#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ner s SER 2 N 0.00 -0.43 0.53 0.00 0.01 -1.26 -5.10 113.70 107.44 1ner s SER 2 Ca 0.00 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1ner s SER 2 Cb 0.00 1.51 0.00 0.00 0.21 0.00 0.00 66.02 67.74 1ner s SER 2 CO 0.00 -0.32 0.00 -3.20 0.41 0.00 0.00 173.24 170.13 1ner n ASN 3 N 5.38 -9.13 -4.04 2.44 5.15 -1.26 -4.93 115.26 108.87 1ner n ASN 3 Ca 0.01 1.32 -0.30 0.00 -0.60 0.00 0.00 54.58 55.01 1ner n ASN 3 Cb 0.51 -5.14 0.20 0.00 -0.53 0.00 0.00 39.78 34.83 1ner n ASN 3 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1ner s GLU 4 N -3.43 -0.08 0.00 1.20 1.03 -1.26 -4.98 118.70 111.18 1ner s GLU 4 Ca 0.00 -0.24 0.00 0.00 0.03 0.00 0.00 54.97 54.76 1ner s GLU 4 Cb 0.00 -1.75 0.00 0.00 -0.80 0.00 0.00 34.13 31.58 1ner s GLU 4 CO 0.00 -2.92 0.00 0.36 -1.33 0.00 0.00 175.26 171.37 1ner n LYS 5 N -4.16 0.00 0.00 -4.83 2.85 -1.26 -4.64 118.16 106.11 1ner n LYS 5 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1ner n LYS 5 Cb 0.59 -0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.80 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ner n ALA 6 N -2.96 0.00 -1.91 0.58 0.00 -1.26 -4.51 120.51 110.46 1ner n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ner n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.00 0.00 -1.05 0.00 1.74 -1.26 -5.07 116.66 110.01 1ner n ARG 7 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 1ner n ARG 7 Cb 0.00 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 31.65 1ner n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ner n ASP 8 N 0.00 -1.60 -4.62 0.55 8.00 -1.26 -4.54 116.55 113.07 1ner n ASP 8 Ca 0.00 -1.15 -0.43 0.00 0.71 0.00 0.00 54.79 53.92 1ner n ASP 8 Cb 0.00 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 1ner n ASP 8 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ner s TRP 9 N -2.89 1.76 0.42 1.24 0.52 -1.18 -4.80 118.94 114.02 1ner s TRP 9 Ca 0.63 0.40 -0.18 0.00 0.02 0.00 0.00 56.10 56.97 1ner s TRP 9 Cb -0.05 -4.03 -0.14 0.00 -1.15 0.00 0.00 33.47 28.09 1ner s TRP 9 CO 0.48 -3.56 -0.03 1.58 0.02 0.00 0.00 176.95 175.43 1ner n HIS 10 N 9.18 -2.36 -0.42 -1.98 -0.00 -1.26 -4.26 115.22 114.12 1ner n HIS 10 Ca 0.22 0.49 0.39 0.00 -0.00 0.00 0.00 57.72 58.81 1ner n HIS 10 Cb 0.45 -1.59 0.75 0.00 -0.00 0.00 0.00 29.99 29.59 1ner n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ner h ARG 11 N 0.12 0.03 0.00 1.57 3.08 -1.94 1.07 114.38 118.32 1ner h ARG 11 Ca -0.36 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.46 1ner h ARG 11 Cb 1.34 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.34 1ner h ARG 11 CO 0.41 0.02 -1.24 0.00 -1.07 0.00 0.00 179.97 178.08 1ner h ALA 12 N 1.34 0.58 0.00 0.04 0.00 -1.99 -3.13 119.26 116.11 1ner h ALA 12 Ca 0.67 -1.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1ner h ALA 12 Cb 2.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.49 1ner h ALA 12 CO -0.05 1.25 -0.30 -0.44 0.00 0.00 0.00 179.25 179.71 1ner h ASP 13 N 0.00 0.00 0.15 0.00 5.19 0.93 0.83 116.42 123.53 1ner h ASP 13 Ca -0.13 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1ner h ASP 13 Cb 1.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.30 1ner h ASP 13 CO 0.09 0.30 -0.07 0.58 -3.12 0.00 0.00 179.24 177.02 1ner h VAL 14 N 0.00 0.47 -0.00 -1.35 2.07 -1.39 -2.90 116.25 113.14 1ner h VAL 14 Ca -0.00 -1.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 1ner h VAL 14 Cb 0.58 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1ner h VAL 14 CO 0.04 0.14 -0.47 0.40 0.02 0.00 0.00 177.57 177.70 1ner h ILE 15 N -0.99 1.47 -0.63 4.57 2.04 -1.50 -1.94 117.51 120.52 1ner h ILE 15 Ca -0.02 -2.03 0.06 0.00 1.00 0.00 0.00 64.86 63.87 1ner h ILE 15 Cb 0.39 2.65 -0.06 0.00 -0.74 0.00 0.00 36.82 39.06 1ner h ILE 15 CO 0.03 0.58 0.33 0.00 0.00 0.00 0.00 178.15 179.09 1ner h ALA 16 N 0.30 0.83 0.11 1.87 0.00 0.52 0.72 119.26 123.62 1ner h ALA 16 Ca -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ner h ALA 16 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ner h ALA 16 CO 0.09 -0.02 -0.05 0.78 0.00 0.00 0.00 179.25 180.05 1ner h GLY 17 N 0.60 -0.16 0.85 0.00 0.00 -1.57 -2.41 103.07 100.39 1ner h GLY 17 Ca 0.29 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1ner h GLY 17 CO -0.20 -0.06 0.02 1.41 0.00 0.00 0.00 176.54 177.72 1ner h LEU 18 N -0.59 0.38 -2.59 3.11 3.38 -1.16 -2.81 115.31 115.03 1ner h LEU 18 Ca -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ner h LEU 18 Cb 0.47 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ner h LEU 18 CO 0.03 0.57 -0.01 0.50 0.09 0.00 0.00 178.44 179.62 1ner h LYS 19 N 0.18 0.00 -0.21 1.13 3.64 0.41 -2.12 116.57 119.60 1ner h LYS 19 Ca 0.07 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1ner h LYS 19 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ner h LYS 19 CO 0.01 0.01 0.32 0.87 -2.27 0.00 0.00 179.45 178.39 1ner h LYS 20 N 0.00 0.00 0.00 1.90 1.79 -1.15 -3.32 116.57 115.80 1ner h LYS 20 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ner h LYS 20 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1ner h LYS 20 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 1ner n ARG 21 N -3.48 0.00 -2.85 3.15 1.74 -0.80 -5.01 116.66 109.41 1ner n ARG 21 Ca 0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1ner n ARG 21 Cb 0.44 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.94 1ner n ARG 21 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1ner n LYS 22 N 0.00 0.99 -4.08 5.56 -0.00 -1.25 -5.13 118.16 114.25 1ner n LYS 22 Ca 0.00 -2.29 -0.14 0.00 -0.00 0.00 0.00 58.31 55.89 1ner n LYS 22 Cb 0.00 -1.22 -0.11 0.00 -0.00 0.00 0.00 35.03 33.70 1ner n LYS 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ner s LEU 23 N -2.19 2.26 -0.15 -5.58 1.43 -1.24 -5.01 118.68 108.19 1ner s LEU 23 Ca 0.27 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1ner s LEU 23 Cb 0.30 -0.21 0.05 0.00 0.03 0.00 0.00 46.19 46.36 1ner s LEU 23 CO -0.07 -0.19 0.37 -0.94 0.23 0.00 0.00 176.35 175.75 1ner s SER 24 N -1.61 -0.45 0.65 2.29 1.04 -1.26 -3.57 113.70 110.80 1ner s SER 24 Ca -0.09 0.80 0.17 0.00 0.48 0.00 0.00 55.95 57.30 1ner s SER 24 Cb -0.10 0.69 0.86 0.00 0.10 0.00 0.00 66.02 67.57 1ner s SER 24 CO 0.01 -0.18 1.47 -0.07 0.98 0.00 0.00 173.24 175.45 1ner h LEU 25 N 6.98 0.00 -0.09 2.42 3.38 -1.97 1.06 115.31 127.09 1ner h LEU 25 Ca -0.37 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.37 1ner h LEU 25 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ner h LEU 25 CO 0.31 0.00 -1.03 -1.28 0.09 0.00 0.00 178.44 176.53 1ner h SER 26 N 0.00 0.41 -0.15 -0.43 0.87 -1.94 -2.70 113.55 109.60 1ner h SER 26 Ca 0.05 -0.37 -0.12 0.00 -1.23 0.00 0.00 61.79 60.11 1ner h SER 26 Cb 1.43 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1ner h SER 26 CO -0.00 1.21 -0.39 0.00 -0.53 0.00 0.00 176.83 177.12 1ner h ALA 27 N 0.75 0.25 -0.42 6.23 0.00 0.78 -2.22 119.26 124.63 1ner h ALA 27 Ca -0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1ner h ALA 27 Cb 1.71 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1ner h ALA 27 CO 0.17 0.34 0.11 -0.07 0.00 0.00 0.00 179.25 179.80 1ner h LEU 28 N 0.16 0.56 0.26 0.00 3.38 -1.54 0.39 115.31 118.52 1ner h LEU 28 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ner h LEU 28 Cb 1.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ner h LEU 28 CO 0.08 0.56 -0.13 0.77 0.09 0.00 0.00 178.44 179.82 1ner h SER 29 N 0.60 -0.30 0.84 -0.43 4.64 -1.40 -3.14 113.55 114.37 1ner h SER 29 Ca 0.14 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1ner h SER 29 Cb 0.21 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1ner h SER 29 CO -0.01 0.14 -0.04 0.08 -0.87 0.00 0.00 176.83 176.13 1ner h ARG 30 N -0.81 0.00 -0.24 4.77 -0.00 -1.33 0.18 114.38 116.95 1ner h ARG 30 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.87 1ner h ARG 30 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.47 1ner h ARG 30 CO 0.06 0.04 -0.16 1.96 -0.00 0.00 0.00 179.97 181.87 1ner h GLN 31 N 0.00 0.42 0.00 0.08 4.20 -0.87 -3.18 115.11 115.76 1ner h GLN 31 Ca -0.00 -0.12 -0.19 0.00 0.06 0.00 0.00 58.65 58.40 1ner h GLN 31 Cb 0.47 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1ner h GLN 31 CO 0.01 0.57 -2.02 1.19 -0.67 0.00 0.00 178.83 177.91 1ner n PHE 32 N -4.19 0.00 -0.76 2.96 3.01 -1.04 -5.02 117.46 112.42 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 0.33 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 1.79 1.29 1.20 1.37 0.00 0.59 -4.97 105.19 106.46 1ner n GLY 33 Ca -0.18 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.22 1.05 -0.20 1.61 4.01 -1.11 -5.01 117.16 115.30 1ner n TYR 34 Ca 0.00 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 1ner n TYR 34 Cb 0.18 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.74 -1.22 0.30 -0.72 0.00 -1.26 -3.64 120.51 114.71 1ner n ALA 35 Ca 0.18 0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.87 1ner n ALA 35 Cb 0.66 -0.62 0.91 0.00 0.00 0.00 0.00 19.45 20.41 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 0.14 0.00 -0.07 0.00 0.13 -1.92 -2.03 132.00 128.25 1ner h PRO 36 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1ner h PRO 36 Cb 0.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1ner h PRO 36 CO 0.00 0.00 -0.73 1.79 -0.23 0.00 0.00 178.00 178.83 1ner h THR 37 N 0.00 1.39 0.41 1.56 1.35 -1.97 -3.11 112.91 112.53 1ner h THR 37 Ca 0.00 -2.17 -0.02 0.00 -0.55 0.00 0.00 66.41 63.67 1ner h THR 37 Cb 0.15 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1ner h THR 37 CO 0.00 0.65 -0.29 0.74 -0.25 0.00 0.00 175.52 176.37 1ner h THR 38 N 0.25 0.00 -0.54 6.82 2.02 -1.43 -0.02 112.91 120.01 1ner h THR 38 Ca -0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.26 1ner h THR 38 Cb 1.31 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.62 1ner h THR 38 CO 0.12 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.87 1ner h LEU 39 N -0.67 -0.39 0.42 2.58 -0.00 -1.69 0.86 115.31 116.42 1ner h LEU 39 Ca -0.05 0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1ner h LEU 39 Cb 0.55 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 1ner h LEU 39 CO 0.03 -0.14 -0.44 0.00 -0.00 0.00 0.00 178.44 177.88 1ner h ALA 40 N 1.52 -1.10 0.00 1.53 0.00 -1.45 -0.51 119.26 119.26 1ner h ALA 40 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ner h ALA 40 Cb 0.42 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ner h ALA 40 CO -0.52 -1.13 0.08 0.09 0.00 0.00 0.00 179.25 177.77 1ner n ASN 41 N -5.08 0.46 0.00 0.00 4.13 -0.04 -1.39 115.26 113.34 1ner n ASN 41 Ca -0.10 0.69 0.10 0.00 1.68 0.00 0.00 54.58 56.94 1ner n ASN 41 Cb 0.40 -0.73 0.53 0.00 -1.54 0.00 0.00 39.78 38.45 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ner n ALA 42 N -1.70 2.12 0.39 5.41 0.00 0.24 -0.99 120.51 125.99 1ner n ALA 42 Ca -0.01 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1ner n ALA 42 Cb 0.10 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.40 1ner n ALA 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ner h LEU 43 N 0.00 0.00 0.00 0.00 3.38 -1.32 -3.41 115.31 113.97 1ner h LEU 43 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ner h LEU 43 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ner h LEU 43 CO 0.00 0.04 -0.33 -1.84 0.09 0.00 0.00 178.44 176.41 1ner n GLU 44 N -2.46 1.28 -2.52 1.13 -0.00 -1.06 -5.08 120.64 111.94 1ner n GLU 44 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.16 56.83 1ner n GLU 44 Cb 0.48 -0.66 -0.03 0.00 -0.00 0.00 0.00 31.44 31.23 1ner n GLU 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1ner s ARG 45 N -1.33 3.96 -0.48 3.44 0.52 -0.16 -4.94 118.95 119.97 1ner s ARG 45 Ca 0.00 1.47 -0.28 0.00 -0.52 0.00 0.00 55.73 56.40 1ner s ARG 45 Cb 0.00 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.13 1ner s ARG 45 CO 0.00 -0.31 1.73 -3.38 0.02 0.00 0.00 175.30 173.36 1ner s HIS 46 N -1.79 1.88 -0.41 -0.53 -3.43 -1.26 -4.78 115.29 104.98 1ner s HIS 46 Ca 0.63 0.67 0.01 0.00 -0.80 0.00 0.00 55.06 55.57 1ner s HIS 46 Cb -0.20 -4.17 0.25 0.00 -1.43 0.00 0.00 32.58 27.03 1ner s HIS 46 CO 0.25 -2.46 1.05 1.87 -2.00 0.00 0.00 174.74 173.45 1ner n TRP 47 N 10.98 -1.92 0.20 0.38 -0.00 -1.26 -5.01 117.44 120.80 1ner n TRP 47 Ca 0.20 -1.17 0.10 0.00 -0.00 0.00 0.00 57.50 56.63 1ner n TRP 47 Cb 0.49 1.31 0.55 0.00 -0.00 0.00 0.00 31.31 33.66 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 3.70 0.00 0.00 5.87 0.11 -1.95 -0.22 132.00 139.51 1ner h PRO 48 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ner h PRO 48 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ner h PRO 48 CO 0.04 0.00 0.00 -0.22 -0.21 0.00 0.00 178.00 177.61 1ner h LYS 49 N 0.00 0.00 0.00 1.05 1.63 -1.99 -2.57 116.57 114.69 1ner h LYS 49 Ca 0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 1ner h LYS 49 Cb 0.42 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1ner h LYS 49 CO 0.00 0.00 -0.88 0.78 -3.45 0.00 0.00 179.45 175.90 1ner h GLY 50 N 2.69 0.00 1.32 5.01 0.00 -1.41 -3.16 103.07 107.53 1ner h GLY 50 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ner h GLY 50 CO 0.00 0.00 -0.52 0.83 0.00 0.00 0.00 176.54 176.85 1ner h GLU 51 N 0.00 0.72 -0.89 4.80 4.39 -1.58 -2.99 114.58 119.02 1ner h GLU 51 Ca -0.01 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1ner h GLU 51 Cb 1.67 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.32 1ner h GLU 51 CO 0.11 1.06 0.50 1.96 -1.16 0.00 0.00 179.01 181.49 1ner h GLN 52 N 0.56 1.24 0.04 2.33 4.20 -1.54 -0.05 115.11 121.90 1ner h GLN 52 Ca 0.02 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.62 1ner h GLN 52 Cb 1.09 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 1ner h GLN 52 CO 0.11 0.90 -0.25 0.82 -0.67 0.00 0.00 178.83 179.74 1ner h ILE 53 N 1.25 0.44 0.48 2.54 2.04 -1.49 0.70 117.51 123.48 1ner h ILE 53 Ca 0.32 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 1ner h ILE 53 Cb 0.01 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1ner h ILE 53 CO -0.05 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 178.26 1ner h ILE 54 N -0.41 0.47 -0.85 -0.67 2.04 -1.43 -2.92 117.51 113.74 1ner h ILE 54 Ca 0.05 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.64 1ner h ILE 54 Cb 0.47 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1ner h ILE 54 CO -0.19 0.05 0.55 0.00 0.00 0.00 0.00 178.15 178.56 1ner h ALA 55 N -0.46 1.56 -0.61 1.87 0.00 -0.91 0.41 119.26 121.11 1ner h ALA 55 Ca -0.07 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1ner h ALA 55 Cb 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ner h ALA 55 CO 0.11 0.32 0.42 -0.97 0.00 0.00 0.00 179.25 179.13 1ner h ASN 56 N 0.96 0.24 -0.44 0.00 -1.24 0.53 0.44 115.58 116.08 1ner h ASN 56 Ca 0.36 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.31 1ner h ASN 56 Cb 0.19 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1ner h ASN 56 CO -0.13 0.14 0.04 0.00 -1.29 0.00 0.00 177.43 176.19 1ner h ALA 57 N 1.70 1.12 -0.44 1.57 0.00 -0.72 -2.02 119.26 120.47 1ner h ALA 57 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ner h ALA 57 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ner h ALA 57 CO -0.06 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1ner n LEU 58 N -4.23 2.83 -1.80 0.00 4.77 0.07 -4.87 117.00 113.77 1ner n LEU 58 Ca 0.03 -1.42 -0.14 0.00 -0.03 0.00 0.00 56.01 54.45 1ner n LEU 58 Cb 0.28 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1ner n LEU 58 CO 0.41 0.58 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.29 1ner n GLU 59 N 0.73 -1.63 -2.31 3.23 1.02 -0.76 -4.92 120.64 116.01 1ner n GLU 59 Ca 0.16 0.75 -0.09 0.00 -0.02 0.00 0.00 57.16 57.96 1ner n GLU 59 Cb 0.50 -5.14 -0.00 0.00 -0.02 0.00 0.00 31.44 26.78 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1ner n THR 60 N -2.52 0.00 -3.98 2.62 5.66 -0.93 -5.01 114.28 110.12 1ner n THR 60 Ca -0.15 -0.73 -0.31 0.00 -3.05 0.00 0.00 64.05 59.82 1ner n THR 60 Cb 0.52 -0.32 -0.05 0.00 -1.55 0.00 0.00 70.33 68.93 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 -2.74 3.19 0.46 1.09 1.02 -1.26 -4.32 119.74 117.18 1ner s LYS 61 Ca 0.10 -0.54 0.13 0.00 0.02 0.00 0.00 55.97 55.67 1ner s LYS 61 Cb -0.01 -2.90 1.05 0.00 -0.52 0.00 0.00 37.83 35.45 1ner s LYS 61 CO 0.06 0.60 2.06 -1.00 -0.92 0.00 0.00 175.35 176.15 1ner h PRO 62 N 3.23 0.15 0.00 -1.68 0.13 -1.92 -1.15 132.00 130.77 1ner h PRO 62 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ner h PRO 62 Cb 1.16 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ner h PRO 62 CO 0.71 0.17 0.01 0.39 -0.23 0.00 0.00 178.00 179.05 1ner n GLU 63 N -4.44 0.00 -0.05 0.86 4.71 -1.26 -1.44 120.64 119.02 1ner n GLU 63 Ca -0.01 0.14 -0.17 0.00 -0.01 0.00 0.00 57.16 57.11 1ner n GLU 63 Cb 0.14 -1.51 -0.14 0.00 -1.01 0.00 0.00 31.44 28.92 1ner n GLU 63 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ner n VAL 64 N -1.12 1.63 0.43 2.62 0.31 -0.43 -3.84 118.33 117.93 1ner n VAL 64 Ca 0.00 -0.68 0.12 0.00 -0.01 0.00 0.00 64.34 63.77 1ner n VAL 64 Cb 0.01 -1.39 0.13 0.00 -0.91 0.00 0.00 33.84 31.68 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 0.03 0.00 -2.07 2.52 2.04 -1.40 -3.39 117.51 115.24 1ner h ILE 65 Ca -0.46 -0.65 -0.54 0.00 1.00 0.00 0.00 64.86 64.20 1ner h ILE 65 Cb 2.02 1.24 -0.40 0.00 -0.74 0.00 0.00 36.82 38.94 1ner h ILE 65 CO 0.03 0.00 -0.99 0.79 0.00 0.00 0.00 178.15 177.98 1ner n TRP 66 N -2.32 1.08 -0.07 1.37 8.01 -0.94 -3.08 117.44 121.50 1ner n TRP 66 Ca 0.02 -3.80 -0.15 0.00 -1.31 0.00 0.00 57.50 52.26 1ner n TRP 66 Cb 0.47 -0.43 -0.06 0.00 -2.01 0.00 0.00 31.31 29.29 1ner n TRP 66 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1ner h PRO 67 N 3.56 0.73 0.00 -0.99 0.13 -1.77 -3.08 132.00 130.58 1ner h PRO 67 Ca 0.11 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ner h PRO 67 Cb 0.82 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ner h PRO 67 CO 0.58 1.10 0.00 0.43 -0.23 0.00 0.00 178.00 179.88 1ner n SER 68 N -4.14 0.00 -0.02 1.44 7.64 -1.26 -1.82 113.62 115.45 1ner n SER 68 Ca -0.05 -0.18 0.05 0.00 1.01 0.00 0.00 58.87 59.70 1ner n SER 68 Cb 0.58 -0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.07 0.67 -0.68 1.43 1.74 -1.17 -4.96 116.66 112.62 1ner n ARG 69 Ca 0.06 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1ner n ARG 69 Cb 0.04 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.08 -0.98 -2.59 -1.55 4.01 -0.76 -5.08 117.16 108.13 1ner n TYR 70 Ca -0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.66 1ner n TYR 70 Cb 0.47 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.59 1ner n TYR 70 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1ner n GLN 71 N -0.33 1.20 0.00 -0.72 7.27 -1.26 -4.97 117.38 118.57 1ner n GLN 71 Ca 0.00 -1.40 0.00 0.00 0.07 0.00 0.00 57.00 55.67 1ner n GLN 71 Cb 0.00 0.25 0.00 0.00 2.41 0.00 0.00 30.24 32.90 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ner n ALA 72 N -1.23 0.00 -2.26 1.69 0.00 -1.26 -4.84 120.51 112.61 1ner n ALA 72 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1ner n ALA 72 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.28 1ner n ALA 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ner s GLY 73 N 0.00 1.31 0.00 0.00 0.00 -1.26 -5.20 107.32 102.16 1ner s GLY 73 Ca 0.00 0.30 0.28 0.00 0.00 0.00 0.00 44.72 45.30 1ner s GLY 73 CO 0.00 2.80 1.70 -1.84 0.00 0.00 0.00 173.10 175.76