#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcl s GLU 3 N 0.00 1.12 -0.02 7.34 2.12 -1.26 -5.12 118.70 122.88 2dcl s GLU 3 Ca 0.00 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.90 2dcl s GLU 3 Cb 0.00 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 2dcl s GLU 3 CO 0.00 -0.48 0.00 0.08 -0.54 0.00 0.00 175.26 174.32 2dcl s VAL 4 N 1.73 4.19 0.04 3.70 1.01 -1.26 -4.83 120.40 124.98 2dcl s VAL 4 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 61.98 61.12 2dcl s VAL 4 Cb -0.16 -2.85 -0.18 0.00 0.00 0.00 0.00 36.38 33.19 2dcl s VAL 4 CO -0.07 0.42 1.40 -0.08 0.00 0.00 0.00 175.10 176.77 2dcl h GLU 5 N 4.49 -1.10 -5.71 2.72 4.81 -1.38 -3.47 114.58 114.93 2dcl h GLU 5 Ca -0.49 0.08 -0.55 0.00 -0.13 0.00 0.00 59.36 58.26 2dcl h GLU 5 Cb 1.18 0.25 -0.14 0.00 0.63 0.00 0.00 28.75 30.67 2dcl h GLU 5 CO 0.57 -0.73 -0.68 -1.01 -0.73 0.00 0.00 179.01 176.43 2dcl s HIS 6 N -5.50 2.16 -0.07 0.92 3.76 -1.25 -5.10 115.29 110.21 2dcl s HIS 6 Ca -0.17 -0.60 -0.14 0.00 -0.15 0.00 0.00 55.06 53.99 2dcl s HIS 6 Cb 0.02 -1.23 -0.05 0.00 1.11 0.00 0.00 32.58 32.43 2dcl s HIS 6 CO 0.54 0.42 0.36 -1.58 -0.85 0.00 0.00 174.74 173.64 2dcl s TRP 7 N -2.82 3.62 -0.83 1.40 0.51 -1.26 -4.63 118.94 114.93 2dcl s TRP 7 Ca 0.31 0.84 -0.02 0.00 -2.12 0.00 0.00 56.10 55.11 2dcl s TRP 7 Cb 0.03 -2.30 0.00 0.00 -0.81 0.00 0.00 33.47 30.39 2dcl s TRP 7 CO 0.14 0.49 0.62 -1.71 -0.51 0.00 0.00 176.95 175.99 2dcl n ASN 8 N 2.50 -5.23 -4.94 2.95 5.15 -1.26 -4.70 115.26 109.73 2dcl n ASN 8 Ca -0.13 -0.86 -0.26 0.00 -0.60 0.00 0.00 54.58 52.73 2dcl n ASN 8 Cb 0.52 -2.19 -0.03 0.00 -0.53 0.00 0.00 39.78 37.55 2dcl n ASN 8 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2dcl s THR 9 N -3.02 5.24 0.05 -0.44 -4.23 -1.26 -2.33 115.64 109.66 2dcl s THR 9 Ca 0.03 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 2dcl s THR 9 Cb -0.01 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 2dcl s THR 9 CO 0.88 -0.18 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.96 2dcl s LEU 10 N -3.40 2.34 -0.30 4.79 1.43 -0.10 -2.61 118.68 120.83 2dcl s LEU 10 Ca 0.37 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2dcl s LEU 10 Cb -0.11 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.08 2dcl s LEU 10 CO 0.29 -0.33 0.07 -0.60 0.23 0.00 0.00 176.35 176.02 2dcl s ARG 11 N -2.35 2.93 -0.08 1.70 3.52 -0.06 -2.11 118.95 122.49 2dcl s ARG 11 Ca -0.04 -0.96 -0.16 0.00 -0.13 0.00 0.00 55.73 54.44 2dcl s ARG 11 Cb -0.04 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 2dcl s ARG 11 CO -0.02 -0.50 0.40 -1.17 -0.81 0.00 0.00 175.30 173.20 2dcl s LEU 12 N 1.45 4.35 -0.09 -0.88 2.96 0.15 -2.78 118.68 123.84 2dcl s LEU 12 Ca 0.01 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 2dcl s LEU 12 Cb -0.18 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 43.96 2dcl s LEU 12 CO 0.02 0.15 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.97 2dcl s ARG 13 N -0.07 1.60 -0.16 1.98 0.52 0.43 -1.17 118.95 122.06 2dcl s ARG 13 Ca 0.23 -0.33 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 2dcl s ARG 13 Cb -0.15 -1.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.81 2dcl s ARG 13 CO 0.10 -0.13 -0.08 0.42 0.02 0.00 0.00 175.30 175.62 2dcl s ILE 14 N 1.21 3.31 -0.14 1.52 1.01 -0.51 -0.31 121.20 127.30 2dcl s ILE 14 Ca -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 2dcl s ILE 14 Cb -0.14 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2dcl s ILE 14 CO -0.03 0.49 -0.11 -0.31 0.00 0.00 0.00 174.94 174.97 2dcl s TYR 15 N 0.73 2.85 0.37 3.97 1.51 0.15 -1.37 117.35 125.55 2dcl s TYR 15 Ca -0.04 -0.60 -0.05 0.00 -1.01 0.00 0.00 57.07 55.37 2dcl s TYR 15 Cb -0.15 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.85 2dcl s TYR 15 CO 0.02 -0.19 0.57 0.96 -1.11 0.00 0.00 175.55 175.79 2dcl s ILE 16 N 0.38 0.00 -0.00 2.71 -4.36 -0.91 -2.09 121.20 116.93 2dcl s ILE 16 Ca -0.10 -1.44 -0.11 0.00 -0.26 0.00 0.00 60.65 58.75 2dcl s ILE 16 Cb -0.16 -2.74 -0.05 0.00 1.25 0.00 0.00 42.46 40.76 2dcl s ILE 16 CO 0.05 0.00 0.33 -0.83 0.24 0.00 0.00 174.94 174.73 2dcl s GLY 17 N -3.21 2.35 0.44 6.27 0.00 -1.26 -1.35 107.32 110.56 2dcl s GLY 17 Ca 0.27 -0.40 0.15 0.00 0.00 0.00 0.00 44.72 44.74 2dcl s GLY 17 CO 0.19 -0.12 1.97 -2.09 0.00 0.00 0.00 173.10 173.05 2dcl h GLU 18 N 4.38 0.35 -0.12 2.90 4.81 -0.96 -0.49 114.58 125.45 2dcl h GLU 18 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2dcl h GLU 18 Cb 1.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2dcl h GLU 18 CO 0.63 0.23 0.00 0.09 -0.73 0.00 0.00 179.01 179.23 2dcl n ASN 19 N -4.46 1.56 -4.76 1.04 3.02 -1.26 -4.87 115.26 105.52 2dcl n ASN 19 Ca 0.10 -1.64 -0.37 0.00 -0.03 0.00 0.00 54.58 52.64 2dcl n ASN 19 Cb 0.42 -0.08 0.01 0.00 -0.61 0.00 0.00 39.78 39.52 2dcl n ASN 19 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dcl s ASP 20 N -1.67 5.89 0.12 6.41 1.11 -0.20 -4.96 116.67 123.37 2dcl s ASP 20 Ca 0.34 2.44 0.02 0.00 0.18 0.00 0.00 52.55 55.53 2dcl s ASP 20 Cb 0.18 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 2dcl s ASP 20 CO 0.28 -1.12 -0.05 -0.54 1.18 0.00 0.00 175.17 174.92 2dcl s LYS 21 N -2.77 0.90 -0.25 8.23 1.02 -1.26 -1.73 119.74 123.88 2dcl s LYS 21 Ca 0.66 -1.38 -0.02 0.00 0.02 0.00 0.00 55.97 55.25 2dcl s LYS 21 Cb -0.32 -0.22 0.12 0.00 -0.52 0.00 0.00 37.83 36.88 2dcl s LYS 21 CO 0.38 -0.04 0.25 -0.46 -0.92 0.00 0.00 175.35 174.57 2dcl s TRP 22 N -3.63 -0.33 -1.01 3.18 -0.11 -0.12 -4.72 118.94 112.20 2dcl s TRP 22 Ca 0.15 -0.04 -0.04 0.00 1.22 0.00 0.00 56.10 57.39 2dcl s TRP 22 Cb 0.05 -0.44 0.00 0.00 -1.50 0.00 0.00 33.47 31.59 2dcl s TRP 22 CO -0.03 -0.78 0.87 0.39 -4.62 0.00 0.00 176.95 172.78 2dcl n GLU 23 N 5.31 -5.81 -0.86 5.86 1.02 -1.26 -2.82 120.64 122.08 2dcl n GLU 23 Ca -0.04 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 2dcl n GLU 23 Cb 0.47 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.72 2dcl n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dcl n GLY 24 N -1.42 0.85 3.61 0.62 0.00 -1.26 -5.02 105.19 102.58 2dcl n GLY 24 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 2dcl n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dcl s ARG 25 N -0.21 2.22 -0.22 1.61 0.52 -1.13 -5.06 118.95 116.69 2dcl s ARG 25 Ca 0.00 -1.15 -0.28 0.00 -0.52 0.00 0.00 55.73 53.77 2dcl s ARG 25 Cb 0.00 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 2dcl s ARG 25 CO 0.00 0.46 2.22 -2.30 0.02 0.00 0.00 175.30 175.70 2dcl n PRO 26 N 0.10 1.95 -0.32 3.54 -0.02 -1.26 -0.94 135.00 138.04 2dcl n PRO 26 Ca -0.11 0.53 0.20 0.00 -2.02 0.00 0.00 63.50 62.11 2dcl n PRO 26 Cb 0.55 -3.21 0.40 0.00 -0.02 0.00 0.00 33.50 31.22 2dcl n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2dcl h LEU 27 N 14.93 0.12 -0.65 2.45 5.85 -1.62 -0.87 115.31 135.52 2dcl h LEU 27 Ca -0.41 0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 2dcl h LEU 27 Cb 1.24 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 2dcl h LEU 27 CO 0.96 -0.25 -0.01 0.10 -0.34 0.00 0.00 178.44 178.91 2dcl h TYR 28 N 0.16 1.13 -0.54 1.25 -0.00 -1.88 0.66 116.97 117.75 2dcl h TYR 28 Ca 0.67 -0.19 -0.08 0.00 0.00 0.00 0.00 58.73 59.13 2dcl h TYR 28 Cb 1.53 -0.30 -0.02 0.00 0.00 0.00 0.00 36.73 37.94 2dcl h TYR 28 CO -0.18 1.00 0.04 0.87 -0.00 0.00 0.00 178.16 179.89 2dcl h LYS 29 N 0.95 0.90 -0.43 0.10 1.57 -1.57 0.54 116.57 118.62 2dcl h LYS 29 Ca 0.17 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2dcl h LYS 29 Cb 0.56 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2dcl h LYS 29 CO 0.03 0.87 0.18 0.28 -0.57 0.00 0.00 179.45 180.24 2dcl h VAL 30 N 0.84 1.20 -0.16 0.50 2.07 -0.79 -0.19 116.25 119.71 2dcl h VAL 30 Ca 0.16 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2dcl h VAL 30 Cb 0.45 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2dcl h VAL 30 CO 0.02 0.22 0.10 0.40 0.02 0.00 0.00 177.57 178.33 2dcl h ILE 31 N 0.55 1.07 -0.85 4.57 2.04 -0.42 -1.68 117.51 122.79 2dcl h ILE 31 Ca 0.14 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2dcl h ILE 31 Cb 0.18 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2dcl h ILE 31 CO -0.01 0.07 0.56 0.58 0.00 0.00 0.00 178.15 179.34 2dcl h VAL 32 N 0.19 1.20 -0.03 1.67 2.07 -0.69 -1.42 116.25 119.25 2dcl h VAL 32 Ca 0.06 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2dcl h VAL 32 Cb 0.02 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2dcl h VAL 32 CO -0.01 0.21 0.02 -0.08 0.02 0.00 0.00 177.57 177.72 2dcl h GLU 33 N 1.13 0.05 -0.66 1.57 4.81 -0.63 -1.99 114.58 118.86 2dcl h GLU 33 Ca 0.32 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 2dcl h GLU 33 Cb -0.10 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2dcl h GLU 33 CO -0.07 0.12 0.38 -0.22 -0.73 0.00 0.00 179.01 178.49 2dcl h LYS 34 N -0.05 0.91 -0.50 1.92 3.11 -0.96 -0.88 116.57 120.13 2dcl h LYS 34 Ca 0.01 -0.10 0.07 0.00 -2.81 0.00 0.00 60.65 57.82 2dcl h LYS 34 Cb 0.09 -0.18 -0.06 0.00 -1.00 0.00 0.00 32.23 31.08 2dcl h LYS 34 CO -0.00 0.67 0.18 -0.07 -2.81 0.00 0.00 179.45 177.42 2dcl h LEU 35 N 0.90 0.19 0.22 5.20 3.38 -1.11 0.74 115.31 124.82 2dcl h LEU 35 Ca 0.23 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2dcl h LEU 35 Cb 0.01 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2dcl h LEU 35 CO -0.04 0.13 -0.10 -0.09 0.09 0.00 0.00 178.44 178.43 2dcl h ARG 36 N 0.36 -0.28 -0.73 1.13 2.43 -0.92 -1.77 114.38 114.59 2dcl h ARG 36 Ca 0.24 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.54 2dcl h ARG 36 Cb 0.25 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 2dcl h ARG 36 CO -0.24 -0.17 0.34 0.93 -1.51 0.00 0.00 179.97 179.33 2dcl h GLU 37 N -0.32 0.54 0.00 0.20 5.08 -0.62 0.24 114.58 119.70 2dcl h GLU 37 Ca -0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dcl h GLU 37 Cb 0.24 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2dcl h GLU 37 CO 0.05 0.36 -0.01 0.52 -1.00 0.00 0.00 179.01 178.93 2dcl h MET 38 N 0.56 0.00 0.00 2.33 2.86 -0.67 -3.46 114.93 116.54 2dcl h MET 38 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2dcl h MET 38 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2dcl h MET 38 CO -0.31 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.08 2dcl n GLY 39 N -0.55 1.09 3.77 8.32 0.00 0.07 -5.05 105.19 112.83 2dcl n GLY 39 Ca -0.01 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2dcl n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dcl s ILE 40 N -2.00 2.41 0.41 -0.61 1.09 -0.70 -4.91 121.20 116.88 2dcl s ILE 40 Ca 0.00 0.37 0.20 0.00 -1.10 0.00 0.00 60.65 60.12 2dcl s ILE 40 Cb 0.00 -3.22 0.40 0.00 -1.06 0.00 0.00 42.46 38.58 2dcl s ILE 40 CO 0.00 0.06 1.76 0.00 -0.10 0.00 0.00 174.94 176.66 2dcl h ALA 41 N 2.62 2.30 0.00 9.38 0.00 -1.90 -3.46 119.26 128.19 2dcl h ALA 41 Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dcl h ALA 41 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dcl h ALA 41 CO 0.62 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 179.56 2dcl n GLY 42 N -1.48 -1.82 3.60 0.00 0.00 -1.26 -5.07 105.19 99.15 2dcl n GLY 42 Ca 0.26 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 2dcl n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcl s ALA 43 N -1.78 -1.99 -0.02 4.61 0.00 -1.26 -4.35 121.76 116.98 2dcl s ALA 43 Ca 0.00 1.68 0.02 0.00 0.00 0.00 0.00 51.96 53.66 2dcl s ALA 43 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2dcl s ALA 43 CO 0.00 -0.29 -0.07 0.99 0.00 0.00 0.00 175.76 176.39 2dcl s THR 44 N -1.09 0.65 -0.13 0.00 2.01 0.03 -4.97 115.64 112.14 2dcl s THR 44 Ca 0.01 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2dcl s THR 44 Cb -0.01 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 2dcl s THR 44 CO -0.01 0.21 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.28 2dcl s VAL 45 N 0.16 2.78 0.20 3.82 1.01 -1.26 0.11 120.40 127.22 2dcl s VAL 45 Ca -0.02 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.29 2dcl s VAL 45 Cb -0.07 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2dcl s VAL 45 CO 0.00 0.53 -0.04 -0.31 0.00 0.00 0.00 175.10 175.28 2dcl s TYR 46 N 0.49 2.71 -0.13 5.22 1.51 0.10 -4.94 117.35 122.31 2dcl s TYR 46 Ca -0.11 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2dcl s TYR 46 Cb -0.16 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 2dcl s TYR 46 CO 0.05 0.54 -0.16 0.50 -1.11 0.00 0.00 175.55 175.37 2dcl s ARG 47 N -3.10 2.39 0.74 -0.62 3.52 -1.26 -0.52 118.95 120.10 2dcl s ARG 47 Ca 0.27 -0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 55.21 2dcl s ARG 47 Cb -0.08 -2.07 0.11 0.00 -1.56 0.00 0.00 34.95 31.34 2dcl s ARG 47 CO 0.17 -0.13 1.04 0.20 -0.81 0.00 0.00 175.30 175.77 2dcl s GLY 48 N 1.17 1.75 -0.00 8.12 0.00 0.29 -4.99 107.32 113.66 2dcl s GLY 48 Ca -0.02 -1.29 0.20 0.00 0.00 0.00 0.00 44.72 43.61 2dcl s GLY 48 CO -0.06 -0.78 0.85 0.29 0.00 0.00 0.00 173.10 173.41 2dcl n ILE 49 N -2.98 0.00 -3.55 0.90 -5.35 -1.26 -4.28 119.36 102.83 2dcl n ILE 49 Ca 0.12 -0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.47 2dcl n ILE 49 Cb 0.60 0.99 -0.04 0.00 -1.74 0.00 0.00 39.64 39.46 2dcl n ILE 49 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2dcl s TYR 50 N -2.90 -0.35 -0.20 4.28 5.04 -1.26 -4.94 117.35 117.03 2dcl s TYR 50 Ca 0.07 0.46 -0.34 0.00 -2.44 0.00 0.00 57.07 54.82 2dcl s TYR 50 Cb 0.15 0.48 0.14 0.00 0.35 0.00 0.00 41.96 43.09 2dcl s TYR 50 CO 0.82 -0.40 1.21 0.20 -1.34 0.00 0.00 175.55 176.04 2dcl s GLY 51 N -1.64 -0.25 -0.01 8.97 0.00 -1.26 -4.74 107.32 108.39 2dcl s GLY 51 Ca 0.01 1.76 -0.23 0.00 0.00 0.00 0.00 44.72 46.26 2dcl s GLY 51 CO -0.02 0.62 0.50 -0.11 0.00 0.00 0.00 173.10 174.10 2dcl s PHE 52 N -2.19 -0.42 0.00 1.90 -0.12 -1.26 -4.95 117.98 110.94 2dcl s PHE 52 Ca 0.09 0.62 0.00 0.00 -0.05 0.00 0.00 56.93 57.59 2dcl s PHE 52 Cb -0.01 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.66 2dcl s PHE 52 CO -0.05 -0.55 0.00 0.41 -0.05 0.00 0.00 175.22 174.99 2dcl n GLY 53 N 0.86 3.49 0.13 1.99 0.00 -1.26 -5.21 105.19 105.18 2dcl n GLY 53 Ca -0.20 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 2dcl n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dcl h LYS 54 N 0.00 0.37 -4.42 1.61 3.64 -1.96 -3.55 116.57 112.26 2dcl h LYS 54 Ca 0.00 -0.63 -0.74 0.00 -1.27 0.00 0.00 60.65 58.01 2dcl h LYS 54 Cb 0.00 0.23 -0.22 0.00 -0.41 0.00 0.00 32.23 31.83 2dcl h LYS 54 CO 0.00 1.27 0.44 0.96 -2.27 0.00 0.00 179.45 179.85 2dcl s ILE 64 N -2.60 5.17 -0.03 2.00 -4.36 -1.26 -5.18 121.20 114.95 2dcl s ILE 64 Ca -0.12 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.24 2dcl s ILE 64 Cb 0.06 -4.62 0.02 0.00 1.25 0.00 0.00 42.46 39.17 2dcl s ILE 64 CO 0.87 -1.26 0.08 -0.60 0.24 0.00 0.00 174.94 174.27 2dcl s ARG 65 N 1.43 0.05 0.45 0.37 3.52 -1.26 -5.14 118.95 118.37 2dcl s ARG 65 Ca 0.25 0.18 -0.25 0.00 -0.13 0.00 0.00 55.73 55.78 2dcl s ARG 65 Cb -0.08 -0.09 -0.09 0.00 -1.56 0.00 0.00 34.95 33.14 2dcl s ARG 65 CO -0.09 -0.09 1.34 1.28 -0.81 0.00 0.00 175.30 176.94 2dcl n LEU 66 N 3.61 4.62 0.10 -0.88 4.77 -1.26 -4.88 117.00 123.08 2dcl n LEU 66 Ca -0.20 1.10 0.12 0.00 -0.03 0.00 0.00 56.01 57.00 2dcl n LEU 66 Cb 0.55 -1.55 0.45 0.00 -2.33 0.00 0.00 43.42 40.55 2dcl n LEU 66 CO 0.22 -0.46 0.86 -1.54 -1.33 0.00 0.00 177.39 175.14 2dcl n SER 67 N -0.08 0.58 -0.58 -1.43 3.41 -1.26 -1.82 113.62 112.43 2dcl n SER 67 Ca 0.06 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2dcl n SER 67 Cb 0.41 -0.74 0.40 0.00 -0.26 0.00 0.00 64.21 64.02 2dcl n SER 67 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dcl n THR 68 N -2.10 0.00 -2.73 6.66 -2.24 -1.26 -4.70 114.28 107.91 2dcl n THR 68 Ca 0.04 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 2dcl n THR 68 Cb 0.29 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2dcl n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dcl s ASP 69 N -2.04 6.56 0.57 3.42 3.68 -0.76 -5.00 116.67 123.11 2dcl s ASP 69 Ca 0.34 -1.74 -0.20 0.00 2.13 0.00 0.00 52.55 53.08 2dcl s ASP 69 Cb 0.21 -2.49 -0.05 0.00 -1.45 0.00 0.00 42.92 39.14 2dcl s ASP 69 CO 0.34 -1.30 1.16 0.18 0.13 0.00 0.00 175.17 175.68 2dcl n LEU 70 N 7.78 4.58 -4.77 -1.34 4.77 -1.26 -4.60 117.00 122.15 2dcl n LEU 70 Ca 0.29 0.89 -0.38 0.00 -0.03 0.00 0.00 56.01 56.78 2dcl n LEU 70 Cb 0.50 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2dcl n LEU 70 CO 0.59 -1.25 0.78 -2.84 -1.33 0.00 0.00 177.39 173.34 2dcl s PRO 71 N -2.82 4.19 -0.10 3.23 0.02 -1.26 -0.37 135.00 137.88 2dcl s PRO 71 Ca 0.74 1.67 0.01 0.00 0.02 0.00 0.00 61.00 63.44 2dcl s PRO 71 Cb -0.43 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.44 2dcl s PRO 71 CO 0.48 -0.16 -0.10 0.42 -0.33 0.00 0.00 177.00 177.31 2dcl s ILE 72 N -1.50 1.12 -0.19 2.83 -1.09 -0.46 -0.55 121.20 121.37 2dcl s ILE 72 Ca 0.56 -0.38 -0.02 0.00 -2.23 0.00 0.00 60.65 58.57 2dcl s ILE 72 Cb -0.27 -1.09 -0.01 0.00 -1.58 0.00 0.00 42.46 39.52 2dcl s ILE 72 CO 0.33 0.37 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.70 2dcl s ILE 73 N 1.35 3.13 -0.31 2.92 1.09 0.32 -2.14 121.20 127.57 2dcl s ILE 73 Ca -0.01 -0.59 -0.10 0.00 -1.10 0.00 0.00 60.65 58.84 2dcl s ILE 73 Cb -0.14 -2.38 -0.02 0.00 -1.06 0.00 0.00 42.46 38.87 2dcl s ILE 73 CO -0.05 0.47 0.16 -0.69 -0.10 0.00 0.00 174.94 174.74 2dcl s VAL 74 N 1.07 4.79 -0.16 2.92 1.01 -0.47 0.02 120.40 129.57 2dcl s VAL 74 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2dcl s VAL 74 Cb -0.15 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2dcl s VAL 74 CO -0.02 0.11 -0.03 -0.70 0.00 0.00 0.00 175.10 174.46 2dcl s GLU 75 N 1.65 3.67 -0.06 2.72 2.12 0.12 -1.42 118.70 127.50 2dcl s GLU 75 Ca 0.05 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2dcl s GLU 75 Cb -0.17 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.29 2dcl s GLU 75 CO 0.07 0.21 -0.14 0.08 -0.54 0.00 0.00 175.26 174.95 2dcl s VAL 76 N 0.44 1.25 -0.19 3.70 1.01 -0.32 -0.79 120.40 125.50 2dcl s VAL 76 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2dcl s VAL 76 Cb -0.14 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.14 2dcl s VAL 76 CO 0.03 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.63 2dcl s VAL 77 N 0.48 2.08 0.33 2.92 1.01 -1.26 0.32 120.40 126.29 2dcl s VAL 77 Ca -0.12 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 2dcl s VAL 77 Cb -0.15 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.37 2dcl s VAL 77 CO 0.04 0.46 0.84 -0.62 0.00 0.00 0.00 175.10 175.82 2dcl s ASP 78 N 1.26 -0.02 0.69 3.32 -1.08 -0.90 -4.44 116.67 115.51 2dcl s ASP 78 Ca 0.03 -0.98 -0.16 0.00 -0.52 0.00 0.00 52.55 50.92 2dcl s ASP 78 Cb -0.14 0.76 0.02 0.00 -1.46 0.00 0.00 42.92 42.10 2dcl s ASP 78 CO -0.12 -1.49 1.18 -0.60 0.52 0.00 0.00 175.17 174.66 2dcl s ARG 79 N -2.43 2.42 0.15 4.34 3.52 -1.26 -0.93 118.95 124.76 2dcl s ARG 79 Ca 0.16 1.68 -0.24 0.00 -0.13 0.00 0.00 55.73 57.20 2dcl s ARG 79 Cb -0.05 -1.87 0.02 0.00 -1.56 0.00 0.00 34.95 31.49 2dcl s ARG 79 CO 0.09 -1.61 1.60 0.78 -0.81 0.00 0.00 175.30 175.36 2dcl h GLY 80 N -0.04 -0.35 1.04 8.12 0.00 -1.74 -2.12 103.07 107.97 2dcl h GLY 80 Ca -0.48 0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.32 2dcl h GLY 80 CO 0.51 -0.21 0.51 0.84 0.00 0.00 0.00 176.54 178.20 2dcl h HIS 81 N -0.32 0.89 -0.68 5.60 6.17 -1.93 -0.33 115.15 124.55 2dcl h HIS 81 Ca 0.14 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.20 2dcl h HIS 81 Cb 0.54 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 30.15 2dcl h HIS 81 CO -0.49 0.49 0.28 -0.91 0.71 0.00 0.00 177.93 178.02 2dcl h ASN 82 N 0.90 0.93 -0.12 3.26 4.21 -1.78 -0.33 115.58 122.65 2dcl h ASN 82 Ca 0.33 -0.16 -0.14 0.00 1.21 0.00 0.00 56.30 57.53 2dcl h ASN 82 Cb 0.15 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 2dcl h ASN 82 CO -0.11 0.84 -0.39 0.40 -1.29 0.00 0.00 177.43 176.88 2dcl h ILE 83 N 0.97 1.29 0.20 2.81 1.08 -0.85 -0.05 117.51 122.96 2dcl h ILE 83 Ca 0.23 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 2dcl h ILE 83 Cb 0.19 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 2dcl h ILE 83 CO -0.02 0.50 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.69 2dcl h GLU 84 N 0.53 -0.37 -0.86 2.37 4.81 -0.68 -0.28 114.58 120.10 2dcl h GLU 84 Ca 0.05 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2dcl h GLU 84 Cb 0.91 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.32 2dcl h GLU 84 CO 0.08 -0.24 0.54 0.87 -0.73 0.00 0.00 179.01 179.53 2dcl h LYS 85 N -0.38 1.00 0.45 1.92 1.57 -0.77 -1.06 116.57 119.29 2dcl h LYS 85 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2dcl h LYS 85 Cb 0.35 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2dcl h LYS 85 CO -0.02 0.66 -0.22 0.28 -0.57 0.00 0.00 179.45 179.58 2dcl h VAL 86 N 1.03 0.56 -0.79 0.50 2.07 -0.48 -2.47 116.25 116.66 2dcl h VAL 86 Ca 0.36 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.94 2dcl h VAL 86 Cb 0.08 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2dcl h VAL 86 CO -0.14 0.01 0.52 0.58 0.02 0.00 0.00 177.57 178.55 2dcl h VAL 87 N -0.63 0.93 -0.23 2.57 2.07 -0.79 0.21 116.25 120.37 2dcl h VAL 87 Ca -0.06 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2dcl h VAL 87 Cb 0.48 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2dcl h VAL 87 CO 0.10 0.13 0.05 -1.13 0.02 0.00 0.00 177.57 176.74 2dcl h ASN 88 N 0.70 0.30 0.60 0.57 -0.00 -0.78 -2.67 115.58 114.30 2dcl h ASN 88 Ca 0.37 -0.03 -0.28 0.00 -0.00 0.00 0.00 56.30 56.36 2dcl h ASN 88 Cb 0.49 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.70 2dcl h ASN 88 CO -0.14 0.31 -1.46 0.58 -0.00 0.00 0.00 177.43 176.72 2dcl h VAL 89 N 0.33 1.18 -0.01 2.57 2.07 -0.55 -3.39 116.25 118.46 2dcl h VAL 89 Ca 0.08 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.68 2dcl h VAL 89 Cb 0.14 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2dcl h VAL 89 CO -0.00 0.75 -0.72 2.30 0.02 0.00 0.00 177.57 179.92 2dcl n ILE 90 N -3.29 0.00 -0.14 4.57 -5.35 -0.79 -4.43 119.36 109.93 2dcl n ILE 90 Ca -0.13 -0.14 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 2dcl n ILE 90 Cb 1.02 1.12 0.04 0.00 -1.74 0.00 0.00 39.64 40.07 2dcl n ILE 90 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2dcl h LYS 91 N 1.13 0.05 -0.07 6.28 1.57 -1.67 -0.90 116.57 122.96 2dcl h LYS 91 Ca 0.00 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2dcl h LYS 91 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2dcl h LYS 91 CO 0.00 0.03 0.18 -1.35 -0.57 0.00 0.00 179.45 177.75 2dcl h PRO 92 N 0.05 0.00 0.00 3.15 0.11 -1.86 -1.97 132.00 131.49 2dcl h PRO 92 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2dcl h PRO 92 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2dcl h PRO 92 CO -0.42 0.00 -1.02 -1.33 -0.21 0.00 0.00 178.00 175.02 2dcl n MET 93 N -3.29 0.17 -3.07 1.05 2.81 -0.37 -4.82 117.12 109.61 2dcl n MET 93 Ca -0.01 -0.02 -0.44 0.00 -1.81 0.00 0.00 57.70 55.42 2dcl n MET 93 Cb 0.26 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.18 2dcl n MET 93 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2dcl s ILE 94 N -3.12 4.74 -0.22 2.02 -1.09 -0.74 -5.01 121.20 117.77 2dcl s ILE 94 Ca 0.05 -0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 57.81 2dcl s ILE 94 Cb 0.15 -4.45 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2dcl s ILE 94 CO 0.82 -1.05 -0.01 -0.54 -1.23 0.00 0.00 174.94 172.93 2dcl s LYS 95 N 2.95 3.49 -1.35 2.79 1.02 -1.26 -4.60 119.74 122.77 2dcl s LYS 95 Ca 0.16 -0.57 -0.05 0.00 0.02 0.00 0.00 55.97 55.53 2dcl s LYS 95 Cb -0.20 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2dcl s LYS 95 CO 0.10 -0.14 0.90 -0.25 -0.92 0.00 0.00 175.35 175.04 2dcl n ASP 96 N 4.67 -2.99 0.00 2.83 9.92 -1.26 -4.97 116.55 124.75 2dcl n ASP 96 Ca -0.18 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.36 2dcl n ASP 96 Cb 0.51 -4.37 0.00 0.00 -0.64 0.00 0.00 41.12 36.62 2dcl n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dcl n GLY 97 N -1.58 5.32 3.62 0.44 0.00 -1.26 -4.95 105.19 106.77 2dcl n GLY 97 Ca -0.17 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 2dcl n GLY 97 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dcl s MET 98 N 4.60 0.56 -0.08 1.61 1.75 -0.89 -4.97 119.30 121.88 2dcl s MET 98 Ca 0.00 0.49 0.01 0.00 -1.25 0.00 0.00 55.69 54.94 2dcl s MET 98 Cb 0.00 0.27 0.02 0.00 2.84 0.00 0.00 34.83 37.96 2dcl s MET 98 CO 0.00 -0.10 -0.11 0.42 -0.65 0.00 0.00 175.02 174.58 2dcl s ILE 99 N -0.16 1.12 0.19 10.11 1.01 -1.26 0.32 121.20 132.53 2dcl s ILE 99 Ca 0.01 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.32 2dcl s ILE 99 Cb -0.04 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 2dcl s ILE 99 CO -0.03 0.36 -0.16 0.42 0.00 0.00 0.00 174.94 175.53 2dcl s THR 100 N 1.01 1.79 -0.07 2.92 -4.23 0.58 -4.96 115.64 112.68 2dcl s THR 100 Ca -0.08 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.15 2dcl s THR 100 Cb -0.15 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.75 2dcl s THR 100 CO -0.00 -0.50 0.38 0.54 -0.54 0.00 0.00 174.62 174.50 2dcl s VAL 101 N -2.64 0.03 -0.11 2.29 0.11 -1.26 -0.43 120.40 118.39 2dcl s VAL 101 Ca 0.20 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 2dcl s VAL 101 Cb -0.03 -0.63 0.11 0.00 -1.53 0.00 0.00 36.38 34.30 2dcl s VAL 101 CO 0.07 -0.14 0.90 -1.83 -3.33 0.00 0.00 175.10 170.77 2dcl s GLU 102 N -0.74 0.74 0.92 1.54 1.03 -1.12 -4.98 118.70 116.10 2dcl s GLU 102 Ca -0.08 0.12 -0.10 0.00 0.03 0.00 0.00 54.97 54.93 2dcl s GLU 102 Cb -0.04 0.35 0.15 0.00 -0.80 0.00 0.00 34.13 33.79 2dcl s GLU 102 CO 0.03 -0.24 1.13 -2.14 -1.33 0.00 0.00 175.26 172.71 2dcl s PRO 103 N -1.37 0.98 0.01 -4.83 0.02 -1.26 -0.88 135.00 127.67 2dcl s PRO 103 Ca -0.03 1.42 -0.28 0.00 0.02 0.00 0.00 61.00 62.13 2dcl s PRO 103 Cb -0.00 -1.73 0.09 0.00 0.02 0.00 0.00 34.50 32.87 2dcl s PRO 103 CO 0.02 -2.61 0.78 -0.08 -0.33 0.00 0.00 177.00 174.78 2dcl s THR 104 N -2.67 0.00 -0.18 0.99 -1.32 -1.07 -4.68 115.64 106.71 2dcl s THR 104 Ca 0.66 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 61.09 2dcl s THR 104 Cb -0.22 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.74 2dcl s THR 104 CO 0.58 0.00 0.01 -0.63 -2.21 0.00 0.00 174.62 172.37 2dcl s ILE 105 N -2.56 4.20 -0.26 5.08 1.01 -1.26 -4.06 121.20 123.35 2dcl s ILE 105 Ca -0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2dcl s ILE 105 Cb -0.01 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2dcl s ILE 105 CO -0.04 0.46 0.15 0.54 0.00 0.00 0.00 174.94 176.05 2dcl s VAL 106 N 0.56 5.06 -2.08 2.92 0.11 -1.26 -5.06 120.40 120.64 2dcl s VAL 106 Ca -0.00 0.08 0.31 0.00 -2.93 0.00 0.00 61.98 59.44 2dcl s VAL 106 Cb -0.14 -3.38 0.85 0.00 -1.53 0.00 0.00 36.38 32.18 2dcl s VAL 106 CO 0.02 0.30 2.15 0.18 -3.33 0.00 0.00 175.10 174.42