#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 0.88 -0.07 0.03 1.85 -1.26 -4.95 116.66 113.14 1aoy n ARG 2 Ca 0.00 -3.58 -0.12 0.00 -1.00 0.00 0.00 57.85 53.14 1aoy n ARG 2 Cb 0.00 -1.72 -0.06 0.00 -1.05 0.00 0.00 32.46 29.64 1aoy n ARG 2 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1aoy h SER 3 N 4.98 0.42 -3.18 2.89 0.02 -2.13 -3.45 113.55 113.10 1aoy h SER 3 Ca 0.19 -0.41 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 1aoy h SER 3 Cb 0.85 -0.12 -0.25 0.00 0.14 0.00 0.00 62.40 63.02 1aoy h SER 3 CO 0.51 0.74 -0.23 -0.44 -1.14 0.00 0.00 176.83 176.26 1aoy s SER 4 N -6.07 -0.61 -0.44 3.07 0.01 -1.26 -5.09 113.70 103.31 1aoy s SER 4 Ca -0.14 1.02 0.08 0.00 1.31 0.00 0.00 55.95 58.22 1aoy s SER 4 Cb 0.06 0.90 0.27 0.00 0.21 0.00 0.00 66.02 67.46 1aoy s SER 4 CO 0.75 -0.20 0.62 0.00 0.41 0.00 0.00 173.24 174.82 1aoy n ALA 5 N 4.28 2.77 -2.58 1.44 0.00 -1.26 -5.10 120.51 120.06 1aoy n ALA 5 Ca -0.23 -3.72 -0.29 0.00 0.00 0.00 0.00 53.44 49.21 1aoy n ALA 5 Cb 0.56 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.75 2.10 -0.07 0.00 1.02 -1.26 -5.02 119.74 114.76 1aoy s LYS 6 Ca 0.37 -1.10 0.02 0.00 0.02 0.00 0.00 55.97 55.29 1aoy s LYS 6 Cb 0.20 -2.26 0.15 0.00 -0.52 0.00 0.00 37.83 35.40 1aoy s LYS 6 CO -0.09 0.49 0.98 1.04 -0.92 0.00 0.00 175.35 176.85 1aoy n GLN 7 N 0.50 1.49 0.00 1.68 6.02 -1.26 -3.87 117.38 121.94 1aoy n GLN 7 Ca -0.13 -0.60 0.12 0.00 -0.01 0.00 0.00 57.00 56.37 1aoy n GLN 7 Cb 0.53 -1.42 0.69 0.00 1.02 0.00 0.00 30.24 31.06 1aoy n GLN 7 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1aoy n GLU 8 N 0.15 0.74 0.03 -1.09 1.02 -1.26 -2.52 120.64 117.70 1aoy n GLU 8 Ca 0.09 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 1aoy n GLU 8 Cb 0.60 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.64 0.00 3.49 5.08 -2.01 -2.19 114.58 119.59 1aoy h GLU 9 Ca 0.00 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 1aoy h GLU 9 Cb 0.00 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1aoy h GLU 9 CO 0.00 1.21 -0.10 1.25 -1.00 0.00 0.00 179.01 180.37 1aoy h LEU 10 N 0.40 0.00 0.00 1.33 5.85 -1.83 -2.06 115.31 119.00 1aoy h LEU 10 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1aoy h LEU 10 Cb 1.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1aoy h LEU 10 CO 0.17 0.10 -0.01 0.58 -0.34 0.00 0.00 178.44 178.95 1aoy h VAL 11 N 0.00 0.00 -0.76 1.05 2.07 -1.63 -2.90 116.25 114.08 1aoy h VAL 11 Ca -0.00 -0.66 0.15 0.00 0.82 0.00 0.00 66.70 67.02 1aoy h VAL 11 Cb 0.45 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 1aoy h VAL 11 CO 0.01 0.00 0.27 0.07 0.02 0.00 0.00 177.57 177.94 1aoy h LYS 12 N -0.66 0.37 -0.68 1.57 5.09 -1.45 0.16 116.57 120.97 1aoy h LYS 12 Ca 0.00 -0.02 0.03 0.00 0.09 0.00 0.00 60.65 60.75 1aoy h LYS 12 Cb 0.01 -0.08 -0.05 0.00 0.10 0.00 0.00 32.23 32.21 1aoy h LYS 12 CO 0.00 0.25 0.42 0.00 -2.09 0.00 0.00 179.45 178.02 1aoy h ALA 13 N 1.58 0.89 -0.11 0.07 0.00 -1.54 -2.11 119.26 118.04 1aoy h ALA 13 Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1aoy h ALA 13 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1aoy h ALA 13 CO -0.45 0.17 0.02 0.35 0.00 0.00 0.00 179.25 179.34 1aoy h PHE 14 N 0.80 0.04 -0.13 0.00 3.57 -0.52 -2.09 116.94 118.61 1aoy h PHE 14 Ca 0.28 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1aoy h PHE 14 Cb 0.05 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1aoy h PHE 14 CO -0.05 0.01 -0.05 0.87 -2.23 0.00 0.00 178.31 176.86 1aoy h LYS 15 N 0.07 -0.03 -0.09 1.11 1.79 -0.92 -2.61 116.57 115.88 1aoy h LYS 15 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1aoy h LYS 15 Cb 0.04 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1aoy h LYS 15 CO -0.06 -0.02 0.05 0.00 -1.08 0.00 0.00 179.45 178.33 1aoy h ALA 16 N 1.10 0.11 -0.86 3.86 0.00 -1.26 0.15 119.26 122.37 1aoy h ALA 16 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1aoy h ALA 16 Cb 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1aoy h ALA 16 CO -0.16 -0.41 0.48 -0.07 0.00 0.00 0.00 179.25 179.10 1aoy h LEU 17 N 0.10 0.67 0.26 0.00 3.38 -1.28 -1.57 115.31 116.87 1aoy h LEU 17 Ca 0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1aoy h LEU 17 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1aoy h LEU 17 CO -0.02 0.35 -0.12 -0.07 0.09 0.00 0.00 178.44 178.66 1aoy h LEU 18 N 0.77 -0.29 -2.19 1.67 3.38 -1.21 -3.32 115.31 114.12 1aoy h LEU 18 Ca 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1aoy h LEU 18 Cb 0.47 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1aoy h LEU 18 CO -0.28 0.20 0.17 0.11 0.09 0.00 0.00 178.44 178.72 1aoy h LYS 19 N -1.03 0.00 0.00 1.13 1.57 -0.59 0.69 116.57 118.34 1aoy h LYS 19 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1aoy h LYS 19 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1aoy h LYS 19 CO 0.06 0.00 -0.08 0.93 -0.57 0.00 0.00 179.45 179.78 1aoy h GLU 20 N 0.00 0.00 -4.37 3.15 5.08 -1.38 -3.46 114.58 113.61 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 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1aoy h GLU 20 CO 0.00 0.08 -0.26 0.39 -1.00 0.00 0.00 179.01 178.23 1aoy n GLU 21 N -3.15 -1.34 0.08 2.33 1.02 0.24 -5.02 120.64 114.79 1aoy n GLU 21 Ca 0.02 1.42 0.00 0.00 -0.02 0.00 0.00 57.16 58.58 1aoy n GLU 21 Cb 0.47 -4.00 0.00 0.00 -0.02 0.00 0.00 31.44 27.88 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 -0.53 0.00 -2.70 3.49 3.00 -1.26 -4.84 118.16 115.33 1aoy n LYS 22 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.96 1aoy n LYS 22 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.29 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1aoy s PHE 23 N -2.00 3.76 -0.10 5.64 0.08 -1.26 -4.87 117.98 119.22 1aoy s PHE 23 Ca 0.00 1.75 0.11 0.00 0.12 0.00 0.00 56.93 58.91 1aoy s PHE 23 Cb 0.00 -3.10 -0.24 0.00 -0.57 0.00 0.00 43.02 39.12 1aoy s PHE 23 CO 0.00 0.06 0.45 0.43 -0.10 0.00 0.00 175.22 176.06 1aoy n SER 24 N 2.95 0.87 -4.31 1.36 7.64 -1.26 0.23 113.62 121.09 1aoy n SER 24 Ca 0.03 0.27 -0.16 0.00 1.01 0.00 0.00 58.87 60.02 1aoy n SER 24 Cb 0.49 0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 1aoy n SER 24 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1aoy s SER 25 N -6.08 1.40 0.10 6.43 1.04 -1.26 -4.30 113.70 111.03 1aoy s SER 25 Ca -0.09 -1.31 -0.27 0.00 0.48 0.00 0.00 55.95 54.76 1aoy s SER 25 Cb 0.07 0.11 -0.11 0.00 0.10 0.00 0.00 66.02 66.19 1aoy s SER 25 CO 0.81 -0.65 1.66 1.56 0.98 0.00 0.00 173.24 177.60 1aoy h GLN 26 N 2.45 -0.43 -1.02 4.02 7.50 -1.96 -2.94 115.11 122.72 1aoy h GLN 26 Ca -0.38 0.03 0.32 0.00 0.50 0.00 0.00 58.65 59.11 1aoy h GLN 26 Cb 1.23 0.10 -0.14 0.00 0.05 0.00 0.00 27.48 28.72 1aoy h GLN 26 CO 0.63 -0.29 0.60 0.78 -1.50 0.00 0.00 178.83 179.05 1aoy h GLY 27 N -0.45 1.95 0.91 3.46 0.00 -1.97 0.17 103.07 107.15 1aoy h GLY 27 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1aoy h GLY 27 CO -0.08 -0.43 0.05 0.83 0.00 0.00 0.00 176.54 176.91 1aoy h GLU 28 N 0.35 0.56 0.00 4.80 5.08 -1.95 -2.60 114.58 120.82 1aoy h GLU 28 Ca 0.72 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.91 1aoy h GLU 28 Cb 1.66 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 1aoy h GLU 28 CO -0.56 0.65 -0.08 0.97 -1.00 0.00 0.00 179.01 178.98 1aoy h ILE 29 N 0.39 0.17 0.05 3.13 2.10 -1.04 -2.27 117.51 120.04 1aoy h ILE 29 Ca 0.10 -0.96 -0.00 0.00 1.08 0.00 0.00 64.86 65.08 1aoy h ILE 29 Cb 0.36 1.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1aoy h ILE 29 CO 0.01 0.08 -0.02 0.58 -1.08 0.00 0.00 178.15 177.71 1aoy h VAL 30 N 0.00 1.11 -0.36 2.19 2.07 -0.89 -2.13 116.25 118.24 1aoy h VAL 30 Ca -0.00 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1aoy h VAL 30 Cb 0.83 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1aoy h VAL 30 CO 0.01 0.13 -0.04 0.00 0.02 0.00 0.00 177.57 177.69 1aoy h ALA 31 N 0.63 1.25 -0.31 1.67 0.00 -1.42 -2.53 119.26 118.55 1aoy h ALA 31 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1aoy h ALA 31 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1aoy h ALA 31 CO 0.01 0.50 0.20 0.00 0.00 0.00 0.00 179.25 179.95 1aoy h ALA 32 N 1.40 0.39 -0.15 0.00 0.00 -1.24 -1.96 119.26 117.71 1aoy h ALA 32 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1aoy h ALA 32 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1aoy h ALA 32 CO 0.02 -0.13 -0.41 -0.07 0.00 0.00 0.00 179.25 178.66 1aoy h LEU 33 N 0.41 0.35 -1.08 0.00 3.38 -1.27 -1.50 115.31 115.60 1aoy h LEU 33 Ca 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1aoy h LEU 33 Cb -0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1aoy h LEU 33 CO -0.02 0.73 0.48 1.56 0.09 0.00 0.00 178.44 181.27 1aoy h GLN 34 N 0.28 1.11 -0.04 1.13 4.20 -1.14 -1.10 115.11 119.55 1aoy h GLN 34 Ca 0.02 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 1aoy h GLN 34 Cb 0.85 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1aoy h GLN 34 CO 0.07 0.79 -0.66 0.93 -0.67 0.00 0.00 178.83 179.29 1aoy h GLU 35 N 1.13 0.18 0.52 1.46 4.39 -1.08 -3.30 114.58 117.88 1aoy h GLU 35 Ca 0.29 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1aoy h GLU 35 Cb -0.03 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1aoy h GLU 35 CO -0.05 0.78 -0.25 1.96 -1.16 0.00 0.00 179.01 180.28 1aoy h GLN 36 N 0.13 -0.68 0.00 2.33 1.08 -0.39 -3.47 115.11 114.11 1aoy h GLN 36 Ca -0.01 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1aoy h GLN 36 Cb 1.19 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1aoy h GLN 36 CO 0.10 -0.38 0.00 0.41 -0.95 0.00 0.00 178.83 178.01 1aoy n GLY 37 N -0.79 0.00 2.95 3.46 0.00 -0.50 -5.10 105.19 105.21 1aoy n GLY 37 Ca -0.11 0.00 -0.30 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 2.27 -1.83 1.61 0.08 -0.86 -4.98 117.98 114.27 1aoy s PHE 38 Ca 0.00 -1.56 0.24 0.00 0.12 0.00 0.00 56.93 55.73 1aoy s PHE 38 Cb 0.00 -1.55 0.37 0.00 -0.57 0.00 0.00 43.02 41.27 1aoy s PHE 38 CO 0.00 -0.73 1.32 -3.47 -0.10 0.00 0.00 175.22 172.24 1aoy n ASP 39 N 4.72 1.45 -3.37 1.36 2.03 -1.26 -4.05 116.55 117.43 1aoy n ASP 39 Ca -0.13 -1.15 -0.35 0.00 0.52 0.00 0.00 54.79 53.68 1aoy n ASP 39 Cb 0.46 0.33 -0.01 0.00 -0.72 0.00 0.00 41.12 41.17 1aoy n ASP 39 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1aoy n ASN 40 N -0.43 5.91 -3.95 1.67 2.85 -1.26 -5.00 115.26 115.04 1aoy n ASN 40 Ca 0.10 -3.65 -0.10 0.00 -0.11 0.00 0.00 54.58 50.82 1aoy n ASN 40 Cb 0.40 -0.90 -0.11 0.00 1.24 0.00 0.00 39.78 40.41 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1aoy s ILE 41 N -4.16 0.09 0.30 -1.44 -1.09 -1.26 -5.09 121.20 108.55 1aoy s ILE 41 Ca 0.42 -0.74 -0.17 0.00 -2.23 0.00 0.00 60.65 57.93 1aoy s ILE 41 Cb 0.21 -0.24 0.02 0.00 -1.58 0.00 0.00 42.46 40.87 1aoy s ILE 41 CO -0.11 -0.41 0.68 0.54 -1.23 0.00 0.00 174.94 174.41 1aoy s ASN 42 N -1.22 -0.09 0.20 3.58 2.20 -1.26 -5.03 114.94 113.32 1aoy s ASN 42 Ca -0.13 -0.86 -0.10 0.00 -0.94 0.00 0.00 52.86 50.83 1aoy s ASN 42 Cb -0.08 0.73 0.20 0.00 -2.00 0.00 0.00 41.25 40.10 1aoy s ASN 42 CO -0.01 -1.39 1.81 -0.61 -2.94 0.00 0.00 177.10 173.97 1aoy h GLN 43 N 2.06 0.67 -0.45 3.55 4.15 -1.97 -1.48 115.11 121.63 1aoy h GLN 43 Ca -0.24 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.13 1aoy h GLN 43 Cb 1.25 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 1aoy h GLN 43 CO 0.31 0.44 0.24 0.77 -1.93 0.00 0.00 178.83 178.66 1aoy h SER 44 N 0.69 0.57 -0.63 -0.69 0.02 -1.98 0.81 113.55 112.33 1aoy h SER 44 Ca 0.28 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1aoy h SER 44 Cb 0.13 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1aoy h SER 44 CO -0.15 0.50 0.33 0.50 -1.14 0.00 0.00 176.83 176.88 1aoy h LYS 45 N 0.59 0.92 -0.08 3.45 3.64 -1.88 0.17 116.57 123.39 1aoy h LYS 45 Ca 0.16 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1aoy h LYS 45 Cb 0.07 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1aoy h LYS 45 CO -0.02 0.69 -0.14 0.28 -2.27 0.00 0.00 179.45 177.99 1aoy h VAL 46 N 0.92 1.40 -0.50 2.00 2.07 -0.92 -1.63 116.25 119.60 1aoy h VAL 46 Ca 0.23 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1aoy h VAL 46 Cb 0.06 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1aoy h VAL 46 CO -0.03 0.40 0.17 0.28 0.02 0.00 0.00 177.57 178.40 1aoy h SER 47 N -0.23 0.66 -0.40 0.57 0.02 -0.59 -0.52 113.55 113.05 1aoy h SER 47 Ca 0.01 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1aoy h SER 47 Cb 0.70 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1aoy h SER 47 CO 0.03 0.62 -0.33 0.03 -1.14 0.00 0.00 176.83 176.04 1aoy h ARG 48 N 0.71 0.93 -0.22 3.45 3.08 -0.66 -2.50 114.38 119.17 1aoy h ARG 48 Ca 0.17 -0.46 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 1aoy h ARG 48 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1aoy h ARG 48 CO -0.01 1.12 -0.28 0.52 -1.07 0.00 0.00 179.97 180.25 1aoy h MET 49 N 0.75 0.43 -0.37 0.04 2.86 -0.85 0.25 114.93 118.03 1aoy h MET 49 Ca 0.07 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1aoy h MET 49 Cb 0.92 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1aoy h MET 49 CO 0.09 0.67 0.19 -0.07 1.06 0.00 0.00 176.91 178.85 1aoy h LEU 50 N 0.37 0.47 -0.13 1.22 3.38 -0.97 0.13 115.31 119.78 1aoy h LEU 50 Ca 0.05 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1aoy h LEU 50 Cb 0.69 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1aoy h LEU 50 CO 0.05 0.44 -0.17 0.74 0.09 0.00 0.00 178.44 179.59 1aoy h THR 51 N 0.47 1.36 0.06 0.22 2.02 -1.22 0.39 112.91 116.21 1aoy h THR 51 Ca 0.13 -1.38 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1aoy h THR 51 Cb 0.08 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1aoy h THR 51 CO -0.02 0.40 -0.10 0.50 0.37 0.00 0.00 175.52 176.67 1aoy h LYS 52 N -0.04 -0.20 0.00 6.66 3.11 -0.40 -2.11 116.57 123.59 1aoy h LYS 52 Ca 0.02 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1aoy h LYS 52 Cb 0.73 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.00 1aoy h LYS 52 CO 0.04 -0.13 0.00 1.19 -2.81 0.00 0.00 179.45 177.74 1aoy n PHE 53 N -5.23 0.00 -2.42 1.91 3.72 0.44 -4.93 117.46 110.95 1aoy n PHE 53 Ca -0.07 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.26 1aoy n PHE 53 Cb 0.15 -0.39 0.04 0.00 -0.94 0.00 0.00 39.48 38.33 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 0.91 -0.09 3.79 1.37 0.00 -0.74 -4.90 105.19 105.52 1aoy n GLY 54 Ca 0.09 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.19 3.11 0.30 4.61 0.00 0.13 -4.59 121.76 122.14 1aoy s ALA 55 Ca 0.19 0.59 0.10 0.00 0.00 0.00 0.00 51.96 52.84 1aoy s ALA 55 Cb -0.03 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1aoy s ALA 55 CO 0.36 -0.03 -0.14 0.14 0.00 0.00 0.00 175.76 176.09 1aoy s VAL 56 N -1.75 2.28 -0.06 0.00 -7.23 0.27 -4.93 120.40 108.98 1aoy s VAL 56 Ca 0.56 -2.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1aoy s VAL 56 Cb -0.18 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1aoy s VAL 56 CO 0.23 -0.31 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.37 1aoy s ARG 57 N -3.58 2.54 0.26 4.82 0.52 -1.26 -0.31 118.95 121.94 1aoy s ARG 57 Ca 0.31 -0.83 -0.21 0.00 -0.52 0.00 0.00 55.73 54.47 1aoy s ARG 57 Cb -0.01 -2.25 0.03 0.00 0.52 0.00 0.00 34.95 33.24 1aoy s ARG 57 CO 0.15 0.46 0.70 -0.08 0.02 0.00 0.00 175.30 176.55 1aoy s THR 58 N -0.35 0.00 -0.05 0.02 -1.32 0.05 -4.97 115.64 109.03 1aoy s THR 58 Ca 0.02 -0.84 -0.29 0.00 -1.21 0.00 0.00 61.69 59.38 1aoy s THR 58 Cb -0.12 -1.83 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 1aoy s THR 58 CO 0.02 -0.00 0.96 -0.13 -2.21 0.00 0.00 174.62 173.26 1aoy s ARG 59 N -3.89 4.50 0.00 7.08 0.52 -1.26 -0.48 118.95 125.42 1aoy s ARG 59 Ca 0.09 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 1aoy s ARG 59 Cb -0.05 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1aoy s ARG 59 CO 0.04 -0.14 0.00 0.27 0.02 0.00 0.00 175.30 175.49 1aoy n ASN 60 N 4.29 0.00 0.32 0.23 6.94 -0.59 -4.86 115.26 121.59 1aoy n ASN 60 Ca 0.06 -0.52 0.19 0.00 -0.02 0.00 0.00 54.58 54.30 1aoy n ASN 60 Cb 0.50 0.00 1.08 0.00 -2.36 0.00 0.00 39.78 39.00 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 -1.24 1.20 -0.45 -2.53 0.00 -1.90 -1.81 119.26 112.52 1aoy h ALA 61 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1aoy h ALA 61 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1aoy h ALA 61 CO 0.00 0.01 0.08 1.63 0.00 0.00 0.00 179.25 180.97 1aoy n LYS 62 N -3.38 2.99 -1.32 0.00 4.01 -1.26 -4.94 118.16 114.26 1aoy n LYS 62 Ca -0.03 -3.01 -0.11 0.00 -0.51 0.00 0.00 58.31 54.65 1aoy n LYS 62 Cb 0.09 -1.98 -0.05 0.00 -0.51 0.00 0.00 35.03 32.58 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 -0.51 -1.31 -3.21 1.97 2.81 -0.68 -4.97 117.12 111.22 1aoy n MET 63 Ca 0.31 0.85 -0.39 0.00 -1.81 0.00 0.00 57.70 56.66 1aoy n MET 63 Cb 1.11 -5.06 -0.06 0.00 -0.71 0.00 0.00 33.22 28.50 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 -2.79 4.25 -1.05 0.03 2.02 -1.26 -4.75 118.70 115.15 1aoy s GLU 64 Ca 0.00 0.52 -0.23 0.00 0.02 0.00 0.00 54.97 55.28 1aoy s GLU 64 Cb 0.00 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1aoy s GLU 64 CO 0.00 -0.09 1.86 -1.64 0.02 0.00 0.00 175.26 175.41 1aoy s MET 65 N 1.43 2.79 0.49 1.61 -1.94 -1.26 -1.55 119.30 120.87 1aoy s MET 65 Ca 0.27 -0.84 0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1aoy s MET 65 Cb -0.16 -5.20 0.02 0.00 2.01 0.00 0.00 34.83 31.50 1aoy s MET 65 CO 0.11 -3.34 0.46 0.14 -0.01 0.00 0.00 175.02 172.37 1aoy s VAL 66 N 9.26 2.21 0.43 -6.03 -7.23 0.37 -4.77 120.40 114.64 1aoy s VAL 66 Ca 0.65 -1.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.27 1aoy s VAL 66 Cb -0.03 -2.55 -0.11 0.00 0.56 0.00 0.00 36.38 34.25 1aoy s VAL 66 CO 0.04 0.00 0.96 -0.31 -0.31 0.00 0.00 175.10 175.48 1aoy s TYR 67 N -2.61 3.30 0.27 2.82 2.02 0.13 -0.77 117.35 122.51 1aoy s TYR 67 Ca 0.45 1.62 -0.19 0.00 -0.37 0.00 0.00 57.07 58.58 1aoy s TYR 67 Cb -0.03 -2.88 0.01 0.00 -0.40 0.00 0.00 41.96 38.66 1aoy s TYR 67 CO 0.27 -0.17 0.65 0.00 -1.57 0.00 0.00 175.55 174.73 1aoy s LEU 69 N -2.94 2.38 0.00 0.00 1.43 -1.26 -0.57 118.68 117.72 1aoy s LEU 69 Ca 0.14 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1aoy s LEU 69 Cb -0.04 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.76 1aoy s LEU 69 CO 0.07 -0.39 0.00 -0.81 0.23 0.00 0.00 176.35 175.45 1aoy n PRO 70 N -0.40 1.47 -0.38 1.29 -0.04 -1.26 -4.74 135.00 130.94 1aoy n PRO 70 Ca -0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.18 1aoy n PRO 70 Cb 0.63 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.29 1aoy n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aoy n ALA 71 N -3.00 -3.30 -2.08 0.55 0.00 -1.26 -4.84 120.51 106.58 1aoy n ALA 71 Ca 0.00 -1.13 -0.40 0.00 0.00 0.00 0.00 53.44 51.92 1aoy n ALA 71 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 1aoy n ALA 71 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1aoy s GLU 72 N -4.60 2.85 -0.48 0.00 2.56 -1.26 -4.93 118.70 112.84 1aoy s GLU 72 Ca 0.49 0.74 -0.11 0.00 0.00 0.00 0.00 54.97 56.09 1aoy s GLU 72 Cb -0.07 -4.31 0.11 0.00 2.00 0.00 0.00 34.13 31.86 1aoy s GLU 72 CO 0.40 -2.46 0.38 -1.17 -0.56 0.00 0.00 175.26 171.85 1aoy s LEU 73 N 8.24 5.76 -0.20 2.70 0.20 -1.26 -5.03 118.68 129.08 1aoy s LEU 73 Ca 0.67 -1.80 -0.09 0.00 0.69 0.00 0.00 54.13 53.61 1aoy s LEU 73 Cb -0.14 -2.07 0.08 0.00 -0.43 0.00 0.00 46.19 43.63 1aoy s LEU 73 CO 0.24 -0.72 0.45 -0.83 -0.29 0.00 0.00 176.35 175.20 1aoy s GLY 74 N 2.84 -0.39 0.71 7.98 0.00 -1.26 -5.14 107.32 112.07 1aoy s GLY 74 Ca 0.05 1.63 -0.13 0.00 0.00 0.00 0.00 44.72 46.27 1aoy s GLY 74 CO 0.01 2.18 1.10 -1.34 0.00 0.00 0.00 173.10 175.05 1aoy s VAL 75 N 2.11 3.32 0.31 1.40 -7.23 -1.26 -4.98 120.40 114.07 1aoy s VAL 75 Ca -0.05 0.52 -0.29 0.00 -1.81 0.00 0.00 61.98 60.34 1aoy s VAL 75 Cb -0.10 -3.03 -0.11 0.00 0.56 0.00 0.00 36.38 33.70 1aoy s VAL 75 CO -0.14 -0.47 1.50 -2.84 -0.31 0.00 0.00 175.10 172.84 1aoy s PRO 76 N -4.50 4.18 -0.39 4.82 0.02 -1.26 -4.97 135.00 132.91 1aoy s PRO 76 Ca 0.64 2.47 0.11 0.00 0.02 0.00 0.00 61.00 64.24 1aoy s PRO 76 Cb -0.19 -3.03 0.35 0.00 0.02 0.00 0.00 34.50 31.65 1aoy s PRO 76 CO 0.48 -0.51 0.84 -2.37 -0.33 0.00 0.00 177.00 175.12 1aoy n THR 77 N 1.61 -0.06 0.73 0.99 5.66 -1.26 -5.36 114.28 116.60 1aoy n THR 77 Ca 0.05 -3.73 0.09 0.00 -3.05 0.00 0.00 64.05 57.40 1aoy n THR 77 Cb 0.39 0.22 0.07 0.00 -1.55 0.00 0.00 70.33 69.46 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37