#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 -4.02 -2.19 0.00 7.64 -1.26 -4.75 113.62 109.05 1ner n SER 2 Ca 0.00 0.39 -0.01 0.00 1.01 0.00 0.00 58.87 60.26 1ner n SER 2 Cb 0.00 -1.19 0.05 0.00 -1.01 0.00 0.00 64.21 62.05 1ner n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ner n ASN 3 N -3.86 -0.10 -4.82 6.43 4.05 -1.26 -5.12 115.26 110.57 1ner n ASN 3 Ca 0.00 -2.08 -0.31 0.00 0.45 0.00 0.00 54.58 52.64 1ner n ASN 3 Cb 0.17 0.12 0.03 0.00 1.23 0.00 0.00 39.78 41.32 1ner n ASN 3 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1ner s GLU 4 N -1.03 3.15 -1.46 1.20 -1.05 -1.26 -3.80 118.70 114.44 1ner s GLU 4 Ca 0.16 1.00 -0.09 0.00 -0.15 0.00 0.00 54.97 55.90 1ner s GLU 4 Cb 0.31 -2.02 0.06 0.00 -0.44 0.00 0.00 34.13 32.04 1ner s GLU 4 CO -0.08 -0.93 0.87 1.63 0.95 0.00 0.00 175.26 177.69 1ner n LYS 5 N -2.73 -5.19 0.00 -4.83 5.02 -1.26 -4.97 118.16 104.21 1ner n LYS 5 Ca 0.08 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1ner n LYS 5 Cb 0.53 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ner n ALA 6 N -4.54 0.00 1.20 7.82 0.00 -1.25 -4.75 120.51 118.99 1ner n ALA 6 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1ner n ALA 6 Cb 0.58 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.30 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 0.00 1.37 -1.36 0.00 5.12 -1.26 -4.93 116.66 115.59 1ner n ARG 7 Ca 0.00 -0.97 -0.31 0.00 -1.93 0.00 0.00 57.85 54.65 1ner n ARG 7 Cb 0.00 -1.48 0.09 0.00 -1.16 0.00 0.00 32.46 29.91 1ner n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ner s ASP 8 N -2.30 4.61 -0.19 0.55 1.01 -1.26 -4.40 116.67 114.69 1ner s ASP 8 Ca 0.27 1.68 -0.29 0.00 0.71 0.00 0.00 52.55 54.92 1ner s ASP 8 Cb 0.19 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1ner s ASP 8 CO 0.45 -1.95 1.60 0.26 0.21 0.00 0.00 175.17 175.75 1ner s TRP 9 N -2.97 2.13 0.37 4.23 0.52 -1.12 -4.92 118.94 117.19 1ner s TRP 9 Ca 0.61 0.52 -0.18 0.00 0.02 0.00 0.00 56.10 57.06 1ner s TRP 9 Cb -0.16 -3.94 -0.14 0.00 -1.15 0.00 0.00 33.47 28.08 1ner s TRP 9 CO 0.56 -3.00 0.04 0.72 0.02 0.00 0.00 176.95 175.29 1ner n HIS 10 N 8.14 -2.00 -0.33 -1.98 8.25 -1.26 -4.28 115.22 121.76 1ner n HIS 10 Ca 0.18 0.53 0.24 0.00 -0.26 0.00 0.00 57.72 58.41 1ner n HIS 10 Cb 0.45 -1.56 0.48 0.00 1.12 0.00 0.00 29.99 30.48 1ner n HIS 10 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ner h ARG 11 N 0.23 0.25 0.00 -0.41 9.65 -2.01 1.18 114.38 123.28 1ner h ARG 11 Ca -0.33 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.46 1ner h ARG 11 Cb 1.28 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 1ner h ARG 11 CO 0.41 0.17 -0.38 0.00 2.80 0.00 0.00 179.97 182.96 1ner h ALA 12 N 1.87 0.78 0.00 2.80 0.00 -1.99 -2.82 119.26 119.90 1ner h ALA 12 Ca 0.74 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 1ner h ALA 12 Cb 1.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1ner h ALA 12 CO -0.64 0.40 -0.32 -0.44 0.00 0.00 0.00 179.25 178.25 1ner h ASP 13 N 0.00 0.00 0.08 0.00 5.19 0.12 0.70 116.42 122.51 1ner h ASP 13 Ca -0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ner h ASP 13 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1ner h ASP 13 CO 0.04 0.32 -0.04 0.58 -3.12 0.00 0.00 179.24 177.03 1ner h VAL 14 N 0.00 0.19 0.51 -1.35 2.07 -1.21 -1.98 116.25 114.47 1ner h VAL 14 Ca -0.00 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1ner h VAL 14 Cb 0.65 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1ner h VAL 14 CO 0.04 0.06 -0.24 0.40 0.02 0.00 0.00 177.57 177.85 1ner h ILE 15 N -1.02 0.50 0.41 4.57 1.08 -1.44 -0.67 117.51 120.94 1ner h ILE 15 Ca -0.01 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1ner h ILE 15 Cb 0.18 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1ner h ILE 15 CO 0.02 0.01 -0.45 0.00 -0.69 0.00 0.00 178.15 177.04 1ner h ALA 16 N -0.24 -1.09 -0.48 1.87 0.00 0.26 1.03 119.26 120.61 1ner h ALA 16 Ca -0.07 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1ner h ALA 16 Cb 0.54 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1ner h ALA 16 CO 0.11 -1.13 -0.33 0.78 0.00 0.00 0.00 179.25 178.69 1ner h GLY 17 N -0.87 -0.18 0.63 0.00 0.00 -1.36 0.39 103.07 101.67 1ner h GLY 17 Ca -0.05 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1ner h GLY 17 CO -0.08 -0.21 -0.30 1.41 0.00 0.00 0.00 176.54 177.37 1ner h LEU 18 N -0.21 -0.71 -0.34 3.11 3.38 -0.86 -2.49 115.31 117.19 1ner h LEU 18 Ca 0.20 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ner h LEU 18 Cb 0.54 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ner h LEU 18 CO -0.60 -0.39 0.23 1.17 0.09 0.00 0.00 178.44 178.95 1ner n LYS 19 N -4.92 0.03 0.20 1.13 4.81 0.35 -0.38 118.16 119.39 1ner n LYS 19 Ca -0.10 0.41 0.13 0.00 -0.87 0.00 0.00 58.31 57.88 1ner n LYS 19 Cb 0.33 -1.85 0.73 0.00 0.02 0.00 0.00 35.03 34.26 1ner n LYS 19 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ner h LYS 20 N 0.00 0.00 0.00 1.64 3.64 0.25 -3.35 116.57 118.76 1ner h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ner h LYS 20 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ner h LYS 20 CO 0.00 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.72 1ner n ARG 21 N -4.26 0.00 -2.84 1.90 1.74 0.49 -5.01 116.66 108.68 1ner n ARG 21 Ca 0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.98 1ner n ARG 21 Cb 0.25 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.75 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 1.02 -4.12 5.56 5.02 -1.25 -5.13 118.16 119.25 1ner n LYS 22 Ca 0.00 -2.30 -0.14 0.00 -2.02 0.00 0.00 58.31 53.85 1ner n LYS 22 Cb 0.00 -1.14 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.38 2.31 -0.17 -0.35 1.43 -1.26 -5.00 118.68 113.27 1ner s LEU 23 Ca 0.26 -0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1ner s LEU 23 Cb 0.31 -0.28 0.07 0.00 0.03 0.00 0.00 46.19 46.33 1ner s LEU 23 CO -0.06 -0.20 0.36 -0.94 0.23 0.00 0.00 176.35 175.74 1ner s SER 24 N -1.89 -0.17 0.66 2.29 1.04 -1.26 -3.44 113.70 110.93 1ner s SER 24 Ca -0.03 0.82 0.19 0.00 0.48 0.00 0.00 55.95 57.41 1ner s SER 24 Cb -0.08 0.95 1.01 0.00 0.10 0.00 0.00 66.02 68.01 1ner s SER 24 CO 0.00 -0.22 1.57 -0.07 0.98 0.00 0.00 173.24 175.50 1ner h LEU 25 N 7.84 0.00 -0.09 2.42 4.07 -1.98 0.92 115.31 128.49 1ner h LEU 25 Ca -0.23 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.48 1ner h LEU 25 Cb 1.13 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.89 1ner h LEU 25 CO 0.19 0.00 -0.97 0.77 -1.08 0.00 0.00 178.44 177.35 1ner h SER 26 N 0.00 0.78 0.14 -0.43 4.64 -1.95 -2.36 113.55 114.38 1ner h SER 26 Ca 0.03 -0.61 -0.23 0.00 -0.47 0.00 0.00 61.79 60.51 1ner h SER 26 Cb 1.26 -0.24 0.03 0.00 -0.31 0.00 0.00 62.40 63.14 1ner h SER 26 CO -0.00 1.41 -0.99 0.00 -0.87 0.00 0.00 176.83 176.37 1ner h ALA 27 N 0.55 -0.07 0.00 5.18 0.00 0.41 -3.15 119.26 122.18 1ner h ALA 27 Ca -0.10 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1ner h ALA 27 Cb 1.61 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ner h ALA 27 CO 0.18 0.49 -0.11 -0.07 0.00 0.00 0.00 179.25 179.75 1ner h LEU 28 N -0.12 0.00 0.43 0.00 4.07 -1.27 -0.59 115.31 117.83 1ner h LEU 28 Ca -0.16 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 1ner h LEU 28 Cb 1.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.49 1ner h LEU 28 CO 0.19 0.11 -0.21 0.77 -1.08 0.00 0.00 178.44 178.22 1ner h SER 29 N 0.00 -0.49 1.01 -0.43 4.64 -1.44 -3.17 113.55 113.67 1ner h SER 29 Ca -0.00 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1ner h SER 29 Cb 0.20 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1ner h SER 29 CO 0.01 -0.09 -0.02 0.08 -0.87 0.00 0.00 176.83 175.95 1ner h ARG 30 N -0.98 0.00 -0.14 4.77 0.11 -1.48 -1.93 114.38 114.73 1ner h ARG 30 Ca -0.06 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.96 1ner h ARG 30 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1ner h ARG 30 CO 0.10 0.02 -0.17 1.96 0.10 0.00 0.00 179.97 181.97 1ner h GLN 31 N 0.00 0.22 0.00 0.08 4.20 -1.08 -3.06 115.11 115.47 1ner h GLN 31 Ca -0.00 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1ner h GLN 31 Cb 0.53 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1ner h GLN 31 CO 0.00 0.40 -1.91 1.19 -0.67 0.00 0.00 178.83 177.84 1ner n PHE 32 N -4.24 0.00 0.00 2.96 3.01 -1.13 -5.02 117.46 113.04 1ner n PHE 32 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1ner n PHE 32 Cb 0.30 -0.50 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 1.52 3.23 3.63 1.37 0.00 -0.74 -5.07 105.19 109.13 1ner n GLY 33 Ca -0.08 -1.07 -0.56 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.80 1.61 4.01 -1.20 -4.75 117.16 117.62 1ner n TYR 34 Ca 0.00 0.69 -0.33 0.00 -0.16 0.00 0.00 57.90 58.10 1ner n TYR 34 Cb 0.00 -2.34 0.12 0.00 -0.31 0.00 0.00 39.34 36.81 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 3.38 -2.91 0.33 -0.72 0.00 -1.26 -4.09 120.51 115.25 1ner n ALA 35 Ca 0.22 -0.66 0.21 0.00 0.00 0.00 0.00 53.44 53.21 1ner n ALA 35 Cb 0.14 -1.73 1.14 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.56 0.00 -0.26 0.00 0.13 -1.88 -1.12 132.00 127.30 1ner h PRO 36 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 1ner h PRO 36 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ner h PRO 36 CO 0.34 0.00 -0.45 1.79 -0.23 0.00 0.00 178.00 179.44 1ner h THR 37 N 0.00 1.30 0.49 1.56 1.35 -1.97 -2.78 112.91 112.86 1ner h THR 37 Ca 0.00 -1.65 -0.02 0.00 -0.55 0.00 0.00 66.41 64.20 1ner h THR 37 Cb 0.11 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1ner h THR 37 CO 0.00 0.53 -0.40 0.74 -0.25 0.00 0.00 175.52 176.14 1ner h THR 38 N 0.54 0.00 -0.42 6.82 2.02 -1.50 0.23 112.91 120.61 1ner h THR 38 Ca 0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.30 1ner h THR 38 Cb 1.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.32 1ner h THR 38 CO 0.09 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.73 1ner h LEU 39 N -0.86 -0.64 0.51 2.58 -0.00 -1.65 -0.18 115.31 115.07 1ner h LEU 39 Ca -0.06 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 1ner h LEU 39 Cb 0.72 0.36 -0.02 0.00 -0.00 0.00 0.00 40.66 41.72 1ner h LEU 39 CO 0.00 -0.22 -0.47 0.00 -0.00 0.00 0.00 178.44 177.75 1ner h ALA 40 N 1.20 -1.15 0.00 1.53 0.00 -1.23 -1.22 119.26 118.39 1ner h ALA 40 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ner h ALA 40 Cb 0.42 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ner h ALA 40 CO -0.49 -1.17 0.14 0.09 0.00 0.00 0.00 179.25 177.82 1ner n ASN 41 N -5.32 0.47 0.00 0.00 3.02 0.80 -0.86 115.26 113.38 1ner n ASN 41 Ca -0.12 0.68 0.09 0.00 -0.03 0.00 0.00 54.58 55.20 1ner n ASN 41 Cb 0.44 -0.69 0.49 0.00 -0.61 0.00 0.00 39.78 39.41 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ner n ALA 42 N -1.69 2.05 0.47 5.41 0.00 -0.12 -0.61 120.51 126.02 1ner n ALA 42 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1ner n ALA 42 Cb 0.16 -1.30 0.18 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.11 -3.41 115.31 114.17 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 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ner h LEU 43 CO 0.00 0.06 -0.40 -0.62 0.09 0.00 0.00 178.44 177.57 1ner n GLU 44 N -2.33 0.57 -2.34 1.13 1.02 -0.96 -5.07 120.64 112.67 1ner n GLU 44 Ca 0.03 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.78 1ner n GLU 44 Cb 0.47 -0.70 -0.03 0.00 -0.02 0.00 0.00 31.44 31.16 1ner n GLU 44 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ner s ARG 45 N -1.40 4.37 -0.59 3.49 1.81 0.22 -4.89 118.95 121.96 1ner s ARG 45 Ca 0.00 1.89 -0.26 0.00 -1.72 0.00 0.00 55.73 55.64 1ner s ARG 45 Cb 0.00 -2.97 -0.06 0.00 -0.45 0.00 0.00 34.95 31.48 1ner s ARG 45 CO 0.00 -0.06 2.17 -1.01 -0.68 0.00 0.00 175.30 175.72 1ner s HIS 46 N -1.26 1.35 -0.46 -0.53 3.76 -1.26 -4.72 115.29 112.17 1ner s HIS 46 Ca 0.50 1.25 0.04 0.00 -0.15 0.00 0.00 55.06 56.70 1ner s HIS 46 Cb -0.33 -3.79 0.24 0.00 1.11 0.00 0.00 32.58 29.81 1ner s HIS 46 CO 0.42 -2.31 0.95 1.87 -0.85 0.00 0.00 174.74 174.82 1ner n TRP 47 N 14.86 -2.81 0.17 1.40 -0.00 -1.26 -5.00 117.44 124.80 1ner n TRP 47 Ca 0.32 -1.51 0.11 0.00 -0.00 0.00 0.00 57.50 56.42 1ner n TRP 47 Cb 0.52 1.47 0.58 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 3.91 0.00 0.00 5.87 0.11 -1.92 -1.26 132.00 138.70 1ner h PRO 48 Ca -0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 1ner h PRO 48 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ner h PRO 48 CO 0.20 0.00 -0.19 -0.22 -0.21 0.00 0.00 178.00 177.58 1ner h LYS 49 N 0.00 0.00 0.00 1.05 3.64 -1.98 -1.69 116.57 117.59 1ner h LYS 49 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1ner h LYS 49 Cb 0.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1ner h LYS 49 CO 0.00 0.19 -0.57 0.78 -2.27 0.00 0.00 179.45 177.58 1ner h GLY 50 N 1.74 0.00 1.78 5.01 0.00 -1.60 -2.70 103.07 107.30 1ner h GLY 50 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1ner h GLY 50 CO 0.03 0.00 -0.60 0.83 0.00 0.00 0.00 176.54 176.80 1ner h GLU 51 N 0.00 0.22 -0.51 4.80 4.39 -1.45 -3.05 114.58 118.99 1ner h GLU 51 Ca -0.01 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1ner h GLU 51 Cb 1.08 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 1ner h GLU 51 CO 0.07 0.75 0.29 1.96 -1.16 0.00 0.00 179.01 180.93 1ner h GLN 52 N 0.17 0.70 -0.07 2.33 4.20 -1.14 0.25 115.11 121.54 1ner h GLN 52 Ca -0.01 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1ner h GLN 52 Cb 1.09 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1ner h GLN 52 CO 0.09 0.53 -0.10 0.82 -0.67 0.00 0.00 178.83 179.50 1ner h ILE 53 N 0.68 0.72 0.66 2.54 2.04 -1.46 0.53 117.51 123.23 1ner h ILE 53 Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 1ner h ILE 53 Cb 0.02 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1ner h ILE 53 CO -0.03 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 178.20 1ner h ILE 54 N -0.14 0.22 -0.63 -0.67 2.04 -1.41 -2.99 117.51 113.93 1ner h ILE 54 Ca 0.06 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.76 1ner h ILE 54 Cb 0.23 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1ner h ILE 54 CO -0.16 0.02 0.42 0.00 0.00 0.00 0.00 178.15 178.43 1ner h ALA 55 N -0.90 1.88 -0.63 1.87 0.00 -0.42 0.08 119.26 121.15 1ner h ALA 55 Ca -0.09 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ner h ALA 55 Cb 0.72 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1ner h ALA 55 CO 0.15 -0.00 0.42 -0.97 0.00 0.00 0.00 179.25 178.85 1ner h ASN 56 N 0.54 0.42 -0.83 0.00 -1.24 0.22 -0.35 115.58 114.34 1ner h ASN 56 Ca 0.28 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 1ner h ASN 56 Cb 0.40 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 1ner h ASN 56 CO -0.09 0.26 0.48 0.00 -1.29 0.00 0.00 177.43 176.79 1ner h ALA 57 N 1.68 1.28 -0.05 1.57 0.00 -0.86 -0.53 119.26 122.34 1ner h ALA 57 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ner h ALA 57 Cb 0.51 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ner h ALA 57 CO -0.09 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1ner n LEU 58 N -4.36 1.27 -1.73 0.00 4.77 -0.25 -4.88 117.00 111.82 1ner n LEU 58 Ca 0.09 -0.46 -0.19 0.00 -0.03 0.00 0.00 56.01 55.43 1ner n LEU 58 Cb 0.08 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1ner n LEU 58 CO 0.38 0.23 -0.20 1.21 -1.33 0.00 0.00 177.39 177.67 1ner n GLU 59 N 0.01 -1.37 -1.50 3.23 0.00 -0.21 -4.97 120.64 115.82 1ner n GLU 59 Ca 0.19 1.04 0.00 0.00 0.00 0.00 0.00 57.16 58.39 1ner n GLU 59 Cb 0.30 -5.44 0.00 0.00 0.00 0.00 0.00 31.44 26.31 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1ner n THR 60 N -3.15 0.00 -4.17 6.31 5.66 -0.97 -5.00 114.28 112.95 1ner n THR 60 Ca -0.20 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.49 1ner n THR 60 Cb 0.63 -0.45 -0.08 0.00 -1.55 0.00 0.00 70.33 68.88 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 -1.88 2.70 0.42 1.09 3.01 -1.26 -4.40 119.74 119.42 1ner s LYS 61 Ca 0.00 -0.72 0.13 0.00 -1.01 0.00 0.00 55.97 54.37 1ner s LYS 61 Cb 0.00 -2.63 1.00 0.00 -1.01 0.00 0.00 37.83 35.19 1ner s LYS 61 CO 0.00 0.58 1.97 -1.00 0.51 0.00 0.00 175.35 177.40 1ner h PRO 62 N 3.76 0.44 0.00 -1.68 0.13 -1.93 0.25 132.00 132.97 1ner h PRO 62 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ner h PRO 62 Cb 1.17 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ner h PRO 62 CO 0.60 0.29 0.00 -0.85 -0.23 0.00 0.00 178.00 177.82 1ner n GLU 63 N -4.47 0.00 -0.04 0.86 0.28 -1.26 -1.68 120.64 114.32 1ner n GLU 63 Ca 0.11 0.16 -0.18 0.00 -0.16 0.00 0.00 57.16 57.09 1ner n GLU 63 Cb 0.38 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.61 1ner n GLU 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1ner n VAL 64 N -1.15 1.66 0.20 3.84 0.31 0.08 -3.89 118.33 119.38 1ner n VAL 64 Ca 0.00 -0.66 0.12 0.00 -0.01 0.00 0.00 64.34 63.78 1ner n VAL 64 Cb 0.00 -1.48 0.06 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.04 0.00 -2.18 2.52 2.04 -1.46 -3.40 117.51 115.07 1ner h ILE 65 Ca -0.46 -0.91 -0.58 0.00 1.00 0.00 0.00 64.86 63.91 1ner h ILE 65 Cb 2.01 1.51 -0.40 0.00 -0.74 0.00 0.00 36.82 39.20 1ner h ILE 65 CO 0.04 0.00 -0.92 0.79 0.00 0.00 0.00 178.15 178.06 1ner n TRP 66 N -2.65 0.87 0.17 1.37 8.01 -0.83 -2.80 117.44 121.59 1ner n TRP 66 Ca 0.01 -3.74 0.03 0.00 -1.31 0.00 0.00 57.50 52.50 1ner n TRP 66 Cb 0.53 -0.34 0.29 0.00 -2.01 0.00 0.00 31.31 29.78 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 4.37 0.00 -1.29 -0.99 0.13 -1.79 -3.20 132.00 129.23 1ner h PRO 67 Ca 0.14 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.67 1ner h PRO 67 Cb 0.82 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.83 1ner h PRO 67 CO 0.57 0.45 0.85 1.03 -0.23 0.00 0.00 178.00 180.66 1ner h SER 68 N 0.00 0.26 0.00 1.44 0.87 -1.91 0.39 113.55 114.60 1ner h SER 68 Ca -0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1ner h SER 68 Cb 0.94 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1ner h SER 68 CO 0.06 -0.11 -1.95 0.54 -0.53 0.00 0.00 176.83 174.84 1ner n ARG 69 N -4.61 0.63 -3.61 2.24 5.12 -1.21 -4.76 116.66 110.45 1ner n ARG 69 Ca 0.35 -0.19 -0.40 0.00 -1.93 0.00 0.00 57.85 55.68 1ner n ARG 69 Cb 1.35 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 31.07 1ner n ARG 69 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1ner s TYR 70 N -3.44 3.49 -0.42 -1.55 2.02 0.14 -4.89 117.35 112.69 1ner s TYR 70 Ca -0.08 -2.20 0.09 0.00 -0.37 0.00 0.00 57.07 54.52 1ner s TYR 70 Cb 0.13 -3.41 0.35 0.00 -0.40 0.00 0.00 41.96 38.63 1ner s TYR 70 CO 0.86 -0.95 1.07 0.00 -1.57 0.00 0.00 175.55 174.96 1ner n GLN 71 N 4.40 1.05 0.00 -0.62 10.64 -1.24 -4.61 117.38 127.00 1ner n GLN 71 Ca -0.01 -2.30 0.00 0.00 -1.83 0.00 0.00 57.00 52.86 1ner n GLN 71 Cb 0.41 -1.00 0.00 0.00 -0.86 0.00 0.00 30.24 28.79 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 0.13 0.00 -2.21 2.61 0.00 -1.26 -4.90 120.51 114.88 1ner n ALA 72 Ca 0.08 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1ner n ALA 72 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.35 2.98 0.00 0.00 0.00 -1.26 -5.32 107.32 102.37 1ner s GLY 73 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1ner s GLY 73 CO 0.00 1.49 0.00 -1.84 0.00 0.00 0.00 173.10 172.75