#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg s VAL 2 N 0.00 2.27 0.17 3.17 0.11 -1.26 -2.08 120.40 122.77 2wdg s VAL 2 Ca 0.00 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2wdg s VAL 2 Cb 0.00 -3.11 -0.00 0.00 -1.53 0.00 0.00 36.38 31.73 2wdg s VAL 2 CO 0.00 0.01 0.01 0.29 -3.33 0.00 0.00 175.10 172.09 2wdg n LYS 3 N 4.06 1.36 -3.61 1.54 5.02 0.33 -3.57 118.16 123.29 2wdg n LYS 3 Ca 0.15 -1.27 -0.24 0.00 -2.02 0.00 0.00 58.31 54.94 2wdg n LYS 3 Cb 0.36 0.43 -0.17 0.00 -0.02 0.00 0.00 35.03 35.64 2wdg n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wdg s ILE 4 N -1.76 -0.12 0.20 -0.18 1.01 -1.14 -1.00 121.20 118.20 2wdg s ILE 4 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2wdg s ILE 4 Cb 0.00 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 2wdg s ILE 4 CO 0.01 -0.17 0.25 -2.11 0.00 0.00 0.00 174.94 172.93 2wdg n ARG 5 N 5.29 0.36 -3.52 2.79 1.85 0.26 -1.14 116.66 122.55 2wdg n ARG 5 Ca -0.06 -1.72 -0.38 0.00 -1.00 0.00 0.00 57.85 54.70 2wdg n ARG 5 Cb 0.49 1.58 -0.09 0.00 -1.05 0.00 0.00 32.46 33.39 2wdg n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wdg s LEU 6 N 0.00 4.10 -0.24 2.89 1.02 -1.26 -0.43 118.68 124.75 2wdg s LEU 6 Ca 0.19 0.24 -0.06 0.00 0.02 0.00 0.00 54.13 54.52 2wdg s LEU 6 Cb -0.00 -2.28 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 2wdg s LEU 6 CO 0.13 -0.04 0.03 0.00 0.02 0.00 0.00 176.35 176.49 2wdg s ALA 7 N 1.44 3.02 0.74 4.21 0.00 -1.14 -4.91 121.76 125.12 2wdg s ALA 7 Ca 0.12 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 2wdg s ALA 7 Cb -0.15 -1.94 0.04 0.00 0.00 0.00 0.00 23.12 21.08 2wdg s ALA 7 CO 0.07 -0.50 1.16 0.50 0.00 0.00 0.00 175.76 176.99 2wdg s ARG 8 N 1.55 2.21 0.00 0.00 3.52 -1.26 -1.46 118.95 123.51 2wdg s ARG 8 Ca 0.06 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.21 2wdg s ARG 8 Cb -0.15 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 2wdg s ARG 8 CO 0.01 -1.74 0.00 1.19 -0.81 0.00 0.00 175.30 173.95 2wdg n PHE 9 N -2.91 -0.47 -4.13 5.12 3.72 -0.63 -4.86 117.46 113.29 2wdg n PHE 9 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2wdg n PHE 9 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2wdg n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdg n GLY 10 N 0.00 -0.14 2.78 1.37 0.00 -1.26 -2.89 105.19 105.05 2wdg n GLY 10 Ca 0.00 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 2wdg n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wdg n SER 11 N 0.75 2.76 -4.65 1.61 7.64 -1.25 -4.97 113.62 115.51 2wdg n SER 11 Ca 0.00 -2.57 -0.43 0.00 1.01 0.00 0.00 58.87 56.88 2wdg n SER 11 Cb 0.00 0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 2wdg n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wdg s LYS 12 N -3.50 4.06 -0.37 1.43 2.20 -1.26 -1.96 119.74 120.34 2wdg s LYS 12 Ca 0.09 1.67 -0.00 0.00 -0.36 0.00 0.00 55.97 57.37 2wdg s LYS 12 Cb -0.01 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2wdg s LYS 12 CO 0.06 -0.95 0.04 0.72 -0.36 0.00 0.00 175.35 174.87 2wdg n HIS 13 N 7.31 -0.28 -2.72 4.03 8.25 -1.26 -4.93 115.22 125.61 2wdg n HIS 13 Ca 0.16 0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.65 2wdg n HIS 13 Cb 0.45 -1.68 0.07 0.00 1.12 0.00 0.00 29.99 29.94 2wdg n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wdg n ASN 14 N 1.03 0.45 -4.31 0.41 5.15 -0.83 -5.11 115.26 112.05 2wdg n ASN 14 Ca -0.04 -2.08 -0.56 0.00 -0.60 0.00 0.00 54.58 51.30 2wdg n ASN 14 Cb 0.54 -0.06 -0.12 0.00 -0.53 0.00 0.00 39.78 39.61 2wdg n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wdg n PRO 15 N -0.80 0.13 -3.90 1.20 -0.02 -1.25 -3.77 135.00 126.59 2wdg n PRO 15 Ca -0.03 0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 2wdg n PRO 15 Cb 0.85 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 32.55 2wdg n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wdg s HIS 16 N 6.70 2.94 1.03 6.00 3.76 -1.14 -3.97 115.29 130.61 2wdg s HIS 16 Ca 1.21 -2.58 -0.16 0.00 -0.15 0.00 0.00 55.06 53.38 2wdg s HIS 16 Cb -1.38 -2.46 0.21 0.00 1.11 0.00 0.00 32.58 30.07 2wdg s HIS 16 CO 0.61 -0.90 1.21 0.71 -0.85 0.00 0.00 174.74 175.52 2wdg s TYR 17 N 0.98 1.44 -0.27 1.40 1.51 -0.78 -1.60 117.35 120.02 2wdg s TYR 17 Ca 0.12 0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.66 2wdg s TYR 17 Cb -0.19 -3.74 0.13 0.00 -0.11 0.00 0.00 41.96 38.05 2wdg s TYR 17 CO -0.12 -2.99 0.30 0.50 -1.11 0.00 0.00 175.55 172.13 2wdg s ARG 18 N -5.60 0.31 0.08 -0.62 3.52 -0.53 -2.96 118.95 113.14 2wdg s ARG 18 Ca 0.71 0.02 -0.34 0.00 -0.13 0.00 0.00 55.73 55.98 2wdg s ARG 18 Cb -0.08 -0.71 -0.14 0.00 -1.56 0.00 0.00 34.95 32.47 2wdg s ARG 18 CO 0.54 -0.92 1.63 -0.89 -0.81 0.00 0.00 175.30 174.85 2wdg n ILE 19 N 5.32 0.14 -3.72 4.11 2.08 0.20 -2.88 119.36 124.62 2wdg n ILE 19 Ca -0.03 -0.03 -0.14 0.00 0.56 0.00 0.00 62.75 63.12 2wdg n ILE 19 Cb 0.48 -1.52 -0.09 0.00 -0.75 0.00 0.00 39.64 37.76 2wdg n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wdg s VAL 20 N 1.68 0.03 0.05 1.39 0.11 0.42 -2.36 120.40 121.72 2wdg s VAL 20 Ca 0.83 -0.25 -0.18 0.00 -2.93 0.00 0.00 61.98 59.45 2wdg s VAL 20 Cb -0.73 -0.65 -0.06 0.00 -1.53 0.00 0.00 36.38 33.41 2wdg s VAL 20 CO 0.43 -0.14 0.53 0.54 -3.33 0.00 0.00 175.10 173.13 2wdg s VAL 21 N -0.77 4.83 0.16 2.04 0.11 -0.65 -0.57 120.40 125.55 2wdg s VAL 21 Ca -0.09 1.13 -0.23 0.00 -2.93 0.00 0.00 61.98 59.86 2wdg s VAL 21 Cb -0.04 -3.86 0.08 0.00 -1.53 0.00 0.00 36.38 31.03 2wdg s VAL 21 CO 0.04 0.55 1.05 0.28 -3.33 0.00 0.00 175.10 173.68 2wdg s THR 22 N -0.99 0.00 -0.13 5.04 -1.32 -0.17 -2.09 115.64 115.98 2wdg s THR 22 Ca 0.28 -0.57 -0.23 0.00 -1.21 0.00 0.00 61.69 59.97 2wdg s THR 22 Cb -0.19 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.10 2wdg s THR 22 CO 0.17 0.00 0.68 -0.62 -2.21 0.00 0.00 174.62 172.65 2wdg s ASP 23 N -3.31 6.87 0.37 8.08 -1.08 -1.26 0.12 116.67 126.46 2wdg s ASP 23 Ca 0.20 1.05 0.19 0.00 -0.52 0.00 0.00 52.55 53.47 2wdg s ASP 23 Cb -0.02 -2.39 1.18 0.00 -1.46 0.00 0.00 42.92 40.23 2wdg s ASP 23 CO 0.04 -0.20 1.66 0.00 0.52 0.00 0.00 175.17 177.19 2wdg h ALA 24 N 7.07 2.16 0.00 3.66 0.00 -1.75 -0.65 119.26 129.74 2wdg h ALA 24 Ca -0.36 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wdg h ALA 24 Cb 1.17 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2wdg h ALA 24 CO 0.77 -0.77 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2wdg n ARG 25 N -4.95 0.08 -1.49 0.00 1.74 -1.26 -4.83 116.66 105.96 2wdg n ARG 25 Ca 0.33 0.27 -0.29 0.00 -0.77 0.00 0.00 57.85 57.38 2wdg n ARG 25 Cb 1.09 -1.63 0.12 0.00 -1.02 0.00 0.00 32.46 31.02 2wdg n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdg s ARG 26 N -3.10 1.49 0.60 5.56 0.52 -0.25 -5.02 118.95 118.74 2wdg s ARG 26 Ca 0.07 0.50 -0.14 0.00 -0.52 0.00 0.00 55.73 55.65 2wdg s ARG 26 Cb 0.11 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 2wdg s ARG 26 CO 0.36 -2.00 1.03 -1.59 0.02 0.00 0.00 175.30 173.12 2wdg s LYS 27 N -5.17 3.51 0.01 3.54 -2.85 -1.26 -4.98 119.74 112.54 2wdg s LYS 27 Ca 0.63 0.95 -0.01 0.00 -1.00 0.00 0.00 55.97 56.54 2wdg s LYS 27 Cb -0.15 -2.07 -0.00 0.00 -2.06 0.00 0.00 37.83 33.55 2wdg s LYS 27 CO 0.54 -0.64 1.02 -0.09 0.10 0.00 0.00 175.35 176.29 2wdg h ARG 28 N 0.15 -0.01 -1.86 1.78 2.43 -1.95 -2.41 114.38 112.52 2wdg h ARG 28 Ca -0.45 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.33 2wdg h ARG 28 Cb 1.20 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.61 2wdg h ARG 28 CO 0.60 -0.01 0.28 -0.25 -1.51 0.00 0.00 179.97 179.08 2wdg n ASP 29 N -2.92 6.26 -1.88 -3.80 10.43 -1.26 -4.81 116.55 118.57 2wdg n ASP 29 Ca -0.00 -3.03 0.00 0.00 2.57 0.00 0.00 54.79 54.33 2wdg n ASP 29 Cb 0.01 -1.20 0.00 0.00 1.84 0.00 0.00 41.12 41.77 2wdg n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wdg n GLY 30 N 0.97 2.09 3.73 0.44 0.00 -0.91 -5.04 105.19 106.47 2wdg n GLY 30 Ca 0.40 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2wdg n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdg s LYS 31 N -1.72 4.33 0.18 1.61 2.20 -1.26 -5.00 119.74 120.07 2wdg s LYS 31 Ca 0.00 2.15 0.09 0.00 -0.36 0.00 0.00 55.97 57.86 2wdg s LYS 31 Cb 0.00 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 2wdg s LYS 31 CO 0.00 -0.37 -0.14 1.52 -0.36 0.00 0.00 175.35 176.01 2wdg s TYR 32 N 0.36 2.55 0.23 4.03 1.13 -1.26 -4.91 117.35 119.48 2wdg s TYR 32 Ca 0.60 -0.26 -0.08 0.00 -1.41 0.00 0.00 57.07 55.92 2wdg s TYR 32 Cb -0.39 -1.26 0.23 0.00 -1.10 0.00 0.00 41.96 39.45 2wdg s TYR 32 CO 0.37 0.49 1.88 0.82 -2.51 0.00 0.00 175.55 176.60 2wdg h ILE 33 N 2.95 1.14 -1.43 -3.49 1.08 -1.79 -3.46 117.51 112.52 2wdg h ILE 33 Ca -0.47 -0.36 0.11 0.00 -0.39 0.00 0.00 64.86 63.75 2wdg h ILE 33 Cb 1.20 0.01 -0.27 0.00 -3.07 0.00 0.00 36.82 34.69 2wdg h ILE 33 CO 0.52 0.19 0.62 -0.70 -0.69 0.00 0.00 178.15 178.08 2wdg s GLU 34 N -6.11 0.39 -0.01 2.37 2.12 -1.18 -5.03 118.70 111.26 2wdg s GLU 34 Ca -0.13 0.32 -0.17 0.00 0.36 0.00 0.00 54.97 55.35 2wdg s GLU 34 Cb 0.17 0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.69 2wdg s GLU 34 CO 0.79 -0.08 0.48 0.21 -0.54 0.00 0.00 175.26 176.12 2wdg s LYS 35 N -0.27 4.12 0.00 4.30 2.20 -1.26 -1.64 119.74 127.20 2wdg s LYS 35 Ca 0.03 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2wdg s LYS 35 Cb -0.03 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2wdg s LYS 35 CO -0.06 0.54 0.00 0.44 -0.36 0.00 0.00 175.35 175.90 2wdg n ILE 36 N 2.26 0.00 -0.77 5.43 -5.35 -1.00 -4.97 119.36 114.96 2wdg n ILE 36 Ca -0.11 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2wdg n ILE 36 Cb 0.52 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 2wdg n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdg n GLY 37 N 0.98 -1.26 3.20 3.28 0.00 -1.14 0.31 105.19 110.55 2wdg n GLY 37 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 2wdg n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wdg s TYR 38 N -2.25 1.12 -0.30 1.61 -0.85 -1.05 0.60 117.35 116.24 2wdg s TYR 38 Ca 0.00 -1.36 -0.09 0.00 -0.52 0.00 0.00 57.07 55.10 2wdg s TYR 38 Cb 0.00 -0.54 0.14 0.00 0.38 0.00 0.00 41.96 41.94 2wdg s TYR 38 CO 0.00 -0.63 0.66 -0.47 -1.52 0.00 0.00 175.55 173.58 2wdg s TYR 39 N -4.15 -1.36 -0.58 -3.49 5.04 -1.16 -2.50 117.35 109.16 2wdg s TYR 39 Ca 0.37 2.19 -0.19 0.00 -2.44 0.00 0.00 57.07 57.01 2wdg s TYR 39 Cb 0.07 0.76 0.10 0.00 0.35 0.00 0.00 41.96 43.23 2wdg s TYR 39 CO 0.11 -0.69 0.68 0.34 -1.34 0.00 0.00 175.55 174.65 2wdg s ASP 40 N 2.88 6.19 0.00 4.32 3.68 -0.43 -1.87 116.67 131.43 2wdg s ASP 40 Ca -0.02 -1.39 0.00 0.00 2.13 0.00 0.00 52.55 53.27 2wdg s ASP 40 Cb -0.12 -2.29 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 2wdg s ASP 40 CO -0.19 -1.07 0.59 -0.81 0.13 0.00 0.00 175.17 173.82 2wdg n PRO 41 N 6.24 0.00 -0.07 4.34 -0.04 -1.25 -1.34 135.00 142.88 2wdg n PRO 41 Ca -0.09 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2wdg n PRO 41 Cb 0.43 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.48 2wdg n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdg n ARG 42 N -1.09 2.05 -1.73 0.54 1.74 -1.26 -5.02 116.66 111.87 2wdg n ARG 42 Ca 0.00 -2.18 -0.08 0.00 -0.77 0.00 0.00 57.85 54.82 2wdg n ARG 42 Cb 0.00 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 2wdg n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdg n LYS 43 N -0.98 -0.40 -1.10 5.56 4.01 -0.45 -4.77 118.16 120.02 2wdg n LYS 43 Ca 0.10 0.28 -0.14 0.00 -0.51 0.00 0.00 58.31 58.05 2wdg n LYS 43 Cb 0.50 -0.44 0.16 0.00 -0.51 0.00 0.00 35.03 34.75 2wdg n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2wdg n THR 44 N -0.18 2.80 0.00 -0.18 -2.24 -1.26 -4.95 114.28 108.27 2wdg n THR 44 Ca -0.03 -2.83 0.00 0.00 -2.27 0.00 0.00 64.05 58.92 2wdg n THR 44 Cb 0.15 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2wdg n THR 44 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2wdg n THR 45 N -1.05 0.00 -0.24 4.28 5.66 -1.26 -5.05 114.28 116.61 2wdg n THR 45 Ca 0.43 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.43 2wdg n THR 45 Cb 1.09 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 70.09 2wdg n THR 45 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2wdg h PRO 46 N 0.00 1.05 -2.78 1.09 0.13 -2.03 -3.24 132.00 126.23 2wdg h PRO 46 Ca 0.00 -0.07 -0.80 0.00 -0.87 0.00 0.00 66.00 64.26 2wdg h PRO 46 Cb 0.00 -0.23 -0.25 0.00 0.13 0.00 0.00 31.00 30.65 2wdg h PRO 46 CO 0.00 0.71 1.15 -0.25 -0.23 0.00 0.00 178.00 179.38 2wdg n ASP 47 N -4.40 6.66 -1.58 1.44 8.00 -1.26 -4.70 116.55 120.70 2wdg n ASP 47 Ca 0.09 -3.43 0.07 0.00 0.71 0.00 0.00 54.79 52.23 2wdg n ASP 47 Cb 0.04 -1.28 0.34 0.00 -0.02 0.00 0.00 41.12 40.20 2wdg n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2wdg n TRP 48 N 1.28 1.57 -3.15 1.24 4.27 -1.23 -4.78 117.44 116.64 2wdg n TRP 48 Ca 0.37 -0.58 0.05 0.00 -3.89 0.00 0.00 57.50 53.45 2wdg n TRP 48 Cb 0.31 -0.33 -0.01 0.00 -1.36 0.00 0.00 31.31 29.92 2wdg n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2wdg s LEU 49 N -2.02 -0.58 0.10 5.67 2.96 -1.26 -1.31 118.68 122.24 2wdg s LEU 49 Ca 0.47 0.20 0.10 0.00 -0.22 0.00 0.00 54.13 54.67 2wdg s LEU 49 Cb 0.33 1.42 -0.04 0.00 0.50 0.00 0.00 46.19 48.40 2wdg s LEU 49 CO 0.19 -0.11 -0.25 -0.75 -1.32 0.00 0.00 176.35 174.11 2wdg s LYS 50 N 2.94 1.42 -0.16 1.98 2.36 -1.04 -5.00 119.74 122.24 2wdg s LYS 50 Ca 0.13 -1.24 -0.05 0.00 -2.55 0.00 0.00 55.97 52.27 2wdg s LYS 50 Cb -0.07 -1.78 0.08 0.00 -1.05 0.00 0.00 37.83 35.01 2wdg s LYS 50 CO -0.18 0.43 0.30 0.08 1.55 0.00 0.00 175.35 177.54 2wdg s VAL 51 N -1.01 -0.48 -0.99 4.02 1.01 -1.26 -2.51 120.40 119.18 2wdg s VAL 51 Ca 0.12 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 2wdg s VAL 51 Cb -0.10 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2wdg s VAL 51 CO 0.05 0.07 1.66 -0.62 0.00 0.00 0.00 175.10 176.26 2wdg s ASP 52 N 2.47 5.95 0.24 3.32 3.68 0.15 -4.82 116.67 127.65 2wdg s ASP 52 Ca 0.02 -1.19 -0.05 0.00 2.13 0.00 0.00 52.55 53.46 2wdg s ASP 52 Cb -0.13 -2.57 0.36 0.00 -1.45 0.00 0.00 42.92 39.14 2wdg s ASP 52 CO -0.10 -2.02 1.82 -0.37 0.13 0.00 0.00 175.17 174.63 2wdg h VAL 53 N 6.92 0.96 -1.15 1.11 -1.51 -1.94 -1.78 116.25 118.86 2wdg h VAL 53 Ca 0.17 -0.29 0.32 0.00 -1.23 0.00 0.00 66.70 65.67 2wdg h VAL 53 Cb 1.00 0.04 -0.09 0.00 -2.13 0.00 0.00 31.29 30.11 2wdg h VAL 53 CO 1.34 0.15 0.77 -0.33 -1.23 0.00 0.00 177.57 178.27 2wdg h GLU 54 N 0.85 0.22 0.00 5.19 4.39 -2.00 -1.51 114.58 121.72 2wdg h GLU 54 Ca 0.38 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.86 2wdg h GLU 54 Cb 0.28 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2wdg h GLU 54 CO -0.22 0.15 -1.22 0.54 -1.16 0.00 0.00 179.01 177.10 2wdg n ARG 55 N -4.51 0.55 -0.48 2.33 5.12 -0.82 -3.82 116.66 115.03 2wdg n ARG 55 Ca 0.28 0.56 0.41 0.00 -1.93 0.00 0.00 57.85 57.17 2wdg n ARG 55 Cb 1.10 -1.73 0.74 0.00 -1.16 0.00 0.00 32.46 31.41 2wdg n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdg h ALA 56 N -0.57 3.24 0.04 7.54 0.00 -0.85 1.53 119.26 130.19 2wdg h ALA 56 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wdg h ALA 56 Cb 1.23 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wdg h ALA 56 CO -0.20 -1.72 -0.02 0.00 0.00 0.00 0.00 179.25 177.32 2wdg h ARG 57 N 0.05 -0.05 0.00 0.00 2.47 -1.45 -3.15 114.38 112.25 2wdg h ARG 57 Ca 0.75 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.47 2wdg h ARG 57 Cb 2.79 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 31.12 2wdg h ARG 57 CO -0.11 0.39 0.00 0.98 0.56 0.00 0.00 179.97 181.79 2wdg n TYR 58 N -4.90 0.00 0.11 3.04 4.19 0.52 -0.52 117.16 119.61 2wdg n TYR 58 Ca -0.08 0.00 0.17 0.00 3.31 0.00 0.00 57.90 61.29 2wdg n TYR 58 Cb 0.24 -0.45 0.49 0.00 0.49 0.00 0.00 39.34 40.11 2wdg n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 2wdg h TRP 59 N 0.00 0.00 0.08 2.98 4.06 -1.49 1.62 115.95 123.21 2wdg h TRP 59 Ca 0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.64 2wdg h TRP 59 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 2wdg h TRP 59 CO -0.38 0.00 -1.67 -0.07 -3.56 0.00 0.00 178.44 172.76 2wdg h LEU 60 N 0.00 0.28 -2.01 -4.49 3.38 -1.32 -3.03 115.31 108.11 2wdg h LEU 60 Ca 0.19 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2wdg h LEU 60 Cb 1.75 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2wdg h LEU 60 CO -0.00 1.41 0.10 0.77 0.09 0.00 0.00 178.44 180.81 2wdg h SER 61 N 0.05 0.00 -0.08 -0.43 4.64 0.50 0.27 113.55 118.50 2wdg h SER 61 Ca -0.29 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 2wdg h SER 61 Cb 2.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.06 2wdg h SER 61 CO 0.12 0.00 -0.52 1.33 -0.87 0.00 0.00 176.83 176.89 2wdg n VAL 62 N -2.63 2.25 -2.61 0.95 0.24 -1.00 -5.05 118.33 110.47 2wdg n VAL 62 Ca -0.02 -3.33 -0.05 0.00 -2.04 0.00 0.00 64.34 58.90 2wdg n VAL 62 Cb 0.15 -0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.15 2wdg n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdg n GLY 63 N -1.08 -4.88 2.37 7.63 0.00 0.96 -5.03 105.19 105.16 2wdg n GLY 63 Ca 0.22 1.50 -0.16 0.00 0.00 0.00 0.00 46.02 47.58 2wdg n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg n ALA 64 N 1.82 1.09 -1.36 4.61 0.00 -1.15 -4.74 120.51 120.78 2wdg n ALA 64 Ca -0.35 -2.74 -0.53 0.00 0.00 0.00 0.00 53.44 49.82 2wdg n ALA 64 Cb 0.54 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 2wdg n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wdg n GLN 65 N 0.71 0.00 -3.96 0.00 1.13 -1.23 -3.97 117.38 110.06 2wdg n GLN 65 Ca 0.18 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.99 2wdg n GLN 65 Cb 0.64 -1.23 -0.03 0.00 0.11 0.00 0.00 30.24 29.73 2wdg n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2wdg s PRO 66 N 1.59 3.40 1.13 -1.09 0.04 -1.26 -2.91 135.00 135.90 2wdg s PRO 66 Ca 0.82 -0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.03 2wdg s PRO 66 Cb -1.16 -2.92 0.15 0.00 0.04 0.00 0.00 34.50 30.61 2wdg s PRO 66 CO 0.60 0.49 0.29 2.41 0.04 0.00 0.00 177.00 180.83 2wdg n THR 67 N -0.78 0.00 0.25 1.26 -1.04 -0.30 -4.72 114.28 108.96 2wdg n THR 67 Ca -0.08 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.05 61.49 2wdg n THR 67 Cb 0.55 -0.71 -0.05 0.00 -1.82 0.00 0.00 70.33 68.30 2wdg n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wdg h ASP 68 N -2.23 -0.59 0.01 8.00 3.32 -1.98 -2.54 116.42 120.41 2wdg h ASP 68 Ca -0.56 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2wdg h ASP 68 Cb 1.35 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2wdg h ASP 68 CO 0.41 -0.18 0.00 1.07 -1.72 0.00 0.00 179.24 178.82 2wdg n THR 69 N -5.24 0.13 -0.08 0.35 5.66 -1.26 -2.51 114.28 111.33 2wdg n THR 69 Ca -0.09 0.03 -0.09 0.00 -3.05 0.00 0.00 64.05 60.86 2wdg n THR 69 Cb 0.28 -0.94 -0.04 0.00 -1.55 0.00 0.00 70.33 68.08 2wdg n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wdg h ALA 70 N 2.35 0.07 -0.18 1.79 0.00 -1.83 -3.38 119.26 118.08 2wdg h ALA 70 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 54.91 54.30 2wdg h ALA 70 Cb 0.01 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wdg h ALA 70 CO 0.00 0.54 0.14 0.07 0.00 0.00 0.00 179.25 180.00 2wdg h ARG 71 N -1.00 0.00 -0.71 0.00 0.11 -1.15 -1.13 114.38 110.50 2wdg h ARG 71 Ca -0.09 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.12 2wdg h ARG 71 Cb 0.69 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.68 2wdg h ARG 71 CO -0.05 0.00 0.27 -0.09 0.10 0.00 0.00 179.97 180.20 2wdg h ARG 72 N 0.00 0.41 0.00 0.08 2.43 -1.67 1.29 114.38 116.93 2wdg h ARG 72 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2wdg h ARG 72 Cb 0.37 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2wdg h ARG 72 CO -0.00 0.27 0.00 -0.07 -1.51 0.00 0.00 179.97 178.66 2wdg h LEU 73 N 0.42 0.00 0.14 3.80 3.38 -1.38 -0.30 115.31 121.37 2wdg h LEU 73 Ca 0.38 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.07 2wdg h LEU 73 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wdg h LEU 73 CO -0.38 0.00 -1.41 -0.07 0.09 0.00 0.00 178.44 176.67 2wdg h LEU 74 N 0.00 0.45 -0.00 1.67 3.38 0.30 -2.90 115.31 118.21 2wdg h LEU 74 Ca 0.00 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 57.09 2wdg h LEU 74 Cb 0.65 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2wdg h LEU 74 CO 0.00 1.63 0.00 -0.09 0.09 0.00 0.00 178.44 180.07 2wdg h ARG 75 N -0.22 0.01 0.00 1.13 2.43 0.14 -0.17 114.38 117.69 2wdg h ARG 75 Ca -0.29 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2wdg h ARG 75 Cb 1.82 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 2wdg h ARG 75 CO 0.10 0.23 0.00 0.94 -1.51 0.00 0.00 179.97 179.72 2wdg n GLN 76 N -4.98 0.21 -0.07 0.20 7.27 -0.13 0.14 117.38 120.02 2wdg n GLN 76 Ca -0.08 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.08 2wdg n GLN 76 Cb 0.13 -1.43 0.12 0.00 2.41 0.00 0.00 30.24 31.46 2wdg n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdg n ALA 77 N -0.93 2.22 -3.82 1.69 0.00 -0.22 -5.00 120.51 114.44 2wdg n ALA 77 Ca 0.04 -2.37 -0.33 0.00 0.00 0.00 0.00 53.44 50.78 2wdg n ALA 77 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 19.45 19.15 2wdg n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdg n GLY 78 N -1.28 -1.05 0.06 0.00 0.00 0.37 -4.87 105.19 98.41 2wdg n GLY 78 Ca 0.13 0.46 -0.03 0.00 0.00 0.00 0.00 46.02 46.58 2wdg n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdg n VAL 79 N -3.87 0.75 0.22 1.61 0.31 -0.34 -4.19 118.33 112.83 2wdg n VAL 79 Ca -0.16 -0.55 0.06 0.00 -0.01 0.00 0.00 64.34 63.68 2wdg n VAL 79 Cb 0.61 -0.43 0.23 0.00 -0.91 0.00 0.00 33.84 33.34 2wdg n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wdg n PHE 80 N -2.42 0.90 -1.67 3.52 3.01 -1.26 -4.88 117.46 114.67 2wdg n PHE 80 Ca -0.18 -0.37 -0.29 0.00 1.01 0.00 0.00 57.45 57.61 2wdg n PHE 80 Cb 0.83 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 40.26 2wdg n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2wdg s ARG 81 N -1.67 1.77 0.00 -1.08 3.52 -1.26 -5.00 118.95 115.24 2wdg s ARG 81 Ca 0.33 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 2wdg s ARG 81 Cb 0.20 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 2wdg s ARG 81 CO 0.17 -1.78 0.00 0.00 -0.81 0.00 0.00 175.30 172.88 2wdg n GLN 82 N -3.49 0.05 0.00 5.12 0.00 -1.26 -5.05 117.38 112.75 2wdg n GLN 82 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.07 2wdg n GLN 82 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 30.24 30.77 2wdg n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wdg n GLU 83 N -0.46 0.00 0.00 2.61 -0.58 -1.26 -5.27 120.64 115.67 2wdg n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdg n GLU 83 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wdg n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65