#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 0.80 -0.26 3.17 1.01 0.47 -4.75 116.67 117.11 2g1d s ASP 2 Ca 0.00 -0.23 -0.00 0.00 0.71 0.00 0.00 52.55 53.02 2g1d s ASP 2 Cb 0.00 -0.05 0.04 0.00 1.01 0.00 0.00 42.92 43.92 2g1d s ASP 2 CO 0.00 0.01 -0.06 -0.22 0.21 0.00 0.00 175.17 175.11 2g1d s LEU 3 N -0.54 3.43 -0.33 1.23 1.98 -1.25 0.14 118.68 123.35 2g1d s LEU 3 Ca -0.01 -1.13 -0.09 0.00 -2.89 0.00 0.00 54.13 50.01 2g1d s LEU 3 Cb -0.04 -1.64 0.01 0.00 0.66 0.00 0.00 46.19 45.18 2g1d s LEU 3 CO 0.00 -0.18 0.16 0.27 -1.89 0.00 0.00 176.35 174.70 2g1d s ILE 4 N 1.24 4.42 -0.04 6.68 -4.36 0.96 -4.92 121.20 125.18 2g1d s ILE 4 Ca -0.04 -0.68 0.00 0.00 -0.26 0.00 0.00 60.65 59.68 2g1d s ILE 4 Cb -0.18 -3.35 -0.03 0.00 1.25 0.00 0.00 42.46 40.14 2g1d s ILE 4 CO -0.04 -0.06 -0.02 -0.51 0.24 0.00 0.00 174.94 174.56 2g1d s ILE 5 N 1.56 4.09 -0.55 8.37 1.10 -1.26 -1.00 121.20 133.51 2g1d s ILE 5 Ca 0.03 -0.48 0.05 0.00 -0.51 0.00 0.00 60.65 59.74 2g1d s ILE 5 Cb -0.18 -2.76 0.20 0.00 0.15 0.00 0.00 42.46 39.87 2g1d s ILE 5 CO 0.05 0.49 0.50 1.17 -2.11 0.00 0.00 174.94 175.04 2g1d n LYS 6 N 1.79 1.24 -2.41 3.50 4.81 0.20 -4.96 118.16 122.32 2g1d n LYS 6 Ca -0.16 -3.89 -0.39 0.00 -0.87 0.00 0.00 58.31 52.99 2g1d n LYS 6 Cb 0.53 -1.90 -0.04 0.00 0.02 0.00 0.00 35.03 33.64 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 -1.11 4.43 -0.01 1.64 8.01 -1.26 -0.03 118.70 130.37 2g1d s GLU 7 Ca 0.32 1.81 0.04 0.00 0.01 0.00 0.00 54.97 57.15 2g1d s GLU 7 Cb 0.05 -2.98 -0.01 0.00 -4.31 0.00 0.00 34.13 26.88 2g1d s GLU 7 CO -0.14 0.02 -0.12 0.15 0.01 0.00 0.00 175.26 175.18 2g1d s LYS 8 N -1.80 0.95 0.07 1.61 1.02 0.22 -4.89 119.74 116.91 2g1d s LYS 8 Ca 0.49 -0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.14 2g1d s LYS 8 Cb -0.31 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.06 2g1d s LYS 8 CO 0.40 0.25 -0.21 -0.98 -0.92 0.00 0.00 175.35 173.89 2g1d s ARG 9 N -0.27 1.31 -0.20 1.68 1.70 -1.26 0.74 118.95 122.65 2g1d s ARG 9 Ca 0.04 -1.04 -0.08 0.00 -0.47 0.00 0.00 55.73 54.19 2g1d s ARG 9 Cb -0.04 -1.49 -0.04 0.00 -0.57 0.00 0.00 34.95 32.80 2g1d s ARG 9 CO -0.00 0.37 0.08 0.34 -1.08 0.00 0.00 175.30 175.00 2g1d s ASP 10 N -1.46 5.66 0.80 -2.89 2.15 0.25 -4.86 116.67 116.33 2g1d s ASP 10 Ca 0.07 0.06 -0.11 0.00 0.43 0.00 0.00 52.55 53.00 2g1d s ASP 10 Cb -0.09 -1.98 0.07 0.00 -0.30 0.00 0.00 42.92 40.61 2g1d s ASP 10 CO 0.03 0.14 1.09 0.20 -0.17 0.00 0.00 175.17 176.45 2g1d s ASN 11 N 0.60 4.46 0.00 -0.34 0.02 -1.26 -2.14 114.94 116.29 2g1d s ASN 11 Ca 0.04 1.43 0.00 0.00 -1.02 0.00 0.00 52.86 53.31 2g1d s ASN 11 Cb -0.13 -2.17 0.00 0.00 0.02 0.00 0.00 41.25 38.97 2g1d s ASN 11 CO 0.01 -2.00 0.16 -2.65 0.02 0.00 0.00 177.10 172.64 2g1d n PRO 12 N -3.47 0.00 -0.12 -0.60 -0.02 -1.26 -2.27 135.00 127.26 2g1d n PRO 12 Ca 0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.51 2g1d n PRO 12 Cb 0.55 -1.24 0.03 0.00 -0.02 0.00 0.00 33.50 32.83 2g1d n PRO 12 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2g1d h ILE 13 N 0.00 0.78 -0.00 4.25 3.07 -1.97 -2.83 117.51 120.81 2g1d h ILE 13 Ca 0.00 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.34 2g1d h ILE 13 Cb 0.32 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 37.43 2g1d h ILE 13 CO 0.00 0.04 -0.18 0.00 -1.05 0.00 0.00 178.15 176.96 2g1d n LEU 14 N -5.10 0.81 -3.47 0.16 -0.00 -1.18 -5.02 117.00 103.20 2g1d n LEU 14 Ca 0.03 -0.70 -0.19 0.00 -0.00 0.00 0.00 56.01 55.15 2g1d n LEU 14 Cb 0.19 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.67 2g1d n LEU 14 CO 0.23 0.17 0.02 2.29 -0.00 0.00 0.00 177.39 180.10 2g1d n LYS 15 N -0.53 -4.15 -4.22 1.47 0.00 -0.96 -4.70 118.16 105.07 2g1d n LYS 15 Ca 0.02 0.75 -0.13 0.00 -0.00 0.00 0.00 58.31 58.95 2g1d n LYS 15 Cb 0.13 -5.48 -0.10 0.00 -0.00 0.00 0.00 35.03 29.58 2g1d n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2g1d s ARG 16 N -5.28 0.96 0.13 -1.58 1.81 -0.91 -4.11 118.95 109.97 2g1d s ARG 16 Ca 0.20 -1.37 0.00 0.00 -1.72 0.00 0.00 55.73 52.85 2g1d s ARG 16 Cb -0.04 -0.51 -0.04 0.00 -0.45 0.00 0.00 34.95 33.91 2g1d s ARG 16 CO 0.77 0.05 0.00 0.21 -0.68 0.00 0.00 175.30 175.66 2g1d s LYS 17 N -3.58 0.92 -0.11 3.54 2.36 -1.20 0.87 119.74 122.53 2g1d s LYS 17 Ca 0.13 -1.42 -0.00 0.00 -2.55 0.00 0.00 55.97 52.13 2g1d s LYS 17 Cb 0.02 -0.01 0.02 0.00 -1.05 0.00 0.00 37.83 36.81 2g1d s LYS 17 CO -0.01 -0.15 -0.08 -2.00 1.55 0.00 0.00 175.35 174.66 2g1d s GLU 18 N -3.94 1.58 0.10 4.03 2.12 0.23 -2.63 118.70 120.19 2g1d s GLU 18 Ca 0.19 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.30 2g1d s GLU 18 Cb 0.07 -1.62 -0.03 0.00 0.26 0.00 0.00 34.13 32.81 2g1d s GLU 18 CO -0.01 -0.26 -0.16 0.96 -0.54 0.00 0.00 175.26 175.26 2g1d s ILE 19 N 1.66 1.34 -0.09 -3.70 -0.00 -0.06 0.70 121.20 121.05 2g1d s ILE 19 Ca 0.04 -1.53 -0.12 0.00 -0.00 0.00 0.00 60.65 59.04 2g1d s ILE 19 Cb -0.13 -1.37 -0.05 0.00 -0.00 0.00 0.00 42.46 40.92 2g1d s ILE 19 CO -0.08 -0.27 0.30 -0.54 -0.00 0.00 0.00 174.94 174.35 2g1d s LYS 20 N -2.15 3.90 0.02 0.37 -0.14 0.96 0.34 119.74 123.04 2g1d s LYS 20 Ca 0.04 0.16 -0.00 0.00 -1.36 0.00 0.00 55.97 54.81 2g1d s LYS 20 Cb -0.08 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2g1d s LYS 20 CO 0.03 0.56 -0.03 1.52 -0.76 0.00 0.00 175.35 176.67 2g1d s TYR 21 N -0.53 0.28 -0.03 3.18 1.13 -1.08 0.63 117.35 120.92 2g1d s TYR 21 Ca 0.19 -0.58 0.01 0.00 -1.41 0.00 0.00 57.07 55.28 2g1d s TYR 21 Cb -0.14 -0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.53 2g1d s TYR 21 CO 0.08 -0.21 -0.05 0.08 -2.51 0.00 0.00 175.55 172.94 2g1d s VAL 22 N -1.70 0.50 -0.22 -3.49 1.01 -0.17 -0.95 120.40 115.38 2g1d s VAL 22 Ca -0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2g1d s VAL 22 Cb -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2g1d s VAL 22 CO -0.02 0.20 0.01 -0.22 0.00 0.00 0.00 175.10 175.07 2g1d s LEU 23 N 0.68 3.19 -0.31 3.92 2.96 0.11 -0.03 118.68 129.20 2g1d s LEU 23 Ca -0.09 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 2g1d s LEU 23 Cb -0.12 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2g1d s LEU 23 CO 0.00 -0.00 0.19 -0.54 -1.32 0.00 0.00 176.35 174.68 2g1d s LYS 24 N 1.38 3.53 -0.10 1.98 1.02 0.37 -1.89 119.74 126.02 2g1d s LYS 24 Ca 0.05 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2g1d s LYS 24 Cb -0.15 -3.67 -0.02 0.00 -0.52 0.00 0.00 37.83 33.47 2g1d s LYS 24 CO 0.01 -0.37 -0.10 -0.59 -0.92 0.00 0.00 175.35 173.37 2g1d s PHE 25 N 1.68 2.86 -0.58 3.18 -0.12 -1.26 0.18 117.98 123.93 2g1d s PHE 25 Ca 0.06 -0.31 0.06 0.00 -0.05 0.00 0.00 56.93 56.69 2g1d s PHE 25 Cb -0.17 -1.79 0.31 0.00 -0.63 0.00 0.00 43.02 40.74 2g1d s PHE 25 CO 0.09 0.04 0.85 -0.40 -0.05 0.00 0.00 175.22 175.75 2g1d n ASP 26 N 2.95 3.88 -3.57 1.98 5.75 -1.26 -4.77 116.55 121.51 2g1d n ASP 26 Ca -0.18 -3.53 0.03 0.00 -0.01 0.00 0.00 54.79 51.10 2g1d n ASP 26 Cb 0.53 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2g1d n ASP 26 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2g1d s SER 27 N -3.00 -0.01 -0.46 -1.12 1.04 -1.26 -5.01 113.70 103.87 2g1d s SER 27 Ca 0.45 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.89 2g1d s SER 27 Cb 0.24 0.03 0.49 0.00 0.10 0.00 0.00 66.02 66.88 2g1d s SER 27 CO -0.09 -0.05 1.68 -0.24 0.98 0.00 0.00 173.24 175.52 2g1d n SER 28 N -0.43 5.40 -4.65 7.02 2.88 -1.26 -4.99 113.62 117.59 2g1d n SER 28 Ca -0.08 -3.76 -0.26 0.00 -1.33 0.00 0.00 58.87 53.44 2g1d n SER 28 Cb 0.63 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 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 -3.59 2.35 0.36 -1.46 3.52 -1.26 -5.09 118.95 113.78 2g1d s ARG 29 Ca 0.56 -1.15 -0.28 0.00 -0.13 0.00 0.00 55.73 54.73 2g1d s ARG 29 Cb 0.46 -2.32 -0.11 0.00 -1.56 0.00 0.00 34.95 31.42 2g1d s ARG 29 CO 0.02 0.44 1.46 0.99 -0.81 0.00 0.00 175.30 177.40 2g1d s THR 30 N -1.77 2.19 0.25 4.11 2.01 -1.26 -4.91 115.64 116.27 2g1d s THR 30 Ca 0.27 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 62.16 2g1d s THR 30 Cb -0.09 -3.12 -0.14 0.00 0.01 0.00 0.00 72.50 69.16 2g1d s THR 30 CO 0.18 0.04 1.31 -2.65 -0.69 0.00 0.00 174.62 172.81 2g1d n PRO 31 N 0.69 1.85 -2.00 4.92 -0.02 -1.26 -4.95 135.00 134.23 2g1d n PRO 31 Ca 0.01 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 2g1d n PRO 31 Cb 0.40 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.05 5.46 -0.07 2.55 0.15 -1.26 -4.99 113.70 115.60 2g1d s SER 32 Ca 0.66 2.03 -0.26 0.00 0.70 0.00 0.00 55.95 59.07 2g1d s SER 32 Cb -0.67 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 60.87 2g1d s SER 32 CO 0.53 -1.39 1.05 0.03 1.20 0.00 0.00 173.24 174.66 2g1d h ARG 33 N 0.53 -0.02 -0.01 5.44 2.47 -2.00 -3.21 114.38 117.59 2g1d h ARG 33 Ca -0.48 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.13 2g1d h ARG 33 Cb 1.25 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.58 2g1d h ARG 33 CO 0.56 0.63 -0.45 1.49 0.56 0.00 0.00 179.97 182.76 2g1d h GLU 34 N -0.71 0.31 0.11 0.04 4.81 -1.96 -2.76 114.58 114.43 2g1d h GLU 34 Ca -0.00 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2g1d h GLU 34 Cb 0.67 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2g1d h GLU 34 CO 0.00 1.02 -0.16 1.49 -0.73 0.00 0.00 179.01 180.63 2g1d h GLU 35 N -0.26 -0.32 0.14 1.92 4.81 -1.98 0.36 114.58 119.25 2g1d h GLU 35 Ca -0.05 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2g1d h GLU 35 Cb 1.17 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2g1d h GLU 35 CO 0.09 -0.21 -0.07 0.97 -0.73 0.00 0.00 179.01 179.06 2g1d h ILE 36 N -0.33 0.69 0.16 2.32 2.10 -1.71 -2.41 117.51 118.32 2g1d h ILE 36 Ca 0.02 -1.19 0.01 0.00 1.08 0.00 0.00 64.86 64.78 2g1d h ILE 36 Cb 0.34 1.21 -0.03 0.00 -1.09 0.00 0.00 36.82 37.25 2g1d h ILE 36 CO -0.08 0.20 -0.23 0.50 -1.08 0.00 0.00 178.15 177.46 2g1d h LYS 37 N -0.95 -0.44 0.24 2.19 3.64 -1.55 0.67 116.57 120.38 2g1d h LYS 37 Ca -0.02 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2g1d h LYS 37 Cb 0.47 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2g1d h LYS 37 CO 0.03 -0.29 -0.12 1.05 -2.27 0.00 0.00 179.45 177.86 2g1d h GLU 38 N -0.45 -0.31 -0.18 1.90 4.11 -0.41 0.49 114.58 119.72 2g1d h GLU 38 Ca 0.02 0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.52 2g1d h GLU 38 Cb 0.45 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2g1d h GLU 38 CO -0.10 0.02 0.13 1.25 0.07 0.00 0.00 179.01 180.38 2g1d h LEU 39 N -0.69 0.00 0.07 3.06 6.46 -1.40 0.66 115.31 123.48 2g1d h LEU 39 Ca -0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2g1d h LEU 39 Cb 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2g1d h LEU 39 CO 0.05 0.00 -0.03 0.16 -0.62 0.00 0.00 178.44 178.00 2g1d h ILE 40 N 0.00 1.04 -0.29 4.05 3.07 0.56 -2.54 117.51 123.40 2g1d h ILE 40 Ca 0.09 -1.53 -0.01 0.00 1.55 0.00 0.00 64.86 64.96 2g1d h ILE 40 Cb 0.34 1.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 2g1d h ILE 40 CO -0.00 0.32 0.13 0.00 -1.05 0.00 0.00 178.15 177.54 2g1d h ALA 41 N -0.29 0.37 -0.25 0.16 0.00 -0.69 1.11 119.26 119.67 2g1d h ALA 41 Ca -0.01 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2g1d h ALA 41 Cb 0.59 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2g1d h ALA 41 CO 0.01 -0.05 -0.07 0.87 0.00 0.00 0.00 179.25 180.02 2g1d h LYS 42 N 0.32 -0.01 -0.46 0.00 1.57 0.16 0.45 116.57 118.60 2g1d h LYS 42 Ca 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2g1d h LYS 42 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2g1d h LYS 42 CO -0.01 -0.00 0.22 0.45 -0.57 0.00 0.00 179.45 179.53 2g1d h HIS 43 N -0.01 0.67 0.00 -1.35 3.86 -1.23 -1.49 115.15 115.60 2g1d h HIS 43 Ca 0.12 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2g1d h HIS 43 Cb 0.19 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2g1d h HIS 43 CO -0.25 0.55 0.46 0.39 0.86 0.00 0.00 177.93 179.93 2g1d n GLU 44 N -4.63 0.06 0.00 2.45 1.02 0.38 -4.59 120.64 115.33 2g1d n GLU 44 Ca 0.01 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2g1d n GLU 44 Cb 0.12 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 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 -1.26 1.49 3.66 0.62 0.00 -0.37 -4.80 105.19 104.52 2g1d n GLY 45 Ca -0.01 0.00 -0.08 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 0.00 0.78 1.61 -7.23 0.13 -5.00 120.40 108.70 2g1d s VAL 46 Ca 0.00 -1.20 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 2g1d s VAL 46 Cb 0.00 -2.05 0.18 0.00 0.56 0.00 0.00 36.38 35.07 2g1d s VAL 46 CO 0.00 -0.02 1.00 0.47 -0.31 0.00 0.00 175.10 176.24 2g1d n ASP 47 N -0.40 -0.19 0.13 4.85 8.00 -1.26 -0.58 116.55 127.10 2g1d n ASP 47 Ca -0.03 -1.32 -0.01 0.00 0.71 0.00 0.00 54.79 54.13 2g1d n ASP 47 Cb 0.61 -0.78 0.23 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.10 -0.49 -1.24 -0.00 -1.91 -3.07 116.57 109.96 2g1d h LYS 48 Ca -0.33 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.65 60.20 2g1d h LYS 48 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.14 2g1d h LYS 48 CO 0.23 0.57 0.03 0.93 -0.00 0.00 0.00 179.45 181.21 2g1d h GLU 49 N 0.08 0.84 -0.77 0.07 3.07 -1.94 -2.91 114.58 113.02 2g1d h GLU 49 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2g1d h GLU 49 Cb 0.90 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2g1d h GLU 49 CO 0.07 0.87 0.00 1.28 -1.40 0.00 0.00 179.01 179.83 2g1d n LEU 50 N -4.37 0.77 -4.52 1.33 4.77 -1.04 -4.77 117.00 109.17 2g1d n LEU 50 Ca 0.01 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 2g1d n LEU 50 Cb 0.29 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 2g1d n LEU 50 CO 0.42 0.19 -0.01 -0.69 -1.33 0.00 0.00 177.39 175.96 2g1d s VAL 51 N -1.09 5.20 -0.25 4.08 1.01 -1.10 -0.75 120.40 127.50 2g1d s VAL 51 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2g1d s VAL 51 Cb 0.00 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.63 2g1d s VAL 51 CO 0.00 -0.13 0.06 -0.51 0.00 0.00 0.00 175.10 174.52 2g1d s ILE 52 N 1.91 0.76 -0.19 2.22 -1.16 -0.28 -4.93 121.20 119.54 2g1d s ILE 52 Ca 0.09 -1.00 -0.00 0.00 -0.51 0.00 0.00 60.65 59.24 2g1d s ILE 52 Cb -0.17 -1.38 0.05 0.00 0.61 0.00 0.00 42.46 41.56 2g1d s ILE 52 CO 0.11 -0.42 -0.06 0.68 -2.81 0.00 0.00 174.94 172.45 2g1d s VAL 53 N 1.72 1.25 0.20 4.00 -7.23 -1.26 -0.99 120.40 118.10 2g1d s VAL 53 Ca 0.03 -0.80 0.10 0.00 -1.81 0.00 0.00 61.98 59.50 2g1d s VAL 53 Cb -0.17 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 2g1d s VAL 53 CO -0.16 0.08 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.76 2g1d s ASP 54 N 1.56 4.00 0.23 4.85 1.11 -1.26 -5.00 116.67 122.17 2g1d s ASP 54 Ca -0.01 -0.71 0.00 0.00 0.18 0.00 0.00 52.55 52.01 2g1d s ASP 54 Cb -0.16 -0.57 0.00 0.00 1.07 0.00 0.00 42.92 43.26 2g1d s ASP 54 CO -0.08 0.09 0.00 0.59 1.18 0.00 0.00 175.17 176.95 2g1d n ASN 55 N -0.08 -3.76 -3.32 0.27 3.02 -1.26 -4.29 115.26 105.84 2g1d n ASN 55 Ca -0.10 0.63 -0.24 0.00 -0.03 0.00 0.00 54.58 54.85 2g1d n ASN 55 Cb 0.56 -1.42 -0.09 0.00 -0.61 0.00 0.00 39.78 38.23 2g1d n ASN 55 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2g1d s ASN 56 N -3.29 1.22 -0.38 6.41 2.20 -1.26 -4.22 114.94 115.63 2g1d s ASN 56 Ca 0.00 -2.68 -0.29 0.00 -0.94 0.00 0.00 52.86 48.95 2g1d s ASN 56 Cb 0.00 -0.06 0.01 0.00 -2.00 0.00 0.00 41.25 39.20 2g1d s ASN 56 CO 0.00 -0.18 1.29 -1.59 -2.94 0.00 0.00 177.10 173.68 2g1d s LYS 57 N 0.40 3.77 -0.13 3.55 -2.85 0.59 -4.73 119.74 120.34 2g1d s LYS 57 Ca 0.29 0.99 -0.01 0.00 -1.00 0.00 0.00 55.97 56.24 2g1d s LYS 57 Cb -0.01 -3.92 -0.02 0.00 -2.06 0.00 0.00 37.83 31.81 2g1d s LYS 57 CO -0.14 -1.31 -0.08 -1.14 0.10 0.00 0.00 175.35 172.78 2g1d s GLN 58 N 4.45 3.35 -0.39 1.78 -0.44 -1.24 -0.83 119.66 126.34 2g1d s GLN 58 Ca 0.55 -0.59 -0.16 0.00 -2.50 0.00 0.00 55.36 52.66 2g1d s GLN 58 Cb -0.13 -2.73 0.01 0.00 -1.64 0.00 0.00 33.01 28.52 2g1d s GLN 58 CO 0.27 0.33 0.38 -0.51 0.50 0.00 0.00 175.29 176.27 2g1d s LEU 59 N 0.09 4.75 1.37 3.68 2.01 -1.26 -4.93 118.68 124.39 2g1d s LEU 59 Ca -0.03 -0.55 -0.21 0.00 0.01 0.00 0.00 54.13 53.34 2g1d s LEU 59 Cb -0.14 -2.33 0.35 0.00 0.01 0.00 0.00 46.19 44.08 2g1d s LEU 59 CO 0.04 -0.47 0.96 0.42 1.01 0.00 0.00 176.35 178.30 2g1d s THR 60 N 2.01 1.34 0.00 5.49 -4.23 -1.26 -4.36 115.64 114.63 2g1d s THR 60 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2g1d s THR 60 Cb -0.17 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2g1d s THR 60 CO 0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2g1d n GLY 61 N 1.12 2.67 0.00 3.99 0.00 -1.26 -5.00 105.19 106.72 2g1d n GLY 61 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.22 0.37 -1.47 1.61 5.02 -1.26 -5.10 118.16 116.11 2g1d n LYS 62 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2g1d n LYS 62 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 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 0.00 -0.39 -4.27 2.13 8.25 -1.26 -5.13 115.22 114.55 2g1d n HIS 63 Ca 0.00 -0.81 -0.19 0.00 -0.26 0.00 0.00 57.72 56.46 2g1d n HIS 63 Cb 0.00 0.63 -0.11 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.10 1.12 0.10 -0.41 2.02 -1.26 -3.98 118.70 116.18 2g1d s GLU 64 Ca 0.06 -1.34 0.07 0.00 0.02 0.00 0.00 54.97 53.79 2g1d s GLU 64 Cb 0.15 -1.00 -0.04 0.00 0.10 0.00 0.00 34.13 33.34 2g1d s GLU 64 CO -0.05 0.19 -0.10 0.96 0.02 0.00 0.00 175.26 176.28 2g1d s ILE 65 N -2.32 3.34 0.31 -1.63 -5.25 -0.79 -4.53 121.20 110.33 2g1d s ILE 65 Ca 0.13 -1.24 0.10 0.00 -0.99 0.00 0.00 60.65 58.64 2g1d s ILE 65 Cb -0.04 -2.55 -0.05 0.00 2.95 0.00 0.00 42.46 42.77 2g1d s ILE 65 CO 0.04 0.14 -0.02 -0.70 -1.79 0.00 0.00 174.94 172.61 2g1d s GLU 66 N -2.13 2.08 0.00 0.37 -6.30 -0.01 -0.72 118.70 112.00 2g1d s GLU 66 Ca 0.21 -1.67 0.00 0.00 -2.50 0.00 0.00 54.97 51.01 2g1d s GLU 66 Cb -0.11 -1.97 0.00 0.00 0.00 0.00 0.00 34.13 32.05 2g1d s GLU 66 CO 0.13 0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.04 2g1d n GLY 67 N -0.90 -0.65 3.21 -1.50 0.00 -0.13 0.22 105.19 105.45 2g1d n GLY 67 Ca -0.05 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.00 2.23 -0.00 1.61 1.51 -1.26 -2.65 117.35 115.78 2g1d s TYR 68 Ca 0.00 -0.73 0.08 0.00 -1.01 0.00 0.00 57.07 55.41 2g1d s TYR 68 Cb 0.00 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 2g1d s TYR 68 CO 0.00 -0.26 -0.26 0.95 -1.11 0.00 0.00 175.55 174.88 2g1d s THR 69 N 0.06 2.04 0.04 -0.71 -4.23 0.15 -4.02 115.64 108.98 2g1d s THR 69 Ca -0.08 -1.16 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 2g1d s THR 69 Cb -0.14 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 2g1d s THR 69 CO 0.05 0.52 -0.21 -0.75 -0.54 0.00 0.00 174.62 173.69 2g1d s LYS 70 N -0.75 1.39 0.01 3.99 2.36 -0.16 -0.88 119.74 125.69 2g1d s LYS 70 Ca 0.10 -0.94 0.02 0.00 -2.55 0.00 0.00 55.97 52.60 2g1d s LYS 70 Cb -0.10 -1.50 -0.01 0.00 -1.05 0.00 0.00 37.83 35.17 2g1d s LYS 70 CO -0.00 0.38 -0.07 0.42 1.55 0.00 0.00 175.35 177.63 2g1d s ILE 71 N -0.80 0.51 -0.18 5.43 1.09 -1.08 -1.13 121.20 125.05 2g1d s ILE 71 Ca 0.07 -0.51 0.01 0.00 -1.10 0.00 0.00 60.65 59.13 2g1d s ILE 71 Cb -0.09 -0.48 0.02 0.00 -1.06 0.00 0.00 42.46 40.86 2g1d s ILE 71 CO 0.02 -0.01 -0.17 -0.72 -0.10 0.00 0.00 174.94 173.95 2g1d s TYR 72 N -0.50 2.62 -1.38 3.97 1.13 0.07 -3.21 117.35 120.04 2g1d s TYR 72 Ca -0.01 -1.57 0.25 0.00 -1.41 0.00 0.00 57.07 54.34 2g1d s TYR 72 Cb -0.05 -1.81 0.53 0.00 -1.10 0.00 0.00 41.96 39.53 2g1d s TYR 72 CO 0.00 -0.77 1.43 0.00 -2.51 0.00 0.00 175.55 173.69 2g1d n ALA 73 N 4.66 3.44 0.64 9.51 0.00 -1.26 -2.48 120.51 135.01 2g1d n ALA 73 Ca -0.19 -0.41 0.11 0.00 0.00 0.00 0.00 53.44 52.95 2g1d n ALA 73 Cb 0.49 -1.08 0.45 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 -1.05 0.28 0.21 0.00 5.68 -1.26 -3.63 116.55 116.77 2g1d n ASP 74 Ca 0.08 0.55 -0.14 0.00 -0.50 0.00 0.00 54.79 54.79 2g1d n ASP 74 Cb 0.35 -0.61 -0.08 0.00 -1.14 0.00 0.00 41.12 39.64 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 -0.52 -0.89 0.11 3.64 -1.89 -1.77 116.57 115.26 2g1d h LYS 75 Ca 0.00 0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.64 2g1d h LYS 75 Cb 0.43 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 2g1d h LYS 75 CO 0.00 -0.21 0.61 -1.00 -2.27 0.00 0.00 179.45 176.57 2g1d h PRO 76 N -0.84 0.25 0.01 1.90 0.13 -1.85 1.06 132.00 132.65 2g1d h PRO 76 Ca -0.06 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.87 2g1d h PRO 76 Cb 0.54 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 31.64 2g1d h PRO 76 CO 0.09 0.16 -0.74 0.66 -0.23 0.00 0.00 178.00 177.94 2g1d h SER 77 N 0.25 0.63 -0.09 1.44 4.64 -1.71 -2.14 113.55 116.57 2g1d h SER 77 Ca 0.45 -0.77 -0.19 0.00 -0.47 0.00 0.00 61.79 60.81 2g1d h SER 77 Cb 1.36 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2g1d h SER 77 CO -0.12 1.32 -0.65 0.00 -0.87 0.00 0.00 176.83 176.51 2g1d h ALA 78 N 0.32 0.49 -0.11 5.18 0.00 -0.08 0.53 119.26 125.59 2g1d h ALA 78 Ca -0.10 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 2g1d h ALA 78 Cb 1.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2g1d h ALA 78 CO 0.15 0.70 -0.21 1.98 0.00 0.00 0.00 179.25 181.86 2g1d h MET 79 N 0.52 0.34 0.14 0.00 -1.53 0.97 0.54 114.93 115.90 2g1d h MET 79 Ca -0.02 -0.22 -0.29 0.00 -3.44 0.00 0.00 59.70 55.73 2g1d h MET 79 Cb 1.25 0.03 0.03 0.00 -0.55 0.00 0.00 31.60 32.35 2g1d h MET 79 CO 0.13 0.81 -1.24 1.25 0.14 0.00 0.00 176.91 178.00 2g1d h LEU 80 N -0.09 0.84 -2.26 3.39 7.12 -1.47 -3.32 115.31 119.52 2g1d h LEU 80 Ca 0.01 -0.85 0.00 0.00 0.13 0.00 0.00 57.88 57.17 2g1d h LEU 80 Cb 0.79 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 2g1d h LEU 80 CO 0.05 1.61 0.00 -1.22 -0.13 0.00 0.00 178.44 178.75 2g1d n TYR 81 N -3.82 0.40 -0.96 1.25 4.02 0.18 -5.08 117.16 113.15 2g1d n TYR 81 Ca -0.14 -0.22 0.12 0.00 -0.01 0.00 0.00 57.90 57.66 2g1d n TYR 81 Cb 0.99 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.26 2g1d n TYR 81 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2g1d n GLU 82 N 1.38 -2.07 0.05 -0.72 1.02 0.19 -2.86 120.64 117.62 2g1d n GLU 82 Ca 0.17 1.53 0.20 0.00 -0.02 0.00 0.00 57.16 59.05 2g1d n GLU 82 Cb 0.58 -2.48 0.56 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.92 0.00 -0.45 3.49 0.13 -1.89 0.93 132.00 133.29 2g1d h PRO 83 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2g1d h PRO 83 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2g1d h PRO 83 CO 0.03 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.40 2g1d n ASP 84 N -3.28 1.69 -4.20 1.44 5.75 -1.25 -4.96 116.55 111.73 2g1d n ASP 84 Ca 0.11 -2.10 -0.36 0.00 -0.01 0.00 0.00 54.79 52.43 2g1d n ASP 84 Cb 0.95 -0.29 0.06 0.00 -1.03 0.00 0.00 41.12 40.81 2g1d n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g1d n TYR 85 N 0.19 -3.36 -2.65 2.11 0.18 0.32 -5.00 117.16 108.96 2g1d n TYR 85 Ca 0.08 0.15 -0.03 0.00 1.88 0.00 0.00 57.90 59.98 2g1d n TYR 85 Cb 0.32 -1.62 0.04 0.00 -0.38 0.00 0.00 39.34 37.70 2g1d n TYR 85 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2g1d n GLU 86 N 0.85 0.02 0.09 -3.48 2.13 -1.26 -5.03 120.64 113.97 2g1d n GLU 86 Ca 0.03 -0.56 -0.05 0.00 0.66 0.00 0.00 57.16 57.24 2g1d n GLU 86 Cb 0.53 0.37 0.12 0.00 0.27 0.00 0.00 31.44 32.73 2g1d n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2g1d h LEU 87 N 3.94 0.23 1.98 4.31 3.38 -1.95 -3.46 115.31 123.74 2g1d h LEU 87 Ca -0.04 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2g1d h LEU 87 Cb 1.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2g1d h LEU 87 CO -0.15 0.79 -0.11 0.00 0.09 0.00 0.00 178.44 179.06 2g1d n ILE 88 N -3.85 -0.17 -0.98 1.22 3.06 -1.26 -4.89 119.36 112.49 2g1d n ILE 88 Ca -0.02 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 59.98 2g1d n ILE 88 Cb 0.63 -0.60 0.21 0.00 0.54 0.00 0.00 39.64 40.41 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 -2.36 -2.72 -3.29 9.51 5.12 -1.26 -5.09 116.66 116.57 2g1d n ARG 89 Ca -0.05 -1.45 -0.11 0.00 -1.93 0.00 0.00 57.85 54.31 2g1d n ARG 89 Cb 0.46 -1.34 -0.03 0.00 -1.16 0.00 0.00 32.46 30.39 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 -4.52 -0.75 -4.33 0.55 5.15 -1.26 -5.17 115.26 104.92 2g1d n ASN 90 Ca 0.13 -2.33 -0.29 0.00 -0.60 0.00 0.00 54.58 51.48 2g1d n ASN 90 Cb 0.48 1.49 -0.14 0.00 -0.53 0.00 0.00 39.78 41.08 2g1d n ASN 90 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2g1d s GLY 91 N -2.48 1.36 -0.20 8.20 0.00 -1.26 -5.03 107.32 107.91 2g1d s GLY 91 Ca 0.22 -1.25 0.12 0.00 0.00 0.00 0.00 44.72 43.81 2g1d s GLY 91 CO 0.16 -1.15 1.21 1.47 0.00 0.00 0.00 173.10 174.79 2g1d n LEU 92 N 1.72 2.77 -2.67 0.66 -0.00 -1.26 -4.68 117.00 113.54 2g1d n LEU 92 Ca -0.17 -3.84 0.01 0.00 -0.00 0.00 0.00 56.01 52.00 2g1d n LEU 92 Cb 0.52 -0.47 0.05 0.00 -0.00 0.00 0.00 43.42 43.52 2g1d n LEU 92 CO 0.23 1.40 0.00 1.17 -0.00 0.00 0.00 177.39 180.19 2g1d n LYS 93 N -0.97 1.50 -2.83 1.47 4.81 -1.26 -4.17 118.16 116.70 2g1d n LYS 93 Ca 0.20 -3.31 -0.42 0.00 -0.87 0.00 0.00 58.31 53.91 2g1d n LYS 93 Cb 0.75 -1.40 0.01 0.00 0.02 0.00 0.00 35.03 34.41 2g1d n LYS 93 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2g1d n GLN 94 N -0.46 4.92 -1.16 1.64 7.27 -1.26 -4.68 117.38 123.65 2g1d n GLN 94 Ca 0.07 -4.61 -0.06 0.00 0.07 0.00 0.00 57.00 52.47 2g1d n GLN 94 Cb 0.85 -2.49 -0.02 0.00 2.41 0.00 0.00 30.24 30.98 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 0.65 -1.27 -0.05 3.69 4.81 -1.26 -4.85 118.16 119.88 2g1d n LYS 95 Ca 0.36 0.61 -0.05 0.00 -0.87 0.00 0.00 58.31 58.36 2g1d n LYS 95 Cb 0.30 -4.70 -0.02 0.00 0.02 0.00 0.00 35.03 30.63 2g1d n LYS 95 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2g1d n GLU 96 N -1.07 0.27 -1.01 1.64 -0.58 -1.26 -4.69 120.64 113.93 2g1d n GLU 96 Ca -0.06 0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 2g1d n GLU 96 Cb 0.41 -0.99 -0.06 0.00 -0.57 0.00 0.00 31.44 30.22 2g1d n GLU 96 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2g1d n ALA 97 N -3.49 2.96 0.38 0.62 0.00 -1.26 -5.09 120.51 114.62 2g1d n ALA 97 Ca -0.07 -3.12 0.05 0.00 0.00 0.00 0.00 53.44 50.29 2g1d n ALA 97 Cb 0.26 -3.62 0.04 0.00 0.00 0.00 0.00 19.45 16.14 2g1d n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67