#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufl s LYS 2 N 0.00 0.95 -0.21 0.03 -0.14 -0.49 -3.88 119.74 115.99 1ufl s LYS 2 Ca 0.00 -0.46 0.02 0.00 -1.36 0.00 0.00 55.97 54.17 1ufl s LYS 2 Cb 0.00 0.42 0.04 0.00 -1.68 0.00 0.00 37.83 36.61 1ufl s LYS 2 CO 0.00 -0.34 -0.15 -1.17 -0.76 0.00 0.00 175.35 172.93 1ufl s LEU 3 N -2.21 2.64 -0.35 3.17 2.96 0.17 -0.16 118.68 124.91 1ufl s LEU 3 Ca -0.03 -0.96 -0.16 0.00 -0.22 0.00 0.00 54.13 52.76 1ufl s LEU 3 Cb -0.00 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 1ufl s LEU 3 CO -0.05 -0.09 0.39 -0.63 -1.32 0.00 0.00 176.35 174.65 1ufl s ILE 4 N 1.23 5.14 -0.45 6.68 1.01 0.23 -1.19 121.20 133.86 1ufl s ILE 4 Ca -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.54 1ufl s ILE 4 Cb -0.16 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1ufl s ILE 4 CO -0.09 -0.14 0.35 -0.69 0.00 0.00 0.00 174.94 174.36 1ufl s VAL 5 N 2.08 5.08 -0.21 2.92 1.01 -0.30 -1.35 120.40 129.64 1ufl s VAL 5 Ca 0.13 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1ufl s VAL 5 Cb -0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1ufl s VAL 5 CO 0.12 -0.48 0.12 0.00 0.00 0.00 0.00 175.10 174.85 1ufl s ALA 6 N 1.62 3.58 -0.53 5.51 0.00 -1.00 -1.58 121.76 129.36 1ufl s ALA 6 Ca 0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1ufl s ALA 6 Cb -0.23 -2.14 0.14 0.00 0.00 0.00 0.00 23.12 20.90 1ufl s ALA 6 CO 0.07 0.07 0.34 0.42 0.00 0.00 0.00 175.76 176.66 1ufl s ILE 7 N 0.55 3.53 0.34 0.00 -1.09 -0.23 0.04 121.20 124.33 1ufl s ILE 7 Ca 0.07 -2.56 0.08 0.00 -2.23 0.00 0.00 60.65 56.01 1ufl s ILE 7 Cb -0.12 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1ufl s ILE 7 CO 0.00 -0.80 0.11 0.68 -1.23 0.00 0.00 174.94 173.71 1ufl s VAL 8 N 0.47 2.95 0.15 2.92 -7.23 -0.48 -2.84 120.40 116.33 1ufl s VAL 8 Ca 0.13 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 1ufl s VAL 8 Cb -0.22 -2.94 -0.09 0.00 0.56 0.00 0.00 36.38 33.70 1ufl s VAL 8 CO -0.04 -0.19 1.46 -0.13 -0.31 0.00 0.00 175.10 175.89 1ufl s ARG 9 N -3.81 4.28 0.41 4.82 0.52 -1.26 -0.64 118.95 123.27 1ufl s ARG 9 Ca 0.37 2.20 0.17 0.00 -0.52 0.00 0.00 55.73 57.95 1ufl s ARG 9 Cb -0.02 -3.20 1.07 0.00 0.52 0.00 0.00 34.95 33.32 1ufl s ARG 9 CO 0.22 -0.50 1.84 -1.35 0.02 0.00 0.00 175.30 175.53 1ufl h PRO 10 N 6.64 0.41 -0.06 3.54 0.11 -1.91 0.15 132.00 140.87 1ufl h PRO 10 Ca -0.43 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1ufl h PRO 10 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ufl h PRO 10 CO 0.88 0.27 0.05 1.05 -0.21 0.00 0.00 178.00 180.03 1ufl h GLU 11 N 0.42 0.00 -0.05 1.05 9.09 -1.94 -2.40 114.58 120.75 1ufl h GLU 11 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 1ufl h GLU 11 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1ufl h GLU 11 CO -0.20 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.49 1ufl n LYS 12 N -4.36 2.20 -0.28 1.06 4.76 0.49 -4.52 118.16 117.50 1ufl n LYS 12 Ca -0.02 -1.89 0.06 0.00 -2.87 0.00 0.00 58.31 53.59 1ufl n LYS 12 Cb 0.15 -1.44 0.20 0.00 -1.84 0.00 0.00 35.03 32.10 1ufl n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ufl h LEU 13 N 4.49 0.50 -0.23 -0.35 5.85 -1.10 -1.76 115.31 122.71 1ufl h LEU 13 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ufl h LEU 13 Cb 0.96 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ufl h LEU 13 CO 0.00 0.23 0.14 -1.13 -0.34 0.00 0.00 178.44 177.34 1ufl h ASN 14 N 0.61 0.28 -0.44 1.25 -0.73 -1.79 0.78 115.58 115.54 1ufl h ASN 14 Ca 0.43 -0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.50 1ufl h ASN 14 Cb 0.58 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 1ufl h ASN 14 CO -0.34 0.25 0.09 -0.33 -0.37 0.00 0.00 177.43 176.73 1ufl h GLU 15 N 0.29 0.72 -0.70 6.67 5.08 -1.78 0.11 114.58 124.97 1ufl h GLU 15 Ca 0.08 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1ufl h GLU 15 Cb 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ufl h GLU 15 CO -0.02 0.73 0.37 0.28 -1.00 0.00 0.00 179.01 179.38 1ufl h VAL 16 N 0.59 1.21 -0.04 3.13 2.07 -1.21 0.41 116.25 122.42 1ufl h VAL 16 Ca 0.14 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 1ufl h VAL 16 Cb 0.34 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1ufl h VAL 16 CO 0.00 0.24 -0.56 -0.07 0.02 0.00 0.00 177.57 177.21 1ufl h LEU 17 N 0.98 0.15 -0.04 2.57 3.38 -0.35 -0.94 115.31 121.07 1ufl h LEU 17 Ca 0.25 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 1ufl h LEU 17 Cb 0.05 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ufl h LEU 17 CO -0.04 0.68 -0.90 0.11 0.09 0.00 0.00 178.44 178.38 1ufl h LYS 18 N 0.10 0.67 -0.29 1.13 1.57 -0.04 -3.01 116.57 116.71 1ufl h LYS 18 Ca -0.00 -0.67 -0.08 0.00 -1.87 0.00 0.00 60.65 58.02 1ufl h LYS 18 Cb 1.02 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1ufl h LYS 18 CO 0.08 1.27 -0.16 0.00 -0.57 0.00 0.00 179.45 180.06 1ufl h ALA 19 N 0.42 1.18 0.00 3.86 0.00 -0.11 -2.28 119.26 122.33 1ufl h ALA 19 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ufl h ALA 19 Cb 1.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ufl h ALA 19 CO 0.18 0.52 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1ufl h LEU 20 N 0.47 0.00 0.00 0.00 3.38 -1.20 -2.98 115.31 114.97 1ufl h LEU 20 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1ufl h LEU 20 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1ufl h LEU 20 CO 0.04 0.00 -1.81 0.49 0.09 0.00 0.00 178.44 177.25 1ufl n PHE 21 N -2.87 0.55 1.12 1.13 0.99 -1.06 -1.30 117.46 116.02 1ufl n PHE 21 Ca 0.03 0.18 0.14 0.00 -0.00 0.00 0.00 57.45 57.81 1ufl n PHE 21 Cb 0.44 -0.97 0.66 0.00 -1.00 0.00 0.00 39.48 38.60 1ufl n PHE 21 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ufl n GLN 22 N -2.75 0.12 -0.53 -1.08 6.02 -0.88 -2.09 117.38 116.18 1ufl n GLN 22 Ca -0.16 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.92 1ufl n GLN 22 Cb 0.90 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.95 1ufl n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ufl n ALA 23 N -1.44 3.16 -3.28 -1.58 0.00 -1.13 -5.01 120.51 111.24 1ufl n ALA 23 Ca 0.09 -2.23 -0.19 0.00 0.00 0.00 0.00 53.44 51.11 1ufl n ALA 23 Cb 0.31 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 18.98 1ufl n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ufl n GLU 24 N -0.28 -1.88 -3.60 0.00 -0.58 -0.89 -4.92 120.64 108.49 1ufl n GLU 24 Ca 0.23 1.52 -0.18 0.00 -0.42 0.00 0.00 57.16 58.31 1ufl n GLU 24 Cb 0.95 -3.93 -0.15 0.00 -0.57 0.00 0.00 31.44 27.74 1ufl n GLU 24 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1ufl s VAL 25 N -2.42 -0.28 0.00 2.62 1.01 -0.42 -4.98 120.40 115.94 1ufl s VAL 25 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1ufl s VAL 25 Cb -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1ufl s VAL 25 CO 0.82 -0.01 0.00 -2.11 0.00 0.00 0.00 175.10 173.80 1ufl n ARG 26 N 5.32 3.84 0.00 2.72 1.85 -1.26 -4.55 116.66 124.58 1ufl n ARG 26 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1ufl n ARG 26 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 1ufl n ARG 26 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ufl n GLY 27 N 4.99 0.00 3.43 2.89 0.00 -1.26 -4.85 105.19 110.39 1ufl n GLY 27 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ufl n GLY 27 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ufl n LEU 28 N 0.00 -0.41 -3.89 0.99 0.00 -1.26 -4.86 117.00 107.58 1ufl n LEU 28 Ca 0.00 0.92 -0.12 0.00 0.00 0.00 0.00 56.01 56.81 1ufl n LEU 28 Cb 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 43.42 42.20 1ufl n LEU 28 CO 0.00 -3.01 -0.36 0.28 0.00 0.00 0.00 177.39 174.30 1ufl s THR 29 N -1.46 0.05 0.15 1.96 -1.32 -1.08 -4.97 115.64 108.97 1ufl s THR 29 Ca 0.63 -0.12 -0.05 0.00 -1.21 0.00 0.00 61.69 60.93 1ufl s THR 29 Cb -0.63 -0.07 -0.02 0.00 -1.51 0.00 0.00 72.50 70.27 1ufl s THR 29 CO 0.59 -0.05 0.18 -1.48 -2.21 0.00 0.00 174.62 171.65 1ufl s LEU 30 N -0.18 1.31 0.36 9.08 0.05 -1.26 0.60 118.68 128.64 1ufl s LEU 30 Ca -0.02 -1.04 -0.16 0.00 0.05 0.00 0.00 54.13 52.96 1ufl s LEU 30 Cb -0.01 0.78 0.06 0.00 -2.05 0.00 0.00 46.19 44.97 1ufl s LEU 30 CO -0.00 -0.82 0.84 -0.94 -0.55 0.00 0.00 176.35 174.88 1ufl s SER 31 N -3.01 0.03 -0.19 1.48 1.04 -0.40 -4.96 113.70 107.70 1ufl s SER 31 Ca 0.21 -1.12 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 1ufl s SER 31 Cb 0.05 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 1ufl s SER 31 CO 0.01 -1.60 0.17 -0.13 0.98 0.00 0.00 173.24 172.67 1ufl s ARG 32 N -2.11 4.19 0.14 4.02 1.81 -1.26 0.11 118.95 125.85 1ufl s ARG 32 Ca 0.17 -0.14 0.00 0.00 -1.72 0.00 0.00 55.73 54.04 1ufl s ARG 32 Cb -0.05 -3.42 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 1ufl s ARG 32 CO 0.11 0.30 0.03 0.14 -0.68 0.00 0.00 175.30 175.19 1ufl s VAL 33 N 0.35 0.34 -0.04 3.52 -7.23 -0.48 -4.92 120.40 111.94 1ufl s VAL 33 Ca 0.10 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 1ufl s VAL 33 Cb -0.12 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1ufl s VAL 33 CO -0.00 -0.50 -0.20 0.00 -0.31 0.00 0.00 175.10 174.09 1ufl s GLN 34 N -3.99 2.00 0.48 4.82 0.00 -1.26 -0.51 119.66 121.19 1ufl s GLN 34 Ca 0.23 -0.71 -0.19 0.00 -0.00 0.00 0.00 55.36 54.69 1ufl s GLN 34 Cb 0.07 -1.74 -0.09 0.00 0.00 0.00 0.00 33.01 31.25 1ufl s GLN 34 CO 0.02 0.30 0.98 0.20 0.00 0.00 0.00 175.29 176.80 1ufl s GLY 35 N -0.08 2.30 -0.15 2.60 0.00 0.30 -4.72 107.32 107.57 1ufl s GLY 35 Ca -0.03 0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.98 1ufl s GLY 35 CO 0.02 0.66 0.37 -1.58 0.00 0.00 0.00 173.10 172.57 1ufl s HIS 36 N -2.30 -0.53 0.00 1.90 2.46 -1.26 -0.91 115.29 114.65 1ufl s HIS 36 Ca 0.62 1.16 0.00 0.00 0.47 0.00 0.00 55.06 57.31 1ufl s HIS 36 Cb -0.11 0.21 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 1ufl s HIS 36 CO 0.21 -0.31 0.00 0.41 -2.47 0.00 0.00 174.74 172.58 1ufl n GLY 37 N 4.15 0.65 0.09 1.59 0.00 -1.26 -5.10 105.19 105.31 1ufl n GLY 37 Ca -0.23 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1ufl n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufl n GLY 48 N -1.01 -0.14 3.56 -0.02 0.00 -1.26 -5.16 105.19 101.16 1ufl n GLY 48 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ufl n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ufl s THR 49 N -2.20 0.83 0.04 2.61 -4.23 -1.26 -5.17 115.64 106.26 1ufl s THR 49 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1ufl s THR 49 Cb 0.00 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1ufl s THR 49 CO 0.00 0.00 -0.19 -0.89 -0.54 0.00 0.00 174.62 173.00 1ufl s THR 50 N -3.14 1.54 0.08 3.99 2.01 -1.26 -5.14 115.64 113.73 1ufl s THR 50 Ca 0.22 -1.12 0.07 0.00 0.31 0.00 0.00 61.69 61.18 1ufl s THR 50 Cb 0.03 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1ufl s THR 50 CO 0.12 0.19 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.42 1ufl s VAL 51 N -0.77 3.10 -0.30 3.82 1.01 -1.26 -5.13 120.40 120.88 1ufl s VAL 51 Ca 0.06 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 1ufl s VAL 51 Cb -0.08 -2.40 0.16 0.00 0.00 0.00 0.00 36.38 34.05 1ufl s VAL 51 CO 0.01 0.19 0.62 -0.75 0.00 0.00 0.00 175.10 175.17 1ufl s LYS 52 N -1.93 0.56 0.36 2.72 2.36 -1.26 -5.16 119.74 117.39 1ufl s LYS 52 Ca 0.18 1.23 0.07 0.00 -2.55 0.00 0.00 55.97 54.89 1ufl s LYS 52 Cb -0.11 0.69 -0.07 0.00 -1.05 0.00 0.00 37.83 37.29 1ufl s LYS 52 CO 0.10 -0.40 -0.00 0.00 1.55 0.00 0.00 175.35 176.59 1ufl s MET 53 N 2.87 1.81 0.12 4.03 0.23 -1.26 -5.04 119.30 122.05 1ufl s MET 53 Ca 0.07 -1.99 0.12 0.00 -1.03 0.00 0.00 55.69 52.86 1ufl s MET 53 Cb -0.13 -1.40 -0.12 0.00 -1.53 0.00 0.00 34.83 31.65 1ufl s MET 53 CO -0.20 -0.04 1.10 1.05 -2.03 0.00 0.00 175.02 174.91 1ufl h GLU 54 N 1.96 0.00 -6.46 3.16 4.11 -2.02 -3.46 114.58 111.88 1ufl h GLU 54 Ca -0.42 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.36 1ufl h GLU 54 Cb 1.24 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.23 1ufl h GLU 54 CO 0.75 0.61 -0.86 -0.51 0.07 0.00 0.00 179.01 179.06 1ufl s LEU 55 N -6.31 2.16 -0.11 3.06 1.43 -1.26 -4.47 118.68 113.19 1ufl s LEU 55 Ca -0.00 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1ufl s LEU 55 Cb 0.09 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1ufl s LEU 55 CO 0.80 0.22 -0.19 -1.00 0.23 0.00 0.00 176.35 176.40 1ufl s HIS 56 N -0.80 2.28 0.19 0.29 3.76 -0.08 -4.85 115.29 116.07 1ufl s HIS 56 Ca 0.10 -1.03 -0.32 0.00 -0.15 0.00 0.00 55.06 53.66 1ufl s HIS 56 Cb -0.09 -1.58 -0.11 0.00 1.11 0.00 0.00 32.58 31.91 1ufl s HIS 56 CO 0.02 -0.47 1.66 -1.21 -0.85 0.00 0.00 174.74 173.88 1ufl s GLU 57 N 0.71 4.16 0.03 1.40 0.41 -1.26 0.11 118.70 124.26 1ufl s GLU 57 Ca -0.11 2.50 0.00 0.00 -0.41 0.00 0.00 54.97 56.95 1ufl s GLU 57 Cb -0.16 -3.13 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 1ufl s GLU 57 CO 0.02 -0.69 -0.04 0.15 -0.49 0.00 0.00 175.26 174.21 1ufl s LYS 58 N 1.23 0.44 -0.16 1.61 -0.14 0.33 -4.25 119.74 118.81 1ufl s LYS 58 Ca 0.73 -0.78 -0.05 0.00 -1.36 0.00 0.00 55.97 54.50 1ufl s LYS 58 Cb -0.47 0.03 -0.03 0.00 -1.68 0.00 0.00 37.83 35.67 1ufl s LYS 58 CO 0.32 -0.04 0.01 0.08 -0.76 0.00 0.00 175.35 174.96 1ufl s VAL 59 N -1.98 4.35 -0.37 3.17 1.01 0.19 -1.38 120.40 125.39 1ufl s VAL 59 Ca -0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1ufl s VAL 59 Cb -0.06 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.44 1ufl s VAL 59 CO -0.02 0.49 0.17 -0.60 0.00 0.00 0.00 175.10 175.14 1ufl s ARG 60 N 0.20 2.69 0.59 2.72 3.52 0.30 -1.39 118.95 127.57 1ufl s ARG 60 Ca 0.01 -1.20 -0.05 0.00 -0.13 0.00 0.00 55.73 54.36 1ufl s ARG 60 Cb -0.13 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 1ufl s ARG 60 CO 0.02 -0.73 0.89 -0.51 -0.81 0.00 0.00 175.30 174.15 1ufl s LEU 61 N 1.46 3.24 -0.40 -0.88 1.02 0.11 -1.27 118.68 121.96 1ufl s LEU 61 Ca 0.01 0.66 0.07 0.00 0.02 0.00 0.00 54.13 54.88 1ufl s LEU 61 Cb -0.20 -3.48 0.17 0.00 0.02 0.00 0.00 46.19 42.70 1ufl s LEU 61 CO 0.04 -1.07 0.56 -0.70 0.02 0.00 0.00 176.35 175.20 1ufl s GLU 62 N -4.97 0.77 -0.20 1.70 2.12 0.20 -2.39 118.70 115.94 1ufl s GLU 62 Ca 0.54 -0.46 -0.09 0.00 0.36 0.00 0.00 54.97 55.31 1ufl s GLU 62 Cb -0.10 -0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.09 1ufl s GLU 62 CO 0.44 -1.20 0.11 0.42 -0.54 0.00 0.00 175.26 174.50 1ufl s ILE 63 N 1.70 5.17 -0.16 -3.70 1.09 -0.45 -2.63 121.20 122.21 1ufl s ILE 63 Ca 0.17 0.11 -0.16 0.00 -1.10 0.00 0.00 60.65 59.67 1ufl s ILE 63 Cb -0.07 -3.36 -0.04 0.00 -1.06 0.00 0.00 42.46 37.92 1ufl s ILE 63 CO -0.06 0.43 0.37 -0.83 -0.10 0.00 0.00 174.94 174.76 1ufl s GLY 64 N 0.48 2.22 0.12 6.18 0.00 -1.26 0.76 107.32 115.83 1ufl s GLY 64 Ca 0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 44.72 44.37 1ufl s GLY 64 CO -0.00 0.64 0.03 -1.34 0.00 0.00 0.00 173.10 172.43 1ufl s VAL 65 N 0.78 0.24 0.58 1.40 -7.23 0.77 -4.95 120.40 111.98 1ufl s VAL 65 Ca 0.20 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1ufl s VAL 65 Cb -0.14 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1ufl s VAL 65 CO 0.07 -0.57 0.95 -0.44 -0.31 0.00 0.00 175.10 174.80 1ufl s SER 66 N -3.05 6.22 0.16 4.85 0.01 -1.26 -1.40 113.70 119.23 1ufl s SER 66 Ca 0.21 1.25 -0.16 0.00 1.31 0.00 0.00 55.95 58.55 1ufl s SER 66 Cb 0.07 -2.38 0.10 0.00 0.21 0.00 0.00 66.02 64.02 1ufl s SER 66 CO -0.00 -0.79 1.70 -0.33 0.41 0.00 0.00 173.24 174.23 1ufl h GLU 67 N -0.15 0.11 -0.49 12.44 4.39 -1.97 -2.94 114.58 125.96 1ufl h GLU 67 Ca -0.45 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.31 1ufl h GLU 67 Cb 1.20 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.73 1ufl h GLU 67 CO 0.62 0.07 -0.50 -1.35 -1.16 0.00 0.00 179.01 176.69 1ufl h PRO 68 N 0.11 -0.30 -0.77 2.33 0.11 -2.03 -1.86 132.00 129.59 1ufl h PRO 68 Ca 0.19 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1ufl h PRO 68 Cb 0.26 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1ufl h PRO 68 CO -0.30 -0.20 0.00 1.97 -0.21 0.00 0.00 178.00 179.25 1ufl n PHE 69 N -5.39 0.22 -0.14 0.65 -1.74 -1.12 -4.17 117.46 105.76 1ufl n PHE 69 Ca -0.01 -0.08 -0.11 0.00 -0.56 0.00 0.00 57.45 56.69 1ufl n PHE 69 Cb 0.34 -0.12 -0.01 0.00 1.52 0.00 0.00 39.48 41.21 1ufl n PHE 69 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 1ufl h VAL 70 N 0.48 1.28 -0.13 1.97 2.07 -1.19 -2.41 116.25 118.32 1ufl h VAL 70 Ca 0.00 -1.24 -0.18 0.00 0.82 0.00 0.00 66.70 66.10 1ufl h VAL 70 Cb 0.56 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1ufl h VAL 70 CO 0.05 0.42 -0.66 0.11 0.02 0.00 0.00 177.57 177.50 1ufl h LYS 71 N 0.65 0.52 -0.44 1.57 1.57 -1.80 -2.56 116.57 116.08 1ufl h LYS 71 Ca 0.10 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1ufl h LYS 71 Cb 0.67 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1ufl h LYS 71 CO 0.05 1.00 0.26 -1.35 -0.57 0.00 0.00 179.45 178.83 1ufl h PRO 72 N 0.37 0.61 0.40 3.15 0.11 -1.80 0.79 132.00 135.63 1ufl h PRO 72 Ca -0.02 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1ufl h PRO 72 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ufl h PRO 72 CO 0.12 0.47 -0.19 1.15 -0.21 0.00 0.00 178.00 179.34 1ufl h THR 73 N 0.59 0.60 -0.72 -1.15 2.02 -1.45 0.08 112.91 112.87 1ufl h THR 73 Ca 0.16 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1ufl h THR 73 Cb 0.03 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1ufl h THR 73 CO -0.03 0.04 0.48 0.58 0.37 0.00 0.00 175.52 176.96 1ufl h VAL 74 N -0.67 1.02 0.06 3.16 2.07 -1.36 -1.08 116.25 119.45 1ufl h VAL 74 Ca -0.06 -0.26 -0.28 0.00 0.82 0.00 0.00 66.70 66.93 1ufl h VAL 74 Cb 0.49 0.20 0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1ufl h VAL 74 CO 0.09 0.14 -1.11 -0.33 0.02 0.00 0.00 177.57 176.37 1ufl h GLU 75 N 0.76 0.65 -0.70 1.57 5.08 -0.73 -0.22 114.58 120.99 1ufl h GLU 75 Ca 0.31 -0.78 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1ufl h GLU 75 Cb 0.26 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1ufl h GLU 75 CO -0.10 1.34 0.44 0.00 -1.00 0.00 0.00 179.01 179.69 1ufl h ALA 76 N 0.34 0.92 -0.02 3.43 0.00 -0.55 -0.18 119.26 123.20 1ufl h ALA 76 Ca -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ufl h ALA 76 Cb 1.78 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ufl h ALA 76 CO 0.22 0.22 -0.01 0.82 0.00 0.00 0.00 179.25 180.49 1ufl h ILE 77 N 0.86 1.37 -0.29 0.00 2.04 -1.19 -0.51 117.51 119.78 1ufl h ILE 77 Ca 0.28 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 65.12 1ufl h ILE 77 Cb 0.02 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1ufl h ILE 77 CO -0.11 0.29 0.23 -0.07 0.00 0.00 0.00 178.15 178.49 1ufl h LEU 78 N -0.41 0.00 0.06 1.44 3.38 -0.80 0.52 115.31 119.49 1ufl h LEU 78 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1ufl h LEU 78 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ufl h LEU 78 CO 0.00 0.00 -0.41 0.11 0.09 0.00 0.00 178.44 178.24 1ufl h LYS 79 N 0.00 0.18 0.00 1.13 1.57 -0.83 -3.02 116.57 115.60 1ufl h LYS 79 Ca 0.14 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ufl h LYS 79 Cb 0.59 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ufl h LYS 79 CO -0.00 1.08 0.00 0.00 -0.57 0.00 0.00 179.45 179.96 1ufl h ALA 80 N 0.11 1.00 0.00 3.86 0.00 -0.38 -3.34 119.26 120.51 1ufl h ALA 80 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1ufl h ALA 80 Cb 1.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1ufl h ALA 80 CO 0.08 0.00 -2.05 0.00 0.00 0.00 0.00 179.25 177.27 1ufl n ALA 81 N -2.09 1.97 -1.86 0.00 0.00 0.11 -4.44 120.51 114.20 1ufl n ALA 81 Ca 0.02 -0.88 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1ufl n ALA 81 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 1ufl n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ufl s ARG 82 N -2.72 4.21 0.00 0.00 3.52 -1.14 -4.85 118.95 117.97 1ufl s ARG 82 Ca -0.08 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 1ufl s ARG 82 Cb 0.07 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1ufl s ARG 82 CO 0.72 -0.55 0.06 0.25 -0.81 0.00 0.00 175.30 174.97 1ufl n THR 83 N 2.96 0.00 -0.98 4.11 -2.24 -1.26 -5.01 114.28 111.85 1ufl n THR 83 Ca 0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1ufl n THR 83 Cb 0.39 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1ufl n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ufl n GLY 84 N 0.24 0.91 3.78 3.38 0.00 -1.26 -5.01 105.19 107.23 1ufl n GLY 84 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ufl n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ufl s GLU 85 N -0.04 3.16 0.17 1.61 2.56 -1.26 -5.06 118.70 119.84 1ufl s GLU 85 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 54.97 54.30 1ufl s GLU 85 Cb 0.00 -2.94 -0.11 0.00 2.00 0.00 0.00 34.13 33.08 1ufl s GLU 85 CO 0.00 0.70 1.66 0.08 -0.56 0.00 0.00 175.26 177.14 1ufl s VAL 86 N -1.06 2.39 0.00 3.70 1.01 -1.26 -2.68 120.40 122.49 1ufl s VAL 86 Ca 0.18 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1ufl s VAL 86 Cb -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1ufl s VAL 86 CO 0.08 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1ufl n GLY 87 N 3.90 1.24 0.27 4.51 0.00 -1.26 -5.00 105.19 108.86 1ufl n GLY 87 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1ufl n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ufl h ASP 88 N 0.00 0.00 -3.99 1.61 3.32 -1.87 -3.43 116.42 112.05 1ufl h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ufl h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ufl h ASP 88 CO 0.00 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 1ufl n GLY 89 N -0.86 -0.89 3.53 2.75 0.00 -1.26 -4.15 105.19 104.32 1ufl n GLY 89 Ca -0.02 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 1ufl n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufl s LYS 90 N 0.00 1.40 -0.08 1.61 -2.85 -1.13 -5.00 119.74 113.69 1ufl s LYS 90 Ca 0.00 -0.94 0.01 0.00 -1.00 0.00 0.00 55.97 54.04 1ufl s LYS 90 Cb 0.00 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.29 1ufl s LYS 90 CO 0.00 -0.59 -0.10 0.42 0.10 0.00 0.00 175.35 175.19 1ufl s ILE 91 N -3.90 1.01 -0.20 3.79 1.01 -1.26 -1.07 121.20 120.58 1ufl s ILE 91 Ca 0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1ufl s ILE 91 Cb -0.01 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1ufl s ILE 91 CO -0.01 0.34 -0.01 -0.36 0.00 0.00 0.00 174.94 174.90 1ufl s PHE 92 N 1.01 3.01 -0.28 3.97 0.40 -0.61 -4.95 117.98 120.53 1ufl s PHE 92 Ca -0.08 -0.57 -0.14 0.00 -0.60 0.00 0.00 56.93 55.53 1ufl s PHE 92 Cb -0.15 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1ufl s PHE 92 CO -0.00 -0.31 0.35 0.08 0.70 0.00 0.00 175.22 176.03 1ufl s VAL 93 N 1.10 5.19 -0.00 -0.44 1.01 -1.26 -1.15 120.40 124.84 1ufl s VAL 93 Ca 0.02 0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1ufl s VAL 93 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1ufl s VAL 93 CO 0.01 0.13 -0.20 -0.76 0.00 0.00 0.00 175.10 174.28 1ufl s LEU 94 N 2.02 2.44 0.76 3.92 1.43 -0.33 -4.95 118.68 123.98 1ufl s LEU 94 Ca 0.13 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 1ufl s LEU 94 Cb -0.16 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1ufl s LEU 94 CO 0.10 0.30 1.19 -2.84 0.23 0.00 0.00 176.35 175.34 1ufl s PRO 95 N -0.99 1.97 -0.09 1.29 0.02 -1.26 -0.65 135.00 135.29 1ufl s PRO 95 Ca 0.12 1.71 -0.04 0.00 0.02 0.00 0.00 61.00 62.81 1ufl s PRO 95 Cb -0.10 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.64 1ufl s PRO 95 CO 0.02 -1.95 0.20 0.08 -0.33 0.00 0.00 177.00 175.02 1ufl s VAL 96 N -2.12 -0.07 -0.05 3.83 1.01 -1.25 -4.61 120.40 117.14 1ufl s VAL 96 Ca 0.73 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 1ufl s VAL 96 Cb -0.28 -0.32 -0.29 0.00 0.00 0.00 0.00 36.38 35.49 1ufl s VAL 96 CO 0.48 0.07 0.67 -0.33 0.00 0.00 0.00 175.10 175.99 1ufl h GLU 97 N 7.32 0.33 -1.83 2.72 5.08 -1.96 -3.40 114.58 122.84 1ufl h GLU 97 Ca -0.39 -0.56 0.09 0.00 -1.00 0.00 0.00 59.36 57.50 1ufl h GLU 97 Cb 1.15 0.21 -0.20 0.00 0.50 0.00 0.00 28.75 30.40 1ufl h GLU 97 CO 0.37 1.22 -0.11 0.21 -1.00 0.00 0.00 179.01 179.71 1ufl s LYS 98 N -2.59 0.55 -0.17 2.33 2.20 -1.26 -4.98 119.74 115.82 1ufl s LYS 98 Ca -0.15 1.36 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1ufl s LYS 98 Cb 0.06 0.82 -0.01 0.00 -1.51 0.00 0.00 37.83 37.18 1ufl s LYS 98 CO 0.84 -0.22 -0.09 0.54 -0.36 0.00 0.00 175.35 176.06 1ufl s VAL 99 N 2.86 3.20 0.06 4.02 0.11 -1.26 -5.12 120.40 124.28 1ufl s VAL 99 Ca -0.04 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 1ufl s VAL 99 Cb -0.12 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 1ufl s VAL 99 CO -0.19 0.48 -0.00 -0.31 -3.33 0.00 0.00 175.10 171.75 1ufl s TYR 100 N 0.88 3.01 -0.30 1.54 1.51 -1.26 -3.85 117.35 118.89 1ufl s TYR 100 Ca -0.02 0.00 -0.12 0.00 -1.01 0.00 0.00 57.07 55.93 1ufl s TYR 100 Cb -0.15 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1ufl s TYR 100 CO 0.00 0.47 0.20 0.50 -1.11 0.00 0.00 175.55 175.62 1ufl s ARG 101 N -2.08 3.73 0.24 -0.62 3.52 -1.21 -4.88 118.95 117.65 1ufl s ARG 101 Ca 0.24 -0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 55.30 1ufl s ARG 101 Cb -0.12 -3.70 0.22 0.00 -1.56 0.00 0.00 34.95 29.80 1ufl s ARG 101 CO 0.16 -0.30 1.89 0.82 -0.81 0.00 0.00 175.30 177.06 1ufl h ILE 102 N 5.44 1.26 -0.08 4.11 2.04 -1.96 1.62 117.51 129.94 1ufl h ILE 102 Ca -0.34 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1ufl h ILE 102 Cb 1.17 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1ufl h ILE 102 CO 0.59 0.27 -0.12 -0.09 0.00 0.00 0.00 178.15 178.79 1ufl h ARG 103 N 1.29 -0.17 0.00 2.37 2.43 -2.02 -3.34 114.38 114.95 1ufl h ARG 103 Ca 0.34 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1ufl h ARG 103 Cb -0.06 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1ufl h ARG 103 CO -0.06 -0.11 -1.55 0.25 -1.51 0.00 0.00 179.97 176.99 1ufl n THR 104 N -5.26 0.29 -1.59 0.20 -2.24 -1.20 -5.05 114.28 99.42 1ufl n THR 104 Ca -0.04 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1ufl n THR 104 Cb 0.18 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ufl n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ufl n GLY 105 N 2.14 0.71 0.00 3.38 0.00 0.55 -5.01 105.19 106.97 1ufl n GLY 105 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1ufl n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ufl n GLU 106 N -0.53 1.45 0.00 1.61 1.02 -1.21 -4.74 120.64 118.24 1ufl n GLU 106 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ufl n GLU 106 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1ufl n GLU 106 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ufl n GLU 107 N -0.33 2.32 -3.18 3.49 1.02 -1.25 -3.36 120.64 119.35 1ufl n GLU 107 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1ufl n GLU 107 Cb 0.00 -0.23 -0.06 0.00 -0.02 0.00 0.00 31.44 31.13 1ufl n GLU 107 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ufl n ASP 108 N -0.09 3.41 0.00 1.62 -0.08 -1.26 -4.09 116.55 116.06 1ufl n ASP 108 Ca 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 54.79 49.86 1ufl n ASP 108 Cb 0.00 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 42.84 1ufl n ASP 108 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48