#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 2.19 0.27 3.17 1.81 -1.26 -4.92 118.95 120.21 1aoy s ARG 2 Ca 0.00 -3.00 0.15 0.00 -1.72 0.00 0.00 55.73 51.16 1aoy s ARG 2 Cb 0.00 -3.27 0.07 0.00 -0.45 0.00 0.00 34.95 31.30 1aoy s ARG 2 CO 0.00 -1.22 1.45 0.66 -0.68 0.00 0.00 175.30 175.50 1aoy h SER 3 N 5.84 0.00 -1.09 0.23 4.64 -2.13 -3.41 113.55 117.62 1aoy h SER 3 Ca 0.07 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.76 1aoy h SER 3 Cb 0.81 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.81 1aoy h SER 3 CO 0.69 0.53 1.69 -0.44 -0.87 0.00 0.00 176.83 178.43 1aoy s SER 4 N -6.48 6.61 0.00 4.97 0.01 -1.26 -4.75 113.70 112.81 1aoy s SER 4 Ca 0.04 -1.79 -0.08 0.00 1.31 0.00 0.00 55.95 55.43 1aoy s SER 4 Cb 0.08 -2.56 -0.30 0.00 0.21 0.00 0.00 66.02 63.44 1aoy s SER 4 CO 0.75 -1.38 0.87 0.00 0.41 0.00 0.00 173.24 173.89 1aoy h ALA 5 N 9.07 0.13 -1.56 1.44 0.00 -2.04 -3.48 119.26 122.81 1aoy h ALA 5 Ca 0.27 -1.04 -0.35 0.00 0.00 0.00 0.00 54.91 53.79 1aoy h ALA 5 Cb 0.97 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1aoy h ALA 5 CO 1.43 1.00 -0.38 1.17 0.00 0.00 0.00 179.25 182.47 1aoy n LYS 6 N -3.55 -1.28 0.11 0.00 4.81 -1.26 -4.88 118.16 112.10 1aoy n LYS 6 Ca -0.18 0.99 0.13 0.00 -0.87 0.00 0.00 58.31 58.38 1aoy n LYS 6 Cb 1.06 -5.33 0.30 0.00 0.02 0.00 0.00 35.03 31.08 1aoy n LYS 6 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1aoy h GLN 7 N 0.00 0.00 -1.36 1.64 5.75 -1.99 -3.32 115.11 115.83 1aoy h GLN 7 Ca -0.38 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 1aoy h GLN 7 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1aoy h GLN 7 CO 0.50 0.00 0.00 0.39 -2.65 0.00 0.00 178.83 177.07 1aoy n GLU 8 N -2.34 0.76 -0.06 1.69 1.02 -1.26 -2.57 120.64 117.88 1aoy n GLU 8 Ca 0.05 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 1aoy n GLU 8 Cb 0.45 -1.12 -0.08 0.00 -0.02 0.00 0.00 31.44 30.67 1aoy n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1aoy n GLU 9 N 0.78 1.84 -0.09 3.49 -0.58 -1.25 -4.51 120.64 120.32 1aoy n GLU 9 Ca 0.00 0.01 0.25 0.00 -0.42 0.00 0.00 57.16 57.00 1aoy n GLU 9 Cb 0.38 -1.28 0.71 0.00 -0.57 0.00 0.00 31.44 30.68 1aoy n GLU 9 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1aoy h LEU 10 N 0.00 0.00 -0.11 -4.62 5.85 -1.79 0.97 115.31 115.61 1aoy h LEU 10 Ca -0.30 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 1aoy h LEU 10 Cb 1.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1aoy h LEU 10 CO 0.00 0.00 -0.24 0.58 -0.34 0.00 0.00 178.44 178.44 1aoy h VAL 11 N 0.00 1.39 -0.70 1.05 2.07 -1.80 0.58 116.25 118.83 1aoy h VAL 11 Ca 0.34 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1aoy h VAL 11 Cb 1.39 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 1aoy h VAL 11 CO -0.00 0.45 0.46 0.11 0.02 0.00 0.00 177.57 178.61 1aoy h LYS 12 N -0.07 0.91 0.15 1.57 6.56 -1.11 -1.68 116.57 122.90 1aoy h LYS 12 Ca 0.00 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1aoy h LYS 12 Cb 0.84 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1aoy h LYS 12 CO 0.05 0.60 -0.07 0.00 -2.06 0.00 0.00 179.45 177.97 1aoy h ALA 13 N 1.26 -0.21 0.32 3.86 0.00 -1.14 -1.87 119.26 121.49 1aoy h ALA 13 Ca 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1aoy h ALA 13 Cb -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1aoy h ALA 13 CO -0.06 -0.55 -0.52 0.35 0.00 0.00 0.00 179.25 178.47 1aoy h PHE 14 N -0.34 -1.47 -0.66 0.00 3.57 -0.61 -0.23 116.94 117.20 1aoy h PHE 14 Ca -0.02 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1aoy h PHE 14 Cb 0.27 0.60 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 1aoy h PHE 14 CO -0.03 -0.64 0.29 0.87 -2.23 0.00 0.00 178.31 176.57 1aoy h LYS 15 N -0.89 0.48 -0.03 1.11 1.79 -1.38 -2.51 116.57 115.15 1aoy h LYS 15 Ca -0.03 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1aoy h LYS 15 Cb 0.82 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1aoy h LYS 15 CO -0.18 0.32 0.02 0.00 -1.08 0.00 0.00 179.45 178.53 1aoy h ALA 16 N 1.43 0.04 -0.66 3.86 0.00 -0.97 0.12 119.26 123.07 1aoy h ALA 16 Ca 0.33 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1aoy h ALA 16 Cb 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1aoy h ALA 16 CO -0.29 -0.43 0.25 -0.07 0.00 0.00 0.00 179.25 178.70 1aoy h LEU 17 N -0.03 0.23 0.31 0.00 3.38 -0.72 -1.56 115.31 116.92 1aoy h LEU 17 Ca 0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1aoy h LEU 17 Cb 0.06 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1aoy h LEU 17 CO -0.00 0.12 -0.15 -0.07 0.09 0.00 0.00 178.44 178.43 1aoy h LEU 18 N 0.41 -0.35 -2.29 1.67 3.38 -1.31 -3.24 115.31 113.58 1aoy h LEU 18 Ca 0.34 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1aoy h LEU 18 Cb 0.46 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1aoy h LEU 18 CO -0.34 0.08 0.22 0.11 0.09 0.00 0.00 178.44 178.60 1aoy h LYS 19 N -0.88 0.00 0.00 1.13 1.57 -0.77 0.94 116.57 118.56 1aoy h LYS 19 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1aoy h LYS 19 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1aoy h LYS 19 CO 0.07 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.88 1aoy h GLU 20 N 0.00 0.00 -4.65 3.15 5.08 -1.31 -3.45 114.58 113.39 1aoy h GLU 20 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1aoy h GLU 20 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1aoy h GLU 20 CO -0.00 0.00 -0.20 0.39 -1.00 0.00 0.00 179.01 178.20 1aoy n GLU 21 N -2.99 -1.37 0.15 2.33 1.02 0.33 -4.93 120.64 115.18 1aoy n GLU 21 Ca 0.01 1.46 0.00 0.00 -0.02 0.00 0.00 57.16 58.62 1aoy n GLU 21 Cb 0.34 -4.51 0.00 0.00 -0.02 0.00 0.00 31.44 27.25 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 -0.88 0.00 -2.24 3.49 4.81 -1.26 -4.64 118.16 117.44 1aoy n LYS 22 Ca 0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.07 1aoy n LYS 22 Cb 0.40 0.00 -0.03 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 -1.97 3.26 -0.09 5.64 0.08 -1.26 -4.81 117.98 118.83 1aoy s PHE 23 Ca 0.00 1.03 0.14 0.00 0.12 0.00 0.00 56.93 58.22 1aoy s PHE 23 Cb 0.00 -3.61 -0.23 0.00 -0.57 0.00 0.00 43.02 38.61 1aoy s PHE 23 CO 0.00 -2.10 0.52 -1.13 -0.10 0.00 0.00 175.22 172.42 1aoy n SER 24 N 4.09 0.65 -4.37 1.36 3.41 -1.26 0.46 113.62 117.96 1aoy n SER 24 Ca 0.11 0.31 -0.19 0.00 -0.26 0.00 0.00 58.87 58.84 1aoy n SER 24 Cb 0.43 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 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 -5.91 1.80 0.06 4.04 1.04 -1.26 -4.40 113.70 109.07 1aoy s SER 25 Ca -0.06 -1.39 -0.35 0.00 0.48 0.00 0.00 55.95 54.62 1aoy s SER 25 Cb 0.08 0.06 -0.20 0.00 0.10 0.00 0.00 66.02 66.05 1aoy s SER 25 CO 0.83 -0.68 1.56 1.56 0.98 0.00 0.00 173.24 177.48 1aoy h GLN 26 N 2.24 -1.14 -1.21 4.02 4.20 -1.96 -3.15 115.11 118.12 1aoy h GLN 26 Ca -0.39 0.08 0.35 0.00 0.06 0.00 0.00 58.65 58.75 1aoy h GLN 26 Cb 1.25 0.26 -0.10 0.00 0.30 0.00 0.00 27.48 29.19 1aoy h GLN 26 CO 0.65 -0.75 0.80 0.78 -0.67 0.00 0.00 178.83 179.64 1aoy h GLY 27 N -1.20 0.95 0.96 3.46 0.00 -1.97 0.41 103.07 105.67 1aoy h GLY 27 Ca -0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1aoy h GLY 27 CO 0.20 -0.19 -0.07 0.83 0.00 0.00 0.00 176.54 177.31 1aoy h GLU 28 N 0.20 0.73 0.00 4.80 5.08 -1.98 -2.46 114.58 120.95 1aoy h GLU 28 Ca 0.68 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 1aoy h GLU 28 Cb 2.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 1aoy h GLU 28 CO -0.27 0.86 -0.32 0.97 -1.00 0.00 0.00 179.01 179.26 1aoy h ILE 29 N 0.54 0.61 -0.24 3.13 2.10 -1.02 -2.52 117.51 120.11 1aoy h ILE 29 Ca 0.10 -1.60 -0.00 0.00 1.08 0.00 0.00 64.86 64.43 1aoy h ILE 29 Cb 0.58 2.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.40 1aoy h ILE 29 CO 0.03 0.31 0.14 0.58 -1.08 0.00 0.00 178.15 178.14 1aoy h VAL 30 N 0.00 1.10 -0.39 2.19 2.07 -0.94 -2.36 116.25 117.93 1aoy h VAL 30 Ca -0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1aoy h VAL 30 Cb 1.08 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1aoy h VAL 30 CO 0.04 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.70 1aoy h ALA 31 N 1.03 0.53 -0.50 1.67 0.00 -1.41 -3.16 119.26 117.43 1aoy h ALA 31 Ca 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1aoy h ALA 31 Cb 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1aoy h ALA 31 CO -0.02 0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.69 1aoy h ALA 32 N 0.86 0.58 0.00 0.00 0.00 -1.25 -1.05 119.26 118.40 1aoy h ALA 32 Ca 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1aoy h ALA 32 Cb 0.53 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1aoy h ALA 32 CO 0.03 -0.29 -0.23 -0.07 0.00 0.00 0.00 179.25 178.69 1aoy h LEU 33 N 0.26 0.00 -1.25 0.00 3.38 -1.46 -1.41 115.31 114.83 1aoy h LEU 33 Ca 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1aoy h LEU 33 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1aoy h LEU 33 CO -0.32 0.23 -0.18 1.56 0.09 0.00 0.00 178.44 179.82 1aoy h GLN 34 N 0.00 0.00 0.00 1.13 4.20 -1.16 -1.65 115.11 117.63 1aoy h GLN 34 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 1aoy h GLN 34 Cb 0.48 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1aoy h GLN 34 CO 0.03 0.18 -1.19 0.93 -0.67 0.00 0.00 178.83 178.11 1aoy h GLU 35 N 0.00 0.00 0.50 1.46 5.08 -0.95 -3.39 114.58 117.28 1aoy h GLU 35 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1aoy h GLU 35 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1aoy h GLU 35 CO 0.02 0.53 -0.24 1.96 -1.00 0.00 0.00 179.01 180.28 1aoy h GLN 36 N 0.00 -0.64 0.00 2.33 4.20 -0.79 -3.48 115.11 116.73 1aoy h GLN 36 Ca -0.12 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1aoy h GLN 36 Cb 1.68 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.60 1aoy h GLN 36 CO 0.08 -0.40 0.00 0.41 -0.67 0.00 0.00 178.83 178.25 1aoy n GLY 37 N -0.01 0.00 2.80 3.46 0.00 -0.73 -5.10 105.19 105.62 1aoy n GLY 37 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 1.59 -0.45 1.61 0.08 -0.70 -5.01 117.98 115.10 1aoy s PHE 38 Ca 0.00 -1.30 0.04 0.00 0.12 0.00 0.00 56.93 55.79 1aoy s PHE 38 Cb 0.00 -1.32 0.59 0.00 -0.57 0.00 0.00 43.02 41.71 1aoy s PHE 38 CO 0.00 -0.71 1.82 -0.25 -0.10 0.00 0.00 175.22 175.99 1aoy n ASP 39 N 4.89 4.28 -2.95 1.36 8.00 -1.26 -3.92 116.55 126.95 1aoy n ASP 39 Ca -0.09 -3.69 -0.14 0.00 0.71 0.00 0.00 54.79 51.59 1aoy n ASP 39 Cb 0.45 -0.81 0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1aoy n ASP 39 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1aoy n ASN 40 N -1.09 -0.99 -3.80 -2.24 0.23 -1.26 -5.12 115.26 100.99 1aoy n ASN 40 Ca 0.55 -3.31 -0.13 0.00 -0.53 0.00 0.00 54.58 51.16 1aoy n ASN 40 Cb 1.33 0.74 -0.12 0.00 -2.08 0.00 0.00 39.78 39.65 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1aoy s ILE 41 N -0.82 -0.00 0.29 1.53 -1.09 -1.26 -5.11 121.20 114.73 1aoy s ILE 41 Ca 0.31 0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 1aoy s ILE 41 Cb 0.30 -0.26 -0.03 0.00 -1.58 0.00 0.00 42.46 40.89 1aoy s ILE 41 CO -0.09 0.01 0.29 0.54 -1.23 0.00 0.00 174.94 174.45 1aoy s ASN 42 N 0.20 0.94 0.36 3.58 4.22 -1.26 -5.02 114.94 117.95 1aoy s ASN 42 Ca -0.01 -1.54 0.06 0.00 -2.14 0.00 0.00 52.86 49.24 1aoy s ASN 42 Cb -0.02 0.53 0.75 0.00 1.28 0.00 0.00 41.25 43.78 1aoy s ASN 42 CO -0.00 -1.05 1.93 -0.61 -2.04 0.00 0.00 177.10 175.33 1aoy h GLN 43 N 2.29 0.73 -0.33 3.55 4.15 -1.97 -2.01 115.11 121.52 1aoy h GLN 43 Ca -0.29 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.05 1aoy h GLN 43 Cb 1.24 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1aoy h GLN 43 CO 0.42 0.49 0.06 0.77 -1.93 0.00 0.00 178.83 178.64 1aoy h SER 44 N 0.76 0.52 0.12 -0.69 0.02 -1.99 0.32 113.55 112.61 1aoy h SER 44 Ca 0.36 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1aoy h SER 44 Cb 0.39 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1aoy h SER 44 CO -0.13 0.64 -0.25 0.50 -1.14 0.00 0.00 176.83 176.45 1aoy h LYS 45 N 0.38 0.23 -0.06 3.45 3.64 -1.86 -1.10 116.57 121.24 1aoy h LYS 45 Ca 0.10 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1aoy h LYS 45 Cb 0.34 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1aoy h LYS 45 CO 0.00 0.47 -0.57 0.28 -2.27 0.00 0.00 179.45 177.36 1aoy h VAL 46 N 0.21 1.38 -0.31 2.00 2.07 -1.11 -0.52 116.25 119.96 1aoy h VAL 46 Ca 0.03 -1.94 -0.11 0.00 0.82 0.00 0.00 66.70 65.51 1aoy h VAL 46 Cb 0.56 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1aoy h VAL 46 CO 0.04 0.58 -0.25 0.77 0.02 0.00 0.00 177.57 178.73 1aoy h SER 47 N 0.06 0.63 -0.26 0.57 4.64 -0.85 -0.01 113.55 118.32 1aoy h SER 47 Ca -0.05 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1aoy h SER 47 Cb 1.24 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1aoy h SER 47 CO 0.12 0.86 -0.16 0.03 -0.87 0.00 0.00 176.83 176.80 1aoy h ARG 48 N 0.54 0.58 -0.44 4.77 2.47 -1.23 -2.65 114.38 118.41 1aoy h ARG 48 Ca 0.08 -0.27 -0.06 0.00 -1.26 0.00 0.00 59.98 58.47 1aoy h ARG 48 Cb 0.71 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 1aoy h ARG 48 CO 0.05 0.84 0.02 0.52 0.56 0.00 0.00 179.97 181.97 1aoy h MET 49 N 0.30 0.71 -0.25 0.04 2.86 -0.93 0.24 114.93 117.90 1aoy h MET 49 Ca 0.05 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1aoy h MET 49 Cb 0.69 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1aoy h MET 49 CO 0.05 0.71 0.16 -0.07 1.06 0.00 0.00 176.91 178.82 1aoy h LEU 50 N 0.67 0.26 -0.19 1.22 3.38 -0.90 0.15 115.31 119.90 1aoy h LEU 50 Ca 0.14 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1aoy h LEU 50 Cb 0.39 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1aoy h LEU 50 CO 0.01 0.19 -0.93 0.74 0.09 0.00 0.00 178.44 178.54 1aoy h THR 51 N 0.32 1.43 0.01 0.22 2.02 -1.27 0.15 112.91 115.79 1aoy h THR 51 Ca 0.09 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.77 1aoy h THR 51 Cb -0.02 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1aoy h THR 51 CO -0.03 0.74 -0.01 0.50 0.37 0.00 0.00 175.52 177.10 1aoy h LYS 52 N 0.20 -0.01 0.00 6.66 3.11 -0.35 -3.14 116.57 123.03 1aoy h LYS 52 Ca -0.07 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.63 1aoy h LYS 52 Cb 1.57 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.78 1aoy h LYS 52 CO 0.16 0.21 -0.64 0.74 -2.81 0.00 0.00 179.45 177.10 1aoy h PHE 53 N -0.24 0.00 -1.39 1.91 0.04 -0.79 -3.49 116.94 112.98 1aoy h PHE 53 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1aoy h PHE 53 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1aoy h PHE 53 CO 0.00 0.64 0.00 0.41 -0.60 0.00 0.00 178.31 178.76 1aoy n GLY 54 N 0.53 0.75 3.78 -1.45 0.00 -0.58 -4.78 105.19 103.44 1aoy n GLY 54 Ca -0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.35 3.19 -0.03 4.61 0.00 -0.06 -4.41 121.76 122.71 1aoy s ALA 55 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1aoy s ALA 55 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1aoy s ALA 55 CO 0.00 0.06 -0.16 0.14 0.00 0.00 0.00 175.76 175.80 1aoy s VAL 56 N -1.59 1.30 -0.05 0.00 -7.23 0.59 -4.94 120.40 108.48 1aoy s VAL 56 Ca 0.52 -0.67 -0.21 0.00 -1.81 0.00 0.00 61.98 59.81 1aoy s VAL 56 Cb -0.20 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1aoy s VAL 56 CO 0.26 0.38 0.62 -0.13 -0.31 0.00 0.00 175.10 175.91 1aoy s ARG 57 N -0.09 4.38 0.36 4.82 0.52 -1.26 -0.07 118.95 127.62 1aoy s ARG 57 Ca -0.00 0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 55.80 1aoy s ARG 57 Cb -0.09 -3.41 0.04 0.00 0.52 0.00 0.00 34.95 32.01 1aoy s ARG 57 CO 0.01 0.19 0.74 -0.08 0.02 0.00 0.00 175.30 176.18 1aoy s THR 58 N 0.41 0.00 0.26 0.02 -1.32 0.33 -4.91 115.64 110.43 1aoy s THR 58 Ca 0.33 -1.07 -0.30 0.00 -1.21 0.00 0.00 61.69 59.45 1aoy s THR 58 Cb -0.17 -2.72 -0.09 0.00 -1.51 0.00 0.00 72.50 68.00 1aoy s THR 58 CO 0.16 0.00 1.14 -0.13 -2.21 0.00 0.00 174.62 173.58 1aoy s ARG 59 N -2.64 4.58 0.00 7.08 0.52 -1.25 -0.75 118.95 126.49 1aoy s ARG 59 Ca 0.16 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.22 1aoy s ARG 59 Cb -0.05 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1aoy s ARG 59 CO 0.12 0.11 0.00 0.27 0.02 0.00 0.00 175.30 175.81 1aoy n ASN 60 N 1.50 0.50 0.20 0.23 6.94 -0.67 -4.89 115.26 119.07 1aoy n ASN 60 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 54.58 54.63 1aoy n ASN 60 Cb 0.45 0.00 0.59 0.00 -2.36 0.00 0.00 39.78 38.45 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 -0.43 1.93 -0.46 -2.53 0.00 -1.90 -2.21 119.26 113.66 1aoy h ALA 61 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1aoy h ALA 61 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 1aoy h ALA 61 CO 0.00 0.06 0.09 1.63 0.00 0.00 0.00 179.25 181.03 1aoy n LYS 62 N -4.52 2.52 -1.28 0.00 5.02 -1.26 -4.95 118.16 113.68 1aoy n LYS 62 Ca -0.02 -3.05 -0.10 0.00 -2.02 0.00 0.00 58.31 53.13 1aoy n LYS 62 Cb 0.08 -1.93 -0.04 0.00 -0.02 0.00 0.00 35.03 33.12 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 -0.79 -1.16 -2.84 1.97 2.81 -0.83 -4.98 117.12 111.30 1aoy n MET 63 Ca 0.34 0.79 -0.41 0.00 -1.81 0.00 0.00 57.70 56.62 1aoy n MET 63 Cb 1.13 -4.89 -0.04 0.00 -0.71 0.00 0.00 33.22 28.70 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 -2.62 4.58 -1.25 0.03 2.02 -1.26 -4.66 118.70 115.53 1aoy s GLU 64 Ca 0.00 1.26 -0.19 0.00 0.02 0.00 0.00 54.97 56.05 1aoy s GLU 64 Cb 0.00 -3.39 0.04 0.00 0.10 0.00 0.00 34.13 30.88 1aoy s GLU 64 CO 0.00 0.18 1.75 -1.64 0.02 0.00 0.00 175.26 175.56 1aoy s MET 65 N 0.23 3.73 0.41 1.61 -1.94 -1.26 -1.67 119.30 120.41 1aoy s MET 65 Ca 0.44 -1.79 0.08 0.00 -1.71 0.00 0.00 55.69 52.71 1aoy s MET 65 Cb -0.21 -5.48 -0.02 0.00 2.01 0.00 0.00 34.83 31.12 1aoy s MET 65 CO 0.26 -2.51 0.35 0.14 -0.01 0.00 0.00 175.02 173.25 1aoy s VAL 66 N 5.33 2.71 0.18 -6.03 -7.23 0.07 -4.71 120.40 110.71 1aoy s VAL 66 Ca 0.56 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 1aoy s VAL 66 Cb 0.03 -3.01 -0.08 0.00 0.56 0.00 0.00 36.38 33.87 1aoy s VAL 66 CO 0.07 -0.02 1.27 -0.31 -0.31 0.00 0.00 175.10 175.80 1aoy s TYR 67 N -2.47 3.33 0.08 2.82 2.02 0.17 -0.51 117.35 122.79 1aoy s TYR 67 Ca 0.47 1.29 0.00 0.00 -0.37 0.00 0.00 57.07 58.46 1aoy s TYR 67 Cb -0.03 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 1aoy s TYR 67 CO 0.27 -1.63 -0.03 0.00 -1.57 0.00 0.00 175.55 172.59 1aoy s LEU 69 N -2.99 2.76 0.00 0.00 1.98 -1.25 -0.30 118.68 118.88 1aoy s LEU 69 Ca 0.11 -0.40 0.00 0.00 -2.89 0.00 0.00 54.13 50.96 1aoy s LEU 69 Cb 0.07 -1.61 0.00 0.00 0.66 0.00 0.00 46.19 45.31 1aoy s LEU 69 CO -0.06 0.24 0.00 -2.65 -1.89 0.00 0.00 176.35 171.99 1aoy n PRO 70 N 1.34 -0.24 0.00 0.98 -0.02 -1.26 -4.66 135.00 131.14 1aoy n PRO 70 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 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 -1.82 3.55 0.00 -1.26 -4.84 120.51 113.14 1aoy n ALA 71 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1aoy n ALA 71 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1aoy n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1aoy s GLU 72 N 0.00 2.31 -0.28 0.00 2.02 -1.26 -4.88 118.70 116.62 1aoy s GLU 72 Ca 0.00 0.73 -0.18 0.00 0.02 0.00 0.00 54.97 55.55 1aoy s GLU 72 Cb 0.00 -4.60 0.09 0.00 0.10 0.00 0.00 34.13 29.72 1aoy s GLU 72 CO 0.00 -3.21 0.75 -1.17 0.02 0.00 0.00 175.26 171.65 1aoy s LEU 73 N 10.96 -0.83 0.00 1.80 2.96 -1.26 -4.98 118.68 127.33 1aoy s LEU 73 Ca 0.81 1.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 1aoy s LEU 73 Cb -0.13 2.28 0.00 0.00 0.50 0.00 0.00 46.19 48.84 1aoy s LEU 73 CO 0.18 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 1aoy n GLY 74 N 3.90 0.92 2.76 7.98 0.00 -1.26 -5.00 105.19 114.49 1aoy n GLY 74 Ca -0.19 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 1aoy n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoy s VAL 75 N -2.57 -0.16 -0.41 1.61 1.01 -1.26 -5.06 120.40 113.57 1aoy s VAL 75 Ca 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1aoy s VAL 75 Cb 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 36.38 36.02 1aoy s VAL 75 CO 0.00 0.15 3.29 -0.81 0.00 0.00 0.00 175.10 177.73 1aoy n PRO 76 N 5.15 2.48 -2.67 2.72 -0.04 -1.26 -3.92 135.00 137.46 1aoy n PRO 76 Ca -0.07 -1.59 -0.04 0.00 -0.04 0.00 0.00 63.50 61.76 1aoy n PRO 76 Cb 0.50 -2.18 0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1aoy n PRO 76 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1aoy n THR 77 N 2.28 0.00 -1.81 0.52 5.66 -1.26 -5.31 114.28 114.36 1aoy n THR 77 Ca 0.51 -0.79 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1aoy n THR 77 Cb 0.70 0.88 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37