#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1d s ASP 2 N 0.00 2.88 -0.36 7.83 1.01 0.41 -4.76 116.67 123.67 2g1d s ASP 2 Ca 0.00 -0.83 -0.19 0.00 0.71 0.00 0.00 52.55 52.24 2g1d s ASP 2 Cb 0.00 -0.55 0.00 0.00 1.01 0.00 0.00 42.92 43.38 2g1d s ASP 2 CO 0.00 -0.32 0.57 -0.22 0.21 0.00 0.00 175.17 175.41 2g1d s LEU 3 N 1.89 4.35 -0.22 1.23 1.98 -1.21 0.12 118.68 126.82 2g1d s LEU 3 Ca -0.00 -0.02 -0.10 0.00 -2.89 0.00 0.00 54.13 51.12 2g1d s LEU 3 Cb -0.17 -2.67 -0.05 0.00 0.66 0.00 0.00 46.19 43.97 2g1d s LEU 3 CO -0.09 -0.56 0.13 0.27 -1.89 0.00 0.00 176.35 174.21 2g1d s ILE 4 N 2.55 5.23 -0.07 6.68 -4.36 0.23 -4.88 121.20 126.58 2g1d s ILE 4 Ca 0.21 0.13 -0.01 0.00 -0.26 0.00 0.00 60.65 60.72 2g1d s ILE 4 Cb -0.15 -3.41 -0.03 0.00 1.25 0.00 0.00 42.46 40.11 2g1d s ILE 4 CO 0.14 0.38 -0.00 -0.63 0.24 0.00 0.00 174.94 175.08 2g1d s ILE 5 N 0.82 4.25 -0.34 8.37 1.09 -1.26 -1.24 121.20 132.89 2g1d s ILE 5 Ca 0.07 -0.33 0.16 0.00 -1.10 0.00 0.00 60.65 59.45 2g1d s ILE 5 Cb -0.13 -2.81 0.44 0.00 -1.06 0.00 0.00 42.46 38.91 2g1d s ILE 5 CO 0.02 0.56 0.93 1.17 -0.10 0.00 0.00 174.94 177.52 2g1d n LYS 6 N 1.98 1.26 -2.75 2.79 4.81 -0.44 -5.04 118.16 120.77 2g1d n LYS 6 Ca -0.18 -3.35 -0.41 0.00 -0.87 0.00 0.00 58.31 53.51 2g1d n LYS 6 Cb 0.53 -1.37 -0.05 0.00 0.02 0.00 0.00 35.03 34.17 2g1d n LYS 6 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2g1d s GLU 7 N -3.05 4.73 -0.03 1.64 8.01 -1.25 -2.14 118.70 126.61 2g1d s GLU 7 Ca 0.30 1.44 0.02 0.00 0.01 0.00 0.00 54.97 56.74 2g1d s GLU 7 Cb 0.44 -3.35 0.01 0.00 -4.31 0.00 0.00 34.13 26.93 2g1d s GLU 7 CO 0.01 0.31 -0.06 0.15 0.01 0.00 0.00 175.26 175.68 2g1d s LYS 8 N -0.35 0.84 -0.05 1.61 1.02 -0.71 -4.91 119.74 117.18 2g1d s LYS 8 Ca 0.45 -0.18 0.04 0.00 0.02 0.00 0.00 55.97 56.29 2g1d s LYS 8 Cb -0.24 -0.81 -0.00 0.00 -0.52 0.00 0.00 37.83 36.26 2g1d s LYS 8 CO 0.30 0.01 -0.17 -0.98 -0.92 0.00 0.00 175.35 173.59 2g1d s ARG 9 N 0.54 1.81 -0.19 1.68 1.04 -1.26 0.13 118.95 122.70 2g1d s ARG 9 Ca -0.08 -0.59 0.01 0.00 -1.04 0.00 0.00 55.73 54.03 2g1d s ARG 9 Cb -0.11 -1.55 0.04 0.00 -2.04 0.00 0.00 34.95 31.29 2g1d s ARG 9 CO 0.00 0.22 -0.11 0.34 -0.04 0.00 0.00 175.30 175.71 2g1d s ASP 10 N 0.11 3.25 -0.31 -2.89 2.15 -0.59 -4.93 116.67 113.46 2g1d s ASP 10 Ca -0.05 -0.80 -0.06 0.00 0.43 0.00 0.00 52.55 52.07 2g1d s ASP 10 Cb -0.12 -1.23 0.03 0.00 -0.30 0.00 0.00 42.92 41.30 2g1d s ASP 10 CO 0.03 -0.12 0.07 0.20 -0.17 0.00 0.00 175.17 175.17 2g1d s ASN 11 N 1.41 5.10 0.00 -0.34 0.01 -1.24 -1.98 114.94 117.90 2g1d s ASN 11 Ca 0.00 -0.96 0.00 0.00 -0.71 0.00 0.00 52.86 51.19 2g1d s ASN 11 Cb -0.15 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.67 2g1d s ASN 11 CO -0.09 -0.25 0.00 -0.81 -1.51 0.00 0.00 177.10 174.44 2g1d n PRO 12 N 4.80 0.00 -0.06 -0.60 -0.04 -1.26 -4.71 135.00 133.14 2g1d n PRO 12 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 2g1d n PRO 12 Cb 0.46 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.86 2g1d n PRO 12 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2g1d h ILE 13 N 0.00 1.31 -0.41 0.52 3.07 -1.93 -3.32 117.51 116.74 2g1d h ILE 13 Ca 0.00 -1.73 0.00 0.00 1.55 0.00 0.00 64.86 64.68 2g1d h ILE 13 Cb 0.00 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 2g1d h ILE 13 CO 0.00 0.55 0.00 0.00 -1.05 0.00 0.00 178.15 177.65 2g1d n LEU 14 N -4.13 3.73 -3.88 0.16 -0.00 -1.26 -5.02 117.00 106.61 2g1d n LEU 14 Ca -0.06 -2.43 -0.31 0.00 -0.00 0.00 0.00 56.01 53.22 2g1d n LEU 14 Cb 0.60 -0.42 0.01 0.00 -0.00 0.00 0.00 43.42 43.60 2g1d n LEU 14 CO 0.48 0.74 -0.18 2.29 -0.00 0.00 0.00 177.39 180.73 2g1d n LYS 15 N 0.40 -2.01 -3.75 1.47 0.00 -1.25 -4.17 118.16 108.85 2g1d n LYS 15 Ca 0.19 0.37 -0.27 0.00 -0.00 0.00 0.00 58.31 58.59 2g1d n LYS 15 Cb 0.70 -4.07 -0.03 0.00 -0.00 0.00 0.00 35.03 31.62 2g1d n LYS 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2g1d s ARG 16 N -6.49 3.50 0.10 -1.58 3.52 -0.84 -3.18 118.95 113.98 2g1d s ARG 16 Ca 0.24 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.46 2g1d s ARG 16 Cb -0.10 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2g1d s ARG 16 CO 0.89 0.42 -0.08 -1.59 -0.81 0.00 0.00 175.30 174.13 2g1d s LYS 17 N -3.35 0.86 -0.22 5.12 0.00 -1.13 -1.55 119.74 119.47 2g1d s LYS 17 Ca 0.37 -1.26 -0.02 0.00 0.00 0.00 0.00 55.97 55.06 2g1d s LYS 17 Cb -0.11 -0.38 0.07 0.00 0.00 0.00 0.00 37.83 37.41 2g1d s LYS 17 CO 0.29 0.03 0.02 -2.00 0.00 0.00 0.00 175.35 173.70 2g1d s GLU 18 N -3.36 0.91 0.06 1.78 2.12 0.12 -2.97 118.70 117.35 2g1d s GLU 18 Ca 0.09 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.79 2g1d s GLU 18 Cb 0.01 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 2g1d s GLU 18 CO -0.02 -0.69 -0.12 0.96 -0.54 0.00 0.00 175.26 174.85 2g1d s ILE 19 N 1.70 0.93 -0.20 -3.70 -0.00 -1.02 -1.74 121.20 117.16 2g1d s ILE 19 Ca -0.00 -1.17 -0.11 0.00 -0.00 0.00 0.00 60.65 59.37 2g1d s ILE 19 Cb -0.18 -0.91 -0.05 0.00 -0.00 0.00 0.00 42.46 41.33 2g1d s ILE 19 CO -0.10 -0.23 0.15 -1.59 -0.00 0.00 0.00 174.94 173.17 2g1d s LYS 20 N -1.56 4.20 0.03 0.37 0.00 -0.91 0.12 119.74 121.99 2g1d s LYS 20 Ca -0.04 -0.18 0.01 0.00 0.00 0.00 0.00 55.97 55.77 2g1d s LYS 20 Cb -0.09 -3.42 -0.02 0.00 0.00 0.00 0.00 37.83 34.29 2g1d s LYS 20 CO 0.02 0.28 -0.06 1.52 0.00 0.00 0.00 175.35 177.11 2g1d s TYR 21 N 0.40 0.48 -0.03 1.78 1.13 -0.98 -1.33 117.35 118.79 2g1d s TYR 21 Ca 0.09 -0.47 0.04 0.00 -1.41 0.00 0.00 57.07 55.31 2g1d s TYR 21 Cb -0.11 -0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.44 2g1d s TYR 21 CO -0.01 -0.12 -0.14 0.08 -2.51 0.00 0.00 175.55 172.85 2g1d s VAL 22 N -1.30 1.17 -0.18 -3.49 1.01 -0.38 -1.73 120.40 115.50 2g1d s VAL 22 Ca -0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2g1d s VAL 22 Cb -0.09 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2g1d s VAL 22 CO -0.00 0.34 -0.15 -0.22 0.00 0.00 0.00 175.10 175.07 2g1d s LEU 23 N -0.01 2.40 -0.27 3.92 2.96 0.31 0.75 118.68 128.74 2g1d s LEU 23 Ca -0.01 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.25 2g1d s LEU 23 Cb -0.09 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2g1d s LEU 23 CO 0.01 0.02 0.17 -0.54 -1.32 0.00 0.00 176.35 174.70 2g1d s LYS 24 N 1.17 3.92 -0.11 1.98 1.02 0.31 -1.14 119.74 126.90 2g1d s LYS 24 Ca 0.02 -0.34 -0.00 0.00 0.02 0.00 0.00 55.97 55.67 2g1d s LYS 24 Cb -0.14 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2g1d s LYS 24 CO -0.06 -0.17 -0.10 -0.59 -0.92 0.00 0.00 175.35 173.51 2g1d s PHE 25 N 1.71 2.86 0.11 3.18 -0.71 -1.25 0.15 117.98 124.04 2g1d s PHE 25 Ca 0.07 -0.34 0.03 0.00 -1.04 0.00 0.00 56.93 55.65 2g1d s PHE 25 Cb -0.16 -1.80 -0.04 0.00 -1.21 0.00 0.00 43.02 39.81 2g1d s PHE 25 CO 0.10 0.01 0.15 0.16 -1.34 0.00 0.00 175.22 174.30 2g1d s ASP 26 N -0.08 5.76 0.43 1.98 -4.77 -1.26 -4.78 116.67 113.95 2g1d s ASP 26 Ca -0.01 0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.26 2g1d s ASP 26 Cb -0.14 -1.60 0.00 0.00 -1.09 0.00 0.00 42.92 40.09 2g1d s ASP 26 CO 0.03 0.12 0.00 -0.24 0.70 0.00 0.00 175.17 175.78 2g1d n SER 27 N 0.02 -8.77 -2.21 2.11 2.88 -1.26 -4.24 113.62 102.15 2g1d n SER 27 Ca -0.08 0.85 -0.29 0.00 -1.33 0.00 0.00 58.87 58.03 2g1d n SER 27 Cb 0.53 -4.62 0.10 0.00 -0.75 0.00 0.00 64.21 59.47 2g1d n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2g1d n SER 28 N -4.32 6.36 -4.87 -3.46 2.88 -1.26 -4.97 113.62 103.98 2g1d n SER 28 Ca -0.02 -3.60 -0.31 0.00 -1.33 0.00 0.00 58.87 53.61 2g1d n SER 28 Cb 0.68 -0.94 -0.04 0.00 -0.75 0.00 0.00 64.21 63.16 2g1d n SER 28 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2g1d s ARG 29 N -3.33 3.83 -0.08 -1.46 3.52 -1.26 -5.02 118.95 115.15 2g1d s ARG 29 Ca 0.57 0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 56.31 2g1d s ARG 29 Cb 0.45 -2.47 -0.05 0.00 -1.56 0.00 0.00 34.95 31.32 2g1d s ARG 29 CO 0.02 0.11 1.60 0.99 -0.81 0.00 0.00 175.30 177.20 2g1d s THR 30 N -2.14 3.69 0.29 4.11 2.01 -1.26 -4.94 115.64 117.40 2g1d s THR 30 Ca 0.51 0.83 -0.28 0.00 0.31 0.00 0.00 61.69 63.05 2g1d s THR 30 Cb -0.10 -3.55 -0.14 0.00 0.01 0.00 0.00 72.50 68.72 2g1d s THR 30 CO 0.25 -0.09 1.12 -2.65 -0.69 0.00 0.00 174.62 172.57 2g1d n PRO 31 N 7.09 1.59 -2.08 4.92 -0.02 -1.26 -4.94 135.00 140.30 2g1d n PRO 31 Ca 0.17 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 2g1d n PRO 31 Cb 0.43 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.91 2g1d n PRO 31 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2g1d s SER 32 N -0.41 5.72 -0.04 2.55 0.15 -1.26 -4.98 113.70 115.42 2g1d s SER 32 Ca 0.59 1.90 -0.26 0.00 0.70 0.00 0.00 55.95 58.89 2g1d s SER 32 Cb -0.67 -2.55 -0.21 0.00 -1.71 0.00 0.00 66.02 60.88 2g1d s SER 32 CO 0.60 -1.21 1.13 -0.09 1.20 0.00 0.00 173.24 174.87 2g1d h ARG 33 N 0.59 0.08 -0.07 5.44 1.12 -2.00 -3.02 114.38 116.52 2g1d h ARG 33 Ca -0.48 -0.06 -0.22 0.00 -1.11 0.00 0.00 59.98 58.12 2g1d h ARG 33 Cb 1.23 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 31.21 2g1d h ARG 33 CO 0.57 0.70 -0.80 1.49 -3.11 0.00 0.00 179.97 178.82 2g1d h GLU 34 N -0.53 0.66 0.05 0.20 4.81 -1.96 -2.32 114.58 115.49 2g1d h GLU 34 Ca -0.00 -0.62 0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2g1d h GLU 34 Cb 0.71 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2g1d h GLU 34 CO 0.01 1.23 -0.12 1.49 -0.73 0.00 0.00 179.01 180.89 2g1d h GLU 35 N 0.33 -0.23 0.14 1.92 4.57 -1.97 0.54 114.58 119.87 2g1d h GLU 35 Ca -0.08 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2g1d h GLU 35 Cb 1.46 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.10 2g1d h GLU 35 CO 0.16 -0.15 -0.07 0.97 -1.18 0.00 0.00 179.01 178.74 2g1d h ILE 36 N -0.23 0.77 0.21 2.32 -0.00 -1.65 -2.16 117.51 116.78 2g1d h ILE 36 Ca 0.03 -1.22 0.00 0.00 -0.00 0.00 0.00 64.86 63.67 2g1d h ILE 36 Cb 0.26 1.35 -0.02 0.00 -0.00 0.00 0.00 36.82 38.41 2g1d h ILE 36 CO -0.09 0.22 -0.23 0.50 -0.00 0.00 0.00 178.15 178.56 2g1d h LYS 37 N -0.92 -0.46 0.18 2.19 1.63 -1.46 0.46 116.57 118.19 2g1d h LYS 37 Ca -0.02 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2g1d h LYS 37 Cb 0.50 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2g1d h LYS 37 CO 0.03 -0.31 -0.08 1.05 -3.45 0.00 0.00 179.45 176.69 2g1d h GLU 38 N -0.48 -0.23 -0.50 1.90 4.11 -0.08 0.34 114.58 119.65 2g1d h GLU 38 Ca 0.00 0.02 0.15 0.00 0.07 0.00 0.00 59.36 59.59 2g1d h GLU 38 Cb 0.45 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2g1d h GLU 38 CO -0.06 0.18 0.36 1.25 0.07 0.00 0.00 179.01 180.81 2g1d h LEU 39 N -0.74 0.00 0.05 3.06 6.46 -1.30 0.53 115.31 123.37 2g1d h LEU 39 Ca -0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2g1d h LEU 39 Cb 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2g1d h LEU 39 CO 0.04 0.00 -0.02 0.16 -0.62 0.00 0.00 178.44 178.00 2g1d h ILE 40 N 0.00 1.22 -0.03 4.05 3.07 0.12 -2.83 117.51 123.10 2g1d h ILE 40 Ca 0.24 -1.65 -0.01 0.00 1.55 0.00 0.00 64.86 64.98 2g1d h ILE 40 Cb 0.96 2.19 -0.00 0.00 -0.27 0.00 0.00 36.82 39.70 2g1d h ILE 40 CO -0.00 0.37 -0.02 0.00 -1.05 0.00 0.00 178.15 177.45 2g1d h ALA 41 N -0.16 0.05 -0.22 0.16 0.00 -0.35 1.28 119.26 120.02 2g1d h ALA 41 Ca -0.01 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2g1d h ALA 41 Cb 0.66 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2g1d h ALA 41 CO 0.01 -0.21 -0.10 0.87 0.00 0.00 0.00 179.25 179.82 2g1d h LYS 42 N -0.35 -0.07 -0.06 0.00 1.57 0.41 0.65 116.57 118.73 2g1d h LYS 42 Ca 0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 2g1d h LYS 42 Cb 0.47 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2g1d h LYS 42 CO 0.01 -0.04 -0.54 0.45 -0.57 0.00 0.00 179.45 178.75 2g1d h HIS 43 N -0.07 0.20 0.00 -1.35 3.86 -1.53 -2.40 115.15 113.87 2g1d h HIS 43 Ca 0.12 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2g1d h HIS 43 Cb 0.25 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2g1d h HIS 43 CO -0.27 0.67 0.14 0.39 0.86 0.00 0.00 177.93 179.72 2g1d n GLU 44 N -3.91 0.05 0.00 2.45 1.02 0.44 -4.64 120.64 116.05 2g1d n GLU 44 Ca -0.02 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2g1d n GLU 44 Cb 0.57 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2g1d n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g1d n GLY 45 N -1.34 1.35 3.62 0.62 0.00 -0.49 -4.52 105.19 104.43 2g1d n GLY 45 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2g1d n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g1d s VAL 46 N -2.00 0.01 0.56 1.61 -7.23 0.19 -4.98 120.40 108.56 2g1d s VAL 46 Ca 0.00 -1.13 -0.09 0.00 -1.81 0.00 0.00 61.98 58.95 2g1d s VAL 46 Cb 0.00 -1.96 0.13 0.00 0.56 0.00 0.00 36.38 35.11 2g1d s VAL 46 CO 0.00 -0.05 0.76 0.47 -0.31 0.00 0.00 175.10 175.97 2g1d n ASP 47 N -0.38 0.15 0.17 4.85 8.00 -1.26 0.08 116.55 128.16 2g1d n ASP 47 Ca -0.05 -1.33 0.01 0.00 0.71 0.00 0.00 54.79 54.13 2g1d n ASP 47 Cb 0.61 -0.57 0.29 0.00 -0.02 0.00 0.00 41.12 41.44 2g1d n ASP 47 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2g1d h LYS 48 N 0.00 0.00 -0.35 -1.24 -0.00 -1.92 -3.06 116.57 110.00 2g1d h LYS 48 Ca -0.24 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.24 2g1d h LYS 48 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.92 2g1d h LYS 48 CO 0.18 0.46 -0.43 0.93 -0.00 0.00 0.00 179.45 180.59 2g1d h GLU 49 N 0.00 0.90 -0.36 0.07 3.07 -1.94 -3.08 114.58 113.24 2g1d h GLU 49 Ca -0.00 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2g1d h GLU 49 Cb 0.83 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2g1d h GLU 49 CO 0.06 1.15 0.00 1.28 -1.40 0.00 0.00 179.01 180.10 2g1d n LEU 50 N -4.04 0.36 -4.54 1.33 4.77 -0.83 -4.72 117.00 109.33 2g1d n LEU 50 Ca -0.03 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.36 2g1d n LEU 50 Cb 0.57 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2g1d n LEU 50 CO 0.49 0.09 0.16 -0.69 -1.33 0.00 0.00 177.39 176.11 2g1d s VAL 51 N -1.57 5.06 -0.25 4.08 1.01 -1.17 -0.58 120.40 126.98 2g1d s VAL 51 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2g1d s VAL 51 Cb 0.00 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.52 2g1d s VAL 51 CO 0.00 -0.21 0.06 -0.51 0.00 0.00 0.00 175.10 174.44 2g1d s ILE 52 N 2.27 0.66 -0.21 2.22 -1.16 -0.55 -4.91 121.20 119.52 2g1d s ILE 52 Ca 0.16 -0.92 0.01 0.00 -0.51 0.00 0.00 60.65 59.38 2g1d s ILE 52 Cb -0.16 -1.30 0.05 0.00 0.61 0.00 0.00 42.46 41.66 2g1d s ILE 52 CO 0.13 -0.42 -0.07 0.68 -2.81 0.00 0.00 174.94 172.45 2g1d s VAL 53 N 1.77 1.50 0.11 4.00 -7.23 -1.26 -1.40 120.40 117.89 2g1d s VAL 53 Ca 0.04 -1.03 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 2g1d s VAL 53 Cb -0.17 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2g1d s VAL 53 CO -0.17 0.05 -0.18 -0.62 -0.31 0.00 0.00 175.10 173.87 2g1d s ASP 54 N 1.44 3.88 0.48 4.85 -1.08 -1.26 -5.01 116.67 119.96 2g1d s ASP 54 Ca -0.03 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.46 2g1d s ASP 54 Cb -0.17 -0.55 0.00 0.00 -1.46 0.00 0.00 42.92 40.73 2g1d s ASP 54 CO -0.07 0.19 0.00 0.59 0.52 0.00 0.00 175.17 176.40 2g1d n ASN 55 N 0.90 -7.01 -3.41 -0.34 4.13 -1.26 -4.68 115.26 103.58 2g1d n ASN 55 Ca -0.16 1.46 -0.05 0.00 1.68 0.00 0.00 54.58 57.52 2g1d n ASN 55 Cb 0.53 -4.51 -0.06 0.00 -1.54 0.00 0.00 39.78 34.20 2g1d n ASN 55 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2g1d s ASN 56 N -4.88 -0.42 -0.38 6.41 -0.87 -1.26 -4.28 114.94 109.26 2g1d s ASN 56 Ca 0.00 0.72 -0.29 0.00 -1.57 0.00 0.00 52.86 51.72 2g1d s ASN 56 Cb 0.00 1.55 0.02 0.00 -0.02 0.00 0.00 41.25 42.80 2g1d s ASN 56 CO 0.00 -0.26 1.10 -1.59 -2.57 0.00 0.00 177.10 173.77 2g1d s LYS 57 N 2.68 3.94 -0.47 -0.60 -2.85 0.82 -4.75 119.74 118.51 2g1d s LYS 57 Ca 0.09 0.89 -0.19 0.00 -1.00 0.00 0.00 55.97 55.76 2g1d s LYS 57 Cb -0.14 -3.80 0.04 0.00 -2.06 0.00 0.00 37.83 31.87 2g1d s LYS 57 CO -0.17 -1.08 0.60 -1.14 0.10 0.00 0.00 175.35 173.67 2g1d s GLN 58 N 3.95 3.17 -0.23 1.78 0.74 -1.23 -2.15 119.66 125.68 2g1d s GLN 58 Ca 0.46 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 55.21 2g1d s GLN 58 Cb -0.10 -4.03 0.05 0.00 1.10 0.00 0.00 33.01 30.03 2g1d s GLN 58 CO 0.21 -1.09 -0.14 -0.48 -0.55 0.00 0.00 175.29 173.25 2g1d s LEU 59 N 2.62 2.99 0.00 3.68 -0.00 -1.26 -4.79 118.68 121.92 2g1d s LEU 59 Ca 0.17 -1.15 0.00 0.00 -0.00 0.00 0.00 54.13 53.15 2g1d s LEU 59 Cb -0.17 -1.51 0.00 0.00 -0.00 0.00 0.00 46.19 44.51 2g1d s LEU 59 CO 0.15 -0.13 0.00 1.07 -0.00 0.00 0.00 176.35 177.43 2g1d n THR 60 N 4.50 0.00 0.00 5.48 5.66 -1.26 -4.94 114.28 123.73 2g1d n THR 60 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2g1d n THR 60 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2g1d n THR 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g1d n GLY 61 N 0.00 3.20 0.00 1.09 0.00 -1.26 -4.98 105.19 103.24 2g1d n GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2g1d n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g1d n LYS 62 N -2.00 0.00 0.00 1.61 5.02 -1.26 -4.94 118.16 116.59 2g1d n LYS 62 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2g1d n LYS 62 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2g1d n LYS 62 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2g1d n HIS 63 N -0.36 0.00 -4.42 2.13 8.25 -1.26 -5.16 115.22 114.41 2g1d n HIS 63 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2g1d n HIS 63 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 2g1d n HIS 63 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2g1d s GLU 64 N 0.00 1.51 -0.09 -0.41 2.02 -1.26 -3.76 118.70 116.71 2g1d s GLU 64 Ca 0.00 -1.52 0.02 0.00 0.02 0.00 0.00 54.97 53.49 2g1d s GLU 64 Cb 0.00 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.38 2g1d s GLU 64 CO 0.00 0.40 -0.15 -1.50 0.02 0.00 0.00 175.26 174.03 2g1d s ILE 65 N -1.67 2.96 0.32 -1.63 2.07 -0.29 -4.67 121.20 118.30 2g1d s ILE 65 Ca 0.20 -0.73 0.09 0.00 -1.41 0.00 0.00 60.65 58.81 2g1d s ILE 65 Cb -0.08 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.26 2g1d s ILE 65 CO 0.10 0.56 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.95 2g1d s GLU 66 N -0.16 2.02 0.00 3.50 2.12 -0.91 -0.53 118.70 124.73 2g1d s GLU 66 Ca -0.01 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 53.59 2g1d s GLU 66 Cb -0.13 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.35 2g1d s GLU 66 CO 0.03 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 2g1d n GLY 67 N -0.89 -0.57 3.18 -1.50 0.00 -0.71 0.29 105.19 104.99 2g1d n GLY 67 Ca -0.05 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2g1d n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g1d s TYR 68 N -3.49 2.10 0.00 1.61 2.02 -1.26 -2.32 117.35 116.00 2g1d s TYR 68 Ca 0.00 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 2g1d s TYR 68 Cb 0.00 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2g1d s TYR 68 CO 0.00 -0.26 0.06 -0.08 -1.57 0.00 0.00 175.55 173.70 2g1d s THR 69 N 0.13 4.56 0.00 -0.71 -1.32 0.12 -4.44 115.64 113.99 2g1d s THR 69 Ca -0.09 -0.49 0.08 0.00 -1.21 0.00 0.00 61.69 59.99 2g1d s THR 69 Cb -0.14 -3.08 -0.02 0.00 -1.51 0.00 0.00 72.50 67.75 2g1d s THR 69 CO 0.04 0.34 -0.25 -0.75 -2.21 0.00 0.00 174.62 171.80 2g1d s LYS 70 N -1.73 1.89 0.01 7.08 2.20 -0.49 -2.45 119.74 126.25 2g1d s LYS 70 Ca 0.22 -0.94 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2g1d s LYS 70 Cb -0.12 -1.90 -0.01 0.00 -1.51 0.00 0.00 37.83 34.29 2g1d s LYS 70 CO 0.13 0.51 -0.05 0.42 -0.36 0.00 0.00 175.35 176.00 2g1d s ILE 71 N -0.65 0.37 -0.26 5.43 1.09 -1.16 -1.49 121.20 124.54 2g1d s ILE 71 Ca 0.10 -0.49 -0.03 0.00 -1.10 0.00 0.00 60.65 59.13 2g1d s ILE 71 Cb -0.10 -0.37 0.02 0.00 -1.06 0.00 0.00 42.46 40.96 2g1d s ILE 71 CO 0.00 -0.09 -0.03 -0.72 -0.10 0.00 0.00 174.94 174.00 2g1d s TYR 72 N -0.57 3.08 -1.34 3.97 -0.85 0.25 -2.85 117.35 119.04 2g1d s TYR 72 Ca -0.03 -1.43 0.26 0.00 -0.52 0.00 0.00 57.07 55.35 2g1d s TYR 72 Cb -0.05 -2.10 0.70 0.00 0.38 0.00 0.00 41.96 40.90 2g1d s TYR 72 CO -0.00 -0.69 1.54 0.00 -1.52 0.00 0.00 175.55 174.87 2g1d n ALA 73 N 4.71 3.24 1.18 9.51 0.00 -1.19 -1.97 120.51 135.99 2g1d n ALA 73 Ca -0.16 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.07 2g1d n ALA 73 Cb 0.47 -1.16 0.54 0.00 0.00 0.00 0.00 19.45 19.31 2g1d n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g1d n ASP 74 N -1.13 0.29 0.03 0.00 5.75 -1.26 -3.78 116.55 116.45 2g1d n ASP 74 Ca 0.09 -0.11 -0.13 0.00 -0.01 0.00 0.00 54.79 54.63 2g1d n ASP 74 Cb 0.34 -0.16 -0.08 0.00 -1.03 0.00 0.00 41.12 40.18 2g1d n ASP 74 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2g1d h LYS 75 N 0.21 -0.04 -0.03 0.11 3.64 -1.85 0.05 116.57 118.67 2g1d h LYS 75 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2g1d h LYS 75 Cb 0.43 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2g1d h LYS 75 CO 0.00 0.21 -0.39 -1.00 -2.27 0.00 0.00 179.45 175.99 2g1d h PRO 76 N -0.28 0.32 -0.22 1.90 0.13 -1.85 -3.09 132.00 128.91 2g1d h PRO 76 Ca -0.00 -0.30 0.04 0.00 -0.87 0.00 0.00 66.00 64.86 2g1d h PRO 76 Cb 0.26 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2g1d h PRO 76 CO 0.01 0.98 0.15 0.77 -0.23 0.00 0.00 178.00 179.68 2g1d h SER 77 N -0.23 0.10 -0.44 1.44 0.02 -1.65 -0.70 113.55 112.08 2g1d h SER 77 Ca -0.04 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2g1d h SER 77 Cb 1.09 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2g1d h SER 77 CO 0.08 0.06 -0.06 0.00 -1.14 0.00 0.00 176.83 175.77 2g1d h ALA 78 N 1.88 0.60 -0.07 3.77 0.00 -0.96 1.16 119.26 125.64 2g1d h ALA 78 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2g1d h ALA 78 Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2g1d h ALA 78 CO -0.01 0.45 -0.12 1.98 0.00 0.00 0.00 179.25 181.54 2g1d h MET 79 N 0.65 0.20 0.15 0.00 -1.53 -1.17 0.39 114.93 113.62 2g1d h MET 79 Ca 0.12 -0.13 -0.30 0.00 -3.44 0.00 0.00 59.70 55.95 2g1d h MET 79 Cb 0.58 0.01 0.03 0.00 -0.55 0.00 0.00 31.60 31.68 2g1d h MET 79 CO 0.03 0.70 -1.27 -0.07 0.14 0.00 0.00 176.91 176.45 2g1d h LEU 80 N -0.27 0.85 0.04 3.39 3.38 -1.20 -3.38 115.31 118.11 2g1d h LEU 80 Ca 0.00 -0.85 -0.36 0.00 0.09 0.00 0.00 57.88 56.76 2g1d h LEU 80 Cb 0.69 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2g1d h LEU 80 CO 0.03 1.62 -2.19 0.00 0.09 0.00 0.00 178.44 177.99 2g1d n TYR 81 N -3.81 0.54 -1.65 1.13 4.19 0.39 -5.07 117.16 112.88 2g1d n TYR 81 Ca -0.14 0.14 0.00 0.00 3.31 0.00 0.00 57.90 61.20 2g1d n TYR 81 Cb 1.00 -1.08 0.00 0.00 0.49 0.00 0.00 39.34 39.75 2g1d n TYR 81 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 2g1d n GLU 82 N -3.19 -4.10 0.00 2.98 1.02 0.14 -4.58 120.64 112.91 2g1d n GLU 82 Ca -0.34 3.04 0.08 0.00 -0.02 0.00 0.00 57.16 59.91 2g1d n GLU 82 Cb 1.05 -3.14 0.37 0.00 -0.02 0.00 0.00 31.44 29.71 2g1d n GLU 82 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2g1d n PRO 83 N 1.40 0.12 0.07 3.49 -0.04 -1.26 -2.54 135.00 136.24 2g1d n PRO 83 Ca 0.00 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 2g1d n PRO 83 Cb 0.00 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.43 2g1d n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2g1d n ASP 84 N -1.39 0.50 -3.99 3.54 8.00 -1.26 -4.24 116.55 117.71 2g1d n ASP 84 Ca 0.06 0.56 -0.31 0.00 0.71 0.00 0.00 54.79 55.81 2g1d n ASP 84 Cb 0.15 -0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 2g1d n ASP 84 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2g1d s TYR 85 N -3.10 3.44 -0.21 1.24 1.51 -1.05 -4.93 117.35 114.26 2g1d s TYR 85 Ca 0.10 -3.07 -0.11 0.00 -1.01 0.00 0.00 57.07 52.98 2g1d s TYR 85 Cb 0.14 -2.89 0.04 0.00 -0.11 0.00 0.00 41.96 39.14 2g1d s TYR 85 CO 0.52 -0.84 0.22 0.39 -1.11 0.00 0.00 175.55 174.74 2g1d n GLU 86 N 3.62 -4.51 -0.04 -0.62 4.71 -1.26 -4.92 120.64 117.61 2g1d n GLU 86 Ca 0.05 3.41 -0.16 0.00 -0.01 0.00 0.00 57.16 60.44 2g1d n GLU 86 Cb 0.37 -5.15 -0.06 0.00 -1.01 0.00 0.00 31.44 25.58 2g1d n GLU 86 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2g1d h LEU 87 N 3.98 0.95 0.00 -4.62 6.46 -1.91 -3.47 115.31 116.70 2g1d h LEU 87 Ca -0.51 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 56.66 2g1d h LEU 87 Cb 1.14 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2g1d h LEU 87 CO 0.02 1.38 0.00 0.00 -0.62 0.00 0.00 178.44 179.22 2g1d n ILE 88 N -3.98 0.00 0.00 4.05 3.06 -1.26 -5.07 119.36 116.16 2g1d n ILE 88 Ca -0.06 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 2g1d n ILE 88 Cb 0.70 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.88 2g1d n ILE 88 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2g1d n ARG 89 N -1.23 0.00 -3.08 9.51 1.74 -1.26 -4.70 116.66 117.64 2g1d n ARG 89 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2g1d n ARG 89 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 2g1d n ARG 89 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2g1d s ASN 90 N -3.92 6.54 -0.88 0.55 4.22 -1.26 -5.01 114.94 115.18 2g1d s ASN 90 Ca 0.00 1.01 -0.24 0.00 -2.14 0.00 0.00 52.86 51.48 2g1d s ASN 90 Cb 0.00 -2.27 0.05 0.00 1.28 0.00 0.00 41.25 40.31 2g1d s ASN 90 CO 0.00 -0.29 1.32 -0.83 -2.04 0.00 0.00 177.10 175.27 2g1d s GLY 91 N -2.98 1.18 0.19 0.45 0.00 -1.26 -4.99 107.32 99.91 2g1d s GLY 91 Ca 0.49 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.97 2g1d s GLY 91 CO 0.28 2.57 1.27 -2.27 0.00 0.00 0.00 173.10 174.95 2g1d s LEU 92 N 5.00 4.42 -0.37 0.66 1.98 -1.26 -5.01 118.68 124.11 2g1d s LEU 92 Ca 0.39 2.33 0.01 0.00 -2.89 0.00 0.00 54.13 53.96 2g1d s LEU 92 Cb -0.05 -3.61 0.10 0.00 0.66 0.00 0.00 46.19 43.30 2g1d s LEU 92 CO 0.01 -0.48 0.11 -0.75 -1.89 0.00 0.00 176.35 173.36 2g1d s LYS 93 N -0.07 1.75 -0.63 1.98 2.20 -1.26 -4.79 119.74 118.92 2g1d s LYS 93 Ca 0.56 -1.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.31 2g1d s LYS 93 Cb -0.35 -3.36 0.15 0.00 -1.51 0.00 0.00 37.83 32.75 2g1d s LYS 93 CO 0.37 -0.98 2.53 0.94 -0.36 0.00 0.00 175.35 177.85 2g1d n GLN 94 N 4.41 2.73 -2.95 4.03 7.27 -1.26 -4.75 117.38 126.86 2g1d n GLN 94 Ca 0.00 -2.79 -0.12 0.00 0.07 0.00 0.00 57.00 54.16 2g1d n GLN 94 Cb 0.42 -2.22 0.06 0.00 2.41 0.00 0.00 30.24 30.91 2g1d n GLN 94 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2g1d n LYS 95 N 0.53 -2.73 0.00 3.69 0.00 -1.26 -4.81 118.16 113.58 2g1d n LYS 95 Ca 0.51 0.69 0.00 0.00 0.00 0.00 0.00 58.31 59.51 2g1d n LYS 95 Cb 0.44 -5.00 0.00 0.00 0.00 0.00 0.00 35.03 30.46 2g1d n LYS 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2g1d n GLU 96 N -3.04 0.00 0.00 1.64 0.28 -1.26 -5.08 120.64 113.18 2g1d n GLU 96 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2g1d n GLU 96 Cb 0.61 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.48 2g1d n GLU 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2g1d n ALA 97 N -0.59 0.00 -0.37 -1.84 0.00 -1.26 -5.14 120.51 111.30 2g1d n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2g1d n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2g1d n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67