#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 0.99 -0.26 3.17 -1.08 0.64 -4.73 116.67 115.41 2g1d s ASP 2 Ca 0.00 -0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 51.50 2g1d s ASP 2 Cb 0.00 0.01 0.04 0.00 -1.46 0.00 0.00 42.92 41.51 2g1d s ASP 2 CO 0.00 -0.15 -0.06 -0.22 0.52 0.00 0.00 175.17 175.25 2g1d s LEU 3 N -1.47 3.34 -0.32 -1.34 1.98 -1.25 0.13 118.68 119.74 2g1d s LEU 3 Ca -0.07 -1.03 -0.04 0.00 -2.89 0.00 0.00 54.13 50.10 2g1d s LEU 3 Cb -0.09 -1.65 0.05 0.00 0.66 0.00 0.00 46.19 45.16 2g1d s LEU 3 CO 0.01 -0.16 0.06 -0.63 -1.89 0.00 0.00 176.35 173.73 2g1d s ILE 4 N 1.28 3.37 0.01 6.68 -1.09 0.83 -4.92 121.20 127.35 2g1d s ILE 4 Ca -0.02 -1.31 0.05 0.00 -2.23 0.00 0.00 60.65 57.14 2g1d s ILE 4 Cb -0.18 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 2g1d s ILE 4 CO -0.04 -0.17 -0.14 0.27 -1.23 0.00 0.00 174.94 173.63 2g1d s ILE 5 N 1.32 3.12 -0.59 2.92 -5.25 -1.26 -0.53 121.20 120.93 2g1d s ILE 5 Ca -0.03 -0.94 0.05 0.00 -0.99 0.00 0.00 60.65 58.74 2g1d s ILE 5 Cb -0.20 -2.31 0.34 0.00 2.95 0.00 0.00 42.46 43.24 2g1d s ILE 5 CO 0.01 0.42 0.95 1.17 -1.79 0.00 0.00 174.94 175.69 2g1d n LYS 6 N 1.73 3.24 -2.18 0.37 0.00 0.17 -4.97 118.16 116.52 2g1d n LYS 6 Ca -0.16 -4.86 -0.41 0.00 0.00 0.00 0.00 58.31 52.88 2g1d n LYS 6 Cb 0.52 -2.24 -0.03 0.00 0.00 0.00 0.00 35.03 33.28 2g1d n LYS 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2g1d s GLU 7 N -3.44 4.37 -0.04 1.64 8.01 -1.25 -2.04 118.70 125.95 2g1d s GLU 7 Ca 0.48 2.10 0.00 0.00 0.01 0.00 0.00 54.97 57.57 2g1d s GLU 7 Cb 0.27 -3.17 0.02 0.00 -4.31 0.00 0.00 34.13 26.95 2g1d s GLU 7 CO -0.13 -0.26 -0.02 0.15 0.01 0.00 0.00 175.26 175.01 2g1d s LYS 8 N -0.36 0.57 -0.04 1.61 1.02 -0.50 -4.91 119.74 117.13 2g1d s LYS 8 Ca 0.56 0.01 0.03 0.00 0.02 0.00 0.00 55.97 56.59 2g1d s LYS 8 Cb -0.37 -0.71 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 2g1d s LYS 8 CO 0.41 -0.14 -0.13 -0.98 -0.92 0.00 0.00 175.35 173.59 2g1d s ARG 9 N 1.14 1.40 -0.18 1.68 1.70 -1.26 0.58 118.95 124.02 2g1d s ARG 9 Ca -0.08 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 2g1d s ARG 9 Cb -0.14 -1.24 0.04 0.00 -0.57 0.00 0.00 34.95 33.04 2g1d s ARG 9 CO -0.01 0.15 -0.08 0.34 -1.08 0.00 0.00 175.30 174.62 2g1d s ASP 10 N 0.21 3.03 -0.25 -2.89 -1.08 -0.88 -4.93 116.67 109.88 2g1d s ASP 10 Ca -0.05 -0.73 0.01 0.00 -0.52 0.00 0.00 52.55 51.26 2g1d s ASP 10 Cb -0.11 -1.07 0.05 0.00 -1.46 0.00 0.00 42.92 40.33 2g1d s ASP 10 CO 0.02 -0.15 -0.09 0.54 0.52 0.00 0.00 175.17 176.00 2g1d s ASN 11 N 1.52 4.33 0.00 -0.34 4.22 -1.25 -1.74 114.94 121.68 2g1d s ASN 11 Ca 0.00 -1.19 0.00 0.00 -2.14 0.00 0.00 52.86 49.54 2g1d s ASN 11 Cb -0.15 -1.59 0.00 0.00 1.28 0.00 0.00 41.25 40.79 2g1d s ASN 11 CO -0.08 -0.17 0.00 -0.81 -2.04 0.00 0.00 177.10 174.00 2g1d n PRO 12 N 4.53 0.00 -0.03 3.55 -0.04 -1.26 -4.71 135.00 137.04 2g1d n PRO 12 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 2g1d n PRO 12 Cb 0.44 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.88 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 1.29 -0.05 0.52 -2.65 -2.02 -3.27 117.51 111.34 2g1d h ILE 13 Ca 0.00 -1.85 0.00 0.00 1.03 0.00 0.00 64.86 64.04 2g1d h ILE 13 Cb 0.00 1.80 0.00 0.00 -2.05 0.00 0.00 36.82 36.57 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 -3.96 2.64 -3.47 0.16 -0.00 -1.26 -5.00 117.00 106.11 2g1d n LEU 14 Ca -0.05 -0.90 -0.19 0.00 -0.00 0.00 0.00 56.01 54.87 2g1d n LEU 14 Cb 0.67 -0.02 0.06 0.00 -0.00 0.00 0.00 43.42 44.13 2g1d n LEU 14 CO 0.50 0.45 0.02 0.29 -0.00 0.00 0.00 177.39 178.66 2g1d n LYS 15 N 1.06 -4.28 -3.94 1.47 4.01 -1.23 -4.23 118.16 111.02 2g1d n LYS 15 Ca 0.16 0.75 -0.35 0.00 -0.51 0.00 0.00 58.31 58.36 2g1d n LYS 15 Cb 0.54 -5.50 -0.09 0.00 -0.51 0.00 0.00 35.03 29.47 2g1d n LYS 15 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2g1d s ARG 16 N -5.29 3.93 0.19 1.97 3.52 -0.71 -2.40 118.95 120.16 2g1d s ARG 16 Ca 0.19 -0.29 0.11 0.00 -0.13 0.00 0.00 55.73 55.61 2g1d s ARG 16 Cb -0.04 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2g1d s ARG 16 CO 0.77 0.36 -0.23 -1.59 -0.81 0.00 0.00 175.30 173.79 2g1d s LYS 17 N 0.16 1.49 -0.20 5.12 -2.85 -1.14 -2.06 119.74 120.25 2g1d s LYS 17 Ca 0.06 -1.52 -0.01 0.00 -1.00 0.00 0.00 55.97 53.50 2g1d s LYS 17 Cb -0.12 -1.77 0.06 0.00 -2.06 0.00 0.00 37.83 33.94 2g1d s LYS 17 CO -0.00 0.38 -0.01 -1.21 0.10 0.00 0.00 175.35 174.61 2g1d s GLU 18 N -2.72 1.11 0.06 1.78 2.02 0.20 -2.86 118.70 118.30 2g1d s GLU 18 Ca 0.20 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.63 2g1d s GLU 18 Cb -0.08 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 2g1d s GLU 18 CO 0.10 -0.58 -0.13 0.96 0.02 0.00 0.00 175.26 175.62 2g1d s ILE 19 N 1.67 1.04 -0.12 -1.63 -0.00 -0.78 -1.41 121.20 119.97 2g1d s ILE 19 Ca -0.02 -1.23 -0.10 0.00 -0.00 0.00 0.00 60.65 59.30 2g1d s ILE 19 Cb -0.17 -1.00 -0.05 0.00 -0.00 0.00 0.00 42.46 41.24 2g1d s ILE 19 CO -0.07 -0.21 0.20 -1.59 -0.00 0.00 0.00 174.94 173.27 2g1d s LYS 20 N -1.63 3.76 0.02 0.37 0.00 -0.87 0.41 119.74 121.81 2g1d s LYS 20 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 55.97 55.89 2g1d s LYS 20 Cb -0.10 -3.27 -0.01 0.00 0.00 0.00 0.00 37.83 34.45 2g1d s LYS 20 CO 0.02 0.61 0.02 1.52 0.00 0.00 0.00 175.35 177.52 2g1d s TYR 21 N -0.58 0.19 -0.03 1.78 1.13 -1.00 0.42 117.35 119.27 2g1d s TYR 21 Ca 0.15 -0.41 0.03 0.00 -1.41 0.00 0.00 57.07 55.43 2g1d s TYR 21 Cb -0.13 -0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.59 2g1d s TYR 21 CO 0.04 -0.22 -0.12 0.54 -2.51 0.00 0.00 175.55 173.29 2g1d s VAL 22 N -1.45 0.97 -0.21 -3.49 0.11 0.31 -0.15 120.40 116.50 2g1d s VAL 22 Ca -0.16 -0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 58.37 2g1d s VAL 22 Cb -0.09 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2g1d s VAL 22 CO -0.00 0.29 0.01 -0.22 -3.33 0.00 0.00 175.10 171.85 2g1d s LEU 23 N 0.11 3.23 -0.31 2.54 2.96 0.99 -0.12 118.68 128.08 2g1d s LEU 23 Ca -0.03 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.54 2g1d s LEU 23 Cb -0.09 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2g1d s LEU 23 CO 0.01 0.03 0.20 -0.54 -1.32 0.00 0.00 176.35 174.73 2g1d s LYS 24 N 1.21 3.60 -0.08 1.98 1.02 0.34 -1.16 119.74 126.64 2g1d s LYS 24 Ca 0.03 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.50 2g1d s LYS 24 Cb -0.15 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 2g1d s LYS 24 CO 0.01 -0.35 -0.19 -0.59 -0.92 0.00 0.00 175.35 173.31 2g1d s PHE 25 N 1.71 2.62 0.19 3.18 -0.12 -1.25 0.23 117.98 124.54 2g1d s PHE 25 Ca 0.06 -0.63 0.07 0.00 -0.05 0.00 0.00 56.93 56.38 2g1d s PHE 25 Cb -0.17 -1.69 -0.04 0.00 -0.63 0.00 0.00 43.02 40.49 2g1d s PHE 25 CO 0.09 -0.16 0.07 0.16 -0.05 0.00 0.00 175.22 175.34 2g1d s ASP 26 N -0.06 5.10 0.55 1.98 1.47 -1.26 -4.67 116.67 119.78 2g1d s ASP 26 Ca -0.05 -0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.37 2g1d s ASP 26 Cb -0.14 -1.20 0.00 0.00 -0.34 0.00 0.00 42.92 41.24 2g1d s ASP 26 CO 0.04 0.06 0.00 -0.24 0.68 0.00 0.00 175.17 175.71 2g1d n SER 27 N -0.42 -2.24 -4.47 2.11 2.88 -1.26 -4.30 113.62 105.92 2g1d n SER 27 Ca -0.09 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.01 2g1d n SER 27 Cb 0.56 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 2g1d n SER 27 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2g1d n SER 28 N -3.45 1.26 -4.61 -3.46 7.64 -1.26 -4.81 113.62 104.92 2g1d n SER 28 Ca 0.00 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 2g1d n SER 28 Cb 0.00 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.02 2g1d n SER 28 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2g1d s ARG 29 N 7.79 3.62 -0.24 1.43 3.00 -1.26 -4.98 118.95 128.30 2g1d s ARG 29 Ca 1.19 1.34 0.02 0.00 -1.00 0.00 0.00 55.73 57.28 2g1d s ARG 29 Cb -0.94 -4.06 0.05 0.00 0.00 0.00 0.00 34.95 29.99 2g1d s ARG 29 CO 0.46 -1.51 -0.12 -0.08 0.00 0.00 0.00 175.30 174.05 2g1d s THR 30 N 5.64 2.29 0.15 4.11 -1.32 -1.26 -5.09 115.64 120.16 2g1d s THR 30 Ca 0.69 -1.37 -0.32 0.00 -1.21 0.00 0.00 61.69 59.48 2g1d s THR 30 Cb -0.20 -2.23 -0.12 0.00 -1.51 0.00 0.00 72.50 68.44 2g1d s THR 30 CO 0.31 0.13 1.77 -0.81 -2.21 0.00 0.00 174.62 173.81 2g1d n PRO 31 N 4.52 2.72 -4.21 7.08 -0.04 -1.26 -5.00 135.00 138.81 2g1d n PRO 31 Ca -0.16 0.98 -0.28 0.00 -0.04 0.00 0.00 63.50 64.00 2g1d n PRO 31 Cb 0.45 -2.85 -0.09 0.00 -0.04 0.00 0.00 33.50 30.97 2g1d n PRO 31 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2g1d s SER 32 N 1.99 4.61 -0.07 3.54 0.15 -1.26 -5.05 113.70 117.60 2g1d s SER 32 Ca 0.79 -0.39 -0.26 0.00 0.70 0.00 0.00 55.95 56.79 2g1d s SER 32 Cb -0.51 -0.94 -0.21 0.00 -1.71 0.00 0.00 66.02 62.65 2g1d s SER 32 CO 0.36 0.13 1.00 0.08 1.20 0.00 0.00 173.24 176.01 2g1d h ARG 33 N 3.12 -0.03 0.00 5.44 0.11 -1.99 -3.20 114.38 117.83 2g1d h ARG 33 Ca -0.48 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.61 2g1d h ARG 33 Cb 1.19 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2g1d h ARG 33 CO 0.56 0.63 -0.00 0.93 0.10 0.00 0.00 179.97 182.18 2g1d h GLU 34 N -0.74 -0.00 0.13 0.08 5.08 -1.96 -3.00 114.58 114.16 2g1d h GLU 34 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2g1d h GLU 34 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2g1d h GLU 34 CO 0.01 0.80 -0.17 0.93 -1.00 0.00 0.00 179.01 179.57 2g1d h GLU 35 N -0.82 -0.34 0.13 2.33 4.39 -1.96 0.31 114.58 118.62 2g1d h GLU 35 Ca -0.00 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2g1d h GLU 35 Cb 0.80 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2g1d h GLU 35 CO 0.00 -0.23 -0.06 0.97 -1.16 0.00 0.00 179.01 178.53 2g1d h ILE 36 N -0.35 0.75 0.34 3.13 -0.00 -1.73 -2.34 117.51 117.30 2g1d h ILE 36 Ca 0.01 -1.24 -0.02 0.00 -0.00 0.00 0.00 64.86 63.62 2g1d h ILE 36 Cb 0.35 1.31 0.00 0.00 -0.00 0.00 0.00 36.82 38.49 2g1d h ILE 36 CO -0.07 0.22 -0.16 0.11 -0.00 0.00 0.00 178.15 178.24 2g1d h LYS 37 N -0.93 -0.44 -0.34 2.19 1.57 -1.61 0.55 116.57 117.56 2g1d h LYS 37 Ca -0.02 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2g1d h LYS 37 Cb 0.49 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2g1d h LYS 37 CO 0.03 -0.19 -0.25 1.05 -0.57 0.00 0.00 179.45 179.52 2g1d h GLU 38 N -0.61 0.68 0.00 3.15 4.11 -0.47 0.15 114.58 121.58 2g1d h GLU 38 Ca -0.05 -0.27 -0.15 0.00 0.07 0.00 0.00 59.36 58.96 2g1d h GLU 38 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2g1d h GLU 38 CO 0.08 0.86 -0.74 1.25 0.07 0.00 0.00 179.01 180.53 2g1d h LEU 39 N 0.59 0.00 0.06 3.06 6.46 -1.17 -2.37 115.31 121.93 2g1d h LEU 39 Ca 0.08 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2g1d h LEU 39 Cb 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2g1d h LEU 39 CO 0.06 0.74 -0.03 0.16 -0.62 0.00 0.00 178.44 178.75 2g1d h ILE 40 N 0.00 1.14 -0.21 4.05 3.07 0.45 -3.07 117.51 122.94 2g1d h ILE 40 Ca -0.01 -1.59 -0.04 0.00 1.55 0.00 0.00 64.86 64.77 2g1d h ILE 40 Cb 1.32 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 39.92 2g1d h ILE 40 CO 0.10 0.35 -0.03 0.00 -1.05 0.00 0.00 178.15 177.51 2g1d h ALA 41 N -0.21 0.29 -0.19 0.16 0.00 -0.82 1.08 119.26 119.57 2g1d h ALA 41 Ca -0.01 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2g1d h ALA 41 Cb 0.63 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2g1d h ALA 41 CO 0.01 0.05 -0.11 0.87 0.00 0.00 0.00 179.25 180.07 2g1d h LYS 42 N 0.14 -0.09 -0.36 0.00 1.57 -0.21 0.62 116.57 118.23 2g1d h LYS 42 Ca 0.06 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2g1d h LYS 42 Cb 0.46 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2g1d h LYS 42 CO 0.02 -0.06 0.00 0.45 -0.57 0.00 0.00 179.45 179.29 2g1d h HIS 43 N -0.10 0.69 0.00 -1.35 3.86 -1.52 -2.37 115.15 114.37 2g1d h HIS 43 Ca 0.11 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2g1d h HIS 43 Cb 0.26 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2g1d h HIS 43 CO -0.26 0.73 0.50 0.39 0.86 0.00 0.00 177.93 180.15 2g1d n GLU 44 N -4.50 0.04 0.00 2.45 1.02 0.37 -4.54 120.64 115.49 2g1d n GLU 44 Ca -0.02 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2g1d n GLU 44 Cb 0.27 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 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 -1.23 1.50 3.66 0.62 0.00 -0.48 -4.63 105.19 104.62 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 0.60 1.61 -7.23 0.20 -5.00 120.40 108.58 2g1d s VAL 46 Ca 0.00 -1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 58.88 2g1d s VAL 46 Cb 0.00 -2.05 0.14 0.00 0.56 0.00 0.00 36.38 35.03 2g1d s VAL 46 CO 0.00 -0.02 0.81 0.47 -0.31 0.00 0.00 175.10 176.05 2g1d n ASP 47 N -0.40 0.13 0.20 4.85 9.92 -1.26 -0.47 116.55 129.52 2g1d n ASP 47 Ca -0.04 -1.33 0.05 0.00 -0.53 0.00 0.00 54.79 52.94 2g1d n ASP 47 Cb 0.61 -0.61 0.41 0.00 -0.64 0.00 0.00 41.12 40.89 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 0.07 -1.24 -0.00 -1.91 -3.13 116.57 110.36 2g1d h LYS 48 Ca -0.26 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 60.11 2g1d h LYS 48 Cb 0.74 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 32.99 2g1d h LYS 48 CO 0.19 0.34 -1.15 0.93 -0.00 0.00 0.00 179.45 179.76 2g1d h GLU 49 N 0.00 0.61 -0.72 0.07 4.39 -1.94 -3.24 114.58 113.76 2g1d h GLU 49 Ca -0.00 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 58.95 2g1d h GLU 49 Cb 0.71 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2g1d h GLU 49 CO 0.04 1.33 0.00 1.28 -1.16 0.00 0.00 179.01 180.50 2g1d n LEU 50 N -3.79 0.72 -4.54 1.33 4.77 -1.11 -4.74 117.00 109.64 2g1d n LEU 50 Ca -0.12 -0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.09 2g1d n LEU 50 Cb 0.94 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 2g1d n LEU 50 CO 0.57 0.18 0.09 -0.69 -1.33 0.00 0.00 177.39 176.20 2g1d s VAL 51 N -1.08 5.12 -0.25 4.08 1.01 -1.23 -0.81 120.40 127.25 2g1d s VAL 51 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2g1d s VAL 51 Cb 0.00 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.57 2g1d s VAL 51 CO 0.00 -0.17 0.05 -0.51 0.00 0.00 0.00 175.10 174.47 2g1d s ILE 52 N 2.11 0.78 -0.21 2.22 -1.16 -0.27 -4.89 121.20 119.79 2g1d s ILE 52 Ca 0.13 -1.02 0.01 0.00 -0.51 0.00 0.00 60.65 59.27 2g1d s ILE 52 Cb -0.16 -1.40 0.05 0.00 0.61 0.00 0.00 42.46 41.55 2g1d s ILE 52 CO 0.12 -0.42 -0.09 0.68 -2.81 0.00 0.00 174.94 172.43 2g1d s VAL 53 N 1.70 1.61 -0.06 4.00 -7.23 -1.26 -1.43 120.40 117.73 2g1d s VAL 53 Ca 0.03 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 2g1d s VAL 53 Cb -0.17 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 2g1d s VAL 53 CO -0.16 0.09 -0.17 -1.81 -0.31 0.00 0.00 175.10 172.74 2g1d s ASP 54 N 1.39 3.79 0.58 4.85 1.01 -1.26 -5.01 116.67 122.02 2g1d s ASP 54 Ca -0.03 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.94 2g1d s ASP 54 Cb -0.17 -0.94 0.00 0.00 1.01 0.00 0.00 42.92 42.82 2g1d s ASP 54 CO -0.07 0.29 0.00 -3.20 0.21 0.00 0.00 175.17 172.40 2g1d n ASN 55 N 2.64 -9.10 -3.46 0.27 5.15 -1.26 -4.81 115.26 104.69 2g1d n ASN 55 Ca -0.17 1.47 -0.09 0.00 -0.60 0.00 0.00 54.58 55.19 2g1d n ASN 55 Cb 0.52 -5.26 -0.09 0.00 -0.53 0.00 0.00 39.78 34.43 2g1d n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2g1d s ASN 56 N -3.95 0.07 0.57 1.20 6.03 -1.26 -4.44 114.94 113.16 2g1d s ASN 56 Ca 0.00 0.50 -0.15 0.00 -1.03 0.00 0.00 52.86 52.18 2g1d s ASN 56 Cb 0.00 1.18 -0.05 0.00 -3.03 0.00 0.00 41.25 39.35 2g1d s ASN 56 CO 0.00 -0.27 1.02 -1.59 -2.03 0.00 0.00 177.10 174.23 2g1d s LYS 57 N 2.56 3.63 -0.27 3.55 -2.85 -1.18 -4.88 119.74 120.31 2g1d s LYS 57 Ca 0.08 1.01 0.02 0.00 -1.00 0.00 0.00 55.97 56.07 2g1d s LYS 57 Cb -0.14 -2.08 0.07 0.00 -2.06 0.00 0.00 37.83 33.61 2g1d s LYS 57 CO -0.14 -0.54 -0.04 -1.14 0.10 0.00 0.00 175.35 173.58 2g1d s GLN 58 N -4.29 1.71 -0.24 1.78 0.74 -1.25 -0.21 119.66 117.91 2g1d s GLN 58 Ca 0.60 -1.27 0.02 0.00 0.05 0.00 0.00 55.36 54.76 2g1d s GLN 58 Cb -0.12 -2.75 0.05 0.00 1.10 0.00 0.00 33.01 31.29 2g1d s GLN 58 CO 0.38 -0.68 -0.12 -0.48 -0.55 0.00 0.00 175.29 173.83 2g1d s LEU 59 N 1.23 3.03 0.00 3.68 2.34 -1.26 -4.89 118.68 122.82 2g1d s LEU 59 Ca -0.02 -1.19 0.00 0.00 0.06 0.00 0.00 54.13 52.97 2g1d s LEU 59 Cb -0.19 -1.49 0.00 0.00 -0.56 0.00 0.00 46.19 43.95 2g1d s LEU 59 CO -0.08 -0.15 0.00 1.07 -1.06 0.00 0.00 176.35 176.13 2g1d n THR 60 N 4.50 0.00 -0.04 5.48 5.66 -1.26 -4.70 114.28 123.93 2g1d n THR 60 Ca -0.15 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.83 2g1d n THR 60 Cb 0.44 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.14 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 -0.88 -0.50 0.00 1.09 0.00 -1.26 -4.83 105.19 98.82 2g1d n GLY 61 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.23 0.00 0.00 1.61 5.02 -1.26 -5.00 118.16 116.30 2g1d n LYS 62 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2g1d n LYS 62 Cb 0.67 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 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 -4.39 2.13 8.25 -1.26 -5.15 115.22 114.44 2g1d n HIS 63 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 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 1.41 -0.16 -0.41 2.02 -1.26 -3.77 118.70 116.53 2g1d s GLU 64 Ca 0.00 -1.44 -0.00 0.00 0.02 0.00 0.00 54.97 53.55 2g1d s GLU 64 Cb 0.00 -1.70 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 2g1d s GLU 64 CO 0.00 0.37 -0.13 -1.50 0.02 0.00 0.00 175.26 174.02 2g1d s ILE 65 N -1.60 2.85 -0.12 -1.63 2.07 -0.31 -4.18 121.20 118.27 2g1d s ILE 65 Ca 0.17 -0.71 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 2g1d s ILE 65 Cb -0.08 -2.21 0.00 0.00 0.13 0.00 0.00 42.46 40.30 2g1d s ILE 65 CO 0.08 0.51 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.71 2g1d s GLU 66 N 0.79 3.11 0.00 3.50 2.12 0.70 -0.00 118.70 128.93 2g1d s GLU 66 Ca -0.05 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.45 2g1d s GLU 66 Cb -0.15 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.81 2g1d s GLU 66 CO 0.01 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2g1d n GLY 67 N 3.76 4.42 3.19 -1.50 0.00 0.78 -3.12 105.19 112.72 2g1d n GLY 67 Ca -0.19 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 1.32 2.07 0.03 1.61 1.13 -1.26 -2.36 117.35 119.89 2g1d s TYR 68 Ca 0.00 -0.65 0.05 0.00 -1.41 0.00 0.00 57.07 55.06 2g1d s TYR 68 Cb 0.00 -1.38 -0.03 0.00 -1.10 0.00 0.00 41.96 39.44 2g1d s TYR 68 CO 0.00 -0.22 -0.09 -0.08 -2.51 0.00 0.00 175.55 172.65 2g1d s THR 69 N 0.04 3.46 0.03 -3.49 -1.32 0.17 -4.51 115.64 110.02 2g1d s THR 69 Ca -0.06 -0.95 0.06 0.00 -1.21 0.00 0.00 61.69 59.53 2g1d s THR 69 Cb -0.13 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2g1d s THR 69 CO 0.04 0.32 -0.17 -0.75 -2.21 0.00 0.00 174.62 171.85 2g1d s LYS 70 N -1.61 1.17 0.02 7.08 2.20 -0.51 -1.87 119.74 126.21 2g1d s LYS 70 Ca 0.18 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2g1d s LYS 70 Cb -0.11 -1.21 -0.01 0.00 -1.51 0.00 0.00 37.83 34.99 2g1d s LYS 70 CO 0.09 0.31 -0.06 0.42 -0.36 0.00 0.00 175.35 175.75 2g1d s ILE 71 N -0.75 0.43 -0.33 5.43 1.09 -1.13 -1.11 121.20 124.83 2g1d s ILE 71 Ca 0.05 -0.62 -0.08 0.00 -1.10 0.00 0.00 60.65 58.90 2g1d s ILE 71 Cb -0.08 -0.44 0.02 0.00 -1.06 0.00 0.00 42.46 40.91 2g1d s ILE 71 CO 0.01 -0.14 0.13 -0.72 -0.10 0.00 0.00 174.94 174.12 2g1d s TYR 72 N -0.73 3.22 -1.89 3.97 1.13 0.01 -2.88 117.35 120.18 2g1d s TYR 72 Ca -0.04 -1.12 0.27 0.00 -1.41 0.00 0.00 57.07 54.77 2g1d s TYR 72 Cb -0.06 -2.32 0.97 0.00 -1.10 0.00 0.00 41.96 39.45 2g1d s TYR 72 CO 0.00 -0.65 1.70 0.00 -2.51 0.00 0.00 175.55 174.09 2g1d n ALA 73 N 4.89 2.88 1.13 9.51 0.00 -1.01 -2.73 120.51 135.18 2g1d n ALA 73 Ca -0.13 -0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.03 2g1d n ALA 73 Cb 0.46 -1.20 0.55 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.56 0.00 -0.34 0.00 5.68 -1.26 -3.99 116.55 116.08 2g1d n ASP 74 Ca 0.15 -0.46 -0.04 0.00 -0.50 0.00 0.00 54.79 53.93 2g1d n ASP 74 Cb 0.33 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2g1d n ASP 74 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2g1d h LYS 75 N 0.00 -0.05 -1.57 0.11 3.64 -1.92 0.65 116.57 117.43 2g1d h LYS 75 Ca 0.00 0.00 0.47 0.00 -1.27 0.00 0.00 60.65 59.85 2g1d h LYS 75 Cb 0.04 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 2g1d h LYS 75 CO 0.00 -0.04 1.10 -1.00 -2.27 0.00 0.00 179.45 177.24 2g1d h PRO 76 N -0.06 0.04 0.01 1.90 0.13 -1.95 1.16 132.00 133.24 2g1d h PRO 76 Ca 0.28 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.22 2g1d h PRO 76 Cb 0.56 -0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.69 2g1d h PRO 76 CO -0.90 0.03 -0.71 0.77 -0.23 0.00 0.00 178.00 176.95 2g1d h SER 77 N 0.04 0.61 0.20 1.44 0.02 0.00 -1.66 113.55 114.19 2g1d h SER 77 Ca 0.80 -0.77 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2g1d h SER 77 Cb 2.98 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 65.34 2g1d h SER 77 CO -0.13 1.30 -0.09 0.00 -1.14 0.00 0.00 176.83 176.76 2g1d h ALA 78 N 0.32 -0.26 -0.11 3.77 0.00 0.16 0.20 119.26 123.34 2g1d h ALA 78 Ca -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2g1d h ALA 78 Cb 1.42 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2g1d h ALA 78 CO 0.14 -0.51 -0.03 1.98 0.00 0.00 0.00 179.25 180.83 2g1d h MET 79 N -0.53 0.15 -0.16 0.00 -1.53 -0.66 -0.26 114.93 111.94 2g1d h MET 79 Ca -0.03 -0.02 -0.21 0.00 -3.44 0.00 0.00 59.70 56.00 2g1d h MET 79 Cb 0.40 -0.03 0.01 0.00 -0.55 0.00 0.00 31.60 31.43 2g1d h MET 79 CO 0.04 0.20 -0.73 1.25 0.14 0.00 0.00 176.91 177.81 2g1d h LEU 80 N 0.15 0.85 -0.66 3.39 5.85 -1.08 -2.98 115.31 120.84 2g1d h LEU 80 Ca 0.04 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2g1d h LEU 80 Cb 0.16 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2g1d h LEU 80 CO 0.01 1.32 0.00 0.00 -0.34 0.00 0.00 178.44 179.43 2g1d n TYR 81 N -3.93 0.13 -0.85 1.25 9.36 0.69 -3.66 117.16 120.15 2g1d n TYR 81 Ca -0.06 -0.06 -0.36 0.00 3.32 0.00 0.00 57.90 60.73 2g1d n TYR 81 Cb 0.72 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.52 2g1d n TYR 81 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 2g1d n GLU 82 N -0.12 -0.72 0.20 2.98 0.28 -0.18 -4.49 120.64 118.58 2g1d n GLU 82 Ca 0.15 -0.20 0.09 0.00 -0.16 0.00 0.00 57.16 57.03 2g1d n GLU 82 Cb 0.22 -1.30 0.46 0.00 1.43 0.00 0.00 31.44 32.24 2g1d n GLU 82 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 2g1d h PRO 83 N -1.48 0.00 0.00 3.44 0.11 -1.90 0.21 132.00 132.38 2g1d h PRO 83 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2g1d h PRO 83 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2g1d h PRO 83 CO 0.29 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.83 2g1d n ASP 84 N -2.23 0.57 -2.94 -2.05 9.92 -1.26 -4.99 116.55 113.58 2g1d n ASP 84 Ca -0.01 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 2g1d n ASP 84 Cb 0.32 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 2g1d n ASP 84 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2g1d n TYR 85 N -2.06 0.00 -2.95 1.24 4.01 0.72 -4.99 117.16 113.14 2g1d n TYR 85 Ca 0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.68 2g1d n TYR 85 Cb 0.36 -0.92 -0.02 0.00 -0.31 0.00 0.00 39.34 38.45 2g1d n TYR 85 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2g1d n GLU 86 N 1.58 0.47 0.07 -0.72 0.00 -1.24 -4.99 120.64 115.81 2g1d n GLU 86 Ca 0.00 -2.36 -0.23 0.00 0.00 0.00 0.00 57.16 54.57 2g1d n GLU 86 Cb 0.32 -1.51 -0.15 0.00 0.00 0.00 0.00 31.44 30.10 2g1d n GLU 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2g1d h LEU 87 N 5.04 0.59 1.60 4.31 4.07 -1.94 -3.47 115.31 125.50 2g1d h LEU 87 Ca 0.10 -0.92 -0.13 0.00 0.08 0.00 0.00 57.88 57.02 2g1d h LEU 87 Cb 1.04 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 2g1d h LEU 87 CO 0.15 1.69 -0.14 0.00 -1.08 0.00 0.00 178.44 179.06 2g1d n ILE 88 N -3.77 -0.14 -3.35 1.22 0.13 -1.26 -4.89 119.36 107.31 2g1d n ILE 88 Ca -0.22 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.32 2g1d n ILE 88 Cb 1.01 -0.73 0.02 0.00 -0.84 0.00 0.00 39.64 39.10 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 -1.99 0.95 -1.44 9.51 5.12 -1.26 -5.07 116.66 122.48 2g1d n ARG 89 Ca -0.07 -1.60 0.00 0.00 -1.93 0.00 0.00 57.85 54.26 2g1d n ARG 89 Cb 0.37 0.03 -0.00 0.00 -1.16 0.00 0.00 32.46 31.69 2g1d n ARG 89 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2g1d n ASN 90 N -2.31 0.33 0.00 0.55 2.85 -1.26 -5.14 115.26 110.28 2g1d n ASN 90 Ca 0.04 -2.01 0.00 0.00 -0.11 0.00 0.00 54.58 52.50 2g1d n ASN 90 Cb 0.30 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.23 2g1d n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2g1d n GLY 91 N 0.23 -2.32 3.19 8.20 0.00 -1.26 -5.02 105.19 108.21 2g1d n GLY 91 Ca -0.05 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 2g1d n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g1d s LEU 92 N 0.00 1.13 -0.02 0.99 1.98 -1.26 -5.07 118.68 116.43 2g1d s LEU 92 Ca 0.00 -0.07 -0.03 0.00 -2.89 0.00 0.00 54.13 51.14 2g1d s LEU 92 Cb 0.00 1.05 0.01 0.00 0.66 0.00 0.00 46.19 47.91 2g1d s LEU 92 CO 0.00 -0.45 0.05 1.17 -1.89 0.00 0.00 176.35 175.24 2g1d n LYS 93 N 1.21 -4.63 -1.36 1.98 3.00 -1.26 -4.87 118.16 112.24 2g1d n LYS 93 Ca -0.21 3.43 -0.35 0.00 -0.00 0.00 0.00 58.31 61.17 2g1d n LYS 93 Cb 0.56 -4.44 0.08 0.00 0.00 0.00 0.00 35.03 31.23 2g1d n LYS 93 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2g1d n GLN 94 N 1.64 2.68 -3.08 1.64 7.27 -1.26 -4.87 117.38 121.41 2g1d n GLN 94 Ca -0.09 -3.28 -0.10 0.00 0.07 0.00 0.00 57.00 53.60 2g1d n GLN 94 Cb 0.14 -2.28 0.05 0.00 2.41 0.00 0.00 30.24 30.55 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 -0.88 -1.85 -2.01 3.69 4.81 -1.26 -4.25 118.16 116.40 2g1d n LYS 95 Ca 0.62 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 59.04 2g1d n LYS 95 Cb 0.63 -5.51 0.00 0.00 0.02 0.00 0.00 35.03 30.18 2g1d n LYS 95 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2g1d n GLU 96 N -2.73 -0.22 -1.48 1.64 0.28 -1.26 -4.59 120.64 112.28 2g1d n GLU 96 Ca -0.05 0.47 0.18 0.00 -0.16 0.00 0.00 57.16 57.61 2g1d n GLU 96 Cb 0.58 -0.55 -0.10 0.00 1.43 0.00 0.00 31.44 32.81 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 1.08 -3.90 -0.24 -1.84 0.00 -1.26 -5.26 120.51 109.09 2g1d n ALA 97 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.39 2g1d n ALA 97 Cb 0.25 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2g1d n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67