#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm2 n GLU 13 N 0.00 0.28 -0.32 -0.78 2.13 -1.26 -2.91 120.64 117.78 1wm2 n GLU 13 Ca 0.00 0.06 0.11 0.00 0.66 0.00 0.00 57.16 57.99 1wm2 n GLU 13 Cb 0.00 -1.50 0.29 0.00 0.27 0.00 0.00 31.44 30.50 1wm2 n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wm2 n ASN 14 N -1.32 3.52 -5.00 4.31 5.03 -1.26 -4.92 115.26 115.61 1wm2 n ASN 14 Ca 0.11 -1.99 -0.18 0.00 0.87 0.00 0.00 54.58 53.38 1wm2 n ASN 14 Cb 0.21 -0.42 0.01 0.00 -1.02 0.00 0.00 39.78 38.56 1wm2 n ASN 14 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1wm2 s ASN 15 N -1.05 5.65 -0.32 6.41 -0.87 -1.15 -5.07 114.94 118.54 1wm2 s ASN 15 Ca 0.44 -0.36 -0.14 0.00 -1.57 0.00 0.00 52.86 51.23 1wm2 s ASN 15 Cb 0.23 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.25 40.71 1wm2 s ASN 15 CO 0.30 -0.77 0.34 -1.81 -2.57 0.00 0.00 177.10 172.58 1wm2 s ASP 16 N -4.34 6.17 -0.07 -1.22 1.11 -1.26 -5.02 116.67 112.04 1wm2 s ASP 16 Ca 0.54 -0.08 -0.04 0.00 0.18 0.00 0.00 52.55 53.16 1wm2 s ASP 16 Cb -0.10 -2.19 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 1wm2 s ASP 16 CO 0.33 -0.26 0.09 -1.00 1.18 0.00 0.00 175.17 175.52 1wm2 s HIS 17 N 1.98 3.39 -0.08 4.23 3.76 -1.26 -0.70 115.29 126.61 1wm2 s HIS 17 Ca 0.12 0.34 0.04 0.00 -0.15 0.00 0.00 55.06 55.40 1wm2 s HIS 17 Cb -0.16 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.68 1wm2 s HIS 17 CO 0.11 0.61 -0.19 -1.50 -0.85 0.00 0.00 174.74 172.92 1wm2 s ILE 18 N -1.05 2.55 -0.04 0.60 2.07 0.30 -4.89 121.20 120.74 1wm2 s ILE 18 Ca 0.17 -0.87 -0.21 0.00 -1.41 0.00 0.00 60.65 58.33 1wm2 s ILE 18 Cb -0.12 -1.99 -0.05 0.00 0.13 0.00 0.00 42.46 40.43 1wm2 s ILE 18 CO 0.07 0.56 0.60 0.20 -1.91 0.00 0.00 174.94 174.47 1wm2 s ASN 19 N -0.09 6.93 0.06 4.50 0.01 -1.26 -1.95 114.94 123.13 1wm2 s ASN 19 Ca -0.04 1.11 0.06 0.00 -0.71 0.00 0.00 52.86 53.27 1wm2 s ASN 19 Cb -0.14 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1wm2 s ASN 19 CO 0.04 0.02 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.74 1wm2 s LEU 20 N 0.24 2.21 -0.11 0.60 1.43 0.07 -0.34 118.68 122.78 1wm2 s LEU 20 Ca 0.32 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1wm2 s LEU 20 Cb -0.17 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 1wm2 s LEU 20 CO 0.16 0.02 -0.06 -0.54 0.23 0.00 0.00 176.35 176.17 1wm2 s LYS 21 N -1.39 3.16 -0.26 1.70 1.02 -0.31 -1.02 119.74 122.63 1wm2 s LYS 21 Ca 0.02 -0.54 -0.05 0.00 0.02 0.00 0.00 55.97 55.42 1wm2 s LYS 21 Cb -0.09 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1wm2 s LYS 21 CO 0.02 0.48 0.02 0.08 -0.92 0.00 0.00 175.35 175.02 1wm2 s VAL 22 N -0.29 3.61 -0.26 3.17 1.01 0.10 -0.17 120.40 127.57 1wm2 s VAL 22 Ca 0.04 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1wm2 s VAL 22 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1wm2 s VAL 22 CO 0.02 0.21 0.02 0.00 0.00 0.00 0.00 175.10 175.35 1wm2 s ALA 23 N 1.46 2.95 0.67 5.51 0.00 0.26 -1.35 121.76 131.26 1wm2 s ALA 23 Ca 0.03 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 1wm2 s ALA 23 Cb -0.16 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.03 1wm2 s ALA 23 CO -0.00 -0.71 1.03 0.20 0.00 0.00 0.00 175.76 176.28 1wm2 s GLY 24 N 1.48 1.62 0.00 0.00 0.00 -0.15 -1.45 107.32 108.82 1wm2 s GLY 24 Ca 0.04 -0.45 0.19 0.00 0.00 0.00 0.00 44.72 44.50 1wm2 s GLY 24 CO -0.00 -0.11 1.61 -1.06 0.00 0.00 0.00 173.10 173.54 1wm2 n GLN 25 N -2.87 0.05 -0.09 2.90 1.13 -0.85 -1.95 117.38 115.70 1wm2 n GLN 25 Ca 0.06 0.16 0.09 0.00 -1.94 0.00 0.00 57.00 55.38 1wm2 n GLN 25 Cb 0.57 -1.50 0.34 0.00 0.11 0.00 0.00 30.24 29.77 1wm2 n GLN 25 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1wm2 n ASP 26 N -1.46 1.56 0.00 1.08 3.85 -1.26 -4.91 116.55 115.40 1wm2 n ASP 26 Ca 0.05 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.39 1wm2 n ASP 26 Cb 0.21 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.86 1wm2 n ASP 26 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wm2 n GLY 27 N 1.08 2.39 3.77 6.12 0.00 -0.82 -5.05 105.19 112.68 1wm2 n GLY 27 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1wm2 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wm2 s SER 28 N -1.44 6.35 -0.18 1.61 1.04 -1.26 -4.80 113.70 115.03 1wm2 s SER 28 Ca 0.00 2.56 -0.01 0.00 0.48 0.00 0.00 55.95 58.99 1wm2 s SER 28 Cb 0.00 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.53 1wm2 s SER 28 CO 0.00 -0.81 -0.04 -0.69 0.98 0.00 0.00 173.24 172.68 1wm2 s VAL 29 N -1.30 1.09 -0.09 5.02 1.01 -1.26 -0.98 120.40 123.88 1wm2 s VAL 29 Ca 0.57 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1wm2 s VAL 29 Cb -0.36 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1wm2 s VAL 29 CO 0.46 0.06 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 1wm2 s VAL 30 N 1.63 3.23 -0.05 2.92 1.01 -0.45 -4.92 120.40 123.76 1wm2 s VAL 30 Ca -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1wm2 s VAL 30 Cb -0.16 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1wm2 s VAL 30 CO -0.07 0.56 0.11 -1.58 0.00 0.00 0.00 175.10 174.12 1wm2 s GLN 31 N -0.24 3.26 0.11 2.72 2.00 -1.26 0.01 119.66 126.25 1wm2 s GLN 31 Ca 0.02 -0.32 0.04 0.00 -2.00 0.00 0.00 55.36 53.10 1wm2 s GLN 31 Cb -0.13 -3.01 -0.04 0.00 0.80 0.00 0.00 33.01 30.63 1wm2 s GLN 31 CO 0.03 0.70 -0.11 -0.06 -0.50 0.00 0.00 175.29 175.35 1wm2 s PHE 32 N -1.13 1.18 -0.07 1.67 0.40 -0.19 -4.98 117.98 114.85 1wm2 s PHE 32 Ca 0.20 -0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1wm2 s PHE 32 Cb -0.12 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.81 1wm2 s PHE 32 CO 0.10 0.05 0.04 0.21 0.70 0.00 0.00 175.22 176.32 1wm2 s LYS 33 N -2.81 0.26 0.15 0.44 2.20 -1.26 -0.75 119.74 117.97 1wm2 s LYS 33 Ca 0.07 0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1wm2 s LYS 33 Cb -0.03 -0.91 -0.04 0.00 -1.51 0.00 0.00 37.83 35.33 1wm2 s LYS 33 CO 0.01 -0.37 0.06 0.96 -0.36 0.00 0.00 175.35 175.65 1wm2 s ILE 34 N 2.07 0.22 0.61 5.43 -4.36 -0.82 -4.93 121.20 119.40 1wm2 s ILE 34 Ca 0.04 -1.94 -0.17 0.00 -0.26 0.00 0.00 60.65 58.33 1wm2 s ILE 34 Cb -0.13 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 1wm2 s ILE 34 CO -0.05 -0.40 1.11 -0.54 0.24 0.00 0.00 174.94 175.30 1wm2 s LYS 35 N -4.03 3.08 0.57 0.37 1.02 -1.26 -0.54 119.74 118.94 1wm2 s LYS 35 Ca 0.26 1.43 0.27 0.00 0.02 0.00 0.00 55.97 57.96 1wm2 s LYS 35 Cb 0.07 -1.98 1.68 0.00 -0.52 0.00 0.00 37.83 37.08 1wm2 s LYS 35 CO 0.04 -1.04 2.21 -0.09 -0.92 0.00 0.00 175.35 175.55 1wm2 h ARG 36 N 0.51 0.00 -0.56 1.68 2.43 -1.26 -1.76 114.38 115.42 1wm2 h ARG 36 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1wm2 h ARG 36 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1wm2 h ARG 36 CO 0.56 0.03 0.00 0.72 -1.51 0.00 0.00 179.97 179.76 1wm2 n HIS 37 N -3.89 1.43 -3.05 2.20 8.25 -1.26 -0.92 115.22 117.98 1wm2 n HIS 37 Ca -0.03 -0.66 -0.40 0.00 -0.26 0.00 0.00 57.72 56.38 1wm2 n HIS 37 Cb 0.12 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 1wm2 n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wm2 s THR 38 N -2.07 4.83 0.37 1.59 2.01 -0.66 -4.92 115.64 116.79 1wm2 s THR 38 Ca 0.48 1.50 -0.28 0.00 0.31 0.00 0.00 61.69 63.71 1wm2 s THR 38 Cb 0.33 -4.06 -0.11 0.00 0.01 0.00 0.00 72.50 68.68 1wm2 s THR 38 CO 0.20 0.36 1.43 -2.16 -0.69 0.00 0.00 174.62 173.76 1wm2 s PRO 39 N 0.07 4.15 0.02 4.92 0.04 -1.26 -4.06 135.00 138.88 1wm2 s PRO 39 Ca 0.37 2.46 0.17 0.00 0.04 0.00 0.00 61.00 64.04 1wm2 s PRO 39 Cb -0.19 -2.97 0.74 0.00 0.04 0.00 0.00 34.50 32.11 1wm2 s PRO 39 CO 0.21 -0.45 1.55 1.28 0.04 0.00 0.00 177.00 179.63 1wm2 n LEU 40 N 0.51 0.05 -0.09 -3.56 4.77 0.96 -1.59 117.00 118.04 1wm2 n LEU 40 Ca 0.01 0.51 0.22 0.00 -0.03 0.00 0.00 56.01 56.71 1wm2 n LEU 40 Cb 0.40 -0.50 0.66 0.00 -2.33 0.00 0.00 43.42 41.64 1wm2 n LEU 40 CO 0.62 -0.23 1.21 0.77 -1.33 0.00 0.00 177.39 178.43 1wm2 h SER 41 N 0.00 0.10 -0.14 -1.43 4.64 -1.64 0.12 113.55 115.20 1wm2 h SER 41 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1wm2 h SER 41 Cb 0.30 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1wm2 h SER 41 CO 0.00 0.05 0.09 0.50 -0.87 0.00 0.00 176.83 176.59 1wm2 h LYS 42 N 0.10 0.19 -0.28 4.77 3.64 -1.59 -0.17 116.57 123.23 1wm2 h LYS 42 Ca 0.33 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.56 1wm2 h LYS 42 Cb 1.18 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1wm2 h LYS 42 CO -0.04 0.17 -0.34 1.25 -2.27 0.00 0.00 179.45 178.23 1wm2 h LEU 43 N 0.16 0.78 -0.51 5.20 6.46 -1.44 -2.59 115.31 123.37 1wm2 h LEU 43 Ca 0.05 -0.49 -0.08 0.00 -0.12 0.00 0.00 57.88 57.24 1wm2 h LEU 43 Cb 0.03 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.72 1wm2 h LEU 43 CO -0.01 1.12 0.02 0.24 -0.62 0.00 0.00 178.44 179.19 1wm2 h MET 44 N 0.46 0.88 -0.40 1.25 2.86 -0.64 0.02 114.93 119.36 1wm2 h MET 44 Ca 0.04 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1wm2 h MET 44 Cb 0.92 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1wm2 h MET 44 CO 0.08 0.90 0.13 0.87 1.06 0.00 0.00 176.91 179.96 1wm2 h LYS 45 N 0.75 0.63 -0.55 1.72 1.57 -1.08 -1.82 116.57 117.78 1wm2 h LYS 45 Ca 0.15 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1wm2 h LYS 45 Cb 0.49 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1wm2 h LYS 45 CO 0.02 0.62 0.36 0.00 -0.57 0.00 0.00 179.45 179.89 1wm2 h ALA 46 N 0.98 0.70 -0.21 3.86 0.00 -1.28 -0.82 119.26 122.49 1wm2 h ALA 46 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wm2 h ALA 46 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wm2 h ALA 46 CO -0.00 0.15 0.11 -0.92 0.00 0.00 0.00 179.25 178.58 1wm2 h TYR 47 N 0.75 0.30 -0.59 0.00 3.20 -0.88 -1.05 116.97 118.70 1wm2 h TYR 47 Ca 0.20 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1wm2 h TYR 47 Cb -0.08 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1wm2 h TYR 47 CO -0.03 0.28 0.13 0.00 -1.64 0.00 0.00 178.16 176.90 1wm2 h GLU 49 N 0.86 0.18 -0.02 0.00 5.08 -0.92 -1.38 114.58 118.37 1wm2 h GLU 49 Ca 0.18 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 1wm2 h GLU 49 Cb 0.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1wm2 h GLU 49 CO 0.00 0.25 -0.76 0.00 -1.00 0.00 0.00 179.01 177.50 1wm2 h ARG 50 N 0.05 0.18 -0.26 2.33 3.08 -1.13 -3.23 114.38 115.41 1wm2 h ARG 50 Ca 0.04 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1wm2 h ARG 50 Cb 0.14 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1wm2 h ARG 50 CO -0.00 0.86 0.00 1.04 -1.07 0.00 0.00 179.97 180.79 1wm2 n GLN 51 N -3.73 2.12 -2.88 0.04 1.13 -0.11 -4.95 117.38 109.00 1wm2 n GLN 51 Ca -0.03 -1.69 -0.12 0.00 -1.94 0.00 0.00 57.00 53.22 1wm2 n GLN 51 Cb 0.73 -1.45 0.03 0.00 0.11 0.00 0.00 30.24 29.66 1wm2 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wm2 n GLY 52 N 1.32 0.11 3.49 1.08 0.00 -1.05 -5.04 105.19 105.10 1wm2 n GLY 52 Ca 0.17 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1wm2 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wm2 s LEU 53 N -4.05 2.67 -0.01 0.99 1.43 -0.55 -5.07 118.68 114.09 1wm2 s LEU 53 Ca 0.24 -0.98 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1wm2 s LEU 53 Cb -0.11 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1wm2 s LEU 53 CO 0.30 0.03 -0.05 -0.94 0.23 0.00 0.00 176.35 175.92 1wm2 s SER 54 N -3.53 4.75 0.30 2.29 1.04 -1.26 -4.38 113.70 112.90 1wm2 s SER 54 Ca 0.30 -0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.64 1wm2 s SER 54 Cb -0.05 -1.16 0.49 0.00 0.10 0.00 0.00 66.02 65.41 1wm2 s SER 54 CO 0.16 0.30 1.94 -0.03 0.98 0.00 0.00 173.24 176.59 1wm2 h MET 55 N 4.63 1.04 0.00 4.02 4.05 -1.94 -1.34 114.93 125.39 1wm2 h MET 55 Ca -0.49 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 1wm2 h MET 55 Cb 1.17 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 1wm2 h MET 55 CO 0.54 0.68 0.00 -0.09 0.23 0.00 0.00 176.91 178.28 1wm2 h ARG 56 N 1.07 0.00 -0.00 0.39 2.43 -2.03 -2.94 114.38 113.29 1wm2 h ARG 56 Ca 0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1wm2 h ARG 56 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1wm2 h ARG 56 CO -0.10 0.00 -0.83 0.00 -1.51 0.00 0.00 179.97 177.52 1wm2 n GLN 57 N -2.68 0.14 -4.40 0.20 10.64 -0.52 -4.86 117.38 115.90 1wm2 n GLN 57 Ca 0.01 -0.11 -0.23 0.00 -1.83 0.00 0.00 57.00 54.84 1wm2 n GLN 57 Cb 0.23 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.01 1wm2 n GLN 57 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1wm2 s ILE 58 N -2.94 2.15 -0.06 -0.39 -4.36 -1.11 0.33 121.20 114.84 1wm2 s ILE 58 Ca 0.10 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 1wm2 s ILE 58 Cb 0.17 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.79 1wm2 s ILE 58 CO 0.80 -0.34 -0.11 -0.13 0.24 0.00 0.00 174.94 175.39 1wm2 s ARG 59 N -3.15 1.52 -0.18 0.37 1.81 0.19 -4.89 118.95 114.62 1wm2 s ARG 59 Ca 0.23 -0.38 -0.08 0.00 -1.72 0.00 0.00 55.73 53.78 1wm2 s ARG 59 Cb -0.05 -1.29 -0.04 0.00 -0.45 0.00 0.00 34.95 33.12 1wm2 s ARG 59 CO 0.10 0.05 0.08 -0.06 -0.68 0.00 0.00 175.30 174.79 1wm2 s PHE 60 N 0.58 3.30 0.09 -0.53 0.40 -1.26 -1.25 117.98 119.31 1wm2 s PHE 60 Ca -0.12 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1wm2 s PHE 60 Cb -0.14 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1wm2 s PHE 60 CO 0.03 0.23 -0.10 1.03 0.70 0.00 0.00 175.22 177.11 1wm2 s ARG 61 N 0.23 0.82 -0.07 0.44 0.52 0.15 -1.72 118.95 119.32 1wm2 s ARG 61 Ca 0.05 -1.11 -0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1wm2 s ARG 61 Cb -0.12 -0.54 0.02 0.00 0.52 0.00 0.00 34.95 34.84 1wm2 s ARG 61 CO -0.00 0.09 -0.03 0.12 0.02 0.00 0.00 175.30 175.50 1wm2 s PHE 62 N -2.25 0.81 -1.58 -0.53 5.99 0.18 -0.82 117.98 119.78 1wm2 s PHE 62 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 56.93 56.57 1wm2 s PHE 62 Cb -0.04 -0.80 0.10 0.00 0.00 0.00 0.00 43.02 42.28 1wm2 s PHE 62 CO 0.00 -0.30 0.79 -3.47 -0.00 0.00 0.00 175.22 172.24 1wm2 n ASP 63 N 4.65 -3.18 0.00 6.13 4.64 -1.26 -1.57 116.55 125.96 1wm2 n ASP 63 Ca -0.15 -0.93 0.00 0.00 -1.38 0.00 0.00 54.79 52.33 1wm2 n ASP 63 Cb 0.50 -3.23 0.00 0.00 -1.04 0.00 0.00 41.12 37.35 1wm2 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wm2 n GLY 64 N -1.60 2.87 3.87 0.27 0.00 -1.26 -5.02 105.19 104.32 1wm2 n GLY 64 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1wm2 n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wm2 s GLN 65 N -0.05 3.55 0.57 1.61 -0.21 -0.61 -5.03 119.66 119.49 1wm2 s GLN 65 Ca 0.00 -0.04 -0.19 0.00 0.02 0.00 0.00 55.36 55.15 1wm2 s GLN 65 Cb 0.00 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.76 1wm2 s GLN 65 CO 0.00 0.75 1.16 -1.25 -2.12 0.00 0.00 175.29 173.82 1wm2 s PRO 66 N -0.98 3.17 -0.20 2.91 0.04 -1.26 -0.65 135.00 138.03 1wm2 s PRO 66 Ca 0.16 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1wm2 s PRO 66 Cb -0.13 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1wm2 s PRO 66 CO 0.05 -1.01 0.34 0.42 0.04 0.00 0.00 177.00 176.84 1wm2 s ILE 67 N -1.74 5.24 0.42 0.56 1.01 -0.70 -4.81 121.20 121.18 1wm2 s ILE 67 Ca 0.74 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 1wm2 s ILE 67 Cb -0.26 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1wm2 s ILE 67 CO 0.30 0.29 0.69 0.20 0.00 0.00 0.00 174.94 176.42 1wm2 s ASN 68 N 0.96 6.31 0.25 3.58 0.01 -1.26 -4.89 114.94 119.90 1wm2 s ASN 68 Ca 0.17 0.78 -0.07 0.00 -0.71 0.00 0.00 52.86 53.03 1wm2 s ASN 68 Cb -0.14 -2.18 0.44 0.00 0.41 0.00 0.00 41.25 39.78 1wm2 s ASN 68 CO 0.07 -0.44 1.62 -0.08 -1.51 0.00 0.00 177.10 176.75 1wm2 h GLU 69 N 0.59 0.06 -0.64 -0.60 4.81 -1.98 -1.65 114.58 115.18 1wm2 h GLU 69 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wm2 h GLU 69 Cb 1.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1wm2 h GLU 69 CO 0.62 0.04 0.00 0.25 -0.73 0.00 0.00 179.01 179.19 1wm2 n THR 70 N -5.41 0.85 -2.23 0.32 -2.24 -1.26 -1.93 114.28 102.38 1wm2 n THR 70 Ca 0.14 -0.87 -0.40 0.00 -2.27 0.00 0.00 64.05 60.65 1wm2 n THR 70 Cb 0.48 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 1wm2 n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wm2 s ASP 71 N -1.03 6.80 0.28 3.42 -0.00 -0.62 -4.74 116.67 120.77 1wm2 s ASP 71 Ca 0.44 2.52 0.11 0.00 -0.00 0.00 0.00 52.55 55.62 1wm2 s ASP 71 Cb 0.23 -2.64 -0.05 0.00 -0.00 0.00 0.00 42.92 40.46 1wm2 s ASP 71 CO 0.30 -0.50 -0.12 0.42 -0.00 0.00 0.00 175.17 175.27 1wm2 s THR 72 N -1.21 2.85 0.27 -1.27 -4.23 -1.26 -0.03 115.64 110.75 1wm2 s THR 72 Ca 0.50 -2.22 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1wm2 s THR 72 Cb -0.36 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.23 1wm2 s THR 72 CO 0.47 -0.39 1.83 -0.65 -0.54 0.00 0.00 174.62 175.34 1wm2 h PRO 73 N 2.12 0.90 -0.52 3.99 0.11 -1.68 -0.75 132.00 136.17 1wm2 h PRO 73 Ca -0.42 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1wm2 h PRO 73 Cb 1.26 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1wm2 h PRO 73 CO 0.60 0.60 0.16 0.00 -0.21 0.00 0.00 178.00 179.15 1wm2 h ALA 74 N 1.50 0.68 -0.40 -0.75 0.00 -1.33 0.09 119.26 119.05 1wm2 h ALA 74 Ca 0.46 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1wm2 h ALA 74 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1wm2 h ALA 74 CO -0.26 0.34 0.08 0.37 0.00 0.00 0.00 179.25 179.78 1wm2 h GLN 75 N 0.71 0.59 -0.09 0.00 4.15 -1.63 -1.71 115.11 117.13 1wm2 h GLN 75 Ca 0.17 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1wm2 h GLN 75 Cb 0.28 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1wm2 h GLN 75 CO -0.00 0.56 0.00 1.28 -1.93 0.00 0.00 178.83 178.73 1wm2 n LEU 76 N -4.31 1.08 -2.84 -2.39 4.77 -0.35 -4.90 117.00 108.06 1wm2 n LEU 76 Ca 0.02 -0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 55.36 1wm2 n LEU 76 Cb 0.20 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1wm2 n LEU 76 CO 0.38 0.22 0.03 -0.62 -1.33 0.00 0.00 177.39 176.07 1wm2 n GLU 77 N -0.09 -4.86 -1.86 3.23 1.02 -0.64 -4.99 120.64 112.45 1wm2 n GLU 77 Ca 0.17 0.83 -0.33 0.00 -0.02 0.00 0.00 57.16 57.80 1wm2 n GLU 77 Cb 0.25 -5.54 0.03 0.00 -0.02 0.00 0.00 31.44 26.16 1wm2 n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wm2 s MET 78 N -5.68 2.99 0.25 3.49 -1.94 -0.06 -5.03 119.30 113.33 1wm2 s MET 78 Ca 0.31 1.32 0.11 0.00 -1.71 0.00 0.00 55.69 55.72 1wm2 s MET 78 Cb -0.14 -1.98 -0.05 0.00 2.01 0.00 0.00 34.83 34.67 1wm2 s MET 78 CO 0.38 -1.09 -0.19 -1.21 -0.01 0.00 0.00 175.02 172.91 1wm2 s GLU 79 N -4.09 1.58 0.31 2.03 0.41 -1.26 -4.76 118.70 112.91 1wm2 s GLU 79 Ca 0.66 -1.70 -0.28 0.00 -0.41 0.00 0.00 54.97 53.24 1wm2 s GLU 79 Cb -0.19 -1.62 -0.13 0.00 -1.78 0.00 0.00 34.13 30.41 1wm2 s GLU 79 CO 0.40 0.30 1.18 -3.47 -0.49 0.00 0.00 175.26 173.18 1wm2 n ASP 80 N -0.45 2.11 -0.90 -0.19 2.03 -1.26 -1.64 116.55 116.24 1wm2 n ASP 80 Ca -0.07 1.19 -0.12 0.00 0.52 0.00 0.00 54.79 56.31 1wm2 n ASP 80 Cb 0.60 -1.39 -0.05 0.00 -0.72 0.00 0.00 41.12 39.56 1wm2 n ASP 80 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wm2 n GLU 81 N 0.79 -0.95 -1.39 -0.67 -0.58 0.53 -4.95 120.64 113.42 1wm2 n GLU 81 Ca 0.08 0.90 -0.30 0.00 -0.42 0.00 0.00 57.16 57.41 1wm2 n GLU 81 Cb 0.34 -4.94 0.09 0.00 -0.57 0.00 0.00 31.44 26.36 1wm2 n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1wm2 s ASP 82 N -2.77 4.44 -0.10 1.62 1.01 -0.65 -4.70 116.67 115.51 1wm2 s ASP 82 Ca 0.00 1.55 0.01 0.00 0.71 0.00 0.00 52.55 54.83 1wm2 s ASP 82 Cb 0.00 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 1wm2 s ASP 82 CO 0.00 -2.04 -0.15 -0.89 0.21 0.00 0.00 175.17 172.30 1wm2 s THR 83 N -3.01 2.91 -0.16 -1.27 2.01 -1.26 -1.17 115.64 113.69 1wm2 s THR 83 Ca 0.61 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.79 1wm2 s THR 83 Cb -0.16 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1wm2 s THR 83 CO 0.56 0.55 0.14 -0.63 -0.69 0.00 0.00 174.62 174.54 1wm2 s ILE 84 N 0.07 5.44 -0.02 1.82 1.01 0.76 -4.69 121.20 125.58 1wm2 s ILE 84 Ca -0.06 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 1wm2 s ILE 84 Cb -0.15 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1wm2 s ILE 84 CO 0.05 0.51 0.38 -1.81 0.00 0.00 0.00 174.94 174.07 1wm2 s ASP 85 N -0.21 6.75 -0.10 3.58 1.11 0.00 -0.58 116.67 127.22 1wm2 s ASP 85 Ca 0.11 0.89 0.03 0.00 0.18 0.00 0.00 52.55 53.77 1wm2 s ASP 85 Cb -0.12 -2.23 -0.00 0.00 1.07 0.00 0.00 42.92 41.64 1wm2 s ASP 85 CO 0.01 0.32 -0.22 -0.69 1.18 0.00 0.00 175.17 175.77 1wm2 s VAL 86 N -0.97 2.29 0.01 -1.27 1.01 -0.53 -0.68 120.40 120.27 1wm2 s VAL 86 Ca 0.23 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1wm2 s VAL 86 Cb -0.16 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1wm2 s VAL 86 CO 0.12 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.20 1wm2 s PHE 87 N 0.30 2.48 -0.06 5.22 0.40 -0.38 -2.01 117.98 123.92 1wm2 s PHE 87 Ca -0.16 -0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 55.73 1wm2 s PHE 87 Cb -0.17 -1.48 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 1wm2 s PHE 87 CO 0.08 0.15 0.33 -0.65 0.70 0.00 0.00 175.22 175.83 1wm2 s GLN 88 N -1.10 3.87 0.00 0.44 -0.21 -1.26 -0.64 119.66 120.76 1wm2 s GLN 88 Ca 0.12 0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.82 1wm2 s GLN 88 Cb -0.10 -3.25 0.06 0.00 1.00 0.00 0.00 33.01 30.72 1wm2 s GLN 88 CO 0.02 0.62 0.75 1.04 -2.12 0.00 0.00 175.29 175.61