#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 0.55 0.04 0.03 3.00 -1.26 -5.06 118.95 116.25 1aoy s ARG 2 Ca 0.00 1.31 -0.03 0.00 -1.00 0.00 0.00 55.73 56.02 1aoy s ARG 2 Cb 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 34.95 35.65 1aoy s ARG 2 CO 0.00 -0.18 -0.05 -1.13 0.00 0.00 0.00 175.30 173.94 1aoy n SER 3 N 5.20 1.07 -3.23 -2.12 3.41 -1.26 -4.99 113.62 111.69 1aoy n SER 3 Ca -0.13 0.15 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 1aoy n SER 3 Cb 0.51 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 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 -5.80 0.54 -0.55 4.04 0.01 -1.26 -5.04 113.70 105.63 1aoy s SER 4 Ca -0.04 -1.97 0.05 0.00 1.31 0.00 0.00 55.95 55.29 1aoy s SER 4 Cb 0.01 0.66 0.37 0.00 0.21 0.00 0.00 66.02 67.26 1aoy s SER 4 CO 0.07 -0.19 1.07 0.00 0.41 0.00 0.00 173.24 174.60 1aoy n ALA 5 N 3.60 4.93 0.94 1.44 0.00 -1.26 -4.72 120.51 125.44 1aoy n ALA 5 Ca 0.18 -4.55 0.10 0.00 0.00 0.00 0.00 53.44 49.16 1aoy n ALA 5 Cb 0.49 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.33 0.85 0.00 0.00 4.76 -1.26 -4.26 118.16 117.92 1aoy n LYS 6 Ca 0.35 -0.48 0.07 0.00 -2.87 0.00 0.00 58.31 55.39 1aoy n LYS 6 Cb 0.48 -1.44 0.05 0.00 -1.84 0.00 0.00 35.03 32.28 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 -0.76 1.14 0.00 1.97 -0.06 -1.26 -4.37 117.38 114.04 1aoy n GLN 7 Ca 0.06 -1.29 0.06 0.00 -2.00 0.00 0.00 57.00 53.83 1aoy n GLN 7 Cb 0.38 -1.27 0.34 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 0.70 0.24 0.07 3.69 1.02 -1.26 -2.12 120.64 122.98 1aoy n GLU 8 Ca 0.08 0.12 -0.22 0.00 -0.02 0.00 0.00 57.16 57.13 1aoy n GLU 8 Cb 0.36 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.00 0.36 0.00 3.49 5.08 -1.88 -2.60 114.58 119.03 1aoy h GLU 9 Ca 0.00 -0.61 -0.05 0.00 -1.00 0.00 0.00 59.36 57.70 1aoy h GLU 9 Cb 0.09 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1aoy h GLU 9 CO 0.00 1.29 -0.24 1.25 -1.00 0.00 0.00 179.01 180.32 1aoy h LEU 10 N -0.19 0.00 0.20 1.33 5.85 -1.73 -2.04 115.31 118.73 1aoy h LEU 10 Ca -0.22 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1aoy h LEU 10 Cb 1.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1aoy h LEU 10 CO 0.17 0.24 -0.10 0.58 -0.34 0.00 0.00 178.44 178.99 1aoy h VAL 11 N 0.00 0.00 -0.84 1.05 2.07 -1.59 -1.61 116.25 115.33 1aoy h VAL 11 Ca -0.00 -0.80 0.13 0.00 0.82 0.00 0.00 66.70 66.85 1aoy h VAL 11 Cb 0.65 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 1aoy h VAL 11 CO 0.03 0.00 0.44 0.07 0.02 0.00 0.00 177.57 178.13 1aoy h LYS 12 N -1.07 0.64 -0.19 1.57 5.09 -1.50 -0.78 116.57 120.33 1aoy h LYS 12 Ca -0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 60.65 60.67 1aoy h LYS 12 Cb 0.21 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 32.39 1aoy h LYS 12 CO 0.05 0.42 0.10 0.00 -2.09 0.00 0.00 179.45 177.93 1aoy h ALA 13 N 1.53 0.24 -0.01 0.07 0.00 -1.48 -1.88 119.26 117.73 1aoy h ALA 13 Ca 0.44 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1aoy h ALA 13 Cb 0.58 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1aoy h ALA 13 CO -0.33 -0.23 -0.31 0.35 0.00 0.00 0.00 179.25 178.73 1aoy h PHE 14 N 0.20 -0.84 -0.64 0.00 3.57 -0.14 0.32 116.94 119.41 1aoy h PHE 14 Ca 0.07 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1aoy h PHE 14 Cb 0.06 0.37 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1aoy h PHE 14 CO -0.04 -0.40 0.32 0.87 -2.23 0.00 0.00 178.31 176.83 1aoy h LYS 15 N -0.45 0.55 -0.07 1.11 1.79 -1.25 -2.52 116.57 115.73 1aoy h LYS 15 Ca 0.06 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1aoy h LYS 15 Cb 0.54 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1aoy h LYS 15 CO -0.26 0.37 0.03 0.00 -1.08 0.00 0.00 179.45 178.50 1aoy h ALA 16 N 1.37 0.09 -0.70 3.86 0.00 -0.84 -1.22 119.26 121.82 1aoy h ALA 16 Ca 0.30 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1aoy h ALA 16 Cb 0.27 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1aoy h ALA 16 CO -0.23 -0.33 0.29 -0.07 0.00 0.00 0.00 179.25 178.91 1aoy h LEU 17 N -0.04 0.30 0.07 0.00 3.38 -0.63 -1.26 115.31 117.13 1aoy h LEU 17 Ca 0.02 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1aoy h LEU 17 Cb 0.15 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1aoy h LEU 17 CO -0.00 0.15 -0.03 -0.07 0.09 0.00 0.00 178.44 178.57 1aoy h LEU 18 N 0.47 -0.08 -2.46 1.67 3.38 -1.38 -3.19 115.31 113.72 1aoy h LEU 18 Ca 0.36 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aoy h LEU 18 Cb 0.49 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1aoy h LEU 18 CO -0.34 0.34 0.00 0.11 0.09 0.00 0.00 178.44 178.63 1aoy h LYS 19 N -0.51 0.00 0.00 1.13 1.57 -0.78 -0.44 116.57 117.54 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 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1aoy h LYS 19 CO 0.02 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.83 1aoy h GLU 20 N 0.00 0.00 -5.19 3.15 5.08 -1.23 -3.47 114.58 112.92 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1aoy h GLU 20 CO 0.00 0.00 -0.11 0.39 -1.00 0.00 0.00 179.01 178.29 1aoy n GLU 21 N -2.52 -1.46 0.00 2.33 1.02 -0.17 -5.00 120.64 114.84 1aoy n GLU 21 Ca 0.04 1.57 0.00 0.00 -0.02 0.00 0.00 57.16 58.75 1aoy n GLU 21 Cb 0.38 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 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 -1.40 0.00 -2.96 3.49 4.81 -1.26 -4.92 118.16 115.93 1aoy n LYS 22 Ca 0.03 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.07 1aoy n LYS 22 Cb 0.48 -0.13 -0.05 0.00 0.02 0.00 0.00 35.03 35.35 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 -1.82 3.71 -0.08 5.64 0.08 -1.26 -4.92 117.98 119.33 1aoy s PHE 23 Ca 0.00 1.47 0.17 0.00 0.12 0.00 0.00 56.93 58.69 1aoy s PHE 23 Cb 0.00 -2.85 -0.25 0.00 -0.57 0.00 0.00 43.02 39.35 1aoy s PHE 23 CO 0.00 0.22 0.27 -1.13 -0.10 0.00 0.00 175.22 174.47 1aoy n SER 24 N 3.05 0.90 -4.33 1.36 3.41 -1.26 0.44 113.62 117.18 1aoy n SER 24 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.41 1aoy n SER 24 Cb 0.50 1.47 -0.10 0.00 -0.26 0.00 0.00 64.21 65.83 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 -4.44 2.52 0.09 4.04 1.04 -1.26 -4.62 113.70 111.07 1aoy s SER 25 Ca -0.07 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.08 1aoy s SER 25 Cb 0.09 -0.13 -0.15 0.00 0.10 0.00 0.00 66.02 65.93 1aoy s SER 25 CO 0.72 -0.15 1.65 1.56 0.98 0.00 0.00 173.24 177.99 1aoy h GLN 26 N 2.74 -0.63 -0.99 4.02 4.20 -1.95 -2.77 115.11 119.72 1aoy h GLN 26 Ca -0.39 0.04 0.28 0.00 0.06 0.00 0.00 58.65 58.65 1aoy h GLN 26 Cb 1.22 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 29.09 1aoy h GLN 26 CO 0.60 -0.42 0.71 0.78 -0.67 0.00 0.00 178.83 179.82 1aoy h GLY 27 N -0.65 0.16 0.88 3.46 0.00 -1.94 0.41 103.07 105.39 1aoy h GLY 27 Ca -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1aoy h GLY 27 CO 0.04 -0.01 -0.07 -2.09 0.00 0.00 0.00 176.54 174.40 1aoy h GLU 28 N 0.06 0.54 0.00 4.80 4.81 -1.91 -2.64 114.58 120.24 1aoy h GLU 28 Ca 0.48 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1aoy h GLU 28 Cb 1.82 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1aoy h GLU 28 CO -0.04 0.75 0.00 0.97 -0.73 0.00 0.00 179.01 179.96 1aoy h ILE 29 N 0.30 0.00 0.56 2.32 2.10 -0.94 -2.38 117.51 119.46 1aoy h ILE 29 Ca 0.07 -0.84 -0.03 0.00 1.08 0.00 0.00 64.86 65.14 1aoy h ILE 29 Cb 0.55 1.84 0.01 0.00 -1.09 0.00 0.00 36.82 38.13 1aoy h ILE 29 CO 0.03 0.00 -0.27 0.58 -1.08 0.00 0.00 178.15 177.41 1aoy h VAL 30 N 0.00 0.42 -0.64 2.19 2.07 -0.91 -2.23 116.25 117.16 1aoy h VAL 30 Ca 0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1aoy h VAL 30 Cb 0.85 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1aoy h VAL 30 CO 0.00 0.03 0.22 0.00 0.02 0.00 0.00 177.57 177.84 1aoy h ALA 31 N -0.48 1.18 -0.31 1.67 0.00 -1.49 -2.49 119.26 117.34 1aoy h ALA 31 Ca -0.08 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1aoy h ALA 31 Cb 0.62 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1aoy h ALA 31 CO 0.13 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.97 1aoy h ALA 32 N 1.31 0.30 -0.38 0.00 0.00 -1.31 -0.47 119.26 118.71 1aoy h ALA 32 Ca 0.21 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1aoy h ALA 32 Cb 0.24 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1aoy h ALA 32 CO -0.01 -0.39 -0.29 -0.07 0.00 0.00 0.00 179.25 178.49 1aoy h LEU 33 N 0.11 0.83 -2.00 0.00 3.38 -1.28 -0.96 115.31 115.39 1aoy h LEU 33 Ca 0.15 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1aoy h LEU 33 Cb 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1aoy h LEU 33 CO -0.24 1.07 -0.09 1.56 0.09 0.00 0.00 178.44 180.83 1aoy h GLN 34 N 0.69 0.00 0.03 1.13 4.20 -0.96 -1.03 115.11 119.17 1aoy h GLN 34 Ca 0.08 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.54 1aoy h GLN 34 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1aoy h GLN 34 CO 0.07 0.09 -1.24 0.93 -0.67 0.00 0.00 178.83 178.01 1aoy h GLU 35 N 0.00 0.07 0.62 1.46 5.08 -0.69 -3.37 114.58 117.75 1aoy h GLU 35 Ca -0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1aoy h GLU 35 Cb 0.19 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1aoy h GLU 35 CO 0.01 0.95 -0.30 1.96 -1.00 0.00 0.00 179.01 180.63 1aoy h GLN 36 N 0.02 -0.80 0.00 2.33 4.20 0.05 -3.47 115.11 117.44 1aoy h GLN 36 Ca -0.11 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1aoy h GLN 36 Cb 1.88 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.84 1aoy h GLN 36 CO 0.13 -0.49 0.00 0.41 -0.67 0.00 0.00 178.83 178.22 1aoy n GLY 37 N -0.93 0.00 3.44 3.46 0.00 -0.62 -5.10 105.19 105.44 1aoy n GLY 37 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 1.98 0.00 1.61 0.08 -0.81 -5.03 117.98 115.81 1aoy s PHE 38 Ca 0.00 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.33 1aoy s PHE 38 Cb 0.00 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.29 1aoy s PHE 38 CO 0.00 0.26 0.00 -3.47 -0.10 0.00 0.00 175.22 171.91 1aoy n ASP 39 N -0.61 0.00 -0.87 1.36 2.03 -1.26 -4.20 116.55 113.00 1aoy n ASP 39 Ca -0.05 -0.07 -0.05 0.00 0.52 0.00 0.00 54.79 55.14 1aoy n ASP 39 Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 1aoy n ASP 39 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1aoy n ASN 40 N -0.19 -1.81 -4.50 1.67 0.23 -1.26 -4.89 115.26 104.52 1aoy n ASN 40 Ca 0.00 0.12 -0.34 0.00 -0.53 0.00 0.00 54.58 53.83 1aoy n ASN 40 Cb 0.00 -1.78 -0.12 0.00 -2.08 0.00 0.00 39.78 35.80 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 -1.23 4.11 0.22 1.53 -1.09 -1.26 -4.92 121.20 118.55 1aoy s ILE 41 Ca 0.00 -0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.18 1aoy s ILE 41 Cb 0.00 -2.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1aoy s ILE 41 CO 0.00 0.45 0.23 -0.46 -1.23 0.00 0.00 174.94 173.94 1aoy n ASN 42 N 3.91 -0.62 -0.12 3.58 0.23 -1.26 -4.95 115.26 116.02 1aoy n ASN 42 Ca -0.17 -2.35 0.15 0.00 -0.53 0.00 0.00 54.58 51.68 1aoy n ASN 42 Cb 0.52 1.30 0.53 0.00 -2.08 0.00 0.00 39.78 40.05 1aoy n ASN 42 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1aoy h GLN 43 N 0.00 0.36 0.29 -3.83 4.15 -1.96 -1.98 115.11 112.14 1aoy h GLN 43 Ca -0.16 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 1aoy h GLN 43 Cb 0.77 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1aoy h GLN 43 CO 0.23 0.23 -0.14 0.66 -1.93 0.00 0.00 178.83 177.89 1aoy h SER 44 N 0.37 -0.33 -0.41 -0.69 4.64 -1.98 0.01 113.55 115.16 1aoy h SER 44 Ca 0.33 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1aoy h SER 44 Cb 0.79 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 1aoy h SER 44 CO -0.09 0.06 0.27 0.50 -0.87 0.00 0.00 176.83 176.70 1aoy h LYS 45 N -0.76 0.53 -0.03 4.77 3.64 -1.84 0.34 116.57 123.22 1aoy h LYS 45 Ca -0.04 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.05 1aoy h LYS 45 Cb 0.50 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1aoy h LYS 45 CO 0.06 0.35 -1.00 0.28 -2.27 0.00 0.00 179.45 176.88 1aoy h VAL 46 N 0.54 1.28 -0.27 2.00 2.07 -1.36 -1.57 116.25 118.95 1aoy h VAL 46 Ca 0.15 -2.20 -0.15 0.00 0.82 0.00 0.00 66.70 65.32 1aoy h VAL 46 Cb -0.04 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1aoy h VAL 46 CO -0.03 0.68 -0.46 -1.28 0.02 0.00 0.00 177.57 176.50 1aoy h SER 47 N 0.42 0.75 -0.45 0.57 0.87 -0.36 -1.17 113.55 114.19 1aoy h SER 47 Ca -0.12 -0.37 -0.11 0.00 -1.23 0.00 0.00 61.79 59.97 1aoy h SER 47 Cb 1.64 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 1aoy h SER 47 CO 0.20 1.10 -0.15 0.03 -0.53 0.00 0.00 176.83 177.47 1aoy h ARG 48 N 0.56 0.89 -0.24 2.24 3.08 -0.39 -2.21 114.38 118.31 1aoy h ARG 48 Ca 0.03 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 1aoy h ARG 48 Cb 1.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1aoy h ARG 48 CO 0.10 1.01 -0.26 0.52 -1.07 0.00 0.00 179.97 180.26 1aoy h MET 49 N 0.73 0.46 -0.61 0.04 2.86 -1.22 0.18 114.93 117.37 1aoy h MET 49 Ca 0.11 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1aoy h MET 49 Cb 0.71 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1aoy h MET 49 CO 0.05 0.69 0.31 -0.07 1.06 0.00 0.00 176.91 178.96 1aoy h LEU 50 N 0.41 0.78 -0.14 1.22 3.38 -0.99 0.18 115.31 120.14 1aoy h LEU 50 Ca 0.06 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1aoy h LEU 50 Cb 0.68 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1aoy h LEU 50 CO 0.05 0.67 -0.55 0.74 0.09 0.00 0.00 178.44 179.44 1aoy h THR 51 N 0.83 1.34 0.36 0.22 2.02 -1.18 -0.46 112.91 116.03 1aoy h THR 51 Ca 0.21 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 1aoy h THR 51 Cb 0.08 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1aoy h THR 51 CO -0.03 0.56 -0.17 0.50 0.37 0.00 0.00 175.52 176.75 1aoy h LYS 52 N 0.26 -0.46 0.00 6.66 3.11 -0.47 -2.97 116.57 122.70 1aoy h LYS 52 Ca -0.03 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1aoy h LYS 52 Cb 1.19 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 1aoy h LYS 52 CO 0.12 -0.27 -0.26 0.74 -2.81 0.00 0.00 179.45 176.97 1aoy h PHE 53 N -0.55 0.00 -2.99 1.91 0.04 -0.76 -3.48 116.94 111.11 1aoy h PHE 53 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1aoy h PHE 53 Cb 0.41 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.57 1aoy h PHE 53 CO -0.03 0.26 -0.02 0.41 -0.60 0.00 0.00 178.31 178.32 1aoy n GLY 54 N 0.36 0.83 3.82 -1.45 0.00 -0.37 -4.91 105.19 103.47 1aoy n GLY 54 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.01 2.94 -0.01 4.61 0.00 -0.33 -4.48 121.76 121.48 1aoy s ALA 55 Ca 0.01 0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1aoy s ALA 55 Cb -0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1aoy s ALA 55 CO 0.02 -0.37 -0.15 0.14 0.00 0.00 0.00 175.76 175.41 1aoy s VAL 56 N -2.43 1.18 0.14 0.00 -7.23 0.45 -4.95 120.40 107.55 1aoy s VAL 56 Ca 0.62 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.90 1aoy s VAL 56 Cb -0.12 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 35.76 1aoy s VAL 56 CO 0.29 0.33 0.78 -0.13 -0.31 0.00 0.00 175.10 176.07 1aoy s ARG 57 N -0.32 4.56 0.13 4.82 0.52 -1.26 0.07 118.95 127.46 1aoy s ARG 57 Ca 0.05 1.15 -0.14 0.00 -0.52 0.00 0.00 55.73 56.27 1aoy s ARG 57 Cb -0.06 -3.29 0.02 0.00 0.52 0.00 0.00 34.95 32.14 1aoy s ARG 57 CO -0.00 0.49 0.36 -0.08 0.02 0.00 0.00 175.30 176.09 1aoy s THR 58 N -0.85 0.08 -0.10 0.02 -1.32 0.79 -4.92 115.64 109.34 1aoy s THR 58 Ca 0.37 -0.78 -0.25 0.00 -1.21 0.00 0.00 61.69 59.82 1aoy s THR 58 Cb -0.23 -1.30 -0.03 0.00 -1.51 0.00 0.00 72.50 69.44 1aoy s THR 58 CO 0.26 -0.36 0.77 -0.13 -2.21 0.00 0.00 174.62 172.95 1aoy s ARG 59 N -3.84 4.39 0.08 7.08 0.52 -1.26 -0.18 118.95 125.74 1aoy s ARG 59 Ca 0.05 0.97 -0.01 0.00 -0.52 0.00 0.00 55.73 56.22 1aoy s ARG 59 Cb 0.02 -3.50 0.02 0.00 0.52 0.00 0.00 34.95 32.01 1aoy s ARG 59 CO -0.10 -0.09 0.11 0.27 0.02 0.00 0.00 175.30 175.51 1aoy n ASN 60 N 4.33 0.05 0.29 0.23 0.23 -0.50 -4.88 115.26 115.02 1aoy n ASN 60 Ca 0.01 -1.07 0.17 0.00 -0.53 0.00 0.00 54.58 53.17 1aoy n ASN 60 Cb 0.50 -0.08 0.90 0.00 -2.08 0.00 0.00 39.78 39.03 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 -1.40 1.19 -0.61 -2.53 0.00 -1.91 -1.82 119.26 112.18 1aoy h ALA 61 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1aoy h ALA 61 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1aoy h ALA 61 CO 0.03 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.97 1aoy n LYS 62 N -3.41 4.04 -1.62 0.00 4.01 -1.26 -4.93 118.16 114.99 1aoy n LYS 62 Ca -0.02 -2.88 -0.15 0.00 -0.51 0.00 0.00 58.31 54.75 1aoy n LYS 62 Cb 0.17 -2.01 -0.05 0.00 -0.51 0.00 0.00 35.03 32.64 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 0.95 -1.09 -3.61 1.97 2.81 -0.68 -5.00 117.12 112.48 1aoy n MET 63 Ca 0.26 0.97 -0.36 0.00 -1.81 0.00 0.00 57.70 56.75 1aoy n MET 63 Cb 0.97 -5.15 -0.07 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 -3.60 4.15 -0.54 0.03 0.41 -1.26 -4.80 118.70 113.09 1aoy s GLU 64 Ca 0.00 0.02 -0.28 0.00 -0.41 0.00 0.00 54.97 54.31 1aoy s GLU 64 Cb 0.00 -3.39 0.01 0.00 -1.78 0.00 0.00 34.13 28.96 1aoy s GLU 64 CO 0.00 0.32 1.51 -1.64 -0.49 0.00 0.00 175.26 174.96 1aoy s MET 65 N 0.23 3.23 0.33 1.61 -1.94 -1.26 -1.41 119.30 120.08 1aoy s MET 65 Ca 0.15 0.57 0.09 0.00 -1.71 0.00 0.00 55.69 54.79 1aoy s MET 65 Cb -0.13 -4.16 -0.06 0.00 2.01 0.00 0.00 34.83 32.49 1aoy s MET 65 CO 0.03 -2.02 -0.09 0.14 -0.01 0.00 0.00 175.02 173.07 1aoy s VAL 66 N 6.49 2.10 0.18 -6.03 -7.23 0.74 -4.57 120.40 112.10 1aoy s VAL 66 Ca 0.57 -2.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 1aoy s VAL 66 Cb -0.12 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 1aoy s VAL 66 CO 0.25 -0.23 1.00 -0.31 -0.31 0.00 0.00 175.10 175.50 1aoy s TYR 67 N -2.70 3.80 0.27 2.82 2.02 0.17 -0.15 117.35 123.57 1aoy s TYR 67 Ca 0.32 1.78 0.03 0.00 -0.37 0.00 0.00 57.07 58.83 1aoy s TYR 67 Cb 0.02 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1aoy s TYR 67 CO 0.15 0.03 0.20 0.00 -1.57 0.00 0.00 175.55 174.36 1aoy s LEU 69 N -3.27 1.90 0.74 0.00 2.96 -1.26 -0.41 118.68 119.34 1aoy s LEU 69 Ca 0.40 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 1aoy s LEU 69 Cb 0.05 -1.02 0.04 0.00 0.50 0.00 0.00 46.19 45.76 1aoy s LEU 69 CO 0.20 0.14 1.10 -2.16 -1.32 0.00 0.00 176.35 174.30 1aoy s PRO 70 N 0.15 2.39 -0.38 0.98 0.04 -1.26 -4.84 135.00 132.08 1aoy s PRO 70 Ca -0.07 1.22 -0.28 0.00 0.04 0.00 0.00 61.00 61.91 1aoy s PRO 70 Cb -0.13 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1aoy s PRO 70 CO 0.03 -1.54 1.70 0.00 0.04 0.00 0.00 177.00 177.23 1aoy s ALA 71 N -2.77 2.86 -0.65 8.56 0.00 -1.26 -4.09 121.76 124.42 1aoy s ALA 71 Ca 0.62 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 1aoy s ALA 71 Cb -0.18 -4.02 0.01 0.00 0.00 0.00 0.00 23.12 18.93 1aoy s ALA 71 CO 0.53 -2.67 0.65 0.39 0.00 0.00 0.00 175.76 174.66 1aoy n GLU 72 N 8.40 -1.70 -3.62 0.00 4.71 -1.26 -4.98 120.64 122.19 1aoy n GLU 72 Ca 0.21 1.54 -0.39 0.00 -0.01 0.00 0.00 57.16 58.50 1aoy n GLU 72 Cb 0.47 -4.85 -0.09 0.00 -1.01 0.00 0.00 31.44 25.97 1aoy n GLU 72 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1aoy s LEU 73 N -3.65 5.61 0.00 -4.62 2.96 -1.26 -4.72 118.68 113.00 1aoy s LEU 73 Ca 0.10 -2.24 0.00 0.00 -0.22 0.00 0.00 54.13 51.77 1aoy s LEU 73 Cb -0.02 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1aoy s LEU 73 CO 0.79 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.86 1aoy n GLY 74 N 4.41 0.58 1.91 7.98 0.00 -1.26 -4.96 105.19 113.85 1aoy n GLY 74 Ca -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 1aoy n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1aoy n VAL 75 N 0.00 -5.93 -2.21 1.61 0.31 -1.26 -4.95 118.33 105.91 1aoy n VAL 75 Ca 0.00 0.78 -0.43 0.00 -0.01 0.00 0.00 64.34 64.69 1aoy n VAL 75 Cb 0.00 -4.88 -0.02 0.00 -0.91 0.00 0.00 33.84 28.03 1aoy n VAL 75 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1aoy s PRO 76 N -0.69 4.08 0.00 5.55 0.02 -1.26 -4.93 135.00 137.77 1aoy s PRO 76 Ca -0.04 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1aoy s PRO 76 Cb 0.00 -3.91 0.00 0.00 0.02 0.00 0.00 34.50 30.61 1aoy s PRO 76 CO 0.28 -0.93 0.00 -2.37 -0.33 0.00 0.00 177.00 173.65 1aoy n THR 77 N 5.73 0.00 1.44 0.99 5.66 -1.26 -5.18 114.28 121.66 1aoy n THR 77 Ca 0.16 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.30 1aoy n THR 77 Cb 0.44 0.00 0.47 0.00 -1.55 0.00 0.00 70.33 69.70 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37