#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 3.44 -0.03 0.03 2.20 -1.14 -5.06 119.74 119.19 1puq s LYS 2 Ca 0.00 -0.39 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1puq s LYS 2 Cb 0.00 -2.97 0.03 0.00 -1.51 0.00 0.00 37.83 33.39 1puq s LYS 2 CO 0.00 0.49 0.04 -1.59 -0.36 0.00 0.00 175.35 173.93 1puq s LYS 3 N -0.28 -0.03 -0.09 4.03 -2.85 -1.26 -0.47 119.74 118.79 1puq s LYS 3 Ca 0.07 0.22 -0.08 0.00 -1.00 0.00 0.00 55.97 55.18 1puq s LYS 3 Cb -0.12 -0.26 0.02 0.00 -2.06 0.00 0.00 37.83 35.41 1puq s LYS 3 CO 0.02 -0.18 0.23 -0.48 0.10 0.00 0.00 175.35 175.04 1puq s LEU 4 N 1.17 1.06 0.18 2.77 0.05 0.30 -4.94 118.68 119.28 1puq s LEU 4 Ca -0.08 0.47 0.06 0.00 0.05 0.00 0.00 54.13 54.63 1puq s LEU 4 Cb -0.13 0.80 -0.04 0.00 -2.05 0.00 0.00 46.19 44.77 1puq s LEU 4 CO -0.03 -0.09 0.14 -1.10 -0.55 0.00 0.00 176.35 174.72 1puq s GLN 5 N 0.19 2.88 -0.11 1.48 -0.21 -1.26 -0.38 119.66 122.24 1puq s GLN 5 Ca -0.01 -0.92 -0.05 0.00 0.02 0.00 0.00 55.36 54.40 1puq s GLN 5 Cb -0.02 -2.61 0.05 0.00 1.00 0.00 0.00 33.01 31.43 1puq s GLN 5 CO -0.00 0.46 0.25 0.42 -2.12 0.00 0.00 175.29 174.31 1puq s ILE 6 N -1.83 -0.17 -0.11 1.08 1.01 0.45 -3.54 121.20 118.09 1puq s ILE 6 Ca 0.31 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1puq s ILE 6 Cb -0.10 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.98 1puq s ILE 6 CO 0.23 0.08 -0.15 0.00 0.00 0.00 0.00 174.94 175.10 1puq s ALA 7 N 1.67 1.71 0.05 9.38 0.00 -1.24 0.23 121.76 133.56 1puq s ALA 7 Ca -0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 1puq s ALA 7 Cb -0.11 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1puq s ALA 7 CO -0.09 -0.09 0.12 0.14 0.00 0.00 0.00 175.76 175.85 1puq s VAL 8 N 1.00 0.14 -0.12 0.00 -7.23 0.23 -2.74 120.40 111.68 1puq s VAL 8 Ca -0.06 -1.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 1puq s VAL 8 Cb -0.15 -1.06 0.06 0.00 0.56 0.00 0.00 36.38 35.79 1puq s VAL 8 CO -0.02 -0.63 0.26 -0.83 -0.31 0.00 0.00 175.10 173.57 1puq s GLY 9 N -2.36 -0.13 -0.29 2.32 0.00 -1.10 0.12 107.32 105.87 1puq s GLY 9 Ca -0.02 0.97 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 1puq s GLY 9 CO -0.06 1.66 1.61 -0.26 0.00 0.00 0.00 173.10 176.05 1puq s ILE 10 N 1.91 3.70 -0.11 0.90 -4.36 -1.15 -4.45 121.20 117.64 1puq s ILE 10 Ca -0.03 0.75 -0.29 0.00 -0.26 0.00 0.00 60.65 60.81 1puq s ILE 10 Cb -0.11 -3.81 -0.04 0.00 1.25 0.00 0.00 42.46 39.75 1puq s ILE 10 CO -0.09 -0.43 1.47 -0.63 0.24 0.00 0.00 174.94 175.51 1puq s ILE 11 N 5.70 3.91 -0.15 8.37 1.01 -1.26 -2.95 121.20 135.82 1puq s ILE 11 Ca 0.71 1.09 -0.25 0.00 0.00 0.00 0.00 60.65 62.20 1puq s ILE 11 Cb -0.21 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1puq s ILE 11 CO 0.31 -0.10 0.83 -0.13 0.00 0.00 0.00 174.94 175.85 1puq s ARG 12 N 3.80 4.32 0.22 2.79 1.81 -1.24 -1.98 118.95 128.66 1puq s ARG 12 Ca 0.65 1.03 -0.04 0.00 -1.72 0.00 0.00 55.73 55.65 1puq s ARG 12 Cb -0.28 -3.56 0.05 0.00 -0.45 0.00 0.00 34.95 30.71 1puq s ARG 12 CO 0.23 -0.29 0.30 -1.71 -0.68 0.00 0.00 175.30 173.15 1puq n ASN 13 N 5.07 0.04 -0.17 0.23 5.15 0.50 -3.06 115.26 123.03 1puq n ASN 13 Ca 0.04 -1.12 0.08 0.00 -0.60 0.00 0.00 54.58 52.98 1puq n ASN 13 Cb 0.49 -0.23 0.41 0.00 -0.53 0.00 0.00 39.78 39.92 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1puq n GLU 14 N -1.63 1.22 -2.72 1.20 2.13 -1.26 -3.98 120.64 115.60 1puq n GLU 14 Ca 0.04 -0.34 -0.11 0.00 0.66 0.00 0.00 57.16 57.41 1puq n GLU 14 Cb 0.13 -1.27 0.02 0.00 0.27 0.00 0.00 31.44 30.59 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 -0.40 1.46 -1.85 4.31 4.05 -1.26 -4.95 115.26 116.62 1puq n ASN 15 Ca 0.12 -2.77 -0.06 0.00 0.45 0.00 0.00 54.58 52.32 1puq n ASN 15 Cb 0.13 -0.54 -0.01 0.00 1.23 0.00 0.00 39.78 40.59 1puq n ASN 15 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1puq n ASN 16 N -0.03 -2.06 -4.34 1.20 6.94 -1.26 -4.89 115.26 110.82 1puq n ASN 16 Ca 0.12 0.25 -0.31 0.00 -0.02 0.00 0.00 54.58 54.62 1puq n ASN 16 Cb 0.80 -1.98 -0.15 0.00 -2.36 0.00 0.00 39.78 36.08 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1puq s GLU 17 N -3.82 2.03 -0.00 -3.83 -1.05 -1.26 -4.58 118.70 106.19 1puq s GLU 17 Ca 0.00 -0.98 0.04 0.00 -0.15 0.00 0.00 54.97 53.88 1puq s GLU 17 Cb 0.00 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.61 1puq s GLU 17 CO 0.00 0.55 -0.10 0.42 0.95 0.00 0.00 175.26 177.07 1puq s ILE 18 N -0.69 3.38 -0.23 1.83 1.01 0.35 0.19 121.20 127.03 1puq s ILE 18 Ca 0.11 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1puq s ILE 18 Cb -0.10 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1puq s ILE 18 CO 0.00 0.42 0.59 0.12 0.00 0.00 0.00 174.94 176.08 1puq s PHE 19 N -0.93 3.32 -0.06 3.97 2.19 -0.84 -1.23 117.98 124.41 1puq s PHE 19 Ca 0.15 0.81 0.06 0.00 0.33 0.00 0.00 56.93 58.27 1puq s PHE 19 Cb -0.11 -2.78 -0.01 0.00 -1.31 0.00 0.00 43.02 38.82 1puq s PHE 19 CO 0.06 -0.24 -0.23 0.42 1.83 0.00 0.00 175.22 177.05 1puq s ILE 20 N 2.16 1.93 -0.31 3.12 1.01 -1.22 -4.28 121.20 123.60 1puq s ILE 20 Ca 0.26 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 1puq s ILE 20 Cb -0.16 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1puq s ILE 20 CO 0.09 0.54 1.61 0.28 0.00 0.00 0.00 174.94 177.46 1puq s THR 21 N -0.07 3.70 -0.03 2.92 -1.32 -0.22 -4.13 115.64 116.50 1puq s THR 21 Ca -0.05 0.74 0.01 0.00 -1.21 0.00 0.00 61.69 61.18 1puq s THR 21 Cb -0.14 -3.84 0.02 0.00 -1.51 0.00 0.00 72.50 67.04 1puq s THR 21 CO 0.04 -0.46 -0.02 0.00 -2.21 0.00 0.00 174.62 171.97 1puq s ARG 22 N 5.05 0.46 4.21 7.08 1.70 -1.26 -0.84 118.95 135.34 1puq s ARG 22 Ca 0.71 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.96 1puq s ARG 22 Cb -0.21 -0.56 0.00 0.00 -0.57 0.00 0.00 34.95 33.62 1puq s ARG 22 CO 0.31 -0.08 0.00 -2.13 -1.08 0.00 0.00 175.30 172.32 1puq n ARG 23 N 3.93 0.00 -3.34 3.89 3.00 -0.66 -4.87 116.66 118.61 1puq n ARG 23 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 1puq n ARG 23 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1puq n ALA 24 N 9.73 0.00 -1.26 5.13 0.00 -1.26 -4.55 120.51 128.30 1puq n ALA 24 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1puq n ALA 24 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 4.16 0.00 0.00 0.00 -1.26 -4.72 120.51 118.69 1puq n ALA 25 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1puq n ALA 25 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.86 0.00 -2.40 0.00 5.75 -1.26 -5.15 116.55 112.63 1puq n ASP 26 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1puq n ASP 26 Cb 1.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.21 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1puq n ALA 27 N -0.75 0.00 -3.54 2.12 0.00 -1.26 -5.07 120.51 112.01 1puq n ALA 27 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1puq n ALA 27 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1puq n ALA 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1puq s HIS 28 N -0.91 0.44 -0.44 0.00 3.76 -1.26 -4.59 115.29 112.29 1puq s HIS 28 Ca 0.00 -1.01 0.07 0.00 -0.15 0.00 0.00 55.06 53.98 1puq s HIS 28 Cb 0.00 -0.95 0.33 0.00 1.11 0.00 0.00 32.58 33.07 1puq s HIS 28 CO 0.00 -0.83 1.03 -1.33 -0.85 0.00 0.00 174.74 172.76 1puq n MET 29 N 5.10 1.01 0.12 1.40 2.81 -1.26 -4.96 117.12 121.33 1puq n MET 29 Ca -0.04 -2.27 0.10 0.00 -1.81 0.00 0.00 57.70 53.68 1puq n MET 29 Cb 0.41 -1.19 0.46 0.00 -0.71 0.00 0.00 33.22 32.19 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 0.35 1.36 1.59 3.04 0.00 -1.26 -1.66 120.51 123.93 1puq n ALA 30 Ca 0.10 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.71 1puq n ALA 30 Cb 0.69 -1.30 0.29 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.09 0.77 -0.89 0.00 2.85 -1.22 -3.63 115.26 111.05 1puq n ASN 31 Ca 0.01 -1.76 0.02 0.00 -0.11 0.00 0.00 54.58 52.74 1puq n ASN 31 Cb 0.13 -0.07 0.21 0.00 1.24 0.00 0.00 39.78 41.28 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 -0.19 1.97 -0.67 1.20 4.01 -0.72 -3.42 118.16 120.36 1puq n LYS 32 Ca 0.10 -3.05 -0.25 0.00 -0.51 0.00 0.00 58.31 54.60 1puq n LYS 32 Cb 0.16 -1.76 -0.03 0.00 -0.51 0.00 0.00 35.03 32.89 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 -1.03 3.43 0.00 -0.35 7.94 -1.16 -4.22 117.00 121.61 1puq n LEU 33 Ca 0.27 -2.40 0.00 0.00 -1.11 0.00 0.00 56.01 52.76 1puq n LEU 33 Cb 0.91 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.93 1puq n LEU 33 CO 0.13 -0.20 0.00 1.21 -1.11 0.00 0.00 177.39 177.42 1puq n GLU 34 N 5.34 2.09 -4.55 1.96 2.13 -0.02 -3.94 120.64 123.64 1puq n GLU 34 Ca 0.37 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.92 1puq n GLU 34 Cb 0.19 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.80 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 0.51 2.49 0.89 4.31 0.40 -1.26 -1.05 117.98 124.27 1puq s PHE 35 Ca 0.00 -0.60 -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 1.11 -1.25 0.70 0.00 0.00 175.22 176.25 1puq s PRO 36 N -3.69 1.28 0.00 0.24 0.04 -1.26 -4.39 135.00 127.22 1puq s PRO 36 Ca 0.35 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1puq s PRO 36 Cb 0.07 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1puq s PRO 36 CO 0.18 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.47 1puq n GLY 37 N -1.68 0.31 3.75 0.56 0.00 -1.25 -2.71 105.19 104.17 1puq n GLY 37 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.51 2.80 0.00 -0.02 0.00 -1.11 -3.34 107.32 104.14 1puq s GLY 38 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1puq s GLY 38 CO 0.00 1.54 0.00 1.17 0.00 0.00 0.00 173.10 175.81 1puq n LYS 39 N -1.54 0.00 -0.25 2.90 4.81 -1.26 -4.92 118.16 117.90 1puq n LYS 39 Ca 0.14 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 57.89 1puq n LYS 39 Cb 0.48 -1.01 0.74 0.00 0.02 0.00 0.00 35.03 35.26 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 0.46 -0.80 3.15 3.07 -1.78 -0.89 117.51 120.72 1puq h ILE 40 Ca 0.00 0.00 0.14 0.00 1.55 0.00 0.00 64.86 66.55 1puq h ILE 40 Cb 0.00 0.47 -0.14 0.00 -0.27 0.00 0.00 36.82 36.88 1puq h ILE 40 CO 0.00 0.00 -0.31 1.05 -1.05 0.00 0.00 178.15 177.84 1puq h GLU 41 N 0.00 -0.06 0.00 0.16 -0.00 -1.90 -3.30 114.58 109.49 1puq h GLU 41 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.86 1puq h GLU 41 Cb 2.00 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.77 1puq h GLU 41 CO -0.01 -0.04 0.00 -0.12 -0.00 0.00 0.00 179.01 178.85 1puq n MET 42 N -5.48 0.00 0.00 1.06 1.56 -0.34 -3.92 117.12 110.00 1puq n MET 42 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 1puq n MET 42 Cb 0.39 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.76 1puq n MET 42 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1puq n GLY 43 N 0.00 0.00 0.60 -5.12 0.00 -1.24 -5.15 105.19 94.27 1puq n GLY 43 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.57 -3.73 1.61 4.71 -1.25 -5.08 120.64 117.47 1puq n GLU 44 Ca 0.00 -0.43 -0.29 0.00 -0.01 0.00 0.00 57.16 56.43 1puq n GLU 44 Cb 0.00 -0.09 -0.04 0.00 -1.01 0.00 0.00 31.44 30.30 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 -0.16 5.23 0.61 2.62 2.01 -1.26 -4.75 115.64 119.93 1puq s THR 45 Ca 0.10 -0.27 0.26 0.00 0.31 0.00 0.00 61.69 62.10 1puq s THR 45 Cb -0.01 -3.69 0.37 0.00 0.01 0.00 0.00 72.50 69.19 1puq s THR 45 CO 0.07 -0.06 1.47 1.55 -0.69 0.00 0.00 174.62 176.95 1puq h PRO 46 N 2.40 0.00 0.00 4.92 0.13 -1.99 1.32 132.00 138.78 1puq h PRO 46 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 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 0.71 0.00 -2.18 0.39 -0.23 0.00 0.00 178.00 176.68 1puq n GLU 47 N -3.32 0.52 0.09 0.86 4.71 -1.26 -4.50 120.64 117.73 1puq n GLU 47 Ca 0.18 0.12 0.13 0.00 -0.01 0.00 0.00 57.16 57.58 1puq n GLU 47 Cb 1.24 -1.41 0.42 0.00 -1.01 0.00 0.00 31.44 30.69 1puq n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1puq n GLN 48 N -3.14 0.23 0.13 3.49 1.13 -0.13 -3.13 117.38 115.96 1puq n GLN 48 Ca -0.37 0.18 -0.13 0.00 -1.94 0.00 0.00 57.00 54.74 1puq n GLN 48 Cb 0.89 -1.76 -0.07 0.00 0.11 0.00 0.00 30.24 29.40 1puq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1puq h ALA 49 N 2.58 -0.28 0.02 -1.58 0.00 0.14 0.29 119.26 120.42 1puq h ALA 49 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1puq h ALA 49 Cb 0.71 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1puq h ALA 49 CO 0.00 -0.67 -0.13 -0.39 0.00 0.00 0.00 179.25 178.06 1puq h VAL 50 N -0.30 1.70 -0.81 0.00 -1.51 -1.79 -2.31 116.25 111.22 1puq h VAL 50 Ca -0.01 -2.24 0.13 0.00 -1.23 0.00 0.00 66.70 63.35 1puq h VAL 50 Cb 0.27 3.21 -0.06 0.00 -2.13 0.00 0.00 31.29 32.58 1puq h VAL 50 CO -0.00 0.59 0.53 0.58 -1.23 0.00 0.00 177.57 178.04 1puq h VAL 51 N -0.82 0.86 0.02 7.19 2.07 -1.58 0.67 116.25 124.66 1puq h VAL 51 Ca -0.02 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1puq h VAL 51 Cb 1.04 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1puq h VAL 51 CO 0.03 0.11 -0.01 -0.09 0.02 0.00 0.00 177.57 177.63 1puq h ARG 52 N 0.61 -0.03 0.00 1.57 1.12 -0.52 -3.26 114.38 113.88 1puq h ARG 52 Ca 0.39 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.26 1puq h ARG 52 Cb 0.67 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.63 1puq h ARG 52 CO -0.16 0.70 -0.02 0.93 -3.11 0.00 0.00 179.97 178.32 1puq h GLU 53 N -0.93 0.00 -0.59 0.20 4.39 -1.02 -2.34 114.58 114.28 1puq h GLU 53 Ca -0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1puq h GLU 53 Cb 0.74 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1puq h GLU 53 CO 0.00 0.02 0.36 1.25 -1.16 0.00 0.00 179.01 179.48 1puq h LEU 54 N 0.00 0.57 -0.96 1.33 5.85 0.31 0.87 115.31 123.29 1puq h LEU 54 Ca -0.00 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1puq h LEU 54 Cb 0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1puq h LEU 54 CO 0.00 0.40 -0.30 1.56 -0.34 0.00 0.00 178.44 179.76 1puq h GLN 55 N 0.70 0.40 0.00 1.25 4.20 -1.54 0.66 115.11 120.78 1puq h GLN 55 Ca 0.24 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1puq h GLN 55 Cb 0.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1puq h GLN 55 CO -0.11 0.66 -0.59 1.49 -0.67 0.00 0.00 178.83 179.61 1puq h GLU 56 N 0.35 0.00 -0.29 1.46 4.81 -1.28 0.46 114.58 120.08 1puq h GLU 56 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1puq h GLU 56 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1puq h GLU 56 CO 0.05 0.59 0.00 0.39 -0.73 0.00 0.00 179.01 179.32 1puq n GLU 57 N -3.39 2.16 0.00 1.92 1.02 0.29 0.14 120.64 122.78 1puq n GLU 57 Ca 0.01 -1.89 0.00 0.00 -0.02 0.00 0.00 57.16 55.25 1puq n GLU 57 Cb 0.71 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1puq n VAL 58 N 0.81 0.00 0.00 2.62 0.31 0.23 -4.16 118.33 118.13 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 0.43 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.45 2.91 2.92 0.00 0.16 0.12 105.19 113.84 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 -4.87 119.36 103.53 1puq n ILE 60 Ca 0.00 -0.66 -0.36 0.00 -0.27 0.00 0.00 62.75 61.47 1puq n ILE 60 Cb 0.00 -1.51 -0.10 0.00 -1.74 0.00 0.00 39.64 36.29 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 -3.06 3.66 0.02 7.28 -4.23 -1.26 -4.94 115.64 113.11 1puq s THR 61 Ca 0.57 -3.15 0.03 0.00 -1.18 0.00 0.00 61.69 57.96 1puq s THR 61 Cb -0.02 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1puq s THR 61 CO 0.41 -0.90 -0.05 -2.16 -0.54 0.00 0.00 174.62 171.39 1puq s PRO 62 N -0.29 2.57 -1.24 3.99 0.04 -1.26 -3.14 135.00 135.66 1puq s PRO 62 Ca 0.18 -0.74 -0.20 0.00 0.04 0.00 0.00 61.00 60.28 1puq s PRO 62 Cb -0.19 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 1puq s PRO 62 CO -0.04 0.59 1.84 1.04 0.04 0.00 0.00 177.00 180.47 1puq n GLN 63 N 1.31 2.37 -5.12 4.56 6.02 -0.64 -4.85 117.38 121.03 1puq n GLN 63 Ca -0.14 -2.86 -0.31 0.00 -0.01 0.00 0.00 57.00 53.68 1puq n GLN 63 Cb 0.52 -3.62 -0.17 0.00 1.02 0.00 0.00 30.24 28.00 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 7.76 2.34 0.00 1.08 2.46 -1.24 -0.61 115.29 127.08 1puq s HIS 64 Ca 0.61 -0.90 0.00 0.00 0.47 0.00 0.00 55.06 55.24 1puq s HIS 64 Cb 0.02 -1.58 0.00 0.00 -0.13 0.00 0.00 32.58 30.89 1puq s HIS 64 CO 0.11 -0.36 0.00 0.34 -2.47 0.00 0.00 174.74 172.36 1puq n PHE 65 N 3.46 0.00 -1.19 3.88 -0.00 -1.25 -4.94 117.46 117.41 1puq n PHE 65 Ca -0.19 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.40 1puq n PHE 65 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.96 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 -6.44 -3.67 -2.13 2.88 -1.22 -2.21 113.62 100.84 1puq n SER 66 Ca 0.00 0.72 -0.27 0.00 -1.33 0.00 0.00 58.87 57.98 1puq n SER 66 Cb 0.00 -3.81 -0.16 0.00 -0.75 0.00 0.00 64.21 59.49 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 -6.03 0.90 -0.01 2.46 0.20 -1.26 -1.66 118.68 113.28 1puq s LEU 67 Ca 0.00 -0.87 -0.21 0.00 0.69 0.00 0.00 54.13 53.75 1puq s LEU 67 Cb 0.00 -0.47 -0.25 0.00 -0.43 0.00 0.00 46.19 45.04 1puq s LEU 67 CO 0.00 -0.35 1.05 0.15 -0.29 0.00 0.00 176.35 176.91 1puq h PHE 68 N 8.31 0.57 -1.41 5.38 3.04 -1.61 -3.42 116.94 127.79 1puq h PHE 68 Ca -0.16 -0.33 0.11 0.00 3.98 0.00 0.00 57.97 61.58 1puq h PHE 68 Cb 1.11 -0.06 -0.27 0.00 2.56 0.00 0.00 35.95 39.29 1puq h PHE 68 CO 0.24 1.17 0.62 -2.00 -2.02 0.00 0.00 178.31 176.32 1puq s GLU 69 N -3.03 0.37 -0.25 1.11 2.12 0.46 -4.99 118.70 114.48 1puq s GLU 69 Ca -0.13 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 1puq s GLU 69 Cb 0.03 0.18 0.10 0.00 0.26 0.00 0.00 34.13 34.70 1puq s GLU 69 CO 0.82 -0.07 0.19 -1.59 -0.54 0.00 0.00 175.26 174.07 1puq s LYS 70 N -0.18 0.21 0.12 4.30 0.00 -1.26 0.15 119.74 123.09 1puq s LYS 70 Ca 0.04 -0.18 0.06 0.00 0.00 0.00 0.00 55.97 55.89 1puq s LYS 70 Cb -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 37.83 36.62 1puq s LYS 70 CO -0.07 -0.88 -0.02 -0.48 0.00 0.00 0.00 175.35 173.89 1puq s LEU 71 N 2.23 3.33 -0.21 2.77 0.05 -0.14 -4.95 118.68 121.76 1puq s LEU 71 Ca 0.08 -0.30 -0.02 0.00 0.05 0.00 0.00 54.13 53.94 1puq s LEU 71 Cb -0.15 -2.04 0.06 0.00 -2.05 0.00 0.00 46.19 42.00 1puq s LEU 71 CO -0.26 0.14 0.00 -0.70 -0.55 0.00 0.00 176.35 174.99 1puq s GLU 72 N -2.53 0.99 0.12 1.48 2.12 -1.26 -1.55 118.70 118.06 1puq s GLU 72 Ca 0.26 -0.63 0.07 0.00 0.36 0.00 0.00 54.97 55.03 1puq s GLU 72 Cb -0.11 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1puq s GLU 72 CO 0.18 -0.63 -0.16 1.52 -0.54 0.00 0.00 175.26 175.62 1puq s TYR 73 N 1.69 1.55 -0.10 5.30 1.13 -1.15 -5.03 117.35 120.74 1puq s TYR 73 Ca -0.03 -0.49 0.03 0.00 -1.41 0.00 0.00 57.07 55.18 1puq s TYR 73 Cb -0.18 -0.82 0.00 0.00 -1.10 0.00 0.00 41.96 39.87 1puq s TYR 73 CO -0.07 0.18 -0.22 -1.83 -2.51 0.00 0.00 175.55 171.10 1puq s GLU 74 N -2.38 2.85 0.41 -3.49 -1.05 -1.26 -2.38 118.70 111.41 1puq s GLU 74 Ca 0.08 -0.81 0.01 0.00 -0.15 0.00 0.00 54.97 54.10 1puq s GLU 74 Cb -0.07 -2.21 -0.01 0.00 -0.44 0.00 0.00 34.13 31.40 1puq s GLU 74 CO 0.04 0.11 0.62 -0.06 0.95 0.00 0.00 175.26 176.92 1puq s PHE 75 N 0.50 3.28 -0.74 4.83 0.08 0.35 -4.91 117.98 121.37 1puq s PHE 75 Ca -0.16 0.22 -0.18 0.00 0.12 0.00 0.00 56.93 56.93 1puq s PHE 75 Cb -0.17 -2.17 -0.17 0.00 -0.57 0.00 0.00 43.02 39.93 1puq s PHE 75 CO 0.06 -0.20 1.89 -0.35 -0.10 0.00 0.00 175.22 176.52 1puq n PRO 76 N -1.96 0.14 -0.43 0.24 -0.04 -1.26 0.31 135.00 132.00 1puq n PRO 76 Ca -0.00 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1puq n PRO 76 Cb 0.57 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1puq n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1puq n ASP 77 N 14.33 -1.26 -3.55 3.54 8.00 -1.26 -5.03 116.55 131.31 1puq n ASP 77 Ca 0.34 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.55 1puq n ASP 77 Cb 0.44 -0.21 -0.13 0.00 -0.02 0.00 0.00 41.12 41.19 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1puq s ARG 78 N -0.57 0.58 -0.68 -1.24 3.52 0.15 -2.89 118.95 117.83 1puq s ARG 78 Ca 0.00 -1.19 -0.21 0.00 -0.13 0.00 0.00 55.73 54.20 1puq s ARG 78 Cb 0.00 -1.50 0.09 0.00 -1.56 0.00 0.00 34.95 31.97 1puq s ARG 78 CO 0.00 -1.12 0.92 -1.58 -0.81 0.00 0.00 175.30 172.71 1puq s HIS 79 N 1.30 2.80 -0.13 5.12 5.65 0.38 0.13 115.29 130.54 1puq s HIS 79 Ca 0.15 -0.75 -0.04 0.00 0.25 0.00 0.00 55.06 54.66 1puq s HIS 79 Cb -0.21 -4.23 -0.03 0.00 -1.18 0.00 0.00 32.58 26.93 1puq s HIS 79 CO -0.12 -1.55 0.02 -1.50 -0.65 0.00 0.00 174.74 170.94 1puq s ILE 80 N 3.58 4.43 -0.24 0.89 2.07 -1.00 0.11 121.20 131.03 1puq s ILE 80 Ca 0.21 -0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.22 1puq s ILE 80 Cb -0.17 -2.93 -0.00 0.00 0.13 0.00 0.00 42.46 39.49 1puq s ILE 80 CO 0.07 0.53 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.73 1puq s THR 81 N -0.21 3.49 -0.28 4.00 2.01 0.48 -2.91 115.64 122.22 1puq s THR 81 Ca 0.06 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 1puq s THR 81 Cb -0.12 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1puq s THR 81 CO 0.02 0.33 0.02 -0.22 -0.69 0.00 0.00 174.62 174.08 1puq s LEU 82 N 1.48 3.66 -0.21 4.42 2.96 -0.60 0.17 118.68 130.56 1puq s LEU 82 Ca 0.05 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 53.04 1puq s LEU 82 Cb -0.15 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1puq s LEU 82 CO -0.02 -0.19 -0.04 0.26 -1.32 0.00 0.00 176.35 175.04 1puq s TRP 83 N 1.40 2.96 -0.30 5.38 0.52 0.13 -0.97 118.94 128.07 1puq s TRP 83 Ca 0.00 -0.80 -0.04 0.00 0.02 0.00 0.00 56.10 55.29 1puq s TRP 83 Cb -0.17 -2.08 0.04 0.00 -1.15 0.00 0.00 33.47 30.11 1puq s TRP 83 CO -0.00 -0.45 0.03 -0.06 0.02 0.00 0.00 176.95 176.49 1puq s PHE 84 N 1.27 3.22 0.12 -1.98 0.40 0.40 0.74 117.98 122.14 1puq s PHE 84 Ca 0.03 -1.61 -0.05 0.00 -0.60 0.00 0.00 56.93 54.70 1puq s PHE 84 Cb -0.14 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.17 1puq s PHE 84 CO -0.01 -0.75 0.35 -1.58 0.70 0.00 0.00 175.22 173.93 1puq s TRP 85 N 1.33 3.50 -0.52 0.36 0.52 0.32 -0.41 118.94 124.04 1puq s TRP 85 Ca -0.03 0.54 -0.17 0.00 0.02 0.00 0.00 56.10 56.46 1puq s TRP 85 Cb -0.19 -1.99 0.09 0.00 -1.15 0.00 0.00 33.47 30.23 1puq s TRP 85 CO -0.00 0.48 0.53 -1.17 0.02 0.00 0.00 176.95 176.80 1puq s LEU 86 N -2.50 5.54 0.33 2.99 2.96 -0.66 -2.93 118.68 124.40 1puq s LEU 86 Ca 0.38 -1.34 -0.24 0.00 -0.22 0.00 0.00 54.13 52.72 1puq s LEU 86 Cb -0.12 -2.28 -0.10 0.00 0.50 0.00 0.00 46.19 44.19 1puq s LEU 86 CO 0.24 -0.83 0.90 -0.69 -1.32 0.00 0.00 176.35 174.65 1puq s VAL 87 N 2.06 4.32 -0.04 1.68 1.01 -1.15 -3.36 120.40 124.92 1puq s VAL 87 Ca 0.08 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.75 1puq s VAL 87 Cb -0.24 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1puq s VAL 87 CO 0.07 0.04 0.06 -0.62 0.00 0.00 0.00 175.10 174.66 1puq n GLU 88 N 0.30 1.98 -3.64 2.72 1.02 -1.13 -3.70 120.64 118.20 1puq n GLU 88 Ca 0.02 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1puq n GLU 88 Cb 0.51 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.77 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 -2.24 1.39 -0.24 3.49 3.52 0.22 -4.53 118.95 120.55 1puq s ARG 89 Ca -0.02 -0.66 -0.11 0.00 -0.13 0.00 0.00 55.73 54.80 1puq s ARG 89 Cb 0.02 0.54 0.09 0.00 -1.56 0.00 0.00 34.95 34.04 1puq s ARG 89 CO 0.23 -0.62 0.56 1.67 -0.81 0.00 0.00 175.30 176.32 1puq s TRP 90 N -3.65 -0.95 0.43 5.12 -2.14 -1.23 -1.62 118.94 114.90 1puq s TRP 90 Ca 0.07 1.84 -0.22 0.00 2.66 0.00 0.00 56.10 60.44 1puq s TRP 90 Cb -0.03 0.51 -0.09 0.00 -3.10 0.00 0.00 33.47 30.76 1puq s TRP 90 CO -0.03 -0.50 1.01 -1.21 -2.66 0.00 0.00 176.95 173.56 1puq s GLU 91 N 2.01 4.11 6.83 3.25 2.02 -1.19 -4.78 118.70 130.94 1puq s GLU 91 Ca -0.08 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1puq s GLU 91 Cb -0.09 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1puq s GLU 91 CO -0.17 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1puq n GLY 92 N -0.04 4.01 3.03 -1.39 0.00 -1.26 -4.56 105.19 104.98 1puq n GLY 92 Ca 0.06 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 0.56 0.01 1.61 2.12 -1.26 -5.13 118.70 116.61 1puq s GLU 93 Ca 0.00 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 1puq s GLU 93 Cb 0.00 -0.46 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1puq s GLU 93 CO 0.00 0.11 1.13 -2.14 -0.54 0.00 0.00 175.26 173.82 1puq s PRO 94 N -0.88 4.45 0.18 4.30 0.02 -1.26 -4.60 135.00 137.21 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 -0.06 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1puq s PRO 94 CO 0.00 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.76 1puq n TRP 95 N 4.22 -1.44 0.00 6.54 4.27 0.29 -4.83 117.44 126.49 1puq n TRP 95 Ca 0.08 0.25 0.00 0.00 -3.89 0.00 0.00 57.50 53.95 1puq n TRP 95 Cb 0.48 0.43 0.00 0.00 -1.36 0.00 0.00 31.31 30.86 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 1.99 0.61 0.00 -1.67 0.00 0.12 -3.90 105.19 102.34 1puq n GLY 96 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -0.05 1.61 0.00 0.37 -4.70 118.16 115.39 1puq n LYS 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1puq n LYS 97 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1puq h GLU 98 N 0.00 0.19 0.00 1.64 4.11 -1.73 -3.46 114.58 115.34 1puq h GLU 98 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1puq h GLU 98 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1puq h GLU 98 CO 0.00 0.13 0.00 0.41 0.07 0.00 0.00 179.01 179.62 1puq n GLY 99 N -1.17 -0.63 2.76 1.06 0.00 -1.26 -5.00 105.19 100.95 1puq n GLY 99 Ca -0.02 0.36 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 1puq n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1puq s GLN 100 N 0.00 0.10 0.41 1.61 -2.07 -1.26 -5.13 119.66 113.31 1puq s GLN 100 Ca 0.00 0.20 -0.22 0.00 -1.82 0.00 0.00 55.36 53.53 1puq s GLN 100 Cb 0.00 -0.45 -0.14 0.00 -1.09 0.00 0.00 33.01 31.33 1puq s GLN 100 CO 0.00 -0.22 0.33 -2.30 -1.32 0.00 0.00 175.29 171.79 1puq n PRO 101 N 4.56 0.29 -4.57 9.60 -0.02 -1.26 -4.38 135.00 139.22 1puq n PRO 101 Ca -0.19 0.10 -0.27 0.00 -2.02 0.00 0.00 63.50 61.13 1puq n PRO 101 Cb 0.50 -1.26 -0.08 0.00 -0.02 0.00 0.00 33.50 32.63 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 2.66 0.23 -1.23 0.00 -1.26 -4.39 107.32 102.34 1puq s GLY 102 Ca 0.62 -1.14 0.11 0.00 0.00 0.00 0.00 44.72 44.31 1puq s GLY 102 CO 0.60 -1.93 -0.21 -0.54 0.00 0.00 0.00 173.10 171.03 1puq s GLU 103 N -3.77 1.54 -0.54 2.90 0.41 -1.26 -4.93 118.70 113.05 1puq s GLU 103 Ca 0.21 -1.62 -0.28 0.00 -0.41 0.00 0.00 54.97 52.87 1puq s GLU 103 Cb 0.03 -1.69 0.01 0.00 -1.78 0.00 0.00 34.13 30.71 1puq s GLU 103 CO 0.12 0.34 1.40 -1.58 -0.49 0.00 0.00 175.26 175.04 1puq s TRP 104 N -2.19 2.32 0.31 1.61 0.51 -1.26 -3.43 118.94 116.81 1puq s TRP 104 Ca 0.24 0.49 0.10 0.00 -2.12 0.00 0.00 56.10 54.82 1puq s TRP 104 Cb -0.06 -4.39 -0.06 0.00 -0.81 0.00 0.00 33.47 28.15 1puq s TRP 104 CO 0.11 -1.94 -0.12 0.00 -0.51 0.00 0.00 176.95 174.49 1puq s MET 105 N 5.40 1.73 -0.30 4.98 0.23 -0.36 -4.86 119.30 126.11 1puq s MET 105 Ca 0.53 -1.86 -0.29 0.00 -1.03 0.00 0.00 55.69 53.04 1puq s MET 105 Cb -0.11 -1.64 0.00 0.00 -1.53 0.00 0.00 34.83 31.56 1puq s MET 105 CO 0.26 0.19 1.32 -1.12 -2.03 0.00 0.00 175.02 173.63 1puq s SER 106 N -3.55 6.65 0.51 -1.18 0.01 -1.26 0.13 113.70 115.01 1puq s SER 106 Ca 0.31 1.21 0.33 0.00 1.31 0.00 0.00 55.95 59.12 1puq s SER 106 Cb 0.00 -2.54 1.45 0.00 0.21 0.00 0.00 66.02 65.14 1puq s SER 106 CO 0.15 -1.10 1.98 0.25 0.41 0.00 0.00 173.24 174.93 1puq h LEU 107 N 10.95 0.00 -1.32 2.44 7.12 -1.81 -2.96 115.31 129.73 1puq h LEU 107 Ca -0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.75 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 1.03 0.00 0.20 1.62 -0.13 0.00 0.00 178.44 181.17 1puq h VAL 108 N 0.00 0.00 -1.14 1.05 3.04 -1.89 -2.02 116.25 115.28 1puq h VAL 108 Ca 0.00 0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 65.24 1puq h VAL 108 Cb 0.39 0.44 -0.41 0.00 -2.01 0.00 0.00 31.29 29.70 1puq h VAL 108 CO 0.00 0.00 -1.00 0.61 -1.01 0.00 0.00 177.57 176.17 1puq n GLY 109 N -1.26 3.45 3.74 3.17 0.00 -1.12 -5.07 105.19 108.10 1puq n GLY 109 Ca -0.01 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 1puq n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1puq s LEU 110 N -3.35 3.58 -0.28 0.99 0.20 -0.76 -5.00 118.68 114.06 1puq s LEU 110 Ca 0.36 2.51 -0.05 0.00 0.69 0.00 0.00 54.13 57.65 1puq s LEU 110 Cb 0.42 -4.61 0.02 0.00 -0.43 0.00 0.00 46.19 41.59 1puq s LEU 110 CO -0.05 -1.88 0.02 0.20 -0.29 0.00 0.00 176.35 174.35 1puq s ASN 111 N -1.53 4.81 0.46 3.68 -0.87 -1.26 -4.95 114.94 115.28 1puq s ASN 111 Ca 0.80 -0.78 0.30 0.00 -1.57 0.00 0.00 52.86 51.60 1puq s ASN 111 Cb -0.34 -1.79 1.10 0.00 -0.02 0.00 0.00 41.25 40.19 1puq s ASN 111 CO 0.38 -0.17 1.86 0.00 -2.57 0.00 0.00 177.10 176.60 1puq h ALA 112 N 8.14 1.00 0.08 0.60 0.00 -1.94 -2.54 119.26 124.61 1puq h ALA 112 Ca -0.32 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1puq h ALA 112 Cb 1.12 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1puq h ALA 112 CO 0.59 0.00 -0.61 0.22 0.00 0.00 0.00 179.25 179.45 1puq h ASP 113 N 0.00 0.39 -0.49 0.00 3.58 -1.92 -3.35 116.42 114.63 1puq h ASP 113 Ca 0.00 -0.91 -0.09 0.00 0.42 0.00 0.00 57.03 56.44 1puq h ASP 113 Cb 0.58 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1puq h ASP 113 CO 0.00 1.27 -0.05 0.44 -2.88 0.00 0.00 179.24 178.02 1puq h ASP 114 N -0.43 0.89 -4.30 2.28 5.19 -1.80 -3.45 116.42 114.81 1puq h ASP 114 Ca -0.10 -0.33 -0.46 0.00 -0.62 0.00 0.00 57.03 55.52 1puq h ASP 114 Cb 1.44 -0.24 0.13 0.00 0.18 0.00 0.00 39.33 40.84 1puq h ASP 114 CO 0.12 1.01 0.39 0.72 -3.12 0.00 0.00 179.24 178.36 1puq s PHE 115 N -4.91 2.26 0.09 4.55 -0.71 -0.96 -2.97 117.98 115.33 1puq s PHE 115 Ca -0.12 0.58 -0.34 0.00 -1.04 0.00 0.00 56.93 56.01 1puq s PHE 115 Cb 0.12 -3.73 -0.14 0.00 -1.21 0.00 0.00 43.02 38.06 1puq s PHE 115 CO 0.83 -2.28 1.63 -0.35 -1.34 0.00 0.00 175.22 173.71 1puq n PRO 116 N -3.61 2.05 -0.06 1.99 -0.04 -1.22 -4.81 135.00 129.30 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 -2.52 0.07 0.00 -0.04 0.00 0.00 33.50 31.61 1puq n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1puq h PRO 117 N 6.54 0.73 0.00 0.54 0.13 -1.86 -2.78 132.00 135.30 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 0.97 0.00 0.00 -0.23 0.00 0.00 178.00 179.63 1puq n ALA 118 N -2.51 1.71 -1.25 -0.56 0.00 -1.26 -2.24 120.51 114.40 1puq n ALA 118 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1puq n ALA 118 Cb 0.50 -1.25 0.22 0.00 0.00 0.00 0.00 19.45 18.92 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 3.51 0.09 0.00 3.02 -1.05 -4.61 115.26 114.74 1puq n ASN 119 Ca 0.04 -3.52 -0.06 0.00 -0.03 0.00 0.00 54.58 51.01 1puq n ASN 119 Cb 0.18 -0.71 0.02 0.00 -0.61 0.00 0.00 39.78 38.66 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 1.45 0.07 -1.32 3.52 4.39 -1.55 -3.34 114.58 117.80 1puq h GLU 120 Ca 0.33 -0.08 0.41 0.00 0.34 0.00 0.00 59.36 60.36 1puq h GLU 120 Cb 2.13 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 30.69 1puq h GLU 120 CO 0.65 0.86 0.87 -1.35 -1.16 0.00 0.00 179.01 178.88 1puq h PRO 121 N 0.04 0.12 0.01 2.33 0.11 -1.85 1.28 132.00 134.04 1puq h PRO 121 Ca -0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1puq h PRO 121 Cb 1.45 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1puq h PRO 121 CO 0.11 0.08 -0.01 0.28 -0.21 0.00 0.00 178.00 178.26 1puq h VAL 122 N 0.13 1.52 -0.15 3.15 2.07 -1.96 -3.32 116.25 117.68 1puq h VAL 122 Ca 0.77 -1.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1puq h VAL 122 Cb 2.46 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 35.00 1puq h VAL 122 CO -0.33 0.48 -0.14 0.40 0.02 0.00 0.00 177.57 178.00 1puq h ILE 123 N -0.90 1.19 -0.39 4.57 1.08 -1.07 -2.16 117.51 119.83 1puq h ILE 123 Ca -0.00 -0.83 0.11 0.00 -0.39 0.00 0.00 64.86 63.75 1puq h ILE 123 Cb 0.80 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 1puq h ILE 123 CO 0.00 0.26 0.35 0.00 -0.69 0.00 0.00 178.15 178.07 1puq h ALA 124 N 1.62 2.18 0.00 1.87 0.00 0.14 1.71 119.26 126.78 1puq h ALA 124 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1puq h ALA 124 Cb 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1puq h ALA 124 CO 0.02 -0.55 -0.03 0.87 0.00 0.00 0.00 179.25 179.56 1puq h LYS 125 N 0.00 0.00 0.00 0.00 6.56 -1.50 -3.33 116.57 118.30 1puq h LYS 125 Ca 0.19 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.62 1puq h LYS 125 Cb 0.89 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.52 1puq h LYS 125 CO -0.00 0.87 -0.74 1.25 -2.06 0.00 0.00 179.45 178.77 1puq h LEU 126 N -1.00 0.00 -0.82 2.94 5.85 -1.38 -3.27 115.31 117.63 1puq h LEU 126 Ca -0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1puq h LEU 126 Cb 0.88 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 1puq h LEU 126 CO -0.00 0.74 0.47 0.50 -0.34 0.00 0.00 178.44 179.81 1puq h LYS 127 N 0.00 0.77 0.00 1.25 3.64 0.24 0.83 116.57 123.30 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 1.47 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1puq h LYS 127 CO 0.10 0.51 0.00 -2.13 -2.27 0.00 0.00 179.45 175.65 1puq n ARG 128 N -4.74 0.00 -0.20 1.90 0.63 -1.23 -5.08 116.66 107.94 1puq n ARG 128 Ca 0.13 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1puq n ARG 128 Cb 0.27 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1puq n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40