#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 1.32 -2.63 0.03 5.12 -1.26 -4.91 116.66 114.33 1aoy n ARG 2 Ca 0.00 -0.72 -0.03 0.00 -1.93 0.00 0.00 57.85 55.16 1aoy n ARG 2 Cb 0.00 0.08 0.02 0.00 -1.16 0.00 0.00 32.46 31.39 1aoy n ARG 2 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1aoy n SER 3 N -1.97 -5.78 -3.95 0.55 7.64 -1.26 -5.04 113.62 103.81 1aoy n SER 3 Ca -0.00 -0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.54 1aoy n SER 3 Cb 0.13 -3.94 -0.14 0.00 -1.01 0.00 0.00 64.21 59.26 1aoy n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1aoy s SER 4 N -2.89 0.41 0.00 6.43 0.01 -1.26 -4.97 113.70 111.43 1aoy s SER 4 Ca 0.11 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1aoy s SER 4 Cb -0.01 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1aoy s SER 4 CO 0.52 -0.02 0.00 0.00 0.41 0.00 0.00 173.24 174.15 1aoy n ALA 5 N 2.68 0.00 -1.77 1.44 0.00 -1.26 -4.88 120.51 116.72 1aoy n ALA 5 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 1aoy n ALA 5 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 3.48 0.00 0.00 3.01 -1.26 -4.97 119.74 120.01 1aoy s LYS 6 Ca 0.00 1.79 0.22 0.00 -1.01 0.00 0.00 55.97 56.96 1aoy s LYS 6 Cb 0.00 -2.22 -0.13 0.00 -1.01 0.00 0.00 37.83 34.47 1aoy s LYS 6 CO 0.00 -0.78 0.97 0.94 0.51 0.00 0.00 175.35 176.99 1aoy n GLN 7 N -0.90 0.12 0.00 1.68 -0.06 -1.26 -4.11 117.38 112.84 1aoy n GLN 7 Ca 0.10 -0.10 0.03 0.00 -2.00 0.00 0.00 57.00 55.02 1aoy n GLN 7 Cb 0.49 -1.50 0.16 0.00 -4.06 0.00 0.00 30.24 25.33 1aoy n GLN 7 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1aoy n GLU 8 N -1.35 0.40 0.06 3.69 0.28 -1.26 -2.30 120.64 120.16 1aoy n GLU 8 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.93 1aoy n GLU 8 Cb 0.34 -1.21 -0.13 0.00 1.43 0.00 0.00 31.44 31.87 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 0.12 -0.30 3.44 4.39 -1.98 -2.60 114.58 117.64 1aoy h GLU 9 Ca 0.00 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 1aoy h GLU 9 Cb 0.00 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1aoy h GLU 9 CO 0.00 0.99 -0.02 1.25 -1.16 0.00 0.00 179.01 180.07 1aoy h LEU 10 N 0.03 0.43 -0.01 1.33 6.46 -1.77 -0.21 115.31 121.56 1aoy h LEU 10 Ca -0.14 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1aoy h LEU 10 Cb 1.91 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.73 1aoy h LEU 10 CO 0.14 0.51 -0.00 0.58 -0.62 0.00 0.00 178.44 179.05 1aoy h VAL 11 N 0.44 1.31 -0.26 1.05 2.07 -1.70 0.26 116.25 119.42 1aoy h VAL 11 Ca 0.10 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1aoy h VAL 11 Cb 0.32 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1aoy h VAL 11 CO 0.01 0.24 0.16 0.11 0.02 0.00 0.00 177.57 178.11 1aoy h LYS 12 N -0.35 0.35 -0.74 1.57 1.57 -1.26 -2.44 116.57 115.27 1aoy h LYS 12 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1aoy h LYS 12 Cb 0.40 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1aoy h LYS 12 CO 0.00 0.28 0.34 0.00 -0.57 0.00 0.00 179.45 179.51 1aoy h ALA 13 N 1.05 0.95 -0.12 3.86 0.00 -1.04 -2.13 119.26 121.83 1aoy h ALA 13 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1aoy h ALA 13 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1aoy h ALA 13 CO -0.02 0.53 -0.06 0.35 0.00 0.00 0.00 179.25 180.05 1aoy h PHE 14 N 1.04 -0.13 -0.57 0.00 3.57 -0.20 0.29 116.94 120.93 1aoy h PHE 14 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1aoy h PHE 14 Cb 0.14 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1aoy h PHE 14 CO 0.01 -0.09 0.31 0.87 -2.23 0.00 0.00 178.31 177.17 1aoy h LYS 15 N -0.05 0.80 -0.35 1.11 1.57 -1.37 -2.72 116.57 115.57 1aoy h LYS 15 Ca 0.07 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1aoy h LYS 15 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1aoy h LYS 15 CO -0.15 0.62 0.23 0.00 -0.57 0.00 0.00 179.45 179.58 1aoy h ALA 16 N 1.14 0.45 -0.37 3.86 0.00 -0.94 0.65 119.26 124.04 1aoy h ALA 16 Ca 0.20 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1aoy h ALA 16 Cb 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1aoy h ALA 16 CO -0.03 -0.09 0.08 -0.07 0.00 0.00 0.00 179.25 179.14 1aoy h LEU 17 N 0.48 0.03 -0.00 0.00 3.38 -0.83 -0.31 115.31 118.06 1aoy h LEU 17 Ca 0.13 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1aoy h LEU 17 Cb -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1aoy h LEU 17 CO -0.03 0.05 0.00 -0.07 0.09 0.00 0.00 178.44 178.49 1aoy h LEU 18 N 0.21 0.00 -1.03 1.67 3.38 -1.29 -2.97 115.31 115.28 1aoy h LEU 18 Ca 0.18 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aoy h LEU 18 Cb 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1aoy h LEU 18 CO -0.22 0.22 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1aoy n LYS 19 N -4.98 0.16 0.14 1.13 5.02 0.20 -0.93 118.16 118.90 1aoy n LYS 19 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1aoy n LYS 19 Cb 0.13 -1.90 0.14 0.00 -0.02 0.00 0.00 35.03 33.38 1aoy n LYS 19 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1aoy h GLU 20 N 0.00 0.00 -4.40 1.97 5.08 -0.89 -3.47 114.58 112.87 1aoy h GLU 20 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1aoy h GLU 20 Cb 0.18 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.55 1aoy h GLU 20 CO 0.00 0.61 -0.51 0.39 -1.00 0.00 0.00 179.01 178.50 1aoy n GLU 21 N -3.56 -3.01 0.00 2.33 1.02 -0.11 -4.98 120.64 112.34 1aoy n GLU 21 Ca -0.00 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1aoy n GLU 21 Cb 0.66 -4.46 0.00 0.00 -0.02 0.00 0.00 31.44 27.63 1aoy n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1aoy n LYS 22 N -2.81 2.95 -3.79 3.49 2.85 -1.26 -4.90 118.16 114.68 1aoy n LYS 22 Ca -0.12 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.78 1aoy n LYS 22 Cb 0.59 -0.70 -0.08 0.00 -0.65 0.00 0.00 35.03 34.20 1aoy n LYS 22 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1aoy s PHE 23 N -1.26 3.44 -0.23 5.58 0.08 -1.26 -4.97 117.98 119.36 1aoy s PHE 23 Ca 0.00 0.35 0.12 0.00 0.12 0.00 0.00 56.93 57.53 1aoy s PHE 23 Cb 0.00 -2.10 -0.17 0.00 -0.57 0.00 0.00 43.02 40.18 1aoy s PHE 23 CO 0.00 0.38 0.37 -1.13 -0.10 0.00 0.00 175.22 174.74 1aoy n SER 24 N 3.17 1.54 -4.17 1.36 3.41 -1.26 0.50 113.62 118.17 1aoy n SER 24 Ca -0.17 -0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.04 1aoy n SER 24 Cb 0.53 1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.97 1.18 0.05 4.04 1.04 -1.26 -4.68 113.70 111.10 1aoy s SER 25 Ca -0.01 -0.98 -0.29 0.00 0.48 0.00 0.00 55.95 55.15 1aoy s SER 25 Cb 0.09 0.08 -0.17 0.00 0.10 0.00 0.00 66.02 66.11 1aoy s SER 25 CO 0.52 -0.44 1.48 1.56 0.98 0.00 0.00 173.24 177.34 1aoy h GLN 26 N 3.04 -0.61 -1.00 4.02 4.20 -1.97 -3.22 115.11 119.57 1aoy h GLN 26 Ca -0.35 0.04 0.40 0.00 0.06 0.00 0.00 58.65 58.79 1aoy h GLN 26 Cb 1.17 0.14 -0.18 0.00 0.30 0.00 0.00 27.48 28.91 1aoy h GLN 26 CO 0.63 -0.35 0.51 0.78 -0.67 0.00 0.00 178.83 179.74 1aoy h GLY 27 N -0.77 2.19 0.83 3.46 0.00 -1.97 0.91 103.07 107.73 1aoy h GLY 27 Ca -0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1aoy h GLY 27 CO 0.11 -0.75 -0.27 -2.09 0.00 0.00 0.00 176.54 173.54 1aoy h GLU 28 N 0.05 0.50 0.00 4.80 4.81 -1.99 -2.43 114.58 120.31 1aoy h GLU 28 Ca 0.82 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.70 1aoy h GLU 28 Cb 2.11 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.51 1aoy h GLU 28 CO -0.75 0.89 -0.25 0.97 -0.73 0.00 0.00 179.01 179.14 1aoy h ILE 29 N 0.15 0.66 0.15 2.32 2.10 -0.97 -0.44 117.51 121.48 1aoy h ILE 29 Ca 0.02 -1.12 -0.01 0.00 1.08 0.00 0.00 64.86 64.83 1aoy h ILE 29 Cb 0.84 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 1aoy h ILE 29 CO 0.06 0.24 -0.07 0.58 -1.08 0.00 0.00 178.15 177.88 1aoy h VAL 30 N 0.00 0.95 -0.53 2.19 2.07 -0.93 -2.47 116.25 117.53 1aoy h VAL 30 Ca -0.00 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 1aoy h VAL 30 Cb 0.71 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1aoy h VAL 30 CO 0.03 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.68 1aoy h ALA 31 N 0.42 0.72 -0.71 1.67 0.00 -1.27 -2.90 119.26 117.19 1aoy h ALA 31 Ca -0.02 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1aoy h ALA 31 Cb 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1aoy h ALA 31 CO 0.03 0.57 0.39 0.00 0.00 0.00 0.00 179.25 180.24 1aoy h ALA 32 N 0.94 0.97 0.00 0.00 0.00 -1.04 -0.59 119.26 119.53 1aoy h ALA 32 Ca 0.14 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1aoy h ALA 32 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1aoy h ALA 32 CO 0.04 0.04 -0.37 -0.07 0.00 0.00 0.00 179.25 178.89 1aoy h LEU 33 N 0.69 0.00 -1.03 0.00 3.38 -1.40 -2.29 115.31 114.66 1aoy h LEU 33 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 1aoy h LEU 33 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1aoy h LEU 33 CO -0.22 0.37 -0.17 1.56 0.09 0.00 0.00 178.44 180.07 1aoy h GLN 34 N 0.00 0.49 -0.23 1.13 4.20 -0.92 -1.55 115.11 118.23 1aoy h GLN 34 Ca -0.00 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.39 1aoy h GLN 34 Cb 0.81 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1aoy h GLN 34 CO 0.05 0.65 -0.49 0.93 -0.67 0.00 0.00 178.83 179.30 1aoy h GLU 35 N 0.45 0.63 0.83 1.46 5.08 -1.05 -3.32 114.58 118.65 1aoy h GLU 35 Ca 0.08 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 1aoy h GLU 35 Cb 0.56 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1aoy h GLU 35 CO 0.04 0.98 -0.40 1.96 -1.00 0.00 0.00 179.01 180.59 1aoy h GLN 36 N 0.50 -1.07 0.00 2.33 1.08 -0.85 -3.47 115.11 113.63 1aoy h GLN 36 Ca 0.02 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1aoy h GLN 36 Cb 1.03 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1aoy h GLN 36 CO 0.10 -0.72 0.00 0.41 -0.95 0.00 0.00 178.83 177.67 1aoy n GLY 37 N -1.35 0.00 2.93 3.46 0.00 -0.66 -5.06 105.19 104.51 1aoy n GLY 37 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 2.43 -0.10 1.61 0.08 -0.77 -5.01 117.98 116.23 1aoy s PHE 38 Ca 0.00 -1.82 -0.14 0.00 0.12 0.00 0.00 56.93 55.09 1aoy s PHE 38 Cb 0.00 -1.66 -0.27 0.00 -0.57 0.00 0.00 43.02 40.52 1aoy s PHE 38 CO 0.00 -0.79 0.51 0.22 -0.10 0.00 0.00 175.22 175.06 1aoy h ASP 39 N 7.94 0.40 0.00 1.36 3.58 -1.87 -3.32 116.42 124.52 1aoy h ASP 39 Ca -0.17 -0.86 -0.10 0.00 0.42 0.00 0.00 57.03 56.31 1aoy h ASP 39 Cb 1.07 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 1aoy h ASP 39 CO 0.42 1.69 -0.20 -3.20 -2.88 0.00 0.00 179.24 175.07 1aoy n ASN 40 N -3.81 5.14 -4.46 2.28 5.15 -1.26 -4.84 115.26 113.46 1aoy n ASN 40 Ca -0.27 -2.42 -0.33 0.00 -0.60 0.00 0.00 54.58 50.97 1aoy n ASN 40 Cb 0.95 -1.25 -0.13 0.00 -0.53 0.00 0.00 39.78 38.81 1aoy n ASN 40 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1aoy s ILE 41 N 0.61 3.02 0.27 -1.44 1.09 -1.26 -5.05 121.20 118.43 1aoy s ILE 41 Ca 0.36 -0.73 -0.04 0.00 -1.10 0.00 0.00 60.65 59.14 1aoy s ILE 41 Cb 0.17 -2.19 -0.02 0.00 -1.06 0.00 0.00 42.46 39.36 1aoy s ILE 41 CO 0.00 0.58 0.35 0.54 -0.10 0.00 0.00 174.94 176.31 1aoy s ASN 42 N -0.58 0.45 0.27 3.58 2.20 -1.26 -5.03 114.94 114.56 1aoy s ASN 42 Ca 0.08 -1.32 -0.04 0.00 -0.94 0.00 0.00 52.86 50.65 1aoy s ASN 42 Cb -0.11 0.54 0.35 0.00 -2.00 0.00 0.00 41.25 40.03 1aoy s ASN 42 CO 0.01 -1.08 1.93 -0.61 -2.94 0.00 0.00 177.10 174.42 1aoy h GLN 43 N 2.32 1.21 -0.08 3.55 4.15 -1.98 -1.83 115.11 122.46 1aoy h GLN 43 Ca -0.30 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 1aoy h GLN 43 Cb 1.25 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 1aoy h GLN 43 CO 0.42 0.80 0.04 0.66 -1.93 0.00 0.00 178.83 178.82 1aoy h SER 44 N 1.25 0.10 -0.85 -0.69 4.64 -1.98 0.65 113.55 116.67 1aoy h SER 44 Ca 0.36 -0.10 0.05 0.00 -0.47 0.00 0.00 61.79 61.63 1aoy h SER 44 Cb -0.09 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 1aoy h SER 44 CO -0.09 0.17 0.56 0.50 -0.87 0.00 0.00 176.83 177.10 1aoy h LYS 45 N 0.02 0.96 -0.24 4.77 3.64 -1.90 0.33 116.57 124.15 1aoy h LYS 45 Ca 0.03 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1aoy h LYS 45 Cb 0.10 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1aoy h LYS 45 CO -0.00 0.64 -0.64 0.28 -2.27 0.00 0.00 179.45 177.45 1aoy h VAL 46 N 0.99 1.27 -0.20 2.00 2.07 -1.04 -0.58 116.25 120.77 1aoy h VAL 46 Ca 0.36 -1.83 -0.16 0.00 0.82 0.00 0.00 66.70 65.89 1aoy h VAL 46 Cb 0.15 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1aoy h VAL 46 CO -0.12 0.59 -0.52 -1.28 0.02 0.00 0.00 177.57 176.26 1aoy h SER 47 N 0.62 0.63 -0.24 0.57 0.87 -0.27 -0.93 113.55 114.81 1aoy h SER 47 Ca -0.01 -0.32 -0.18 0.00 -1.23 0.00 0.00 61.79 60.05 1aoy h SER 47 Cb 1.26 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1aoy h SER 47 CO 0.14 1.03 -0.55 0.03 -0.53 0.00 0.00 176.83 176.95 1aoy h ARG 48 N 0.45 0.79 -0.43 2.24 3.08 -0.36 -2.30 114.38 117.84 1aoy h ARG 48 Ca 0.02 -0.53 -0.07 0.00 0.07 0.00 0.00 59.98 59.46 1aoy h ARG 48 Cb 1.05 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1aoy h ARG 48 CO 0.10 1.16 -0.03 0.52 -1.07 0.00 0.00 179.97 180.64 1aoy h MET 49 N 0.53 0.71 -0.03 0.04 2.86 -1.07 0.28 114.93 118.26 1aoy h MET 49 Ca -0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1aoy h MET 49 Cb 1.16 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1aoy h MET 49 CO 0.12 0.75 0.00 -0.07 1.06 0.00 0.00 176.91 178.77 1aoy h LEU 50 N 0.66 -0.00 -0.48 1.22 3.38 -1.06 0.19 115.31 119.22 1aoy h LEU 50 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1aoy h LEU 50 Cb 0.46 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1aoy h LEU 50 CO 0.02 0.01 -0.49 0.74 0.09 0.00 0.00 178.44 178.81 1aoy h THR 51 N 0.02 1.30 0.28 0.22 2.02 -1.20 0.15 112.91 115.69 1aoy h THR 51 Ca 0.01 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 1aoy h THR 51 Cb 0.01 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1aoy h THR 51 CO -0.02 0.54 -0.14 0.50 0.37 0.00 0.00 175.52 176.78 1aoy h LYS 52 N 0.55 -0.37 0.00 6.66 3.11 -0.24 -3.02 116.57 123.26 1aoy h LYS 52 Ca 0.03 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1aoy h LYS 52 Cb 1.05 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1aoy h LYS 52 CO 0.10 -0.10 0.00 0.74 -2.81 0.00 0.00 179.45 177.38 1aoy h PHE 53 N -0.60 0.00 -2.83 1.91 0.04 -0.69 -3.48 116.94 111.30 1aoy h PHE 53 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 1aoy h PHE 53 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1aoy h PHE 53 CO -0.00 0.00 -0.01 0.41 -0.60 0.00 0.00 178.31 178.11 1aoy n GLY 54 N 0.32 0.79 3.82 -1.45 0.00 -0.36 -4.66 105.19 103.66 1aoy n GLY 54 Ca 0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 3.05 0.21 4.61 0.00 -0.10 -4.41 121.76 122.11 1aoy s ALA 55 Ca 0.01 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1aoy s ALA 55 Cb -0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1aoy s ALA 55 CO 0.01 0.10 -0.15 0.14 0.00 0.00 0.00 175.76 175.86 1aoy s VAL 56 N -2.22 1.85 -0.13 0.00 -7.23 0.47 -4.93 120.40 108.20 1aoy s VAL 56 Ca 0.61 -2.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1aoy s VAL 56 Cb -0.09 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1aoy s VAL 56 CO 0.15 -0.56 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.15 1aoy s ARG 57 N -3.59 3.41 0.18 4.82 0.52 -1.26 -0.13 118.95 122.91 1aoy s ARG 57 Ca 0.23 -0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 54.59 1aoy s ARG 57 Cb -0.02 -2.71 0.06 0.00 0.52 0.00 0.00 34.95 32.81 1aoy s ARG 57 CO 0.08 0.26 0.61 -0.08 0.02 0.00 0.00 175.30 176.19 1aoy s THR 58 N 0.25 0.00 -0.02 0.02 -1.32 -0.18 -4.92 115.64 109.47 1aoy s THR 58 Ca -0.07 -0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 59.87 1aoy s THR 58 Cb -0.15 -1.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.58 1aoy s THR 58 CO 0.04 -0.02 1.32 -0.13 -2.21 0.00 0.00 174.62 173.63 1aoy s ARG 59 N -3.79 4.31 0.00 7.08 0.52 -1.26 -0.50 118.95 125.31 1aoy s ARG 59 Ca 0.03 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 1aoy s ARG 59 Cb -0.02 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1aoy s ARG 59 CO -0.09 -0.53 0.00 0.27 0.02 0.00 0.00 175.30 174.97 1aoy n ASN 60 N 5.32 0.00 0.29 0.23 0.23 -0.55 -4.83 115.26 115.95 1aoy n ASN 60 Ca 0.12 -0.32 0.14 0.00 -0.53 0.00 0.00 54.58 54.00 1aoy n ASN 60 Cb 0.45 0.00 0.88 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 -1.55 1.58 -0.58 -2.53 0.00 -1.90 -1.67 119.26 112.60 1aoy h ALA 61 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1aoy h ALA 61 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1aoy h ALA 61 CO 0.00 0.00 0.10 1.63 0.00 0.00 0.00 179.25 180.98 1aoy n LYS 62 N -3.92 4.10 -1.34 0.00 5.02 -1.26 -4.93 118.16 115.82 1aoy n LYS 62 Ca -0.03 -3.10 -0.12 0.00 -2.02 0.00 0.00 58.31 53.04 1aoy n LYS 62 Cb 0.09 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 32.87 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 0.11 -1.27 -3.50 1.97 2.81 -0.63 -4.98 117.12 111.64 1aoy n MET 63 Ca 0.32 0.88 -0.38 0.00 -1.81 0.00 0.00 57.70 56.72 1aoy n MET 63 Cb 1.22 -5.08 -0.09 0.00 -0.71 0.00 0.00 33.22 28.57 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 -2.88 4.11 -0.67 0.03 2.02 -1.26 -4.76 118.70 115.30 1aoy s GLU 64 Ca 0.00 -0.01 -0.26 0.00 0.02 0.00 0.00 54.97 54.72 1aoy s GLU 64 Cb 0.00 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1aoy s GLU 64 CO 0.00 -0.03 1.96 -1.64 0.02 0.00 0.00 175.26 175.57 1aoy s MET 65 N 1.31 2.52 0.34 1.61 -1.94 -1.26 -1.49 119.30 120.39 1aoy s MET 65 Ca 0.14 0.49 0.09 0.00 -1.71 0.00 0.00 55.69 54.69 1aoy s MET 65 Cb -0.14 -4.57 -0.05 0.00 2.01 0.00 0.00 34.83 32.07 1aoy s MET 65 CO 0.07 -2.99 0.02 0.14 -0.01 0.00 0.00 175.02 172.24 1aoy s VAL 66 N 9.83 2.64 0.18 -6.03 -7.23 0.35 -4.70 120.40 115.44 1aoy s VAL 66 Ca 0.72 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 1aoy s VAL 66 Cb -0.12 -2.81 -0.08 0.00 0.56 0.00 0.00 36.38 33.94 1aoy s VAL 66 CO 0.16 -0.19 1.13 -0.31 -0.31 0.00 0.00 175.10 175.57 1aoy s TYR 67 N -2.52 3.54 0.14 2.82 2.02 0.18 -1.01 117.35 122.53 1aoy s TYR 67 Ca 0.35 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.51 1aoy s TYR 67 Cb -0.00 -3.32 -0.00 0.00 -0.40 0.00 0.00 41.96 38.24 1aoy s TYR 67 CO 0.19 -0.77 0.27 0.00 -1.57 0.00 0.00 175.55 173.67 1aoy s LEU 69 N -2.92 3.29 0.00 0.00 2.96 -1.26 -0.40 118.68 120.36 1aoy s LEU 69 Ca 0.12 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1aoy s LEU 69 Cb 0.04 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.96 1aoy s LEU 69 CO -0.05 0.25 0.00 -2.65 -1.32 0.00 0.00 176.35 172.58 1aoy n PRO 70 N 3.00 0.53 -1.34 0.98 -0.02 -1.26 -4.77 135.00 132.13 1aoy n PRO 70 Ca -0.18 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.92 1aoy n PRO 70 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 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 5.31 -3.82 3.55 0.00 -1.26 -4.35 120.51 116.95 1aoy n ALA 71 Ca 0.00 -3.37 -0.26 0.00 0.00 0.00 0.00 53.44 49.81 1aoy n ALA 71 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 19.45 16.04 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 5.48 -5.40 -2.59 0.00 1.02 -1.26 -3.66 120.64 114.22 1aoy n GLU 72 Ca 0.56 0.62 -0.05 0.00 -0.02 0.00 0.00 57.16 58.27 1aoy n GLU 72 Cb 0.32 -5.38 0.01 0.00 -0.02 0.00 0.00 31.44 26.37 1aoy n GLU 72 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1aoy n LEU 73 N -4.54 -6.45 -3.91 -4.62 7.94 -1.26 -4.93 117.00 99.23 1aoy n LEU 73 Ca -0.10 0.31 -0.43 0.00 -1.11 0.00 0.00 56.01 54.68 1aoy n LEU 73 Cb 0.59 -2.87 0.01 0.00 0.53 0.00 0.00 43.42 41.68 1aoy n LEU 73 CO 0.72 -1.62 1.80 0.61 -1.11 0.00 0.00 177.39 177.79 1aoy n GLY 74 N -0.65 4.79 3.25 -3.96 0.00 -1.24 -4.92 105.19 102.46 1aoy n GLY 74 Ca 0.07 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 1aoy n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoy s VAL 75 N -0.12 -0.00 0.00 1.61 0.11 -1.26 -5.06 120.40 115.68 1aoy s VAL 75 Ca 0.38 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.39 1aoy s VAL 75 Cb 0.08 -0.52 -0.26 0.00 -1.53 0.00 0.00 36.38 34.15 1aoy s VAL 75 CO 0.02 0.01 3.59 -0.81 -3.33 0.00 0.00 175.10 174.57 1aoy n PRO 76 N 3.07 1.97 0.00 1.54 -0.04 -1.26 -4.76 135.00 135.52 1aoy n PRO 76 Ca -0.15 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1aoy n PRO 76 Cb 0.57 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 2.48 0.00 -1.81 0.52 5.66 -1.26 -5.35 114.28 114.53 1aoy n THR 77 Ca 0.42 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 1aoy n THR 77 Cb 0.91 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 1aoy n THR 77 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09