#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoy n ARG 2 N 0.00 -2.52 -2.55 0.03 5.12 -1.26 -4.88 116.66 110.61 1aoy n ARG 2 Ca 0.00 2.10 -0.42 0.00 -1.93 0.00 0.00 57.85 57.60 1aoy n ARG 2 Cb 0.00 -2.81 -0.03 0.00 -1.16 0.00 0.00 32.46 28.45 1aoy n ARG 2 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1aoy s SER 3 N -0.32 7.24 -0.51 0.55 0.01 -1.26 -3.56 113.70 115.86 1aoy s SER 3 Ca -0.06 1.91 -0.01 0.00 1.31 0.00 0.00 55.95 59.10 1aoy s SER 3 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1aoy s SER 3 CO 0.16 -0.32 0.43 -1.20 0.41 0.00 0.00 173.24 172.73 1aoy n SER 4 N 3.47 -2.62 0.00 2.44 7.64 -1.26 -4.93 113.62 118.35 1aoy n SER 4 Ca 0.06 -0.24 0.05 0.00 1.01 0.00 0.00 58.87 59.75 1aoy n SER 4 Cb 0.48 -2.37 0.31 0.00 -1.01 0.00 0.00 64.21 61.62 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 -2.70 2.43 -1.42 -0.43 0.00 -1.23 -4.98 120.51 112.18 1aoy n ALA 5 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1aoy n ALA 5 Cb 0.55 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1aoy n ALA 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aoy n LYS 6 N -0.69 -4.07 -1.02 0.00 4.76 -1.26 -4.80 118.16 111.09 1aoy n LYS 6 Ca 0.08 3.04 -0.01 0.00 -2.87 0.00 0.00 58.31 58.55 1aoy n LYS 6 Cb 0.04 -3.44 -0.00 0.00 -1.84 0.00 0.00 35.03 29.78 1aoy n LYS 6 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1aoy n GLN 7 N -0.99 -0.93 0.00 1.97 -0.06 -1.26 -4.86 117.38 111.26 1aoy n GLN 7 Ca 0.00 0.27 0.14 0.00 -2.00 0.00 0.00 57.00 55.42 1aoy n GLN 7 Cb 0.02 -3.99 0.67 0.00 -4.06 0.00 0.00 30.24 22.88 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 -1.21 0.29 0.07 3.69 1.02 -1.26 -3.45 120.64 119.79 1aoy n GLU 8 Ca -0.01 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.96 1aoy n GLU 8 Cb 0.24 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.02 1aoy n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1aoy h GLU 9 N 0.06 0.21 0.00 3.49 3.07 -2.00 -2.95 114.58 116.46 1aoy h GLU 9 Ca 0.00 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.36 58.48 1aoy h GLU 9 Cb 0.38 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1aoy h GLU 9 CO 0.00 1.10 -0.05 1.25 -1.40 0.00 0.00 179.01 179.91 1aoy h LEU 10 N 0.06 0.00 0.44 1.33 5.85 -1.98 -0.04 115.31 120.97 1aoy h LEU 10 Ca -0.19 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1aoy h LEU 10 Cb 1.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.01 1aoy h LEU 10 CO 0.17 0.05 -0.21 0.58 -0.34 0.00 0.00 178.44 178.68 1aoy h VAL 11 N 0.00 0.10 -0.87 1.05 2.07 -1.68 -0.26 116.25 116.67 1aoy h VAL 11 Ca -0.00 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.06 1aoy h VAL 11 Cb 0.09 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 1aoy h VAL 11 CO 0.01 0.02 0.48 0.11 0.02 0.00 0.00 177.57 178.21 1aoy h LYS 12 N -1.12 0.70 -0.37 1.57 6.56 -1.33 -0.59 116.57 121.99 1aoy h LYS 12 Ca -0.06 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1aoy h LYS 12 Cb 0.49 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1aoy h LYS 12 CO 0.10 0.46 0.17 0.00 -2.06 0.00 0.00 179.45 178.12 1aoy h ALA 13 N 1.53 0.48 0.26 3.86 0.00 -1.07 -2.18 119.26 122.15 1aoy h ALA 13 Ca 0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1aoy h ALA 13 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1aoy h ALA 13 CO -0.32 0.04 -0.23 0.35 0.00 0.00 0.00 179.25 179.09 1aoy h PHE 14 N 0.46 -0.62 -0.74 0.00 3.57 0.44 -1.20 116.94 118.85 1aoy h PHE 14 Ca 0.13 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1aoy h PHE 14 Cb 0.13 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 1aoy h PHE 14 CO -0.01 -0.35 0.41 0.87 -2.23 0.00 0.00 178.31 176.99 1aoy h LYS 15 N -0.52 0.69 0.12 1.11 1.79 -1.22 -2.65 116.57 115.89 1aoy h LYS 15 Ca -0.01 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1aoy h LYS 15 Cb 0.47 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1aoy h LYS 15 CO -0.03 0.45 -0.06 0.00 -1.08 0.00 0.00 179.45 178.73 1aoy h ALA 16 N 1.41 -0.16 -0.83 3.86 0.00 -1.13 -1.21 119.26 121.20 1aoy h ALA 16 Ca 0.35 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.30 1aoy h ALA 16 Cb 0.29 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1aoy h ALA 16 CO -0.23 -0.53 0.44 -0.07 0.00 0.00 0.00 179.25 178.86 1aoy h LEU 17 N -0.28 0.57 0.10 0.00 3.38 -0.98 -1.72 115.31 116.38 1aoy h LEU 17 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1aoy h LEU 17 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1aoy h LEU 17 CO 0.03 0.28 -0.05 -0.07 0.09 0.00 0.00 178.44 178.72 1aoy h LEU 18 N 0.68 -0.11 -2.45 1.67 3.38 -1.39 -3.28 115.31 113.80 1aoy h LEU 18 Ca 0.43 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1aoy h LEU 18 Cb 0.52 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1aoy h LEU 18 CO -0.31 0.34 -0.01 0.11 0.09 0.00 0.00 178.44 178.66 1aoy h LYS 19 N -0.60 0.00 0.00 1.13 1.57 -0.89 -0.70 116.57 117.08 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 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1aoy h LYS 19 CO 0.02 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 1aoy n GLU 20 N -3.79 0.22 -2.74 3.15 -0.58 -0.68 -4.87 120.64 111.36 1aoy n GLU 20 Ca -0.03 0.33 -0.07 0.00 -0.42 0.00 0.00 57.16 56.97 1aoy n GLU 20 Cb 0.09 -1.84 0.01 0.00 -0.57 0.00 0.00 31.44 29.13 1aoy n GLU 20 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1aoy n GLU 21 N -2.24 -2.26 0.00 3.49 1.02 -0.27 -5.01 120.64 115.37 1aoy n GLU 21 Ca 0.04 2.04 0.00 0.00 -0.02 0.00 0.00 57.16 59.21 1aoy n GLU 21 Cb 0.32 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 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 -0.27 0.00 -2.92 3.49 4.81 -1.26 -5.00 118.16 117.02 1aoy n LYS 22 Ca 0.11 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.15 1aoy n LYS 22 Cb 0.40 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.40 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 3.86 -0.04 5.64 0.08 -1.26 -4.93 117.98 119.33 1aoy s PHE 23 Ca 0.00 1.65 0.08 0.00 0.12 0.00 0.00 56.93 58.79 1aoy s PHE 23 Cb 0.00 -2.85 -0.13 0.00 -0.57 0.00 0.00 43.02 39.47 1aoy s PHE 23 CO 0.00 0.40 0.20 -1.13 -0.10 0.00 0.00 175.22 174.59 1aoy n SER 24 N 2.06 2.87 -4.24 1.36 3.41 -1.26 0.52 113.62 118.34 1aoy n SER 24 Ca -0.03 -0.05 -0.20 0.00 -0.26 0.00 0.00 58.87 58.32 1aoy n SER 24 Cb 0.49 1.35 -0.12 0.00 -0.26 0.00 0.00 64.21 65.68 1aoy n SER 24 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1aoy s SER 25 N -2.88 2.11 0.08 4.04 1.04 -1.26 -4.66 113.70 112.17 1aoy s SER 25 Ca -0.03 -0.72 -0.32 0.00 0.48 0.00 0.00 55.95 55.36 1aoy s SER 25 Cb 0.05 -0.09 -0.16 0.00 0.10 0.00 0.00 66.02 65.92 1aoy s SER 25 CO 0.35 -0.06 1.62 1.56 0.98 0.00 0.00 173.24 177.69 1aoy h GLN 26 N 3.89 -0.80 -1.36 4.02 4.20 -1.97 -3.07 115.11 120.02 1aoy h GLN 26 Ca -0.42 0.05 0.41 0.00 0.06 0.00 0.00 58.65 58.75 1aoy h GLN 26 Cb 1.19 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 29.06 1aoy h GLN 26 CO 0.44 -0.53 0.93 0.78 -0.67 0.00 0.00 178.83 179.78 1aoy h GLY 27 N -0.83 0.70 1.21 3.46 0.00 -1.96 0.62 103.07 106.27 1aoy h GLY 27 Ca -0.06 -0.08 -0.27 0.00 0.00 0.00 0.00 47.33 46.93 1aoy h GLY 27 CO 0.04 -0.17 -1.04 0.83 0.00 0.00 0.00 176.54 176.20 1aoy h GLU 28 N 0.10 0.71 0.00 4.80 5.08 -1.97 -2.32 114.58 120.98 1aoy h GLU 28 Ca 0.73 -0.75 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1aoy h GLU 28 Cb 2.53 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.98 1aoy h GLU 28 CO -0.21 1.33 -0.35 0.97 -1.00 0.00 0.00 179.01 179.75 1aoy h ILE 29 N 0.40 0.83 0.11 3.13 2.10 -0.98 -0.28 117.51 122.83 1aoy h ILE 29 Ca -0.13 -1.45 -0.01 0.00 1.08 0.00 0.00 64.86 64.36 1aoy h ILE 29 Cb 1.69 1.90 0.00 0.00 -1.09 0.00 0.00 36.82 39.32 1aoy h ILE 29 CO 0.20 0.34 -0.05 0.58 -1.08 0.00 0.00 178.15 178.14 1aoy h VAL 30 N 0.00 0.96 -0.44 2.19 2.07 -1.07 -2.19 116.25 117.76 1aoy h VAL 30 Ca -0.00 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1aoy h VAL 30 Cb 0.87 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1aoy h VAL 30 CO 0.05 0.06 -0.07 0.00 0.02 0.00 0.00 177.57 177.63 1aoy h ALA 31 N 0.61 1.06 -0.56 1.67 0.00 -1.24 -2.26 119.26 118.54 1aoy h ALA 31 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1aoy h ALA 31 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1aoy h ALA 31 CO 0.03 0.58 0.35 0.00 0.00 0.00 0.00 179.25 180.20 1aoy h ALA 32 N 1.23 0.72 -0.05 0.00 0.00 -0.89 -1.71 119.26 118.57 1aoy h ALA 32 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1aoy h ALA 32 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1aoy h ALA 32 CO 0.03 0.08 -0.64 -0.07 0.00 0.00 0.00 179.25 178.65 1aoy h LEU 33 N 0.69 0.21 -0.93 0.00 3.38 -1.29 -1.95 115.31 115.43 1aoy h LEU 33 Ca 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1aoy h LEU 33 Cb -0.00 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1aoy h LEU 33 CO -0.09 0.79 0.58 1.56 0.09 0.00 0.00 178.44 181.38 1aoy h GLN 34 N 0.13 1.25 -0.03 1.13 4.20 -0.90 -1.38 115.11 119.51 1aoy h GLN 34 Ca -0.01 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 1aoy h GLN 34 Cb 1.15 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1aoy h GLN 34 CO 0.10 0.85 -0.68 0.93 -0.67 0.00 0.00 178.83 179.36 1aoy h GLU 35 N 1.27 0.13 0.51 1.46 5.08 -1.21 -3.30 114.58 118.51 1aoy h GLU 35 Ca 0.34 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1aoy h GLU 35 Cb -0.09 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1aoy h GLU 35 CO -0.07 0.76 -0.24 1.96 -1.00 0.00 0.00 179.01 180.42 1aoy h GLN 36 N 0.09 -0.66 0.00 2.33 1.08 -0.59 -3.47 115.11 113.89 1aoy h GLN 36 Ca -0.01 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1aoy h GLN 36 Cb 1.21 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1aoy h GLN 36 CO 0.10 -0.37 0.00 0.41 -0.95 0.00 0.00 178.83 178.02 1aoy n GLY 37 N -0.93 0.00 3.09 3.46 0.00 -0.59 -5.10 105.19 105.12 1aoy n GLY 37 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 2.54 -0.13 1.61 0.08 -0.86 -4.99 117.98 116.23 1aoy s PHE 38 Ca 0.00 -1.44 0.21 0.00 0.12 0.00 0.00 56.93 55.82 1aoy s PHE 38 Cb 0.00 -1.78 -0.19 0.00 -0.57 0.00 0.00 43.02 40.48 1aoy s PHE 38 CO 0.00 -0.72 0.69 -0.40 -0.10 0.00 0.00 175.22 174.69 1aoy n ASP 39 N 4.57 0.41 -3.66 1.36 5.75 -1.26 -4.24 116.55 119.49 1aoy n ASP 39 Ca -0.20 0.16 -0.41 0.00 -0.01 0.00 0.00 54.79 54.34 1aoy n ASP 39 Cb 0.50 1.14 0.02 0.00 -1.03 0.00 0.00 41.12 41.75 1aoy n ASP 39 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1aoy n ASN 40 N -2.52 7.33 -3.97 -1.12 3.02 -1.26 -4.96 115.26 111.78 1aoy n ASN 40 Ca -0.05 -3.62 -0.12 0.00 -0.03 0.00 0.00 54.58 50.76 1aoy n ASN 40 Cb 0.64 -1.20 -0.12 0.00 -0.61 0.00 0.00 39.78 38.49 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1aoy s ILE 41 N -3.93 0.25 0.25 2.41 -1.09 -1.26 -5.02 121.20 112.81 1aoy s ILE 41 Ca 0.40 -0.63 -0.20 0.00 -2.23 0.00 0.00 60.65 57.99 1aoy s ILE 41 Cb 0.18 -0.31 0.07 0.00 -1.58 0.00 0.00 42.46 40.82 1aoy s ILE 41 CO -0.11 -0.25 0.96 0.54 -1.23 0.00 0.00 174.94 174.85 1aoy s ASN 42 N -0.93 0.00 0.26 3.58 2.20 -1.26 -5.00 114.94 113.78 1aoy s ASN 42 Ca -0.08 -0.83 -0.05 0.00 -0.94 0.00 0.00 52.86 50.97 1aoy s ASN 42 Cb -0.06 0.62 0.32 0.00 -2.00 0.00 0.00 41.25 40.12 1aoy s ASN 42 CO -0.00 -1.22 1.91 -0.61 -2.94 0.00 0.00 177.10 174.23 1aoy h GLN 43 N 2.00 1.24 -0.50 3.55 4.15 -1.97 -1.75 115.11 121.83 1aoy h GLN 43 Ca -0.29 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.00 1aoy h GLN 43 Cb 1.23 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1aoy h GLN 43 CO 0.37 0.82 0.10 0.77 -1.93 0.00 0.00 178.83 178.97 1aoy h SER 44 N 1.28 0.78 -0.88 -0.69 0.02 -1.98 -0.09 113.55 111.99 1aoy h SER 44 Ca 0.40 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1aoy h SER 44 Cb -0.02 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1aoy h SER 44 CO -0.12 0.82 0.58 0.50 -1.14 0.00 0.00 176.83 177.47 1aoy h LYS 45 N 0.69 1.15 -0.14 3.45 1.63 -1.82 0.25 116.57 121.79 1aoy h LYS 45 Ca 0.15 -0.07 -0.21 0.00 -0.85 0.00 0.00 60.65 59.67 1aoy h LYS 45 Cb 0.37 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1aoy h LYS 45 CO 0.01 0.77 -0.75 0.28 -3.45 0.00 0.00 179.45 176.30 1aoy h VAL 46 N 1.19 1.31 -0.13 2.00 2.07 -1.15 -0.79 116.25 120.74 1aoy h VAL 46 Ca 0.32 -2.01 -0.16 0.00 0.82 0.00 0.00 66.70 65.67 1aoy h VAL 46 Cb -0.13 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1aoy h VAL 46 CO -0.07 0.63 -0.59 -1.28 0.02 0.00 0.00 177.57 176.28 1aoy h SER 47 N 0.46 0.48 -0.17 0.57 0.87 -0.75 -1.00 113.55 114.01 1aoy h SER 47 Ca -0.04 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1aoy h SER 47 Cb 1.36 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1aoy h SER 47 CO 0.15 0.97 -0.03 0.03 -0.53 0.00 0.00 176.83 177.42 1aoy h ARG 48 N 0.32 0.32 -0.28 2.24 3.08 -0.46 -1.93 114.38 117.66 1aoy h ARG 48 Ca -0.00 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1aoy h ARG 48 Cb 1.12 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1aoy h ARG 48 CO 0.10 0.57 0.02 0.52 -1.07 0.00 0.00 179.97 180.11 1aoy h MET 49 N 0.04 0.41 -0.01 0.04 2.86 -1.09 0.18 114.93 117.35 1aoy h MET 49 Ca 0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1aoy h MET 49 Cb 0.44 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1aoy h MET 49 CO 0.01 0.42 0.00 -0.07 1.06 0.00 0.00 176.91 178.34 1aoy h LEU 50 N 0.40 0.02 -0.66 1.22 3.38 -1.02 0.17 115.31 118.82 1aoy h LEU 50 Ca 0.09 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1aoy h LEU 50 Cb 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1aoy h LEU 50 CO 0.00 0.24 -0.18 0.74 0.09 0.00 0.00 178.44 179.34 1aoy h THR 51 N -0.21 1.27 0.35 0.22 2.02 -1.05 0.12 112.91 115.63 1aoy h THR 51 Ca 0.00 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 1aoy h THR 51 Cb 0.23 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1aoy h THR 51 CO 0.00 0.44 -0.17 0.50 0.37 0.00 0.00 175.52 176.66 1aoy h LYS 52 N 0.76 -0.45 0.00 6.66 3.11 -0.58 -3.29 116.57 122.78 1aoy h LYS 52 Ca 0.11 0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.87 1aoy h LYS 52 Cb 0.70 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 1aoy h LYS 52 CO 0.05 -0.13 -0.54 0.74 -2.81 0.00 0.00 179.45 176.76 1aoy h PHE 53 N -0.86 0.00 -2.49 1.91 0.04 -0.72 -3.48 116.94 111.33 1aoy h PHE 53 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1aoy h PHE 53 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1aoy h PHE 53 CO 0.03 0.54 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 1aoy n GLY 54 N 0.53 0.73 3.72 -1.45 0.00 0.37 -4.97 105.19 104.12 1aoy n GLY 54 Ca -0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.94 3.24 -0.03 4.61 0.00 -0.99 -4.50 121.76 121.15 1aoy s ALA 55 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 1aoy s ALA 55 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1aoy s ALA 55 CO 0.00 -0.09 0.05 0.14 0.00 0.00 0.00 175.76 175.86 1aoy s VAL 56 N 0.38 4.55 -0.17 0.00 -7.23 0.76 -4.84 120.40 113.84 1aoy s VAL 56 Ca 0.47 -0.37 -0.19 0.00 -1.81 0.00 0.00 61.98 60.08 1aoy s VAL 56 Cb -0.22 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 1aoy s VAL 56 CO 0.28 0.44 0.56 -0.13 -0.31 0.00 0.00 175.10 175.94 1aoy s ARG 57 N -1.42 4.25 0.09 4.82 0.52 -1.26 -0.23 118.95 125.72 1aoy s ARG 57 Ca 0.19 0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 55.81 1aoy s ARG 57 Cb -0.12 -3.53 0.01 0.00 0.52 0.00 0.00 34.95 31.83 1aoy s ARG 57 CO 0.09 -0.09 0.25 -0.08 0.02 0.00 0.00 175.30 175.49 1aoy s THR 58 N 1.43 0.12 -0.03 0.02 -1.32 -0.16 -4.89 115.64 110.80 1aoy s THR 58 Ca 0.27 -0.98 -0.30 0.00 -1.21 0.00 0.00 61.69 59.47 1aoy s THR 58 Cb -0.16 -1.24 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1aoy s THR 58 CO 0.11 -0.54 1.21 -0.13 -2.21 0.00 0.00 174.62 173.06 1aoy s ARG 59 N -3.65 4.36 0.00 7.08 0.52 -1.26 -0.63 118.95 125.38 1aoy s ARG 59 Ca 0.03 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 1aoy s ARG 59 Cb 0.03 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.98 1aoy s ARG 59 CO -0.10 -0.42 0.00 0.27 0.02 0.00 0.00 175.30 175.07 1aoy n ASN 60 N 4.99 0.00 -0.27 0.23 6.94 -0.38 -4.82 115.26 121.95 1aoy n ASN 60 Ca 0.11 -0.16 0.09 0.00 -0.02 0.00 0.00 54.58 54.60 1aoy n ASN 60 Cb 0.46 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 38.21 1aoy n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aoy h ALA 61 N -1.67 1.71 -0.74 -2.53 0.00 -1.94 -2.12 119.26 111.97 1aoy h ALA 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 1aoy h ALA 61 Cb 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 17.79 17.38 1aoy h ALA 61 CO 0.00 0.09 0.30 1.63 0.00 0.00 0.00 179.25 181.27 1aoy n LYS 62 N -4.54 2.26 -1.83 0.00 5.02 -1.26 -4.93 118.16 112.88 1aoy n LYS 62 Ca 0.16 -3.21 -0.18 0.00 -2.02 0.00 0.00 58.31 53.05 1aoy n LYS 62 Cb 0.36 -2.07 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 1aoy n LYS 62 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1aoy n MET 63 N -1.07 -1.34 -3.13 1.97 2.81 -0.80 -4.98 117.12 110.58 1aoy n MET 63 Ca 0.49 1.05 -0.40 0.00 -1.81 0.00 0.00 57.70 57.03 1aoy n MET 63 Cb 1.23 -5.42 -0.06 0.00 -0.71 0.00 0.00 33.22 28.26 1aoy n MET 63 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1aoy s GLU 64 N -4.04 4.18 -0.81 0.03 2.02 -1.26 -4.71 118.70 114.10 1aoy s GLU 64 Ca 0.00 0.58 -0.25 0.00 0.02 0.00 0.00 54.97 55.31 1aoy s GLU 64 Cb 0.00 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 1aoy s GLU 64 CO 0.00 -0.29 1.80 -1.64 0.02 0.00 0.00 175.26 175.15 1aoy s MET 65 N 2.09 2.76 0.20 1.61 -1.94 -1.26 -1.25 119.30 121.50 1aoy s MET 65 Ca 0.27 -0.10 0.10 0.00 -1.71 0.00 0.00 55.69 54.26 1aoy s MET 65 Cb -0.16 -4.81 -0.04 0.00 2.01 0.00 0.00 34.83 31.83 1aoy s MET 65 CO 0.10 -2.92 -0.13 0.14 -0.01 0.00 0.00 175.02 172.19 1aoy s VAL 66 N 8.77 2.95 0.02 -6.03 -7.23 0.20 -4.51 120.40 114.57 1aoy s VAL 66 Ca 0.63 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1aoy s VAL 66 Cb -0.08 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 1aoy s VAL 66 CO 0.06 -0.15 1.34 -0.31 -0.31 0.00 0.00 175.10 175.73 1aoy s TYR 67 N -1.80 3.04 0.09 2.82 2.02 0.18 -0.99 117.35 122.71 1aoy s TYR 67 Ca 0.25 0.96 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1aoy s TYR 67 Cb -0.08 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.84 1aoy s TYR 67 CO 0.14 -2.11 -0.03 0.00 -1.57 0.00 0.00 175.55 171.98 1aoy s LEU 69 N -3.01 4.30 0.40 0.00 2.96 -1.26 -0.17 118.68 121.90 1aoy s LEU 69 Ca 0.13 0.43 -0.25 0.00 -0.22 0.00 0.00 54.13 54.21 1aoy s LEU 69 Cb 0.07 -2.18 -0.08 0.00 0.50 0.00 0.00 46.19 44.50 1aoy s LEU 69 CO -0.05 0.26 1.18 -2.16 -1.32 0.00 0.00 176.35 174.26 1aoy s PRO 70 N -0.24 4.06 -0.11 0.98 0.04 -1.26 -4.88 135.00 133.59 1aoy s PRO 70 Ca 0.13 1.86 -0.38 0.00 0.04 0.00 0.00 61.00 62.65 1aoy s PRO 70 Cb -0.12 -2.69 -0.16 0.00 0.04 0.00 0.00 34.50 31.57 1aoy s PRO 70 CO 0.03 -0.32 1.56 0.00 0.04 0.00 0.00 177.00 178.30 1aoy n ALA 71 N 0.10 -0.56 -2.61 8.56 0.00 -1.26 -4.00 120.51 120.74 1aoy n ALA 71 Ca 0.04 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.91 1aoy n ALA 71 Cb 0.46 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 1aoy n ALA 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aoy n GLU 72 N 4.05 -3.67 -3.49 0.00 1.02 -1.26 -4.98 120.64 112.31 1aoy n GLU 72 Ca 0.23 2.89 -0.43 0.00 -0.02 0.00 0.00 57.16 59.83 1aoy n GLU 72 Cb 0.16 -5.07 -0.06 0.00 -0.02 0.00 0.00 31.44 26.45 1aoy n GLU 72 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1aoy s LEU 73 N -1.25 6.05 0.00 -4.62 2.96 -1.26 -4.86 118.68 115.70 1aoy s LEU 73 Ca -0.09 -2.53 0.00 0.00 -0.22 0.00 0.00 54.13 51.29 1aoy s LEU 73 Cb 0.01 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.63 1aoy s LEU 73 CO 0.75 -0.55 0.00 0.61 -1.32 0.00 0.00 176.35 175.83 1aoy n GLY 74 N 4.09 -1.01 3.84 7.98 0.00 -1.26 -5.17 105.19 113.67 1aoy n GLY 74 Ca 0.06 0.68 -0.31 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 4.39 -0.18 1.61 -7.23 -1.26 -4.96 120.40 112.77 1aoy s VAL 75 Ca 0.00 0.88 -0.28 0.00 -1.81 0.00 0.00 61.98 60.76 1aoy s VAL 75 Cb 0.00 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 1aoy s VAL 75 CO 0.00 -0.92 2.10 -2.84 -0.31 0.00 0.00 175.10 173.12 1aoy s PRO 76 N -4.83 3.37 0.22 4.82 0.02 -1.26 -4.93 135.00 132.41 1aoy s PRO 76 Ca 0.57 2.05 -0.00 0.00 0.02 0.00 0.00 61.00 63.64 1aoy s PRO 76 Cb -0.12 -4.30 0.00 0.00 0.02 0.00 0.00 34.50 30.10 1aoy s PRO 76 CO 0.48 -1.83 0.29 -2.37 -0.33 0.00 0.00 177.00 173.24 1aoy n THR 77 N 7.24 0.00 1.30 0.99 5.66 -1.26 -5.36 114.28 122.85 1aoy n THR 77 Ca 0.27 -1.19 0.13 0.00 -3.05 0.00 0.00 64.05 60.21 1aoy n THR 77 Cb 0.44 0.70 0.35 0.00 -1.55 0.00 0.00 70.33 70.28 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37