#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 2.74 -0.03 2.12 2.20 -0.70 -5.02 119.74 121.06 1puq s LYS 2 Ca 0.00 -0.57 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1puq s LYS 2 Cb 0.00 -2.60 0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1puq s LYS 2 CO 0.00 0.66 0.04 -1.59 -0.36 0.00 0.00 175.35 174.10 1puq s LYS 3 N -0.98 -0.04 -0.06 4.03 -2.85 -1.26 0.42 119.74 119.00 1puq s LYS 3 Ca 0.14 0.23 -0.08 0.00 -1.00 0.00 0.00 55.97 55.26 1puq s LYS 3 Cb -0.11 -0.29 0.02 0.00 -2.06 0.00 0.00 37.83 35.39 1puq s LYS 3 CO 0.03 -0.20 0.22 -0.48 0.10 0.00 0.00 175.35 175.02 1puq s LEU 4 N 1.27 1.18 0.13 2.77 0.05 0.28 -4.93 118.68 119.44 1puq s LEU 4 Ca -0.07 0.31 0.03 0.00 0.05 0.00 0.00 54.13 54.45 1puq s LEU 4 Cb -0.13 0.81 -0.04 0.00 -2.05 0.00 0.00 46.19 44.78 1puq s LEU 4 CO -0.03 -0.16 0.19 -1.10 -0.55 0.00 0.00 176.35 174.70 1puq s GLN 5 N -0.27 3.16 -0.15 1.48 -0.21 -1.26 -1.11 119.66 121.29 1puq s GLN 5 Ca -0.04 -0.69 -0.04 0.00 0.02 0.00 0.00 55.36 54.61 1puq s GLN 5 Cb -0.03 -2.82 0.07 0.00 1.00 0.00 0.00 33.01 31.23 1puq s GLN 5 CO 0.01 0.53 0.25 0.42 -2.12 0.00 0.00 175.29 174.37 1puq s ILE 6 N -1.66 -0.39 0.03 1.08 1.01 0.50 -4.06 121.20 117.72 1puq s ILE 6 Ca 0.32 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.20 1puq s ILE 6 Cb -0.11 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 1puq s ILE 6 CO 0.26 0.02 -0.19 0.00 0.00 0.00 0.00 174.94 175.02 1puq s ALA 7 N 2.39 1.64 0.12 9.38 0.00 -1.26 0.17 121.76 134.20 1puq s ALA 7 Ca 0.04 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1puq s ALA 7 Cb -0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1puq s ALA 7 CO -0.10 0.37 0.19 0.14 0.00 0.00 0.00 175.76 176.36 1puq s VAL 8 N -0.75 0.12 -0.21 0.00 -7.23 0.29 0.04 120.40 112.66 1puq s VAL 8 Ca 0.07 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1puq s VAL 8 Cb -0.08 -1.61 0.08 0.00 0.56 0.00 0.00 36.38 35.33 1puq s VAL 8 CO 0.01 -0.54 0.16 -0.83 -0.31 0.00 0.00 175.10 173.60 1puq s GLY 9 N -2.92 0.19 -0.39 2.32 0.00 0.31 0.98 107.32 107.79 1puq s GLY 9 Ca 0.12 -0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.39 1puq s GLY 9 CO -0.06 2.02 1.67 -0.26 0.00 0.00 0.00 173.10 176.47 1puq s ILE 10 N 2.23 3.61 -0.08 0.90 -5.25 -0.96 -4.34 121.20 117.32 1puq s ILE 10 Ca 0.05 0.60 -0.30 0.00 -0.99 0.00 0.00 60.65 60.02 1puq s ILE 10 Cb -0.16 -3.88 -0.04 0.00 2.95 0.00 0.00 42.46 41.33 1puq s ILE 10 CO -0.15 -0.60 1.40 -0.63 -1.79 0.00 0.00 174.94 173.16 1puq s ILE 11 N 6.59 3.93 -0.20 8.37 1.09 -1.26 -2.62 121.20 137.10 1puq s ILE 11 Ca 0.72 1.19 -0.25 0.00 -1.10 0.00 0.00 60.65 61.21 1puq s ILE 11 Cb -0.18 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.44 1puq s ILE 11 CO 0.32 -0.07 0.82 -0.13 -0.10 0.00 0.00 174.94 175.78 1puq s ARG 12 N 3.21 4.24 0.17 2.79 1.81 -1.22 -1.74 118.95 128.21 1puq s ARG 12 Ca 0.62 0.97 -0.03 0.00 -1.72 0.00 0.00 55.73 55.57 1puq s ARG 12 Cb -0.28 -3.61 0.04 0.00 -0.45 0.00 0.00 34.95 30.65 1puq s ARG 12 CO 0.23 -0.41 0.23 0.27 -0.68 0.00 0.00 175.30 174.93 1puq n ASN 13 N 5.59 -0.03 -0.42 0.23 0.23 0.52 -3.25 115.26 118.13 1puq n ASN 13 Ca 0.05 -1.06 0.01 0.00 -0.53 0.00 0.00 54.58 53.04 1puq n ASN 13 Cb 0.48 -0.17 0.04 0.00 -2.08 0.00 0.00 39.78 38.05 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1puq n GLU 14 N -1.50 1.30 -2.75 -3.83 0.00 -1.26 -3.91 120.64 108.68 1puq n GLU 14 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 57.16 56.86 1puq n GLU 14 Cb 0.10 -1.35 0.06 0.00 0.00 0.00 0.00 31.44 30.26 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 -0.09 0.77 -1.12 4.31 5.15 -1.26 -4.96 115.26 118.05 1puq n ASN 15 Ca 0.03 -2.30 -0.12 0.00 -0.60 0.00 0.00 54.58 51.59 1puq n ASN 15 Cb 0.22 -0.19 -0.05 0.00 -0.53 0.00 0.00 39.78 39.23 1puq n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1puq n ASN 16 N -0.57 -3.98 -4.56 1.20 4.13 -1.25 -4.93 115.26 105.30 1puq n ASN 16 Ca 0.03 0.29 -0.24 0.00 1.68 0.00 0.00 54.58 56.34 1puq n ASN 16 Cb 0.82 -3.38 -0.09 0.00 -1.54 0.00 0.00 39.78 35.59 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 -2.86 1.97 -0.02 3.52 2.02 -1.26 -4.61 118.70 117.46 1puq s GLU 17 Ca 0.00 -1.63 0.07 0.00 0.02 0.00 0.00 54.97 53.43 1puq s GLU 17 Cb 0.00 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 1puq s GLU 17 CO 0.00 0.32 -0.24 0.42 0.02 0.00 0.00 175.26 175.77 1puq s ILE 18 N -2.44 1.91 -0.70 -1.63 1.01 0.13 0.19 121.20 119.68 1puq s ILE 18 Ca 0.31 -1.03 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1puq s ILE 18 Cb -0.05 -1.59 0.08 0.00 0.01 0.00 0.00 42.46 40.91 1puq s ILE 18 CO 0.17 0.54 0.98 0.12 0.00 0.00 0.00 174.94 176.75 1puq s PHE 19 N -0.54 2.74 0.30 3.97 5.36 -0.71 -2.05 117.98 127.05 1puq s PHE 19 Ca 0.09 -0.68 0.09 0.00 -0.96 0.00 0.00 56.93 55.46 1puq s PHE 19 Cb -0.10 -4.28 -0.05 0.00 -0.34 0.00 0.00 43.02 38.25 1puq s PHE 19 CO -0.01 -1.62 0.03 0.96 -1.46 0.00 0.00 175.22 173.12 1puq s ILE 20 N 3.83 3.09 0.44 3.12 -5.25 -1.26 -4.53 121.20 120.63 1puq s ILE 20 Ca 0.23 -1.90 -0.24 0.00 -0.99 0.00 0.00 60.65 57.76 1puq s ILE 20 Cb -0.15 -2.84 -0.08 0.00 2.95 0.00 0.00 42.46 42.34 1puq s ILE 20 CO 0.07 -0.29 1.15 0.42 -1.79 0.00 0.00 174.94 174.51 1puq s THR 21 N -2.41 3.19 -0.32 8.37 -4.23 -0.79 -3.91 115.64 115.55 1puq s THR 21 Ca 0.34 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.78 1puq s THR 21 Cb -0.04 -3.48 0.15 0.00 1.34 0.00 0.00 72.50 70.47 1puq s THR 21 CO 0.20 0.02 0.34 -0.60 -0.54 0.00 0.00 174.62 174.04 1puq s ARG 22 N -2.57 0.46 1.92 3.99 3.52 -1.26 -3.52 118.95 121.49 1puq s ARG 22 Ca 0.61 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 1puq s ARG 22 Cb -0.28 -0.64 0.00 0.00 -1.56 0.00 0.00 34.95 32.47 1puq s ARG 22 CO 0.35 -1.10 0.00 -2.13 -0.81 0.00 0.00 175.30 171.61 1puq n ARG 23 N 4.90 0.00 0.00 5.12 0.63 -1.26 -4.24 116.66 121.81 1puq n ARG 23 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1puq n ARG 23 Cb 0.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 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 6.28 0.00 -1.24 5.13 0.00 -1.26 -4.68 120.51 124.74 1puq n ALA 24 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1puq n ALA 24 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.12 0.00 0.00 0.00 -1.26 -4.74 120.51 114.39 1puq n ALA 25 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1puq n ALA 25 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.78 0.00 0.00 0.00 5.68 -1.26 -5.16 116.55 116.59 1puq n ASP 26 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1puq n ASP 26 Cb 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.00 0.00 -1.94 2.12 0.00 -1.26 -5.18 120.51 114.25 1puq n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.18 -1.48 -2.86 0.00 -0.00 -1.26 -4.81 115.22 104.99 1puq n HIS 28 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1puq n HIS 28 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 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 -0.44 -1.68 0.00 1.57 2.81 -1.26 -4.64 117.12 113.47 1puq n MET 29 Ca 0.00 0.75 0.13 0.00 -1.81 0.00 0.00 57.70 56.77 1puq n MET 29 Cb 0.00 -4.90 0.40 0.00 -0.71 0.00 0.00 33.22 28.01 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 -2.71 3.11 -1.09 3.04 0.00 -1.26 -3.81 120.51 117.79 1puq n ALA 30 Ca -0.05 -0.28 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 1puq n ALA 30 Cb 0.58 -1.23 0.20 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.36 3.96 -0.89 0.00 2.85 -1.25 -4.29 115.26 114.28 1puq n ASN 31 Ca 0.08 -3.45 0.02 0.00 -0.11 0.00 0.00 54.58 51.11 1puq n ASN 31 Cb 0.33 -0.81 0.21 0.00 1.24 0.00 0.00 39.78 40.75 1puq n ASN 31 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1puq n LYS 32 N -0.86 1.98 -0.92 1.20 5.02 -1.08 -3.64 118.16 119.86 1puq n LYS 32 Ca 0.53 -3.05 -0.36 0.00 -2.02 0.00 0.00 58.31 53.41 1puq n LYS 32 Cb 1.57 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 34.77 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 -1.02 3.72 0.00 -0.35 0.00 -0.99 -4.60 117.00 113.76 1puq n LEU 33 Ca 0.26 -2.64 0.00 0.00 0.00 0.00 0.00 56.01 53.64 1puq n LEU 33 Cb 0.91 -1.01 0.00 0.00 0.00 0.00 0.00 43.42 43.32 1puq n LEU 33 CO 0.13 -0.37 0.00 1.21 0.00 0.00 0.00 177.39 178.36 1puq n GLU 34 N 6.37 1.82 -4.55 1.96 2.13 -1.23 -4.01 120.64 123.14 1puq n GLU 34 Ca 0.45 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.00 1puq n GLU 34 Cb 0.32 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.93 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 0.55 2.49 0.67 4.31 0.40 -1.26 -1.88 117.98 123.26 1puq s PHE 35 Ca 0.00 -0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 55.66 1puq s PHE 35 Cb 0.00 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.92 1puq s PHE 35 CO 0.00 0.48 1.00 -1.25 0.70 0.00 0.00 175.22 176.15 1puq s PRO 36 N -3.69 2.60 0.00 0.24 0.04 -1.26 -4.47 135.00 128.46 1puq s PRO 36 Ca 0.35 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1puq s PRO 36 Cb 0.07 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1puq s PRO 36 CO 0.18 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1puq n GLY 37 N -2.84 0.28 3.66 0.56 0.00 -1.26 0.11 105.19 105.71 1puq n GLY 37 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.54 1.59 0.00 -0.02 0.00 0.11 -3.86 107.32 103.60 1puq s GLY 38 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1puq s GLY 38 CO 0.00 0.44 0.00 1.17 0.00 0.00 0.00 173.10 174.71 1puq n LYS 39 N -4.20 0.00 -0.12 2.90 4.81 -1.26 -4.89 118.16 115.41 1puq n LYS 39 Ca 0.06 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 57.77 1puq n LYS 39 Cb 0.55 -2.23 0.72 0.00 0.02 0.00 0.00 35.03 34.10 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 0.47 -0.65 3.15 3.07 -1.81 -2.40 117.51 119.33 1puq h ILE 40 Ca 0.00 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.47 1puq h ILE 40 Cb 0.00 0.54 -0.08 0.00 -0.27 0.00 0.00 36.82 37.01 1puq h ILE 40 CO 0.00 0.00 -0.39 1.05 -1.05 0.00 0.00 178.15 177.76 1puq h GLU 41 N 0.00 -0.00 0.00 0.16 -0.00 -1.90 -3.34 114.58 109.50 1puq h GLU 41 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.73 1puq h GLU 41 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.38 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 -4.48 0.00 -0.57 1.06 2.81 -0.91 -3.67 117.12 111.36 1puq n MET 42 Ca 0.01 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.89 1puq n MET 42 Cb 0.17 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.67 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 -0.25 0.00 3.03 0.00 -1.25 -5.15 105.19 101.57 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 0.00 0.35 -3.97 1.61 4.71 -1.24 -5.09 120.64 117.01 1puq n GLU 44 Ca -0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.82 1puq n GLU 44 Cb 0.33 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.72 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 -0.53 5.12 0.61 2.62 2.01 -1.26 -4.80 115.64 119.41 1puq s THR 45 Ca 0.00 -0.68 0.27 0.00 0.31 0.00 0.00 61.69 61.59 1puq s THR 45 Cb 0.00 -3.58 0.38 0.00 0.01 0.00 0.00 72.50 69.31 1puq s THR 45 CO 0.00 -0.01 1.48 1.55 -0.69 0.00 0.00 174.62 176.95 1puq h PRO 46 N 2.55 0.00 0.00 4.92 0.13 -1.99 1.19 132.00 138.81 1puq h PRO 46 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 1puq h PRO 46 Cb 1.18 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 -2.19 0.39 -0.23 0.00 0.00 178.00 176.66 1puq n GLU 47 N -3.35 0.51 0.00 0.86 -0.58 -1.26 -4.47 120.64 112.35 1puq n GLU 47 Ca 0.18 0.13 0.15 0.00 -0.42 0.00 0.00 57.16 57.20 1puq n GLU 47 Cb 1.26 -1.40 0.75 0.00 -0.57 0.00 0.00 31.44 31.48 1puq n GLU 47 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1puq n GLN 48 N -3.22 0.44 0.30 3.49 6.02 -0.12 -3.54 117.38 120.75 1puq n GLN 48 Ca -0.38 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.43 1puq n GLN 48 Cb 0.88 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.56 1puq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1puq h ALA 49 N 3.43 -0.72 0.05 -1.58 0.00 0.11 0.22 119.26 120.79 1puq h ALA 49 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1puq h ALA 49 Cb 0.29 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1puq h ALA 49 CO 0.00 -0.90 -0.43 -0.39 0.00 0.00 0.00 179.25 177.53 1puq h VAL 50 N -0.72 1.58 -0.85 0.00 -1.51 -1.82 -2.46 116.25 110.48 1puq h VAL 50 Ca -0.07 -2.27 0.12 0.00 -1.23 0.00 0.00 66.70 63.24 1puq h VAL 50 Cb 0.55 3.06 -0.06 0.00 -2.13 0.00 0.00 31.29 32.71 1puq h VAL 50 CO 0.12 0.63 0.55 0.58 -1.23 0.00 0.00 177.57 178.22 1puq h VAL 51 N -0.53 0.89 0.02 7.19 2.07 -1.63 0.60 116.25 124.87 1puq h VAL 51 Ca -0.07 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1puq h VAL 51 Cb 1.27 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1puq h VAL 51 CO 0.08 0.13 -0.01 0.03 0.02 0.00 0.00 177.57 177.82 1puq h ARG 52 N 0.72 -0.02 0.00 1.57 2.47 -1.04 -3.26 114.38 114.82 1puq h ARG 52 Ca 0.41 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1puq h ARG 52 Cb 0.58 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1puq h ARG 52 CO -0.17 0.71 -0.00 0.93 0.56 0.00 0.00 179.97 181.99 1puq h GLU 53 N -0.93 0.00 -0.49 0.04 4.39 -1.09 -2.24 114.58 114.25 1puq h GLU 53 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1puq h GLU 53 Cb 0.74 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1puq h GLU 53 CO 0.00 0.00 0.32 1.25 -1.16 0.00 0.00 179.01 179.42 1puq h LEU 54 N 0.00 0.57 -1.42 1.33 5.85 0.17 0.42 115.31 122.23 1puq h LEU 54 Ca -0.00 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1puq h LEU 54 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1puq h LEU 54 CO 0.00 0.43 -0.25 -0.61 -0.34 0.00 0.00 178.44 177.67 1puq h GLN 55 N 0.66 0.06 0.00 1.25 4.15 -1.52 0.39 115.11 120.11 1puq h GLN 55 Ca 0.18 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.44 1puq h GLN 55 Cb -0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1puq h GLN 55 CO -0.04 0.31 -0.69 1.49 -1.93 0.00 0.00 178.83 177.98 1puq h GLU 56 N 0.06 0.00 -0.30 1.69 4.81 -1.24 -0.65 114.58 118.94 1puq h GLU 56 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1puq h GLU 56 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1puq h GLU 56 CO 0.03 0.69 0.00 -1.91 -0.73 0.00 0.00 179.01 177.09 1puq n GLU 57 N -3.41 2.25 0.00 1.92 4.07 0.14 -0.80 120.64 124.81 1puq n GLU 57 Ca 0.00 -1.91 0.00 0.00 -0.06 0.00 0.00 57.16 55.19 1puq n GLU 57 Cb 0.76 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1puq n VAL 58 N 0.75 0.00 -1.00 6.31 0.31 0.13 -3.88 118.33 120.94 1puq n VAL 58 Ca 0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1puq n VAL 58 Cb 0.43 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.88 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 2.09 0.56 0.00 2.92 0.00 -0.25 -1.69 105.19 108.82 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 -1.67 0.00 -3.67 -0.61 -5.35 -1.26 -4.89 119.36 101.90 1puq n ILE 60 Ca -0.06 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.05 1puq n ILE 60 Cb 0.42 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.23 1puq n ILE 60 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1puq s THR 61 N -0.94 3.98 -0.07 7.28 -1.32 -1.26 -4.94 115.64 118.37 1puq s THR 61 Ca 0.00 -3.08 0.02 0.00 -1.21 0.00 0.00 61.69 57.42 1puq s THR 61 Cb 0.00 -3.56 -0.02 0.00 -1.51 0.00 0.00 72.50 67.41 1puq s THR 61 CO 0.00 -0.93 -0.13 -2.16 -2.21 0.00 0.00 174.62 169.19 1puq s PRO 62 N -0.28 2.72 -1.23 7.08 0.04 -1.26 -0.79 135.00 141.28 1puq s PRO 62 Ca 0.19 -0.68 -0.20 0.00 0.04 0.00 0.00 61.00 60.35 1puq s PRO 62 Cb -0.17 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1puq s PRO 62 CO -0.05 0.54 1.86 1.04 0.04 0.00 0.00 177.00 180.43 1puq n GLN 63 N 2.56 2.37 -5.07 4.56 6.02 0.09 -4.81 117.38 123.09 1puq n GLN 63 Ca -0.17 -2.82 -0.32 0.00 -0.01 0.00 0.00 57.00 53.67 1puq n GLN 63 Cb 0.52 -3.58 -0.16 0.00 1.02 0.00 0.00 30.24 28.05 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 7.41 2.64 0.06 1.08 2.46 -1.26 0.04 115.29 127.71 1puq s HIS 64 Ca 0.61 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 55.26 1puq s HIS 64 Cb 0.03 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.73 1puq s HIS 64 CO 0.10 -0.32 0.00 0.34 -2.47 0.00 0.00 174.74 172.39 1puq n PHE 65 N 3.45 -1.98 -0.73 3.88 7.35 -1.08 -4.95 117.46 123.41 1puq n PHE 65 Ca -0.19 0.19 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 1puq n PHE 65 Cb 0.53 0.76 0.02 0.00 0.35 0.00 0.00 39.48 41.14 1puq n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1puq n SER 66 N -2.71 -3.63 -4.21 -2.13 7.64 -0.04 -4.44 113.62 104.10 1puq n SER 66 Ca 0.00 0.22 -0.33 0.00 1.01 0.00 0.00 58.87 59.77 1puq n SER 66 Cb 0.00 -0.53 -0.16 0.00 -1.01 0.00 0.00 64.21 62.51 1puq n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1puq s LEU 67 N 4.83 2.36 -0.13 -3.43 0.20 -1.26 0.28 118.68 121.53 1puq s LEU 67 Ca 0.31 -0.54 -0.11 0.00 0.69 0.00 0.00 54.13 54.48 1puq s LEU 67 Cb -0.19 -1.54 -0.09 0.00 -0.43 0.00 0.00 46.19 43.94 1puq s LEU 67 CO 0.53 0.05 0.21 0.15 -0.29 0.00 0.00 176.35 177.00 1puq h PHE 68 N 7.58 0.00 -1.80 5.38 3.04 -1.66 -3.41 116.94 126.07 1puq h PHE 68 Ca -0.37 0.00 0.18 0.00 3.98 0.00 0.00 57.97 61.76 1puq h PHE 68 Cb 1.17 0.00 -0.18 0.00 2.56 0.00 0.00 35.95 39.50 1puq h PHE 68 CO 0.50 0.41 0.67 -2.00 -2.02 0.00 0.00 178.31 175.87 1puq s GLU 69 N -1.91 0.53 -0.21 1.11 2.12 0.33 -4.99 118.70 115.68 1puq s GLU 69 Ca -0.10 -0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1puq s GLU 69 Cb -0.00 0.24 0.09 0.00 0.26 0.00 0.00 34.13 34.72 1puq s GLU 69 CO 0.28 -0.23 0.17 -1.59 -0.54 0.00 0.00 175.26 173.36 1puq s LYS 70 N -2.60 0.16 0.05 4.30 0.00 -1.26 0.15 119.74 120.53 1puq s LYS 70 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 55.97 56.00 1puq s LYS 70 Cb -0.01 -1.38 -0.05 0.00 0.00 0.00 0.00 37.83 36.39 1puq s LYS 70 CO -0.06 -0.72 0.31 -1.17 0.00 0.00 0.00 175.35 173.70 1puq s LEU 71 N 2.25 4.35 -0.18 2.77 0.20 0.39 -4.93 118.68 123.52 1puq s LEU 71 Ca 0.06 0.58 -0.05 0.00 0.69 0.00 0.00 54.13 55.41 1puq s LEU 71 Cb -0.16 -2.87 0.06 0.00 -0.43 0.00 0.00 46.19 42.79 1puq s LEU 71 CO -0.15 0.19 0.08 -0.70 -0.29 0.00 0.00 176.35 175.49 1puq s GLU 72 N -2.03 0.17 0.03 1.98 2.12 -1.26 -0.14 118.70 119.57 1puq s GLU 72 Ca 0.32 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.48 1puq s GLU 72 Cb -0.13 -1.88 -0.02 0.00 0.26 0.00 0.00 34.13 32.36 1puq s GLU 72 CO 0.19 -0.67 0.01 1.52 -0.54 0.00 0.00 175.26 175.77 1puq s TYR 73 N 2.09 0.28 -0.07 5.30 1.13 -1.14 -5.02 117.35 119.92 1puq s TYR 73 Ca 0.02 -0.60 0.05 0.00 -1.41 0.00 0.00 57.07 55.13 1puq s TYR 73 Cb -0.16 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.48 1puq s TYR 73 CO -0.09 -0.27 -0.23 -1.83 -2.51 0.00 0.00 175.55 170.62 1puq s GLU 74 N -2.19 2.52 0.35 -3.49 -1.05 -1.26 -2.34 118.70 111.25 1puq s GLU 74 Ca -0.09 -0.84 0.03 0.00 -0.15 0.00 0.00 54.97 53.93 1puq s GLU 74 Cb -0.04 -2.07 -0.02 0.00 -0.44 0.00 0.00 34.13 31.56 1puq s GLU 74 CO -0.03 0.30 0.52 -0.06 0.95 0.00 0.00 175.26 176.93 1puq s PHE 75 N 0.02 3.27 -0.82 4.83 0.08 0.32 -4.91 117.98 120.77 1puq s PHE 75 Ca -0.08 0.04 -0.21 0.00 0.12 0.00 0.00 56.93 56.81 1puq s PHE 75 Cb -0.15 -1.99 -0.18 0.00 -0.57 0.00 0.00 43.02 40.13 1puq s PHE 75 CO 0.05 -0.00 1.94 -0.35 -0.10 0.00 0.00 175.22 176.75 1puq n PRO 76 N -1.75 0.14 -0.19 0.24 -0.04 -1.26 0.01 135.00 132.15 1puq n PRO 76 Ca -0.02 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1puq n PRO 76 Cb 0.57 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 16.08 -0.37 -3.56 3.54 2.03 -1.26 -5.04 116.55 127.98 1puq n ASP 77 Ca 0.35 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.37 1puq n ASP 77 Cb 0.45 -0.06 -0.13 0.00 -0.72 0.00 0.00 41.12 40.66 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1puq s ARG 78 N -0.81 0.58 -0.56 -0.67 3.52 0.10 -1.71 118.95 119.40 1puq s ARG 78 Ca 0.00 -1.18 -0.22 0.00 -0.13 0.00 0.00 55.73 54.19 1puq s ARG 78 Cb 0.00 -1.51 0.05 0.00 -1.56 0.00 0.00 34.95 31.94 1puq s ARG 78 CO 0.00 -1.12 0.86 -1.58 -0.81 0.00 0.00 175.30 172.64 1puq s HIS 79 N 1.31 2.85 -0.14 5.12 5.65 0.17 0.12 115.29 130.36 1puq s HIS 79 Ca 0.14 -0.25 -0.03 0.00 0.25 0.00 0.00 55.06 55.18 1puq s HIS 79 Cb -0.21 -3.96 -0.02 0.00 -1.18 0.00 0.00 32.58 27.20 1puq s HIS 79 CO -0.13 -1.31 -0.06 -1.50 -0.65 0.00 0.00 174.74 171.09 1puq s ILE 80 N 3.59 3.70 -0.25 0.89 2.07 -0.99 0.10 121.20 130.32 1puq s ILE 80 Ca 0.25 -0.43 -0.06 0.00 -1.41 0.00 0.00 60.65 59.00 1puq s ILE 80 Cb -0.15 -2.60 -0.01 0.00 0.13 0.00 0.00 42.46 39.83 1puq s ILE 80 CO 0.16 0.51 0.03 0.42 -1.91 0.00 0.00 174.94 174.14 1puq s THR 81 N 0.25 3.83 -0.30 4.00 -4.23 -0.27 -2.90 115.64 116.02 1puq s THR 81 Ca -0.04 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.96 1puq s THR 81 Cb -0.14 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1puq s THR 81 CO 0.03 0.30 0.08 -0.22 -0.54 0.00 0.00 174.62 174.28 1puq s LEU 82 N 1.53 3.90 -0.19 4.79 1.98 0.80 0.19 118.68 131.67 1puq s LEU 82 Ca 0.05 -0.77 -0.02 0.00 -2.89 0.00 0.00 54.13 50.50 1puq s LEU 82 Cb -0.15 -1.87 -0.00 0.00 0.66 0.00 0.00 46.19 44.82 1puq s LEU 82 CO 0.00 -0.21 -0.10 0.26 -1.89 0.00 0.00 176.35 174.42 1puq s TRP 83 N 1.48 2.88 -0.24 5.38 0.52 0.44 0.15 118.94 129.55 1puq s TRP 83 Ca 0.02 -1.03 -0.03 0.00 0.02 0.00 0.00 56.10 55.09 1puq s TRP 83 Cb -0.17 -2.00 0.01 0.00 -1.15 0.00 0.00 33.47 30.16 1puq s TRP 83 CO 0.02 -0.53 -0.05 -0.06 0.02 0.00 0.00 176.95 176.35 1puq s PHE 84 N 1.16 3.02 0.06 -1.98 0.08 0.39 0.10 117.98 120.81 1puq s PHE 84 Ca 0.01 -1.33 0.03 0.00 0.12 0.00 0.00 56.93 55.76 1puq s PHE 84 Cb -0.14 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1puq s PHE 84 CO -0.03 -0.67 0.04 -1.58 -0.10 0.00 0.00 175.22 172.88 1puq s TRP 85 N 1.38 3.13 -0.01 0.36 0.52 0.27 -0.51 118.94 124.08 1puq s TRP 85 Ca 0.02 0.07 -0.15 0.00 0.02 0.00 0.00 56.10 56.06 1puq s TRP 85 Cb -0.16 -1.62 -0.06 0.00 -1.15 0.00 0.00 33.47 30.48 1puq s TRP 85 CO -0.04 0.50 0.42 -1.17 0.02 0.00 0.00 176.95 176.68 1puq s LEU 86 N -2.12 4.45 0.06 2.99 2.96 0.80 -2.27 118.68 125.55 1puq s LEU 86 Ca 0.26 0.95 0.09 0.00 -0.22 0.00 0.00 54.13 55.20 1puq s LEU 86 Cb -0.12 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1puq s LEU 86 CO 0.18 0.28 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.55 1puq s VAL 87 N -0.84 2.02 -0.12 1.68 1.01 -1.08 -0.86 120.40 122.22 1puq s VAL 87 Ca 0.24 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.86 1puq s VAL 87 Cb -0.17 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 1puq s VAL 87 CO 0.13 0.26 0.17 -0.62 0.00 0.00 0.00 175.10 175.04 1puq n GLU 88 N 1.62 2.31 -3.54 2.72 1.02 0.11 -3.38 120.64 121.50 1puq n GLU 88 Ca -0.17 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 56.85 1puq n GLU 88 Cb 0.52 -0.98 -0.02 0.00 -0.02 0.00 0.00 31.44 30.95 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 -2.02 1.16 -0.26 3.49 6.06 -0.16 -4.65 118.95 122.57 1puq s ARG 89 Ca -0.00 -0.49 -0.11 0.00 -2.50 0.00 0.00 55.73 52.63 1puq s ARG 89 Cb 0.04 0.50 0.10 0.00 0.06 0.00 0.00 34.95 35.65 1puq s ARG 89 CO 0.23 -0.52 0.59 1.67 -2.50 0.00 0.00 175.30 174.78 1puq s TRP 90 N -3.49 -1.10 0.37 5.12 -2.14 -1.25 -0.73 118.94 115.71 1puq s TRP 90 Ca 0.05 2.03 -0.24 0.00 2.66 0.00 0.00 56.10 60.60 1puq s TRP 90 Cb -0.02 0.62 -0.10 0.00 -3.10 0.00 0.00 33.47 30.87 1puq s TRP 90 CO -0.08 -0.57 0.96 -2.00 -2.66 0.00 0.00 176.95 172.60 1puq s GLU 91 N 2.39 4.42 7.99 3.25 2.56 0.03 -4.79 118.70 134.55 1puq s GLU 91 Ca -0.06 1.27 0.00 0.00 0.00 0.00 0.00 54.97 56.18 1puq s GLU 91 Cb -0.10 -2.56 0.00 0.00 2.00 0.00 0.00 34.13 33.48 1puq s GLU 91 CO -0.17 0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.07 1puq n GLY 92 N 0.12 4.24 2.93 -1.50 0.00 -1.26 -4.36 105.19 105.36 1puq n GLY 92 Ca 0.04 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 0.62 0.01 1.61 2.02 -1.26 -5.13 118.70 116.57 1puq s GLU 93 Ca 0.00 -0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.53 1puq s GLU 93 Cb 0.00 -0.63 -0.04 0.00 0.10 0.00 0.00 34.13 33.56 1puq s GLU 93 CO 0.00 0.03 1.12 -2.14 0.02 0.00 0.00 175.26 174.29 1puq s PRO 94 N 0.37 4.46 0.17 0.39 0.02 -1.26 -4.76 135.00 134.38 1puq s PRO 94 Ca -0.04 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1puq s PRO 94 Cb -0.08 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1puq s PRO 94 CO -0.00 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1puq n TRP 95 N 4.19 -1.12 0.00 6.54 4.27 -0.68 -4.99 117.44 125.64 1puq n TRP 95 Ca 0.08 0.20 0.00 0.00 -3.89 0.00 0.00 57.50 53.89 1puq n TRP 95 Cb 0.48 0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.71 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 2.53 0.57 0.00 -1.67 0.00 -1.15 -3.95 105.19 101.51 1puq n GLY 96 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.06 1.61 4.76 0.02 -4.68 118.16 119.81 1puq n LYS 97 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1puq n LYS 97 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 1puq n LYS 97 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1puq n GLU 98 N 0.00 0.70 0.00 1.97 -0.00 -1.25 -4.77 120.64 117.28 1puq n GLU 98 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1puq n GLU 98 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 31.44 29.82 1puq n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1puq n GLY 99 N 2.06 -0.54 3.69 -1.84 0.00 -1.26 -4.99 105.19 102.31 1puq n GLY 99 Ca -0.37 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1puq n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1puq s GLN 100 N 0.00 4.43 0.35 1.61 1.11 -1.26 -4.98 119.66 120.92 1puq s GLN 100 Ca 0.00 1.49 -0.24 0.00 0.01 0.00 0.00 55.36 56.62 1puq s GLN 100 Cb 0.00 -3.52 -0.15 0.00 -1.01 0.00 0.00 33.01 28.34 1puq s GLN 100 CO 0.00 -0.29 0.46 -2.30 0.01 0.00 0.00 175.29 173.16 1puq n PRO 101 N 4.78 0.35 -4.41 2.91 -0.02 -1.26 -4.03 135.00 133.32 1puq n PRO 101 Ca 0.09 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.47 1puq n PRO 101 Cb 0.48 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.60 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 -0.94 2.41 0.20 -1.23 0.00 -1.26 -4.00 107.32 102.50 1puq s GLY 102 Ca 0.62 -1.58 0.09 0.00 0.00 0.00 0.00 44.72 43.85 1puq s GLY 102 CO 0.59 -1.68 -0.18 1.85 0.00 0.00 0.00 173.10 173.69 1puq s GLU 103 N -3.66 1.39 -0.32 2.90 2.12 -1.25 -4.93 118.70 114.94 1puq s GLU 103 Ca 0.31 -1.54 -0.28 0.00 0.36 0.00 0.00 54.97 53.82 1puq s GLU 103 Cb 0.03 -1.39 -0.06 0.00 0.26 0.00 0.00 34.13 32.97 1puq s GLU 103 CO 0.19 0.27 2.29 0.91 -0.54 0.00 0.00 175.26 178.38 1puq n TRP 104 N -0.08 1.77 -4.45 5.30 8.01 -1.26 -4.17 117.44 122.55 1puq n TRP 104 Ca -0.10 -0.03 -0.24 0.00 -1.31 0.00 0.00 57.50 55.82 1puq n TRP 104 Cb 0.58 -2.69 -0.10 0.00 -2.01 0.00 0.00 31.31 27.09 1puq n TRP 104 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1puq s MET 105 N 6.99 1.63 -0.21 -0.99 -1.94 -0.87 -4.91 119.30 119.00 1puq s MET 105 Ca 1.01 -1.72 -0.29 0.00 -1.71 0.00 0.00 55.69 52.98 1puq s MET 105 Cb -0.32 -1.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 1puq s MET 105 CO 0.33 0.33 1.29 -1.54 -0.01 0.00 0.00 175.02 175.42 1puq s SER 106 N -3.37 6.83 0.46 3.03 1.04 -1.26 0.17 113.70 120.61 1puq s SER 106 Ca 0.28 1.54 0.30 0.00 0.48 0.00 0.00 55.95 58.55 1puq s SER 106 Cb -0.05 -2.54 1.17 0.00 0.10 0.00 0.00 66.02 64.70 1puq s SER 106 CO 0.14 -0.89 1.88 0.25 0.98 0.00 0.00 173.24 175.60 1puq h LEU 107 N 10.18 0.00 -0.58 2.42 7.12 -1.83 -2.96 115.31 129.66 1puq h LEU 107 Ca -0.27 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.74 1puq h LEU 107 Cb 1.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1puq h LEU 107 CO 0.99 0.00 0.00 0.55 -0.13 0.00 0.00 178.44 179.85 1puq n VAL 108 N -2.87 1.50 -2.65 1.05 3.14 -1.26 -2.53 118.33 114.70 1puq n VAL 108 Ca 0.01 0.56 -0.15 0.00 -2.96 0.00 0.00 64.34 61.81 1puq n VAL 108 Cb 0.31 -1.54 0.02 0.00 -1.06 0.00 0.00 33.84 31.57 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 -1.23 2.87 3.74 7.55 0.00 -1.12 -5.07 105.19 111.92 1puq n GLY 109 Ca -0.00 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1puq n GLY 109 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1puq s LEU 110 N -3.19 3.56 -0.35 0.99 0.05 -1.05 -5.00 118.68 113.68 1puq s LEU 110 Ca 0.34 2.52 -0.07 0.00 0.05 0.00 0.00 54.13 56.97 1puq s LEU 110 Cb 0.43 -4.61 0.05 0.00 -2.05 0.00 0.00 46.19 40.01 1puq s LEU 110 CO -0.03 -1.93 0.14 0.21 -0.55 0.00 0.00 176.35 174.18 1puq s ASN 111 N -1.54 5.39 0.42 1.48 3.84 -1.26 -4.93 114.94 118.34 1puq s ASN 111 Ca 0.80 -1.21 0.29 0.00 0.21 0.00 0.00 52.86 52.95 1puq s ASN 111 Cb -0.34 -1.89 1.06 0.00 -0.55 0.00 0.00 41.25 39.53 1puq s ASN 111 CO 0.39 -0.37 1.84 0.00 -2.79 0.00 0.00 177.10 176.17 1puq h ALA 112 N 8.25 1.00 0.04 1.71 0.00 -1.94 -2.65 119.26 125.67 1puq h ALA 112 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1puq h ALA 112 Cb 1.08 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1puq h ALA 112 CO 0.63 0.00 -0.28 0.22 0.00 0.00 0.00 179.25 179.82 1puq h ASP 113 N 0.00 0.18 0.37 0.00 3.58 -1.93 -3.33 116.42 115.30 1puq h ASP 113 Ca 0.00 -0.93 -0.07 0.00 0.42 0.00 0.00 57.03 56.45 1puq h ASP 113 Cb 0.56 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1puq h ASP 113 CO 0.00 1.10 -0.32 -0.78 -2.88 0.00 0.00 179.24 176.35 1puq h ASP 114 N -0.71 0.00 -2.79 2.28 3.58 -1.86 -3.44 116.42 113.47 1puq h ASP 114 Ca -0.05 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.95 1puq h ASP 114 Cb 1.18 0.00 0.08 0.00 1.72 0.00 0.00 39.33 42.30 1puq h ASP 114 CO 0.05 0.32 0.12 0.72 -2.88 0.00 0.00 179.24 177.57 1puq s PHE 115 N -4.22 2.30 0.10 0.28 -0.71 -1.00 -2.34 117.98 112.39 1puq s PHE 115 Ca -0.03 0.02 -0.34 0.00 -1.04 0.00 0.00 56.93 55.54 1puq s PHE 115 Cb 0.14 -3.05 -0.14 0.00 -1.21 0.00 0.00 43.02 38.77 1puq s PHE 115 CO 0.71 -1.45 1.62 -0.35 -1.34 0.00 0.00 175.22 174.41 1puq n PRO 116 N -2.77 2.05 -0.01 1.99 -0.04 -1.24 -4.85 135.00 130.13 1puq n PRO 116 Ca 0.11 0.74 -0.07 0.00 -0.04 0.00 0.00 63.50 64.24 1puq n PRO 116 Cb 0.60 -2.51 0.11 0.00 -0.04 0.00 0.00 33.50 31.66 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 6.48 0.58 0.00 0.54 0.13 -1.87 -2.73 132.00 135.13 1puq h PRO 117 Ca -0.46 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1puq h PRO 117 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1puq h PRO 117 CO 0.89 0.86 0.00 0.00 -0.23 0.00 0.00 178.00 179.53 1puq n ALA 118 N -2.50 1.81 -1.08 -0.56 0.00 -1.26 -2.25 120.51 114.67 1puq n ALA 118 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1puq n ALA 118 Cb 0.50 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.49 4.18 0.10 0.00 3.02 -1.03 -4.59 115.26 115.45 1puq n ASN 119 Ca 0.04 -3.21 -0.05 0.00 -0.03 0.00 0.00 54.58 51.34 1puq n ASN 119 Cb 0.20 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.75 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 2.19 0.05 -1.33 3.52 4.81 -1.52 -3.35 114.58 118.94 1puq h GLU 120 Ca 0.13 -0.05 0.42 0.00 -0.13 0.00 0.00 59.36 59.73 1puq h GLU 120 Cb 1.84 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 31.12 1puq h GLU 120 CO 0.46 0.84 0.88 -1.35 -0.73 0.00 0.00 179.01 179.10 1puq h PRO 121 N 0.03 0.11 0.01 0.92 0.11 -1.84 1.54 132.00 132.87 1puq h PRO 121 Ca -0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1puq h PRO 121 Cb 1.45 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1puq h PRO 121 CO 0.11 0.07 -0.01 0.28 -0.21 0.00 0.00 178.00 178.25 1puq h VAL 122 N 0.11 1.51 -0.16 3.15 2.07 -1.96 -3.32 116.25 117.65 1puq h VAL 122 Ca 0.79 -1.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1puq h VAL 122 Cb 2.52 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 35.05 1puq h VAL 122 CO -0.34 0.48 -0.16 0.40 0.02 0.00 0.00 177.57 177.97 1puq h ILE 123 N -0.91 1.20 -0.38 4.57 1.08 -1.03 -2.33 117.51 119.71 1puq h ILE 123 Ca -0.00 -0.89 0.11 0.00 -0.39 0.00 0.00 64.86 63.69 1puq h ILE 123 Cb 0.80 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 1puq h ILE 123 CO 0.00 0.28 0.34 0.00 -0.69 0.00 0.00 178.15 178.08 1puq h ALA 124 N 1.60 2.15 0.00 1.87 0.00 0.20 1.64 119.26 126.71 1puq h ALA 124 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1puq h ALA 124 Cb 0.43 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1puq h ALA 124 CO 0.03 -0.54 -0.03 0.87 0.00 0.00 0.00 179.25 179.58 1puq h LYS 125 N 0.00 0.00 0.00 0.00 1.57 -1.54 -3.33 116.57 113.27 1puq h LYS 125 Ca 0.18 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1puq h LYS 125 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1puq h LYS 125 CO -0.00 0.92 -0.64 1.25 -0.57 0.00 0.00 179.45 180.41 1puq h LEU 126 N -1.00 0.00 -0.83 2.94 7.12 -1.41 -3.26 115.31 118.87 1puq h LEU 126 Ca -0.01 0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.10 1puq h LEU 126 Cb 0.92 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.98 1puq h LEU 126 CO -0.00 0.64 0.47 0.50 -0.13 0.00 0.00 178.44 179.91 1puq h LYS 127 N 0.00 0.76 0.00 1.25 3.64 0.23 0.89 116.57 123.33 1puq h LYS 127 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1puq h LYS 127 Cb 1.39 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1puq h LYS 127 CO 0.08 0.50 0.00 -2.13 -2.27 0.00 0.00 179.45 175.63 1puq n ARG 128 N -4.75 0.10 -0.34 1.90 0.63 -1.23 -5.08 116.66 107.89 1puq n ARG 128 Ca 0.14 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1puq n ARG 128 Cb 0.29 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.43 1puq n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40