#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d n PHE 2 N 0.00 -1.61 -2.68 2.03 3.72 -1.26 -0.98 117.46 116.68 3e1d n PHE 2 Ca 0.00 0.83 -0.08 0.00 -0.05 0.00 0.00 57.45 58.15 3e1d n PHE 2 Cb 0.00 -1.46 0.05 0.00 -0.94 0.00 0.00 39.48 37.12 3e1d n PHE 2 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3e1d n THR 3 N -2.78 0.84 -1.55 4.37 -2.24 -1.26 -4.00 114.28 107.66 3e1d n THR 3 Ca -0.01 -2.78 -0.34 0.00 -2.27 0.00 0.00 64.05 58.64 3e1d n THR 3 Cb 0.58 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 3e1d n THR 3 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3e1d n ILE 4 N -0.19 -0.08 -1.66 2.28 5.41 -1.05 -4.77 119.36 119.30 3e1d n ILE 4 Ca 0.07 -0.78 -0.43 0.00 1.00 0.00 0.00 62.75 62.60 3e1d n ILE 4 Cb 0.82 -2.74 -0.01 0.00 -0.71 0.00 0.00 39.64 37.01 3e1d n ILE 4 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3e1d n ASN 5 N 16.14 2.35 -3.64 4.38 6.94 -1.26 -2.12 115.26 138.05 3e1d n ASN 5 Ca 0.38 1.19 -0.02 0.00 -0.02 0.00 0.00 54.58 56.11 3e1d n ASN 5 Cb 0.54 -1.42 -0.01 0.00 -2.36 0.00 0.00 39.78 36.52 3e1d n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3e1d s ALA 6 N -0.98 -1.98 0.15 -2.53 0.00 -1.26 -3.21 121.76 111.95 3e1d s ALA 6 Ca 0.58 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 3e1d s ALA 6 Cb -0.62 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3e1d s ALA 6 CO 0.60 -0.92 0.05 -2.00 0.00 0.00 0.00 175.76 173.50 3e1d s GLU 7 N -2.77 1.00 0.11 0.00 -6.30 -1.00 -4.79 118.70 104.94 3e1d s GLU 7 Ca 0.11 -1.49 -0.30 0.00 -2.50 0.00 0.00 54.97 50.80 3e1d s GLU 7 Cb 0.01 0.12 -0.06 0.00 0.00 0.00 0.00 34.13 34.20 3e1d s GLU 7 CO -0.03 -0.25 1.16 0.08 0.02 0.00 0.00 175.26 176.25 3e1d s VAL 8 N -3.97 3.96 -0.42 3.70 1.01 -1.26 -0.36 120.40 123.06 3e1d s VAL 8 Ca 0.26 1.51 -0.41 0.00 0.00 0.00 0.00 61.98 63.33 3e1d s VAL 8 Cb 0.07 -3.96 -0.18 0.00 0.00 0.00 0.00 36.38 32.31 3e1d s VAL 8 CO 0.04 0.17 1.39 -1.14 0.00 0.00 0.00 175.10 175.55 3e1d n ARG 9 N 3.30 0.00 -0.08 2.72 0.63 -0.55 -4.78 116.66 117.89 3e1d n ARG 9 Ca 0.06 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.83 3e1d n ARG 9 Cb 0.46 -1.32 -0.11 0.00 0.45 0.00 0.00 32.46 31.95 3e1d n ARG 9 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3e1d h LYS 10 N 4.32 0.00 -6.29 -0.14 3.11 -1.94 -3.49 116.57 112.14 3e1d h LYS 10 Ca -0.39 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 56.86 3e1d h LYS 10 Cb 1.20 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.31 3e1d h LYS 10 CO 0.85 0.88 -0.70 -1.21 -2.81 0.00 0.00 179.45 176.46 3e1d s GLU 11 N -2.24 2.09 0.00 1.90 2.02 -1.26 -5.07 118.70 116.14 3e1d s GLU 11 Ca -0.22 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.33 3e1d s GLU 11 Cb 0.01 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3e1d s GLU 11 CO 0.57 0.38 0.02 0.00 0.02 0.00 0.00 175.26 176.26 3e1d n GLN 12 N -0.52 0.06 -1.18 1.61 10.64 -1.26 -4.84 117.38 121.89 3e1d n GLN 12 Ca -0.08 -0.02 -0.29 0.00 -1.83 0.00 0.00 57.00 54.78 3e1d n GLN 12 Cb 0.58 -0.41 0.23 0.00 -0.86 0.00 0.00 30.24 29.78 3e1d n GLN 12 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3e1d n GLY 13 N 0.01 -2.48 0.18 2.61 0.00 -1.26 -4.81 105.19 99.44 3e1d n GLY 13 Ca 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.52 3e1d n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3e1d h LYS 14 N 0.00 0.00 0.00 1.61 3.64 -2.03 -1.70 116.57 118.09 3e1d h LYS 14 Ca -0.40 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.92 3e1d h LYS 14 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3e1d h LYS 14 CO 0.27 0.41 -0.29 0.78 -2.27 0.00 0.00 179.45 178.35 3e1d h GLY 15 N 1.73 0.00 0.69 5.01 0.00 -2.02 -3.39 103.07 105.10 3e1d h GLY 15 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3e1d h GLY 15 CO 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.55 3e1d h ALA 16 N 1.71 -0.12 0.00 3.60 0.00 -1.65 -2.27 119.26 120.53 3e1d h ALA 16 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3e1d h ALA 16 Cb 0.97 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3e1d h ALA 16 CO 0.04 -0.41 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 3e1d n SER 17 N -5.00 0.20 0.16 0.00 3.41 -1.21 -0.10 113.62 111.07 3e1d n SER 17 Ca -0.08 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.00 3e1d n SER 17 Cb 0.20 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.48 3e1d n SER 17 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3e1d h ARG 18 N 0.00 -0.45 -0.99 4.33 2.47 -1.71 -3.37 114.38 114.66 3e1d h ARG 18 Ca 0.00 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.88 3e1d h ARG 18 Cb 0.08 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 28.42 3e1d h ARG 18 CO 0.00 -0.17 0.63 -0.09 0.56 0.00 0.00 179.97 180.90 3e1d h ARG 19 N -1.02 0.91 0.00 0.04 2.43 -0.36 0.18 114.38 116.56 3e1d h ARG 19 Ca -0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3e1d h ARG 19 Cb 0.49 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3e1d h ARG 19 CO 0.08 0.61 0.00 1.28 -1.51 0.00 0.00 179.97 180.42 3e1d n LEU 20 N -4.63 0.00 0.05 3.80 4.77 0.86 -1.30 117.00 120.54 3e1d n LEU 20 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3e1d n LEU 20 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3e1d n LEU 20 CO 0.27 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.87 3e1d n ARG 21 N -0.75 0.00 -0.34 3.23 1.74 -0.12 -3.04 116.66 117.37 3e1d n ARG 21 Ca 0.04 0.00 0.22 0.00 -0.77 0.00 0.00 57.85 57.35 3e1d n ARG 21 Cb 0.02 -0.41 0.47 0.00 -1.02 0.00 0.00 32.46 31.53 3e1d n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3e1d h ALA 22 N 0.00 2.08 -0.04 7.54 0.00 -0.88 -0.81 119.26 127.14 3e1d h ALA 22 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3e1d h ALA 22 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3e1d h ALA 22 CO 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 179.25 178.69 3e1d n ALA 23 N -2.39 2.60 -2.58 0.00 0.00 -0.42 -4.85 120.51 112.88 3e1d n ALA 23 Ca 0.28 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 3e1d n ALA 23 Cb 0.90 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.36 3e1d n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3e1d n ASN 24 N 0.09 -3.54 -3.65 0.00 4.13 -0.32 -5.06 115.26 106.90 3e1d n ASN 24 Ca 0.02 -0.12 -0.21 0.00 1.68 0.00 0.00 54.58 55.94 3e1d n ASN 24 Cb 0.35 -2.46 -0.05 0.00 -1.54 0.00 0.00 39.78 36.08 3e1d n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3e1d n LYS 25 N -2.17 0.98 -4.00 3.52 4.01 -1.16 -3.71 118.16 115.63 3e1d n LYS 25 Ca -0.05 -2.56 -0.09 0.00 -0.51 0.00 0.00 58.31 55.10 3e1d n LYS 25 Cb 0.55 0.91 -0.11 0.00 -0.51 0.00 0.00 35.03 35.88 3e1d n LYS 25 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3e1d s PHE 26 N -2.41 0.31 0.17 2.13 2.99 -0.76 -4.10 117.98 116.32 3e1d s PHE 26 Ca 0.05 -0.65 -0.30 0.00 0.00 0.00 0.00 56.93 56.03 3e1d s PHE 26 Cb 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 43.02 42.72 3e1d s PHE 26 CO 0.03 -0.26 1.01 -1.25 -0.00 0.00 0.00 175.22 174.76 3e1d s PRO 27 N -2.18 4.69 0.07 0.24 0.04 -1.18 -2.95 135.00 133.73 3e1d s PRO 27 Ca -0.09 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 3e1d s PRO 27 Cb -0.05 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3e1d s PRO 27 CO -0.04 0.22 0.13 0.00 0.04 0.00 0.00 177.00 177.35 3e1d s ALA 28 N -0.38 -0.04 0.08 8.56 0.00 -0.87 -3.77 121.76 125.34 3e1d s ALA 28 Ca 0.47 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.75 3e1d s ALA 28 Cb -0.26 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3e1d s ALA 28 CO 0.33 -0.44 -0.13 0.96 0.00 0.00 0.00 175.76 176.48 3e1d s ILE 29 N -3.61 1.05 -0.38 0.00 -4.36 -1.23 -1.65 121.20 111.02 3e1d s ILE 29 Ca 0.03 -1.41 0.03 0.00 -0.26 0.00 0.00 60.65 59.05 3e1d s ILE 29 Cb 0.04 -1.15 0.11 0.00 1.25 0.00 0.00 42.46 42.71 3e1d s ILE 29 CO -0.09 -0.33 0.12 -0.63 0.24 0.00 0.00 174.94 174.24 3e1d s ILE 30 N -1.64 2.11 0.12 8.37 -1.09 -0.09 -2.76 121.20 126.22 3e1d s ILE 30 Ca 0.00 -2.46 0.04 0.00 -2.23 0.00 0.00 60.65 56.00 3e1d s ILE 30 Cb -0.08 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 3e1d s ILE 30 CO 0.02 -0.67 -0.10 -0.72 -1.23 0.00 0.00 174.94 172.24 3e1d s TYR 31 N 0.69 1.13 0.00 3.97 -0.85 -1.25 -1.77 117.35 119.27 3e1d s TYR 31 Ca 0.13 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 3e1d s TYR 31 Cb -0.21 -0.60 0.00 0.00 0.38 0.00 0.00 41.96 41.53 3e1d s TYR 31 CO -0.08 0.01 0.00 0.41 -1.52 0.00 0.00 175.55 174.37 3e1d n GLY 32 N 0.10 -0.02 0.00 5.49 0.00 -1.26 -0.18 105.19 109.32 3e1d n GLY 32 Ca -0.13 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3e1d n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1d n GLY 33 N 0.00 0.97 1.51 -0.02 0.00 -1.26 -4.96 105.19 101.43 3e1d n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1d n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e1d n LYS 34 N 0.00 0.00 -1.09 1.61 5.02 -1.26 -5.14 118.16 117.31 3e1d n LYS 34 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3e1d n LYS 34 Cb 0.00 -0.06 0.05 0.00 -0.02 0.00 0.00 35.03 34.99 3e1d n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3e1d n GLU 35 N -2.25 0.02 -2.86 1.97 0.00 -1.26 -5.01 120.64 111.25 3e1d n GLU 35 Ca 0.00 0.02 -0.41 0.00 0.00 0.00 0.00 57.16 56.77 3e1d n GLU 35 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 31.44 30.16 3e1d n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3e1d s ALA 36 N -2.03 3.26 0.11 -1.84 0.00 -1.26 -4.78 121.76 115.22 3e1d s ALA 36 Ca 0.51 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 3e1d s ALA 36 Cb -0.30 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3e1d s ALA 36 CO 0.72 -0.12 1.50 -2.14 0.00 0.00 0.00 175.76 175.73 3e1d s PRO 37 N 0.68 4.26 0.38 0.00 0.02 -1.26 -4.92 135.00 134.17 3e1d s PRO 37 Ca 0.45 2.21 0.08 0.00 0.02 0.00 0.00 61.00 63.76 3e1d s PRO 37 Cb -0.20 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 3e1d s PRO 37 CO 0.24 -0.57 0.22 -0.51 -0.33 0.00 0.00 177.00 176.05 3e1d s LEU 38 N 1.55 3.25 -0.01 -5.54 1.43 -0.73 -4.96 118.68 113.69 3e1d s LEU 38 Ca 0.68 -0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3e1d s LEU 38 Cb -0.39 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 3e1d s LEU 38 CO 0.31 -0.47 0.07 0.00 0.23 0.00 0.00 176.35 176.48 3e1d s ALA 39 N -2.50 -0.15 0.12 4.21 0.00 -1.26 -0.91 121.76 121.26 3e1d s ALA 39 Ca 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3e1d s ALA 39 Cb -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 3e1d s ALA 39 CO 0.24 -0.13 0.03 0.96 0.00 0.00 0.00 175.76 176.86 3e1d s ILE 40 N -0.87 0.19 -0.55 0.00 -4.36 -0.66 -1.49 121.20 113.47 3e1d s ILE 40 Ca -0.10 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 3e1d s ILE 40 Cb -0.06 -1.93 0.17 0.00 1.25 0.00 0.00 42.46 41.90 3e1d s ILE 40 CO 0.00 -0.59 0.42 -0.62 0.24 0.00 0.00 174.94 174.39 3e1d n GLU 41 N -0.06 0.96 -2.96 0.37 1.02 0.52 -2.06 120.64 118.43 3e1d n GLU 41 Ca -0.08 -3.78 -0.22 0.00 -0.02 0.00 0.00 57.16 53.07 3e1d n GLU 41 Cb 0.63 -1.94 0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3e1d n GLU 41 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 3e1d s LEU 42 N -0.69 3.60 -0.74 -4.62 2.34 -1.15 -2.39 118.68 115.03 3e1d s LEU 42 Ca 0.30 0.14 -0.14 0.00 0.06 0.00 0.00 54.13 54.49 3e1d s LEU 42 Cb 0.01 -3.03 -0.20 0.00 -0.56 0.00 0.00 46.19 42.41 3e1d s LEU 42 CO -0.18 -0.78 1.96 -0.67 -1.06 0.00 0.00 176.35 175.62 3e1d n ASP 43 N -2.08 -0.43 -0.31 1.48 2.03 -1.20 -1.83 116.55 114.22 3e1d n ASP 43 Ca 0.03 -1.22 0.09 0.00 0.52 0.00 0.00 54.79 54.20 3e1d n ASP 43 Cb 0.58 -0.98 0.20 0.00 -0.72 0.00 0.00 41.12 40.20 3e1d n ASP 43 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 3e1d h HIS 44 N 11.07 -0.17 0.63 -0.67 -0.00 -1.81 -1.35 115.15 122.86 3e1d h HIS 44 Ca 0.02 0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3e1d h HIS 44 Cb 1.05 0.22 0.01 0.00 -0.00 0.00 0.00 27.41 28.69 3e1d h HIS 44 CO 1.34 -0.36 -0.30 -0.44 -0.00 0.00 0.00 177.93 178.17 3e1d h ASP 45 N 0.04 -0.72 -0.04 3.26 5.19 -1.92 -3.19 116.42 119.05 3e1d h ASP 45 Ca 0.49 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.87 3e1d h ASP 45 Cb 0.90 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 3e1d h ASP 45 CO -0.84 -0.33 -0.09 0.11 -3.12 0.00 0.00 179.24 174.97 3e1d h LYS 46 N -1.21 0.28 0.13 3.56 1.57 -1.70 -0.81 116.57 118.39 3e1d h LYS 46 Ca -0.09 -0.06 -0.29 0.00 -1.87 0.00 0.00 60.65 58.34 3e1d h LYS 46 Cb 0.66 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.96 3e1d h LYS 46 CO 0.14 0.39 -1.24 -0.24 -0.57 0.00 0.00 179.45 177.93 3e1d h VAL 47 N 0.27 1.33 0.00 0.50 3.04 -1.53 -2.31 116.25 117.55 3e1d h VAL 47 Ca 0.06 -2.59 -0.02 0.00 -1.01 0.00 0.00 66.70 63.13 3e1d h VAL 47 Cb 0.33 2.75 -0.00 0.00 -2.01 0.00 0.00 31.29 32.36 3e1d h VAL 47 CO 0.02 0.78 -0.11 -0.03 -1.01 0.00 0.00 177.57 177.22 3e1d h MET 48 N 0.22 0.00 0.04 4.17 1.85 -1.17 -2.92 114.93 117.12 3e1d h MET 48 Ca -0.18 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.91 3e1d h MET 48 Cb 1.92 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.95 3e1d h MET 48 CO 0.23 0.11 -0.02 -0.97 -0.40 0.00 0.00 176.91 175.86 3e1d h ASN 49 N 0.00 -0.05 0.33 1.39 -1.24 -1.15 -3.39 115.58 111.47 3e1d h ASN 49 Ca -0.00 -0.64 0.00 0.00 0.71 0.00 0.00 56.30 56.37 3e1d h ASN 49 Cb 0.23 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3e1d h ASN 49 CO 0.01 0.69 0.00 1.15 -1.29 0.00 0.00 177.43 178.00 3e1d n MET 50 N -4.75 0.65 0.00 6.67 0.00 -0.88 -3.52 117.12 115.28 3e1d n MET 50 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.65 3e1d n MET 50 Cb 0.33 -1.50 0.16 0.00 0.00 0.00 0.00 33.22 32.21 3e1d n MET 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3e1d n GLN 51 N -1.17 0.11 0.11 3.17 -0.00 -1.11 -1.25 117.38 117.25 3e1d n GLN 51 Ca 0.18 0.19 0.12 0.00 -0.00 0.00 0.00 57.00 57.48 3e1d n GLN 51 Cb 0.18 -1.50 0.06 0.00 -0.00 0.00 0.00 30.24 28.98 3e1d n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3e1d h ALA 52 N 2.31 0.59 -2.55 2.61 0.00 -1.86 -3.47 119.26 116.89 3e1d h ALA 52 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3e1d h ALA 52 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3e1d h ALA 52 CO 0.00 0.00 0.41 0.15 0.00 0.00 0.00 179.25 179.81 3e1d s LYS 53 N -3.31 4.62 0.47 0.00 1.02 -0.38 -4.95 119.74 117.21 3e1d s LYS 53 Ca 0.02 1.54 0.19 0.00 0.02 0.00 0.00 55.97 57.74 3e1d s LYS 53 Cb 0.09 -3.37 1.18 0.00 -0.52 0.00 0.00 37.83 35.22 3e1d s LYS 53 CO 0.76 0.08 1.95 0.00 -0.92 0.00 0.00 175.35 177.21 3e1d h ALA 54 N 5.85 2.27 -0.86 5.17 0.00 -1.90 -3.18 119.26 126.61 3e1d h ALA 54 Ca -0.43 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.62 3e1d h ALA 54 Cb 1.21 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3e1d h ALA 54 CO 0.74 -0.46 0.56 0.93 0.00 0.00 0.00 179.25 181.02 3e1d h GLU 55 N 0.26 0.62 0.00 0.00 5.08 -1.92 -2.36 114.58 116.26 3e1d h GLU 55 Ca 0.33 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3e1d h GLU 55 Cb 0.93 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3e1d h GLU 55 CO -0.07 0.41 -0.23 0.35 -1.00 0.00 0.00 179.01 178.47 3e1d h PHE 56 N 0.64 0.00 0.02 4.33 3.57 -1.84 -1.99 116.94 121.66 3e1d h PHE 56 Ca 0.43 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.71 3e1d h PHE 56 Cb 0.73 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 3e1d h PHE 56 CO -0.00 0.23 -0.95 1.88 -2.23 0.00 0.00 178.31 177.23 3e1d h TYR 57 N 0.00 0.44 0.14 0.41 -1.99 -1.64 -2.90 116.97 111.43 3e1d h TYR 57 Ca -0.00 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.47 3e1d h TYR 57 Cb 0.46 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.15 3e1d h TYR 57 CO 0.00 1.09 -0.07 0.77 -0.00 0.00 0.00 178.16 179.95 3e1d h SER 58 N 0.15 -0.16 -2.55 3.88 0.02 -1.05 -3.41 113.55 110.43 3e1d h SER 58 Ca -0.07 -0.27 -0.54 0.00 -0.84 0.00 0.00 61.79 60.07 3e1d h SER 58 Cb 1.60 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.18 3e1d h SER 58 CO 0.15 0.42 1.13 -1.61 -1.14 0.00 0.00 176.83 175.78 3e1d s GLU 59 N -2.68 4.15 -0.95 3.45 0.41 -0.91 -4.98 118.70 117.20 3e1d s GLU 59 Ca -0.09 2.27 -0.25 0.00 -0.41 0.00 0.00 54.97 56.49 3e1d s GLU 59 Cb -0.00 -4.03 -0.10 0.00 -1.78 0.00 0.00 34.13 28.22 3e1d s GLU 59 CO 0.32 -0.89 2.07 0.08 -0.49 0.00 0.00 175.26 176.35 3e1d s VAL 60 N 4.21 3.32 0.96 2.63 1.01 -1.26 -4.38 120.40 126.88 3e1d s VAL 60 Ca 0.77 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 3e1d s VAL 60 Cb -0.35 -3.89 0.19 0.00 0.00 0.00 0.00 36.38 32.34 3e1d s VAL 60 CO 0.32 -0.65 1.30 -1.48 0.00 0.00 0.00 175.10 174.60 3e1d s LEU 61 N 12.12 2.61 -0.60 3.92 0.05 -0.98 -4.81 118.68 130.99 3e1d s LEU 61 Ca 0.76 0.33 -0.15 0.00 0.05 0.00 0.00 54.13 55.12 3e1d s LEU 61 Cb -0.07 -2.39 0.15 0.00 -2.05 0.00 0.00 46.19 41.83 3e1d s LEU 61 CO 0.06 -2.73 0.55 -0.89 -0.55 0.00 0.00 176.35 172.78 3e1d s THR 62 N -3.83 5.22 -0.53 5.48 2.01 -0.16 -4.28 115.64 119.56 3e1d s THR 62 Ca 0.73 -1.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.71 3e1d s THR 62 Cb -0.05 -4.33 0.03 0.00 0.01 0.00 0.00 72.50 68.17 3e1d s THR 62 CO 0.53 -0.90 1.20 -0.63 -0.69 0.00 0.00 174.62 174.13 3e1d s ILE 63 N 1.28 4.07 -0.87 1.82 1.01 -1.26 -2.53 121.20 124.71 3e1d s ILE 63 Ca 0.06 1.02 -0.23 0.00 0.00 0.00 0.00 60.65 61.50 3e1d s ILE 63 Cb -0.26 -4.63 0.07 0.00 0.01 0.00 0.00 42.46 37.65 3e1d s ILE 63 CO 0.00 -1.17 1.26 -0.69 0.00 0.00 0.00 174.94 174.34 3e1d s VAL 64 N 4.87 4.12 0.24 2.92 1.01 -0.90 -4.72 120.40 127.93 3e1d s VAL 64 Ca 0.47 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 3e1d s VAL 64 Cb -0.08 -4.90 -0.01 0.00 0.00 0.00 0.00 36.38 31.39 3e1d s VAL 64 CO 0.28 -1.75 0.45 0.68 0.00 0.00 0.00 175.10 174.77 3e1d s VAL 65 N 4.51 0.00 -1.65 2.92 -7.23 -1.26 -4.14 120.40 113.55 3e1d s VAL 65 Ca 0.36 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3e1d s VAL 65 Cb -0.06 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3e1d s VAL 65 CO -0.01 -0.02 0.00 -0.67 -0.31 0.00 0.00 175.10 174.09 3e1d n ASP 66 N -0.36 -5.32 0.00 4.85 2.03 -1.26 -2.82 116.55 113.67 3e1d n ASP 66 Ca -0.02 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.39 3e1d n ASP 66 Cb 0.62 -4.49 0.00 0.00 -0.72 0.00 0.00 41.12 36.54 3e1d n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3e1d n GLY 67 N -0.87 1.09 3.51 0.27 0.00 -1.26 -4.87 105.19 103.05 3e1d n GLY 67 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 3e1d n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1d s LYS 68 N -0.22 1.85 -0.48 1.61 -2.85 -1.13 -5.16 119.74 113.37 3e1d s LYS 68 Ca 0.00 -1.67 -0.25 0.00 -1.00 0.00 0.00 55.97 53.05 3e1d s LYS 68 Cb 0.00 0.45 0.03 0.00 -2.06 0.00 0.00 37.83 36.25 3e1d s LYS 68 CO 0.00 -0.77 0.91 -2.00 0.10 0.00 0.00 175.35 173.59 3e1d s GLU 69 N -3.20 3.47 0.16 1.78 2.12 -1.26 -4.59 118.70 117.19 3e1d s GLU 69 Ca 0.29 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.57 3e1d s GLU 69 Cb -0.00 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.45 3e1d s GLU 69 CO 0.18 -1.26 1.51 0.82 -0.54 0.00 0.00 175.26 175.97 3e1d h ILE 70 N 6.06 1.27 -5.14 -3.70 1.08 -1.89 -3.49 117.51 111.70 3e1d h ILE 70 Ca -0.25 -1.52 -0.09 0.00 -0.39 0.00 0.00 64.86 62.61 3e1d h ILE 70 Cb 1.08 1.35 0.07 0.00 -3.07 0.00 0.00 36.82 36.25 3e1d h ILE 70 CO 1.03 0.51 -0.30 1.17 -0.69 0.00 0.00 178.15 179.87 3e1d n LYS 71 N -4.06 -1.50 -4.04 2.37 4.81 -1.26 -4.91 118.16 109.57 3e1d n LYS 71 Ca -0.02 1.15 -0.11 0.00 -0.87 0.00 0.00 58.31 58.47 3e1d n LYS 71 Cb 0.52 -5.33 -0.11 0.00 0.02 0.00 0.00 35.03 30.14 3e1d n LYS 71 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3e1d s VAL 72 N -3.13 0.35 0.16 3.15 -7.23 -1.26 -1.69 120.40 110.75 3e1d s VAL 72 Ca 0.16 -1.11 -0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3e1d s VAL 72 Cb -0.02 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 3e1d s VAL 72 CO 0.66 -0.50 0.06 -1.59 -0.31 0.00 0.00 175.10 173.42 3e1d s LYS 73 N -1.83 1.05 -1.19 4.82 -2.85 -1.07 -2.31 119.74 116.36 3e1d s LYS 73 Ca -0.10 -1.52 -0.11 0.00 -1.00 0.00 0.00 55.97 53.24 3e1d s LYS 73 Cb -0.08 0.10 0.21 0.00 -2.06 0.00 0.00 37.83 35.99 3e1d s LYS 73 CO -0.01 -0.26 1.43 0.00 0.10 0.00 0.00 175.35 176.61 3e1d n ALA 74 N -0.19 4.28 0.18 0.59 0.00 -1.10 -2.89 120.51 121.37 3e1d n ALA 74 Ca -0.04 -4.39 0.04 0.00 0.00 0.00 0.00 53.44 49.05 3e1d n ALA 74 Cb 0.64 -2.86 0.31 0.00 0.00 0.00 0.00 19.45 17.54 3e1d n ALA 74 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3e1d h GLN 75 N 6.69 0.00 -4.33 0.00 4.15 -1.22 -3.42 115.11 116.98 3e1d h GLN 75 Ca 0.29 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.47 3e1d h GLN 75 Cb 0.82 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.39 3e1d h GLN 75 CO 1.26 0.43 -0.41 0.34 -1.93 0.00 0.00 178.83 178.52 3e1d s ASP 76 N -6.59 0.44 -0.25 -0.69 2.15 -1.24 -4.92 116.67 105.58 3e1d s ASP 76 Ca -0.01 -1.35 -0.02 0.00 0.43 0.00 0.00 52.55 51.60 3e1d s ASP 76 Cb 0.12 0.50 0.14 0.00 -0.30 0.00 0.00 42.92 43.39 3e1d s ASP 76 CO 0.71 -1.02 0.42 0.54 -0.17 0.00 0.00 175.17 175.65 3e1d s VAL 77 N -3.84 -0.68 0.06 1.11 0.11 -1.26 -2.90 120.40 113.00 3e1d s VAL 77 Ca 0.34 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.32 3e1d s VAL 77 Cb 0.03 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 3e1d s VAL 77 CO 0.15 -0.10 0.23 -1.10 -3.33 0.00 0.00 175.10 170.95 3e1d s GLN 78 N 2.61 3.47 0.09 1.54 -0.21 -0.01 -5.01 119.66 122.13 3e1d s GLN 78 Ca 0.14 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 55.13 3e1d s GLN 78 Cb -0.15 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.80 3e1d s GLN 78 CO -0.17 0.60 0.05 1.03 -2.12 0.00 0.00 175.29 174.68 3e1d s ARG 79 N -2.43 0.78 0.46 2.91 0.52 -1.26 -0.36 118.95 119.57 3e1d s ARG 79 Ca 0.34 -1.26 -0.24 0.00 -0.52 0.00 0.00 55.73 54.05 3e1d s ARG 79 Cb -0.13 0.25 -0.07 0.00 0.52 0.00 0.00 34.95 35.52 3e1d s ARG 79 CO 0.26 -0.20 1.26 -1.01 0.02 0.00 0.00 175.30 175.62 3e1d s HIS 80 N -3.96 2.73 -0.94 -0.53 3.76 -0.01 -4.76 115.29 111.58 3e1d s HIS 80 Ca 0.13 1.46 0.28 0.00 -0.15 0.00 0.00 55.06 56.78 3e1d s HIS 80 Cb 0.07 -3.58 1.07 0.00 1.11 0.00 0.00 32.58 31.25 3e1d s HIS 80 CO -0.05 -2.02 1.84 -0.35 -0.85 0.00 0.00 174.74 173.31 3e1d n PRO 81 N -0.36 0.06 -0.03 8.40 -0.04 -1.26 -3.56 135.00 138.20 3e1d n PRO 81 Ca 0.07 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 3e1d n PRO 81 Cb 0.46 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 3e1d n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3e1d n TYR 82 N -1.67 0.94 -3.87 0.54 4.02 -1.26 -5.05 117.16 110.82 3e1d n TYR 82 Ca 0.06 0.26 -0.09 0.00 -0.01 0.00 0.00 57.90 58.13 3e1d n TYR 82 Cb 0.36 -1.15 -0.08 0.00 -0.02 0.00 0.00 39.34 38.45 3e1d n TYR 82 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3e1d s LYS 83 N -2.57 0.75 0.00 -0.72 2.20 -1.23 -5.06 119.74 113.12 3e1d s LYS 83 Ca -0.14 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 3e1d s LYS 83 Cb 0.07 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3e1d s LYS 83 CO 0.79 -0.22 0.71 -2.30 -0.36 0.00 0.00 175.35 173.96 3e1d n PRO 84 N 0.30 0.00 -1.83 4.03 -0.02 -1.26 -4.27 135.00 131.94 3e1d n PRO 84 Ca -0.17 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 3e1d n PRO 84 Cb 0.61 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 3e1d n PRO 84 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3e1d s LYS 85 N -2.41 4.17 1.02 -0.52 1.02 -1.26 -4.94 119.74 116.82 3e1d s LYS 85 Ca 0.00 2.44 -0.12 0.00 0.02 0.00 0.00 55.97 58.31 3e1d s LYS 85 Cb 0.00 -3.71 0.20 0.00 -0.52 0.00 0.00 37.83 33.80 3e1d s LYS 85 CO 0.00 -0.81 1.09 -0.51 -0.92 0.00 0.00 175.35 174.20 3e1d s LEU 86 N 3.04 1.52 0.00 3.17 1.43 -1.26 -0.83 118.68 125.75 3e1d s LEU 86 Ca 0.78 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3e1d s LEU 86 Cb -0.42 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3e1d s LEU 86 CO 0.35 -3.26 0.00 1.67 0.23 0.00 0.00 176.35 175.33 3e1d n GLN 87 N -4.27 0.00 -3.54 1.70 7.27 0.51 -4.27 117.38 114.78 3e1d n GLN 87 Ca 0.05 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.01 3e1d n GLN 87 Cb 0.57 -0.41 -0.04 0.00 2.41 0.00 0.00 30.24 32.77 3e1d n GLN 87 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3e1d s HIS 88 N -1.81 -0.40 -0.02 3.69 5.04 -1.13 -4.63 115.29 116.03 3e1d s HIS 88 Ca 0.00 0.54 0.04 0.00 -1.54 0.00 0.00 55.06 54.10 3e1d s HIS 88 Cb 0.00 0.48 -0.01 0.00 0.04 0.00 0.00 32.58 33.09 3e1d s HIS 88 CO 0.00 -0.46 -0.14 0.42 -2.34 0.00 0.00 174.74 172.22 3e1d s ILE 89 N -1.90 1.17 -1.18 0.89 1.01 -1.25 -0.83 121.20 119.11 3e1d s ILE 89 Ca -0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 3e1d s ILE 89 Cb -0.01 -0.99 0.15 0.00 0.01 0.00 0.00 42.46 41.62 3e1d s ILE 89 CO -0.01 0.34 1.44 -1.81 0.00 0.00 0.00 174.94 174.89 3e1d s ASP 90 N -0.13 6.96 -1.18 3.58 -0.00 -1.14 -3.49 116.67 121.27 3e1d s ASP 90 Ca 0.01 -2.75 -0.23 0.00 -0.00 0.00 0.00 52.55 49.59 3e1d s ASP 90 Cb -0.08 -2.43 -0.08 0.00 -0.00 0.00 0.00 42.92 40.32 3e1d s ASP 90 CO 0.00 -0.87 1.93 -0.36 -0.00 0.00 0.00 175.17 175.87 3e1d s PHE 91 N 2.22 1.97 0.33 4.23 2.99 -1.11 -0.64 117.98 127.97 3e1d s PHE 91 Ca 0.43 0.42 -0.27 0.00 0.00 0.00 0.00 56.93 57.52 3e1d s PHE 91 Cb -0.02 -4.02 -0.09 0.00 0.00 0.00 0.00 43.02 38.89 3e1d s PHE 91 CO -0.00 -1.22 1.02 0.54 -0.00 0.00 0.00 175.22 175.56 3e1d s VAL 92 N 10.87 3.84 0.53 -0.44 0.11 -1.14 -3.86 120.40 130.30 3e1d s VAL 92 Ca 0.68 1.59 -0.22 0.00 -2.93 0.00 0.00 61.98 61.10 3e1d s VAL 92 Cb -0.01 -3.91 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 3e1d s VAL 92 CO 0.13 0.18 1.35 -0.13 -3.33 0.00 0.00 175.10 173.31 3e1d s ARG 93 N -1.97 3.25 0.00 1.54 1.81 0.75 -2.61 118.95 121.72 3e1d s ARG 93 Ca 0.51 2.23 0.00 0.00 -1.72 0.00 0.00 55.73 56.74 3e1d s ARG 93 Cb -0.24 -2.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 3e1d s ARG 93 CO 0.30 -1.10 0.23 0.00 -0.68 0.00 0.00 175.30 174.05