#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 -2.25 0.00 0.03 5.12 -1.26 -3.38 116.66 114.92 1aoy n ARG 2 Ca 0.00 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 1aoy n ARG 2 Cb 0.00 -5.01 0.00 0.00 -1.16 0.00 0.00 32.46 26.29 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 -2.86 0.00 -1.12 0.55 7.64 -1.26 -2.06 113.62 114.51 1aoy n SER 3 Ca -0.08 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.77 1aoy n SER 3 Cb 0.60 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.84 1aoy n SER 3 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1aoy n SER 4 N 2.85 2.84 -0.02 6.43 7.64 -1.26 -4.02 113.62 128.08 1aoy n SER 4 Ca 0.00 -2.27 -0.03 0.00 1.01 0.00 0.00 58.87 57.58 1aoy n SER 4 Cb 0.00 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 1aoy n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aoy h ALA 5 N 1.95 -0.07 -2.53 -0.43 0.00 -1.62 -3.46 119.26 113.10 1aoy h ALA 5 Ca 0.09 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1aoy h ALA 5 Cb 1.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1aoy h ALA 5 CO 0.18 -0.07 -0.27 0.15 0.00 0.00 0.00 179.25 179.24 1aoy s LYS 6 N -1.94 3.58 -0.05 0.00 1.02 -1.22 -4.99 119.74 116.14 1aoy s LYS 6 Ca -0.04 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 55.78 1aoy s LYS 6 Cb -0.00 -2.78 0.08 0.00 -0.52 0.00 0.00 37.83 34.61 1aoy s LYS 6 CO 0.14 0.35 1.08 0.94 -0.92 0.00 0.00 175.35 176.95 1aoy n GLN 7 N -0.59 1.15 0.00 1.68 -0.06 -1.26 -3.95 117.38 114.35 1aoy n GLN 7 Ca -0.03 -0.34 0.14 0.00 -2.00 0.00 0.00 57.00 54.77 1aoy n GLN 7 Cb 0.53 -1.15 0.69 0.00 -4.06 0.00 0.00 30.24 26.25 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 0.30 0.38 0.06 3.69 1.02 -1.26 -3.51 120.64 121.32 1aoy n GLU 8 Ca 0.07 -0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.95 1aoy n GLU 8 Cb 0.62 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.09 0.35 -0.15 3.49 5.08 -1.84 -2.63 114.58 118.97 1aoy h GLU 9 Ca 0.00 -0.61 -0.05 0.00 -1.00 0.00 0.00 59.36 57.71 1aoy h GLU 9 Cb 0.34 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1aoy h GLU 9 CO 0.00 1.29 -0.13 1.25 -1.00 0.00 0.00 179.01 180.42 1aoy h LEU 10 N -0.15 0.23 -0.03 1.33 5.85 -1.89 0.17 115.31 120.83 1aoy h LEU 10 Ca -0.26 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1aoy h LEU 10 Cb 1.88 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1aoy h LEU 10 CO 0.15 0.38 -0.08 0.58 -0.34 0.00 0.00 178.44 179.13 1aoy h VAL 11 N 0.23 1.47 -0.16 1.05 2.07 -1.63 -0.04 116.25 119.23 1aoy h VAL 11 Ca 0.05 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 1aoy h VAL 11 Cb 0.37 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1aoy h VAL 11 CO 0.02 0.41 0.10 0.11 0.02 0.00 0.00 177.57 178.23 1aoy h LYS 12 N -0.47 0.22 -0.94 1.57 6.56 -1.33 -2.45 116.57 119.73 1aoy h LYS 12 Ca -0.00 -0.02 0.06 0.00 -1.06 0.00 0.00 60.65 59.63 1aoy h LYS 12 Cb 0.71 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 32.26 1aoy h LYS 12 CO 0.02 0.18 0.61 0.00 -2.06 0.00 0.00 179.45 178.20 1aoy h ALA 13 N 1.03 1.46 0.06 3.86 0.00 -1.02 -2.38 119.26 122.25 1aoy h ALA 13 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1aoy h ALA 13 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1aoy h ALA 13 CO -0.01 0.42 -0.12 0.35 0.00 0.00 0.00 179.25 179.88 1aoy h PHE 14 N 1.11 -0.32 -0.57 0.00 3.57 -0.53 -1.45 116.94 118.74 1aoy h PHE 14 Ca 0.40 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.92 1aoy h PHE 14 Cb 0.14 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1aoy h PHE 14 CO -0.00 -0.19 0.36 0.87 -2.23 0.00 0.00 178.31 177.12 1aoy h LYS 15 N -0.24 0.70 -0.25 1.11 6.56 -1.19 -2.81 116.57 120.44 1aoy h LYS 15 Ca 0.03 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1aoy h LYS 15 Cb 0.26 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 1aoy h LYS 15 CO -0.08 0.46 0.12 0.00 -2.06 0.00 0.00 179.45 177.89 1aoy h ALA 16 N 1.23 0.30 -0.65 3.86 0.00 -1.13 -0.62 119.26 122.25 1aoy h ALA 16 Ca 0.22 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1aoy h ALA 16 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1aoy h ALA 16 CO -0.08 -0.28 0.40 -0.07 0.00 0.00 0.00 179.25 179.22 1aoy h LEU 17 N 0.25 0.66 -0.05 0.00 3.38 -1.14 -2.81 115.31 115.61 1aoy h LEU 17 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1aoy h LEU 17 Cb 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1aoy h LEU 17 CO -0.07 0.46 -0.00 -0.07 0.09 0.00 0.00 178.44 178.84 1aoy h LEU 18 N 0.79 0.08 0.00 1.67 3.38 -1.30 -3.05 115.31 116.88 1aoy h LEU 18 Ca 0.26 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1aoy h LEU 18 Cb 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1aoy h LEU 18 CO -0.11 0.40 0.00 0.29 0.09 0.00 0.00 178.44 179.11 1aoy n LYS 19 N -4.87 0.38 0.02 1.13 5.02 -0.26 -1.53 118.16 118.07 1aoy n LYS 19 Ca -0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.33 1aoy n LYS 19 Cb 0.20 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1aoy n LYS 19 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1aoy n GLU 20 N -0.67 0.36 -3.02 1.97 -0.58 -1.08 -4.98 120.64 112.65 1aoy n GLU 20 Ca 0.03 -0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1aoy n GLU 20 Cb 0.01 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 1aoy n GLU 20 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1aoy n GLU 21 N -2.04 -1.28 0.02 3.49 1.02 -0.58 -4.98 120.64 116.28 1aoy n GLU 21 Ca 0.01 1.47 0.00 0.00 -0.02 0.00 0.00 57.16 58.62 1aoy n GLU 21 Cb 0.46 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 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 -1.75 0.00 -2.95 3.49 4.81 -1.26 -4.83 118.16 115.68 1aoy n LYS 22 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1aoy n LYS 22 Cb 0.50 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.50 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 -2.00 3.81 -0.31 5.64 0.08 -1.26 -4.91 117.98 119.03 1aoy s PHE 23 Ca 0.00 1.58 0.09 0.00 0.12 0.00 0.00 56.93 58.72 1aoy s PHE 23 Cb 0.00 -2.83 -0.11 0.00 -0.57 0.00 0.00 43.02 39.51 1aoy s PHE 23 CO 0.00 0.35 0.33 -1.13 -0.10 0.00 0.00 175.22 174.67 1aoy n SER 24 N 2.36 1.07 -4.18 1.36 3.41 -1.26 0.43 113.62 116.81 1aoy n SER 24 Ca -0.03 -0.52 -0.17 0.00 -0.26 0.00 0.00 58.87 57.88 1aoy n SER 24 Cb 0.49 1.11 -0.12 0.00 -0.26 0.00 0.00 64.21 65.44 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 -2.15 1.67 0.39 4.04 1.04 -1.26 -4.53 113.70 112.89 1aoy s SER 25 Ca 0.02 -0.68 0.27 0.00 0.48 0.00 0.00 55.95 56.03 1aoy s SER 25 Cb 0.06 -0.04 1.38 0.00 0.10 0.00 0.00 66.02 67.53 1aoy s SER 25 CO 0.37 -0.13 1.83 1.56 0.98 0.00 0.00 173.24 177.85 1aoy h GLN 26 N 4.03 0.00 0.16 4.02 7.50 -1.95 -2.38 115.11 126.49 1aoy h GLN 26 Ca -0.40 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 58.52 1aoy h GLN 26 Cb 1.19 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.74 1aoy h GLN 26 CO 0.44 0.00 -1.04 0.78 -1.50 0.00 0.00 178.83 177.52 1aoy h GLY 27 N 0.65 0.38 1.01 3.46 0.00 -1.95 -3.20 103.07 103.42 1aoy h GLY 27 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 47.33 46.36 1aoy h GLY 27 CO 0.00 0.86 0.60 0.83 0.00 0.00 0.00 176.54 178.83 1aoy h GLU 28 N -0.27 1.23 0.00 4.80 5.08 -1.85 -1.35 114.58 122.22 1aoy h GLU 28 Ca -0.19 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1aoy h GLU 28 Cb 1.76 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1aoy h GLU 28 CO 0.16 0.82 -0.12 0.97 -1.00 0.00 0.00 179.01 179.84 1aoy h ILE 29 N 1.26 0.35 0.00 3.13 2.10 -1.66 -2.08 117.51 120.61 1aoy h ILE 29 Ca 0.34 -0.78 -0.00 0.00 1.08 0.00 0.00 64.86 65.50 1aoy h ILE 29 Cb -0.13 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1aoy h ILE 29 CO -0.07 0.12 -0.00 0.58 -1.08 0.00 0.00 178.15 177.70 1aoy h VAL 30 N 0.00 1.29 -0.47 2.19 2.07 -1.24 -2.48 116.25 117.61 1aoy h VAL 30 Ca -0.00 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1aoy h VAL 30 Cb 0.57 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1aoy h VAL 30 CO 0.02 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.03 1aoy h ALA 31 N 0.61 1.46 -0.11 1.67 0.00 -1.25 -2.14 119.26 119.51 1aoy h ALA 31 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1aoy h ALA 31 Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1aoy h ALA 31 CO 0.00 0.41 0.04 0.00 0.00 0.00 0.00 179.25 179.70 1aoy h ALA 32 N 1.55 0.14 0.00 0.00 0.00 -1.32 -2.90 119.26 116.74 1aoy h ALA 32 Ca 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1aoy h ALA 32 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1aoy h ALA 32 CO -0.02 -0.27 -0.33 -0.07 0.00 0.00 0.00 179.25 178.57 1aoy h LEU 33 N 0.00 0.00 -0.98 0.00 3.38 -1.26 -2.26 115.31 114.20 1aoy h LEU 33 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1aoy h LEU 33 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1aoy h LEU 33 CO -0.00 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1aoy n GLN 34 N -4.13 0.19 -0.00 1.13 6.02 -0.82 -1.67 117.38 118.10 1aoy n GLN 34 Ca -0.02 0.50 0.09 0.00 -0.01 0.00 0.00 57.00 57.56 1aoy n GLN 34 Cb 0.37 -1.92 -0.11 0.00 1.02 0.00 0.00 30.24 29.60 1aoy n GLN 34 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1aoy n GLU 35 N -2.29 0.90 -0.04 -1.09 1.02 -0.87 -4.60 120.64 113.67 1aoy n GLU 35 Ca 0.01 -0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 56.96 1aoy n GLU 35 Cb 0.17 -1.38 -0.13 0.00 -0.02 0.00 0.00 31.44 30.09 1aoy n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1aoy h GLN 36 N 0.00 0.09 0.00 3.49 4.20 -1.09 -3.48 115.11 118.32 1aoy h GLN 36 Ca 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1aoy h GLN 36 Cb 0.53 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1aoy h GLN 36 CO 0.00 0.98 0.00 0.41 -0.67 0.00 0.00 178.83 179.55 1aoy n GLY 37 N 1.38 0.00 3.41 3.46 0.00 -1.19 -5.13 105.19 107.11 1aoy n GLY 37 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 1.71 -0.28 1.61 0.08 -1.24 -5.06 117.98 114.80 1aoy s PHE 38 Ca 0.00 -1.32 -0.22 0.00 0.12 0.00 0.00 56.93 55.51 1aoy s PHE 38 Cb 0.00 -1.00 0.10 0.00 -0.57 0.00 0.00 43.02 41.55 1aoy s PHE 38 CO 0.00 -0.42 0.85 0.34 -0.10 0.00 0.00 175.22 175.89 1aoy s ASP 39 N -3.47 -0.66 0.00 1.36 2.15 -1.26 -4.81 116.67 109.98 1aoy s ASP 39 Ca 0.32 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.48 1aoy s ASP 39 Cb 0.04 1.23 0.00 0.00 -0.30 0.00 0.00 42.92 43.89 1aoy s ASP 39 CO 0.17 -0.20 0.00 -3.20 -0.17 0.00 0.00 175.17 171.77 1aoy n ASN 40 N 3.04 -0.51 -4.41 -0.34 2.85 -1.26 -5.07 115.26 109.56 1aoy n ASN 40 Ca -0.15 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.91 1aoy n ASN 40 Cb 0.57 -0.25 -0.11 0.00 1.24 0.00 0.00 39.78 41.23 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 -2.01 4.74 0.37 -1.44 1.09 -1.26 -5.06 121.20 117.63 1aoy s ILE 41 Ca 0.00 -0.71 0.08 0.00 -1.10 0.00 0.00 60.65 58.92 1aoy s ILE 41 Cb 0.00 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.77 1aoy s ILE 41 CO 0.00 -0.18 0.19 0.54 -0.10 0.00 0.00 174.94 175.39 1aoy s ASN 42 N 1.60 4.68 0.39 3.58 2.20 -1.26 -4.98 114.94 121.14 1aoy s ASN 42 Ca 0.03 -0.85 0.07 0.00 -0.94 0.00 0.00 52.86 51.18 1aoy s ASN 42 Cb -0.19 -0.64 0.82 0.00 -2.00 0.00 0.00 41.25 39.24 1aoy s ASN 42 CO 0.07 -0.42 2.01 -0.61 -2.94 0.00 0.00 177.10 175.22 1aoy h GLN 43 N 1.44 0.62 -0.60 3.55 4.15 -1.96 -1.97 115.11 120.33 1aoy h GLN 43 Ca -0.43 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 58.91 1aoy h GLN 43 Cb 1.25 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1aoy h GLN 43 CO 0.64 0.41 0.20 0.77 -1.93 0.00 0.00 178.83 178.92 1aoy h SER 44 N 0.63 0.87 0.04 -0.69 0.02 -1.96 0.12 113.55 112.59 1aoy h SER 44 Ca 0.23 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1aoy h SER 44 Cb 0.14 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1aoy h SER 44 CO -0.06 0.84 -0.41 0.50 -1.14 0.00 0.00 176.83 176.56 1aoy h LYS 45 N 0.86 0.46 -0.15 3.45 3.64 -1.83 0.05 116.57 123.04 1aoy h LYS 45 Ca 0.20 -0.23 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1aoy h LYS 45 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1aoy h LYS 45 CO -0.01 0.79 -0.71 0.28 -2.27 0.00 0.00 179.45 177.54 1aoy h VAL 46 N 0.38 1.31 -0.05 2.00 2.07 -1.08 -0.62 116.25 120.27 1aoy h VAL 46 Ca 0.03 -1.97 -0.19 0.00 0.82 0.00 0.00 66.70 65.39 1aoy h VAL 46 Cb 0.88 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1aoy h VAL 46 CO 0.07 0.62 -0.78 0.77 0.02 0.00 0.00 177.57 178.27 1aoy h SER 47 N 0.46 0.40 -0.45 0.57 4.64 -0.69 -1.49 113.55 116.99 1aoy h SER 47 Ca -0.03 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 60.87 1aoy h SER 47 Cb 1.31 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1aoy h SER 47 CO 0.14 1.03 -0.24 0.03 -0.87 0.00 0.00 176.83 176.92 1aoy h ARG 48 N 0.21 0.96 -0.28 4.77 3.08 -0.96 -2.58 114.38 119.59 1aoy h ARG 48 Ca -0.04 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 1aoy h ARG 48 Cb 1.36 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1aoy h ARG 48 CO 0.13 1.10 -0.22 0.52 -1.07 0.00 0.00 179.97 180.43 1aoy h MET 49 N 0.81 0.52 -0.84 0.04 2.86 -1.06 -0.45 114.93 116.81 1aoy h MET 49 Ca 0.10 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1aoy h MET 49 Cb 0.82 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 1aoy h MET 49 CO 0.07 0.71 0.55 -0.07 1.06 0.00 0.00 176.91 179.23 1aoy h LEU 50 N 0.47 0.92 -0.16 1.22 3.38 -1.06 0.18 115.31 120.25 1aoy h LEU 50 Ca 0.07 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1aoy h LEU 50 Cb 0.64 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1aoy h LEU 50 CO 0.05 0.65 -0.37 0.74 0.09 0.00 0.00 178.44 179.59 1aoy h THR 51 N 1.08 1.35 0.40 0.22 2.02 -1.14 -0.15 112.91 116.68 1aoy h THR 51 Ca 0.32 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 1aoy h THR 51 Cb -0.04 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1aoy h THR 51 CO -0.10 0.50 -0.19 0.50 0.37 0.00 0.00 175.52 176.60 1aoy h LYS 52 N 0.19 -0.52 0.00 6.66 3.11 -0.72 -2.82 116.57 122.47 1aoy h LYS 52 Ca -0.00 0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1aoy h LYS 52 Cb 0.98 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 1aoy h LYS 52 CO 0.08 -0.33 -0.18 0.74 -2.81 0.00 0.00 179.45 176.96 1aoy h PHE 53 N -0.57 0.00 -3.37 1.91 0.04 -0.76 -3.48 116.94 110.71 1aoy h PHE 53 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1aoy h PHE 53 Cb 0.43 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.61 1aoy h PHE 53 CO -0.04 0.18 -0.15 0.41 -0.60 0.00 0.00 178.31 178.10 1aoy n GLY 54 N 0.27 0.52 3.81 -1.45 0.00 -0.22 -4.71 105.19 103.41 1aoy n GLY 54 Ca 0.01 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.07 3.05 -0.01 4.61 0.00 -0.34 -4.31 121.76 121.70 1aoy s ALA 55 Ca 0.08 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.53 1aoy s ALA 55 Cb -0.01 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1aoy s ALA 55 CO 0.13 0.08 -0.15 0.14 0.00 0.00 0.00 175.76 175.97 1aoy s VAL 56 N -2.05 1.16 0.04 0.00 -7.23 -0.15 -4.94 120.40 107.23 1aoy s VAL 56 Ca 0.61 -0.67 -0.21 0.00 -1.81 0.00 0.00 61.98 59.90 1aoy s VAL 56 Cb -0.12 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 1aoy s VAL 56 CO 0.16 0.30 0.61 -0.13 -0.31 0.00 0.00 175.10 175.73 1aoy s ARG 57 N -0.43 4.31 0.15 4.82 0.52 -1.26 -0.25 118.95 126.80 1aoy s ARG 57 Ca 0.05 0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 55.89 1aoy s ARG 57 Cb -0.06 -3.30 0.04 0.00 0.52 0.00 0.00 34.95 32.15 1aoy s ARG 57 CO -0.00 0.48 0.46 -0.08 0.02 0.00 0.00 175.30 176.18 1aoy s THR 58 N -0.62 0.05 -0.12 0.02 -1.32 -0.43 -4.88 115.64 108.34 1aoy s THR 58 Ca 0.31 -0.55 -0.29 0.00 -1.21 0.00 0.00 61.69 59.95 1aoy s THR 58 Cb -0.19 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.52 1aoy s THR 58 CO 0.19 -0.22 1.32 -0.13 -2.21 0.00 0.00 174.62 173.58 1aoy s ARG 59 N -3.82 4.24 0.00 7.08 0.52 -1.26 -0.69 118.95 125.03 1aoy s ARG 59 Ca 0.04 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 1aoy s ARG 59 Cb 0.01 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.72 1aoy s ARG 59 CO -0.10 -0.68 0.00 0.27 0.02 0.00 0.00 175.30 174.81 1aoy n ASN 60 N 6.39 0.00 0.32 0.23 6.94 -0.72 -4.81 115.26 123.61 1aoy n ASN 60 Ca 0.14 0.00 0.20 0.00 -0.02 0.00 0.00 54.58 54.90 1aoy n ASN 60 Cb 0.45 0.00 1.05 0.00 -2.36 0.00 0.00 39.78 38.91 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 -1.60 1.12 -0.35 -2.53 0.00 -1.90 -2.02 119.26 111.99 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 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1aoy n LYS 62 N -3.28 3.20 -1.07 0.00 5.02 -1.26 -4.96 118.16 115.82 1aoy n LYS 62 Ca -0.02 -2.73 -0.03 0.00 -2.02 0.00 0.00 58.31 53.51 1aoy n LYS 62 Cb 0.12 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 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 -0.04 -1.11 -3.20 1.97 2.81 -0.76 -4.99 117.12 111.80 1aoy n MET 63 Ca 0.20 0.43 -0.39 0.00 -1.81 0.00 0.00 57.70 56.13 1aoy n MET 63 Cb 0.83 -4.34 -0.06 0.00 -0.71 0.00 0.00 33.22 28.95 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 -1.56 4.33 -0.92 0.03 2.02 -1.26 -4.70 118.70 116.64 1aoy s GLU 64 Ca 0.00 0.71 -0.24 0.00 0.02 0.00 0.00 54.97 55.46 1aoy s GLU 64 Cb 0.00 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 1aoy s GLU 64 CO 0.00 0.29 1.76 -1.64 0.02 0.00 0.00 175.26 175.69 1aoy s MET 65 N 0.08 2.93 0.11 1.61 -1.94 -1.26 -1.75 119.30 119.09 1aoy s MET 65 Ca 0.31 -0.52 0.05 0.00 -1.71 0.00 0.00 55.69 53.82 1aoy s MET 65 Cb -0.18 -5.10 -0.04 0.00 2.01 0.00 0.00 34.83 31.52 1aoy s MET 65 CO 0.16 -2.92 0.00 0.14 -0.01 0.00 0.00 175.02 172.40 1aoy s VAL 66 N 8.19 3.96 -0.30 -6.03 -7.23 0.13 -4.56 120.40 114.56 1aoy s VAL 66 Ca 0.61 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 1aoy s VAL 66 Cb -0.05 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1aoy s VAL 66 CO -0.02 0.06 1.71 -0.31 -0.31 0.00 0.00 175.10 176.22 1aoy s TYR 67 N -1.42 1.95 0.44 2.82 2.02 0.17 -1.32 117.35 122.01 1aoy s TYR 67 Ca 0.26 0.59 0.06 0.00 -0.37 0.00 0.00 57.07 57.61 1aoy s TYR 67 Cb -0.11 -4.11 -0.05 0.00 -0.40 0.00 0.00 41.96 37.29 1aoy s TYR 67 CO 0.18 -2.88 0.09 0.00 -1.57 0.00 0.00 175.55 171.37 1aoy s LEU 69 N -3.84 3.20 0.00 0.00 2.96 -1.26 -0.97 118.68 118.77 1aoy s LEU 69 Ca 0.32 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1aoy s LEU 69 Cb 0.06 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.96 1aoy s LEU 69 CO 0.17 0.11 0.00 -2.65 -1.32 0.00 0.00 176.35 172.66 1aoy n PRO 70 N 3.90 2.44 -0.63 0.98 -0.02 -1.26 -4.94 135.00 135.48 1aoy n PRO 70 Ca -0.17 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 1aoy n PRO 70 Cb 0.52 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.19 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 -1.48 -1.85 3.55 0.00 -1.26 -4.79 120.51 111.69 1aoy n ALA 71 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.50 1aoy n ALA 71 Cb 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 1aoy n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1aoy s GLU 72 N -4.52 2.09 -1.28 0.00 0.41 -1.26 -4.85 118.70 109.29 1aoy s GLU 72 Ca 0.67 -0.14 -0.10 0.00 -0.41 0.00 0.00 54.97 54.99 1aoy s GLU 72 Cb -0.23 -4.98 0.16 0.00 -1.78 0.00 0.00 34.13 27.30 1aoy s GLU 72 CO 0.60 -4.02 1.82 -0.11 -0.49 0.00 0.00 175.26 173.06 1aoy n LEU 73 N 16.19 6.39 0.00 1.80 7.94 -1.26 -3.94 117.00 144.13 1aoy n LEU 73 Ca 0.43 -4.58 0.00 0.00 -1.11 0.00 0.00 56.01 50.75 1aoy n LEU 73 Cb 0.46 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1aoy n LEU 73 CO 0.59 1.24 0.00 0.61 -1.11 0.00 0.00 177.39 178.71 1aoy n GLY 74 N 3.12 0.25 2.70 -3.96 0.00 -1.26 -4.83 105.19 101.22 1aoy n GLY 74 Ca 0.40 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.25 1.22 -2.15 1.61 0.24 -1.25 -5.10 118.33 111.63 1aoy n VAL 75 Ca 0.00 -4.67 -0.42 0.00 -2.04 0.00 0.00 64.34 57.22 1aoy n VAL 75 Cb 0.00 -2.08 -0.03 0.00 -1.47 0.00 0.00 33.84 30.26 1aoy n VAL 75 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1aoy s PRO 76 N -1.40 4.33 -0.37 7.34 0.04 -1.26 -4.96 135.00 138.73 1aoy s PRO 76 Ca 0.29 2.12 0.13 0.00 0.04 0.00 0.00 61.00 63.58 1aoy s PRO 76 Cb 0.02 -3.20 0.40 0.00 0.04 0.00 0.00 34.50 31.76 1aoy s PRO 76 CO -0.14 -0.37 1.03 -2.37 0.04 0.00 0.00 177.00 175.19 1aoy n THR 77 N 3.16 0.40 -1.03 1.26 5.66 -1.26 -5.24 114.28 117.24 1aoy n THR 77 Ca 0.09 -2.78 0.00 0.00 -3.05 0.00 0.00 64.05 58.31 1aoy n THR 77 Cb 0.42 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 1aoy n THR 77 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37