#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 2.90 -0.35 7.83 2.15 0.37 -4.78 116.67 124.79 2g1d s ASP 2 Ca 0.00 -0.85 -0.11 0.00 0.43 0.00 0.00 52.55 52.02 2g1d s ASP 2 Cb 0.00 -0.54 0.01 0.00 -0.30 0.00 0.00 42.92 42.08 2g1d s ASP 2 CO 0.00 -0.32 0.20 -0.22 -0.17 0.00 0.00 175.17 174.66 2g1d s LEU 3 N 1.90 4.50 -0.34 -1.34 1.98 -1.24 0.12 118.68 124.26 2g1d s LEU 3 Ca 0.00 -0.73 -0.10 0.00 -2.89 0.00 0.00 54.13 50.40 2g1d s LEU 3 Cb -0.17 -2.04 0.00 0.00 0.66 0.00 0.00 46.19 44.64 2g1d s LEU 3 CO -0.10 -0.30 0.18 0.27 -1.89 0.00 0.00 176.35 174.51 2g1d s ILE 4 N 1.61 4.68 -0.05 6.68 -0.00 0.44 -4.91 121.20 129.64 2g1d s ILE 4 Ca 0.04 -0.54 -0.00 0.00 -0.00 0.00 0.00 60.65 60.15 2g1d s ILE 4 Cb -0.18 -3.46 -0.03 0.00 -0.00 0.00 0.00 42.46 38.78 2g1d s ILE 4 CO 0.07 -0.04 -0.01 -0.51 -0.00 0.00 0.00 174.94 174.45 2g1d s ILE 5 N 1.61 4.14 -0.58 8.37 1.10 -1.26 -2.01 121.20 132.57 2g1d s ILE 5 Ca 0.04 -0.43 0.05 0.00 -0.51 0.00 0.00 60.65 59.80 2g1d s ILE 5 Cb -0.18 -2.77 0.34 0.00 0.15 0.00 0.00 42.46 40.00 2g1d s ILE 5 CO 0.07 0.51 0.95 0.29 -2.11 0.00 0.00 174.94 174.65 2g1d n LYS 6 N 1.86 3.23 -1.56 3.50 5.02 0.23 -4.94 118.16 125.50 2g1d n LYS 6 Ca -0.17 -4.86 -0.39 0.00 -2.02 0.00 0.00 58.31 50.87 2g1d n LYS 6 Cb 0.53 -2.24 0.03 0.00 -0.02 0.00 0.00 35.03 33.34 2g1d n LYS 6 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2g1d n GLU 7 N -0.23 0.90 -3.47 1.97 1.02 -1.26 -2.47 120.64 117.10 2g1d n GLU 7 Ca 0.31 0.34 -0.12 0.00 -0.02 0.00 0.00 57.16 57.66 2g1d n GLU 7 Cb 0.39 -1.96 -0.10 0.00 -0.02 0.00 0.00 31.44 29.75 2g1d n GLU 7 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2g1d s LYS 8 N -2.27 0.27 -0.04 3.49 1.02 0.17 -4.86 119.74 117.52 2g1d s LYS 8 Ca 0.69 0.51 0.05 0.00 0.02 0.00 0.00 55.97 57.24 2g1d s LYS 8 Cb -0.48 -0.57 -0.02 0.00 -0.52 0.00 0.00 37.83 36.24 2g1d s LYS 8 CO 0.53 -0.56 -0.18 -0.98 -0.92 0.00 0.00 175.35 173.24 2g1d s ARG 9 N 2.47 2.42 -0.18 1.68 1.70 -1.26 0.95 118.95 126.74 2g1d s ARG 9 Ca 0.08 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 2g1d s ARG 9 Cb -0.15 -2.28 0.04 0.00 -0.57 0.00 0.00 34.95 31.99 2g1d s ARG 9 CO -0.13 0.58 -0.08 -0.51 -1.08 0.00 0.00 175.30 174.08 2g1d s ASP 10 N -0.64 3.04 -0.26 -2.89 1.11 -0.76 -4.92 116.67 111.35 2g1d s ASP 10 Ca 0.10 -0.73 -0.01 0.00 0.18 0.00 0.00 52.55 52.09 2g1d s ASP 10 Cb -0.11 -1.07 0.04 0.00 1.07 0.00 0.00 42.92 42.85 2g1d s ASP 10 CO 0.00 -0.15 -0.05 0.54 1.18 0.00 0.00 175.17 176.69 2g1d s ASN 11 N 1.52 4.48 0.00 0.27 2.20 -1.25 -1.70 114.94 120.45 2g1d s ASN 11 Ca 0.00 -1.08 0.00 0.00 -0.94 0.00 0.00 52.86 50.85 2g1d s ASN 11 Cb -0.15 -1.65 0.00 0.00 -2.00 0.00 0.00 41.25 37.44 2g1d s ASN 11 CO -0.08 -0.18 0.00 -0.81 -2.94 0.00 0.00 177.10 173.09 2g1d n PRO 12 N 4.61 0.00 -0.02 3.55 -0.04 -1.26 -4.72 135.00 137.12 2g1d n PRO 12 Ca -0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 2g1d n PRO 12 Cb 0.45 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 1.30 -0.49 0.52 -2.65 -2.01 -3.30 117.51 110.88 2g1d h ILE 13 Ca 0.00 -1.86 0.00 0.00 1.03 0.00 0.00 64.86 64.03 2g1d h ILE 13 Cb 0.00 1.82 0.00 0.00 -2.05 0.00 0.00 36.82 36.59 2g1d h ILE 13 CO 0.00 0.59 0.00 0.00 0.03 0.00 0.00 178.15 178.77 2g1d n LEU 14 N -3.95 3.96 -3.91 0.16 -0.00 -1.26 -5.01 117.00 106.99 2g1d n LEU 14 Ca -0.05 -2.37 -0.31 0.00 -0.00 0.00 0.00 56.01 53.29 2g1d n LEU 14 Cb 0.66 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2g1d n LEU 14 CO 0.49 0.78 -0.19 2.29 -0.00 0.00 0.00 177.39 180.77 2g1d n LYS 15 N 0.69 -2.03 -3.52 1.47 0.00 -1.25 -4.50 118.16 109.03 2g1d n LYS 15 Ca 0.20 0.35 -0.38 0.00 -0.00 0.00 0.00 58.31 58.49 2g1d n LYS 15 Cb 0.72 -4.06 -0.06 0.00 -0.00 0.00 0.00 35.03 31.63 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 -6.54 4.00 0.23 -1.58 6.06 -0.69 -3.77 118.95 116.65 2g1d s ARG 16 Ca 0.22 0.30 0.09 0.00 -2.50 0.00 0.00 55.73 53.85 2g1d s ARG 16 Cb -0.09 -3.29 -0.05 0.00 0.06 0.00 0.00 34.95 31.58 2g1d s ARG 16 CO 0.90 0.53 -0.16 -1.59 -2.50 0.00 0.00 175.30 172.48 2g1d s LYS 17 N -0.52 1.44 -0.09 5.12 0.00 -1.13 -1.82 119.74 122.74 2g1d s LYS 17 Ca 0.22 -1.65 -0.00 0.00 0.00 0.00 0.00 55.97 54.54 2g1d s LYS 17 Cb -0.15 -1.32 0.02 0.00 0.00 0.00 0.00 37.83 36.38 2g1d s LYS 17 CO 0.10 0.23 -0.07 -1.21 0.00 0.00 0.00 175.35 174.40 2g1d s GLU 18 N -3.60 1.36 0.09 1.78 2.02 0.27 -2.79 118.70 117.82 2g1d s GLU 18 Ca 0.25 -0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.07 2g1d s GLU 18 Cb -0.02 -1.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.77 2g1d s GLU 18 CO 0.09 -0.21 -0.12 0.96 0.02 0.00 0.00 175.26 176.01 2g1d s ILE 19 N 1.52 1.04 -0.18 -1.63 -0.00 -0.98 0.44 121.20 121.41 2g1d s ILE 19 Ca 0.01 -1.53 -0.14 0.00 -0.00 0.00 0.00 60.65 58.98 2g1d s ILE 19 Cb -0.13 -1.27 -0.04 0.00 -0.00 0.00 0.00 42.46 41.02 2g1d s ILE 19 CO -0.05 -0.43 0.31 -0.54 -0.00 0.00 0.00 174.94 174.23 2g1d s LYS 20 N -2.40 4.21 -0.00 0.37 -0.14 -1.03 -1.20 119.74 119.54 2g1d s LYS 20 Ca 0.03 0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.73 2g1d s LYS 20 Cb -0.06 -3.48 0.00 0.00 -1.68 0.00 0.00 37.83 32.62 2g1d s LYS 20 CO 0.01 0.13 -0.00 1.52 -0.76 0.00 0.00 175.35 176.24 2g1d s TYR 21 N 0.81 0.05 -0.07 3.18 1.13 -0.62 0.76 117.35 122.60 2g1d s TYR 21 Ca 0.16 -0.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.82 2g1d s TYR 21 Cb -0.14 -0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.70 2g1d s TYR 21 CO 0.05 -0.01 -0.05 0.54 -2.51 0.00 0.00 175.55 173.57 2g1d s VAL 22 N 0.04 0.73 -0.18 -3.49 0.11 -0.85 -1.07 120.40 115.68 2g1d s VAL 22 Ca -0.00 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.84 2g1d s VAL 22 Cb -0.01 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 2g1d s VAL 22 CO -0.00 0.29 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.83 2g1d s LEU 23 N 1.37 3.28 -0.27 2.54 2.96 0.01 -0.42 118.68 128.15 2g1d s LEU 23 Ca -0.03 -0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2g1d s LEU 23 Cb -0.14 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 2g1d s LEU 23 CO -0.03 0.12 0.16 -0.54 -1.32 0.00 0.00 176.35 174.74 2g1d s LYS 24 N 0.65 3.89 -0.09 1.98 1.02 0.33 -1.65 119.74 125.86 2g1d s LYS 24 Ca -0.01 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.65 2g1d s LYS 24 Cb -0.14 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2g1d s LYS 24 CO 0.02 -0.17 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.54 2g1d s PHE 25 N 1.68 2.72 -0.31 3.18 -0.71 -1.25 0.14 117.98 123.43 2g1d s PHE 25 Ca 0.07 -0.51 -0.25 0.00 -1.04 0.00 0.00 56.93 55.19 2g1d s PHE 25 Cb -0.16 -1.74 0.01 0.00 -1.21 0.00 0.00 43.02 39.92 2g1d s PHE 25 CO 0.09 -0.09 0.89 0.16 -1.34 0.00 0.00 175.22 174.92 2g1d s ASP 26 N -0.06 6.75 -0.35 1.98 -4.77 -1.26 -4.83 116.67 114.13 2g1d s ASP 26 Ca -0.03 0.78 -0.29 0.00 -3.30 0.00 0.00 52.55 49.70 2g1d s ASP 26 Cb -0.14 -2.45 -0.08 0.00 -1.09 0.00 0.00 42.92 39.16 2g1d s ASP 26 CO 0.04 -0.71 2.29 -1.54 0.70 0.00 0.00 175.17 175.95 2g1d n SER 27 N 6.44 2.61 0.00 2.11 3.41 -1.26 -3.91 113.62 123.01 2g1d n SER 27 Ca 0.07 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2g1d n SER 27 Cb 0.48 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2g1d n SER 27 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2g1d n SER 28 N 12.28 0.00 -4.36 4.04 2.88 -1.26 -5.14 113.62 122.05 2g1d n SER 28 Ca 0.36 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.64 2g1d n SER 28 Cb 0.40 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.74 2g1d n SER 28 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2g1d s ARG 29 N 0.00 1.33 0.37 -1.46 1.81 -1.25 -5.11 118.95 114.63 2g1d s ARG 29 Ca 0.00 -1.34 -0.28 0.00 -1.72 0.00 0.00 55.73 52.39 2g1d s ARG 29 Cb 0.00 -1.67 -0.11 0.00 -0.45 0.00 0.00 34.95 32.72 2g1d s ARG 29 CO 0.00 0.38 1.44 0.99 -0.68 0.00 0.00 175.30 177.43 2g1d s THR 30 N -1.34 2.21 0.36 0.02 2.01 -1.26 -4.91 115.64 112.72 2g1d s THR 30 Ca 0.13 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.08 2g1d s THR 30 Cb -0.09 -3.13 -0.12 0.00 0.01 0.00 0.00 72.50 69.16 2g1d s THR 30 CO 0.06 0.05 0.99 -2.65 -0.69 0.00 0.00 174.62 172.38 2g1d n PRO 31 N 0.53 1.33 -2.74 4.92 -0.02 -1.26 -4.96 135.00 132.80 2g1d n PRO 31 Ca 0.01 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 2g1d n PRO 31 Cb 0.40 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 2g1d n PRO 31 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2g1d s SER 32 N -0.65 6.57 -0.02 2.55 0.01 -1.26 -5.01 113.70 115.89 2g1d s SER 32 Ca 0.61 1.28 -0.24 0.00 1.31 0.00 0.00 55.95 58.90 2g1d s SER 32 Cb -0.62 -2.38 -0.20 0.00 0.21 0.00 0.00 66.02 63.02 2g1d s SER 32 CO 0.59 -0.44 1.20 0.03 0.41 0.00 0.00 173.24 175.02 2g1d h ARG 33 N 1.23 0.14 -0.14 12.44 3.08 -1.99 -3.01 114.38 126.13 2g1d h ARG 33 Ca -0.47 -0.10 -0.22 0.00 0.07 0.00 0.00 59.98 59.26 2g1d h ARG 33 Cb 1.19 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.26 2g1d h ARG 33 CO 0.63 0.70 -0.78 0.93 -1.07 0.00 0.00 179.97 180.38 2g1d h GLU 34 N -0.39 0.77 0.03 0.04 3.07 -1.95 -1.25 114.58 114.90 2g1d h GLU 34 Ca -0.00 -0.65 0.01 0.00 -0.50 0.00 0.00 59.36 58.23 2g1d h GLU 34 Cb 0.70 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 2g1d h GLU 34 CO 0.02 1.25 -0.11 1.49 -1.40 0.00 0.00 179.01 180.26 2g1d h GLU 35 N 0.50 -0.20 0.11 2.33 4.22 -1.98 0.78 114.58 120.35 2g1d h GLU 35 Ca -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 2g1d h GLU 35 Cb 1.42 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2g1d h GLU 35 CO 0.16 -0.13 -0.05 0.97 -2.18 0.00 0.00 179.01 177.78 2g1d h ILE 36 N -0.20 0.90 -0.73 2.32 -0.00 -1.62 -2.44 117.51 115.73 2g1d h ILE 36 Ca 0.03 -1.31 -0.03 0.00 -0.00 0.00 0.00 64.86 63.54 2g1d h ILE 36 Cb 0.24 1.57 -0.03 0.00 -0.00 0.00 0.00 36.82 38.60 2g1d h ILE 36 CO -0.09 0.26 0.32 0.50 -0.00 0.00 0.00 178.15 179.14 2g1d h LYS 37 N -0.90 1.07 0.08 2.19 3.64 -1.26 0.44 116.57 121.84 2g1d h LYS 37 Ca -0.02 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2g1d h LYS 37 Cb 0.54 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2g1d h LYS 37 CO 0.03 0.86 -0.04 1.05 -2.27 0.00 0.00 179.45 179.08 2g1d h GLU 38 N 1.03 -0.10 -0.09 1.90 4.11 0.46 -2.44 114.58 119.46 2g1d h GLU 38 Ca 0.25 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.70 2g1d h GLU 38 Cb 0.17 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2g1d h GLU 38 CO -0.03 0.43 0.06 1.37 0.07 0.00 0.00 179.01 180.91 2g1d h LEU 39 N -0.91 0.02 0.30 3.06 -0.00 -1.41 0.47 115.31 116.84 2g1d h LEU 39 Ca -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2g1d h LEU 39 Cb 0.57 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2g1d h LEU 39 CO 0.02 0.01 -0.14 -0.29 -0.00 0.00 0.00 178.44 178.04 2g1d h ILE 40 N 0.02 0.69 -0.02 0.15 2.10 -0.15 -1.48 117.51 118.82 2g1d h ILE 40 Ca 0.04 -0.64 -0.01 0.00 1.08 0.00 0.00 64.86 65.32 2g1d h ILE 40 Cb 0.13 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.86 2g1d h ILE 40 CO -0.00 0.12 -0.03 0.00 -1.08 0.00 0.00 178.15 177.15 2g1d h ALA 41 N -0.25 0.03 -0.10 0.18 0.00 -1.08 0.29 119.26 118.33 2g1d h ALA 41 Ca -0.04 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2g1d h ALA 41 Cb 0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2g1d h ALA 41 CO 0.07 -0.16 -0.15 0.87 0.00 0.00 0.00 179.25 179.87 2g1d h LYS 42 N -0.47 -0.20 -0.49 0.00 1.57 0.22 0.29 116.57 117.50 2g1d h LYS 42 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2g1d h LYS 42 Cb 0.59 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2g1d h LYS 42 CO 0.01 -0.13 0.32 0.45 -0.57 0.00 0.00 179.45 179.53 2g1d h HIS 43 N -0.20 0.61 0.00 -1.35 3.86 -1.34 -1.49 115.15 115.24 2g1d h HIS 43 Ca 0.08 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2g1d h HIS 43 Cb 0.32 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2g1d h HIS 43 CO -0.25 0.38 0.86 0.93 0.86 0.00 0.00 177.93 180.71 2g1d h GLU 44 N 0.65 0.00 0.00 2.45 5.08 0.25 -3.41 114.58 119.60 2g1d h GLU 44 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2g1d h GLU 44 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2g1d h GLU 44 CO -0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 2g1d n GLY 45 N -1.44 1.40 3.59 -3.84 0.00 -0.51 -4.72 105.19 99.67 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 0.96 1.61 -7.23 0.73 -5.01 120.40 109.47 2g1d s VAL 46 Ca 0.00 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.82 2g1d s VAL 46 Cb 0.00 -1.99 0.22 0.00 0.56 0.00 0.00 36.38 35.17 2g1d s VAL 46 CO 0.00 -0.06 1.31 0.47 -0.31 0.00 0.00 175.10 176.51 2g1d n ASP 47 N -0.37 0.23 0.20 4.85 9.92 -1.26 -0.68 116.55 129.45 2g1d n ASP 47 Ca -0.04 -1.56 0.06 0.00 -0.53 0.00 0.00 54.79 52.72 2g1d n ASP 47 Cb 0.62 -0.99 0.44 0.00 -0.64 0.00 0.00 41.12 40.55 2g1d n ASP 47 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2g1d h LYS 48 N 0.00 0.00 -0.41 -1.24 -0.00 -1.90 -2.85 116.57 110.18 2g1d h LYS 48 Ca -0.42 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.10 2g1d h LYS 48 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.42 2g1d h LYS 48 CO 0.31 0.32 -0.26 0.93 -0.00 0.00 0.00 179.45 180.74 2g1d h GLU 49 N 0.00 0.86 -0.08 0.07 4.39 -1.93 -2.94 114.58 114.95 2g1d h GLU 49 Ca -0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2g1d h GLU 49 Cb 0.65 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2g1d h GLU 49 CO 0.04 1.02 0.00 1.28 -1.16 0.00 0.00 179.01 180.19 2g1d n LEU 50 N -4.09 0.08 -4.56 1.33 4.77 -0.89 -4.70 117.00 108.93 2g1d n LEU 50 Ca -0.00 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 2g1d n LEU 50 Cb 0.47 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 2g1d n LEU 50 CO 0.46 0.02 0.26 -0.69 -1.33 0.00 0.00 177.39 176.11 2g1d s VAL 51 N -1.91 4.99 -0.25 4.08 1.01 -1.11 0.03 120.40 127.24 2g1d s VAL 51 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 2g1d s VAL 51 Cb 0.00 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.46 2g1d s VAL 51 CO 0.00 -0.26 0.06 -0.51 0.00 0.00 0.00 175.10 174.39 2g1d s ILE 52 N 2.46 0.65 -0.19 2.22 1.10 0.70 -4.91 121.20 123.23 2g1d s ILE 52 Ca 0.20 -0.91 -0.00 0.00 -0.51 0.00 0.00 60.65 59.42 2g1d s ILE 52 Cb -0.15 -1.29 0.05 0.00 0.15 0.00 0.00 42.46 41.21 2g1d s ILE 52 CO 0.14 -0.42 -0.06 0.68 -2.11 0.00 0.00 174.94 173.17 2g1d s VAL 53 N 1.77 1.26 0.10 4.00 -7.23 -1.26 0.38 120.40 119.43 2g1d s VAL 53 Ca 0.03 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 59.49 2g1d s VAL 53 Cb -0.17 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 2g1d s VAL 53 CO -0.17 0.09 -0.17 -0.62 -0.31 0.00 0.00 175.10 173.92 2g1d s ASP 54 N 1.55 3.92 0.57 4.85 2.15 -1.26 -4.97 116.67 123.49 2g1d s ASP 54 Ca -0.01 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.45 2g1d s ASP 54 Cb -0.16 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.88 2g1d s ASP 54 CO -0.08 0.19 0.00 0.59 -0.17 0.00 0.00 175.17 175.70 2g1d n ASN 55 N 0.90 -8.49 -3.31 -0.34 4.13 -1.26 -4.70 115.26 102.19 2g1d n ASN 55 Ca -0.15 1.68 -0.07 0.00 1.68 0.00 0.00 54.58 57.72 2g1d n ASN 55 Cb 0.53 -4.99 -0.07 0.00 -1.54 0.00 0.00 39.78 33.71 2g1d n ASN 55 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2g1d s ASN 56 N -4.79 -0.07 -0.36 6.41 2.20 -1.26 -4.25 114.94 112.82 2g1d s ASN 56 Ca 0.00 0.32 -0.29 0.00 -0.94 0.00 0.00 52.86 51.95 2g1d s ASN 56 Cb 0.00 1.32 0.01 0.00 -2.00 0.00 0.00 41.25 40.58 2g1d s ASN 56 CO 0.00 -0.29 1.23 -1.59 -2.94 0.00 0.00 177.10 173.50 2g1d s LYS 57 N 2.61 3.86 -0.51 3.55 -2.85 0.38 -4.79 119.74 121.99 2g1d s LYS 57 Ca 0.14 1.00 -0.20 0.00 -1.00 0.00 0.00 55.97 55.91 2g1d s LYS 57 Cb -0.15 -3.87 0.05 0.00 -2.06 0.00 0.00 37.83 31.79 2g1d s LYS 57 CO -0.17 -1.20 0.70 -0.65 0.10 0.00 0.00 175.35 174.13 2g1d s GLN 58 N 4.23 3.19 -0.23 1.78 -1.52 -1.23 -2.55 119.66 123.33 2g1d s GLN 58 Ca 0.52 -0.68 0.02 0.00 -1.95 0.00 0.00 55.36 53.28 2g1d s GLN 58 Cb -0.13 -4.07 0.05 0.00 -0.22 0.00 0.00 33.01 28.64 2g1d s GLN 58 CO 0.25 -1.25 -0.12 -0.48 -0.25 0.00 0.00 175.29 173.44 2g1d s LEU 59 N 2.95 2.84 0.00 2.90 -0.00 -1.26 -4.81 118.68 121.30 2g1d s LEU 59 Ca 0.19 -1.13 0.00 0.00 -0.00 0.00 0.00 54.13 53.20 2g1d s LEU 59 Cb -0.17 -1.42 0.00 0.00 -0.00 0.00 0.00 46.19 44.60 2g1d s LEU 59 CO 0.15 -0.15 0.00 1.07 -0.00 0.00 0.00 176.35 177.41 2g1d n THR 60 N 4.55 0.00 -0.83 5.48 5.66 -1.26 -4.89 114.28 122.99 2g1d n THR 60 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 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 0.73 0.00 1.09 0.00 -1.26 -5.00 105.19 100.74 2g1d n GLY 61 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.11 0.00 -0.24 1.61 5.02 -1.26 -5.06 118.16 116.12 2g1d n LYS 62 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2g1d n LYS 62 Cb 0.10 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.11 2g1d n LYS 62 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2g1d n HIS 63 N -0.97 0.00 -4.38 2.13 -0.00 -1.26 -5.15 115.22 105.59 2g1d n HIS 63 Ca 0.00 -0.03 -0.25 0.00 0.46 0.00 0.00 57.72 57.91 2g1d n HIS 63 Cb 0.00 0.20 -0.12 0.00 -0.12 0.00 0.00 29.99 29.96 2g1d n HIS 63 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2g1d s GLU 64 N 0.00 1.40 -0.08 1.57 2.02 -1.26 -3.86 118.70 118.48 2g1d s GLU 64 Ca 0.00 -1.46 0.03 0.00 0.02 0.00 0.00 54.97 53.56 2g1d s GLU 64 Cb 0.00 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 2g1d s GLU 64 CO 0.00 0.34 -0.16 -1.50 0.02 0.00 0.00 175.26 173.97 2g1d s ILE 65 N -1.79 2.88 0.33 -1.63 2.07 -0.66 -4.74 121.20 117.66 2g1d s ILE 65 Ca 0.18 -0.76 0.10 0.00 -1.41 0.00 0.00 60.65 58.75 2g1d s ILE 65 Cb -0.07 -2.15 -0.06 0.00 0.13 0.00 0.00 42.46 40.32 2g1d s ILE 65 CO 0.08 0.56 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.93 2g1d s GLU 66 N -0.24 1.98 0.00 3.50 2.56 -1.06 -0.81 118.70 124.62 2g1d s GLU 66 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 54.97 53.20 2g1d s GLU 66 Cb -0.13 -1.87 0.00 0.00 2.00 0.00 0.00 34.13 34.13 2g1d s GLU 66 CO 0.03 0.18 0.00 0.41 -0.56 0.00 0.00 175.26 175.32 2g1d n GLY 67 N -0.87 -0.52 3.16 -1.50 0.00 -0.23 0.14 105.19 105.38 2g1d n GLY 67 Ca -0.05 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 2g1d n GLY 67 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2g1d s TYR 68 N -3.18 1.95 0.05 1.61 -0.85 -1.26 -1.58 117.35 114.10 2g1d s TYR 68 Ca 0.00 -0.62 0.05 0.00 -0.52 0.00 0.00 57.07 55.98 2g1d s TYR 68 Cb 0.00 -1.31 -0.04 0.00 0.38 0.00 0.00 41.96 40.99 2g1d s TYR 68 CO 0.00 -0.22 -0.08 0.99 -1.52 0.00 0.00 175.55 174.72 2g1d s THR 69 N 0.10 3.52 -0.04 -3.49 2.01 -0.34 -4.37 115.64 113.03 2g1d s THR 69 Ca -0.07 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.93 2g1d s THR 69 Cb -0.13 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 2g1d s THR 69 CO 0.04 0.25 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.41 2g1d s LYS 70 N -1.82 2.72 -0.00 4.92 2.20 0.16 -2.32 119.74 125.59 2g1d s LYS 70 Ca 0.20 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 2g1d s LYS 70 Cb -0.11 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 2g1d s LYS 70 CO 0.11 0.64 -0.09 0.42 -0.36 0.00 0.00 175.35 176.08 2g1d s ILE 71 N -0.92 0.69 -0.20 5.43 1.01 -1.12 -0.22 121.20 125.88 2g1d s ILE 71 Ca 0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2g1d s ILE 71 Cb -0.11 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.78 2g1d s ILE 71 CO 0.05 0.14 -0.14 -0.72 0.00 0.00 0.00 174.94 174.27 2g1d s TYR 72 N -0.32 2.87 -1.28 3.97 -0.85 0.10 -2.85 117.35 119.00 2g1d s TYR 72 Ca 0.02 -1.41 0.26 0.00 -0.52 0.00 0.00 57.07 55.42 2g1d s TYR 72 Cb -0.04 -1.99 0.65 0.00 0.38 0.00 0.00 41.96 40.96 2g1d s TYR 72 CO -0.00 -0.72 1.50 0.00 -1.52 0.00 0.00 175.55 174.82 2g1d n ALA 73 N 4.68 3.31 0.90 9.51 0.00 -1.25 -2.10 120.51 135.56 2g1d n ALA 73 Ca -0.20 -0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.02 2g1d n ALA 73 Cb 0.50 -1.15 0.38 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.19 0.39 -0.07 0.00 5.68 -1.26 -4.07 116.55 116.02 2g1d n ASP 74 Ca 0.08 0.14 -0.08 0.00 -0.50 0.00 0.00 54.79 54.43 2g1d n ASP 74 Cb 0.34 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.19 2g1d n ASP 74 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2g1d h LYS 75 N 0.00 0.26 -0.12 0.11 1.79 -1.85 -0.83 116.57 115.93 2g1d h LYS 75 Ca 0.00 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2g1d h LYS 75 Cb 0.56 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2g1d h LYS 75 CO 0.00 0.17 -0.20 -1.00 -1.08 0.00 0.00 179.45 177.34 2g1d h PRO 76 N 0.27 0.35 -0.94 3.15 0.13 -1.85 -2.07 132.00 131.05 2g1d h PRO 76 Ca 0.11 -0.22 0.06 0.00 -0.87 0.00 0.00 66.00 65.08 2g1d h PRO 76 Cb 0.04 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.13 2g1d h PRO 76 CO -0.08 0.80 0.61 0.77 -0.23 0.00 0.00 178.00 179.87 2g1d h SER 77 N -0.06 0.97 0.27 1.44 0.02 -1.71 0.40 113.55 114.88 2g1d h SER 77 Ca 0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 2g1d h SER 77 Cb 0.77 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2g1d h SER 77 CO 0.05 0.63 -0.63 0.00 -1.14 0.00 0.00 176.83 175.74 2g1d h ALA 78 N 1.48 0.75 -0.16 3.77 0.00 -1.14 -2.65 119.26 121.30 2g1d h ALA 78 Ca 0.40 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2g1d h ALA 78 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2g1d h ALA 78 CO -0.15 0.73 -0.55 1.98 0.00 0.00 0.00 179.25 181.26 2g1d h MET 79 N 0.25 0.49 -0.33 0.00 -1.53 -0.54 1.16 114.93 114.44 2g1d h MET 79 Ca -0.01 -0.31 -0.17 0.00 -3.44 0.00 0.00 59.70 55.76 2g1d h MET 79 Cb 1.16 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 32.24 2g1d h MET 79 CO 0.10 0.92 -0.47 -0.07 0.14 0.00 0.00 176.91 177.53 2g1d h LEU 80 N 0.38 0.99 -0.23 3.39 3.38 -0.92 -3.22 115.31 119.08 2g1d h LEU 80 Ca 0.01 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2g1d h LEU 80 Cb 1.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2g1d h LEU 80 CO 0.10 1.30 -0.81 0.00 0.09 0.00 0.00 178.44 179.13 2g1d n TYR 81 N -4.04 0.00 -1.65 1.13 4.19 -1.01 -5.08 117.16 110.70 2g1d n TYR 81 Ca -0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.18 2g1d n TYR 81 Cb 0.59 -0.03 0.00 0.00 0.49 0.00 0.00 39.34 40.39 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 -1.16 -4.54 0.23 2.98 1.02 0.40 -4.42 120.64 115.16 2g1d n GLU 82 Ca 0.06 3.28 0.11 0.00 -0.02 0.00 0.00 57.16 60.59 2g1d n GLU 82 Cb 0.36 -3.56 0.50 0.00 -0.02 0.00 0.00 31.44 28.72 2g1d n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2g1d h PRO 83 N 2.88 0.00 -0.54 3.49 0.13 -1.90 -2.77 132.00 133.29 2g1d h PRO 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2g1d h PRO 83 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2g1d h PRO 83 CO 0.00 0.17 0.00 -3.47 -0.23 0.00 0.00 178.00 174.47 2g1d n ASP 84 N -3.33 2.81 -4.76 1.44 2.03 -1.26 -4.88 116.55 108.61 2g1d n ASP 84 Ca 0.00 -2.18 -0.36 0.00 0.52 0.00 0.00 54.79 52.78 2g1d n ASP 84 Cb 0.41 -0.39 -0.08 0.00 -0.72 0.00 0.00 41.12 40.33 2g1d n ASP 84 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2g1d s TYR 85 N -1.62 3.34 -0.48 -0.67 6.14 -1.05 -5.02 117.35 117.99 2g1d s TYR 85 Ca 0.30 0.32 -0.26 0.00 0.64 0.00 0.00 57.07 58.07 2g1d s TYR 85 Cb 0.18 -1.87 -0.07 0.00 0.42 0.00 0.00 41.96 40.63 2g1d s TYR 85 CO 0.16 0.55 2.40 -1.21 0.64 0.00 0.00 175.55 178.10 2g1d s GLU 86 N -0.86 2.13 -0.00 4.97 2.02 -1.26 -4.78 118.70 120.92 2g1d s GLU 86 Ca 0.13 1.42 -0.06 0.00 0.02 0.00 0.00 54.97 56.48 2g1d s GLU 86 Cb -0.12 -4.58 -0.29 0.00 0.10 0.00 0.00 34.13 29.24 2g1d s GLU 86 CO 0.03 -3.25 0.83 1.25 0.02 0.00 0.00 175.26 174.15 2g1d h LEU 87 N 19.47 0.48 0.00 1.80 6.46 -1.93 -3.47 115.31 138.12 2g1d h LEU 87 Ca -0.25 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 56.85 2g1d h LEU 87 Cb 1.27 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2g1d h LEU 87 CO 1.15 1.55 0.00 0.00 -0.62 0.00 0.00 178.44 180.52 2g1d n ILE 88 N -3.51 0.00 -2.81 4.05 0.13 -1.26 -5.09 119.36 110.87 2g1d n ILE 88 Ca -0.18 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.40 2g1d n ILE 88 Cb 1.06 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.86 2g1d n ILE 88 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2g1d n ARG 89 N -1.32 -2.48 0.00 9.51 1.74 -1.26 -4.93 116.66 117.92 2g1d n ARG 89 Ca 0.00 2.18 0.00 0.00 -0.77 0.00 0.00 57.85 59.26 2g1d n ARG 89 Cb 0.00 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 25.87 2g1d n ARG 89 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2g1d n ASN 90 N -0.18 0.00 0.00 0.55 5.15 -1.26 -5.17 115.26 114.35 2g1d n ASN 90 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2g1d n ASN 90 Cb 0.39 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2g1d n ASN 90 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g1d n GLY 91 N -0.71 0.33 3.96 8.20 0.00 -1.26 -5.04 105.19 110.68 2g1d n GLY 91 Ca 0.00 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 43.89 2g1d n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g1d s LEU 92 N -0.79 3.68 -0.45 0.99 2.01 -1.26 -5.07 118.68 117.78 2g1d s LEU 92 Ca 0.00 -0.44 0.06 0.00 0.01 0.00 0.00 54.13 53.76 2g1d s LEU 92 Cb 0.00 -2.51 0.32 0.00 0.01 0.00 0.00 46.19 44.01 2g1d s LEU 92 CO 0.00 -0.61 1.15 2.29 1.01 0.00 0.00 176.35 180.19 2g1d n LYS 93 N -1.69 0.98 -2.04 1.70 2.85 -1.26 -4.80 118.16 113.91 2g1d n LYS 93 Ca 0.04 -1.85 -0.37 0.00 -1.05 0.00 0.00 58.31 55.08 2g1d n LYS 93 Cb 0.59 -0.92 -0.00 0.00 -0.65 0.00 0.00 35.03 34.06 2g1d n LYS 93 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2g1d n GLN 94 N 0.30 3.92 -0.92 -1.58 -0.06 -1.26 -4.67 117.38 113.12 2g1d n GLN 94 Ca 0.05 -3.55 0.00 0.00 -2.00 0.00 0.00 57.00 51.50 2g1d n GLN 94 Cb 0.71 -2.39 0.00 0.00 -4.06 0.00 0.00 30.24 24.50 2g1d n GLN 94 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2g1d n LYS 95 N 0.54 -0.12 0.00 3.69 4.81 -1.26 -4.90 118.16 120.92 2g1d n LYS 95 Ca 0.53 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2g1d n LYS 95 Cb 0.32 -3.07 0.00 0.00 0.02 0.00 0.00 35.03 32.30 2g1d n LYS 95 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2g1d n GLU 96 N -2.04 0.00 0.14 1.64 2.13 -1.26 -5.02 120.64 116.23 2g1d n GLU 96 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2g1d n GLU 96 Cb 0.03 0.00 0.22 0.00 0.27 0.00 0.00 31.44 31.96 2g1d n GLU 96 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2g1d h ALA 97 N 0.00 1.08 0.00 4.31 0.00 -1.90 -3.44 119.26 119.30 2g1d h ALA 97 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2g1d h ALA 97 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2g1d h ALA 97 CO 0.00 0.68 0.00 1.17 0.00 0.00 0.00 179.25 181.10