#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 0.00 -3.68 3.17 0.00 -1.26 -4.58 116.66 110.31 1aoy n ARG 2 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 1aoy n ARG 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1aoy n ARG 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1aoy s SER 3 N 0.00 5.53 -0.55 6.15 0.01 -1.26 -5.05 113.70 118.53 1aoy s SER 3 Ca 0.00 -3.17 -0.27 0.00 1.31 0.00 0.00 55.95 53.82 1aoy s SER 3 Cb 0.00 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 1aoy s SER 3 CO 0.00 -0.31 1.70 -0.44 0.41 0.00 0.00 173.24 174.61 1aoy s SER 4 N 0.40 5.66 -0.50 2.44 0.01 -1.26 -4.95 113.70 115.48 1aoy s SER 4 Ca 0.21 0.48 -0.27 0.00 1.31 0.00 0.00 55.95 57.67 1aoy s SER 4 Cb -0.15 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1aoy s SER 4 CO -0.07 -2.05 1.05 0.00 0.41 0.00 0.00 173.24 172.58 1aoy s ALA 5 N 7.71 3.15 -0.41 1.44 0.00 -1.26 -5.01 121.76 127.37 1aoy s ALA 5 Ca 0.64 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1aoy s ALA 5 Cb -0.14 -3.81 0.02 0.00 0.00 0.00 0.00 23.12 19.19 1aoy s ALA 5 CO 0.24 -2.29 0.72 0.15 0.00 0.00 0.00 175.76 174.58 1aoy s LYS 6 N 4.24 3.49 0.15 0.00 3.01 -1.26 -4.94 119.74 124.43 1aoy s LYS 6 Ca 0.40 -0.06 0.21 0.00 -1.01 0.00 0.00 55.97 55.51 1aoy s LYS 6 Cb -0.09 -3.89 0.86 0.00 -1.01 0.00 0.00 37.83 33.70 1aoy s LYS 6 CO 0.27 -0.96 1.65 0.94 0.51 0.00 0.00 175.35 177.75 1aoy n GLN 7 N 6.42 0.12 0.00 1.68 -0.06 -1.26 -2.30 117.38 121.98 1aoy n GLN 7 Ca 0.01 0.31 0.08 0.00 -2.00 0.00 0.00 57.00 55.39 1aoy n GLN 7 Cb 0.48 -1.71 0.45 0.00 -4.06 0.00 0.00 30.24 25.40 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 -1.93 0.46 -0.02 3.69 0.00 -1.26 -1.88 120.64 119.69 1aoy n GLU 8 Ca 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 57.16 57.06 1aoy n GLU 8 Cb 0.24 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.04 1aoy n GLU 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1aoy n GLU 9 N -1.02 0.69 -0.08 3.44 1.02 -0.97 -2.22 120.64 121.50 1aoy n GLU 9 Ca 0.11 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.51 1aoy n GLU 9 Cb 0.06 -1.73 0.30 0.00 -0.02 0.00 0.00 31.44 30.05 1aoy n GLU 9 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1aoy h LEU 10 N 0.03 0.64 0.11 -4.62 5.85 -1.56 0.19 115.31 115.94 1aoy h LEU 10 Ca -0.38 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1aoy h LEU 10 Cb 2.03 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1aoy h LEU 10 CO 0.07 0.55 -0.05 0.58 -0.34 0.00 0.00 178.44 179.24 1aoy h VAL 11 N 0.71 0.80 -0.48 1.05 2.07 -1.67 -2.04 116.25 116.69 1aoy h VAL 11 Ca 0.18 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1aoy h VAL 11 Cb 0.08 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1aoy h VAL 11 CO -0.02 0.23 0.32 0.50 0.02 0.00 0.00 177.57 178.62 1aoy h LYS 12 N -0.94 0.38 -0.09 1.57 3.11 -1.36 -0.92 116.57 118.32 1aoy h LYS 12 Ca -0.02 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 1aoy h LYS 12 Cb 0.50 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1aoy h LYS 12 CO 0.03 0.25 -0.09 0.00 -2.81 0.00 0.00 179.45 176.83 1aoy h ALA 13 N 1.74 0.13 -0.07 5.00 0.00 -0.72 -2.44 119.26 122.89 1aoy h ALA 13 Ca 0.21 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1aoy h ALA 13 Cb 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1aoy h ALA 13 CO -0.05 -0.05 -0.48 0.35 0.00 0.00 0.00 179.25 179.02 1aoy h PHE 14 N -0.20 -1.40 -0.61 0.00 3.57 -0.44 0.15 116.94 117.99 1aoy h PHE 14 Ca 0.01 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.66 1aoy h PHE 14 Cb 0.60 0.62 -0.07 0.00 2.79 0.00 0.00 35.95 39.89 1aoy h PHE 14 CO 0.09 -0.53 0.22 0.87 -2.23 0.00 0.00 178.31 176.74 1aoy h LYS 15 N -0.58 0.39 -0.11 1.11 1.79 -1.33 -2.39 116.57 115.44 1aoy h LYS 15 Ca 0.04 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1aoy h LYS 15 Cb 0.68 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1aoy h LYS 15 CO -0.39 0.26 0.06 0.00 -1.08 0.00 0.00 179.45 178.31 1aoy h ALA 16 N 1.42 0.15 -0.61 3.86 0.00 -0.87 -1.65 119.26 121.56 1aoy h ALA 16 Ca 0.31 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.28 1aoy h ALA 16 Cb 0.39 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1aoy h ALA 16 CO -0.31 -0.32 0.18 -0.07 0.00 0.00 0.00 179.25 178.73 1aoy h LEU 17 N 0.10 0.11 0.34 0.00 3.38 -0.32 -1.36 115.31 117.56 1aoy h LEU 17 Ca 0.04 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1aoy h LEU 17 Cb 0.07 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1aoy h LEU 17 CO -0.01 0.06 -0.16 -0.07 0.09 0.00 0.00 178.44 178.35 1aoy h LEU 18 N 0.33 -0.39 -2.94 1.67 3.38 -1.32 -3.14 115.31 112.90 1aoy h LEU 18 Ca 0.32 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1aoy h LEU 18 Cb 0.44 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1aoy h LEU 18 CO -0.36 -0.11 0.00 0.11 0.09 0.00 0.00 178.44 178.17 1aoy h LYS 19 N -0.67 0.00 0.00 1.13 1.57 -0.94 0.07 116.57 117.73 1aoy h LYS 19 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1aoy h LYS 19 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1aoy h LYS 19 CO 0.08 0.00 -0.01 0.93 -0.57 0.00 0.00 179.45 179.87 1aoy h GLU 20 N 0.00 0.00 -5.19 3.15 5.08 -1.20 -3.47 114.58 112.95 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 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1aoy h GLU 20 CO 0.00 0.01 -0.14 0.39 -1.00 0.00 0.00 179.01 178.28 1aoy n GLU 21 N -3.10 -1.53 0.00 2.33 1.02 0.01 -5.00 120.64 114.37 1aoy n GLU 21 Ca 0.02 1.61 0.00 0.00 -0.02 0.00 0.00 57.16 58.77 1aoy n GLU 21 Cb 0.43 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 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 -1.30 0.00 -3.13 3.49 2.85 -1.26 -4.97 118.16 113.83 1aoy n LYS 22 Ca 0.03 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.90 1aoy n LYS 22 Cb 0.48 -0.48 -0.05 0.00 -0.65 0.00 0.00 35.03 34.32 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 -1.00 3.54 -0.12 5.58 0.08 -1.26 -4.94 117.98 119.86 1aoy s PHE 23 Ca 0.00 1.12 0.19 0.00 0.12 0.00 0.00 56.93 58.37 1aoy s PHE 23 Cb 0.00 -2.73 -0.26 0.00 -0.57 0.00 0.00 43.02 39.46 1aoy s PHE 23 CO 0.00 0.09 0.38 -1.13 -0.10 0.00 0.00 175.22 174.46 1aoy n SER 24 N 3.84 0.16 -4.37 1.36 3.41 -1.26 0.27 113.62 117.03 1aoy n SER 24 Ca -0.03 0.07 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 1aoy n SER 24 Cb 0.51 1.24 -0.10 0.00 -0.26 0.00 0.00 64.21 65.60 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 -5.15 2.30 0.06 4.04 1.04 -1.26 -4.51 113.70 110.21 1aoy s SER 25 Ca -0.08 -1.18 -0.31 0.00 0.48 0.00 0.00 55.95 54.86 1aoy s SER 25 Cb 0.10 -0.08 -0.18 0.00 0.10 0.00 0.00 66.02 65.95 1aoy s SER 25 CO 0.86 -0.40 1.53 1.56 0.98 0.00 0.00 173.24 177.76 1aoy h GLN 26 N 2.41 -0.78 -0.48 4.02 7.50 -1.97 -2.78 115.11 123.04 1aoy h GLN 26 Ca -0.39 0.05 0.14 0.00 0.50 0.00 0.00 58.65 58.95 1aoy h GLN 26 Cb 1.23 0.18 -0.02 0.00 0.05 0.00 0.00 27.48 28.91 1aoy h GLN 26 CO 0.66 -0.49 0.53 0.78 -1.50 0.00 0.00 178.83 178.81 1aoy h GLY 27 N -0.88 0.00 0.66 3.46 0.00 -1.95 0.61 103.07 104.96 1aoy h GLY 27 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1aoy h GLY 27 CO 0.14 0.00 -0.01 -2.09 0.00 0.00 0.00 176.54 174.57 1aoy h GLU 28 N 0.00 0.08 0.00 4.80 4.81 -1.91 -2.50 114.58 119.86 1aoy h GLU 28 Ca 0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1aoy h GLU 28 Cb 1.29 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1aoy h GLU 28 CO -0.00 0.44 0.00 0.97 -0.73 0.00 0.00 179.01 179.69 1aoy h ILE 29 N -0.27 0.00 0.37 2.32 2.10 -0.89 -2.37 117.51 118.77 1aoy h ILE 29 Ca 0.01 -0.82 -0.02 0.00 1.08 0.00 0.00 64.86 65.11 1aoy h ILE 29 Cb 0.41 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1aoy h ILE 29 CO 0.00 0.00 -0.18 0.58 -1.08 0.00 0.00 178.15 177.48 1aoy h VAL 30 N 0.00 0.64 -0.21 2.19 2.07 -0.96 -1.90 116.25 118.08 1aoy h VAL 30 Ca 0.00 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1aoy h VAL 30 Cb 0.83 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1aoy h VAL 30 CO 0.00 0.05 -0.12 0.00 0.02 0.00 0.00 177.57 177.52 1aoy h ALA 31 N -0.06 1.40 -0.02 1.67 0.00 -1.43 -2.35 119.26 118.47 1aoy h ALA 31 Ca -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1aoy h ALA 31 Cb 0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1aoy h ALA 31 CO 0.08 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.76 1aoy h ALA 32 N 1.56 0.03 0.00 0.00 0.00 -1.22 -1.88 119.26 117.75 1aoy h ALA 32 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1aoy h ALA 32 Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1aoy h ALA 32 CO 0.02 -0.45 -0.44 -0.07 0.00 0.00 0.00 179.25 178.31 1aoy h LEU 33 N -0.00 0.00 -0.70 0.00 3.38 -1.25 -1.93 115.31 114.81 1aoy h LEU 33 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1aoy h LEU 33 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1aoy h LEU 33 CO -0.00 0.44 0.33 1.56 0.09 0.00 0.00 178.44 180.86 1aoy h GLN 34 N 0.00 1.01 -0.08 1.13 4.20 -1.10 -2.44 115.11 117.83 1aoy h GLN 34 Ca -0.00 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 1aoy h GLN 34 Cb 0.85 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1aoy h GLN 34 CO 0.06 0.80 -0.60 0.93 -0.67 0.00 0.00 178.83 179.35 1aoy h GLU 35 N 0.97 0.28 0.70 1.46 5.08 -1.14 -3.33 114.58 118.60 1aoy h GLU 35 Ca 0.24 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1aoy h GLU 35 Cb 0.13 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1aoy h GLU 35 CO -0.03 0.79 -0.40 1.96 -1.00 0.00 0.00 179.01 180.33 1aoy h GLN 36 N 0.21 -0.99 0.00 2.33 1.08 -0.90 -3.46 115.11 113.37 1aoy h GLN 36 Ca -0.00 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1aoy h GLN 36 Cb 1.10 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1aoy h GLN 36 CO 0.09 -0.66 0.00 0.41 -0.95 0.00 0.00 178.83 177.73 1aoy n GLY 37 N -1.52 0.00 3.35 3.46 0.00 -0.96 -5.11 105.19 104.40 1aoy n GLY 37 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 2.34 -0.04 1.61 0.08 -0.96 -5.06 117.98 115.95 1aoy s PHE 38 Ca 0.00 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.65 1aoy s PHE 38 Cb 0.00 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1aoy s PHE 38 CO 0.00 0.12 -0.03 0.34 -0.10 0.00 0.00 175.22 175.55 1aoy s ASP 39 N -1.20 0.85 0.00 1.36 2.15 -1.26 -4.24 116.67 114.32 1aoy s ASP 39 Ca 0.12 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.00 1aoy s ASP 39 Cb -0.10 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.13 1aoy s ASP 39 CO 0.02 -0.07 0.00 -3.20 -0.17 0.00 0.00 175.17 171.75 1aoy n ASN 40 N 4.13 0.00 -4.55 -0.34 5.15 -1.26 -5.09 115.26 113.29 1aoy n ASN 40 Ca -0.24 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.35 1aoy n ASN 40 Cb 0.51 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.65 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 -2.00 5.24 0.21 -1.44 1.09 -1.26 -4.99 121.20 118.05 1aoy s ILE 41 Ca 0.00 -0.04 0.02 0.00 -1.10 0.00 0.00 60.65 59.54 1aoy s ILE 41 Cb 0.00 -3.59 -0.01 0.00 -1.06 0.00 0.00 42.46 37.81 1aoy s ILE 41 CO 0.00 0.13 0.08 -0.46 -0.10 0.00 0.00 174.94 174.59 1aoy n ASN 42 N 5.07 1.04 -0.03 3.58 0.23 -1.26 -4.91 115.26 118.98 1aoy n ASN 42 Ca -0.13 -2.11 -0.09 0.00 -0.53 0.00 0.00 54.58 51.72 1aoy n ASN 42 Cb 0.51 0.54 -0.03 0.00 -2.08 0.00 0.00 39.78 38.72 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 -0.05 -0.53 -3.83 5.75 -1.97 -2.24 115.11 112.24 1aoy h GLN 43 Ca -0.16 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1aoy h GLN 43 Cb 0.62 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 1aoy h GLN 43 CO 0.25 -0.03 0.24 0.77 -2.65 0.00 0.00 178.83 177.42 1aoy h SER 44 N -0.05 0.32 -0.76 -0.69 0.02 -1.98 0.28 113.55 110.68 1aoy h SER 44 Ca 0.10 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 1aoy h SER 44 Cb 0.20 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.65 1aoy h SER 44 CO -0.22 0.22 0.39 0.50 -1.14 0.00 0.00 176.83 176.58 1aoy h LYS 45 N 0.47 0.62 0.08 3.45 3.11 -1.87 0.10 116.57 122.53 1aoy h LYS 45 Ca 0.25 -0.04 -0.17 0.00 -2.81 0.00 0.00 60.65 57.88 1aoy h LYS 45 Cb 0.20 -0.14 0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1aoy h LYS 45 CO -0.20 0.41 -0.71 0.28 -2.81 0.00 0.00 179.45 176.42 1aoy h VAL 46 N 0.64 1.48 -0.19 2.00 2.07 -0.74 -2.60 116.25 118.91 1aoy h VAL 46 Ca 0.38 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.51 1aoy h VAL 46 Cb 0.43 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1aoy h VAL 46 CO -0.29 0.67 -0.16 0.77 0.02 0.00 0.00 177.57 178.58 1aoy h SER 47 N -0.27 0.31 -0.01 0.57 4.64 -0.36 -0.52 113.55 117.91 1aoy h SER 47 Ca -0.11 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1aoy h SER 47 Cb 1.49 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1aoy h SER 47 CO 0.14 0.49 -0.01 0.03 -0.87 0.00 0.00 176.83 176.61 1aoy h ARG 48 N 0.30 0.02 -0.36 4.77 3.08 -1.05 -2.72 114.38 118.41 1aoy h ARG 48 Ca 0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1aoy h ARG 48 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1aoy h ARG 48 CO 0.03 0.48 0.05 0.52 -1.07 0.00 0.00 179.97 179.98 1aoy h MET 49 N -0.44 0.54 -0.05 0.04 2.86 -1.28 0.69 114.93 117.28 1aoy h MET 49 Ca 0.00 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1aoy h MET 49 Cb 0.47 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1aoy h MET 49 CO 0.00 0.53 0.03 -0.07 1.06 0.00 0.00 176.91 178.46 1aoy h LEU 50 N 0.53 0.07 -0.45 1.22 3.38 -1.08 0.63 115.31 119.61 1aoy h LEU 50 Ca 0.12 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1aoy h LEU 50 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1aoy h LEU 50 CO 0.00 0.17 -0.22 0.74 0.09 0.00 0.00 178.44 179.22 1aoy h THR 51 N -0.03 1.27 -0.08 0.22 2.02 -1.30 -0.78 112.91 114.24 1aoy h THR 51 Ca 0.02 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1aoy h THR 51 Cb 0.12 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1aoy h THR 51 CO -0.00 0.47 0.05 0.50 0.37 0.00 0.00 175.52 176.91 1aoy h LYS 52 N 0.78 0.10 0.00 6.66 3.64 -0.73 -2.95 116.57 124.06 1aoy h LYS 52 Ca 0.10 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1aoy h LYS 52 Cb 0.79 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1aoy h LYS 52 CO 0.07 0.09 -0.23 0.74 -2.27 0.00 0.00 179.45 177.85 1aoy h PHE 53 N 0.08 0.00 -2.78 1.91 0.04 -0.91 -3.49 116.94 111.81 1aoy h PHE 53 Ca 0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1aoy h PHE 53 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1aoy h PHE 53 CO -0.07 0.23 -0.01 0.41 -0.60 0.00 0.00 178.31 178.27 1aoy n GLY 54 N 1.06 0.79 3.82 -1.45 0.00 -0.38 -4.81 105.19 104.23 1aoy n GLY 54 Ca 0.03 -0.32 -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 -3.00 2.92 -0.01 4.61 0.00 -0.74 -4.49 121.76 121.05 1aoy s ALA 55 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1aoy s ALA 55 Cb -0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1aoy s ALA 55 CO 0.00 -0.44 -0.14 0.14 0.00 0.00 0.00 175.76 175.32 1aoy s VAL 56 N -2.47 1.12 -0.20 0.00 -7.23 0.44 -4.94 120.40 107.12 1aoy s VAL 56 Ca 0.62 -0.60 -0.21 0.00 -1.81 0.00 0.00 61.98 59.98 1aoy s VAL 56 Cb -0.13 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1aoy s VAL 56 CO 0.31 0.32 0.63 -0.13 -0.31 0.00 0.00 175.10 175.92 1aoy s ARG 57 N -0.26 4.21 0.12 4.82 0.52 -1.26 0.32 118.95 127.42 1aoy s ARG 57 Ca 0.04 0.62 0.05 0.00 -0.52 0.00 0.00 55.73 55.91 1aoy s ARG 57 Cb -0.06 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1aoy s ARG 57 CO -0.00 -0.24 -0.11 0.95 0.02 0.00 0.00 175.30 175.92 1aoy s THR 58 N 1.89 1.13 -0.03 0.02 -4.23 0.33 -4.87 115.64 109.89 1aoy s THR 58 Ca 0.29 -1.79 -0.30 0.00 -1.18 0.00 0.00 61.69 58.70 1aoy s THR 58 Cb -0.16 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 1aoy s THR 58 CO 0.10 -0.57 0.99 -0.13 -0.54 0.00 0.00 174.62 174.47 1aoy s ARG 59 N -3.05 4.52 0.00 3.99 0.52 -1.26 -0.61 118.95 123.06 1aoy s ARG 59 Ca 0.10 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.73 1aoy s ARG 59 Cb -0.02 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 31.97 1aoy s ARG 59 CO 0.01 -0.13 0.00 0.27 0.02 0.00 0.00 175.30 175.47 1aoy n ASN 60 N 4.23 0.00 -0.32 0.23 6.94 -0.28 -4.88 115.26 121.18 1aoy n ASN 60 Ca 0.07 -0.75 0.10 0.00 -0.02 0.00 0.00 54.58 53.98 1aoy n ASN 60 Cb 0.50 0.00 0.32 0.00 -2.36 0.00 0.00 39.78 38.24 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 -0.81 1.69 -0.90 -2.53 0.00 -1.94 -1.95 119.26 112.81 1aoy h ALA 61 Ca 0.00 0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.45 1aoy h ALA 61 Cb 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 17.79 17.36 1aoy h ALA 61 CO 0.00 0.05 0.56 1.63 0.00 0.00 0.00 179.25 181.48 1aoy n LYS 62 N -4.60 2.23 -1.41 0.00 5.02 -1.26 -4.92 118.16 113.23 1aoy n LYS 62 Ca 0.19 -3.07 -0.14 0.00 -2.02 0.00 0.00 58.31 53.27 1aoy n LYS 62 Cb 0.44 -2.14 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.13 -1.26 -3.19 1.97 2.81 -0.73 -4.98 117.12 110.62 1aoy n MET 63 Ca 0.56 0.98 -0.39 0.00 -1.81 0.00 0.00 57.70 57.03 1aoy n MET 63 Cb 1.50 -5.19 -0.06 0.00 -0.71 0.00 0.00 33.22 28.76 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 -3.12 4.25 -0.57 0.03 2.02 -1.26 -4.74 118.70 115.32 1aoy s GLU 64 Ca 0.00 0.54 -0.28 0.00 0.02 0.00 0.00 54.97 55.25 1aoy s GLU 64 Cb 0.00 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.71 1aoy s GLU 64 CO 0.00 -0.12 1.30 -1.64 0.02 0.00 0.00 175.26 174.82 1aoy s MET 65 N 1.51 3.42 0.17 1.61 -1.94 -1.26 -1.12 119.30 121.69 1aoy s MET 65 Ca 0.27 0.36 0.08 0.00 -1.71 0.00 0.00 55.69 54.70 1aoy s MET 65 Cb -0.16 -4.06 -0.04 0.00 2.01 0.00 0.00 34.83 32.58 1aoy s MET 65 CO 0.11 -1.79 -0.17 0.14 -0.01 0.00 0.00 175.02 173.29 1aoy s VAL 66 N 5.46 1.75 0.23 -6.03 -7.23 0.22 -4.65 120.40 110.14 1aoy s VAL 66 Ca 0.48 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1aoy s VAL 66 Cb -0.09 -1.84 -0.10 0.00 0.56 0.00 0.00 36.38 34.91 1aoy s VAL 66 CO 0.25 -0.37 1.45 -0.31 -0.31 0.00 0.00 175.10 175.81 1aoy s TYR 67 N -2.21 3.05 0.20 2.82 2.02 0.14 -0.51 117.35 122.85 1aoy s TYR 67 Ca 0.16 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 57.82 1aoy s TYR 67 Cb -0.05 -3.82 -0.04 0.00 -0.40 0.00 0.00 41.96 37.66 1aoy s TYR 67 CO 0.06 -2.72 0.14 0.00 -1.57 0.00 0.00 175.55 171.46 1aoy s LEU 69 N -3.15 2.90 0.00 0.00 2.96 -1.26 -0.42 118.68 119.71 1aoy s LEU 69 Ca 0.37 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1aoy s LEU 69 Cb 0.07 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.13 1aoy s LEU 69 CO 0.11 0.30 0.00 -0.81 -1.32 0.00 0.00 176.35 174.63 1aoy n PRO 70 N 2.61 1.43 -1.68 0.98 -0.04 -1.26 -4.86 135.00 132.18 1aoy n PRO 70 Ca -0.18 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.83 1aoy n PRO 70 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 1.60 -1.15 0.55 0.00 -1.26 -4.71 120.51 112.55 1aoy n ALA 71 Ca 0.00 0.36 -0.46 0.00 0.00 0.00 0.00 53.44 53.34 1aoy n ALA 71 Cb 0.00 -2.48 -0.11 0.00 0.00 0.00 0.00 19.45 16.86 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 5.02 0.00 -3.46 0.00 1.02 -1.26 -4.87 120.64 117.09 1aoy n GLU 72 Ca 0.19 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.90 1aoy n GLU 72 Cb 0.32 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 30.39 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 6.01 5.95 0.00 -4.62 0.20 -1.26 -4.80 118.68 120.15 1aoy s LEU 73 Ca 1.08 -1.98 0.00 0.00 0.69 0.00 0.00 54.13 53.91 1aoy s LEU 73 Cb -1.22 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 42.45 1aoy s LEU 73 CO 0.52 -0.73 0.00 0.61 -0.29 0.00 0.00 176.35 176.46 1aoy n GLY 74 N 4.88 -0.07 0.10 7.98 0.00 -1.26 -4.96 105.19 111.85 1aoy n GLY 74 Ca -0.07 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1aoy n GLY 74 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1aoy n VAL 75 N 0.00 1.49 0.32 1.61 3.14 -1.26 -4.50 118.33 119.13 1aoy n VAL 75 Ca 0.00 0.03 0.21 0.00 -2.96 0.00 0.00 64.34 61.62 1aoy n VAL 75 Cb 0.00 -2.22 1.10 0.00 -1.06 0.00 0.00 33.84 31.66 1aoy n VAL 75 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1aoy h PRO 76 N -1.00 0.00 -3.19 1.45 0.13 -2.02 -3.44 132.00 123.93 1aoy h PRO 76 Ca -0.19 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1aoy h PRO 76 Cb 1.04 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 1aoy h PRO 76 CO -0.12 0.00 0.12 -0.08 -0.23 0.00 0.00 178.00 177.70 1aoy s THR 77 N -4.08 0.00 -2.49 1.56 -1.32 -1.26 -5.34 115.64 102.71 1aoy s THR 77 Ca -0.04 -1.03 0.28 0.00 -1.21 0.00 0.00 61.69 59.69 1aoy s THR 77 Cb 0.12 -1.96 0.56 0.00 -1.51 0.00 0.00 72.50 69.71 1aoy s THR 77 CO 0.45 -0.01 1.75 0.35 -2.21 0.00 0.00 174.62 174.95