#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 6.56 -0.14 0.00 1.04 -1.26 -3.85 113.70 116.05 1ner s SER 2 Ca 0.00 2.49 -0.00 0.00 0.48 0.00 0.00 55.95 58.92 1ner s SER 2 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1ner s SER 2 CO 0.00 -0.97 0.00 0.59 0.98 0.00 0.00 173.24 173.84 1ner n ASN 3 N 6.83 -7.19 -0.01 7.02 4.13 -1.26 -4.99 115.26 119.80 1ner n ASN 3 Ca 0.18 0.88 -0.01 0.00 1.68 0.00 0.00 54.58 57.31 1ner n ASN 3 Cb 0.41 -3.29 -0.00 0.00 -1.54 0.00 0.00 39.78 35.35 1ner n ASN 3 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ner n GLU 4 N 1.05 0.07 0.00 3.52 0.00 -1.25 -4.93 120.64 119.10 1ner n GLU 4 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1ner n GLU 4 Cb 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 31.44 31.26 1ner n GLU 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1ner n LYS 5 N -2.92 0.99 0.00 5.31 2.85 -1.26 -4.86 118.16 118.27 1ner n LYS 5 Ca -0.02 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1ner n LYS 5 Cb 0.07 -0.33 0.00 0.00 -0.65 0.00 0.00 35.03 34.12 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 -0.16 0.00 -0.03 0.58 0.00 -1.26 -1.83 120.51 117.81 1ner n ALA 6 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ner n ALA 6 Cb 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.38 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 14.00 0.66 -2.36 0.00 5.12 -1.26 -4.94 116.66 127.88 1ner n ARG 7 Ca 0.00 -0.03 -0.33 0.00 -1.93 0.00 0.00 57.85 55.56 1ner n ARG 7 Cb 0.00 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 29.69 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 -5.18 6.23 -0.08 0.55 1.11 -0.76 -4.30 116.67 114.24 1ner s ASP 8 Ca -0.07 1.81 -0.30 0.00 0.18 0.00 0.00 52.55 54.17 1ner s ASP 8 Cb 0.10 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.51 1ner s ASP 8 CO 0.86 -0.86 1.43 0.26 1.18 0.00 0.00 175.17 178.04 1ner s TRP 9 N -2.28 2.56 0.40 4.23 0.52 -0.99 -4.74 118.94 118.64 1ner s TRP 9 Ca 0.64 0.69 -0.22 0.00 0.02 0.00 0.00 56.10 57.23 1ner s TRP 9 Cb -0.15 -3.68 -0.15 0.00 -1.15 0.00 0.00 33.47 28.35 1ner s TRP 9 CO 0.27 -2.60 0.25 1.58 0.02 0.00 0.00 176.95 176.48 1ner n HIS 10 N 6.44 -1.52 -0.12 -1.98 -0.00 -1.26 -4.44 115.22 112.34 1ner n HIS 10 Ca 0.15 0.64 0.27 0.00 0.46 0.00 0.00 57.72 59.24 1ner n HIS 10 Cb 0.44 -1.85 0.66 0.00 -0.12 0.00 0.00 29.99 29.12 1ner n HIS 10 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1ner h ARG 11 N 0.50 0.00 0.00 1.57 2.43 -1.93 1.28 114.38 118.24 1ner h ARG 11 Ca -0.37 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.64 1ner h ARG 11 Cb 1.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.95 1ner h ARG 11 CO 0.49 0.00 -1.35 0.00 -1.51 0.00 0.00 179.97 177.60 1ner h ALA 12 N 1.17 0.65 0.00 2.80 0.00 -1.99 -3.19 119.26 118.70 1ner h ALA 12 Ca 0.39 -0.80 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1ner h ALA 12 Cb 1.98 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 1ner h ALA 12 CO -0.00 0.87 -0.28 -0.44 0.00 0.00 0.00 179.25 179.40 1ner h ASP 13 N 0.00 0.00 0.05 0.00 5.19 0.14 0.83 116.42 122.63 1ner h ASP 13 Ca -0.15 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1ner h ASP 13 Cb 1.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.07 1ner h ASP 13 CO 0.05 0.28 -0.02 0.58 -3.12 0.00 0.00 179.24 177.00 1ner h VAL 14 N 0.00 0.65 -0.01 -1.35 2.07 -1.45 -2.95 116.25 113.22 1ner h VAL 14 Ca -0.00 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1ner h VAL 14 Cb 0.60 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1ner h VAL 14 CO 0.04 0.21 -0.08 0.40 0.02 0.00 0.00 177.57 178.15 1ner h ILE 15 N -0.99 1.56 0.04 4.57 2.04 -1.53 -2.41 117.51 120.79 1ner h ILE 15 Ca -0.01 -1.78 0.02 0.00 1.00 0.00 0.00 64.86 64.10 1ner h ILE 15 Cb 0.40 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 1ner h ILE 15 CO 0.01 0.47 -0.19 0.00 0.00 0.00 0.00 178.15 178.45 1ner h ALA 16 N 0.28 -0.26 -0.30 1.87 0.00 0.50 0.34 119.26 121.69 1ner h ALA 16 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ner h ALA 16 Cb 0.82 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1ner h ALA 16 CO 0.02 -0.69 0.08 0.78 0.00 0.00 0.00 179.25 179.43 1ner h GLY 17 N -0.32 0.35 0.97 0.00 0.00 -1.53 -0.48 103.07 102.06 1ner h GLY 17 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1ner h GLY 17 CO -0.15 0.00 0.09 1.41 0.00 0.00 0.00 176.54 177.89 1ner h LEU 18 N 0.19 0.75 -2.07 3.11 3.38 -1.06 -2.19 115.31 117.43 1ner h LEU 18 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ner h LEU 18 Cb 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ner h LEU 18 CO -0.16 0.81 -0.08 0.11 0.09 0.00 0.00 178.44 179.20 1ner h LYS 19 N 0.66 0.00 -0.66 1.13 1.57 0.42 -2.06 116.57 117.63 1ner h LYS 19 Ca 0.15 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.05 1ner h LYS 19 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1ner h LYS 19 CO 0.01 0.08 0.45 -0.22 -0.57 0.00 0.00 179.45 179.20 1ner h LYS 20 N 0.00 0.37 0.00 3.15 3.64 -0.42 -3.35 116.57 119.96 1ner h LYS 20 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ner h LYS 20 Cb 0.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ner h LYS 20 CO 0.01 0.24 0.00 0.54 -2.27 0.00 0.00 179.45 177.98 1ner n ARG 21 N -4.47 0.00 -2.73 1.90 1.74 -0.83 -4.99 116.66 107.28 1ner n ARG 21 Ca 0.12 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.11 1ner n ARG 21 Cb 0.46 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.99 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 1.14 -4.03 5.56 5.02 -1.20 -5.13 118.16 119.52 1ner n LYS 22 Ca 0.00 -2.23 -0.12 0.00 -2.02 0.00 0.00 58.31 53.94 1ner n LYS 22 Cb 0.00 -0.57 -0.12 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.96 2.21 -0.14 -0.35 1.43 -0.89 -5.00 118.68 112.99 1ner s LEU 23 Ca 0.24 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1ner s LEU 23 Cb 0.39 -0.08 0.04 0.00 0.03 0.00 0.00 46.19 46.57 1ner s LEU 23 CO -0.06 -0.20 0.35 -0.94 0.23 0.00 0.00 176.35 175.74 1ner s SER 24 N -1.30 -0.38 0.57 2.29 1.04 -1.26 -1.85 113.70 112.79 1ner s SER 24 Ca -0.10 0.72 0.47 0.00 0.48 0.00 0.00 55.95 57.52 1ner s SER 24 Cb -0.09 0.69 1.63 0.00 0.10 0.00 0.00 66.02 68.36 1ner s SER 24 CO -0.00 -0.14 1.53 -0.07 0.98 0.00 0.00 173.24 175.54 1ner h LEU 25 N 6.05 0.00 -0.09 2.42 3.38 -1.94 1.70 115.31 126.83 1ner h LEU 25 Ca -0.30 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 1ner h LEU 25 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.95 1ner h LEU 25 CO 0.30 0.00 -0.78 0.28 0.09 0.00 0.00 178.44 178.32 1ner h SER 26 N 0.00 0.84 -0.33 -0.43 0.02 -1.95 -2.78 113.55 108.92 1ner h SER 26 Ca 0.88 -0.67 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1ner h SER 26 Cb 3.67 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 65.92 1ner h SER 26 CO -0.01 1.39 0.09 0.00 -1.14 0.00 0.00 176.83 177.16 1ner h ALA 27 N 0.47 0.37 -0.50 3.77 0.00 0.22 -0.47 119.26 123.11 1ner h ALA 27 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ner h ALA 27 Cb 1.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1ner h ALA 27 CO 0.16 -0.31 0.33 -0.07 0.00 0.00 0.00 179.25 179.35 1ner h LEU 28 N 0.22 0.58 0.21 0.00 -0.00 -1.51 -1.38 115.31 113.44 1ner h LEU 28 Ca 0.15 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1ner h LEU 28 Cb 0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1ner h LEU 28 CO -0.18 0.42 -0.10 0.28 -0.00 0.00 0.00 178.44 178.86 1ner h SER 29 N 0.68 -0.24 0.72 -0.43 0.02 -0.82 -2.78 113.55 110.70 1ner h SER 29 Ca 0.18 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1ner h SER 29 Cb -0.07 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1ner h SER 29 CO -0.04 -0.01 -0.14 0.08 -1.14 0.00 0.00 176.83 175.59 1ner h ARG 30 N -0.48 0.00 -0.17 3.45 0.11 -1.11 0.76 114.38 116.94 1ner h ARG 30 Ca -0.03 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.96 1ner h ARG 30 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1ner h ARG 30 CO 0.05 0.14 -0.30 1.96 0.10 0.00 0.00 179.97 181.92 1ner h GLN 31 N 0.00 0.33 0.00 0.08 4.20 -0.99 -3.27 115.11 115.46 1ner h GLN 31 Ca -0.00 -0.13 -0.35 0.00 0.06 0.00 0.00 58.65 58.23 1ner h GLN 31 Cb 0.53 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 1ner h GLN 31 CO 0.02 0.60 -2.31 1.19 -0.67 0.00 0.00 178.83 177.67 1ner n PHE 32 N -4.11 0.00 0.00 2.96 3.01 -1.06 -5.02 117.46 113.24 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 0.41 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 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 2.01 1.02 0.00 1.37 0.00 0.24 -5.04 105.19 104.79 1ner n GLY 33 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.01 0.00 -3.65 1.61 4.01 -1.22 -4.96 117.16 111.94 1ner n TYR 34 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1ner n TYR 34 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 1ner n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ner s ALA 35 N -2.48 -2.13 0.43 -0.72 0.00 -1.26 -4.97 121.76 110.62 1ner s ALA 35 Ca 0.00 1.92 0.11 0.00 0.00 0.00 0.00 51.96 53.99 1ner s ALA 35 Cb 0.00 -1.56 0.97 0.00 0.00 0.00 0.00 23.12 22.53 1ner s ALA 35 CO 0.00 -0.24 2.01 -1.00 0.00 0.00 0.00 175.76 176.53 1ner h PRO 36 N 2.02 0.44 -0.16 0.00 0.13 -1.90 -1.92 132.00 130.61 1ner h PRO 36 Ca -0.07 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 64.82 1ner h PRO 36 Cb 1.19 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.22 1ner h PRO 36 CO 0.21 0.29 -0.75 1.79 -0.23 0.00 0.00 178.00 179.32 1ner h THR 37 N 0.46 1.29 0.50 1.56 1.35 -1.97 -3.08 112.91 113.02 1ner h THR 37 Ca 0.23 -1.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.11 1ner h THR 37 Cb 0.33 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1ner h THR 37 CO -0.06 0.62 -0.47 0.74 -0.25 0.00 0.00 175.52 176.10 1ner h THR 38 N 0.52 0.00 0.05 6.82 2.02 -1.73 0.27 112.91 120.87 1ner h THR 38 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ner h THR 38 Cb 1.37 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1ner h THR 38 CO 0.15 0.00 -0.51 0.25 0.37 0.00 0.00 175.52 175.78 1ner h LEU 39 N -0.96 -1.56 0.04 2.58 7.12 -1.62 -1.66 115.31 119.25 1ner h LEU 39 Ca -0.06 0.17 0.03 0.00 0.13 0.00 0.00 57.88 58.15 1ner h LEU 39 Cb 0.82 0.59 -0.04 0.00 -0.53 0.00 0.00 40.66 41.50 1ner h LEU 39 CO -0.04 -0.53 -0.26 0.00 -0.13 0.00 0.00 178.44 177.48 1ner h ALA 40 N -0.39 -0.38 0.00 1.25 0.00 -1.45 0.89 119.26 119.17 1ner h ALA 40 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ner h ALA 40 Cb 0.73 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ner h ALA 40 CO -0.32 -0.77 0.10 -1.71 0.00 0.00 0.00 179.25 176.54 1ner n ASN 41 N -5.38 0.05 0.00 0.00 5.15 0.95 -1.04 115.26 114.99 1ner n ASN 41 Ca -0.05 0.43 0.10 0.00 -0.60 0.00 0.00 54.58 54.46 1ner n ASN 41 Cb 0.29 -0.43 0.57 0.00 -0.53 0.00 0.00 39.78 39.67 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ner n ALA 42 N -1.43 2.16 1.66 5.20 0.00 0.31 -2.85 120.51 125.56 1ner n ALA 42 Ca -0.00 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.48 1ner n ALA 42 Cb 0.10 -1.34 0.72 0.00 0.00 0.00 0.00 19.45 18.93 1ner n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ner n LEU 43 N -1.18 0.56 0.00 0.00 4.77 -0.21 -4.43 117.00 116.51 1ner n LEU 43 Ca 0.12 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ner n LEU 43 Cb 0.13 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ner n LEU 43 CO 0.14 0.10 -0.19 -1.84 -1.33 0.00 0.00 177.39 174.27 1ner n GLU 44 N -0.67 0.00 -1.63 3.23 -0.00 -1.13 -5.10 120.64 115.34 1ner n GLU 44 Ca 0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 57.06 1ner n GLU 44 Cb 0.23 -0.52 0.11 0.00 -0.00 0.00 0.00 31.44 31.26 1ner n GLU 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1ner s ARG 45 N -1.58 1.74 -0.44 3.44 1.70 -1.21 -4.97 118.95 117.62 1ner s ARG 45 Ca 0.00 0.40 -0.26 0.00 -0.47 0.00 0.00 55.73 55.40 1ner s ARG 45 Cb 0.00 -1.90 0.02 0.00 -0.57 0.00 0.00 34.95 32.50 1ner s ARG 45 CO 0.00 -1.80 0.95 -1.58 -1.08 0.00 0.00 175.30 171.78 1ner s HIS 46 N -3.29 2.95 -0.44 5.89 5.65 -1.26 -4.87 115.29 119.92 1ner s HIS 46 Ca 0.62 0.51 0.03 0.00 0.25 0.00 0.00 55.06 56.47 1ner s HIS 46 Cb -0.14 -3.94 0.24 0.00 -1.18 0.00 0.00 32.58 27.57 1ner s HIS 46 CO 0.53 -1.05 0.99 1.87 -0.65 0.00 0.00 174.74 176.43 1ner n TRP 47 N 7.13 -2.45 0.27 3.88 -0.00 -1.26 -5.00 117.44 120.01 1ner n TRP 47 Ca 0.07 -1.36 0.15 0.00 -0.00 0.00 0.00 57.50 56.35 1ner n TRP 47 Cb 0.48 1.40 0.79 0.00 -0.00 0.00 0.00 31.31 33.98 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 3.84 0.00 0.00 5.87 0.11 -1.95 0.42 132.00 140.28 1ner h PRO 48 Ca -0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1ner h PRO 48 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ner h PRO 48 CO 0.13 0.00 -0.08 -0.22 -0.21 0.00 0.00 178.00 177.62 1ner h LYS 49 N 0.00 0.00 0.00 1.05 3.11 -2.01 -2.21 116.57 116.52 1ner h LYS 49 Ca 0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1ner h LYS 49 Cb 0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1ner h LYS 49 CO 0.00 0.08 -0.48 0.78 -2.81 0.00 0.00 179.45 177.02 1ner h GLY 50 N 2.21 0.00 1.67 5.01 0.00 -1.31 -2.78 103.07 107.87 1ner h GLY 50 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1ner h GLY 50 CO 0.01 0.00 -0.57 0.83 0.00 0.00 0.00 176.54 176.81 1ner h GLU 51 N 0.00 0.35 -0.68 4.80 4.39 -1.51 -2.95 114.58 118.97 1ner h GLU 51 Ca -0.00 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1ner h GLU 51 Cb 1.06 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1ner h GLU 51 CO 0.06 0.82 0.38 1.96 -1.16 0.00 0.00 179.01 181.07 1ner h GLN 52 N 0.26 0.95 -0.03 2.33 4.20 -1.39 -0.14 115.11 121.29 1ner h GLN 52 Ca -0.00 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.63 1ner h GLN 52 Cb 1.08 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 1ner h GLN 52 CO 0.09 0.71 -0.16 0.82 -0.67 0.00 0.00 178.83 179.62 1ner h ILE 53 N 0.93 0.61 0.28 2.54 2.04 -1.43 0.82 117.51 123.30 1ner h ILE 53 Ca 0.24 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 1ner h ILE 53 Cb 0.03 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1ner h ILE 53 CO -0.04 0.00 -0.13 0.40 0.00 0.00 0.00 178.15 178.38 1ner h ILE 54 N -0.25 0.77 0.00 -0.67 2.04 -1.45 -2.79 117.51 115.16 1ner h ILE 54 Ca 0.06 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1ner h ILE 54 Cb 0.33 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1ner h ILE 54 CO -0.17 0.09 -0.05 0.00 0.00 0.00 0.00 178.15 178.03 1ner h ALA 55 N 0.03 1.69 -0.00 1.87 0.00 -0.89 -2.63 119.26 119.33 1ner h ALA 55 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ner h ALA 55 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ner h ALA 55 CO 0.06 0.06 -0.05 -0.97 0.00 0.00 0.00 179.25 178.36 1ner h ASN 56 N 0.00 -0.13 0.31 0.00 -0.73 0.96 -1.80 115.58 114.19 1ner h ASN 56 Ca -0.00 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 1ner h ASN 56 Cb 0.10 0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 1ner h ASN 56 CO 0.01 -0.07 -0.10 0.00 -0.37 0.00 0.00 177.43 176.90 1ner h ALA 57 N 0.92 1.33 -0.28 1.57 0.00 -1.39 -0.88 119.26 120.52 1ner h ALA 57 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ner h ALA 57 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ner h ALA 57 CO -0.05 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1ner n LEU 58 N -3.69 1.57 -0.66 0.00 4.77 -0.71 -4.85 117.00 113.43 1ner n LEU 58 Ca -0.02 -0.77 -0.06 0.00 -0.03 0.00 0.00 56.01 55.13 1ner n LEU 58 Cb 0.21 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1ner n LEU 58 CO 0.30 0.39 -0.06 -0.62 -1.33 0.00 0.00 177.39 176.07 1ner n GLU 59 N 0.34 -1.64 -2.32 3.23 1.02 -0.34 -4.88 120.64 116.06 1ner n GLU 59 Ca 0.11 0.49 -0.09 0.00 -0.02 0.00 0.00 57.16 57.65 1ner n GLU 59 Cb 0.26 -4.42 -0.00 0.00 -0.02 0.00 0.00 31.44 27.26 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 -1.46 0.00 -4.09 2.62 5.66 -1.02 -5.04 114.28 110.95 1ner n THR 60 Ca -0.06 -0.74 -0.30 0.00 -3.05 0.00 0.00 64.05 59.90 1ner n THR 60 Cb 0.34 -0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 68.73 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 -2.75 2.72 0.56 1.09 3.01 -1.26 -4.42 119.74 118.69 1ner s LYS 61 Ca 0.10 -0.76 0.24 0.00 -1.01 0.00 0.00 55.97 54.55 1ner s LYS 61 Cb -0.01 -2.64 1.53 0.00 -1.01 0.00 0.00 37.83 35.70 1ner s LYS 61 CO 0.06 0.56 2.13 -1.00 0.51 0.00 0.00 175.35 177.60 1ner h PRO 62 N 3.39 0.00 0.00 -1.68 0.13 -1.90 0.63 132.00 132.57 1ner h PRO 62 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ner h PRO 62 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ner h PRO 62 CO 0.63 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 1ner n GLU 63 N -4.13 0.01 -0.03 0.86 1.02 -1.26 -1.47 120.64 115.64 1ner n GLU 63 Ca 0.01 0.51 -0.11 0.00 -0.02 0.00 0.00 57.16 57.55 1ner n GLU 63 Cb 0.26 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 29.99 1ner n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ner n VAL 64 N -1.58 1.60 -0.01 2.62 0.31 0.21 -3.48 118.33 118.00 1ner n VAL 64 Ca -0.00 -0.78 -0.08 0.00 -0.01 0.00 0.00 64.34 63.46 1ner n VAL 64 Cb 0.01 -1.05 -0.14 0.00 -0.91 0.00 0.00 33.84 31.74 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 0.92 -2.14 2.52 2.04 -1.38 -3.41 117.51 116.06 1ner h ILE 65 Ca -0.35 -2.76 -0.58 0.00 1.00 0.00 0.00 64.86 62.17 1ner h ILE 65 Cb 2.05 2.46 -0.40 0.00 -0.74 0.00 0.00 36.82 40.18 1ner h ILE 65 CO 0.07 0.53 -0.89 0.79 0.00 0.00 0.00 178.15 178.64 1ner n TRP 66 N -3.07 1.22 0.51 1.37 8.01 -0.57 -2.34 117.44 122.56 1ner n TRP 66 Ca -0.15 -3.79 0.09 0.00 -1.31 0.00 0.00 57.50 52.33 1ner n TRP 66 Cb 1.04 -0.40 0.37 0.00 -2.01 0.00 0.00 31.31 30.31 1ner n TRP 66 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1ner n PRO 67 N 1.32 0.05 0.00 -0.99 -0.04 -1.23 -4.28 135.00 129.83 1ner n PRO 67 Ca 0.25 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1ner n PRO 67 Cb 0.48 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1ner n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ner n SER 68 N -1.67 0.00 -1.28 3.54 2.88 -1.26 -1.35 113.62 114.48 1ner n SER 68 Ca 0.03 0.46 0.11 0.00 -1.33 0.00 0.00 58.87 58.15 1ner n SER 68 Cb 0.20 -0.18 0.31 0.00 -0.75 0.00 0.00 64.21 63.78 1ner n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ner n ARG 69 N -1.96 2.60 -4.02 -1.46 1.74 -1.26 -4.92 116.66 107.39 1ner n ARG 69 Ca 0.00 -2.49 -0.36 0.00 -0.77 0.00 0.00 57.85 54.23 1ner n ARG 69 Cb 0.00 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 29.82 1ner n ARG 69 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ner s TYR 70 N -1.08 3.37 -0.40 -1.55 2.02 -0.46 -4.99 117.35 114.26 1ner s TYR 70 Ca 0.46 0.29 0.09 0.00 -0.37 0.00 0.00 57.07 57.54 1ner s TYR 70 Cb 0.24 -1.97 0.38 0.00 -0.40 0.00 0.00 41.96 40.22 1ner s TYR 70 CO 0.32 0.46 1.35 0.94 -1.57 0.00 0.00 175.55 177.04 1ner n GLN 71 N 2.63 1.18 -0.03 -0.62 7.27 -1.26 -4.84 117.38 121.72 1ner n GLN 71 Ca -0.18 -1.81 0.13 0.00 0.07 0.00 0.00 57.00 55.20 1ner n GLN 71 Cb 0.54 -0.08 0.29 0.00 2.41 0.00 0.00 30.24 33.40 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 -0.56 2.50 -2.00 1.69 0.00 -1.26 -4.90 120.51 115.98 1ner n ALA 72 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1ner n ALA 72 Cb 0.84 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 1.28 3.18 0.00 0.00 0.00 -1.26 -5.31 105.19 103.08 1ner n GLY 73 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ner n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11