#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ner n SER 2 N 0.00 -0.37 -4.74 0.00 2.88 -1.26 -5.13 113.62 105.00 1ner n SER 2 Ca 0.00 0.10 -0.33 0.00 -1.33 0.00 0.00 58.87 57.31 1ner n SER 2 Cb 0.00 0.63 0.08 0.00 -0.75 0.00 0.00 64.21 64.17 1ner n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ner s ASN 3 N -2.00 4.53 -0.11 -3.46 0.01 -1.26 -4.96 114.94 107.69 1ner s ASN 3 Ca 0.00 2.18 0.13 0.00 -0.71 0.00 0.00 52.86 54.46 1ner s ASN 3 Cb 0.00 -2.57 -0.18 0.00 0.41 0.00 0.00 41.25 38.91 1ner s ASN 3 CO 0.00 -2.03 0.10 -1.84 -1.51 0.00 0.00 177.10 171.82 1ner n GLU 4 N -2.68 1.52 -1.79 -0.60 0.28 -1.26 -4.98 120.64 111.13 1ner n GLU 4 Ca 0.12 -0.03 -0.37 0.00 -0.16 0.00 0.00 57.16 56.72 1ner n GLU 4 Cb 0.51 -1.35 0.06 0.00 1.43 0.00 0.00 31.44 32.09 1ner n GLU 4 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1ner s LYS 5 N -2.46 2.66 0.00 3.44 1.02 -1.26 -4.81 119.74 118.33 1ner s LYS 5 Ca -0.06 2.04 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1ner s LYS 5 Cb 0.05 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1ner s LYS 5 CO 0.57 -1.51 0.00 0.00 -0.92 0.00 0.00 175.35 173.49 1ner n ALA 6 N -1.79 0.00 -2.25 5.17 0.00 -1.26 -5.15 120.51 115.23 1ner n ALA 6 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ner n ALA 6 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1ner n ALA 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ner n ARG 7 N -1.38 0.97 0.00 0.00 5.12 -1.26 -4.99 116.66 115.12 1ner n ARG 7 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ner n ARG 7 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ner n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ner n ASP 8 N -2.48 0.00 -4.58 0.55 9.92 -1.26 -4.58 116.55 114.12 1ner n ASP 8 Ca 0.00 0.36 -0.41 0.00 -0.53 0.00 0.00 54.79 54.21 1ner n ASP 8 Cb 0.00 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.22 1ner n ASP 8 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1ner s TRP 9 N -0.83 1.78 1.25 1.24 0.52 -1.21 -4.97 118.94 116.73 1ner s TRP 9 Ca 0.00 0.72 -0.15 0.00 0.02 0.00 0.00 56.10 56.70 1ner s TRP 9 Cb 0.00 -4.12 0.32 0.00 -1.15 0.00 0.00 33.47 28.52 1ner s TRP 9 CO 0.00 -2.55 0.99 -1.01 0.02 0.00 0.00 176.95 174.40 1ner s HIS 10 N 7.88 0.90 0.57 -1.98 3.76 -1.26 -4.65 115.29 120.52 1ner s HIS 10 Ca 0.72 1.07 0.27 0.00 -0.15 0.00 0.00 55.06 56.98 1ner s HIS 10 Cb -0.17 -3.02 1.54 0.00 1.11 0.00 0.00 32.58 32.04 1ner s HIS 10 CO 0.27 -4.28 2.04 0.00 -0.85 0.00 0.00 174.74 171.92 1ner h ARG 11 N -2.92 0.00 0.00 1.40 3.08 -1.94 0.12 114.38 114.12 1ner h ARG 11 Ca -0.61 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.26 1ner h ARG 11 Cb 1.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 1ner h ARG 11 CO 0.47 0.00 -1.19 0.00 -1.07 0.00 0.00 179.97 178.18 1ner h ALA 12 N 1.71 0.63 0.00 0.04 0.00 -1.99 -3.17 119.26 116.49 1ner h ALA 12 Ca 0.15 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1ner h ALA 12 Cb 0.73 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ner h ALA 12 CO -0.00 1.02 0.00 -0.44 0.00 0.00 0.00 179.25 179.82 1ner h ASP 13 N 0.00 0.00 0.02 0.00 5.19 -1.04 1.08 116.42 121.66 1ner h ASP 13 Ca -0.12 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1ner h ASP 13 Cb 1.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1ner h ASP 13 CO 0.07 0.00 -0.01 0.58 -3.12 0.00 0.00 179.24 176.76 1ner h VAL 14 N 0.00 0.00 0.01 -1.35 2.07 -1.46 -2.57 116.25 112.95 1ner h VAL 14 Ca 0.00 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1ner h VAL 14 Cb 0.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1ner h VAL 14 CO 0.00 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.98 1ner h ILE 15 N -0.85 1.41 -0.55 4.57 2.04 -1.51 -0.43 117.51 122.18 1ner h ILE 15 Ca -0.00 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.61 1ner h ILE 15 Cb 0.02 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1ner h ILE 15 CO 0.00 0.33 0.26 0.00 0.00 0.00 0.00 178.15 178.74 1ner h ALA 16 N 0.38 0.71 0.41 1.87 0.00 0.10 1.00 119.26 123.73 1ner h ALA 16 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ner h ALA 16 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ner h ALA 16 CO 0.00 -0.11 -0.19 0.78 0.00 0.00 0.00 179.25 179.73 1ner h GLY 17 N 0.48 -0.57 0.71 0.00 0.00 -1.45 -1.75 103.07 100.49 1ner h GLY 17 Ca 0.25 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1ner h GLY 17 CO -0.20 -0.21 -0.12 1.41 0.00 0.00 0.00 176.54 177.42 1ner h LEU 18 N -0.84 -0.29 -1.29 3.11 3.38 -0.91 -2.36 115.31 116.11 1ner h LEU 18 Ca -0.06 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ner h LEU 18 Cb 0.55 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ner h LEU 18 CO 0.09 0.03 0.15 0.50 0.09 0.00 0.00 178.44 179.30 1ner h LYS 19 N -0.64 0.00 -0.20 1.13 3.64 0.99 0.18 116.57 121.68 1ner h LYS 19 Ca -0.04 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1ner h LYS 19 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1ner h LYS 19 CO 0.06 0.00 0.22 -0.22 -2.27 0.00 0.00 179.45 177.23 1ner h LYS 20 N 0.00 0.00 0.00 1.90 1.63 -0.74 -3.33 116.57 116.03 1ner h LYS 20 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ner h LYS 20 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1ner h LYS 20 CO 0.00 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.54 1ner n ARG 21 N -3.80 0.00 -2.81 1.90 1.74 0.05 -5.00 116.66 108.74 1ner n ARG 21 Ca 0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.99 1ner n ARG 21 Cb 0.34 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.85 1ner n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ner n LYS 22 N 0.00 1.05 -4.27 5.56 5.02 -1.25 -5.13 118.16 119.14 1ner n LYS 22 Ca 0.00 -2.29 -0.22 0.00 -2.02 0.00 0.00 58.31 53.77 1ner n LYS 22 Cb 0.00 -0.99 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 1ner n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ner s LEU 23 N -2.54 2.33 -0.16 -0.35 1.43 -1.25 -5.00 118.68 113.14 1ner s LEU 23 Ca 0.26 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1ner s LEU 23 Cb 0.34 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.81 1ner s LEU 23 CO -0.06 0.01 0.37 -0.94 0.23 0.00 0.00 176.35 175.97 1ner s SER 24 N -2.04 -0.40 0.62 2.29 1.04 -1.26 -3.63 113.70 110.32 1ner s SER 24 Ca 0.07 0.81 0.23 0.00 0.48 0.00 0.00 55.95 57.54 1ner s SER 24 Cb -0.09 0.75 1.01 0.00 0.10 0.00 0.00 66.02 67.79 1ner s SER 24 CO 0.04 -0.19 1.50 -0.07 0.98 0.00 0.00 173.24 175.50 1ner h LEU 25 N 7.29 0.00 -0.07 2.42 3.38 -1.98 1.12 115.31 127.47 1ner h LEU 25 Ca -0.35 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.39 1ner h LEU 25 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ner h LEU 25 CO 0.29 0.00 -1.05 0.77 0.09 0.00 0.00 178.44 178.54 1ner h SER 26 N 0.00 0.41 0.01 -0.43 4.64 -1.94 -2.87 113.55 113.37 1ner h SER 26 Ca 0.25 -0.38 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 1ner h SER 26 Cb 1.94 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.91 1ner h SER 26 CO -0.00 1.22 -0.43 0.00 -0.87 0.00 0.00 176.83 176.74 1ner h ALA 27 N 0.74 0.05 0.00 5.18 0.00 0.87 -2.91 119.26 123.18 1ner h ALA 27 Ca -0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ner h ALA 27 Cb 1.72 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1ner h ALA 27 CO 0.17 0.22 -0.01 -0.07 0.00 0.00 0.00 179.25 179.57 1ner h LEU 28 N -0.32 0.00 0.30 0.00 4.07 -1.47 -0.28 115.31 117.62 1ner h LEU 28 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1ner h LEU 28 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1ner h LEU 28 CO 0.09 0.01 -0.15 0.77 -1.08 0.00 0.00 178.44 178.08 1ner h SER 29 N 0.00 -0.35 0.91 -0.43 4.64 -1.42 -3.16 113.55 113.75 1ner h SER 29 Ca -0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1ner h SER 29 Cb 0.02 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ner h SER 29 CO 0.00 0.10 0.00 0.08 -0.87 0.00 0.00 176.83 176.14 1ner h ARG 30 N -0.91 0.00 -0.31 4.77 0.11 -1.27 -0.83 114.38 115.93 1ner h ARG 30 Ca -0.04 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.94 1ner h ARG 30 Cb 0.51 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 1ner h ARG 30 CO 0.07 0.00 -0.22 1.96 0.10 0.00 0.00 179.97 181.88 1ner h GLN 31 N 0.00 0.60 0.00 0.08 4.20 -1.03 -3.26 115.11 115.70 1ner h GLN 31 Ca 0.00 -0.22 -0.14 0.00 0.06 0.00 0.00 58.65 58.35 1ner h GLN 31 Cb 0.45 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1ner h GLN 31 CO 0.00 0.77 -1.97 1.19 -0.67 0.00 0.00 178.83 178.15 1ner n PHE 32 N -4.13 0.00 0.00 2.96 3.01 -1.11 -5.03 117.46 113.16 1ner n PHE 32 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ner n PHE 32 Cb 0.40 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1ner n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ner n GLY 33 N 1.70 3.60 3.62 1.37 0.00 -0.33 -5.08 105.19 110.06 1ner n GLY 33 Ca -0.14 -0.93 -0.55 0.00 0.00 0.00 0.00 46.02 44.39 1ner n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ner n TYR 34 N 0.00 1.59 -0.72 1.61 4.01 -1.19 -4.72 117.16 117.75 1ner n TYR 34 Ca 0.00 0.67 -0.32 0.00 -0.16 0.00 0.00 57.90 58.09 1ner n TYR 34 Cb 0.00 -2.34 0.15 0.00 -0.31 0.00 0.00 39.34 36.84 1ner n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ner n ALA 35 N 3.31 -3.07 0.23 -0.72 0.00 -1.26 -4.01 120.51 114.98 1ner n ALA 35 Ca 0.21 -0.90 0.16 0.00 0.00 0.00 0.00 53.44 52.92 1ner n ALA 35 Cb 0.15 -1.74 0.84 0.00 0.00 0.00 0.00 19.45 18.70 1ner n ALA 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ner h PRO 36 N -1.86 0.00 -0.52 0.00 0.13 -1.88 -1.96 132.00 125.91 1ner h PRO 36 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1ner h PRO 36 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1ner h PRO 36 CO 0.37 0.00 -0.02 1.79 -0.23 0.00 0.00 178.00 179.91 1ner h THR 37 N 0.00 1.27 0.58 1.56 1.35 -1.94 -3.02 112.91 112.70 1ner h THR 37 Ca 0.07 -1.13 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 1ner h THR 37 Cb 0.37 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 1ner h THR 37 CO -0.00 0.40 -0.50 0.74 -0.25 0.00 0.00 175.52 175.91 1ner h THR 38 N 0.81 0.00 -0.22 6.82 2.02 -1.66 0.31 112.91 120.99 1ner h THR 38 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 1ner h THR 38 Cb 0.56 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 1ner h THR 38 CO 0.03 0.00 -0.40 0.25 0.37 0.00 0.00 175.52 175.77 1ner h LEU 39 N -1.06 -1.28 0.36 2.58 7.12 -1.64 -0.94 115.31 120.45 1ner h LEU 39 Ca -0.07 0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1ner h LEU 39 Cb 0.89 0.54 -0.02 0.00 -0.53 0.00 0.00 40.66 41.54 1ner h LEU 39 CO -0.02 -0.39 -0.38 0.00 -0.13 0.00 0.00 178.44 177.52 1ner h ALA 40 N 0.29 -0.81 0.00 1.25 0.00 -1.39 -0.42 119.26 118.18 1ner h ALA 40 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ner h ALA 40 Cb 0.60 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ner h ALA 40 CO -0.45 -0.99 0.06 0.09 0.00 0.00 0.00 179.25 177.96 1ner n ASN 41 N -5.48 0.00 0.18 0.00 5.03 0.11 -1.02 115.26 114.08 1ner n ASN 41 Ca -0.10 0.25 0.14 0.00 0.87 0.00 0.00 54.58 55.73 1ner n ASN 41 Cb 0.38 -0.25 0.51 0.00 -1.02 0.00 0.00 39.78 39.40 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ner h ALA 42 N 1.60 1.00 0.00 5.41 0.00 0.31 -2.45 119.26 125.14 1ner h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ner h ALA 42 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ner h ALA 42 CO 0.00 0.00 -0.48 -0.07 0.00 0.00 0.00 179.25 178.70 1ner h LEU 43 N 0.00 0.00 0.00 0.00 3.38 -1.23 -3.42 115.31 114.05 1ner h LEU 43 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ner h LEU 43 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ner h LEU 43 CO 0.00 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 1ner n GLU 44 N -2.29 0.00 -2.06 1.13 1.02 -0.94 -4.99 120.64 112.50 1ner n GLU 44 Ca 0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.84 1ner n GLU 44 Cb 0.46 -0.48 0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1ner n GLU 44 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ner s ARG 45 N -0.97 3.27 -0.22 3.49 3.52 -1.07 -4.94 118.95 122.04 1ner s ARG 45 Ca 0.00 1.30 -0.29 0.00 -0.13 0.00 0.00 55.73 56.61 1ner s ARG 45 Cb 0.00 -2.02 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 1ner s ARG 45 CO 0.00 -0.86 1.60 -3.38 -0.81 0.00 0.00 175.30 171.84 1ner s HIS 46 N -2.31 2.14 -0.47 5.12 -3.43 -1.26 -4.76 115.29 110.32 1ner s HIS 46 Ca 0.66 0.55 0.05 0.00 -0.80 0.00 0.00 55.06 55.52 1ner s HIS 46 Cb -0.18 -3.97 0.24 0.00 -1.43 0.00 0.00 32.58 27.25 1ner s HIS 46 CO 0.35 -2.90 0.92 1.87 -2.00 0.00 0.00 174.74 172.98 1ner n TRP 47 N 8.32 -3.01 0.21 0.38 -0.00 -1.26 -5.00 117.44 117.07 1ner n TRP 47 Ca 0.18 -1.56 0.12 0.00 -0.00 0.00 0.00 57.50 56.24 1ner n TRP 47 Cb 0.45 1.49 0.62 0.00 -0.00 0.00 0.00 31.31 33.88 1ner n TRP 47 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1ner h PRO 48 N 4.00 0.00 0.00 5.87 0.11 -1.91 -0.58 132.00 139.48 1ner h PRO 48 Ca -0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.92 1ner h PRO 48 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1ner h PRO 48 CO 0.23 0.00 -0.26 -0.22 -0.21 0.00 0.00 178.00 177.54 1ner h LYS 49 N 0.00 0.00 0.00 1.05 1.63 -1.99 -1.99 116.57 115.27 1ner h LYS 49 Ca 0.00 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 1ner h LYS 49 Cb 0.27 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1ner h LYS 49 CO 0.00 0.26 -0.50 0.78 -3.45 0.00 0.00 179.45 176.54 1ner h GLY 50 N 1.78 0.00 1.85 5.01 0.00 -1.49 -2.73 103.07 107.49 1ner h GLY 50 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1ner h GLY 50 CO 0.03 0.00 -0.57 0.83 0.00 0.00 0.00 176.54 176.83 1ner h GLU 51 N 0.00 0.16 -0.50 4.80 4.39 -1.48 -2.99 114.58 118.96 1ner h GLU 51 Ca -0.01 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ner h GLU 51 Cb 1.05 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1ner h GLU 51 CO 0.07 0.69 0.29 1.96 -1.16 0.00 0.00 179.01 180.86 1ner h GLN 52 N 0.12 0.68 -0.24 2.33 1.08 -1.28 0.94 115.11 118.73 1ner h GLN 52 Ca -0.00 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1ner h GLN 52 Cb 1.04 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.29 1ner h GLN 52 CO 0.08 0.50 -0.01 0.82 -0.95 0.00 0.00 178.83 179.28 1ner h ILE 53 N 0.66 0.81 0.09 2.54 2.04 -1.50 0.32 117.51 122.48 1ner h ILE 53 Ca 0.18 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1ner h ILE 53 Cb 0.00 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1ner h ILE 53 CO -0.03 0.01 -0.04 0.40 0.00 0.00 0.00 178.15 178.49 1ner h ILE 54 N 0.06 1.00 -0.75 -0.67 2.04 -1.40 -2.67 117.51 115.11 1ner h ILE 54 Ca 0.12 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1ner h ILE 54 Cb 0.15 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1ner h ILE 54 CO -0.21 0.07 0.49 0.00 0.00 0.00 0.00 178.15 178.51 1ner h ALA 55 N 0.65 1.55 -0.49 1.87 0.00 -0.49 -0.18 119.26 122.16 1ner h ALA 55 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1ner h ALA 55 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ner h ALA 55 CO 0.02 0.38 0.33 -0.91 0.00 0.00 0.00 179.25 179.08 1ner h ASN 56 N 0.93 0.25 -0.63 0.00 2.35 -0.03 -0.54 115.58 117.90 1ner h ASN 56 Ca 0.30 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1ner h ASN 56 Cb 0.03 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1ner h ASN 56 CO -0.08 0.16 0.14 0.00 -1.65 0.00 0.00 177.43 175.99 1ner h ALA 57 N 1.75 1.01 -0.42 -0.83 0.00 -0.81 -2.08 119.26 117.87 1ner h ALA 57 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ner h ALA 57 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ner h ALA 57 CO -0.05 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.12 1ner n LEU 58 N -4.23 2.35 -1.86 0.00 4.77 -0.32 -4.88 117.00 112.82 1ner n LEU 58 Ca 0.05 -1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 54.74 1ner n LEU 58 Cb 0.26 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1ner n LEU 58 CO 0.42 0.58 -0.14 -0.62 -1.33 0.00 0.00 177.39 176.30 1ner n GLU 59 N 0.78 -1.69 -0.11 3.23 4.71 -0.54 -4.91 120.64 122.11 1ner n GLU 59 Ca 0.15 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 58.01 1ner n GLU 59 Cb 0.38 -5.12 0.00 0.00 -1.01 0.00 0.00 31.44 25.69 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1ner n THR 60 N -2.58 0.00 -4.36 2.62 5.66 -0.93 -5.01 114.28 109.68 1ner n THR 60 Ca -0.14 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 1ner n THR 60 Cb 0.51 -0.42 -0.12 0.00 -1.55 0.00 0.00 70.33 68.75 1ner n THR 60 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ner s LYS 61 N 1.59 1.58 0.48 1.09 3.01 -1.26 -4.48 119.74 121.74 1ner s LYS 61 Ca 0.00 -1.31 0.14 0.00 -1.01 0.00 0.00 55.97 53.79 1ner s LYS 61 Cb 0.00 -1.98 1.11 0.00 -1.01 0.00 0.00 37.83 35.95 1ner s LYS 61 CO 0.00 0.45 2.08 -1.00 0.51 0.00 0.00 175.35 177.39 1ner h PRO 62 N 3.70 0.09 0.00 -1.68 0.13 -1.93 -1.80 132.00 130.51 1ner h PRO 62 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ner h PRO 62 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ner h PRO 62 CO 0.43 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.48 1ner n GLU 63 N -4.45 0.01 -0.06 0.86 -0.00 -1.26 -1.69 120.64 114.05 1ner n GLU 63 Ca -0.02 0.29 -0.11 0.00 -0.00 0.00 0.00 57.16 57.32 1ner n GLU 63 Cb 0.14 -1.50 -0.15 0.00 -0.00 0.00 0.00 31.44 29.93 1ner n GLU 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ner n VAL 64 N -1.29 1.54 0.01 3.84 0.31 -0.68 -4.23 118.33 117.83 1ner n VAL 64 Ca 0.00 -0.79 -0.15 0.00 -0.01 0.00 0.00 64.34 63.39 1ner n VAL 64 Cb 0.00 -0.91 -0.14 0.00 -0.91 0.00 0.00 33.84 31.88 1ner n VAL 64 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ner h ILE 65 N 0.01 0.88 -3.06 2.52 5.03 -1.47 -3.42 117.51 117.99 1ner h ILE 65 Ca -0.41 -2.62 -0.62 0.00 -0.12 0.00 0.00 64.86 61.08 1ner h ILE 65 Cb 2.10 2.55 -0.41 0.00 -3.03 0.00 0.00 36.82 38.03 1ner h ILE 65 CO 0.05 0.73 -0.64 0.26 -0.68 0.00 0.00 178.15 177.87 1ner s TRP 66 N -2.59 3.13 -0.14 1.37 0.51 -1.02 -3.33 118.94 116.86 1ner s TRP 66 Ca -0.12 -3.14 -0.29 0.00 -2.12 0.00 0.00 56.10 50.43 1ner s TRP 66 Cb 0.07 -2.49 -0.26 0.00 -0.81 0.00 0.00 33.47 29.99 1ner s TRP 66 CO 0.81 -0.63 0.75 -1.00 -0.51 0.00 0.00 176.95 176.38 1ner h PRO 67 N 5.73 0.00 -0.00 4.98 0.13 -1.82 -3.21 132.00 137.80 1ner h PRO 67 Ca 0.10 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ner h PRO 67 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ner h PRO 67 CO 0.66 1.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.86 1ner n SER 68 N -4.60 0.00 0.00 1.44 7.64 -1.26 -0.95 113.62 115.90 1ner n SER 68 Ca -0.11 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ner n SER 68 Cb 0.49 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1ner n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ner n ARG 69 N 0.03 0.87 -3.43 1.43 1.74 -1.24 -4.92 116.66 111.15 1ner n ARG 69 Ca 0.00 -0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 1ner n ARG 69 Cb 0.00 -0.21 -0.05 0.00 -1.02 0.00 0.00 32.46 31.17 1ner n ARG 69 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ner n TYR 70 N -0.13 3.56 -2.74 -1.55 4.02 -0.12 -4.79 117.16 115.41 1ner n TYR 70 Ca 0.00 -3.77 -0.09 0.00 -0.01 0.00 0.00 57.90 54.04 1ner n TYR 70 Cb 0.05 -0.98 0.09 0.00 -0.02 0.00 0.00 39.34 38.48 1ner n TYR 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ner n GLN 71 N 1.61 1.11 -0.04 -0.72 10.64 -1.26 -4.95 117.38 123.77 1ner n GLN 71 Ca 0.25 -2.10 -0.05 0.00 -1.83 0.00 0.00 57.00 53.28 1ner n GLN 71 Cb 0.37 -0.62 -0.05 0.00 -0.86 0.00 0.00 30.24 29.08 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ner n ALA 72 N -0.14 1.81 0.00 2.61 0.00 -1.26 -5.13 120.51 118.39 1ner n ALA 72 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1ner n ALA 72 Cb 0.78 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.38 1ner n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ner n GLY 73 N 2.69 -2.00 0.52 0.00 0.00 -1.26 -5.32 105.19 99.83 1ner n GLY 73 Ca -0.14 -1.50 0.14 0.00 0.00 0.00 0.00 46.02 44.52 1ner n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11