#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 1.41 0.01 2.12 0.52 -1.26 -5.05 118.95 116.70 1aoy s ARG 2 Ca 0.00 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.74 1aoy s ARG 2 Cb 0.00 -1.24 -0.01 0.00 0.52 0.00 0.00 34.95 34.22 1aoy s ARG 2 CO 0.00 0.14 -0.07 -1.13 0.02 0.00 0.00 175.30 174.25 1aoy n SER 3 N 3.37 0.93 -3.33 0.23 3.41 -1.26 -5.01 113.62 111.97 1aoy n SER 3 Ca -0.19 0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.41 1aoy n SER 3 Cb 0.53 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1aoy n SER 3 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1aoy s SER 4 N -5.56 0.72 -1.18 4.04 0.01 -1.26 -5.04 113.70 105.44 1aoy s SER 4 Ca -0.06 -1.53 -0.19 0.00 1.31 0.00 0.00 55.95 55.48 1aoy s SER 4 Cb 0.01 0.77 0.08 0.00 0.21 0.00 0.00 66.02 67.08 1aoy s SER 4 CO 0.09 -0.24 1.59 0.00 0.41 0.00 0.00 173.24 175.09 1aoy s ALA 5 N 1.42 3.19 -0.33 1.44 0.00 -1.26 -4.65 121.76 121.57 1aoy s ALA 5 Ca 0.18 -2.74 -0.18 0.00 0.00 0.00 0.00 51.96 49.22 1aoy s ALA 5 Cb -0.13 -4.54 0.03 0.00 0.00 0.00 0.00 23.12 18.48 1aoy s ALA 5 CO -0.03 -3.34 0.39 1.63 0.00 0.00 0.00 175.76 174.40 1aoy n LYS 6 N 8.22 -2.01 -3.89 0.00 4.76 -1.26 -3.58 118.16 120.41 1aoy n LYS 6 Ca 0.42 1.74 -0.30 0.00 -2.87 0.00 0.00 58.31 57.30 1aoy n LYS 6 Cb 0.47 -3.47 0.02 0.00 -1.84 0.00 0.00 35.03 30.22 1aoy n LYS 6 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1aoy n GLN 7 N 0.25 -5.17 0.04 1.97 6.02 -1.26 -4.86 117.38 114.37 1aoy n GLN 7 Ca 0.01 0.58 0.11 0.00 -0.01 0.00 0.00 57.00 57.68 1aoy n GLN 7 Cb 0.46 -5.45 0.45 0.00 1.02 0.00 0.00 30.24 26.72 1aoy n GLN 7 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1aoy n GLU 8 N -4.59 0.07 0.10 -1.09 0.28 -1.23 -2.41 120.64 111.76 1aoy n GLU 8 Ca 0.04 0.20 -0.02 0.00 -0.16 0.00 0.00 57.16 57.23 1aoy n GLU 8 Cb 0.52 -1.60 0.23 0.00 1.43 0.00 0.00 31.44 32.02 1aoy n GLU 8 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1aoy h GLU 9 N 0.00 0.24 0.00 3.44 3.07 -1.91 -1.45 114.58 117.96 1aoy h GLU 9 Ca 0.00 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1aoy h GLU 9 Cb 0.40 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1aoy h GLU 9 CO 0.00 0.60 -0.04 1.25 -1.40 0.00 0.00 179.01 179.43 1aoy h LEU 10 N 0.20 0.00 0.04 1.33 5.85 -1.87 -1.07 115.31 119.79 1aoy h LEU 10 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1aoy h LEU 10 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1aoy h LEU 10 CO 0.06 0.04 -0.02 0.58 -0.34 0.00 0.00 178.44 178.76 1aoy h VAL 11 N 0.00 1.16 -0.85 1.05 2.07 -1.42 -0.99 116.25 117.27 1aoy h VAL 11 Ca -0.00 -1.67 0.18 0.00 0.82 0.00 0.00 66.70 66.04 1aoy h VAL 11 Cb 0.07 2.10 -0.11 0.00 -1.52 0.00 0.00 31.29 31.83 1aoy h VAL 11 CO 0.00 0.36 0.38 0.11 0.02 0.00 0.00 177.57 178.45 1aoy h LYS 12 N -0.92 0.46 0.19 1.57 6.56 -1.14 0.13 116.57 123.42 1aoy h LYS 12 Ca -0.01 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1aoy h LYS 12 Cb 0.64 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 1aoy h LYS 12 CO 0.01 0.30 -0.09 0.00 -2.06 0.00 0.00 179.45 177.61 1aoy h ALA 13 N 1.63 -0.26 0.16 3.86 0.00 -1.30 -2.31 119.26 121.05 1aoy h ALA 13 Ca 0.50 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1aoy h ALA 13 Cb 0.85 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1aoy h ALA 13 CO -0.46 -0.48 -0.45 0.35 0.00 0.00 0.00 179.25 178.22 1aoy h PHE 14 N -0.60 -1.29 -0.77 0.00 3.57 0.08 -0.27 116.94 117.66 1aoy h PHE 14 Ca -0.03 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1aoy h PHE 14 Cb 0.44 0.54 -0.11 0.00 2.79 0.00 0.00 35.95 39.62 1aoy h PHE 14 CO 0.03 -0.52 0.27 0.87 -2.23 0.00 0.00 178.31 176.73 1aoy h LYS 15 N -0.68 0.36 -0.21 1.11 1.79 -0.91 -1.85 116.57 116.18 1aoy h LYS 15 Ca -0.01 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1aoy h LYS 15 Cb 0.67 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1aoy h LYS 15 CO -0.21 0.24 0.11 0.00 -1.08 0.00 0.00 179.45 178.50 1aoy h ALA 16 N 1.60 0.27 -0.64 3.86 0.00 -0.96 -0.63 119.26 122.75 1aoy h ALA 16 Ca 0.44 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.38 1aoy h ALA 16 Cb 0.72 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1aoy h ALA 16 CO -0.46 -0.19 0.26 -0.07 0.00 0.00 0.00 179.25 178.78 1aoy h LEU 17 N 0.22 0.27 0.16 0.00 3.38 -0.24 -0.73 115.31 118.37 1aoy h LEU 17 Ca 0.07 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1aoy h LEU 17 Cb 0.09 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1aoy h LEU 17 CO -0.01 0.15 -0.08 -0.07 0.09 0.00 0.00 178.44 178.52 1aoy h LEU 18 N 0.44 -0.18 -2.61 1.67 3.38 -1.30 -3.24 115.31 113.47 1aoy h LEU 18 Ca 0.33 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aoy h LEU 18 Cb 0.41 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1aoy h LEU 18 CO -0.31 0.26 -0.01 0.11 0.09 0.00 0.00 178.44 178.58 1aoy h LYS 19 N -0.68 0.00 0.00 1.13 1.57 -0.88 -0.45 116.57 117.26 1aoy h LYS 19 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 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 0.04 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.32 1aoy n GLU 20 N -3.30 0.15 -2.89 3.15 1.02 -0.30 -4.88 120.64 113.58 1aoy n GLU 20 Ca -0.02 0.18 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 1aoy n GLU 20 Cb 0.12 -1.70 0.01 0.00 -0.02 0.00 0.00 31.44 29.85 1aoy n GLU 20 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1aoy n GLU 21 N -1.96 -2.21 0.00 3.49 1.02 -0.18 -5.00 120.64 115.80 1aoy n GLU 21 Ca 0.05 2.02 0.00 0.00 -0.02 0.00 0.00 57.16 59.21 1aoy n GLU 21 Cb 0.35 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.12 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 -0.54 0.00 -2.74 3.49 4.81 -1.26 -5.03 118.16 116.90 1aoy n LYS 22 Ca 0.10 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.12 1aoy n LYS 22 Cb 0.47 -0.03 -0.04 0.00 0.02 0.00 0.00 35.03 35.45 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 -1.93 3.73 -0.07 5.64 0.08 -1.26 -4.91 117.98 119.26 1aoy s PHE 23 Ca 0.00 1.72 0.20 0.00 0.12 0.00 0.00 56.93 58.98 1aoy s PHE 23 Cb 0.00 -3.07 -0.30 0.00 -0.57 0.00 0.00 43.02 39.07 1aoy s PHE 23 CO 0.00 0.10 0.36 -1.13 -0.10 0.00 0.00 175.22 174.45 1aoy n SER 24 N 3.36 0.20 -4.20 1.36 3.41 -1.26 -0.02 113.62 116.47 1aoy n SER 24 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1aoy n SER 24 Cb 0.50 1.70 -0.10 0.00 -0.26 0.00 0.00 64.21 66.05 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 -4.68 1.02 0.08 4.04 1.04 -1.26 -4.47 113.70 109.47 1aoy s SER 25 Ca -0.08 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 54.92 1aoy s SER 25 Cb 0.11 0.14 -0.17 0.00 0.10 0.00 0.00 66.02 66.21 1aoy s SER 25 CO 0.85 -0.57 1.65 1.56 0.98 0.00 0.00 173.24 177.71 1aoy h GLN 26 N 2.82 -0.65 -1.50 4.02 7.50 -1.96 -3.05 115.11 122.28 1aoy h GLN 26 Ca -0.36 0.04 0.44 0.00 0.50 0.00 0.00 58.65 59.27 1aoy h GLN 26 Cb 1.19 0.15 -0.07 0.00 0.05 0.00 0.00 27.48 28.79 1aoy h GLN 26 CO 0.63 -0.43 1.06 0.78 -1.50 0.00 0.00 178.83 179.36 1aoy h GLY 27 N -0.68 0.27 0.28 3.46 0.00 -1.96 0.33 103.07 104.77 1aoy h GLY 27 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1aoy h GLY 27 CO 0.07 -0.07 -0.04 0.83 0.00 0.00 0.00 176.54 177.34 1aoy h GLU 28 N 0.04 0.03 0.00 4.80 5.08 -1.97 -3.22 114.58 119.34 1aoy h GLU 28 Ca 0.75 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1aoy h GLU 28 Cb 2.84 0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.09 1aoy h GLU 28 CO -0.09 0.78 0.00 0.97 -1.00 0.00 0.00 179.01 179.67 1aoy h ILE 29 N -0.71 0.00 -0.74 3.13 2.10 -1.02 -1.82 117.51 118.44 1aoy h ILE 29 Ca -0.00 -0.41 -0.06 0.00 1.08 0.00 0.00 64.86 65.47 1aoy h ILE 29 Cb 0.79 1.39 -0.03 0.00 -1.09 0.00 0.00 36.82 37.88 1aoy h ILE 29 CO 0.01 0.00 0.24 0.58 -1.08 0.00 0.00 178.15 177.90 1aoy h VAL 30 N 0.00 1.26 0.09 2.19 2.07 -1.23 -2.52 116.25 118.10 1aoy h VAL 30 Ca 0.00 -0.89 -0.29 0.00 0.82 0.00 0.00 66.70 66.34 1aoy h VAL 30 Cb 0.42 0.43 0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1aoy h VAL 30 CO 0.00 0.35 -1.19 0.00 0.02 0.00 0.00 177.57 176.75 1aoy h ALA 31 N 1.16 0.04 -0.26 1.67 0.00 -1.37 -3.14 119.26 117.36 1aoy h ALA 31 Ca 0.24 -0.76 0.05 0.00 0.00 0.00 0.00 54.91 54.45 1aoy h ALA 31 Cb 0.29 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1aoy h ALA 31 CO -0.01 0.70 -0.09 0.00 0.00 0.00 0.00 179.25 179.85 1aoy h ALA 32 N 0.34 0.14 0.00 0.00 0.00 -1.25 -1.00 119.26 117.48 1aoy h ALA 32 Ca -0.17 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1aoy h ALA 32 Cb 1.86 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1aoy h ALA 32 CO 0.23 -0.49 -0.16 -0.07 0.00 0.00 0.00 179.25 178.75 1aoy h LEU 33 N -0.04 0.00 -0.41 0.00 3.38 -1.58 -1.97 115.31 114.69 1aoy h LEU 33 Ca 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1aoy h LEU 33 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1aoy h LEU 33 CO -0.28 0.16 -0.33 1.56 0.09 0.00 0.00 178.44 179.64 1aoy h GLN 34 N 0.00 0.95 0.00 1.13 4.20 -1.16 -1.96 115.11 118.27 1aoy h GLN 34 Ca -0.00 -0.47 -0.13 0.00 0.06 0.00 0.00 58.65 58.11 1aoy h GLN 34 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1aoy h GLN 34 CO 0.02 1.13 -0.60 0.93 -0.67 0.00 0.00 178.83 179.64 1aoy h GLU 35 N 0.78 0.00 0.66 1.46 5.08 -1.10 -3.33 114.58 118.13 1aoy h GLU 35 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1aoy h GLU 35 Cb 0.92 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1aoy h GLU 35 CO 0.09 0.60 -0.32 1.96 -1.00 0.00 0.00 179.01 180.34 1aoy h GLN 36 N 0.00 -0.86 0.00 2.33 1.08 -1.16 -3.47 115.11 113.03 1aoy h GLN 36 Ca -0.01 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1aoy h GLN 36 Cb 1.13 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1aoy h GLN 36 CO 0.08 -0.57 0.00 0.41 -0.95 0.00 0.00 178.83 177.79 1aoy n GLY 37 N -0.93 0.00 2.92 3.46 0.00 -0.97 -5.11 105.19 104.57 1aoy n GLY 37 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 1.81 -0.89 1.61 0.08 -0.77 -4.99 117.98 114.83 1aoy s PHE 38 Ca 0.00 -1.11 0.23 0.00 0.12 0.00 0.00 56.93 56.18 1aoy s PHE 38 Cb 0.00 -1.37 0.19 0.00 -0.57 0.00 0.00 43.02 41.27 1aoy s PHE 38 CO 0.00 -0.62 1.18 -3.47 -0.10 0.00 0.00 175.22 172.21 1aoy n ASP 39 N 4.85 0.66 -3.26 1.36 2.03 -1.26 -4.07 116.55 116.86 1aoy n ASP 39 Ca -0.13 -0.42 -0.39 0.00 0.52 0.00 0.00 54.79 54.37 1aoy n ASP 39 Cb 0.48 0.58 0.02 0.00 -0.72 0.00 0.00 41.12 41.48 1aoy n ASP 39 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1aoy n ASN 40 N -1.64 7.42 -3.90 1.67 4.13 -1.26 -4.94 115.26 116.75 1aoy n ASN 40 Ca 0.04 -3.63 -0.14 0.00 1.68 0.00 0.00 54.58 52.53 1aoy n ASN 40 Cb 0.36 -1.16 -0.14 0.00 -1.54 0.00 0.00 39.78 37.29 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1aoy s ILE 41 N -4.01 0.19 0.37 2.41 -1.09 -1.26 -5.04 121.20 112.77 1aoy s ILE 41 Ca 0.47 -0.07 -0.16 0.00 -2.23 0.00 0.00 60.65 58.66 1aoy s ILE 41 Cb 0.29 -0.18 0.05 0.00 -1.58 0.00 0.00 42.46 41.04 1aoy s ILE 41 CO -0.23 0.07 0.76 0.54 -1.23 0.00 0.00 174.94 174.85 1aoy s ASN 42 N 0.11 0.02 0.18 3.58 2.20 -1.26 -5.02 114.94 114.74 1aoy s ASN 42 Ca -0.01 -1.10 -0.15 0.00 -0.94 0.00 0.00 52.86 50.66 1aoy s ASN 42 Cb -0.03 0.83 0.15 0.00 -2.00 0.00 0.00 41.25 40.19 1aoy s ASN 42 CO -0.00 -1.63 1.68 -0.61 -2.94 0.00 0.00 177.10 173.60 1aoy h GLN 43 N 2.01 0.07 0.18 3.55 5.75 -1.96 -0.73 115.11 123.97 1aoy h GLN 43 Ca -0.30 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.18 1aoy h GLN 43 Cb 1.25 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1aoy h GLN 43 CO 0.38 0.05 -0.08 0.66 -2.65 0.00 0.00 178.83 177.19 1aoy h SER 44 N 0.07 -0.20 -0.73 -0.69 4.64 -1.98 -1.35 113.55 113.31 1aoy h SER 44 Ca 0.22 -0.17 0.11 0.00 -0.47 0.00 0.00 61.79 61.48 1aoy h SER 44 Cb 0.33 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1aoy h SER 44 CO -0.40 0.06 0.48 0.50 -0.87 0.00 0.00 176.83 176.60 1aoy h LYS 45 N -0.46 0.56 -0.05 4.77 3.64 -1.91 0.28 116.57 123.40 1aoy h LYS 45 Ca -0.02 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1aoy h LYS 45 Cb 0.36 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1aoy h LYS 45 CO 0.04 0.37 -0.34 0.28 -2.27 0.00 0.00 179.45 177.53 1aoy h VAL 46 N 0.58 1.44 -0.08 2.00 2.07 -1.03 -2.31 116.25 118.91 1aoy h VAL 46 Ca 0.34 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 1aoy h VAL 46 Cb 0.54 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1aoy h VAL 46 CO -0.12 0.51 -0.30 0.77 0.02 0.00 0.00 177.57 178.46 1aoy h SER 47 N -0.19 0.14 -0.04 0.57 4.64 -0.60 -1.16 113.55 116.90 1aoy h SER 47 Ca -0.03 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1aoy h SER 47 Cb 1.01 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1aoy h SER 47 CO 0.07 0.44 -0.01 0.03 -0.87 0.00 0.00 176.83 176.49 1aoy h ARG 48 N 0.13 0.08 -0.70 4.77 3.08 -0.48 -1.83 114.38 119.43 1aoy h ARG 48 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1aoy h ARG 48 Cb 0.60 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1aoy h ARG 48 CO 0.04 0.40 0.32 0.52 -1.07 0.00 0.00 179.97 180.19 1aoy h MET 49 N -0.25 1.00 -0.85 0.04 2.86 -1.26 0.37 114.93 116.84 1aoy h MET 49 Ca 0.01 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1aoy h MET 49 Cb 0.37 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1aoy h MET 49 CO 0.00 0.78 0.47 -0.07 1.06 0.00 0.00 176.91 179.15 1aoy h LEU 50 N 0.99 1.06 0.01 1.22 3.38 -1.12 0.76 115.31 121.60 1aoy h LEU 50 Ca 0.24 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1aoy h LEU 50 Cb 0.12 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.61 1aoy h LEU 50 CO -0.03 0.85 -0.51 0.74 0.09 0.00 0.00 178.44 179.58 1aoy h THR 51 N 1.19 1.47 -0.10 0.22 2.02 -0.72 0.17 112.91 117.15 1aoy h THR 51 Ca 0.30 -2.07 0.02 0.00 0.77 0.00 0.00 66.41 65.43 1aoy h THR 51 Cb 0.02 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1aoy h THR 51 CO -0.05 0.59 -0.02 0.50 0.37 0.00 0.00 175.52 176.91 1aoy h LYS 52 N -0.24 0.00 0.00 6.66 3.64 -0.12 -1.81 116.57 124.71 1aoy h LYS 52 Ca -0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1aoy h LYS 52 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1aoy h LYS 52 CO 0.10 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.47 1aoy n PHE 53 N -5.14 0.00 -3.08 1.91 3.72 0.25 -4.94 117.46 110.18 1aoy n PHE 53 Ca -0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.22 1aoy n PHE 53 Cb 0.08 -0.30 0.06 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.99 -0.84 3.77 1.37 0.00 -0.68 -4.92 105.19 104.88 1aoy n GLY 54 Ca 0.12 0.43 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.34 3.28 0.38 4.61 0.00 0.55 -4.60 121.76 122.64 1aoy s ALA 55 Ca 0.35 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.10 1aoy s ALA 55 Cb -0.05 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1aoy s ALA 55 CO 0.65 -0.01 0.03 0.14 0.00 0.00 0.00 175.76 176.57 1aoy s VAL 56 N -1.38 2.24 0.03 0.00 -7.23 -0.01 -4.94 120.40 109.11 1aoy s VAL 56 Ca 0.48 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 1aoy s VAL 56 Cb -0.25 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.76 1aoy s VAL 56 CO 0.32 -0.08 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.77 1aoy s ARG 57 N -3.73 2.25 -0.02 4.82 0.52 -1.26 0.04 118.95 121.56 1aoy s ARG 57 Ca 0.36 -0.89 -0.22 0.00 -0.52 0.00 0.00 55.73 54.46 1aoy s ARG 57 Cb 0.05 -2.31 0.04 0.00 0.52 0.00 0.00 34.95 33.25 1aoy s ARG 57 CO 0.19 0.56 0.47 -0.08 0.02 0.00 0.00 175.30 176.46 1aoy s THR 58 N -0.97 0.03 0.25 0.02 -1.32 0.44 -4.94 115.64 109.15 1aoy s THR 58 Ca 0.16 -0.27 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 1aoy s THR 58 Cb -0.11 -0.80 -0.09 0.00 -1.51 0.00 0.00 72.50 69.99 1aoy s THR 58 CO 0.07 -0.15 1.00 -0.60 -2.21 0.00 0.00 174.62 172.73 1aoy s ARG 59 N -1.38 4.77 0.12 7.08 3.52 -1.26 -0.99 118.95 130.80 1aoy s ARG 59 Ca -0.12 1.61 0.02 0.00 -0.13 0.00 0.00 55.73 57.11 1aoy s ARG 59 Cb -0.03 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1aoy s ARG 59 CO 0.06 0.39 0.16 0.27 -0.81 0.00 0.00 175.30 175.37 1aoy n ASN 60 N 1.42 0.39 0.00 -2.12 0.23 -0.86 -4.95 115.26 109.37 1aoy n ASN 60 Ca -0.02 -1.29 0.04 0.00 -0.53 0.00 0.00 54.58 52.79 1aoy n ASN 60 Cb 0.46 -0.09 0.24 0.00 -2.08 0.00 0.00 39.78 38.31 1aoy n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aoy n ALA 61 N -2.89 2.01 -0.99 -2.53 0.00 -1.26 -2.14 120.51 112.71 1aoy n ALA 61 Ca -0.03 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1aoy n ALA 61 Cb 0.12 -1.13 0.09 0.00 0.00 0.00 0.00 19.45 18.52 1aoy n ALA 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aoy n LYS 62 N -0.77 1.37 -0.81 0.00 4.01 -1.26 -4.99 118.16 115.71 1aoy n LYS 62 Ca 0.06 -2.04 0.00 0.00 -0.51 0.00 0.00 58.31 55.82 1aoy n LYS 62 Cb 0.03 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1aoy n LYS 62 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1aoy n MET 63 N -0.98 -0.12 -2.65 1.97 2.81 -0.91 -4.96 117.12 112.28 1aoy n MET 63 Ca 0.10 0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.59 1aoy n MET 63 Cb 0.57 -3.44 -0.02 0.00 -0.71 0.00 0.00 33.22 29.61 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 -0.50 4.01 -1.16 0.03 2.02 -1.26 -4.79 118.70 117.05 1aoy s GLU 64 Ca 0.00 0.97 -0.21 0.00 0.02 0.00 0.00 54.97 55.75 1aoy s GLU 64 Cb 0.00 -3.76 0.02 0.00 0.10 0.00 0.00 34.13 30.48 1aoy s GLU 64 CO 0.00 -0.96 1.73 -1.64 0.02 0.00 0.00 175.26 174.41 1aoy s MET 65 N 3.74 3.39 0.44 1.61 -1.94 -1.26 -2.02 119.30 123.26 1aoy s MET 65 Ca 0.45 -1.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.06 1aoy s MET 65 Cb -0.11 -5.37 0.01 0.00 2.01 0.00 0.00 34.83 31.36 1aoy s MET 65 CO 0.18 -2.75 0.64 0.14 -0.01 0.00 0.00 175.02 173.21 1aoy s VAL 66 N 6.59 3.62 0.33 -6.03 -7.23 -0.17 -4.69 120.40 112.83 1aoy s VAL 66 Ca 0.57 -0.69 -0.27 0.00 -1.81 0.00 0.00 61.98 59.78 1aoy s VAL 66 Cb 0.01 -3.31 -0.09 0.00 0.56 0.00 0.00 36.38 33.54 1aoy s VAL 66 CO 0.04 -0.19 1.09 -0.31 -0.31 0.00 0.00 175.10 175.41 1aoy s TYR 67 N -2.50 3.43 0.17 2.82 2.02 0.97 -0.42 117.35 123.84 1aoy s TYR 67 Ca 0.50 1.67 -0.18 0.00 -0.37 0.00 0.00 57.07 58.70 1aoy s TYR 67 Cb -0.10 -3.24 0.03 0.00 -0.40 0.00 0.00 41.96 38.26 1aoy s TYR 67 CO 0.36 -0.64 0.49 0.00 -1.57 0.00 0.00 175.55 174.20 1aoy s LEU 69 N -2.84 4.31 0.00 0.00 2.96 -1.26 -0.83 118.68 121.01 1aoy s LEU 69 Ca 0.07 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1aoy s LEU 69 Cb -0.00 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1aoy s LEU 69 CO -0.07 0.26 0.00 -2.65 -1.32 0.00 0.00 176.35 172.57 1aoy n PRO 70 N 0.93 1.96 0.00 0.98 -0.02 -1.26 -4.90 135.00 132.68 1aoy n PRO 70 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1aoy n PRO 70 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1aoy n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aoy n ALA 71 N -3.00 0.00 -1.91 3.55 0.00 -1.26 -4.76 120.51 113.13 1aoy n ALA 71 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1aoy n ALA 71 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 1.89 -2.80 0.00 -0.58 -1.26 -4.83 120.64 113.06 1aoy n GLU 72 Ca 0.00 -2.46 -0.43 0.00 -0.42 0.00 0.00 57.16 53.86 1aoy n GLU 72 Cb 0.00 -3.48 0.01 0.00 -0.57 0.00 0.00 31.44 27.40 1aoy n GLU 72 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1aoy n LEU 73 N 11.40 6.62 0.11 -4.62 7.94 -1.26 -4.75 117.00 132.44 1aoy n LEU 73 Ca 0.47 -5.11 -0.08 0.00 -1.11 0.00 0.00 56.01 50.18 1aoy n LEU 73 Cb 0.45 -1.31 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 1aoy n LEU 73 CO 0.79 1.68 0.24 1.23 -1.11 0.00 0.00 177.39 180.22 1aoy h GLY 74 N 5.82 -0.39 -4.66 -3.96 0.00 -1.98 -3.45 103.07 94.45 1aoy h GLY 74 Ca 0.28 0.15 -0.60 0.00 0.00 0.00 0.00 47.33 47.15 1aoy h GLY 74 CO 1.39 -0.14 -0.41 -1.34 0.00 0.00 0.00 176.54 176.04 1aoy s VAL 75 N -3.11 5.29 -0.31 4.60 -7.23 -1.26 -5.05 120.40 113.33 1aoy s VAL 75 Ca -0.08 -0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 1aoy s VAL 75 Cb 0.01 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 1aoy s VAL 75 CO 0.28 0.13 1.72 -2.16 -0.31 0.00 0.00 175.10 174.76 1aoy s PRO 76 N -2.47 3.48 -0.25 4.82 0.04 -1.26 -4.95 135.00 134.40 1aoy s PRO 76 Ca 0.36 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1aoy s PRO 76 Cb -0.13 -4.14 0.12 0.00 0.04 0.00 0.00 34.50 30.39 1aoy s PRO 76 CO 0.25 -1.68 1.01 -0.08 0.04 0.00 0.00 177.00 176.53 1aoy s THR 77 N 6.31 0.00 -2.27 1.26 -1.32 -1.26 -5.23 115.64 113.13 1aoy s THR 77 Ca 0.76 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.54 1aoy s THR 77 Cb -0.22 -1.00 0.71 0.00 -1.51 0.00 0.00 72.50 70.48 1aoy s THR 77 CO 0.33 0.00 1.97 0.35 -2.21 0.00 0.00 174.62 175.05