#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 0.93 -0.22 7.83 1.01 0.42 -4.79 116.67 121.85 2g1d s ASP 2 Ca 0.00 -0.45 -0.01 0.00 0.71 0.00 0.00 52.55 52.80 2g1d s ASP 2 Cb 0.00 -0.00 0.02 0.00 1.01 0.00 0.00 42.92 43.95 2g1d s ASP 2 CO 0.00 -0.12 -0.12 -0.22 0.21 0.00 0.00 175.17 174.92 2g1d s LEU 3 N -1.25 2.76 -0.37 1.23 1.98 -1.25 0.13 118.68 121.91 2g1d s LEU 3 Ca -0.06 -0.76 -0.11 0.00 -2.89 0.00 0.00 54.13 50.31 2g1d s LEU 3 Cb -0.08 -1.59 0.02 0.00 0.66 0.00 0.00 46.19 45.19 2g1d s LEU 3 CO 0.00 -0.07 0.21 -0.63 -1.89 0.00 0.00 176.35 173.98 2g1d s ILE 4 N 1.31 4.71 -0.04 6.68 -1.09 0.14 -4.93 121.20 127.99 2g1d s ILE 4 Ca 0.02 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 2g1d s ILE 4 Cb -0.15 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2g1d s ILE 4 CO -0.08 -0.20 -0.07 0.27 -1.23 0.00 0.00 174.94 173.64 2g1d s ILE 5 N 1.59 3.68 -0.38 2.92 -0.00 -1.26 -1.11 121.20 126.63 2g1d s ILE 5 Ca 0.03 -0.60 0.12 0.00 -0.00 0.00 0.00 60.65 60.19 2g1d s ILE 5 Cb -0.19 -2.54 0.44 0.00 -0.00 0.00 0.00 42.46 40.17 2g1d s ILE 5 CO 0.07 0.51 1.02 1.17 -0.00 0.00 0.00 174.94 177.71 2g1d n LYS 6 N 1.94 2.21 -2.60 0.37 0.00 -0.09 -5.03 118.16 114.96 2g1d n LYS 6 Ca -0.17 -3.85 -0.41 0.00 0.00 0.00 0.00 58.31 53.88 2g1d n LYS 6 Cb 0.53 -1.73 -0.04 0.00 0.00 0.00 0.00 35.03 33.79 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 -3.30 4.61 -0.18 1.64 8.01 -1.25 -2.61 118.70 125.61 2g1d s GLU 7 Ca 0.37 1.59 -0.00 0.00 0.01 0.00 0.00 54.97 56.94 2g1d s GLU 7 Cb 0.43 -3.34 0.05 0.00 -4.31 0.00 0.00 34.13 26.95 2g1d s GLU 7 CO -0.07 0.08 -0.05 0.15 0.01 0.00 0.00 175.26 175.37 2g1d s LYS 8 N 0.08 1.50 -0.22 1.61 -0.14 -0.81 -4.92 119.74 116.84 2g1d s LYS 8 Ca 0.50 -0.63 -0.10 0.00 -1.36 0.00 0.00 55.97 54.38 2g1d s LYS 8 Cb -0.26 -2.17 -0.05 0.00 -1.68 0.00 0.00 37.83 33.67 2g1d s LYS 8 CO 0.32 -0.47 0.13 0.50 -0.76 0.00 0.00 175.35 175.07 2g1d s ARG 9 N 1.57 4.07 -0.18 1.68 3.52 -1.26 -0.01 118.95 128.34 2g1d s ARG 9 Ca -0.01 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2g1d s ARG 9 Cb -0.16 -3.45 0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2g1d s ARG 9 CO -0.08 0.14 -0.09 0.34 -0.81 0.00 0.00 175.30 174.80 2g1d s ASP 10 N 0.81 3.03 -0.28 -2.12 2.15 -0.46 -4.94 116.67 114.86 2g1d s ASP 10 Ca 0.07 -0.72 -0.02 0.00 0.43 0.00 0.00 52.55 52.31 2g1d s ASP 10 Cb -0.13 -1.09 0.04 0.00 -0.30 0.00 0.00 42.92 41.44 2g1d s ASP 10 CO 0.02 -0.15 -0.02 0.20 -0.17 0.00 0.00 175.17 175.06 2g1d s ASN 11 N 1.51 4.66 0.00 -0.34 -0.87 -1.22 -1.81 114.94 116.88 2g1d s ASN 11 Ca 0.01 -1.07 0.00 0.00 -1.57 0.00 0.00 52.86 50.23 2g1d s ASN 11 Cb -0.15 -1.70 0.00 0.00 -0.02 0.00 0.00 41.25 39.38 2g1d s ASN 11 CO -0.08 -0.20 0.00 -0.81 -2.57 0.00 0.00 177.10 173.44 2g1d n PRO 12 N 4.66 0.00 0.02 -0.60 -0.04 -1.26 -4.71 135.00 133.07 2g1d n PRO 12 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2g1d n PRO 12 Cb 0.45 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.96 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 1.34 -0.53 0.52 -2.65 -2.01 -3.27 117.51 110.90 2g1d h ILE 13 Ca 0.00 -1.90 0.00 0.00 1.03 0.00 0.00 64.86 63.99 2g1d h ILE 13 Cb 0.00 1.88 0.00 0.00 -2.05 0.00 0.00 36.82 36.65 2g1d h ILE 13 CO 0.00 0.58 0.00 0.00 0.03 0.00 0.00 178.15 178.76 2g1d n LEU 14 N -3.92 3.63 -3.91 0.16 -0.00 -1.26 -5.02 117.00 106.69 2g1d n LEU 14 Ca -0.04 -2.13 -0.31 0.00 -0.00 0.00 0.00 56.01 53.54 2g1d n LEU 14 Cb 0.64 -0.40 -0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2g1d n LEU 14 CO 0.47 0.84 -0.19 2.29 -0.00 0.00 0.00 177.39 180.80 2g1d n LYS 15 N 0.96 -2.00 -3.94 1.47 0.00 -1.24 -4.31 118.16 109.10 2g1d n LYS 15 Ca 0.19 0.35 -0.21 0.00 -0.00 0.00 0.00 58.31 58.64 2g1d n LYS 15 Cb 0.60 -4.04 -0.03 0.00 -0.00 0.00 0.00 35.03 31.56 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 -6.56 3.08 0.04 -1.58 3.52 -0.75 -2.38 118.95 114.33 2g1d s ARG 16 Ca 0.22 -0.99 0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2g1d s ARG 16 Cb -0.09 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.59 2g1d s ARG 16 CO 0.90 0.32 -0.09 0.21 -0.81 0.00 0.00 175.30 175.82 2g1d s LYS 17 N -3.95 0.60 -0.23 5.12 2.36 -1.10 -1.36 119.74 121.17 2g1d s LYS 17 Ca 0.36 -0.75 -0.01 0.00 -2.55 0.00 0.00 55.97 53.02 2g1d s LYS 17 Cb -0.08 -0.44 0.07 0.00 -1.05 0.00 0.00 37.83 36.32 2g1d s LYS 17 CO 0.27 0.09 0.01 -1.21 1.55 0.00 0.00 175.35 176.07 2g1d s GLU 18 N -1.48 1.07 0.05 4.03 2.02 0.98 -2.91 118.70 122.46 2g1d s GLU 18 Ca -0.07 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.15 2g1d s GLU 18 Cb -0.09 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 2g1d s GLU 18 CO 0.01 -0.69 -0.10 0.96 0.02 0.00 0.00 175.26 175.45 2g1d s ILE 19 N 1.61 0.75 -0.21 -1.63 -0.00 -1.03 -1.93 121.20 118.76 2g1d s ILE 19 Ca -0.01 -1.17 -0.10 0.00 -0.00 0.00 0.00 60.65 59.37 2g1d s ILE 19 Cb -0.18 -0.78 -0.05 0.00 -0.00 0.00 0.00 42.46 41.45 2g1d s ILE 19 CO -0.10 -0.33 0.15 -1.59 -0.00 0.00 0.00 174.94 173.07 2g1d s LYS 20 N -1.65 4.17 0.07 0.37 0.00 -1.07 0.15 119.74 121.78 2g1d s LYS 20 Ca -0.07 -0.21 0.01 0.00 0.00 0.00 0.00 55.97 55.70 2g1d s LYS 20 Cb -0.10 -3.45 -0.04 0.00 0.00 0.00 0.00 37.83 34.25 2g1d s LYS 20 CO 0.01 0.24 -0.05 1.52 0.00 0.00 0.00 175.35 177.07 2g1d s TYR 21 N 0.53 0.69 -0.03 1.78 1.13 -0.81 -0.91 117.35 119.72 2g1d s TYR 21 Ca 0.08 -0.90 0.01 0.00 -1.41 0.00 0.00 57.07 54.86 2g1d s TYR 21 Cb -0.12 -0.43 0.02 0.00 -1.10 0.00 0.00 41.96 40.33 2g1d s TYR 21 CO -0.00 -0.23 -0.03 0.08 -2.51 0.00 0.00 175.55 172.86 2g1d s VAL 22 N -3.33 0.41 -0.20 -3.49 1.01 -0.27 -1.26 120.40 113.27 2g1d s VAL 22 Ca 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2g1d s VAL 22 Cb 0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2g1d s VAL 22 CO -0.06 0.18 -0.01 -0.22 0.00 0.00 0.00 175.10 175.00 2g1d s LEU 23 N 0.77 3.21 -0.27 3.92 2.96 0.46 0.27 118.68 130.00 2g1d s LEU 23 Ca -0.09 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 2g1d s LEU 23 Cb -0.12 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 2g1d s LEU 23 CO -0.00 0.07 0.17 -0.54 -1.32 0.00 0.00 176.35 174.72 2g1d s LYS 24 N 0.99 3.92 -0.09 1.98 1.02 0.35 -1.03 119.74 126.88 2g1d s LYS 24 Ca 0.01 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.70 2g1d s LYS 24 Cb -0.14 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2g1d s LYS 24 CO 0.01 -0.16 -0.19 -0.59 -0.92 0.00 0.00 175.35 173.50 2g1d s PHE 25 N 1.69 2.62 0.96 3.18 -0.71 -1.25 0.16 117.98 124.63 2g1d s PHE 25 Ca 0.07 -0.64 -0.14 0.00 -1.04 0.00 0.00 56.93 55.17 2g1d s PHE 25 Cb -0.16 -1.70 0.17 0.00 -1.21 0.00 0.00 43.02 40.13 2g1d s PHE 25 CO 0.10 -0.17 1.18 0.16 -1.34 0.00 0.00 175.22 175.15 2g1d s ASP 26 N -0.03 3.08 0.00 1.98 -4.77 -1.26 -4.69 116.67 110.97 2g1d s ASP 26 Ca -0.06 0.71 0.00 0.00 -3.30 0.00 0.00 52.55 49.91 2g1d s ASP 26 Cb -0.15 -1.08 0.00 0.00 -1.09 0.00 0.00 42.92 40.60 2g1d s ASP 26 CO 0.05 -2.79 0.29 -1.20 0.70 0.00 0.00 175.17 172.21 2g1d n SER 27 N -3.89 0.00 -3.49 2.11 7.64 -1.26 -3.49 113.62 111.24 2g1d n SER 27 Ca 0.10 0.29 -0.37 0.00 1.01 0.00 0.00 58.87 59.90 2g1d n SER 27 Cb 0.60 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 2g1d n SER 27 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2g1d n SER 28 N -0.34 3.71 -4.94 6.43 3.41 -1.26 -4.89 113.62 115.74 2g1d n SER 28 Ca 0.00 -2.59 -0.26 0.00 -0.26 0.00 0.00 58.87 55.76 2g1d n SER 28 Cb 0.00 -1.20 -0.03 0.00 -0.26 0.00 0.00 64.21 62.72 2g1d n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g1d s ARG 29 N 4.15 3.45 -0.23 4.33 1.04 -1.23 -5.10 118.95 125.36 2g1d s ARG 29 Ca 0.51 -0.57 0.01 0.00 -1.04 0.00 0.00 55.73 54.64 2g1d s ARG 29 Cb 0.13 -2.95 0.04 0.00 -2.04 0.00 0.00 34.95 30.14 2g1d s ARG 29 CO 0.04 0.50 -0.13 -0.08 -0.04 0.00 0.00 175.30 175.59 2g1d s THR 30 N -1.77 2.30 0.08 4.99 -1.32 -1.26 -5.07 115.64 113.59 2g1d s THR 30 Ca 0.35 -1.26 -0.35 0.00 -1.21 0.00 0.00 61.69 59.22 2g1d s THR 30 Cb -0.11 -2.19 -0.14 0.00 -1.51 0.00 0.00 72.50 68.55 2g1d s THR 30 CO 0.29 0.21 1.61 -2.65 -2.21 0.00 0.00 174.62 171.87 2g1d n PRO 31 N 4.55 1.94 -4.32 7.08 -0.02 -1.26 -4.98 135.00 137.99 2g1d n PRO 31 Ca -0.17 0.70 -0.24 0.00 -2.02 0.00 0.00 63.50 61.77 2g1d n PRO 31 Cb 0.46 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 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 1.61 2.71 -0.08 2.55 0.15 -1.26 -5.06 113.70 114.33 2g1d s SER 32 Ca 0.83 -0.75 -0.27 0.00 0.70 0.00 0.00 55.95 56.47 2g1d s SER 32 Cb -0.75 -0.16 -0.22 0.00 -1.71 0.00 0.00 66.02 63.18 2g1d s SER 32 CO 0.43 0.05 1.01 -0.09 1.20 0.00 0.00 173.24 175.84 2g1d h ARG 33 N 3.79 -0.01 -0.02 5.44 2.43 -2.00 -3.24 114.38 120.77 2g1d h ARG 33 Ca -0.46 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.48 2g1d h ARG 33 Cb 1.19 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2g1d h ARG 33 CO 0.43 0.70 -0.89 1.49 -1.51 0.00 0.00 179.97 180.19 2g1d h GLU 34 N -0.75 0.63 0.10 0.20 4.81 -1.97 -2.75 114.58 114.85 2g1d h GLU 34 Ca -0.00 -0.66 0.01 0.00 -0.13 0.00 0.00 59.36 58.58 2g1d h GLU 34 Cb 0.72 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2g1d h GLU 34 CO 0.00 1.26 -0.15 1.49 -0.73 0.00 0.00 179.01 180.88 2g1d h GLU 35 N 0.26 -0.29 0.11 1.92 4.57 -1.97 0.46 114.58 119.64 2g1d h GLU 35 Ca -0.11 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2g1d h GLU 35 Cb 1.55 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2g1d h GLU 35 CO 0.18 -0.20 -0.05 0.97 -1.18 0.00 0.00 179.01 178.73 2g1d h ILE 36 N -0.30 0.90 0.48 2.32 2.10 -1.70 -2.46 117.51 118.84 2g1d h ILE 36 Ca 0.02 -1.31 -0.02 0.00 1.08 0.00 0.00 64.86 64.63 2g1d h ILE 36 Cb 0.32 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2g1d h ILE 36 CO -0.08 0.26 -0.23 0.11 -1.08 0.00 0.00 178.15 177.13 2g1d h LYS 37 N -0.90 -0.62 -0.48 2.19 1.57 -1.54 0.68 116.57 117.48 2g1d h LYS 37 Ca -0.02 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2g1d h LYS 37 Cb 0.54 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2g1d h LYS 37 CO 0.03 -0.40 -0.00 1.05 -0.57 0.00 0.00 179.45 179.55 2g1d h GLU 38 N -0.66 0.80 -0.33 3.15 4.11 -0.22 0.25 114.58 121.69 2g1d h GLU 38 Ca -0.07 -0.22 -0.11 0.00 0.07 0.00 0.00 59.36 59.03 2g1d h GLU 38 Cb 0.50 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2g1d h GLU 38 CO 0.11 0.81 -0.25 1.25 0.07 0.00 0.00 179.01 181.00 2g1d h LEU 39 N 0.75 0.66 0.04 3.06 6.46 -1.27 -2.31 115.31 122.71 2g1d h LEU 39 Ca 0.14 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2g1d h LEU 39 Cb 0.46 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2g1d h LEU 39 CO 0.02 0.90 -0.02 0.16 -0.62 0.00 0.00 178.44 178.88 2g1d h ILE 40 N 0.57 1.03 0.19 4.05 3.07 0.94 -3.05 117.51 124.31 2g1d h ILE 40 Ca 0.08 -1.61 -0.01 0.00 1.55 0.00 0.00 64.86 64.87 2g1d h ILE 40 Cb 0.73 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 2g1d h ILE 40 CO 0.06 0.33 -0.09 0.00 -1.05 0.00 0.00 178.15 177.39 2g1d h ALA 41 N -0.35 -0.25 -0.23 0.16 0.00 -0.61 1.13 119.26 119.12 2g1d h ALA 41 Ca -0.01 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2g1d h ALA 41 Cb 0.58 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2g1d h ALA 41 CO 0.01 -0.58 -0.12 0.87 0.00 0.00 0.00 179.25 179.44 2g1d h LYS 42 N -0.38 -0.09 -0.22 0.00 1.57 -0.04 0.69 116.57 118.11 2g1d h LYS 42 Ca -0.03 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2g1d h LYS 42 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2g1d h LYS 42 CO 0.04 -0.06 -0.09 0.45 -0.57 0.00 0.00 179.45 179.22 2g1d h HIS 43 N -0.09 0.36 0.00 -1.35 3.86 -1.47 -1.21 115.15 115.25 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 0.28 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2g1d h HIS 43 CO -0.29 0.44 0.00 0.39 0.86 0.00 0.00 177.93 179.33 2g1d n GLU 44 N -4.27 0.10 -0.30 2.45 1.02 0.39 -4.71 120.64 115.32 2g1d n GLU 44 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2g1d n GLU 44 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.79 1.09 3.61 0.62 0.00 -0.30 -4.49 105.19 104.93 2g1d n GLY 45 Ca 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 0.84 1.61 -7.23 0.11 -4.88 120.40 108.87 2g1d s VAL 46 Ca 0.00 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 2g1d s VAL 46 Cb 0.00 -2.00 0.19 0.00 0.56 0.00 0.00 36.38 35.14 2g1d s VAL 46 CO 0.00 -0.05 1.14 0.47 -0.31 0.00 0.00 175.10 176.35 2g1d n ASP 47 N -0.38 0.03 0.19 4.85 9.92 -1.26 -0.27 116.55 129.63 2g1d n ASP 47 Ca -0.04 -1.40 0.05 0.00 -0.53 0.00 0.00 54.79 52.86 2g1d n ASP 47 Cb 0.62 -0.87 0.39 0.00 -0.64 0.00 0.00 41.12 40.61 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 -0.29 -1.24 5.09 -1.91 -3.04 116.57 115.19 2g1d h LYS 48 Ca -0.37 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.19 2g1d h LYS 48 Cb 1.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.35 2g1d h LYS 48 CO 0.26 0.36 -0.51 0.93 -2.09 0.00 0.00 179.45 178.40 2g1d h GLU 49 N 0.00 0.85 -0.01 0.07 4.39 -1.94 -3.09 114.58 114.85 2g1d h GLU 49 Ca -0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2g1d h GLU 49 Cb 0.74 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2g1d h GLU 49 CO 0.05 1.17 0.00 1.28 -1.16 0.00 0.00 179.01 180.35 2g1d n LEU 50 N -4.05 0.01 -4.58 1.33 4.77 -0.72 -4.68 117.00 109.09 2g1d n LEU 50 Ca -0.04 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2g1d n LEU 50 Cb 0.61 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 2g1d n LEU 50 CO 0.50 0.00 0.51 -0.69 -1.33 0.00 0.00 177.39 176.37 2g1d s VAL 51 N -1.98 4.79 -0.24 4.08 1.01 -1.17 0.27 120.40 127.16 2g1d s VAL 51 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 2g1d s VAL 51 Cb 0.00 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.29 2g1d s VAL 51 CO 0.00 -0.39 0.05 -0.63 0.00 0.00 0.00 175.10 174.13 2g1d s ILE 52 N 2.96 0.69 -0.15 2.22 1.01 -0.44 -4.90 121.20 122.59 2g1d s ILE 52 Ca 0.29 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 2g1d s ILE 52 Cb -0.14 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.08 2g1d s ILE 52 CO 0.16 -0.38 0.02 0.68 0.00 0.00 0.00 174.94 175.42 2g1d s VAL 53 N 1.75 0.49 0.20 2.92 -7.23 -1.26 -1.32 120.40 115.96 2g1d s VAL 53 Ca 0.03 -0.33 0.10 0.00 -1.81 0.00 0.00 61.98 59.97 2g1d s VAL 53 Cb -0.17 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2g1d s VAL 53 CO -0.15 -0.04 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.65 2g1d s ASP 54 N 1.89 3.98 0.49 4.85 1.11 -1.26 -4.98 116.67 122.76 2g1d s ASP 54 Ca 0.01 -0.71 0.00 0.00 0.18 0.00 0.00 52.55 52.03 2g1d s ASP 54 Cb -0.15 -0.56 0.00 0.00 1.07 0.00 0.00 42.92 43.28 2g1d s ASP 54 CO -0.07 0.09 0.00 0.59 1.18 0.00 0.00 175.17 176.96 2g1d n ASN 55 N -0.06 0.00 -0.34 0.27 4.13 -1.26 -4.83 115.26 113.16 2g1d n ASN 55 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2g1d n ASN 55 Cb 0.56 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 2g1d n ASN 55 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2g1d n ASN 56 N 6.42 -0.85 -4.62 6.41 3.02 -1.26 -4.97 115.26 119.40 2g1d n ASN 56 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2g1d n ASN 56 Cb 0.00 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.73 2g1d n ASN 56 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2g1d s LYS 57 N -2.02 3.88 -0.05 3.52 -2.85 0.34 -4.77 119.74 117.79 2g1d s LYS 57 Ca 0.00 1.11 -0.21 0.00 -1.00 0.00 0.00 55.97 55.87 2g1d s LYS 57 Cb 0.00 -3.88 -0.05 0.00 -2.06 0.00 0.00 37.83 31.85 2g1d s LYS 57 CO 0.00 -1.17 0.59 -1.14 0.10 0.00 0.00 175.35 173.74 2g1d s GLN 58 N 4.21 4.35 -0.25 1.78 0.74 -1.22 -2.93 119.66 126.34 2g1d s GLN 58 Ca 0.54 0.70 0.01 0.00 0.05 0.00 0.00 55.36 56.67 2g1d s GLN 58 Cb -0.15 -3.39 0.05 0.00 1.10 0.00 0.00 33.01 30.62 2g1d s GLN 58 CO 0.24 0.23 -0.10 -0.48 -0.55 0.00 0.00 175.29 174.63 2g1d s LEU 59 N 0.28 3.27 1.15 3.68 -0.00 -1.26 -4.97 118.68 120.83 2g1d s LEU 59 Ca 0.32 -1.20 -0.12 0.00 -0.00 0.00 0.00 54.13 53.12 2g1d s LEU 59 Cb -0.17 -1.58 0.28 0.00 -0.00 0.00 0.00 46.19 44.72 2g1d s LEU 59 CO 0.16 -0.16 1.04 0.42 -0.00 0.00 0.00 176.35 177.80 2g1d s THR 60 N 1.18 2.00 0.00 5.48 -4.23 -1.26 -4.34 115.64 114.47 2g1d s THR 60 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2g1d s THR 60 Cb -0.18 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2g1d s THR 60 CO -0.06 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2g1d n GLY 61 N 0.92 2.10 0.77 3.99 0.00 -1.26 -5.07 105.19 106.64 2g1d n GLY 61 Ca 0.04 0.00 -0.04 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 -0.43 0.12 -1.27 1.61 5.02 -1.26 -5.07 118.16 116.88 2g1d n LYS 62 Ca 0.00 -0.73 -0.11 0.00 -2.02 0.00 0.00 58.31 55.45 2g1d n LYS 62 Cb 0.00 0.64 0.12 0.00 -0.02 0.00 0.00 35.03 35.77 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 -0.14 1.54 -4.32 2.13 8.25 -1.26 -5.01 115.22 116.41 2g1d n HIS 63 Ca 0.01 -1.91 -0.19 0.00 -0.26 0.00 0.00 57.72 55.36 2g1d n HIS 63 Cb 0.14 -0.41 -0.11 0.00 1.12 0.00 0.00 29.99 30.73 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 -3.43 1.24 -0.06 -0.41 2.02 -1.26 -3.74 118.70 113.05 2g1d s GLU 64 Ca 0.46 -1.44 0.02 0.00 0.02 0.00 0.00 54.97 54.03 2g1d s GLU 64 Cb 0.40 -1.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 2g1d s GLU 64 CO -0.01 0.21 -0.10 -1.50 0.02 0.00 0.00 175.26 173.88 2g1d s ILE 65 N -2.48 3.47 0.34 -1.63 2.07 -0.20 -4.73 121.20 118.04 2g1d s ILE 65 Ca 0.17 -0.57 0.09 0.00 -1.41 0.00 0.00 60.65 58.93 2g1d s ILE 65 Cb -0.03 -2.40 -0.06 0.00 0.13 0.00 0.00 42.46 40.10 2g1d s ILE 65 CO 0.06 0.59 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.96 2g1d s GLU 66 N -0.75 2.01 0.00 3.50 2.12 -1.15 -0.40 118.70 124.02 2g1d s GLU 66 Ca 0.12 -1.79 0.00 0.00 0.36 0.00 0.00 54.97 53.65 2g1d s GLU 66 Cb -0.11 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.41 2g1d s GLU 66 CO 0.01 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 2g1d n GLY 67 N -0.91 -0.51 3.17 -1.50 0.00 -0.39 0.13 105.19 105.18 2g1d n GLY 67 Ca -0.04 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.33 2.02 0.04 1.61 -0.85 -1.26 -1.92 117.35 113.65 2g1d s TYR 68 Ca 0.00 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 55.92 2g1d s TYR 68 Cb 0.00 -1.36 -0.04 0.00 0.38 0.00 0.00 41.96 40.95 2g1d s TYR 68 CO 0.00 -0.24 -0.02 -0.08 -1.52 0.00 0.00 175.55 173.69 2g1d s THR 69 N 0.13 3.94 -0.02 -3.49 -1.32 0.12 -4.63 115.64 110.37 2g1d s THR 69 Ca -0.08 -0.82 0.07 0.00 -1.21 0.00 0.00 61.69 59.66 2g1d s THR 69 Cb -0.14 -2.80 -0.02 0.00 -1.51 0.00 0.00 72.50 68.04 2g1d s THR 69 CO 0.04 0.27 -0.25 -0.75 -2.21 0.00 0.00 174.62 171.73 2g1d s LYS 70 N -1.83 2.07 0.03 7.08 2.20 -0.43 -2.46 119.74 126.40 2g1d s LYS 70 Ca 0.21 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 54.97 2g1d s LYS 70 Cb -0.11 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.22 2g1d s LYS 70 CO 0.13 0.51 -0.10 0.42 -0.36 0.00 0.00 175.35 175.95 2g1d s ILE 71 N -0.52 0.74 -0.30 5.43 1.01 -1.15 -1.33 121.20 125.08 2g1d s ILE 71 Ca 0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 2g1d s ILE 71 Cb -0.10 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.72 2g1d s ILE 71 CO -0.00 -0.06 0.01 -0.72 0.00 0.00 0.00 174.94 174.16 2g1d s TYR 72 N -0.77 3.22 -1.74 3.97 1.13 0.14 -2.72 117.35 120.58 2g1d s TYR 72 Ca -0.02 -1.71 0.26 0.00 -1.41 0.00 0.00 57.07 54.20 2g1d s TYR 72 Cb -0.07 -2.13 0.74 0.00 -1.10 0.00 0.00 41.96 39.41 2g1d s TYR 72 CO 0.00 -0.77 1.56 0.00 -2.51 0.00 0.00 175.55 173.84 2g1d n ALA 73 N 4.67 3.09 1.27 9.51 0.00 -1.00 -1.75 120.51 136.30 2g1d n ALA 73 Ca -0.14 -0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.00 2g1d n ALA 73 Cb 0.44 -1.13 0.61 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.66 0.00 -0.33 0.00 5.68 -1.26 -4.15 116.55 115.83 2g1d n ASP 74 Ca 0.12 -0.53 0.27 0.00 -0.50 0.00 0.00 54.79 54.14 2g1d n ASP 74 Cb 0.35 -0.06 0.51 0.00 -1.14 0.00 0.00 41.12 40.78 2g1d n ASP 74 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2g1d h LYS 75 N 0.00 0.13 -0.88 0.11 2.10 -1.92 0.11 116.57 116.22 2g1d h LYS 75 Ca 0.00 -0.01 0.24 0.00 -2.00 0.00 0.00 60.65 58.88 2g1d h LYS 75 Cb 0.04 -0.03 -0.14 0.00 -0.90 0.00 0.00 32.23 31.20 2g1d h LYS 75 CO 0.00 0.09 0.22 -1.00 -2.00 0.00 0.00 179.45 176.76 2g1d h PRO 76 N 0.13 0.18 0.00 0.07 0.13 -1.96 1.03 132.00 131.59 2g1d h PRO 76 Ca 0.77 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.71 2g1d h PRO 76 Cb 1.89 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.96 2g1d h PRO 76 CO -0.71 0.12 -0.84 0.77 -0.23 0.00 0.00 178.00 177.11 2g1d h SER 77 N 0.19 0.06 0.14 1.44 0.02 -1.14 -1.97 113.55 112.30 2g1d h SER 77 Ca 0.56 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 2g1d h SER 77 Cb 1.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2g1d h SER 77 CO -0.67 0.87 -0.07 0.00 -1.14 0.00 0.00 176.83 175.82 2g1d h ALA 78 N 1.12 -0.18 -0.15 3.77 0.00 0.11 1.08 119.26 125.01 2g1d h ALA 78 Ca -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2g1d h ALA 78 Cb 1.48 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2g1d h ALA 78 CO 0.11 -0.39 -0.15 0.00 0.00 0.00 0.00 179.25 178.83 2g1d h MET 79 N -0.61 0.37 0.16 0.00 -0.00 0.28 0.56 114.93 115.68 2g1d h MET 79 Ca -0.02 -0.20 -0.28 0.00 -0.00 0.00 0.00 59.70 59.21 2g1d h MET 79 Cb 0.47 0.01 0.03 0.00 -0.00 0.00 0.00 31.60 32.11 2g1d h MET 79 CO 0.03 0.75 -1.19 -0.07 -0.00 0.00 0.00 176.91 176.43 2g1d h LEU 80 N 0.01 0.77 0.00 -0.10 3.38 -1.45 -3.39 115.31 114.53 2g1d h LEU 80 Ca 0.02 -0.87 -0.35 0.00 0.09 0.00 0.00 57.88 56.77 2g1d h LEU 80 Cb 0.68 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2g1d h LEU 80 CO 0.04 1.58 -2.33 0.00 0.09 0.00 0.00 178.44 177.81 2g1d n TYR 81 N -3.87 0.00 -0.70 1.13 4.19 0.31 -5.04 117.16 113.18 2g1d n TYR 81 Ca -0.15 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.07 2g1d n TYR 81 Cb 0.97 -0.92 -0.00 0.00 0.49 0.00 0.00 39.34 39.88 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 -3.01 -1.82 0.00 2.98 -0.58 0.24 -4.29 120.64 114.16 2g1d n GLU 82 Ca -0.38 1.42 0.08 0.00 -0.42 0.00 0.00 57.16 57.86 2g1d n GLU 82 Cb 1.01 -1.80 0.36 0.00 -0.57 0.00 0.00 31.44 30.44 2g1d n GLU 82 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2g1d n PRO 83 N -2.12 0.11 0.00 3.49 -0.04 -1.26 -2.66 135.00 132.52 2g1d n PRO 83 Ca -0.00 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2g1d n PRO 83 Cb 0.23 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.40 0.00 -3.69 3.54 8.00 -1.26 -4.33 116.55 117.42 2g1d n ASP 84 Ca 0.06 -0.35 -0.29 0.00 0.71 0.00 0.00 54.79 54.92 2g1d n ASP 84 Cb 0.15 -0.19 -0.13 0.00 -0.02 0.00 0.00 41.12 40.93 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 -2.39 1.93 -0.20 1.24 2.02 -1.09 -5.09 117.35 113.78 2g1d s TYR 85 Ca 0.31 -2.42 -0.01 0.00 -0.37 0.00 0.00 57.07 54.58 2g1d s TYR 85 Cb 0.18 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2g1d s TYR 85 CO 0.38 -0.78 -0.14 -2.00 -1.57 0.00 0.00 175.55 171.45 2g1d s GLU 86 N 0.28 3.08 -0.16 -0.62 2.56 -1.26 -4.89 118.70 117.69 2g1d s GLU 86 Ca 0.19 -0.79 -0.21 0.00 0.00 0.00 0.00 54.97 54.16 2g1d s GLU 86 Cb -0.21 -2.75 -0.18 0.00 2.00 0.00 0.00 34.13 32.99 2g1d s GLU 86 CO -0.02 -0.23 0.40 1.25 -0.56 0.00 0.00 175.26 176.10 2g1d h LEU 87 N 7.99 0.00 0.00 2.70 6.46 -1.98 -3.47 115.31 127.01 2g1d h LEU 87 Ca -0.43 -0.62 0.00 0.00 -0.12 0.00 0.00 57.88 56.72 2g1d h LEU 87 Cb 1.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2g1d h LEU 87 CO 0.62 1.07 0.00 0.00 -0.62 0.00 0.00 178.44 179.51 2g1d n ILE 88 N -4.58 0.00 -4.17 4.05 0.13 -1.26 -5.04 119.36 108.48 2g1d n ILE 88 Ca -0.16 0.00 -0.33 0.00 -1.10 0.00 0.00 62.75 61.16 2g1d n ILE 88 Cb 0.46 -0.04 -0.03 0.00 -0.84 0.00 0.00 39.64 39.19 2g1d n ILE 88 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 2g1d n ARG 89 N -1.73 -2.94 -4.46 9.51 1.85 -1.26 -4.95 116.66 112.68 2g1d n ARG 89 Ca 0.00 0.35 -0.23 0.00 -1.00 0.00 0.00 57.85 56.97 2g1d n ARG 89 Cb 0.00 -4.82 -0.10 0.00 -1.05 0.00 0.00 32.46 26.48 2g1d n ARG 89 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2g1d s ASN 90 N -3.65 3.04 -0.03 2.89 -0.87 -1.26 -5.05 114.94 110.01 2g1d s ASN 90 Ca 0.50 -1.20 0.06 0.00 -1.57 0.00 0.00 52.86 50.65 2g1d s ASN 90 Cb -0.27 -0.22 0.14 0.00 -0.02 0.00 0.00 41.25 40.87 2g1d s ASN 90 CO 0.93 -0.31 1.10 0.61 -2.57 0.00 0.00 177.10 176.86 2g1d n GLY 91 N -0.65 3.30 1.80 0.66 0.00 -1.26 -5.09 105.19 103.95 2g1d n GLY 91 Ca -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2g1d n GLY 91 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2g1d n LEU 92 N -0.44 -5.84 -3.56 0.99 -0.00 -1.26 -5.03 117.00 101.86 2g1d n LEU 92 Ca 0.06 2.95 -0.21 0.00 -0.00 0.00 0.00 56.01 58.80 2g1d n LEU 92 Cb 0.38 -2.84 -0.15 0.00 -0.00 0.00 0.00 43.42 40.81 2g1d n LEU 92 CO 0.03 -1.09 -0.26 -0.75 -0.00 0.00 0.00 177.39 175.31 2g1d s LYS 93 N -1.59 0.12 -0.58 1.96 2.20 -1.26 -4.97 119.74 115.62 2g1d s LYS 93 Ca 0.00 0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.71 2g1d s LYS 93 Cb 0.00 -1.38 0.33 0.00 -1.51 0.00 0.00 37.83 35.27 2g1d s LYS 93 CO 0.00 -0.63 2.11 0.00 -0.36 0.00 0.00 175.35 176.47 2g1d n GLN 94 N 5.30 2.42 -1.87 4.03 10.64 -1.26 -4.79 117.38 131.86 2g1d n GLN 94 Ca -0.06 -2.75 -0.20 0.00 -1.83 0.00 0.00 57.00 52.16 2g1d n GLN 94 Cb 0.49 -2.09 -0.06 0.00 -0.86 0.00 0.00 30.24 27.73 2g1d n GLN 94 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2g1d n LYS 95 N -0.33 -1.54 0.00 2.61 4.81 -1.26 -4.85 118.16 117.60 2g1d n LYS 95 Ca 0.51 1.13 0.00 0.00 -0.87 0.00 0.00 58.31 59.08 2g1d n LYS 95 Cb 0.56 -5.61 0.00 0.00 0.02 0.00 0.00 35.03 30.01 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 -2.57 0.00 0.09 1.64 0.28 -1.26 -5.07 120.64 113.74 2g1d n GLU 96 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 2g1d n GLU 96 Cb 0.67 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.54 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 0.00 0.00 1.25 -1.84 0.00 -1.26 -5.06 120.51 113.60 2g1d n ALA 97 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2g1d n ALA 97 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 2g1d n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67