#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2raq s LYS 4 N 0.00 1.37 4.64 0.00 0.00 -1.24 -3.95 119.74 120.55 2raq s LYS 4 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 55.97 55.21 2raq s LYS 4 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 37.83 38.37 2raq s LYS 4 CO 0.00 -0.59 0.00 0.41 0.00 0.00 0.00 175.35 175.17 2raq n GLY 5 N -0.35 2.71 3.71 0.59 0.00 -1.26 -0.62 105.19 109.97 2raq n GLY 5 Ca -0.12 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2raq n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2raq s LEU 6 N 0.00 4.33 -0.06 0.99 1.43 -1.26 -0.38 118.68 123.73 2raq s LEU 6 Ca 0.00 1.34 0.11 0.00 -1.03 0.00 0.00 54.13 54.55 2raq s LEU 6 Cb 0.00 -3.25 -0.16 0.00 0.03 0.00 0.00 46.19 42.81 2raq s LEU 6 CO 0.00 -0.17 0.16 2.30 0.23 0.00 0.00 176.35 178.86 2raq n ILE 7 N 3.85 0.36 -3.83 -0.59 -5.35 -0.58 -2.04 119.36 111.18 2raq n ILE 7 Ca 0.01 -0.37 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 2raq n ILE 7 Cb 0.51 -0.22 -0.13 0.00 -1.74 0.00 0.00 39.64 38.06 2raq n ILE 7 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2raq s ARG 8 N -2.57 0.10 -0.02 6.28 3.52 -1.18 0.10 118.95 125.18 2raq s ARG 8 Ca -0.05 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 2raq s ARG 8 Cb 0.06 0.03 0.02 0.00 -1.56 0.00 0.00 34.95 33.49 2raq s ARG 8 CO 0.48 -0.02 -0.00 0.42 -0.81 0.00 0.00 175.30 175.37 2raq s ILE 9 N 0.12 0.13 -0.21 4.11 1.01 0.10 -1.05 121.20 125.43 2raq s ILE 9 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2raq s ILE 9 Cb -0.01 -0.19 0.05 0.00 0.01 0.00 0.00 42.46 42.32 2raq s ILE 9 CO -0.00 0.09 -0.06 -0.69 0.00 0.00 0.00 174.94 174.28 2raq s VAL 10 N 0.57 1.41 0.06 2.92 1.01 0.29 -0.13 120.40 126.52 2raq s VAL 10 Ca -0.05 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2raq s VAL 10 Cb -0.08 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2raq s VAL 10 CO -0.01 0.02 -0.19 -1.48 0.00 0.00 0.00 175.10 173.44 2raq s LEU 11 N 1.48 2.20 -0.23 3.92 0.05 -0.36 0.12 118.68 125.86 2raq s LEU 11 Ca -0.03 -0.54 -0.12 0.00 0.05 0.00 0.00 54.13 53.49 2raq s LEU 11 Cb -0.17 -0.84 -0.05 0.00 -2.05 0.00 0.00 46.19 43.08 2raq s LEU 11 CO -0.07 0.10 0.24 1.51 -0.55 0.00 0.00 176.35 177.57 2raq s ASP 12 N -1.34 6.22 0.13 1.48 -4.77 0.76 -1.47 116.67 117.68 2raq s ASP 12 Ca 0.05 0.24 0.06 0.00 -3.30 0.00 0.00 52.55 49.60 2raq s ASP 12 Cb -0.09 -2.15 -0.04 0.00 -1.09 0.00 0.00 42.92 39.55 2raq s ASP 12 CO 0.02 0.01 -0.14 0.27 0.70 0.00 0.00 175.17 176.04 2raq s ILE 13 N 1.18 1.37 0.11 2.11 -4.36 -0.89 -0.66 121.20 120.07 2raq s ILE 13 Ca 0.11 -1.81 0.03 0.00 -0.26 0.00 0.00 60.65 58.72 2raq s ILE 13 Cb -0.14 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 2raq s ILE 13 CO 0.06 -0.47 0.15 -0.22 0.24 0.00 0.00 174.94 174.70 2raq s LEU 14 N -2.62 3.99 -0.28 0.37 2.96 -0.23 -2.09 118.68 120.78 2raq s LEU 14 Ca 0.11 0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 53.82 2raq s LEU 14 Cb -0.04 -2.62 0.11 0.00 0.50 0.00 0.00 46.19 44.14 2raq s LEU 14 CO 0.03 0.13 0.92 -0.75 -1.32 0.00 0.00 176.35 175.36 2raq s LYS 15 N -2.72 0.60 0.99 1.98 2.20 -1.03 -0.78 119.74 120.98 2raq s LYS 15 Ca 0.32 0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 56.52 2raq s LYS 15 Cb -0.12 0.28 -0.10 0.00 -1.51 0.00 0.00 37.83 36.38 2raq s LYS 15 CO 0.24 -0.08 -0.51 -0.35 -0.36 0.00 0.00 175.35 174.30 2raq n PRO 16 N 2.57 -0.09 -0.07 4.03 -0.04 -1.26 -2.16 135.00 137.98 2raq n PRO 16 Ca -0.14 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 2raq n PRO 16 Cb 0.56 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 2raq n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2raq h HIS 17 N -1.16 1.02 -3.26 0.54 3.86 -1.87 -3.40 115.15 110.88 2raq h HIS 17 Ca -0.44 -0.35 -0.57 0.00 -1.16 0.00 0.00 60.37 57.85 2raq h HIS 17 Cb 1.30 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.53 2raq h HIS 17 CO 0.25 1.16 -0.16 -1.21 0.86 0.00 0.00 177.93 178.83 2raq s GLU 18 N -4.15 3.85 0.37 2.45 8.01 -1.26 -2.62 118.70 125.35 2raq s GLU 18 Ca -0.10 0.30 -0.25 0.00 0.01 0.00 0.00 54.97 54.93 2raq s GLU 18 Cb 0.11 -2.89 -0.09 0.00 -4.31 0.00 0.00 34.13 26.94 2raq s GLU 18 CO 0.88 0.47 1.05 -2.14 0.01 0.00 0.00 175.26 175.54 2raq s PRO 19 N -2.15 4.28 0.91 0.39 0.02 -1.26 -5.02 135.00 132.16 2raq s PRO 19 Ca 0.38 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.84 2raq s PRO 19 Cb -0.14 -2.68 0.07 0.00 0.02 0.00 0.00 34.50 31.77 2raq s PRO 19 CO 0.19 -0.05 0.72 1.51 -0.33 0.00 0.00 177.00 179.04 2raq n ILE 20 N 0.21 0.30 0.13 2.83 3.06 -1.08 -4.76 119.36 120.05 2raq n ILE 20 Ca 0.04 -0.15 -0.00 0.00 -2.50 0.00 0.00 62.75 60.14 2raq n ILE 20 Cb 0.49 -0.80 0.12 0.00 0.54 0.00 0.00 39.64 39.98 2raq n ILE 20 CO 0.00 0.00 0.00 0.16 -2.50 0.00 0.00 176.55 174.21 2raq h ILE 21 N -1.54 1.28 0.00 9.51 3.07 -1.97 -1.58 117.51 126.28 2raq h ILE 21 Ca -0.44 -2.31 0.00 0.00 1.55 0.00 0.00 64.86 63.66 2raq h ILE 21 Cb 1.28 2.31 0.00 0.00 -0.27 0.00 0.00 36.82 40.14 2raq h ILE 21 CO 0.38 0.62 0.00 1.55 -1.05 0.00 0.00 178.15 179.65 2raq h PRO 22 N 0.00 0.00 0.14 0.16 0.13 -1.98 -1.60 132.00 128.85 2raq h PRO 22 Ca -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2raq h PRO 22 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2raq h PRO 22 CO 0.08 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 178.71 2raq h GLU 23 N 0.00 -0.18 -1.07 0.86 4.39 -1.62 -2.44 114.58 114.52 2raq h GLU 23 Ca 0.00 0.01 0.41 0.00 0.34 0.00 0.00 59.36 60.13 2raq h GLU 23 Cb 0.22 0.04 -0.17 0.00 -0.10 0.00 0.00 28.75 28.75 2raq h GLU 23 CO 0.00 -0.12 0.61 1.88 -1.16 0.00 0.00 179.01 180.21 2raq h TYR 24 N -0.25 0.79 0.90 4.33 -1.99 -1.41 0.15 116.97 119.49 2raq h TYR 24 Ca -0.02 0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 2raq h TYR 24 Cb 0.15 -0.19 0.01 0.00 2.00 0.00 0.00 36.73 38.70 2raq h TYR 24 CO 0.13 -0.39 -0.43 0.00 -0.00 0.00 0.00 178.16 177.46 2raq h ALA 25 N 1.90 -1.22 -0.95 3.88 0.00 -1.34 -2.91 119.26 118.63 2raq h ALA 25 Ca 0.83 -0.26 0.17 0.00 0.00 0.00 0.00 54.91 55.65 2raq h ALA 25 Cb 2.25 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 20.34 2raq h ALA 25 CO -0.69 -1.13 -0.30 -0.22 0.00 0.00 0.00 179.25 176.92 2raq h LYS 26 N -1.31 -0.01 0.00 0.00 1.63 -0.21 -2.09 116.57 114.57 2raq h LYS 26 Ca -0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2raq h LYS 26 Cb 0.92 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2raq h LYS 26 CO 0.20 -0.01 0.00 -0.92 -3.45 0.00 0.00 179.45 175.28 2raq h TYR 27 N -0.01 0.00 0.00 1.91 -0.00 -1.31 -2.32 116.97 115.24 2raq h TYR 27 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.14 2raq h TYR 27 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.38 2raq h TYR 27 CO -0.78 0.00 -1.26 1.28 -0.00 0.00 0.00 178.16 177.39 2raq n LEU 28 N -2.35 0.65 -0.01 2.82 4.77 -0.82 -3.24 117.00 118.83 2raq n LEU 28 Ca 0.04 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2raq n LEU 28 Cb 0.37 -0.02 0.30 0.00 -2.33 0.00 0.00 43.42 41.74 2raq n LEU 28 CO 0.27 0.15 0.97 0.28 -1.33 0.00 0.00 177.39 177.72 2raq h SER 29 N 0.00 0.51 -0.74 -1.43 0.02 -1.08 -2.85 113.55 107.98 2raq h SER 29 Ca 0.00 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2raq h SER 29 Cb 0.67 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 2raq h SER 29 CO 0.00 0.55 0.45 -0.33 -1.14 0.00 0.00 176.83 176.36 2raq h GLU 30 N 0.53 0.84 -6.24 3.45 4.39 -1.49 -3.44 114.58 112.62 2raq h GLU 30 Ca 0.12 -0.05 -0.55 0.00 0.34 0.00 0.00 59.36 59.22 2raq h GLU 30 Cb 0.28 -0.19 0.22 0.00 -0.10 0.00 0.00 28.75 28.96 2raq h GLU 30 CO 0.00 0.55 -1.37 1.28 -1.16 0.00 0.00 179.01 178.32 2raq n LEU 31 N -4.67 -3.87 -4.63 1.33 7.99 -1.08 -4.88 117.00 107.19 2raq n LEU 31 Ca 0.09 0.30 -0.43 0.00 -0.01 0.00 0.00 56.01 55.96 2raq n LEU 31 Cb 0.13 -0.91 -0.02 0.00 -0.11 0.00 0.00 43.42 42.50 2raq n LEU 31 CO 0.32 -5.12 1.28 -0.60 -1.51 0.00 0.00 177.39 171.76 2raq s ARG 32 N -2.34 3.80 -0.16 3.23 3.52 -1.26 -3.25 118.95 122.49 2raq s ARG 32 Ca 0.48 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 2raq s ARG 32 Cb -0.23 -3.99 0.00 0.00 -1.56 0.00 0.00 34.95 29.17 2raq s ARG 32 CO 0.76 -1.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.38 2raq n GLY 33 N 4.60 0.37 3.30 8.12 0.00 -1.26 -4.40 105.19 115.92 2raq n GLY 33 Ca 0.17 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 2raq n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2raq s VAL 34 N -2.08 4.95 0.19 1.61 1.01 -1.20 0.31 120.40 125.18 2raq s VAL 34 Ca 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 61.98 60.37 2raq s VAL 34 Cb 0.00 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.34 2raq s VAL 34 CO 0.00 -0.79 1.78 -0.33 0.00 0.00 0.00 175.10 175.76 2raq h GLU 35 N 8.75 0.50 -1.87 2.72 5.08 -1.12 -3.46 114.58 125.17 2raq h GLU 35 Ca -0.27 -0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.29 2raq h GLU 35 Cb 1.09 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.11 2raq h GLU 35 CO 0.96 0.33 0.66 0.20 -1.00 0.00 0.00 179.01 180.16 2raq s GLY 36 N -2.95 -0.34 0.01 -3.84 0.00 -0.75 -5.02 107.32 94.43 2raq s GLY 36 Ca -0.13 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.25 2raq s GLY 36 CO 0.74 0.16 -0.07 0.54 0.00 0.00 0.00 173.10 174.47 2raq s VAL 37 N -2.82 0.49 -0.13 1.40 0.11 -1.26 -1.77 120.40 116.42 2raq s VAL 37 Ca 0.12 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2raq s VAL 37 Cb 0.01 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 2raq s VAL 37 CO -0.02 -0.04 -0.21 0.21 -3.33 0.00 0.00 175.10 171.70 2raq s ASN 38 N -0.62 3.02 -0.32 3.54 3.84 0.11 -4.99 114.94 119.53 2raq s ASN 38 Ca -0.02 -0.58 0.03 0.00 0.21 0.00 0.00 52.86 52.51 2raq s ASN 38 Cb -0.05 -1.40 0.09 0.00 -0.55 0.00 0.00 41.25 39.34 2raq s ASN 38 CO 0.00 0.08 0.01 -0.63 -2.79 0.00 0.00 177.10 173.78 2raq s ILE 39 N 0.76 2.17 0.06 -5.21 1.01 -1.26 -0.01 121.20 118.72 2raq s ILE 39 Ca -0.09 -2.10 -0.04 0.00 0.00 0.00 0.00 60.65 58.41 2raq s ILE 39 Cb -0.16 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2raq s ILE 39 CO -0.00 -0.45 0.29 0.42 0.00 0.00 0.00 174.94 175.19 2raq s THR 40 N 1.00 5.28 0.71 2.92 -4.23 -0.66 -4.93 115.64 115.73 2raq s THR 40 Ca 0.06 -0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.46 2raq s THR 40 Cb -0.19 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.09 2raq s THR 40 CO -0.08 0.22 1.08 -0.22 -0.54 0.00 0.00 174.62 175.07 2raq s LEU 41 N -2.20 2.84 0.02 4.79 0.20 -1.26 0.25 118.68 123.32 2raq s LEU 41 Ca 0.33 0.90 -0.30 0.00 0.69 0.00 0.00 54.13 55.75 2raq s LEU 41 Cb -0.13 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 2raq s LEU 41 CO 0.21 -1.47 0.97 -0.70 -0.29 0.00 0.00 176.35 175.08 2raq s GLU 43 N -5.34 4.58 -0.25 1.98 2.12 -0.71 -4.91 118.70 116.16 2raq s GLU 43 Ca 0.59 1.41 -0.05 0.00 0.36 0.00 0.00 54.97 57.28 2raq s GLU 43 Cb -0.11 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 2raq s GLU 43 CO 0.49 0.00 0.01 -1.50 -0.54 0.00 0.00 175.26 173.72 2raq s ILE 44 N 0.82 3.64 0.00 -3.70 2.07 -1.26 0.57 121.20 123.35 2raq s ILE 44 Ca 0.51 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 2raq s ILE 44 Cb -0.21 -2.75 0.00 0.00 0.13 0.00 0.00 42.46 39.62 2raq s ILE 44 CO 0.28 0.28 0.00 0.47 -1.91 0.00 0.00 174.94 174.07 2raq n ASP 45 N 4.82 0.53 -0.10 4.50 9.92 -0.96 -4.99 116.55 130.28 2raq n ASP 45 Ca -0.17 -0.74 -0.19 0.00 -0.53 0.00 0.00 54.79 53.16 2raq n ASP 45 Cb 0.50 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.88 2raq n ASP 45 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2raq h LYS 46 N 0.00 0.00 -0.02 -1.24 2.10 -2.02 -3.38 116.57 112.01 2raq h LYS 46 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2raq h LYS 46 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 2raq h LYS 46 CO 0.00 0.86 -0.40 0.93 -2.00 0.00 0.00 179.45 178.84 2raq h GLU 47 N -1.00 -0.46 0.00 0.07 4.39 -1.99 -3.49 114.58 112.10 2raq h GLU 47 Ca -0.30 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2raq h GLU 47 Cb 1.19 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2raq h GLU 47 CO -0.18 -0.31 0.00 -2.37 -1.16 0.00 0.00 179.01 174.99 2raq n THR 48 N -4.67 0.00 -3.16 1.13 5.66 -1.26 -4.45 114.28 107.53 2raq n THR 48 Ca -0.05 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.00 2raq n THR 48 Cb 0.29 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.04 2raq n THR 48 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2raq s GLU 49 N 1.41 0.03 -0.28 1.09 2.12 -0.92 -2.26 118.70 119.89 2raq s GLU 49 Ca 0.00 0.07 -0.10 0.00 0.36 0.00 0.00 54.97 55.30 2raq s GLU 49 Cb 0.00 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2raq s GLU 49 CO 0.00 -0.02 0.15 1.21 -0.54 0.00 0.00 175.26 176.06 2raq s ASN 50 N 2.56 5.67 0.17 -1.70 3.84 0.19 -2.47 114.94 123.21 2raq s ASN 50 Ca -0.05 -0.19 0.10 0.00 0.21 0.00 0.00 52.86 52.92 2raq s ASN 50 Cb -0.05 -2.04 -0.04 0.00 -0.55 0.00 0.00 41.25 38.57 2raq s ASN 50 CO -0.11 -0.09 -0.17 0.27 -2.79 0.00 0.00 177.10 174.21 2raq s ILE 51 N 1.69 2.78 -0.13 -5.21 -0.00 -0.89 -1.74 121.20 117.70 2raq s ILE 51 Ca 0.06 -1.76 -0.05 0.00 -0.00 0.00 0.00 60.65 58.91 2raq s ILE 51 Cb -0.16 -2.33 -0.04 0.00 -0.00 0.00 0.00 42.46 39.93 2raq s ILE 51 CO 0.08 -0.05 0.06 -0.75 -0.00 0.00 0.00 174.94 174.27 2raq s LYS 52 N -2.58 3.47 -0.23 0.37 2.20 0.14 -2.09 119.74 121.02 2raq s LYS 52 Ca 0.21 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 2raq s LYS 52 Cb -0.09 -3.05 0.05 0.00 -1.51 0.00 0.00 37.83 33.23 2raq s LYS 52 CO 0.12 0.56 -0.12 0.08 -0.36 0.00 0.00 175.35 175.63 2raq s VAL 53 N -0.45 2.03 -0.33 4.02 1.01 -0.54 -1.65 120.40 124.48 2raq s VAL 53 Ca 0.10 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 2raq s VAL 53 Cb -0.12 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2raq s VAL 53 CO 0.02 0.11 0.12 -0.89 0.00 0.00 0.00 175.10 174.46 2raq s THR 54 N 1.20 4.04 -0.00 3.92 2.01 0.98 -1.23 115.64 126.57 2raq s THR 54 Ca -0.05 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.13 2raq s THR 54 Cb -0.18 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 2raq s THR 54 CO -0.07 -0.09 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.04 2raq s ILE 55 N 1.48 1.74 -0.01 1.82 2.07 0.81 0.09 121.20 129.20 2raq s ILE 55 Ca 0.01 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 58.25 2raq s ILE 55 Cb -0.19 -1.46 0.00 0.00 0.13 0.00 0.00 42.46 40.95 2raq s ILE 55 CO 0.04 0.43 -0.03 -1.58 -1.91 0.00 0.00 174.94 171.88 2raq s GLN 56 N -0.68 0.33 0.00 3.50 0.74 -0.73 0.03 119.66 122.86 2raq s GLN 56 Ca 0.08 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.38 2raq s GLN 56 Cb -0.09 -0.35 0.00 0.00 1.10 0.00 0.00 33.01 33.68 2raq s GLN 56 CO -0.00 0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 2raq n GLY 57 N 3.16 0.96 3.37 2.59 0.00 0.28 -0.50 105.19 115.05 2raq n GLY 57 Ca -0.15 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2raq n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2raq s ASN 58 N 2.00 3.40 -0.99 1.61 3.04 0.15 -3.97 114.94 120.18 2raq s ASN 58 Ca 0.00 -0.37 -0.01 0.00 0.04 0.00 0.00 52.86 52.52 2raq s ASN 58 Cb 0.00 -0.55 0.00 0.00 -1.54 0.00 0.00 41.25 39.16 2raq s ASN 58 CO 0.00 0.32 0.01 -0.67 -3.04 0.00 0.00 177.10 173.73 2raq n ASP 59 N 2.42 0.52 -4.69 -4.21 -0.08 0.21 -4.60 116.55 106.12 2raq n ASP 59 Ca -0.16 -0.82 -0.35 0.00 -1.51 0.00 0.00 54.79 51.95 2raq n ASP 59 Cb 0.51 -1.02 0.11 0.00 2.34 0.00 0.00 41.12 43.06 2raq n ASP 59 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2raq n LEU 60 N -3.31 4.78 -4.23 -2.67 4.77 -0.87 -4.86 117.00 110.61 2raq n LEU 60 Ca -0.21 0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 56.05 2raq n LEU 60 Cb 0.45 -1.51 -0.11 0.00 -2.33 0.00 0.00 43.42 39.91 2raq n LEU 60 CO 0.54 -1.54 -0.19 -0.62 -1.33 0.00 0.00 177.39 174.26 2raq s ASP 61 N -1.85 5.40 0.32 -1.43 -1.08 -1.26 -4.62 116.67 112.15 2raq s ASP 61 Ca 0.76 -1.46 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 2raq s ASP 61 Cb -0.32 -1.89 0.57 0.00 -1.46 0.00 0.00 42.92 39.82 2raq s ASP 61 CO 0.48 -0.45 1.96 0.15 0.52 0.00 0.00 175.17 177.83 2raq h PHE 62 N 8.24 0.93 -0.02 -5.34 3.57 -1.99 -1.23 116.94 121.11 2raq h PHE 62 Ca -0.21 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.08 2raq h PHE 62 Cb 1.07 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.51 2raq h PHE 62 CO 0.60 0.54 -0.94 -0.44 -2.23 0.00 0.00 178.31 175.83 2raq h ASP 63 N 0.96 0.64 0.50 0.41 3.45 -1.98 -1.09 116.42 119.31 2raq h ASP 63 Ca 0.32 -0.50 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 2raq h ASP 63 Cb 0.07 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2raq h ASP 63 CO -0.10 1.30 -0.28 -0.33 -1.57 0.00 0.00 179.24 178.26 2raq h GLU 64 N 0.29 -0.70 -0.60 3.56 5.08 -1.91 0.12 114.58 120.43 2raq h GLU 64 Ca -0.09 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2raq h GLU 64 Cb 1.57 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 30.88 2raq h GLU 64 CO 0.17 -0.47 -0.04 0.82 -1.00 0.00 0.00 179.01 178.49 2raq h ILE 65 N -0.73 0.48 0.15 3.13 5.03 -1.13 0.85 117.51 125.30 2raq h ILE 65 Ca -0.06 -0.03 -0.30 0.00 -0.12 0.00 0.00 64.86 64.35 2raq h ILE 65 Cb 0.58 0.39 0.03 0.00 -3.03 0.00 0.00 36.82 34.78 2raq h ILE 65 CO 0.09 0.01 -1.30 0.00 -0.68 0.00 0.00 178.15 176.28 2raq h THR 66 N 0.08 1.33 -0.72 -0.27 1.03 -1.05 -1.46 112.91 111.85 2raq h THR 66 Ca 0.30 -2.64 -0.01 0.00 -0.01 0.00 0.00 66.41 64.05 2raq h THR 66 Cb 0.49 2.82 -0.03 0.00 -1.07 0.00 0.00 68.15 70.35 2raq h THR 66 CO -0.54 0.79 0.39 0.03 -0.01 0.00 0.00 175.52 176.18 2raq h ARG 67 N 0.20 0.99 -0.68 0.00 3.08 -0.43 -2.35 114.38 115.19 2raq h ARG 67 Ca -0.19 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 2raq h ARG 67 Cb 1.98 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.80 2raq h ARG 67 CO 0.24 0.73 0.38 0.00 -1.07 0.00 0.00 179.97 180.26 2raq h ALA 68 N 1.43 0.88 -0.40 0.04 0.00 -0.66 -1.04 119.26 119.50 2raq h ALA 68 Ca 0.25 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2raq h ALA 68 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2raq h ALA 68 CO -0.04 0.38 -0.13 0.82 0.00 0.00 0.00 179.25 180.28 2raq h ILE 69 N 0.94 1.26 -0.39 0.00 2.04 -0.95 -2.10 117.51 118.31 2raq h ILE 69 Ca 0.24 -1.17 -0.11 0.00 1.00 0.00 0.00 64.86 64.82 2raq h ILE 69 Cb 0.02 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2raq h ILE 69 CO -0.04 0.40 -0.22 -0.33 0.00 0.00 0.00 178.15 177.96 2raq h GLU 70 N 0.66 0.76 -0.92 2.37 5.08 -1.14 -1.49 114.58 119.91 2raq h GLU 70 Ca 0.11 -0.30 0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2raq h GLU 70 Cb 0.59 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 2raq h GLU 70 CO 0.04 0.91 0.56 0.77 -1.00 0.00 0.00 179.01 180.29 2raq h SER 71 N 0.67 0.83 0.00 1.42 0.02 -0.77 0.67 113.55 116.38 2raq h SER 71 Ca 0.09 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2raq h SER 71 Cb 0.72 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2raq h SER 71 CO 0.06 0.48 0.00 -1.22 -1.14 0.00 0.00 176.83 175.00 2raq n TYR 72 N -4.65 0.00 0.00 3.45 4.02 -0.83 -4.84 117.16 114.31 2raq n TYR 72 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 2raq n TYR 72 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 2raq n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2raq n GLY 73 N 0.46 2.11 3.55 2.72 0.00 0.23 -4.56 105.19 109.70 2raq n GLY 73 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2raq n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2raq s GLY 74 N -2.16 1.56 -0.10 -0.02 0.00 -0.59 -4.74 107.32 101.27 2raq s GLY 74 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 2raq s GLY 74 CO 0.00 -0.00 0.19 -0.45 0.00 0.00 0.00 173.10 172.84 2raq s SER 75 N -3.74 0.45 -0.58 1.64 0.15 0.04 -4.32 113.70 107.34 2raq s SER 75 Ca 0.70 0.41 -0.27 0.00 0.70 0.00 0.00 55.95 57.50 2raq s SER 75 Cb -0.11 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2raq s SER 75 CO 0.57 -0.22 1.14 -0.63 1.20 0.00 0.00 173.24 175.29 2raq s ILE 76 N 2.10 4.10 -0.05 6.45 1.09 -1.26 -1.07 121.20 132.56 2raq s ILE 76 Ca 0.00 0.75 -0.26 0.00 -1.10 0.00 0.00 60.65 60.03 2raq s ILE 76 Cb -0.12 -4.69 -0.22 0.00 -1.06 0.00 0.00 42.46 36.38 2raq s ILE 76 CO -0.07 -1.30 1.15 0.45 -0.10 0.00 0.00 174.94 175.07 2raq h HIS 77 N 9.50 0.03 -3.17 3.97 3.86 -1.23 -3.48 115.15 124.63 2raq h HIS 77 Ca -0.25 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 58.90 2raq h HIS 77 Cb 1.06 -0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.39 2raq h HIS 77 CO 1.01 0.63 0.03 -1.54 0.86 0.00 0.00 177.93 178.92 2raq s SER 78 N -5.85 -0.37 -0.49 2.45 1.04 -0.92 -4.99 113.70 104.56 2raq s SER 78 Ca -0.17 -0.13 -0.20 0.00 0.48 0.00 0.00 55.95 55.93 2raq s SER 78 Cb 0.01 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.69 2raq s SER 78 CO 0.68 -0.86 0.67 -0.69 0.98 0.00 0.00 173.24 174.02 2raq s VAL 79 N -3.55 4.80 -0.12 5.02 1.01 -1.26 -0.17 120.40 126.13 2raq s VAL 79 Ca 0.01 -0.24 0.16 0.00 0.00 0.00 0.00 61.98 61.91 2raq s VAL 79 Cb 0.01 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 2raq s VAL 79 CO -0.11 -0.79 1.06 0.44 0.00 0.00 0.00 175.10 175.71 2raq h ASP 80 N 9.00 0.00 -4.33 3.32 3.32 0.64 -3.47 116.42 124.90 2raq h ASP 80 Ca -0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 2raq h ASP 80 Cb 1.09 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 2raq h ASP 80 CO 0.96 0.57 0.23 -0.70 -1.72 0.00 0.00 179.24 178.58 2raq s GLU 81 N -2.93 0.87 0.04 3.56 2.12 -0.99 -5.01 118.70 116.35 2raq s GLU 81 Ca -0.00 0.57 0.02 0.00 0.36 0.00 0.00 54.97 55.92 2raq s GLU 81 Cb 0.08 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.87 2raq s GLU 81 CO 0.79 -0.20 -0.08 0.08 -0.54 0.00 0.00 175.26 175.31 2raq s VAL 82 N -0.43 0.60 -0.03 3.70 1.01 -1.26 -0.54 120.40 123.45 2raq s VAL 82 Ca -0.04 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2raq s VAL 82 Cb -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2raq s VAL 82 CO 0.04 -0.26 -0.02 -0.69 0.00 0.00 0.00 175.10 174.17 2raq s VAL 83 N -1.13 0.29 0.00 2.92 1.01 -0.21 -5.00 120.40 118.28 2raq s VAL 83 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2raq s VAL 83 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2raq s VAL 83 CO 0.00 0.16 0.03 0.00 0.00 0.00 0.00 175.10 175.29 2raq s ALA 84 N 0.88 -0.05 0.00 5.51 0.00 -1.26 -1.52 121.76 125.32 2raq s ALA 84 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2raq s ALA 84 Cb -0.13 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2raq s ALA 84 CO -0.01 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2raq n GLY 85 N 2.20 0.37 0.02 0.00 0.00 0.49 -4.70 105.19 103.57 2raq n GLY 85 Ca -0.19 -2.15 0.12 0.00 0.00 0.00 0.00 46.02 43.81 2raq n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2raq n ARG 86 N 0.00 0.09 0.00 1.61 1.74 -1.25 -3.73 116.66 115.11 2raq n ARG 86 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2raq n ARG 86 Cb 0.00 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 2raq n ARG 86 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2raq n THR 87 N -1.69 0.00 -3.25 0.55 5.66 -1.26 -4.84 114.28 109.45 2raq n THR 87 Ca 0.05 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.08 2raq n THR 87 Cb 0.37 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.11 2raq n THR 87 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2raq s VAL 89 N 2.18 -0.08 0.55 1.08 1.01 -1.26 -4.79 120.40 119.09 2raq s VAL 89 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2raq s VAL 89 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2raq s VAL 89 CO 0.00 0.00 0.85 -1.61 0.00 0.00 0.00 175.10 174.34 2raq s GLU 90 N 1.95 3.10 -0.09 2.72 0.41 -1.26 -4.97 118.70 120.55 2raq s GLU 90 Ca -0.01 0.01 -0.30 0.00 -0.41 0.00 0.00 54.97 54.27 2raq s GLU 90 Cb -0.01 -2.32 -0.03 0.00 -1.78 0.00 0.00 34.13 29.98 2raq s GLU 90 CO -0.15 -0.54 1.39 -2.00 -0.49 0.00 0.00 175.26 173.47 2raq s GLU 91 N -4.89 4.24 -0.10 1.61 2.12 -1.26 -4.99 118.70 115.43 2raq s GLU 91 Ca 0.52 1.87 -0.26 0.00 0.36 0.00 0.00 54.97 57.46 2raq s GLU 91 Cb -0.10 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 2raq s GLU 91 CO 0.45 -0.70 0.82 0.14 -0.54 0.00 0.00 175.26 175.42 2raq s VAL 92 N 3.34 4.94 0.05 3.70 -7.23 -1.26 -5.03 120.40 118.91 2raq s VAL 92 Ca 0.62 1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 62.33 2raq s VAL 92 Cb -0.27 -4.14 -0.06 0.00 0.56 0.00 0.00 36.38 32.47 2raq s VAL 92 CO 0.22 0.13 0.41 0.42 -0.31 0.00 0.00 175.10 175.98 2raq s THR 93 N 1.42 5.05 0.26 5.32 -4.23 -1.26 -5.08 115.64 117.13 2raq s THR 93 Ca 0.41 0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 61.47 2raq s THR 93 Cb -0.18 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 2raq s THR 93 CO 0.18 0.41 0.43 0.28 -0.54 0.00 0.00 174.62 175.38 2raq s THR 94 N -1.27 0.00 -2.00 3.99 -1.32 -1.26 -5.33 115.64 108.45 2raq s THR 94 Ca 0.29 -1.53 0.26 0.00 -1.21 0.00 0.00 61.69 59.51 2raq s THR 94 Cb -0.15 -2.35 0.75 0.00 -1.51 0.00 0.00 72.50 69.25 2raq s THR 94 CO 0.16 0.00 1.93 -2.65 -2.21 0.00 0.00 174.62 171.85