#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 3.21 -0.26 0.03 1.81 -1.26 -5.05 118.95 117.43 1aoy s ARG 2 Ca 0.00 -0.80 -0.02 0.00 -1.72 0.00 0.00 55.73 53.18 1aoy s ARG 2 Cb 0.00 -3.53 0.15 0.00 -0.45 0.00 0.00 34.95 31.12 1aoy s ARG 2 CO 0.00 -0.46 0.45 -1.12 -0.68 0.00 0.00 175.30 173.49 1aoy s SER 3 N 1.57 -0.28 -0.24 0.23 0.01 -1.26 -5.13 113.70 108.60 1aoy s SER 3 Ca 0.04 0.47 -0.01 0.00 1.31 0.00 0.00 55.95 57.76 1aoy s SER 3 Cb -0.17 1.45 0.03 0.00 0.21 0.00 0.00 66.02 67.54 1aoy s SER 3 CO 0.05 -0.28 -0.08 -0.44 0.41 0.00 0.00 173.24 172.90 1aoy s SER 4 N 2.65 4.19 -0.08 2.44 0.01 -1.26 -4.98 113.70 116.66 1aoy s SER 4 Ca 0.14 -0.87 0.10 0.00 1.31 0.00 0.00 55.95 56.64 1aoy s SER 4 Cb -0.15 -1.64 -0.24 0.00 0.21 0.00 0.00 66.02 64.21 1aoy s SER 4 CO -0.17 -0.11 0.50 0.00 0.41 0.00 0.00 173.24 173.87 1aoy n ALA 5 N 4.65 1.41 -2.38 1.44 0.00 -1.26 -4.87 120.51 119.49 1aoy n ALA 5 Ca -0.17 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 1aoy n ALA 5 Cb 0.47 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.57 4.29 0.00 0.00 -0.14 -1.26 -4.91 119.74 115.15 1aoy s LYS 6 Ca -0.09 1.75 0.00 0.00 -1.36 0.00 0.00 55.97 56.27 1aoy s LYS 6 Cb 0.07 -3.65 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 1aoy s LYS 6 CO 0.81 -0.57 1.14 1.04 -0.76 0.00 0.00 175.35 177.01 1aoy n GLN 7 N 5.77 0.84 -0.00 1.68 6.02 -1.26 -4.09 117.38 126.34 1aoy n GLN 7 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1aoy n GLN 7 Cb 0.45 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.63 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 0.94 1.00 -0.04 -1.09 1.02 -1.26 -2.66 120.64 118.55 1aoy n GLU 8 Ca 0.00 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1aoy n GLU 8 Cb 0.42 -1.18 -0.14 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.32 0.68 -0.04 3.49 -0.58 -1.26 -4.08 120.64 118.53 1aoy n GLU 9 Ca 0.00 0.21 0.24 0.00 -0.42 0.00 0.00 57.16 57.18 1aoy n GLU 9 Cb 0.09 -1.68 0.72 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.02 0.00 -0.06 -4.62 5.85 -1.86 0.12 115.31 114.75 1aoy h LEU 10 Ca -0.41 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1aoy h LEU 10 Cb 2.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1aoy h LEU 10 CO 0.05 0.00 -0.34 0.58 -0.34 0.00 0.00 178.44 178.39 1aoy h VAL 11 N 0.00 1.43 -0.72 1.05 2.07 -1.76 -0.80 116.25 117.52 1aoy h VAL 11 Ca 0.30 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1aoy h VAL 11 Cb 1.32 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 33.43 1aoy h VAL 11 CO -0.00 0.51 0.46 0.11 0.02 0.00 0.00 177.57 178.67 1aoy h LYS 12 N -0.17 0.96 -0.21 1.57 6.56 -1.18 -1.81 116.57 122.30 1aoy h LYS 12 Ca -0.02 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 1aoy h LYS 12 Cb 1.00 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.44 1aoy h LYS 12 CO 0.07 0.66 0.03 0.00 -2.06 0.00 0.00 179.45 178.14 1aoy h ALA 13 N 1.25 0.27 0.44 3.86 0.00 -1.38 -2.16 119.26 121.55 1aoy h ALA 13 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1aoy h ALA 13 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1aoy h ALA 13 CO -0.05 -0.04 -0.44 0.35 0.00 0.00 0.00 179.25 179.06 1aoy h PHE 14 N 0.13 -1.22 -0.91 0.00 3.57 -0.88 -0.90 116.94 116.74 1aoy h PHE 14 Ca 0.06 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.69 1aoy h PHE 14 Cb 0.34 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 39.46 1aoy h PHE 14 CO 0.02 -0.59 0.53 0.87 -2.23 0.00 0.00 178.31 176.92 1aoy h LYS 15 N -0.88 0.80 -0.18 1.11 1.79 -1.41 -2.41 116.57 115.39 1aoy h LYS 15 Ca -0.06 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1aoy h LYS 15 Cb 0.76 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1aoy h LYS 15 CO -0.05 0.53 0.05 0.00 -1.08 0.00 0.00 179.45 178.89 1aoy h ALA 16 N 1.52 0.24 -0.07 3.86 0.00 -1.17 -2.36 119.26 121.28 1aoy h ALA 16 Ca 0.46 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1aoy h ALA 16 Cb 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1aoy h ALA 16 CO -0.29 -0.13 -0.14 -0.07 0.00 0.00 0.00 179.25 178.63 1aoy h LEU 17 N 0.10 -0.41 -0.42 0.00 3.38 -0.69 -2.61 115.31 114.66 1aoy h LEU 17 Ca 0.06 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1aoy h LEU 17 Cb 0.26 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1aoy h LEU 17 CO 0.00 -0.18 0.25 -0.07 0.09 0.00 0.00 178.44 178.53 1aoy h LEU 18 N -0.19 0.41 -0.44 1.67 3.38 -1.47 -2.33 115.31 116.33 1aoy h LEU 18 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1aoy h LEU 18 Cb 0.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1aoy h LEU 18 CO -0.19 0.29 0.00 0.29 0.09 0.00 0.00 178.44 178.93 1aoy n LYS 19 N -4.85 0.07 0.18 1.13 5.02 -0.89 -1.45 118.16 117.38 1aoy n LYS 19 Ca 0.01 0.44 0.12 0.00 -2.02 0.00 0.00 58.31 56.86 1aoy n LYS 19 Cb 0.06 -1.67 0.12 0.00 -0.02 0.00 0.00 35.03 33.51 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 -4.24 1.97 5.08 -1.05 -3.48 114.58 112.86 1aoy h GLU 20 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1aoy h GLU 20 Cb 0.15 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.51 1aoy h GLU 20 CO 0.00 0.00 -0.47 0.39 -1.00 0.00 0.00 179.01 177.94 1aoy n GLU 21 N -2.98 -2.69 -2.65 2.33 1.02 -0.53 -4.99 120.64 110.15 1aoy n GLU 21 Ca 0.03 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1aoy n GLU 21 Cb 0.54 -4.24 0.05 0.00 -0.02 0.00 0.00 31.44 27.77 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 -2.67 1.48 -3.44 3.49 2.85 -1.26 -4.79 118.16 113.82 1aoy n LYS 22 Ca -0.11 -3.10 -0.24 0.00 -1.05 0.00 0.00 58.31 53.81 1aoy n LYS 22 Cb 0.59 -1.22 -0.11 0.00 -0.65 0.00 0.00 35.03 33.63 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 -2.98 0.14 -0.03 5.58 0.08 -1.26 -4.97 117.98 114.53 1aoy s PHE 23 Ca 0.26 -0.97 -0.21 0.00 0.12 0.00 0.00 56.93 56.13 1aoy s PHE 23 Cb 0.34 -0.69 -0.31 0.00 -0.57 0.00 0.00 43.02 41.79 1aoy s PHE 23 CO -0.06 -0.88 0.94 0.66 -0.10 0.00 0.00 175.22 175.77 1aoy h SER 24 N 7.58 0.51 -1.87 1.36 4.64 -1.91 0.55 113.55 124.41 1aoy h SER 24 Ca -0.04 -0.92 -0.58 0.00 -0.47 0.00 0.00 61.79 59.78 1aoy h SER 24 Cb 1.02 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.84 1aoy h SER 24 CO 0.30 1.39 -0.59 -0.94 -0.87 0.00 0.00 176.83 176.12 1aoy s SER 25 N -6.99 4.28 0.04 4.97 1.04 -1.26 -4.56 113.70 111.21 1aoy s SER 25 Ca -0.13 -0.98 -0.26 0.00 0.48 0.00 0.00 55.95 55.06 1aoy s SER 25 Cb 0.02 -0.55 -0.17 0.00 0.10 0.00 0.00 66.02 65.41 1aoy s SER 25 CO 0.84 -0.29 1.44 1.56 0.98 0.00 0.00 173.24 177.78 1aoy h GLN 26 N 1.72 -0.34 -1.14 4.02 7.50 -1.95 -3.15 115.11 121.77 1aoy h GLN 26 Ca -0.43 0.02 0.33 0.00 0.50 0.00 0.00 58.65 59.07 1aoy h GLN 26 Cb 1.25 0.08 -0.10 0.00 0.05 0.00 0.00 27.48 28.76 1aoy h GLN 26 CO 0.67 -0.08 0.75 0.78 -1.50 0.00 0.00 178.83 179.44 1aoy h GLY 27 N -0.56 1.11 0.94 3.46 0.00 -1.96 0.33 103.07 106.39 1aoy h GLY 27 Ca -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1aoy h GLY 27 CO 0.06 -0.20 0.12 0.83 0.00 0.00 0.00 176.54 177.34 1aoy h GLU 28 N 0.26 0.62 0.00 4.80 5.08 -1.97 -2.48 114.58 120.89 1aoy h GLU 28 Ca 0.66 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1aoy h GLU 28 Cb 1.92 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1aoy h GLU 28 CO -0.30 0.63 0.00 0.97 -1.00 0.00 0.00 179.01 179.30 1aoy h ILE 29 N 0.49 0.00 -0.01 3.13 2.10 -1.04 -2.38 117.51 119.81 1aoy h ILE 29 Ca 0.13 -0.75 -0.00 0.00 1.08 0.00 0.00 64.86 65.31 1aoy h ILE 29 Cb 0.27 1.74 -0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1aoy h ILE 29 CO -0.00 0.00 0.00 0.58 -1.08 0.00 0.00 178.15 177.65 1aoy h VAL 30 N 0.00 1.22 -0.76 2.19 2.07 -1.01 -2.08 116.25 117.88 1aoy h VAL 30 Ca 0.00 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1aoy h VAL 30 Cb 0.77 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1aoy h VAL 30 CO 0.00 0.17 0.31 0.00 0.02 0.00 0.00 177.57 178.08 1aoy h ALA 31 N 0.73 1.12 -0.69 1.67 0.00 -1.37 -2.41 119.26 118.32 1aoy h ALA 31 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1aoy h ALA 31 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1aoy h ALA 31 CO 0.00 0.63 0.45 0.00 0.00 0.00 0.00 179.25 180.33 1aoy h ALA 32 N 1.25 0.88 -0.12 0.00 0.00 -1.31 -1.77 119.26 118.19 1aoy h ALA 32 Ca 0.25 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1aoy h ALA 32 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1aoy h ALA 32 CO -0.02 0.32 -0.41 -0.07 0.00 0.00 0.00 179.25 179.06 1aoy h LEU 33 N 0.94 0.28 -1.23 0.00 3.38 -1.17 -1.21 115.31 116.30 1aoy h LEU 33 Ca 0.25 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1aoy h LEU 33 Cb -0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1aoy h LEU 33 CO -0.05 0.67 -0.05 1.56 0.09 0.00 0.00 178.44 180.66 1aoy h GLN 34 N 0.22 0.47 0.00 1.13 4.20 -0.90 -0.98 115.11 119.26 1aoy h GLN 34 Ca 0.02 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 1aoy h GLN 34 Cb 0.83 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1aoy h GLN 34 CO 0.07 0.54 -0.70 0.93 -0.67 0.00 0.00 178.83 179.00 1aoy h GLU 35 N 0.45 0.00 0.44 1.46 5.08 -0.95 -3.33 114.58 117.72 1aoy h GLU 35 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1aoy h GLU 35 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1aoy h GLU 35 CO 0.02 0.70 -0.21 1.96 -1.00 0.00 0.00 179.01 180.47 1aoy h GLN 36 N 0.00 -0.56 0.00 2.33 1.08 -0.32 -3.47 115.11 114.17 1aoy h GLN 36 Ca -0.01 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1aoy h GLN 36 Cb 1.30 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 1aoy h GLN 36 CO 0.09 -0.27 0.00 0.41 -0.95 0.00 0.00 178.83 178.11 1aoy n GLY 37 N -0.11 0.00 2.87 3.46 0.00 -0.46 -5.10 105.19 105.85 1aoy n GLY 37 Ca -0.09 0.00 -0.30 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 2.14 -0.32 1.61 0.08 -0.79 -4.99 117.98 115.72 1aoy s PHE 38 Ca 0.00 -1.70 0.10 0.00 0.12 0.00 0.00 56.93 55.44 1aoy s PHE 38 Cb 0.00 -1.63 0.66 0.00 -0.57 0.00 0.00 43.02 41.49 1aoy s PHE 38 CO 0.00 -0.78 1.71 -0.25 -0.10 0.00 0.00 175.22 175.80 1aoy n ASP 39 N 4.73 4.11 -3.20 1.36 8.00 -1.26 -3.80 116.55 126.50 1aoy n ASP 39 Ca -0.08 -3.36 -0.23 0.00 0.71 0.00 0.00 54.79 51.83 1aoy n ASP 39 Cb 0.44 -0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 1aoy n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1aoy n ASN 40 N -0.54 0.38 -3.71 -2.24 2.85 -1.26 -5.10 115.26 105.64 1aoy n ASN 40 Ca 0.40 -2.76 -0.14 0.00 -0.11 0.00 0.00 54.58 51.97 1aoy n ASN 40 Cb 1.30 -0.64 -0.09 0.00 1.24 0.00 0.00 39.78 41.59 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 -1.39 0.01 0.26 -1.44 -1.09 -1.26 -5.14 121.20 111.15 1aoy s ILE 41 Ca 0.36 -0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 1aoy s ILE 41 Cb 0.19 -0.66 -0.04 0.00 -1.58 0.00 0.00 42.46 40.37 1aoy s ILE 41 CO -0.10 -0.06 0.14 0.54 -1.23 0.00 0.00 174.94 174.23 1aoy s ASN 42 N -0.25 1.02 0.26 3.58 2.20 -1.26 -5.04 114.94 115.45 1aoy s ASN 42 Ca -0.04 -1.47 -0.04 0.00 -0.94 0.00 0.00 52.86 50.37 1aoy s ASN 42 Cb -0.03 0.33 0.32 0.00 -2.00 0.00 0.00 41.25 39.86 1aoy s ASN 42 CO 0.02 -0.84 1.88 -0.61 -2.94 0.00 0.00 177.10 174.61 1aoy h GLN 43 N 2.38 1.12 -0.36 3.55 4.15 -1.96 -1.83 115.11 122.16 1aoy h GLN 43 Ca -0.35 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 1aoy h GLN 43 Cb 1.25 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1aoy h GLN 43 CO 0.54 0.83 0.05 1.03 -1.93 0.00 0.00 178.83 179.35 1aoy h SER 44 N 1.12 0.50 -0.79 -0.69 0.87 -1.99 0.34 113.55 112.92 1aoy h SER 44 Ca 0.28 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1aoy h SER 44 Cb 0.05 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1aoy h SER 44 CO -0.04 0.54 0.30 0.50 -0.53 0.00 0.00 176.83 177.59 1aoy h LYS 45 N 0.53 1.19 -0.03 2.24 1.63 -1.76 -1.44 116.57 118.94 1aoy h LYS 45 Ca 0.12 -0.23 -0.12 0.00 -0.85 0.00 0.00 60.65 59.57 1aoy h LYS 45 Cb 0.26 -0.19 0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1aoy h LYS 45 CO 0.00 0.98 -0.45 0.28 -3.45 0.00 0.00 179.45 176.81 1aoy h VAL 46 N 1.16 1.45 -0.37 2.00 2.07 -0.76 -2.12 116.25 119.66 1aoy h VAL 46 Ca 0.26 -1.94 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 1aoy h VAL 46 Cb 0.24 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1aoy h VAL 46 CO -0.02 0.56 -0.00 0.77 0.02 0.00 0.00 177.57 178.90 1aoy h SER 47 N -0.18 0.55 -0.35 0.57 4.64 -0.95 0.71 113.55 118.55 1aoy h SER 47 Ca -0.05 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 1aoy h SER 47 Cb 1.15 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1aoy h SER 47 CO 0.09 0.62 -0.17 0.03 -0.87 0.00 0.00 176.83 176.54 1aoy h ARG 48 N 0.56 0.73 -0.14 4.77 3.08 -1.30 -2.49 114.38 119.58 1aoy h ARG 48 Ca 0.12 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 1aoy h ARG 48 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1aoy h ARG 48 CO 0.01 0.92 -0.37 0.52 -1.07 0.00 0.00 179.97 179.99 1aoy h MET 49 N 0.51 0.30 -0.52 0.04 2.86 -1.03 -0.03 114.93 117.05 1aoy h MET 49 Ca 0.08 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1aoy h MET 49 Cb 0.71 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1aoy h MET 49 CO 0.05 0.63 0.22 -0.07 1.06 0.00 0.00 176.91 178.80 1aoy h LEU 50 N 0.26 0.72 -0.21 1.22 3.38 -0.74 0.12 115.31 120.06 1aoy h LEU 50 Ca 0.03 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1aoy h LEU 50 Cb 0.77 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1aoy h LEU 50 CO 0.06 0.68 -0.32 0.74 0.09 0.00 0.00 178.44 179.69 1aoy h THR 51 N 0.71 1.33 0.11 0.22 2.02 -1.27 0.57 112.91 116.59 1aoy h THR 51 Ca 0.18 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 1aoy h THR 51 Cb 0.19 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1aoy h THR 51 CO -0.02 0.47 -0.06 0.50 0.37 0.00 0.00 175.52 176.79 1aoy h LYS 52 N 0.27 -0.15 0.00 6.66 3.11 -0.85 -2.14 116.57 123.48 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 0.90 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1aoy h LYS 52 CO 0.07 -0.10 0.00 1.19 -2.81 0.00 0.00 179.45 177.81 1aoy n PHE 53 N -5.16 0.00 -3.44 1.91 3.72 0.42 -4.92 117.46 109.99 1aoy n PHE 53 Ca -0.08 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.14 1aoy n PHE 53 Cb 0.09 -0.02 0.09 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.90 -0.37 3.78 1.37 0.00 -0.81 -4.81 105.19 105.26 1aoy n GLY 54 Ca 0.22 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.35 2.71 0.07 4.61 0.00 0.13 -4.44 121.76 121.49 1aoy s ALA 55 Ca 0.07 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1aoy s ALA 55 Cb -0.03 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1aoy s ALA 55 CO 0.72 -0.73 -0.18 0.14 0.00 0.00 0.00 175.76 175.71 1aoy s VAL 56 N -1.97 1.49 -0.19 0.00 -7.23 -0.08 -4.92 120.40 107.50 1aoy s VAL 56 Ca 0.70 -1.33 -0.21 0.00 -1.81 0.00 0.00 61.98 59.32 1aoy s VAL 56 Cb -0.21 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 1aoy s VAL 56 CO 0.28 -0.02 0.66 -0.13 -0.31 0.00 0.00 175.10 175.58 1aoy s ARG 57 N -1.58 4.23 0.07 4.82 0.52 -1.26 -0.22 118.95 125.54 1aoy s ARG 57 Ca 0.04 0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 55.86 1aoy s ARG 57 Cb -0.09 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 1aoy s ARG 57 CO 0.03 -0.23 0.14 -0.08 0.02 0.00 0.00 175.30 175.18 1aoy s THR 58 N 1.88 0.15 -0.06 0.02 -1.32 0.70 -4.92 115.64 112.09 1aoy s THR 58 Ca 0.30 -1.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.27 1aoy s THR 58 Cb -0.16 -1.23 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 1aoy s THR 58 CO 0.11 -0.67 1.11 -0.13 -2.21 0.00 0.00 174.62 172.83 1aoy s ARG 59 N -3.46 4.40 0.00 7.08 0.52 -1.26 -0.74 118.95 125.49 1aoy s ARG 59 Ca 0.02 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 1aoy s ARG 59 Cb 0.03 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.98 1aoy s ARG 59 CO -0.09 -0.35 0.00 0.27 0.02 0.00 0.00 175.30 175.15 1aoy n ASN 60 N 4.90 0.00 0.28 0.23 6.94 -0.53 -4.86 115.26 122.23 1aoy n ASN 60 Ca 0.10 -0.73 0.13 0.00 -0.02 0.00 0.00 54.58 54.06 1aoy n ASN 60 Cb 0.47 0.00 0.83 0.00 -2.36 0.00 0.00 39.78 38.72 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 -1.21 1.66 -0.63 -2.53 0.00 -1.90 -1.47 119.26 113.18 1aoy h ALA 61 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aoy h ALA 61 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aoy h ALA 61 CO 0.00 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1aoy n LYS 62 N -4.05 4.20 -1.58 0.00 5.02 -1.26 -4.93 118.16 115.55 1aoy n LYS 62 Ca -0.03 -3.01 -0.15 0.00 -2.02 0.00 0.00 58.31 53.10 1aoy n LYS 62 Cb 0.09 -2.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.01 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 0.96 -1.04 -3.48 1.97 2.81 -0.55 -5.00 117.12 112.80 1aoy n MET 63 Ca 0.27 0.95 -0.38 0.00 -1.81 0.00 0.00 57.70 56.74 1aoy n MET 63 Cb 1.02 -5.11 -0.06 0.00 -0.71 0.00 0.00 33.22 28.36 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 -3.52 4.06 -1.04 0.03 0.41 -1.26 -4.76 118.70 112.63 1aoy s GLU 64 Ca 0.00 0.34 -0.23 0.00 -0.41 0.00 0.00 54.97 54.68 1aoy s GLU 64 Cb 0.00 -3.31 0.01 0.00 -1.78 0.00 0.00 34.13 29.05 1aoy s GLU 64 CO 0.00 0.48 1.70 -1.64 -0.49 0.00 0.00 175.26 175.32 1aoy s MET 65 N -0.38 3.20 0.34 1.61 -1.94 -1.26 -1.45 119.30 119.41 1aoy s MET 65 Ca 0.23 -0.98 0.09 0.00 -1.71 0.00 0.00 55.69 53.31 1aoy s MET 65 Cb -0.15 -5.28 -0.05 0.00 2.01 0.00 0.00 34.83 31.36 1aoy s MET 65 CO 0.11 -2.78 0.04 0.14 -0.01 0.00 0.00 175.02 172.51 1aoy s VAL 66 N 7.17 2.75 0.19 -6.03 -7.23 0.08 -4.55 120.40 112.78 1aoy s VAL 66 Ca 0.57 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1aoy s VAL 66 Cb -0.02 -2.84 -0.08 0.00 0.56 0.00 0.00 36.38 34.00 1aoy s VAL 66 CO -0.02 -0.20 1.07 -0.31 -0.31 0.00 0.00 175.10 175.33 1aoy s TYR 67 N -2.49 3.64 0.22 2.82 2.02 0.19 -0.22 117.35 123.54 1aoy s TYR 67 Ca 0.35 1.65 0.00 0.00 -0.37 0.00 0.00 57.07 58.71 1aoy s TYR 67 Cb -0.01 -3.23 -0.04 0.00 -0.40 0.00 0.00 41.96 38.28 1aoy s TYR 67 CO 0.20 -0.44 0.15 0.00 -1.57 0.00 0.00 175.55 173.89 1aoy s LEU 69 N -3.20 3.01 0.00 0.00 2.96 -1.26 -0.91 118.68 119.29 1aoy s LEU 69 Ca 0.39 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1aoy s LEU 69 Cb 0.06 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.10 1aoy s LEU 69 CO 0.14 0.32 0.00 -2.65 -1.32 0.00 0.00 176.35 172.85 1aoy n PRO 70 N 2.48 2.74 0.00 0.98 -0.02 -1.26 -4.95 135.00 134.96 1aoy n PRO 70 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1aoy n PRO 70 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 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 -1.40 3.55 0.00 -1.26 -4.81 120.51 113.58 1aoy n ALA 71 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1aoy n ALA 71 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 2.04 -3.20 0.00 1.02 -1.26 -4.85 120.64 114.39 1aoy n GLU 72 Ca 0.00 -2.16 -0.46 0.00 -0.02 0.00 0.00 57.16 54.52 1aoy n GLU 72 Cb 0.00 -3.08 -0.02 0.00 -0.02 0.00 0.00 31.44 28.32 1aoy n GLU 72 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1aoy s LEU 73 N 1.77 6.21 0.00 -4.62 2.96 -1.26 -4.93 118.68 118.80 1aoy s LEU 73 Ca 0.54 -2.54 0.00 0.00 -0.22 0.00 0.00 54.13 51.91 1aoy s LEU 73 Cb 0.14 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1aoy s LEU 73 CO 0.04 -0.71 0.00 0.61 -1.32 0.00 0.00 176.35 174.97 1aoy n GLY 74 N 4.39 2.58 3.68 7.98 0.00 -1.26 -4.86 105.19 117.70 1aoy n GLY 74 Ca 0.18 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1aoy n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aoy n VAL 75 N -0.51 3.16 0.42 1.61 0.24 -1.26 -4.91 118.33 117.08 1aoy n VAL 75 Ca 0.00 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1aoy n VAL 75 Cb 0.00 -1.46 0.49 0.00 -1.47 0.00 0.00 33.84 31.40 1aoy n VAL 75 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1aoy n PRO 76 N -0.48 0.20 0.00 7.34 -0.04 -1.26 -3.29 135.00 137.47 1aoy n PRO 76 Ca 0.10 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1aoy n PRO 76 Cb 0.43 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.24 0.14 -1.58 0.52 5.66 -1.26 -5.32 114.28 110.20 1aoy n THR 77 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1aoy n THR 77 Cb 0.24 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37