#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 3.36 -0.00 3.17 2.20 -1.18 -5.06 119.74 122.23 1puq s LYS 2 Ca 0.00 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1puq s LYS 2 Cb 0.00 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1puq s LYS 2 CO 0.00 0.46 0.01 -1.59 -0.36 0.00 0.00 175.35 173.86 1puq s LYS 3 N -0.21 -0.00 -0.11 4.03 0.00 -1.26 -0.43 119.74 121.76 1puq s LYS 3 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 55.97 55.99 1puq s LYS 3 Cb -0.13 -0.02 0.06 0.00 0.00 0.00 0.00 37.83 37.74 1puq s LYS 3 CO 0.02 -0.02 0.24 -0.48 0.00 0.00 0.00 175.35 175.12 1puq s LEU 4 N 0.10 -0.01 0.05 2.77 0.05 0.33 -4.93 118.68 117.04 1puq s LEU 4 Ca -0.01 0.53 0.01 0.00 0.05 0.00 0.00 54.13 54.71 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 -0.21 0.14 -1.10 -0.55 0.00 0.00 176.35 174.62 1puq s GLN 5 N 1.98 3.18 -0.11 1.48 -0.21 -1.26 -0.84 119.66 123.87 1puq s GLN 5 Ca -0.02 -0.53 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 1puq s GLN 5 Cb -0.11 -2.90 0.05 0.00 1.00 0.00 0.00 33.01 31.05 1puq s GLN 5 CO -0.08 0.60 0.25 -1.50 -2.12 0.00 0.00 175.29 172.44 1puq s ILE 6 N -1.40 -0.20 -0.11 1.08 1.10 0.17 -3.62 121.20 118.21 1puq s ILE 6 Ca 0.30 0.21 0.02 0.00 -0.51 0.00 0.00 60.65 60.67 1puq s ILE 6 Cb -0.13 -0.40 0.01 0.00 0.15 0.00 0.00 42.46 42.10 1puq s ILE 6 CO 0.23 0.09 -0.16 0.00 -2.11 0.00 0.00 174.94 172.99 1puq s ALA 7 N 1.77 1.72 0.18 1.50 0.00 -1.24 0.47 121.76 126.16 1puq s ALA 7 Ca -0.05 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1puq s ALA 7 Cb -0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 1puq s ALA 7 CO -0.08 -0.07 -0.07 0.14 0.00 0.00 0.00 175.76 175.68 1puq s VAL 8 N 0.97 1.15 -0.16 0.00 -7.23 0.22 -3.02 120.40 112.33 1puq s VAL 8 Ca -0.07 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 1puq s VAL 8 Cb -0.15 -2.05 0.06 0.00 0.56 0.00 0.00 36.38 34.81 1puq s VAL 8 CO -0.01 -0.58 0.12 -0.83 -0.31 0.00 0.00 175.10 173.48 1puq s GLY 9 N -3.23 0.26 -0.37 2.32 0.00 -0.87 0.14 107.32 105.57 1puq s GLY 9 Ca 0.21 -0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.53 1puq s GLY 9 CO 0.04 1.78 1.66 -0.26 0.00 0.00 0.00 173.10 176.32 1puq s ILE 10 N 2.18 3.62 -0.01 0.90 -4.36 -0.95 -4.47 121.20 118.12 1puq s ILE 10 Ca 0.03 0.62 -0.30 0.00 -0.26 0.00 0.00 60.65 60.75 1puq s ILE 10 Cb -0.15 -3.87 -0.05 0.00 1.25 0.00 0.00 42.46 39.64 1puq s ILE 10 CO -0.09 -0.57 1.38 -0.63 0.24 0.00 0.00 174.94 175.28 1puq s ILE 11 N 6.45 3.77 -0.24 8.37 1.01 -1.26 -2.74 121.20 136.57 1puq s ILE 11 Ca 0.72 1.14 -0.21 0.00 0.00 0.00 0.00 60.65 62.31 1puq s ILE 11 Cb -0.19 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1puq s ILE 11 CO 0.33 -0.01 0.64 -0.13 0.00 0.00 0.00 174.94 175.77 1puq s ARG 12 N 2.45 4.15 0.29 2.79 1.81 -1.24 -1.73 118.95 127.47 1puq s ARG 12 Ca 0.63 0.59 -0.04 0.00 -1.72 0.00 0.00 55.73 55.18 1puq s ARG 12 Cb -0.31 -3.63 0.07 0.00 -0.45 0.00 0.00 34.95 30.63 1puq s ARG 12 CO 0.26 -0.36 0.39 0.27 -0.68 0.00 0.00 175.30 175.18 1puq n ASN 13 N 5.51 0.07 -0.05 0.23 0.23 0.41 -3.11 115.26 118.55 1puq n ASN 13 Ca -0.01 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 1puq n ASN 13 Cb 0.49 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 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 -1.82 0.97 -2.64 -3.83 2.13 -1.26 -3.87 120.64 110.32 1puq n GLU 14 Ca 0.05 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.76 1puq n GLU 14 Cb 0.18 -1.05 0.03 0.00 0.27 0.00 0.00 31.44 30.86 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 -0.45 2.06 -2.12 4.31 2.85 -1.26 -4.95 115.26 115.70 1puq n ASN 15 Ca 0.00 -2.79 -0.05 0.00 -0.11 0.00 0.00 54.58 51.63 1puq n ASN 15 Cb 0.02 -0.51 -0.01 0.00 1.24 0.00 0.00 39.78 40.53 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 -0.22 -1.98 -4.45 1.20 3.02 -1.25 -4.88 115.26 106.70 1puq n ASN 16 Ca 0.14 0.31 -0.23 0.00 -0.03 0.00 0.00 54.58 54.77 1puq n ASN 16 Cb 0.80 -1.86 -0.10 0.00 -0.61 0.00 0.00 39.78 38.01 1puq n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1puq s GLU 17 N -4.33 1.61 0.02 3.52 2.02 -1.26 -4.60 118.70 115.68 1puq s GLU 17 Ca 0.00 -1.77 0.05 0.00 0.02 0.00 0.00 54.97 53.27 1puq s GLU 17 Cb 0.00 -1.50 -0.02 0.00 0.10 0.00 0.00 34.13 32.71 1puq s GLU 17 CO 0.00 0.21 -0.15 0.42 0.02 0.00 0.00 175.26 175.75 1puq s ILE 18 N -2.72 1.20 -0.28 -1.63 1.01 0.26 0.16 121.20 119.19 1puq s ILE 18 Ca 0.29 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 1puq s ILE 18 Cb -0.01 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1puq s ILE 18 CO 0.13 0.14 0.69 0.12 0.00 0.00 0.00 174.94 176.02 1puq s PHE 19 N -0.66 3.24 0.06 3.97 5.36 -0.70 -1.95 117.98 127.30 1puq s PHE 19 Ca 0.04 0.77 0.09 0.00 -0.96 0.00 0.00 56.93 56.87 1puq s PHE 19 Cb -0.07 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.57 1puq s PHE 19 CO 0.01 -0.44 -0.23 0.96 -1.46 0.00 0.00 175.22 174.06 1puq s ILE 20 N 2.69 2.45 -0.31 3.12 -4.36 -1.25 -4.32 121.20 119.23 1puq s ILE 20 Ca 0.28 -1.38 -0.29 0.00 -0.26 0.00 0.00 60.65 59.01 1puq s ILE 20 Cb -0.15 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.53 1puq s ILE 20 CO 0.10 0.30 1.61 0.42 0.24 0.00 0.00 174.94 177.61 1puq s THR 21 N -0.91 3.69 -0.14 8.37 -4.23 0.31 -4.01 115.64 118.73 1puq s THR 21 Ca 0.14 0.74 0.01 0.00 -1.18 0.00 0.00 61.69 61.40 1puq s THR 21 Cb -0.10 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 69.92 1puq s THR 21 CO 0.04 -0.46 -0.17 -0.60 -0.54 0.00 0.00 174.62 172.89 1puq s ARG 22 N 5.05 2.54 2.94 3.99 3.52 -1.26 -1.62 118.95 134.12 1puq s ARG 22 Ca 0.71 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 1puq s ARG 22 Cb -0.21 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 1puq s ARG 22 CO 0.31 -0.12 0.00 -2.13 -0.81 0.00 0.00 175.30 172.56 1puq n ARG 23 N 4.38 0.00 0.00 5.12 0.63 -1.15 -4.70 116.66 120.94 1puq n ARG 23 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1puq n ARG 23 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1puq n ALA 24 N 8.07 0.00 0.00 5.13 0.00 -1.26 -4.72 120.51 127.72 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 -2.58 0.00 0.00 -1.26 -4.62 120.51 112.05 1puq n ALA 25 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1puq n ALA 25 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.24 -1.36 -3.95 0.00 5.75 -1.26 -5.12 116.55 109.37 1puq n ASP 26 Ca 0.00 -2.14 -0.20 0.00 -0.01 0.00 0.00 54.79 52.43 1puq n ASP 26 Cb 0.00 0.62 -0.16 0.00 -1.03 0.00 0.00 41.12 40.55 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1puq s ALA 27 N 0.11 0.80 -0.86 2.12 0.00 -1.26 -5.06 121.76 117.60 1puq s ALA 27 Ca 0.08 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.58 1puq s ALA 27 Cb 0.38 -0.38 -0.17 0.00 0.00 0.00 0.00 23.12 22.95 1puq s ALA 27 CO -0.11 0.07 2.32 1.58 0.00 0.00 0.00 175.76 179.62 1puq n HIS 28 N 3.69 1.06 -2.10 0.00 -0.00 -1.26 -4.34 115.22 112.26 1puq n HIS 28 Ca -0.22 -0.05 -0.04 0.00 0.46 0.00 0.00 57.72 57.87 1puq n HIS 28 Cb 0.52 -2.54 -0.04 0.00 -0.12 0.00 0.00 29.99 27.81 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 8.51 0.00 0.08 1.57 2.00 -1.26 -4.91 117.12 123.10 1puq n MET 29 Ca 0.46 -1.09 0.11 0.00 0.00 0.00 0.00 57.70 57.18 1puq n MET 29 Cb 0.43 0.30 0.45 0.00 0.00 0.00 0.00 33.22 34.40 1puq n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1puq n ALA 30 N 0.10 1.93 1.65 3.04 0.00 -1.26 -2.67 120.51 123.30 1puq n ALA 30 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.37 1puq n ALA 30 Cb 0.77 -1.39 0.46 0.00 0.00 0.00 0.00 19.45 19.29 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 0.75 -0.90 0.00 5.15 -1.25 -3.50 115.26 113.52 1puq n ASN 31 Ca 0.04 -1.56 0.02 0.00 -0.60 0.00 0.00 54.58 52.48 1puq n ASN 31 Cb 0.29 -0.05 0.21 0.00 -0.53 0.00 0.00 39.78 39.70 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 -0.28 2.01 -1.51 1.20 4.01 -1.09 -3.96 118.16 118.54 1puq n LYS 32 Ca 0.15 -3.04 -0.13 0.00 -0.51 0.00 0.00 58.31 54.77 1puq n LYS 32 Cb 0.18 -1.76 -0.10 0.00 -0.51 0.00 0.00 35.03 32.84 1puq n LYS 32 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1puq n LEU 33 N -1.01 0.92 0.00 -0.35 7.94 -1.23 -4.81 117.00 118.47 1puq n LEU 33 Ca 0.27 -1.66 -0.03 0.00 -1.11 0.00 0.00 56.01 53.48 1puq n LEU 33 Cb 0.92 -1.45 -0.01 0.00 0.53 0.00 0.00 43.42 43.41 1puq n LEU 33 CO 0.13 -2.72 -0.02 1.21 -1.11 0.00 0.00 177.39 174.89 1puq n GLU 34 N 7.83 1.85 -4.56 1.96 2.13 -0.64 -4.17 120.64 125.04 1puq n GLU 34 Ca 0.44 -0.33 -0.27 0.00 0.66 0.00 0.00 57.16 57.66 1puq n GLU 34 Cb 0.41 0.08 -0.11 0.00 0.27 0.00 0.00 31.44 32.10 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 -1.08 2.49 0.90 4.31 0.40 -1.26 -0.53 117.98 123.21 1puq s PHE 35 Ca 0.00 -0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 55.61 1puq s PHE 35 Cb -0.00 -1.66 0.13 0.00 0.51 0.00 0.00 43.02 42.00 1puq s PHE 35 CO 0.00 0.48 1.10 -1.25 0.70 0.00 0.00 175.22 176.25 1puq s PRO 36 N -3.69 1.25 0.00 0.24 0.04 -1.26 -4.37 135.00 127.20 1puq s PRO 36 Ca 0.35 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1puq s PRO 36 Cb 0.07 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1puq s PRO 36 CO 0.18 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1puq n GLY 37 N -1.56 0.31 3.77 0.56 0.00 -1.25 -2.04 105.19 104.98 1puq n GLY 37 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 2.94 0.00 -0.02 0.00 -1.17 -3.20 107.32 104.34 1puq s GLY 38 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.19 1puq s GLY 38 CO 0.00 2.12 0.00 1.17 0.00 0.00 0.00 173.10 176.39 1puq n LYS 39 N 0.31 0.00 -0.01 2.90 4.81 -1.26 -4.94 118.16 119.96 1puq n LYS 39 Ca 0.02 0.00 0.23 0.00 -0.87 0.00 0.00 58.31 57.69 1puq n LYS 39 Cb 0.41 -0.50 0.72 0.00 0.02 0.00 0.00 35.03 35.68 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 0.44 0.00 3.15 3.07 -1.76 -3.03 117.51 119.38 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 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 37.14 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 -3.91 0.00 0.00 0.16 0.28 -1.24 -3.99 120.64 111.94 1puq n GLU 41 Ca 0.12 0.67 0.00 0.00 -0.16 0.00 0.00 57.16 57.79 1puq n GLU 41 Cb 0.77 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.47 1puq n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1puq n MET 42 N -1.69 0.00 -0.91 3.44 2.81 -1.15 -2.90 117.12 116.71 1puq n MET 42 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1puq n MET 42 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 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 -0.09 1.13 3.03 0.00 -1.26 -5.15 105.19 102.85 1puq n GLY 43 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.11 0.25 -3.96 1.61 4.71 -1.14 -5.08 120.64 116.92 1puq n GLU 44 Ca -0.10 -0.75 -0.28 0.00 -0.01 0.00 0.00 57.16 56.02 1puq n GLU 44 Cb 0.46 -0.23 -0.04 0.00 -1.01 0.00 0.00 31.44 30.61 1puq n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1puq s THR 45 N -0.95 5.22 0.61 2.62 2.01 -1.26 -4.76 115.64 119.12 1puq s THR 45 Ca 0.20 -0.63 0.26 0.00 0.31 0.00 0.00 61.69 61.82 1puq s THR 45 Cb -0.01 -3.63 0.36 0.00 0.01 0.00 0.00 72.50 69.23 1puq s THR 45 CO 0.13 -0.01 1.48 1.55 -0.69 0.00 0.00 174.62 177.08 1puq h PRO 46 N 2.54 0.00 0.00 4.92 0.13 -1.99 1.41 132.00 139.01 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 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1puq h PRO 46 CO 0.70 0.00 -2.24 0.39 -0.23 0.00 0.00 178.00 176.63 1puq n GLU 47 N -3.31 0.53 0.18 0.86 1.02 -1.26 -4.52 120.64 114.15 1puq n GLU 47 Ca 0.17 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1puq n GLU 47 Cb 1.21 -1.42 0.25 0.00 -0.02 0.00 0.00 31.44 31.46 1puq n GLU 47 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1puq h GLN 48 N -0.10 0.00 -0.23 3.49 1.08 -1.48 -3.16 115.11 114.71 1puq h GLN 48 Ca -0.49 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.73 1puq h GLN 48 Cb 1.72 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.12 1puq h GLN 48 CO -0.11 0.00 0.07 0.00 -0.95 0.00 0.00 178.83 177.84 1puq h ALA 49 N 2.19 0.25 0.04 3.87 0.00 0.16 0.12 119.26 125.89 1puq h ALA 49 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1puq h ALA 49 Cb 0.91 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1puq h ALA 49 CO 0.00 -0.35 -0.39 -0.39 0.00 0.00 0.00 179.25 178.12 1puq h VAL 50 N 0.17 1.59 -0.90 0.00 -1.51 -1.78 -2.43 116.25 111.39 1puq h VAL 50 Ca 0.10 -2.24 0.14 0.00 -1.23 0.00 0.00 66.70 63.47 1puq h VAL 50 Cb 0.07 3.05 -0.07 0.00 -2.13 0.00 0.00 31.29 32.21 1puq h VAL 50 CO -0.11 0.62 0.58 0.58 -1.23 0.00 0.00 177.57 178.01 1puq h VAL 51 N -0.55 0.84 0.02 7.19 2.07 -1.51 0.71 116.25 125.03 1puq h VAL 51 Ca -0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1puq h VAL 51 Cb 1.23 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 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 0.73 -0.03 0.00 1.57 -0.00 -0.85 -3.24 114.38 112.56 1puq h ARG 52 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.93 1puq h ARG 52 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.67 1puq h ARG 52 CO -0.21 0.70 0.00 1.49 0.00 0.00 0.00 179.97 181.95 1puq h GLU 53 N -0.93 0.00 -0.47 0.04 4.57 -1.05 -2.30 114.58 114.44 1puq h GLU 53 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1puq h GLU 53 Cb 0.74 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1puq h GLU 53 CO 0.00 0.00 0.27 1.25 -1.18 0.00 0.00 179.01 179.35 1puq h LEU 54 N 0.00 0.58 -1.08 1.64 5.85 0.41 0.61 115.31 123.33 1puq h LEU 54 Ca 0.00 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1puq h LEU 54 Cb 0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1puq h LEU 54 CO 0.00 0.50 -0.46 -0.61 -0.34 0.00 0.00 178.44 177.53 1puq h GLN 55 N 0.63 0.00 0.00 1.25 4.15 -1.52 0.55 115.11 120.16 1puq h GLN 55 Ca 0.17 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.41 1puq h GLN 55 Cb 0.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1puq h GLN 55 CO -0.03 0.46 -0.83 1.49 -1.93 0.00 0.00 178.83 177.99 1puq h GLU 56 N 0.00 0.00 -0.28 1.69 4.81 -1.32 0.48 114.58 119.97 1puq h GLU 56 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1puq h GLU 56 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1puq h GLU 56 CO 0.06 0.83 0.00 0.39 -0.73 0.00 0.00 179.01 179.56 1puq n GLU 57 N -3.49 2.17 0.00 1.92 4.71 0.21 0.15 120.64 126.31 1puq n GLU 57 Ca -0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 57.16 55.29 1puq n GLU 57 Cb 0.81 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.95 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 0.71 0.00 0.00 2.62 0.31 0.19 -4.14 118.33 118.02 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 -0.47 0.00 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 2.08 0.38 2.91 2.92 0.00 0.16 -0.37 105.19 113.27 1puq n GLY 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.74 -0.61 -5.35 -1.26 -4.88 119.36 103.52 1puq n ILE 60 Ca 0.00 -0.67 -0.35 0.00 -0.27 0.00 0.00 62.75 61.46 1puq n ILE 60 Cb 0.00 -1.52 -0.10 0.00 -1.74 0.00 0.00 39.64 36.28 1puq n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1puq s THR 61 N -3.08 3.62 0.07 7.28 -4.23 -1.26 -4.96 115.64 113.09 1puq s THR 61 Ca 0.57 -3.15 0.05 0.00 -1.18 0.00 0.00 61.69 57.98 1puq s THR 61 Cb -0.02 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1puq s THR 61 CO 0.41 -0.90 -0.04 -2.16 -0.54 0.00 0.00 174.62 171.39 1puq s PRO 62 N -0.28 2.44 -1.24 3.99 0.04 -1.26 -3.27 135.00 135.42 1puq s PRO 62 Ca 0.18 -0.86 -0.20 0.00 0.04 0.00 0.00 61.00 60.16 1puq s PRO 62 Cb -0.19 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1puq s PRO 62 CO -0.04 0.55 1.84 1.04 0.04 0.00 0.00 177.00 180.43 1puq n GLN 63 N 0.82 2.41 -4.77 4.56 6.02 0.30 -4.84 117.38 121.88 1puq n GLN 63 Ca -0.12 -2.87 -0.28 0.00 -0.01 0.00 0.00 57.00 53.71 1puq n GLN 63 Cb 0.52 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 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 7.55 1.97 0.00 1.08 2.46 -1.25 -0.17 115.29 126.92 1puq s HIS 64 Ca 0.61 -0.82 0.00 0.00 0.47 0.00 0.00 55.06 55.32 1puq s HIS 64 Cb 0.02 -1.38 0.00 0.00 -0.13 0.00 0.00 32.58 31.09 1puq s HIS 64 CO 0.11 -0.38 0.00 0.34 -2.47 0.00 0.00 174.74 172.34 1puq n PHE 65 N 3.81 -0.74 -0.92 3.88 -0.00 -1.15 -4.96 117.46 117.40 1puq n PHE 65 Ca -0.21 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 56.92 1puq n PHE 65 Cb 0.52 0.15 0.04 0.00 -0.00 0.00 0.00 39.48 40.18 1puq n PHE 65 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1puq n SER 66 N -2.12 -5.42 -4.12 -2.13 3.41 0.17 -4.53 113.62 98.87 1puq n SER 66 Ca 0.00 0.18 -0.33 0.00 -0.26 0.00 0.00 58.87 58.46 1puq n SER 66 Cb 0.00 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.10 1puq n SER 66 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1puq s LEU 67 N 7.17 2.64 -0.09 1.04 0.20 -1.26 0.22 118.68 128.59 1puq s LEU 67 Ca 0.37 -0.88 -0.18 0.00 0.69 0.00 0.00 54.13 54.13 1puq s LEU 67 Cb -0.17 -1.52 -0.14 0.00 -0.43 0.00 0.00 46.19 43.92 1puq s LEU 67 CO 0.75 -0.07 0.60 0.15 -0.29 0.00 0.00 176.35 177.49 1puq h PHE 68 N 7.90 -0.09 -1.41 5.38 3.04 -1.69 -3.41 116.94 126.66 1puq h PHE 68 Ca -0.37 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.69 1puq h PHE 68 Cb 1.11 0.03 -0.28 0.00 2.56 0.00 0.00 35.95 39.37 1puq h PHE 68 CO 0.53 0.39 0.62 -2.00 -2.02 0.00 0.00 178.31 175.83 1puq s GLU 69 N -2.54 0.37 -0.24 1.11 2.12 0.14 -4.97 118.70 114.68 1puq s GLU 69 Ca -0.11 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.52 1puq s GLU 69 Cb -0.01 0.18 0.08 0.00 0.26 0.00 0.00 34.13 34.64 1puq s GLU 69 CO 0.40 -0.06 0.11 -1.59 -0.54 0.00 0.00 175.26 173.59 1puq s LYS 70 N -0.11 0.15 0.27 4.30 0.00 -1.26 0.14 119.74 123.22 1puq s LYS 70 Ca 0.04 -0.36 0.09 0.00 0.00 0.00 0.00 55.97 55.74 1puq s LYS 70 Cb -0.04 -1.43 -0.04 0.00 0.00 0.00 0.00 37.83 36.32 1puq s LYS 70 CO -0.08 -0.88 0.06 -0.48 0.00 0.00 0.00 175.35 173.96 1puq s LEU 71 N 2.11 3.32 -0.19 2.77 0.05 -0.55 -4.94 118.68 121.25 1puq s LEU 71 Ca 0.06 -0.59 -0.03 0.00 0.05 0.00 0.00 54.13 53.62 1puq s LEU 71 Cb -0.16 -1.84 0.06 0.00 -2.05 0.00 0.00 46.19 42.20 1puq s LEU 71 CO -0.26 -0.05 0.04 -0.70 -0.55 0.00 0.00 176.35 174.83 1puq s GLU 72 N -3.73 0.59 -0.10 1.48 2.12 -1.26 -2.01 118.70 115.79 1puq s GLU 72 Ca 0.33 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1puq s GLU 72 Cb -0.06 -2.08 0.02 0.00 0.26 0.00 0.00 34.13 32.27 1puq s GLU 72 CO 0.21 -0.65 -0.09 1.52 -0.54 0.00 0.00 175.26 175.71 1puq s TYR 73 N 1.89 1.46 -0.12 5.30 1.13 -1.08 -5.02 117.35 120.91 1puq s TYR 73 Ca -0.01 -0.67 -0.02 0.00 -1.41 0.00 0.00 57.07 54.97 1puq s TYR 73 Cb -0.17 -1.17 -0.03 0.00 -1.10 0.00 0.00 41.96 39.49 1puq s TYR 73 CO -0.08 -0.43 -0.06 -1.83 -2.51 0.00 0.00 175.55 170.64 1puq s GLU 74 N 1.35 3.29 0.78 -3.49 -1.05 -1.26 -2.97 118.70 115.35 1puq s GLU 74 Ca -0.02 -0.54 -0.11 0.00 -0.15 0.00 0.00 54.97 54.15 1puq s GLU 74 Cb -0.14 -2.76 0.06 0.00 -0.44 0.00 0.00 34.13 30.85 1puq s GLU 74 CO -0.04 0.41 1.09 -0.06 0.95 0.00 0.00 175.26 177.60 1puq s PHE 75 N -0.10 2.86 0.49 4.83 0.40 0.37 -4.86 117.98 121.98 1puq s PHE 75 Ca 0.01 1.22 0.40 0.00 -0.60 0.00 0.00 56.93 57.97 1puq s PHE 75 Cb -0.13 -3.07 1.38 0.00 0.51 0.00 0.00 43.02 41.71 1puq s PHE 75 CO 0.03 -1.68 1.32 -0.35 0.70 0.00 0.00 175.22 175.23 1puq n PRO 76 N -3.39 0.00 0.00 0.24 -0.04 -1.26 -3.03 135.00 127.53 1puq n PRO 76 Ca 0.07 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 1puq n PRO 76 Cb 0.56 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 -3.55 0.08 -4.53 3.54 2.03 -1.26 -5.03 116.55 107.83 1puq n ASP 77 Ca 0.36 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.24 1puq n ASP 77 Cb 1.69 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 42.05 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 -1.02 3.32 -0.40 -0.67 3.52 -1.17 -3.08 118.95 119.44 1puq s ARG 78 Ca 0.00 -0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 55.13 1puq s ARG 78 Cb 0.00 -4.09 0.01 0.00 -1.56 0.00 0.00 34.95 29.32 1puq s ARG 78 CO 0.00 -1.64 0.72 -1.58 -0.81 0.00 0.00 175.30 171.99 1puq s HIS 79 N 4.34 3.08 -0.12 5.12 5.65 0.43 0.14 115.29 133.93 1puq s HIS 79 Ca 0.32 0.28 0.03 0.00 0.25 0.00 0.00 55.06 55.93 1puq s HIS 79 Cb -0.12 -3.41 -0.00 0.00 -1.18 0.00 0.00 32.58 27.87 1puq s HIS 79 CO 0.19 -0.81 -0.21 -1.50 -0.65 0.00 0.00 174.74 171.76 1puq s ILE 80 N 3.01 2.31 -0.23 0.89 2.07 -1.16 0.12 121.20 128.22 1puq s ILE 80 Ca 0.28 -0.92 -0.03 0.00 -1.41 0.00 0.00 60.65 58.57 1puq s ILE 80 Cb -0.13 -1.92 0.01 0.00 0.13 0.00 0.00 42.46 40.55 1puq s ILE 80 CO 0.19 0.55 -0.06 0.42 -1.91 0.00 0.00 174.94 174.12 1puq s THR 81 N 0.44 3.09 -0.26 4.00 -4.23 -0.02 -2.63 115.64 116.03 1puq s THR 81 Ca -0.15 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1puq s THR 81 Cb -0.17 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1puq s THR 81 CO 0.06 0.37 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.26 1puq s LEU 82 N 1.42 3.40 -0.21 4.79 2.96 -0.85 0.42 118.68 130.61 1puq s LEU 82 Ca 0.04 -0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 52.98 1puq s LEU 82 Cb -0.15 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1puq s LEU 82 CO -0.05 -0.16 -0.02 0.26 -1.32 0.00 0.00 176.35 175.06 1puq s TRP 83 N 1.33 2.99 -0.30 5.38 0.52 0.18 -1.47 118.94 127.57 1puq s TRP 83 Ca -0.01 -0.70 -0.04 0.00 0.02 0.00 0.00 56.10 55.38 1puq s TRP 83 Cb -0.17 -2.10 0.03 0.00 -1.15 0.00 0.00 33.47 30.08 1puq s TRP 83 CO -0.03 -0.40 0.03 -0.06 0.02 0.00 0.00 176.95 176.50 1puq s PHE 84 N 1.28 3.20 0.04 -1.98 0.40 0.36 0.73 117.98 122.01 1puq s PHE 84 Ca 0.04 -1.54 -0.00 0.00 -0.60 0.00 0.00 56.93 54.82 1puq s PHE 84 Cb -0.14 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1puq s PHE 84 CO -0.00 -0.73 0.19 -1.58 0.70 0.00 0.00 175.22 173.80 1puq s TRP 85 N 1.35 3.49 -0.03 0.36 0.52 0.36 0.25 118.94 125.25 1puq s TRP 85 Ca -0.02 0.26 -0.14 0.00 0.02 0.00 0.00 56.10 56.22 1puq s TRP 85 Cb -0.19 -1.76 -0.05 0.00 -1.15 0.00 0.00 33.47 30.32 1puq s TRP 85 CO -0.00 0.60 0.38 -1.17 0.02 0.00 0.00 176.95 176.78 1puq s LEU 86 N -2.35 4.44 0.07 2.99 2.96 0.58 -2.24 118.68 125.13 1puq s LEU 86 Ca 0.32 0.88 0.10 0.00 -0.22 0.00 0.00 54.13 55.21 1puq s LEU 86 Cb -0.13 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1puq s LEU 86 CO 0.25 0.30 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.62 1puq s VAL 87 N -0.86 2.16 -0.05 1.68 1.01 -1.11 -0.66 120.40 122.57 1puq s VAL 87 Ca 0.23 -1.48 0.09 0.00 0.00 0.00 0.00 61.98 60.82 1puq s VAL 87 Cb -0.16 -1.86 -0.13 0.00 0.00 0.00 0.00 36.38 34.22 1puq s VAL 87 CO 0.12 0.30 0.13 -0.62 0.00 0.00 0.00 175.10 175.03 1puq n GLU 88 N 1.57 1.30 -3.63 2.72 1.02 -0.42 -3.59 120.64 119.61 1puq n GLU 88 Ca -0.17 -0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.84 1puq n GLU 88 Cb 0.52 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 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 -2.47 1.25 -0.26 3.49 6.06 0.76 -4.60 118.95 123.17 1puq s ARG 89 Ca -0.04 -0.59 -0.11 0.00 -2.50 0.00 0.00 55.73 52.49 1puq s ARG 89 Cb 0.05 0.49 0.10 0.00 0.06 0.00 0.00 34.95 35.65 1puq s ARG 89 CO 0.39 -0.56 0.58 1.67 -2.50 0.00 0.00 175.30 174.88 1puq s TRP 90 N -3.50 -1.07 0.51 5.12 -2.14 -1.25 -0.54 118.94 116.07 1puq s TRP 90 Ca 0.07 1.99 -0.19 0.00 2.66 0.00 0.00 56.10 60.63 1puq s TRP 90 Cb -0.02 0.59 -0.08 0.00 -3.10 0.00 0.00 33.47 30.86 1puq s TRP 90 CO -0.03 -0.56 1.02 -2.00 -2.66 0.00 0.00 176.95 172.72 1puq s GLU 91 N 2.36 3.76 6.39 3.25 2.12 -1.20 -4.79 118.70 130.59 1puq s GLU 91 Ca -0.06 1.24 0.00 0.00 0.36 0.00 0.00 54.97 56.50 1puq s GLU 91 Cb -0.10 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1puq s GLU 91 CO -0.17 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 1puq n GLY 92 N -0.65 3.81 3.12 -1.50 0.00 -1.26 -4.62 105.19 104.09 1puq n GLY 92 Ca 0.08 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 0.76 0.01 1.61 2.02 -1.26 -5.13 118.70 116.71 1puq s GLU 93 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 1puq s GLU 93 Cb 0.00 -0.70 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 1puq s GLU 93 CO 0.00 0.16 1.12 -2.14 0.02 0.00 0.00 175.26 174.42 1puq s PRO 94 N -1.38 4.45 0.14 0.39 0.02 -1.26 -4.65 135.00 132.70 1puq s PRO 94 Ca -0.03 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1puq s PRO 94 Cb -0.09 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1puq s PRO 94 CO 0.01 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1puq n TRP 95 N 4.23 -1.09 0.00 6.54 4.27 -0.39 -4.87 117.44 126.12 1puq n TRP 95 Ca 0.08 0.19 0.00 0.00 -3.89 0.00 0.00 57.50 53.89 1puq n TRP 95 Cb 0.48 0.40 0.00 0.00 -1.36 0.00 0.00 31.31 30.83 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 2.06 0.58 0.00 -1.67 0.00 0.50 -3.72 105.19 102.94 1puq n GLY 96 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.01 1.61 4.81 0.39 -4.67 118.16 120.28 1puq n LYS 97 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1puq n LYS 97 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 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 0.07 0.00 1.64 4.11 -1.74 -3.45 114.58 115.21 1puq h GLU 98 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1puq h GLU 98 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1puq h GLU 98 CO 0.00 0.05 0.00 0.41 0.07 0.00 0.00 179.01 179.54 1puq n GLY 99 N -1.15 0.84 3.01 1.06 0.00 -1.26 -4.99 105.19 102.70 1puq n GLY 99 Ca -0.04 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 2.24 0.42 1.61 -2.07 -1.26 -5.10 119.66 115.49 1puq s GLN 100 Ca 0.00 -0.53 -0.22 0.00 -1.82 0.00 0.00 55.36 52.79 1puq s GLN 100 Cb 0.00 -2.06 -0.14 0.00 -1.09 0.00 0.00 33.01 29.72 1puq s GLN 100 CO 0.00 -0.23 0.34 -2.30 -1.32 0.00 0.00 175.29 171.77 1puq n PRO 101 N 4.76 0.30 -4.60 9.60 -0.02 -1.26 -4.33 135.00 139.45 1puq n PRO 101 Ca -0.17 0.11 -0.28 0.00 -2.02 0.00 0.00 63.50 61.14 1puq n PRO 101 Cb 0.50 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.62 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 2.72 0.14 -1.23 0.00 -1.26 -4.10 107.32 102.60 1puq s GLY 102 Ca 0.62 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 44.35 1puq s GLY 102 CO 0.60 -1.98 -0.12 1.85 0.00 0.00 0.00 173.10 173.45 1puq s GLU 103 N -3.78 1.06 -0.39 2.90 2.12 -1.26 -4.95 118.70 114.39 1puq s GLU 103 Ca 0.19 -1.35 -0.27 0.00 0.36 0.00 0.00 54.97 53.89 1puq s GLU 103 Cb 0.03 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.60 1puq s GLU 103 CO 0.11 0.13 2.01 -1.58 -0.54 0.00 0.00 175.26 175.38 1puq s TRP 104 N -2.73 1.51 0.31 5.30 0.51 -1.26 -3.79 118.94 118.79 1puq s TRP 104 Ca 0.13 0.81 0.10 0.00 -2.12 0.00 0.00 56.10 55.02 1puq s TRP 104 Cb -0.01 -3.98 -0.06 0.00 -0.81 0.00 0.00 33.47 28.61 1puq s TRP 104 CO 0.02 -2.98 -0.13 -1.64 -0.51 0.00 0.00 176.95 171.72 1puq s MET 105 N 6.57 1.73 -0.30 4.98 -1.94 -0.82 -4.93 119.30 124.59 1puq s MET 105 Ca 0.85 -1.86 -0.29 0.00 -1.71 0.00 0.00 55.69 52.68 1puq s MET 105 Cb -0.22 -1.65 0.01 0.00 2.01 0.00 0.00 34.83 34.98 1puq s MET 105 CO 0.30 0.19 1.21 -1.54 -0.01 0.00 0.00 175.02 175.17 1puq s SER 106 N -3.55 6.79 0.39 3.03 1.04 -1.26 0.91 113.70 121.05 1puq s SER 106 Ca 0.31 1.19 0.24 0.00 0.48 0.00 0.00 55.95 58.17 1puq s SER 106 Cb 0.00 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 64.02 1puq s SER 106 CO 0.15 -0.98 1.64 0.25 0.98 0.00 0.00 173.24 175.29 1puq h LEU 107 N 10.48 0.00 -0.77 2.42 7.12 -1.81 -3.24 115.31 129.52 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 1.08 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1puq h LEU 107 CO 1.03 0.00 0.02 0.52 -0.13 0.00 0.00 178.44 179.88 1puq n VAL 108 N -2.91 1.44 -2.91 1.05 0.31 -1.26 -2.62 118.33 111.43 1puq n VAL 108 Ca 0.04 0.63 -0.13 0.00 -0.01 0.00 0.00 64.34 64.87 1puq n VAL 108 Cb 0.51 -1.63 0.01 0.00 -0.91 0.00 0.00 33.84 31.81 1puq n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 109 N -1.38 2.47 3.74 2.92 0.00 -1.22 -5.02 105.19 106.69 1puq n GLY 109 Ca -0.01 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.78 3.57 -0.42 0.99 0.20 -1.08 -4.98 118.68 114.19 1puq s LEU 110 Ca 0.33 2.53 -0.14 0.00 0.69 0.00 0.00 54.13 57.54 1puq s LEU 110 Cb 0.40 -4.61 0.03 0.00 -0.43 0.00 0.00 46.19 41.59 1puq s LEU 110 CO -0.02 -1.93 0.30 0.20 -0.29 0.00 0.00 176.35 174.61 1puq s ASN 111 N -1.52 6.04 0.37 3.68 0.02 -1.26 -4.91 114.94 117.35 1puq s ASN 111 Ca 0.80 -1.02 0.27 0.00 -1.02 0.00 0.00 52.86 51.89 1puq s ASN 111 Cb -0.35 -2.13 1.03 0.00 0.02 0.00 0.00 41.25 39.82 1puq s ASN 111 CO 0.39 -0.48 1.80 0.00 0.02 0.00 0.00 177.10 178.83 1puq h ALA 112 N 8.61 1.00 0.06 0.60 0.00 -1.93 -2.68 119.26 124.92 1puq h ALA 112 Ca -0.27 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1puq h ALA 112 Cb 1.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1puq h ALA 112 CO 0.75 0.00 -0.44 0.22 0.00 0.00 0.00 179.25 179.78 1puq h ASP 113 N 0.00 0.28 -0.55 0.00 3.58 -1.92 -3.35 116.42 114.46 1puq h ASP 113 Ca 0.00 -0.93 -0.10 0.00 0.42 0.00 0.00 57.03 56.42 1puq h ASP 113 Cb 0.53 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1puq h ASP 113 CO 0.00 1.18 -0.06 0.44 -2.88 0.00 0.00 179.24 177.92 1puq h ASP 114 N -0.58 1.00 -4.23 2.28 5.19 -1.86 -3.45 116.42 114.77 1puq h ASP 114 Ca -0.07 -0.33 -0.45 0.00 -0.62 0.00 0.00 57.03 55.55 1puq h ASP 114 Cb 1.30 -0.27 0.14 0.00 0.18 0.00 0.00 39.33 40.68 1puq h ASP 114 CO 0.08 1.10 0.38 0.72 -3.12 0.00 0.00 179.24 178.40 1puq s PHE 115 N -4.92 2.13 0.09 4.55 -0.71 -1.02 -3.26 117.98 114.85 1puq s PHE 115 Ca -0.12 0.56 -0.34 0.00 -1.04 0.00 0.00 56.93 55.99 1puq s PHE 115 Cb 0.13 -3.75 -0.14 0.00 -1.21 0.00 0.00 43.02 38.05 1puq s PHE 115 CO 0.85 -2.38 1.62 -0.35 -1.34 0.00 0.00 175.22 173.62 1puq n PRO 116 N -3.68 2.03 -0.07 1.99 -0.04 -1.25 -4.88 135.00 129.11 1puq n PRO 116 Ca 0.11 0.74 -0.09 0.00 -0.04 0.00 0.00 63.50 64.22 1puq n PRO 116 Cb 0.60 -2.51 0.07 0.00 -0.04 0.00 0.00 33.50 31.62 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 6.50 0.74 0.00 0.54 0.13 -1.86 -2.73 132.00 135.32 1puq h PRO 117 Ca -0.46 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1puq h PRO 117 Cb 1.27 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1puq h PRO 117 CO 0.89 0.96 0.00 0.00 -0.23 0.00 0.00 178.00 179.62 1puq n ALA 118 N -2.51 1.72 -1.01 -0.56 0.00 -1.26 -2.08 120.51 114.80 1puq n ALA 118 Ca -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1puq n ALA 118 Cb 0.49 -1.25 0.32 0.00 0.00 0.00 0.00 19.45 19.01 1puq n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1puq n ASN 119 N -1.48 4.68 0.11 0.00 3.02 -1.03 -4.59 115.26 115.98 1puq n ASN 119 Ca 0.04 -3.10 -0.03 0.00 -0.03 0.00 0.00 54.58 51.46 1puq n ASN 119 Cb 0.17 -0.65 0.15 0.00 -0.61 0.00 0.00 39.78 38.84 1puq n ASN 119 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1puq h GLU 120 N 2.71 0.13 -1.16 3.52 5.08 -1.50 -3.31 114.58 120.06 1puq h GLU 120 Ca 0.09 -0.09 0.37 0.00 -1.00 0.00 0.00 59.36 58.73 1puq h GLU 120 Cb 1.89 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 31.02 1puq h GLU 120 CO 0.47 0.69 0.72 -1.35 -1.00 0.00 0.00 179.01 178.54 1puq h PRO 121 N 0.10 0.20 0.01 2.33 0.11 -1.85 1.67 132.00 134.57 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 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1puq h PRO 121 CO 0.09 0.13 -0.01 0.28 -0.21 0.00 0.00 178.00 178.28 1puq h VAL 122 N 0.20 1.54 -0.04 3.15 2.07 -1.95 -3.32 116.25 117.90 1puq h VAL 122 Ca 0.75 -1.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1puq h VAL 122 Cb 2.10 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 34.67 1puq h VAL 122 CO -0.46 0.49 -0.25 0.40 0.02 0.00 0.00 177.57 177.76 1puq h ILE 123 N -0.90 1.20 -0.49 4.57 1.08 -1.19 -2.36 117.51 119.43 1puq h ILE 123 Ca -0.00 -0.95 0.14 0.00 -0.39 0.00 0.00 64.86 63.66 1puq h ILE 123 Cb 0.81 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 1puq h ILE 123 CO 0.00 0.28 0.36 0.00 -0.69 0.00 0.00 178.15 178.10 1puq h ALA 124 N 1.68 2.42 0.01 1.87 0.00 0.23 1.66 119.26 127.13 1puq h ALA 124 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1puq h ALA 124 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1puq h ALA 124 CO 0.03 -0.61 -0.01 0.87 0.00 0.00 0.00 179.25 179.54 1puq h LYS 125 N 0.00 -0.01 0.00 0.00 1.57 -1.54 -3.06 116.57 113.52 1puq h LYS 125 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1puq h LYS 125 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1puq h LYS 125 CO -0.00 0.78 0.00 1.25 -0.57 0.00 0.00 179.45 180.91 1puq h LEU 126 N -0.93 0.00 -0.03 2.94 7.12 -1.40 -3.26 115.31 119.74 1puq h LEU 126 Ca -0.00 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.82 1puq h LEU 126 Cb 0.81 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1puq h LEU 126 CO 0.00 0.00 -0.72 0.50 -0.13 0.00 0.00 178.44 178.09 1puq h LYS 127 N 0.00 0.55 0.00 1.25 3.64 0.23 -2.92 116.57 119.32 1puq h LYS 127 Ca 0.00 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1puq h LYS 127 Cb 0.91 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1puq h LYS 127 CO 0.00 1.17 0.00 -2.13 -2.27 0.00 0.00 179.45 176.22 1puq n ARG 128 N -4.10 0.03 0.00 1.90 0.63 -1.16 -5.03 116.66 108.94 1puq n ARG 128 Ca -0.10 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1puq n ARG 128 Cb 0.72 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.13 1puq n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59