#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoy s ARG 2 N 0.00 0.89 -0.22 0.03 1.81 -1.26 -5.01 118.95 115.19 1aoy s ARG 2 Ca 0.00 -2.05 -0.01 0.00 -1.72 0.00 0.00 55.73 51.95 1aoy s ARG 2 Cb 0.00 -1.43 0.00 0.00 -0.45 0.00 0.00 34.95 33.07 1aoy s ARG 2 CO 0.00 -1.37 0.05 0.43 -0.68 0.00 0.00 175.30 173.73 1aoy n SER 3 N 2.95 -6.14 -3.42 0.23 7.64 -1.26 -4.85 113.62 108.78 1aoy n SER 3 Ca 0.28 0.92 -0.38 0.00 1.01 0.00 0.00 58.87 60.70 1aoy n SER 3 Cb 0.47 -3.99 -0.02 0.00 -1.01 0.00 0.00 64.21 59.66 1aoy n SER 3 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1aoy n SER 4 N 0.39 6.94 -2.82 6.43 7.64 -1.26 -4.27 113.62 126.67 1aoy n SER 4 Ca 0.01 -2.62 -0.11 0.00 1.01 0.00 0.00 58.87 57.16 1aoy n SER 4 Cb 0.04 -1.53 0.07 0.00 -1.01 0.00 0.00 64.21 61.77 1aoy n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aoy n ALA 5 N 4.43 -0.03 -2.09 -0.43 0.00 -1.26 -5.14 120.51 115.99 1aoy n ALA 5 Ca 0.68 -1.88 -0.31 0.00 0.00 0.00 0.00 53.44 51.93 1aoy n ALA 5 Cb 0.27 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1aoy n ALA 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1aoy s LYS 6 N -0.35 3.86 0.00 0.00 -0.14 -1.26 -4.97 119.74 116.88 1aoy s LYS 6 Ca 0.26 0.62 0.27 0.00 -1.36 0.00 0.00 55.97 55.76 1aoy s LYS 6 Cb 0.31 -2.34 1.26 0.00 -1.68 0.00 0.00 37.83 35.38 1aoy s LYS 6 CO -0.06 -0.06 1.89 0.94 -0.76 0.00 0.00 175.35 177.31 1aoy n GLN 7 N -1.20 0.19 0.00 1.68 -0.06 -1.26 -2.78 117.38 113.95 1aoy n GLN 7 Ca 0.04 0.04 0.07 0.00 -2.00 0.00 0.00 57.00 55.14 1aoy n GLN 7 Cb 0.54 -1.50 0.41 0.00 -4.06 0.00 0.00 30.24 25.63 1aoy n GLN 7 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1aoy n GLU 8 N -1.39 0.35 0.04 3.69 -0.58 -1.26 -1.82 120.64 119.67 1aoy n GLU 8 Ca 0.10 0.07 -0.19 0.00 -0.42 0.00 0.00 57.16 56.71 1aoy n GLU 8 Cb 0.26 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.49 1aoy n GLU 8 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1aoy h GLU 9 N 0.00 0.27 -0.38 3.49 5.08 -1.94 -2.20 114.58 118.90 1aoy h GLU 9 Ca 0.00 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1aoy h GLU 9 Cb 0.06 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1aoy h GLU 9 CO 0.00 1.14 -0.12 1.25 -1.00 0.00 0.00 179.01 180.28 1aoy h LEU 10 N 0.07 0.65 0.46 1.33 5.85 -1.57 0.82 115.31 122.91 1aoy h LEU 10 Ca -0.34 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1aoy h LEU 10 Cb 2.05 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1aoy h LEU 10 CO 0.13 0.79 -0.22 0.58 -0.34 0.00 0.00 178.44 179.38 1aoy h VAL 11 N 0.60 0.26 -0.92 1.05 2.07 -1.61 -0.85 116.25 116.85 1aoy h VAL 11 Ca 0.11 -0.56 0.16 0.00 0.82 0.00 0.00 66.70 67.23 1aoy h VAL 11 Cb 0.55 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1aoy h VAL 11 CO 0.03 0.05 0.59 0.50 0.02 0.00 0.00 177.57 178.77 1aoy h LYS 12 N -1.06 0.65 -0.27 1.57 3.11 -1.36 0.83 116.57 120.05 1aoy h LYS 12 Ca -0.06 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.69 1aoy h LYS 12 Cb 0.56 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1aoy h LYS 12 CO 0.10 0.43 -0.01 0.00 -2.81 0.00 0.00 179.45 177.16 1aoy h ALA 13 N 1.60 0.36 -0.08 5.00 0.00 -0.85 -2.52 119.26 122.77 1aoy h ALA 13 Ca 0.48 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1aoy h ALA 13 Cb 0.82 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1aoy h ALA 13 CO -0.23 0.11 -0.27 0.35 0.00 0.00 0.00 179.25 179.21 1aoy h PHE 14 N 0.26 -0.72 -0.42 0.00 3.57 0.62 -0.06 116.94 120.18 1aoy h PHE 14 Ca 0.07 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1aoy h PHE 14 Cb 0.44 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1aoy h PHE 14 CO 0.04 -0.35 0.12 0.87 -2.23 0.00 0.00 178.31 176.76 1aoy h LYS 15 N -0.36 0.26 -0.11 1.11 1.79 -1.23 -2.55 116.57 115.48 1aoy h LYS 15 Ca 0.09 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1aoy h LYS 15 Cb 0.49 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1aoy h LYS 15 CO -0.29 0.17 0.06 0.00 -1.08 0.00 0.00 179.45 178.32 1aoy h ALA 16 N 1.30 0.14 -0.71 3.86 0.00 -0.99 -0.92 119.26 121.93 1aoy h ALA 16 Ca 0.20 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1aoy h ALA 16 Cb 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1aoy h ALA 16 CO -0.24 -0.34 0.31 -0.07 0.00 0.00 0.00 179.25 178.92 1aoy h LEU 17 N 0.10 0.35 0.06 0.00 3.38 -0.77 -1.00 115.31 117.43 1aoy h LEU 17 Ca 0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1aoy h LEU 17 Cb 0.05 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1aoy h LEU 17 CO -0.01 0.18 -0.03 -0.07 0.09 0.00 0.00 178.44 178.60 1aoy h LEU 18 N 0.51 -0.07 -2.54 1.67 3.38 -1.33 -3.21 115.31 113.73 1aoy h LEU 18 Ca 0.37 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1aoy h LEU 18 Cb 0.47 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1aoy h LEU 18 CO -0.33 0.40 0.00 0.11 0.09 0.00 0.00 178.44 178.72 1aoy h LYS 19 N -0.57 0.00 0.00 1.13 1.57 -0.81 -0.50 116.57 117.40 1aoy h LYS 19 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1aoy h LYS 19 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1aoy h LYS 19 CO 0.01 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.82 1aoy h GLU 20 N 0.00 0.00 -5.12 3.15 5.08 -1.19 -3.47 114.58 113.04 1aoy h GLU 20 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aoy h GLU 20 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1aoy h GLU 20 CO 0.00 0.00 -0.12 0.39 -1.00 0.00 0.00 179.01 178.28 1aoy n GLU 21 N -3.08 -1.45 0.05 2.33 1.02 -0.19 -4.98 120.64 114.33 1aoy n GLU 21 Ca 0.01 1.55 0.00 0.00 -0.02 0.00 0.00 57.16 58.70 1aoy n GLU 21 Cb 0.33 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 1aoy n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1aoy n LYS 22 N -1.33 0.00 -3.20 3.49 4.81 -1.26 -4.77 118.16 115.90 1aoy n LYS 22 Ca 0.03 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.08 1aoy n LYS 22 Cb 0.48 -0.06 -0.05 0.00 0.02 0.00 0.00 35.03 35.42 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1aoy s PHE 23 N -2.00 3.62 -0.17 5.64 0.08 -1.26 -4.93 117.98 118.97 1aoy s PHE 23 Ca 0.00 1.13 0.19 0.00 0.12 0.00 0.00 56.93 58.37 1aoy s PHE 23 Cb 0.00 -2.63 -0.27 0.00 -0.57 0.00 0.00 43.02 39.55 1aoy s PHE 23 CO 0.00 0.25 0.15 0.45 -0.10 0.00 0.00 175.22 175.97 1aoy n SER 24 N 3.17 0.02 -4.44 1.36 2.88 -1.26 0.55 113.62 115.89 1aoy n SER 24 Ca -0.06 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.26 1aoy n SER 24 Cb 0.51 1.19 -0.10 0.00 -0.75 0.00 0.00 64.21 65.06 1aoy n SER 24 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1aoy s SER 25 N -5.29 3.16 0.06 -3.46 1.04 -1.26 -4.38 113.70 103.56 1aoy s SER 25 Ca -0.10 -1.11 -0.28 0.00 0.48 0.00 0.00 55.95 54.95 1aoy s SER 25 Cb 0.08 -0.24 -0.17 0.00 0.10 0.00 0.00 66.02 65.79 1aoy s SER 25 CO 0.84 -0.16 1.58 1.56 0.98 0.00 0.00 173.24 178.04 1aoy h GLN 26 N 2.29 -0.46 -1.10 4.02 7.50 -1.96 -3.12 115.11 122.28 1aoy h GLN 26 Ca -0.40 0.03 0.30 0.00 0.50 0.00 0.00 58.65 59.09 1aoy h GLN 26 Cb 1.24 0.10 -0.09 0.00 0.05 0.00 0.00 27.48 28.79 1aoy h GLN 26 CO 0.65 -0.26 0.73 0.78 -1.50 0.00 0.00 178.83 179.23 1aoy h GLY 27 N -0.56 1.00 0.92 3.46 0.00 -1.97 0.28 103.07 106.19 1aoy h GLY 27 Ca -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1aoy h GLY 27 CO 0.08 -0.15 0.06 0.83 0.00 0.00 0.00 176.54 177.36 1aoy h GLU 28 N 0.28 0.59 0.00 4.80 5.08 -1.97 -2.54 114.58 120.81 1aoy h GLU 28 Ca 0.62 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.78 1aoy h GLU 28 Cb 1.79 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1aoy h GLU 28 CO -0.26 0.66 -0.18 0.97 -1.00 0.00 0.00 179.01 179.20 1aoy h ILE 29 N 0.43 0.34 -0.04 3.13 2.10 -1.07 -2.17 117.51 120.24 1aoy h ILE 29 Ca 0.11 -1.25 -0.00 0.00 1.08 0.00 0.00 64.86 64.80 1aoy h ILE 29 Cb 0.35 1.97 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 1aoy h ILE 29 CO 0.01 0.17 0.02 0.58 -1.08 0.00 0.00 178.15 177.85 1aoy h VAL 30 N 0.00 1.07 -0.38 2.19 2.07 -0.84 -2.36 116.25 118.00 1aoy h VAL 30 Ca -0.00 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 1aoy h VAL 30 Cb 0.96 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1aoy h VAL 30 CO 0.02 0.06 -0.10 0.00 0.02 0.00 0.00 177.57 177.57 1aoy h ALA 31 N 0.93 0.52 -0.60 1.67 0.00 -1.42 -3.08 119.26 117.28 1aoy h ALA 31 Ca 0.01 -0.32 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1aoy h ALA 31 Cb 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1aoy h ALA 31 CO -0.00 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.80 1aoy h ALA 32 N 0.83 0.74 0.00 0.00 0.00 -1.26 -0.32 119.26 119.25 1aoy h ALA 32 Ca 0.10 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1aoy h ALA 32 Cb 0.62 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1aoy h ALA 32 CO 0.04 -0.27 -0.40 -0.07 0.00 0.00 0.00 179.25 178.55 1aoy h LEU 33 N 0.30 0.00 -1.09 0.00 3.38 -1.45 -1.56 115.31 114.89 1aoy h LEU 33 Ca 0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 1aoy h LEU 33 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1aoy h LEU 33 CO -0.37 0.40 -0.40 1.56 0.09 0.00 0.00 178.44 179.72 1aoy h GLN 34 N 0.00 0.00 0.01 1.13 4.20 -1.00 -2.14 115.11 117.32 1aoy h GLN 34 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1aoy h GLN 34 Cb 0.79 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1aoy h GLN 34 CO 0.05 0.40 -0.99 0.93 -0.67 0.00 0.00 178.83 178.55 1aoy h GLU 35 N 0.00 0.03 0.55 1.46 5.08 -0.82 -3.37 114.58 117.51 1aoy h GLU 35 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1aoy h GLU 35 Cb 0.81 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.09 1aoy h GLU 35 CO 0.05 0.99 -0.27 1.96 -1.00 0.00 0.00 179.01 180.75 1aoy h GLN 36 N 0.01 -0.72 0.00 2.33 4.20 -0.83 -3.47 115.11 116.63 1aoy h GLN 36 Ca -0.02 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1aoy h GLN 36 Cb 1.73 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.68 1aoy h GLN 36 CO 0.13 -0.48 0.00 0.41 -0.67 0.00 0.00 178.83 178.22 1aoy n GLY 37 N -0.59 0.00 3.32 3.46 0.00 -0.87 -5.11 105.19 105.41 1aoy n GLY 37 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1aoy n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aoy s PHE 38 N 0.00 2.41 -0.05 1.61 0.08 -0.86 -5.05 117.98 116.12 1aoy s PHE 38 Ca 0.00 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1aoy s PHE 38 Cb 0.00 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.93 1aoy s PHE 38 CO 0.00 -0.05 -0.05 0.34 -0.10 0.00 0.00 175.22 175.36 1aoy s ASP 39 N -0.51 1.09 0.00 1.36 2.15 -1.26 -4.16 116.67 115.34 1aoy s ASP 39 Ca 0.07 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.90 1aoy s ASP 39 Cb -0.11 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1aoy s ASP 39 CO 0.00 -0.05 0.00 -3.20 -0.17 0.00 0.00 175.17 171.76 1aoy n ASN 40 N 4.06 -0.51 -4.50 -0.34 4.05 -1.26 -5.13 115.26 111.62 1aoy n ASN 40 Ca -0.24 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 54.55 1aoy n ASN 40 Cb 0.51 -0.13 -0.10 0.00 1.23 0.00 0.00 39.78 41.29 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1aoy s ILE 41 N -1.56 2.49 0.28 -1.44 1.10 -1.26 -5.13 121.20 115.68 1aoy s ILE 41 Ca 0.00 -2.31 -0.10 0.00 -0.51 0.00 0.00 60.65 57.73 1aoy s ILE 41 Cb 0.00 -2.43 -0.00 0.00 0.15 0.00 0.00 42.46 40.17 1aoy s ILE 41 CO 0.00 -0.34 0.48 0.54 -2.11 0.00 0.00 174.94 173.51 1aoy s ASN 42 N -3.55 0.19 0.42 4.50 2.20 -1.26 -5.05 114.94 112.39 1aoy s ASN 42 Ca 0.31 -1.12 0.09 0.00 -0.94 0.00 0.00 52.86 51.20 1aoy s ASN 42 Cb -0.03 0.62 0.89 0.00 -2.00 0.00 0.00 41.25 40.73 1aoy s ASN 42 CO 0.16 -1.21 2.02 -0.61 -2.94 0.00 0.00 177.10 174.52 1aoy h GLN 43 N 2.22 0.36 -0.59 3.55 4.15 -1.97 -2.15 115.11 120.67 1aoy h GLN 43 Ca -0.28 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.03 1aoy h GLN 43 Cb 1.25 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 1aoy h GLN 43 CO 0.38 0.31 0.08 0.77 -1.93 0.00 0.00 178.83 178.44 1aoy h SER 44 N 0.36 0.92 -0.29 -0.69 0.02 -1.98 0.12 113.55 112.01 1aoy h SER 44 Ca 0.09 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 1aoy h SER 44 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1aoy h SER 44 CO -0.01 0.94 -0.24 0.50 -1.14 0.00 0.00 176.83 176.88 1aoy h LYS 45 N 0.91 0.78 -0.20 3.45 1.63 -1.82 -1.23 116.57 120.09 1aoy h LYS 45 Ca 0.18 -0.32 -0.18 0.00 -0.85 0.00 0.00 60.65 59.48 1aoy h LYS 45 Cb 0.42 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1aoy h LYS 45 CO 0.01 0.94 -0.57 0.28 -3.45 0.00 0.00 179.45 176.66 1aoy h VAL 46 N 0.68 1.30 -0.24 2.00 2.07 -1.10 -0.77 116.25 120.19 1aoy h VAL 46 Ca 0.09 -1.79 -0.11 0.00 0.82 0.00 0.00 66.70 65.71 1aoy h VAL 46 Cb 0.76 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1aoy h VAL 46 CO 0.06 0.57 -0.33 0.77 0.02 0.00 0.00 177.57 178.66 1aoy h SER 47 N 0.46 0.51 -0.27 0.57 4.64 -0.75 -0.37 113.55 118.35 1aoy h SER 47 Ca -0.01 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 1aoy h SER 47 Cb 1.19 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1aoy h SER 47 CO 0.12 0.81 -0.12 0.03 -0.87 0.00 0.00 176.83 176.80 1aoy h ARG 48 N 0.42 0.56 -0.55 4.77 2.47 -1.19 -2.49 114.38 118.37 1aoy h ARG 48 Ca 0.05 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.48 1aoy h ARG 48 Cb 0.78 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.06 1aoy h ARG 48 CO 0.06 0.80 0.13 0.52 0.56 0.00 0.00 179.97 182.04 1aoy h MET 49 N 0.29 0.85 -0.35 0.04 2.86 -0.98 0.16 114.93 117.81 1aoy h MET 49 Ca 0.06 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1aoy h MET 49 Cb 0.63 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1aoy h MET 49 CO 0.04 0.77 0.19 -0.07 1.06 0.00 0.00 176.91 178.90 1aoy h LEU 50 N 0.82 0.44 -0.18 1.22 3.38 -0.97 0.15 115.31 120.16 1aoy h LEU 50 Ca 0.18 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1aoy h LEU 50 Cb 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1aoy h LEU 50 CO -0.00 0.40 -0.17 0.74 0.09 0.00 0.00 178.44 179.50 1aoy h THR 51 N 0.44 1.33 0.30 0.22 2.02 -1.20 0.11 112.91 116.13 1aoy h THR 51 Ca 0.12 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 1aoy h THR 51 Cb 0.06 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1aoy h THR 51 CO -0.02 0.40 -0.21 0.50 0.37 0.00 0.00 175.52 176.56 1aoy h LYS 52 N 0.09 -0.48 0.00 6.66 3.11 -0.57 -2.26 116.57 123.12 1aoy h LYS 52 Ca 0.03 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1aoy h LYS 52 Cb 0.71 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 1aoy h LYS 52 CO 0.04 -0.32 0.00 1.19 -2.81 0.00 0.00 179.45 177.55 1aoy n PHE 53 N -5.33 0.00 -3.09 1.91 3.72 0.50 -4.90 117.46 110.26 1aoy n PHE 53 Ca -0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.17 1aoy n PHE 53 Cb 0.24 -0.03 0.07 0.00 -0.94 0.00 0.00 39.48 38.82 1aoy n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aoy n GLY 54 N 0.46 -0.35 3.80 1.37 0.00 -0.85 -4.85 105.19 104.77 1aoy n GLY 54 Ca 0.17 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1aoy n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoy s ALA 55 N -3.30 2.84 0.36 4.61 0.00 0.36 -4.52 121.76 122.12 1aoy s ALA 55 Ca 0.10 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.67 1aoy s ALA 55 Cb -0.01 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1aoy s ALA 55 CO 0.59 -0.42 0.05 0.54 0.00 0.00 0.00 175.76 176.52 1aoy s VAL 56 N -2.07 1.40 -0.18 0.00 0.11 0.37 -4.93 120.40 115.09 1aoy s VAL 56 Ca 0.67 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.71 1aoy s VAL 56 Cb -0.16 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 1aoy s VAL 56 CO 0.23 0.00 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.74 1aoy s ARG 57 N -3.83 3.19 0.08 1.54 0.52 -1.26 0.27 118.95 119.45 1aoy s ARG 57 Ca 0.35 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1aoy s ARG 57 Cb 0.09 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1aoy s ARG 57 CO 0.16 -0.11 -0.06 0.99 0.02 0.00 0.00 175.30 176.29 1aoy s THR 58 N 1.14 0.60 -0.02 0.02 2.01 0.45 -4.89 115.64 114.96 1aoy s THR 58 Ca 0.01 -1.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.01 1aoy s THR 58 Cb -0.14 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1aoy s THR 58 CO -0.05 -0.76 1.04 -0.13 -0.69 0.00 0.00 174.62 174.03 1aoy s ARG 59 N -3.25 4.49 0.11 4.92 0.52 -1.26 -0.56 118.95 123.92 1aoy s ARG 59 Ca 0.06 1.49 -0.01 0.00 -0.52 0.00 0.00 55.73 56.75 1aoy s ARG 59 Cb 0.02 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 32.04 1aoy s ARG 59 CO -0.04 -0.17 0.15 0.27 0.02 0.00 0.00 175.30 175.52 1aoy n ASN 60 N 4.25 0.08 0.31 0.23 0.23 -0.40 -4.85 115.26 115.10 1aoy n ASN 60 Ca 0.07 -1.09 0.18 0.00 -0.53 0.00 0.00 54.58 53.21 1aoy n ASN 60 Cb 0.49 -0.11 0.98 0.00 -2.08 0.00 0.00 39.78 39.07 1aoy n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aoy h ALA 61 N -1.33 1.24 -0.82 -2.53 0.00 -1.89 -1.44 119.26 112.49 1aoy h ALA 61 Ca -0.05 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.51 1aoy h ALA 61 Cb 0.15 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.74 1aoy h ALA 61 CO 0.04 0.03 0.42 1.63 0.00 0.00 0.00 179.25 181.37 1aoy n LYS 62 N -3.46 3.02 -4.04 0.00 4.76 -1.26 -4.92 118.16 112.25 1aoy n LYS 62 Ca -0.03 -2.90 -0.33 0.00 -2.87 0.00 0.00 58.31 52.18 1aoy n LYS 62 Cb 0.12 -2.16 -0.03 0.00 -1.84 0.00 0.00 35.03 31.13 1aoy n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aoy n MET 63 N -0.52 -2.94 -5.13 1.97 0.00 -0.54 -4.96 117.12 105.00 1aoy n MET 63 Ca 0.47 0.35 -0.32 0.00 0.00 0.00 0.00 57.70 58.20 1aoy n MET 63 Cb 1.47 -5.06 -0.16 0.00 0.00 0.00 0.00 33.22 29.47 1aoy n MET 63 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1aoy s GLU 64 N -6.73 2.83 -0.12 3.17 2.02 -1.26 -4.85 118.70 113.77 1aoy s GLU 64 Ca 0.67 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 54.53 1aoy s GLU 64 Cb -0.37 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 1aoy s GLU 64 CO 0.82 0.32 1.56 -1.64 0.02 0.00 0.00 175.26 176.35 1aoy s MET 65 N 0.01 4.10 0.23 1.61 -1.94 -1.26 -1.27 119.30 120.78 1aoy s MET 65 Ca -0.08 1.95 0.01 0.00 -1.71 0.00 0.00 55.69 55.86 1aoy s MET 65 Cb -0.15 -3.95 -0.05 0.00 2.01 0.00 0.00 34.83 32.69 1aoy s MET 65 CO 0.05 -0.93 0.09 0.14 -0.01 0.00 0.00 175.02 174.36 1aoy s VAL 66 N 4.21 0.46 0.08 -6.03 -7.23 0.28 -4.70 120.40 107.47 1aoy s VAL 66 Ca 0.69 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 58.56 1aoy s VAL 66 Cb -0.29 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 1aoy s VAL 66 CO 0.26 -0.09 1.23 -0.31 -0.31 0.00 0.00 175.10 175.89 1aoy s TYR 67 N -3.83 3.40 0.18 2.82 2.02 0.19 -0.41 117.35 121.73 1aoy s TYR 67 Ca 0.36 1.25 -0.01 0.00 -0.37 0.00 0.00 57.07 58.30 1aoy s TYR 67 Cb 0.07 -3.47 -0.04 0.00 -0.40 0.00 0.00 41.96 38.13 1aoy s TYR 67 CO 0.12 -1.46 0.10 0.00 -1.57 0.00 0.00 175.55 172.73 1aoy s LEU 69 N -3.13 2.50 0.00 0.00 2.96 -1.26 -0.48 118.68 119.26 1aoy s LEU 69 Ca 0.34 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1aoy s LEU 69 Cb 0.07 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.28 1aoy s LEU 69 CO 0.08 0.33 0.00 -2.65 -1.32 0.00 0.00 176.35 172.80 1aoy n PRO 70 N 2.31 2.58 -1.79 0.98 -0.02 -1.26 -4.86 135.00 132.93 1aoy n PRO 70 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.89 1aoy n PRO 70 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.97 1aoy n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aoy s ALA 71 N -3.05 3.82 -0.09 3.55 0.00 -1.26 -4.83 121.76 119.89 1aoy s ALA 71 Ca 0.00 1.45 -0.41 0.00 0.00 0.00 0.00 51.96 53.00 1aoy s ALA 71 Cb 0.00 -3.71 -0.20 0.00 0.00 0.00 0.00 23.12 19.22 1aoy s ALA 71 CO 0.00 -1.03 1.16 -1.91 0.00 0.00 0.00 175.76 173.98 1aoy n GLU 72 N 4.79 0.00 -3.68 0.00 4.07 -1.26 -4.93 120.64 119.63 1aoy n GLU 72 Ca 0.16 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.90 1aoy n GLU 72 Cb 0.38 -1.49 -0.08 0.00 -0.06 0.00 0.00 31.44 30.18 1aoy n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1aoy s LEU 73 N 0.54 5.38 0.00 4.31 1.43 -1.26 -4.98 118.68 124.10 1aoy s LEU 73 Ca 0.93 -3.22 0.00 0.00 -1.03 0.00 0.00 54.13 50.81 1aoy s LEU 73 Cb -1.30 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1aoy s LEU 73 CO 0.61 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1aoy n GLY 74 N 3.00 -2.21 3.91 -3.19 0.00 -1.26 -5.03 105.19 100.41 1aoy n GLY 74 Ca 0.14 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1aoy n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aoy s VAL 75 N -0.78 2.48 -0.30 1.61 -7.23 -1.26 -5.00 120.40 109.93 1aoy s VAL 75 Ca 0.00 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1aoy s VAL 75 Cb 0.00 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1aoy s VAL 75 CO 0.00 0.00 0.48 -2.65 -0.31 0.00 0.00 175.10 172.62 1aoy n PRO 76 N -1.68 0.57 -3.78 4.82 -0.02 -1.26 -4.73 135.00 128.93 1aoy n PRO 76 Ca 0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.49 1aoy n PRO 76 Cb 0.62 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.86 1aoy n PRO 76 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1aoy s THR 77 N 0.01 0.00 -1.29 3.45 -1.32 -1.26 -5.09 115.64 110.14 1aoy s THR 77 Ca 0.00 -0.66 0.10 0.00 -1.21 0.00 0.00 61.69 59.93 1aoy s THR 77 Cb 0.00 -2.16 0.08 0.00 -1.51 0.00 0.00 72.50 68.91 1aoy s THR 77 CO 0.00 0.00 0.83 0.35 -2.21 0.00 0.00 174.62 173.59