.00 -0.24 1.03 0.15 -0.29 0.00 0.00 176.35 177.00 1puq h PHE 68 N 8.03 0.50 -1.70 5.38 3.04 -1.66 -3.42 116.94 127.10 1puq h PHE 68 Ca -0.19 -0.29 0.17 0.00 3.98 0.00 0.00 57.97 61.64 1puq h PHE 68 Cb 1.09 -0.05 -0.20 0.00 2.56 0.00 0.00 35.95 39.35 1puq h PHE 68 CO 0.45 1.13 0.67 -2.00 -2.02 0.00 0.00 178.31 176.53 1puq s GLU 69 N -3.00 0.51 -0.25 1.11 2.12 -0.63 -5.00 118.70 113.56 1puq s GLU 69 Ca -0.14 -0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 1puq s GLU 69 Cb 0.02 0.24 0.10 0.00 0.26 0.00 0.00 34.13 34.75 1puq s GLU 69 CO 0.80 -0.20 0.19 -1.59 -0.54 0.00 0.00 175.26 173.92 1puq s LYS 70 N -2.19 0.20 -0.11 4.30 -2.85 -1.26 0.10 119.74 117.94 1puq s LYS 70 Ca 0.05 -0.16 -0.12 0.00 -1.00 0.00 0.00 55.97 54.75 1puq s LYS 70 Cb -0.01 -1.15 -0.05 0.00 -2.06 0.00 0.00 37.83 34.56 1puq s LYS 70 CO -0.05 -0.87 0.27 -1.17 0.10 0.00 0.00 175.35 173.63 1puq s LEU 71 N 2.24 4.35 -0.23 2.77 2.96 0.19 -4.95 118.68 126.01 1puq s LEU 71 Ca 0.07 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1puq s LEU 71 Cb -0.15 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 44.28 1puq s LEU 71 CO -0.25 0.26 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.31 1puq s GLU 72 N -0.42 1.46 -0.04 1.98 2.12 -1.26 -0.46 118.70 122.08 1puq s GLU 72 Ca 0.17 -0.93 -0.01 0.00 0.36 0.00 0.00 54.97 54.56 1puq s GLU 72 Cb -0.14 -2.52 0.03 0.00 0.26 0.00 0.00 34.13 31.77 1puq s GLU 72 CO 0.06 -0.62 0.08 1.52 -0.54 0.00 0.00 175.26 175.76 1puq s TYR 73 N 1.46 -0.05 -0.11 5.30 1.13 -1.15 -5.02 117.35 118.91 1puq s TYR 73 Ca -0.04 0.29 0.01 0.00 -1.41 0.00 0.00 57.07 55.92 1puq s TYR 73 Cb -0.19 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.46 1puq s TYR 73 CO -0.07 -0.13 -0.17 -1.83 -2.51 0.00 0.00 175.55 170.84 1puq s GLU 74 N 1.27 3.21 0.83 -3.49 -1.05 -1.26 -2.94 118.70 115.27 1puq s GLU 74 Ca -0.07 -0.75 -0.11 0.00 -0.15 0.00 0.00 54.97 53.89 1puq s GLU 74 Cb -0.12 -2.50 0.09 0.00 -0.44 0.00 0.00 34.13 31.15 1puq s GLU 74 CO -0.04 0.23 1.09 -0.06 0.95 0.00 0.00 175.26 177.43 1puq s PHE 75 N 0.27 2.54 0.51 4.83 0.40 0.31 -4.84 117.98 121.99 1puq s PHE 75 Ca -0.12 1.33 0.42 0.00 -0.60 0.00 0.00 56.93 57.96 1puq s PHE 75 Cb -0.16 -3.10 1.44 0.00 0.51 0.00 0.00 43.02 41.71 1puq s PHE 75 CO 0.06 -2.04 1.37 -0.35 0.70 0.00 0.00 175.22 174.96 1puq n PRO 76 N -3.65 0.00 0.00 0.24 -0.04 -1.26 -3.01 135.00 127.28 1puq n PRO 76 Ca 0.08 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 1puq n PRO 76 Cb 0.55 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 -3.62 0.08 -4.50 3.54 5.68 -1.26 -5.02 116.55 111.44 1puq n ASP 77 Ca 0.37 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.24 1puq n ASP 77 Cb 1.76 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 41.71 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 -1.02 3.16 -0.45 0.11 3.52 -1.16 -2.24 118.95 120.86 1puq s ARG 78 Ca 0.00 -0.54 -0.24 0.00 -0.13 0.00 0.00 55.73 54.82 1puq s ARG 78 Cb 0.00 -4.22 0.03 0.00 -1.56 0.00 0.00 34.95 29.20 1puq s ARG 78 CO 0.00 -1.99 0.84 -1.58 -0.81 0.00 0.00 175.30 171.76 1puq s HIS 79 N 4.93 2.97 -0.06 5.12 5.65 0.06 0.11 115.29 134.07 1puq s HIS 79 Ca 0.29 0.28 0.03 0.00 0.25 0.00 0.00 55.06 55.91 1puq s HIS 79 Cb -0.12 -3.77 -0.02 0.00 -1.18 0.00 0.00 32.58 27.49 1puq s HIS 79 CO 0.12 -1.02 -0.16 -1.50 -0.65 0.00 0.00 174.74 171.54 1puq s ILE 80 N 3.47 2.86 -0.19 0.89 2.07 -1.15 0.10 121.20 129.25 1puq s ILE 80 Ca 0.33 -0.78 0.01 0.00 -1.41 0.00 0.00 60.65 58.80 1puq s ILE 80 Cb -0.11 -2.12 0.03 0.00 0.13 0.00 0.00 42.46 40.38 1puq s ILE 80 CO 0.24 0.57 -0.18 0.42 -1.91 0.00 0.00 174.94 174.08 1puq s THR 81 N -0.43 2.12 -0.31 4.00 -4.23 -0.64 -2.91 115.64 113.23 1puq s THR 81 Ca 0.05 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.45 1puq s THR 81 Cb -0.12 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.78 1puq s THR 81 CO 0.02 0.45 0.11 -0.76 -0.54 0.00 0.00 174.62 173.90 1puq s LEU 82 N 1.27 4.06 -0.19 4.79 2.01 0.39 -0.97 118.68 130.04 1puq s LEU 82 Ca 0.03 -0.75 -0.01 0.00 0.01 0.00 0.00 54.13 53.40 1puq s LEU 82 Cb -0.14 -1.92 -0.00 0.00 0.01 0.00 0.00 46.19 44.14 1puq s LEU 82 CO -0.11 -0.23 -0.11 0.26 1.01 0.00 0.00 176.35 177.16 1puq s TRP 83 N 1.52 2.86 -0.19 0.29 0.52 -0.33 0.57 118.94 124.18 1puq s TRP 83 Ca 0.02 -1.08 -0.04 0.00 0.02 0.00 0.00 56.10 55.02 1puq s TRP 83 Cb -0.18 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.14 1puq s TRP 83 CO 0.04 -0.55 -0.04 -0.06 0.02 0.00 0.00 176.95 176.36 1puq s PHE 84 N 1.15 2.97 0.07 -1.98 0.40 0.29 -0.05 117.98 120.83 1puq s PHE 84 Ca 0.01 -0.65 0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1puq s PHE 84 Cb -0.14 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1puq s PHE 84 CO -0.04 -0.34 -0.00 -1.58 0.70 0.00 0.00 175.22 173.96 1puq s TRP 85 N 1.04 3.01 -0.50 0.36 0.52 0.38 -1.61 118.94 122.13 1puq s TRP 85 Ca 0.01 -0.00 -0.16 0.00 0.02 0.00 0.00 56.10 55.97 1puq s TRP 85 Cb -0.15 -1.57 0.09 0.00 -1.15 0.00 0.00 33.47 30.70 1puq s TRP 85 CO 0.01 0.47 0.45 -1.17 0.02 0.00 0.00 176.95 176.73 1puq s LEU 86 N -2.12 5.78 0.29 2.99 2.96 -0.31 -2.23 118.68 126.04 1puq s LEU 86 Ca 0.24 -1.47 -0.21 0.00 -0.22 0.00 0.00 54.13 52.46 1puq s LEU 86 Cb -0.12 -2.21 -0.09 0.00 0.50 0.00 0.00 46.19 44.27 1puq s LEU 86 CO 0.16 -0.75 0.82 -0.69 -1.32 0.00 0.00 176.35 174.57 1puq s VAL 87 N 1.71 4.44 -0.21 1.68 1.01 -1.11 -3.57 120.40 124.36 1puq s VAL 87 Ca 0.04 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 1puq s VAL 87 Cb -0.26 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1puq s VAL 87 CO 0.06 0.09 -0.28 -0.62 0.00 0.00 0.00 175.10 174.35 1puq n GLU 88 N 0.42 0.46 -3.66 2.72 1.02 -1.08 -3.72 120.64 116.80 1puq n GLU 88 Ca 0.01 0.20 -0.07 0.00 -0.02 0.00 0.00 57.16 57.27 1puq n GLU 88 Cb 0.51 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 1puq n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1puq s ARG 89 N -2.42 1.33 0.12 3.49 1.70 -0.45 -4.24 118.95 118.46 1puq s ARG 89 Ca -0.30 -0.65 0.03 0.00 -0.47 0.00 0.00 55.73 54.34 1puq s ARG 89 Cb 0.11 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.96 1puq s ARG 89 CO 0.38 -0.60 -0.08 1.67 -1.08 0.00 0.00 175.30 175.59 1puq s TRP 90 N -3.56 1.06 -0.56 5.89 -2.14 -1.26 0.21 118.94 118.59 1puq s TRP 90 Ca 0.08 -0.83 -0.19 0.00 2.66 0.00 0.00 56.10 57.82 1puq s TRP 90 Cb -0.03 -0.57 0.08 0.00 -3.10 0.00 0.00 33.47 29.85 1puq s TRP 90 CO -0.02 -0.04 0.69 -2.00 -2.66 0.00 0.00 176.95 172.92 1puq s GLU 91 N -3.70 3.08 3.08 3.25 2.12 -1.18 -4.86 118.70 120.49 1puq s GLU 91 Ca 0.13 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1puq s GLU 91 Cb 0.03 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1puq s GLU 91 CO -0.02 -1.43 0.00 0.41 -0.54 0.00 0.00 175.26 173.68 1puq n GLY 92 N 5.24 1.33 3.01 -1.50 0.00 -1.26 -4.63 105.19 107.39 1puq n GLY 92 Ca -0.08 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1puq n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1puq s GLU 93 N 0.00 1.07 0.26 1.61 2.12 -1.26 -5.11 118.70 117.38 1puq s GLU 93 Ca 0.00 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1puq s GLU 93 Cb 0.00 -0.98 -0.09 0.00 0.26 0.00 0.00 34.13 33.32 1puq s GLU 93 CO 0.00 0.12 1.04 -2.14 -0.54 0.00 0.00 175.26 173.74 1puq s PRO 94 N 0.21 4.72 0.16 4.30 0.02 -1.26 -4.69 135.00 138.46 1puq s PRO 94 Ca -0.04 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1puq s PRO 94 Cb -0.09 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1puq s PRO 94 CO 0.01 0.31 0.00 -2.67 -0.33 0.00 0.00 177.00 174.32 1puq n TRP 95 N 1.41 -1.27 0.00 6.54 4.27 0.20 -4.99 117.44 123.59 1puq n TRP 95 Ca -0.01 0.22 0.00 0.00 -3.89 0.00 0.00 57.50 53.82 1puq n TRP 95 Cb 0.46 0.41 0.00 0.00 -1.36 0.00 0.00 31.31 30.82 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 2.04 1.21 0.00 -1.67 0.00 0.40 -4.22 105.19 102.95 1puq n GLY 96 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.29 1.61 5.02 0.15 -4.72 118.16 120.52 1puq n LYS 97 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 1puq n LYS 97 Cb 0.00 0.00 0.98 0.00 -0.02 0.00 0.00 35.03 35.99 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1puq h GLU 98 N 0.00 0.00 0.00 1.97 -0.00 -1.73 -3.44 114.58 111.38 1puq h GLU 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1puq h GLU 98 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1puq h GLU 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 1puq n GLY 99 N -1.27 0.49 3.32 1.06 0.00 -1.26 -4.93 105.19 102.60 1puq n GLY 99 Ca -0.02 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 3.31 0.41 1.61 -2.07 -1.26 -5.09 119.66 116.58 1puq s GLN 100 Ca 0.00 -0.68 -0.22 0.00 -1.82 0.00 0.00 55.36 52.65 1puq s GLN 100 Cb 0.00 -3.10 -0.14 0.00 -1.09 0.00 0.00 33.01 28.69 1puq s GLN 100 CO 0.00 -0.25 0.35 -2.30 -1.32 0.00 0.00 175.29 171.76 1puq n PRO 101 N 4.81 0.31 -4.41 9.60 -0.02 -1.26 -4.00 135.00 140.03 1puq n PRO 101 Ca -0.17 0.11 -0.22 0.00 -2.02 0.00 0.00 63.50 61.20 1puq n PRO 101 Cb 0.50 -1.28 -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 2.40 0.21 -1.23 0.00 -1.26 -3.13 107.32 103.33 1puq s GLY 102 Ca 0.62 -1.59 0.10 0.00 0.00 0.00 0.00 44.72 43.85 1puq s GLY 102 CO 0.60 -1.67 -0.19 1.85 0.00 0.00 0.00 173.10 173.68 1puq s GLU 103 N -3.67 1.46 -0.43 2.90 2.12 -1.23 -4.92 118.70 114.93 1puq s GLU 103 Ca 0.31 -1.57 -0.28 0.00 0.36 0.00 0.00 54.97 53.79 1puq s GLU 103 Cb 0.03 -1.54 -0.02 0.00 0.26 0.00 0.00 34.13 32.86 1puq s GLU 103 CO 0.19 0.30 1.83 -1.58 -0.54 0.00 0.00 175.26 175.46 1puq s TRP 104 N -2.26 1.75 0.16 5.30 0.51 -1.26 -3.86 118.94 119.27 1puq s TRP 104 Ca 0.22 0.72 0.11 0.00 -2.12 0.00 0.00 56.10 55.03 1puq s TRP 104 Cb -0.05 -4.10 -0.04 0.00 -0.81 0.00 0.00 33.47 28.47 1puq s TRP 104 CO 0.10 -2.70 -0.25 0.00 -0.51 0.00 0.00 176.95 173.58 1puq s MET 105 N 6.18 1.43 -0.23 4.98 0.23 -0.34 -4.91 119.30 126.65 1puq s MET 105 Ca 0.76 -1.42 -0.29 0.00 -1.03 0.00 0.00 55.69 53.72 1puq s MET 105 Cb -0.19 -1.82 -0.02 0.00 -1.53 0.00 0.00 34.83 31.27 1puq s MET 105 CO 0.29 0.41 1.59 0.45 -2.03 0.00 0.00 175.02 175.73 1puq s SER 106 N -2.34 6.40 0.57 -1.18 0.15 -1.26 0.11 113.70 116.16 1puq s SER 106 Ca 0.16 1.58 0.37 0.00 0.70 0.00 0.00 55.95 58.76 1puq s SER 106 Cb -0.09 -2.53 2.00 0.00 -1.71 0.00 0.00 66.02 63.68 1puq s SER 106 CO 0.08 -1.24 2.12 0.25 1.20 0.00 0.00 173.24 175.64 1puq h LEU 107 N 11.62 0.00 -0.84 3.45 7.12 -1.83 -2.41 115.31 132.42 1puq h LEU 107 Ca -0.33 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1puq h LEU 107 Cb 1.15 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1puq h LEU 107 CO 1.00 0.00 0.26 0.55 -0.13 0.00 0.00 178.44 180.13 1puq n VAL 108 N -2.82 0.71 -2.86 1.05 3.14 -1.26 -1.67 118.33 114.62 1puq n VAL 108 Ca -0.02 0.72 -0.15 0.00 -2.96 0.00 0.00 64.34 61.92 1puq n VAL 108 Cb 0.10 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.16 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 -1.28 2.97 3.74 7.55 0.00 -0.91 -5.03 105.19 112.22 1puq n GLY 109 Ca -0.01 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.93 3.56 -0.73 0.99 0.20 -0.67 -4.96 118.68 114.14 1puq s LEU 110 Ca 0.35 2.53 -0.14 0.00 0.69 0.00 0.00 54.13 57.56 1puq s LEU 110 Cb 0.40 -4.61 0.19 0.00 -0.43 0.00 0.00 46.19 41.74 1puq s LEU 110 CO -0.04 -1.94 0.67 0.21 -0.29 0.00 0.00 176.35 174.96 1puq s ASN 111 N -1.52 6.52 0.49 3.68 3.04 -1.26 -4.86 114.94 121.03 1puq s ASN 111 Ca 0.80 -2.42 0.28 0.00 0.04 0.00 0.00 52.86 51.57 1puq s ASN 111 Cb -0.35 -2.19 1.02 0.00 -1.54 0.00 0.00 41.25 38.19 1puq s ASN 111 CO 0.39 -0.65 1.86 0.00 -3.04 0.00 0.00 177.10 175.65 1puq h ALA 112 N 8.09 1.00 0.11 1.71 0.00 -1.93 -2.46 119.26 125.77 1puq h ALA 112 Ca -0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1puq h ALA 112 Cb 1.06 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1puq h ALA 112 CO 0.84 0.11 -0.72 0.22 0.00 0.00 0.00 179.25 179.70 1puq h ASP 113 N 0.00 0.44 -0.58 0.00 1.82 -1.93 -3.35 116.42 112.83 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 0.69 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1puq h ASP 113 CO 0.01 1.33 -0.06 -0.78 -1.61 0.00 0.00 179.24 178.14 1puq h ASP 114 N -0.37 1.05 -4.19 2.28 3.58 -1.87 -3.45 116.42 113.45 1puq h ASP 114 Ca -0.12 -0.33 -0.45 0.00 0.42 0.00 0.00 57.03 56.55 1puq h ASP 114 Cb 1.54 -0.28 0.14 0.00 1.72 0.00 0.00 39.33 42.44 1puq h ASP 114 CO 0.14 1.13 0.38 0.72 -2.88 0.00 0.00 179.24 178.72 1puq s PHE 115 N -4.94 2.04 0.08 0.28 -0.71 -0.93 -3.26 117.98 110.55 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 0.13 -3.77 -0.14 0.00 -1.21 0.00 0.00 43.02 38.03 1puq s PHE 115 CO 0.86 -2.45 1.60 -0.35 -1.34 0.00 0.00 175.22 173.54 1puq n PRO 116 N -3.72 1.94 -0.03 1.99 -0.04 -1.26 -4.89 135.00 129.00 1puq n PRO 116 Ca 0.12 0.70 -0.06 0.00 -0.04 0.00 0.00 63.50 64.22 1puq n PRO 116 Cb 0.60 -2.46 0.12 0.00 -0.04 0.00 0.00 33.50 31.72 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 6.35 0.61 0.00 0.54 0.13 -1.86 -2.53 132.00 135.25 1puq h PRO 117 Ca -0.46 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1puq h PRO 117 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1puq h PRO 117 CO 0.88 0.85 0.00 0.00 -0.23 0.00 0.00 178.00 179.50 1puq n ALA 118 N -2.50 1.78 -0.73 -0.56 0.00 -1.26 -2.01 120.51 115.23 1puq n ALA 118 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1puq n ALA 118 Cb 0.46 -1.27 0.30 0.00 0.00 0.00 0.00 19.45 18.94 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 4.30 0.11 0.00 3.02 -0.95 -4.57 115.26 115.70 1puq n ASN 119 Ca 0.04 -2.66 -0.04 0.00 -0.03 0.00 0.00 54.58 51.90 1puq n ASN 119 Cb 0.19 -0.52 0.11 0.00 -0.61 0.00 0.00 39.78 38.94 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 2.90 0.08 -1.23 3.52 4.81 -1.43 -3.33 114.58 119.89 1puq h GLU 120 Ca 0.00 -0.06 0.39 0.00 -0.13 0.00 0.00 59.36 59.56 1puq h GLU 120 Cb 1.41 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.68 1puq h GLU 120 CO 0.23 0.73 0.79 -1.35 -0.73 0.00 0.00 179.01 178.68 1puq h PRO 121 N 0.05 0.15 0.01 0.92 0.11 -1.83 1.72 132.00 133.14 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 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1puq h PRO 121 CO 0.09 0.10 -0.01 0.28 -0.21 0.00 0.00 178.00 178.26 1puq h VAL 122 N 0.16 1.50 -0.07 3.15 2.07 -1.95 -3.32 116.25 117.79 1puq h VAL 122 Ca 0.77 -1.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1puq h VAL 122 Cb 2.30 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 34.80 1puq h VAL 122 CO -0.42 0.48 -0.24 0.40 0.02 0.00 0.00 177.57 177.81 1puq h ILE 123 N -0.91 1.20 -0.40 4.57 1.08 -1.17 -2.35 117.51 119.54 1puq h ILE 123 Ca -0.00 -0.95 0.12 0.00 -0.39 0.00 0.00 64.86 63.63 1puq h ILE 123 Cb 0.79 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 1puq h ILE 123 CO 0.00 0.28 0.34 0.00 -0.69 0.00 0.00 178.15 178.09 1puq h ALA 124 N 1.66 2.22 0.00 1.87 0.00 0.24 1.69 119.26 126.94 1puq h ALA 124 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1puq h ALA 124 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1puq h ALA 124 CO 0.03 -0.55 -0.03 -0.22 0.00 0.00 0.00 179.25 178.49 1puq h LYS 125 N 0.00 0.01 0.00 0.00 3.11 -1.54 -3.32 116.57 114.83 1puq h LYS 125 Ca 0.19 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.84 1puq h LYS 125 Cb 0.87 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.08 1puq h LYS 125 CO -0.00 0.99 -0.81 1.25 -2.81 0.00 0.00 179.45 178.07 1puq h LEU 126 N -0.96 0.00 -0.81 5.20 7.12 -1.40 -3.28 115.31 121.17 1puq h LEU 126 Ca -0.00 0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.10 1puq h LEU 126 Cb 1.00 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.06 1puq h LEU 126 CO 0.00 0.81 0.46 0.50 -0.13 0.00 0.00 178.44 180.08 1puq h LYS 127 N 0.00 0.74 0.00 1.25 3.64 0.24 0.81 116.57 123.25 1puq h LYS 127 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1puq h LYS 127 Cb 1.54 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1puq h LYS 127 CO 0.11 0.49 0.00 -2.13 -2.27 0.00 0.00 179.45 175.65 1puq n ARG 128 N -4.76 0.09 -0.44 1.90 0.63 -1.24 -5.00 116.66 107.85 1puq n ARG 128 Ca 0.13 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1puq n ARG 128 Cb 0.28 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.46 1puq n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40