#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 -2.96 -0.02 0.00 2.88 -1.26 -4.96 113.62 107.30 1ner n SER 2 Ca 0.00 0.64 0.02 0.00 -1.33 0.00 0.00 58.87 58.20 1ner n SER 2 Cb 0.00 2.90 -0.02 0.00 -0.75 0.00 0.00 64.21 66.34 1ner n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ner n ASN 3 N -3.16 0.30 0.00 -3.46 4.05 -1.26 -5.10 115.26 106.63 1ner n ASN 3 Ca 0.00 -0.65 0.00 0.00 0.45 0.00 0.00 54.58 54.38 1ner n ASN 3 Cb 0.00 0.88 0.00 0.00 1.23 0.00 0.00 39.78 41.89 1ner n ASN 3 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1ner n GLU 4 N -0.93 0.00 0.00 1.20 2.13 -1.26 -4.51 120.64 117.27 1ner n GLU 4 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1ner n GLU 4 Cb 0.06 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.77 1ner n GLU 4 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ner n LYS 5 N 0.00 0.00 -1.01 5.31 4.01 -1.26 -4.67 118.16 120.54 1ner n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ner n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ner n ALA 6 N 5.69 0.00 0.53 7.82 0.00 -1.26 -4.94 120.51 128.36 1ner n ALA 6 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1ner n ALA 6 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 2.12 0.00 0.00 5.12 -1.26 -4.93 116.66 117.71 1ner n ARG 7 Ca 0.00 -1.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.19 1ner n ARG 7 Cb 0.00 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 0.91 4.30 -4.60 0.55 8.00 -1.26 -4.37 116.55 120.07 1ner n ASP 8 Ca 0.17 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 1ner n ASP 8 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.08 1.80 1.01 1.24 0.52 -1.22 -4.96 118.94 117.40 1ner s TRP 9 Ca 0.00 0.61 -0.15 0.00 0.02 0.00 0.00 56.10 56.59 1ner s TRP 9 Cb 0.00 -4.13 0.06 0.00 -1.15 0.00 0.00 33.47 28.26 1ner s TRP 9 CO 0.00 -3.00 0.28 1.58 0.02 0.00 0.00 176.95 175.83 1ner n HIS 10 N 10.26 -1.45 -0.22 -1.98 -0.00 -1.26 -4.54 115.22 116.03 1ner n HIS 10 Ca 0.23 0.20 0.18 0.00 -0.00 0.00 0.00 57.72 58.33 1ner n HIS 10 Cb 0.47 -1.71 0.51 0.00 -0.00 0.00 0.00 29.99 29.25 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 -1.75 0.40 0.00 1.57 3.08 -1.93 0.36 114.38 116.12 1ner h ARG 11 Ca -0.47 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.43 1ner h ARG 11 Cb 1.31 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1ner h ARG 11 CO 0.36 0.27 -0.60 0.00 -1.07 0.00 0.00 179.97 178.92 1ner h ALA 12 N 1.62 0.71 0.00 0.04 0.00 -1.99 -2.93 119.26 116.71 1ner h ALA 12 Ca 0.44 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ner h ALA 12 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ner h ALA 12 CO -0.16 0.75 -0.24 -0.44 0.00 0.00 0.00 179.25 179.16 1ner h ASP 13 N 0.00 0.00 0.13 0.00 5.19 -0.57 0.88 116.42 122.04 1ner h ASP 13 Ca -0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1ner h ASP 13 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1ner h ASP 13 CO 0.08 0.24 -0.06 0.58 -3.12 0.00 0.00 179.24 176.95 1ner h VAL 14 N 0.00 0.56 0.03 -1.35 2.07 -1.23 -2.92 116.25 113.41 1ner h VAL 14 Ca -0.00 -1.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.20 1ner h VAL 14 Cb 0.65 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1ner h VAL 14 CO 0.03 0.17 -0.57 0.40 0.02 0.00 0.00 177.57 177.62 1ner h ILE 15 N -0.98 1.48 -0.02 4.57 2.04 -1.48 -1.44 117.51 121.68 1ner h ILE 15 Ca -0.02 -2.16 0.03 0.00 1.00 0.00 0.00 64.86 63.72 1ner h ILE 15 Cb 0.41 2.78 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 1ner h ILE 15 CO 0.03 0.62 -0.20 0.00 0.00 0.00 0.00 178.15 178.60 1ner h ALA 16 N 0.25 -0.23 -0.06 1.87 0.00 0.61 1.24 119.26 122.93 1ner h ALA 16 Ca -0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ner h ALA 16 Cb 1.32 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1ner h ALA 16 CO 0.11 -0.69 0.03 0.78 0.00 0.00 0.00 179.25 179.49 1ner h GLY 17 N -0.31 0.09 0.79 0.00 0.00 -1.60 0.69 103.07 102.73 1ner h GLY 17 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1ner h GLY 17 CO -0.20 0.04 -0.14 1.41 0.00 0.00 0.00 176.54 177.64 1ner h LEU 18 N 0.03 -0.34 -1.26 3.11 3.38 -0.87 -2.16 115.31 117.19 1ner h LEU 18 Ca 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ner h LEU 18 Cb 0.05 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ner h LEU 18 CO -0.00 -0.07 0.00 1.17 0.09 0.00 0.00 178.44 179.63 1ner n LYS 19 N -5.17 0.12 0.21 1.13 4.81 0.42 -1.63 118.16 118.05 1ner n LYS 19 Ca -0.10 0.62 0.11 0.00 -0.87 0.00 0.00 58.31 58.07 1ner n LYS 19 Cb 0.24 -1.91 0.67 0.00 0.02 0.00 0.00 35.03 34.05 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 1.63 -0.16 -3.36 116.57 116.32 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 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 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 -4.45 0.00 -2.70 1.90 1.74 -0.65 -5.00 116.66 107.50 1ner n ARG 21 Ca -0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 1ner n ARG 21 Cb 0.19 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.73 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 1.30 -4.47 5.56 2.85 -1.24 -5.13 118.16 117.03 1ner n LYS 22 Ca 0.00 -2.00 -0.26 0.00 -1.05 0.00 0.00 58.31 55.00 1ner n LYS 22 Cb 0.00 -0.22 -0.13 0.00 -0.65 0.00 0.00 35.03 34.03 1ner n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ner s LEU 23 N -3.54 2.25 -0.16 -5.58 1.43 -1.19 -5.00 118.68 106.88 1ner s LEU 23 Ca 0.19 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1ner s LEU 23 Cb 0.42 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.72 1ner s LEU 23 CO -0.08 0.12 0.37 -0.94 0.23 0.00 0.00 176.35 176.06 1ner s SER 24 N -1.62 -0.38 0.63 2.29 1.04 -1.26 -2.55 113.70 111.85 1ner s SER 24 Ca 0.08 0.83 0.18 0.00 0.48 0.00 0.00 55.95 57.52 1ner s SER 24 Cb -0.10 0.79 0.79 0.00 0.10 0.00 0.00 66.02 67.61 1ner s SER 24 CO 0.03 -0.20 1.38 -0.07 0.98 0.00 0.00 173.24 175.36 1ner h LEU 25 N 7.38 0.00 0.07 2.42 3.38 -1.96 1.29 115.31 127.88 1ner h LEU 25 Ca -0.33 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.44 1ner h LEU 25 Cb 1.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.93 1ner h LEU 25 CO 0.27 0.00 -0.84 0.28 0.09 0.00 0.00 178.44 178.24 1ner h SER 26 N 0.00 0.62 -0.22 -0.43 0.02 -1.94 -2.81 113.55 108.79 1ner h SER 26 Ca 0.21 -0.83 -0.11 0.00 -0.84 0.00 0.00 61.79 60.22 1ner h SER 26 Cb 2.03 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.38 1ner h SER 26 CO -0.00 1.38 -0.31 0.00 -1.14 0.00 0.00 176.83 176.76 1ner h ALA 27 N 0.25 0.34 -0.09 3.77 0.00 0.12 -2.66 119.26 120.98 1ner h ALA 27 Ca -0.12 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1ner h ALA 27 Cb 1.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ner h ALA 27 CO 0.16 0.36 0.08 -0.07 0.00 0.00 0.00 179.25 179.78 1ner h LEU 28 N 0.29 0.00 0.38 0.00 4.07 -1.21 0.03 115.31 118.87 1ner h LEU 28 Ca 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1ner h LEU 28 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1ner h LEU 28 CO 0.07 0.00 -0.18 0.77 -1.08 0.00 0.00 178.44 178.02 1ner h SER 29 N 0.00 -0.43 0.73 -0.43 4.64 -1.19 -3.02 113.55 113.84 1ner h SER 29 Ca 0.04 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1ner h SER 29 Cb 0.20 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1ner h SER 29 CO -0.00 -0.01 -0.25 0.03 -0.87 0.00 0.00 176.83 175.73 1ner h ARG 30 N -0.95 0.00 -0.34 4.77 3.08 -1.32 0.36 114.38 119.97 1ner h ARG 30 Ca -0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1ner h ARG 30 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1ner h ARG 30 CO 0.08 0.25 -0.12 1.96 -1.07 0.00 0.00 179.97 181.08 1ner h GLN 31 N 0.00 0.59 0.00 0.04 4.20 -1.00 -3.25 115.11 115.69 1ner h GLN 31 Ca -0.00 -0.18 -0.26 0.00 0.06 0.00 0.00 58.65 58.27 1ner h GLN 31 Cb 0.68 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 1ner h GLN 31 CO 0.03 0.70 -2.09 1.19 -0.67 0.00 0.00 178.83 177.99 1ner n PHE 32 N -4.19 0.00 0.00 2.96 3.01 -1.13 -5.03 117.46 113.08 1ner n PHE 32 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1ner n PHE 32 Cb 0.34 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 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 1.92 3.40 3.65 1.37 0.00 0.12 -5.08 105.19 110.57 1ner n GLY 33 Ca -0.24 -1.03 -0.58 0.00 0.00 0.00 0.00 46.02 44.18 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 1.66 -0.88 1.61 4.01 -1.19 -4.72 117.16 117.66 1ner n TYR 34 Ca 0.00 0.72 -0.35 0.00 -0.16 0.00 0.00 57.90 58.11 1ner n TYR 34 Cb 0.00 -2.34 0.09 0.00 -0.31 0.00 0.00 39.34 36.78 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 3.78 -4.77 0.08 -0.72 0.00 -1.26 -4.35 120.51 113.28 1ner n ALA 35 Ca 0.24 -1.07 0.01 0.00 0.00 0.00 0.00 53.44 52.62 1ner n ALA 35 Cb 0.11 -1.24 0.33 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.38 0.31 -0.77 0.00 0.13 -1.89 -2.76 132.00 125.64 1ner h PRO 36 Ca -0.45 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 1ner h PRO 36 Cb 1.35 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1ner h PRO 36 CO 0.28 0.47 0.29 1.79 -0.23 0.00 0.00 178.00 180.60 1ner h THR 37 N 0.29 1.26 0.58 1.56 1.35 -1.95 -2.25 112.91 113.75 1ner h THR 37 Ca 0.06 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 65.06 1ner h THR 37 Cb 0.45 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.22 1ner h THR 37 CO 0.03 0.34 -0.49 0.74 -0.25 0.00 0.00 175.52 175.88 1ner h THR 38 N 1.12 0.00 -0.41 6.82 2.02 -1.80 0.15 112.91 120.81 1ner h THR 38 Ca 0.25 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.52 1ner h THR 38 Cb 0.24 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.56 1ner h THR 38 CO -0.02 0.00 -0.18 0.25 0.37 0.00 0.00 175.52 175.94 1ner h LEU 39 N -1.05 -0.61 -0.06 2.58 7.12 -1.55 -1.65 115.31 120.09 1ner h LEU 39 Ca -0.08 0.15 0.03 0.00 0.13 0.00 0.00 57.88 58.12 1ner h LEU 39 Cb 0.89 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 41.32 1ner h LEU 39 CO -0.01 -0.21 -0.17 0.00 -0.13 0.00 0.00 178.44 177.92 1ner h ALA 40 N 1.21 -0.16 0.00 1.25 0.00 -1.10 0.52 119.26 120.99 1ner h ALA 40 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ner h ALA 40 Cb 0.40 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ner h ALA 40 CO -0.47 -0.64 0.17 0.09 0.00 0.00 0.00 179.25 178.40 1ner n ASN 41 N -5.30 0.40 0.00 0.00 5.03 0.50 -0.39 115.26 115.50 1ner n ASN 41 Ca -0.04 0.62 0.10 0.00 0.87 0.00 0.00 54.58 56.13 1ner n ASN 41 Cb 0.22 -0.62 0.53 0.00 -1.02 0.00 0.00 39.78 38.89 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ner n ALA 42 N -1.63 2.11 0.08 5.41 0.00 0.17 -1.10 120.51 125.55 1ner n ALA 42 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.35 1ner n ALA 42 Cb 0.20 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.86 -3.43 115.31 114.40 1ner h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.45 -0.33 -1.84 0.09 0.00 0.00 178.44 176.81 1ner n GLU 44 N -2.96 1.08 -2.45 1.13 0.28 -1.10 -5.06 120.64 111.56 1ner n GLU 44 Ca -0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.54 1ner n GLU 44 Cb 0.76 -0.66 -0.04 0.00 1.43 0.00 0.00 31.44 32.93 1ner n GLU 44 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1ner s ARG 45 N -1.33 4.54 -0.58 3.44 0.52 -0.26 -4.89 118.95 120.40 1ner s ARG 45 Ca 0.00 1.78 -0.26 0.00 -0.52 0.00 0.00 55.73 56.73 1ner s ARG 45 Cb 0.00 -3.27 -0.10 0.00 0.52 0.00 0.00 34.95 32.11 1ner s ARG 45 CO 0.00 -0.01 2.45 0.72 0.02 0.00 0.00 175.30 178.48 1ner n HIS 46 N 2.51 1.29 -2.74 -0.53 8.25 -1.26 -4.70 115.22 118.06 1ner n HIS 46 Ca 0.04 0.14 -0.07 0.00 -0.26 0.00 0.00 57.72 57.56 1ner n HIS 46 Cb 0.46 -2.58 0.05 0.00 1.12 0.00 0.00 29.99 29.03 1ner n HIS 46 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1ner n TRP 47 N 15.51 -2.86 0.17 4.41 -0.00 -1.26 -4.99 117.44 128.41 1ner n TRP 47 Ca 0.41 -1.55 0.10 0.00 -0.00 0.00 0.00 57.50 56.46 1ner n TRP 47 Cb 0.48 1.48 0.52 0.00 -0.00 0.00 0.00 31.31 33.79 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 3.88 0.00 -0.03 5.87 0.11 -1.93 -1.24 132.00 138.67 1ner h PRO 48 Ca -0.16 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.82 1ner h PRO 48 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1ner h PRO 48 CO 0.23 0.00 -0.60 -0.22 -0.21 0.00 0.00 178.00 177.20 1ner h LYS 49 N 0.00 0.09 0.00 1.05 1.63 -1.97 -2.43 116.57 114.94 1ner h LYS 49 Ca 0.00 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.62 1ner h LYS 49 Cb 0.25 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1ner h LYS 49 CO 0.00 0.66 -0.53 0.78 -3.45 0.00 0.00 179.45 176.91 1ner h GLY 50 N 1.66 0.00 1.90 5.01 0.00 -1.60 -2.72 103.07 107.32 1ner h GLY 50 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1ner h GLY 50 CO 0.08 0.00 -0.55 0.83 0.00 0.00 0.00 176.54 176.90 1ner h GLU 51 N 0.00 0.11 -0.36 4.80 5.08 -1.52 -2.96 114.58 119.72 1ner h GLU 51 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ner h GLU 51 Cb 1.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1ner h GLU 51 CO 0.07 0.63 0.17 1.96 -1.00 0.00 0.00 179.01 180.84 1ner h GLN 52 N 0.08 0.53 -0.61 2.33 1.08 -1.12 -1.38 115.11 116.02 1ner h GLN 52 Ca -0.00 -0.08 0.10 0.00 -1.45 0.00 0.00 58.65 57.22 1ner h GLN 52 Cb 1.00 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 28.26 1ner h GLN 52 CO 0.08 0.48 0.20 0.82 -0.95 0.00 0.00 178.83 179.46 1ner h ILE 53 N 0.45 0.72 0.75 2.54 2.04 -1.45 0.76 117.51 123.32 1ner h ILE 53 Ca 0.12 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1ner h ILE 53 Cb 0.13 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1ner h ILE 53 CO -0.01 0.07 -0.36 0.40 0.00 0.00 0.00 178.15 178.24 1ner h ILE 54 N 0.36 0.00 0.00 -0.67 2.04 -1.42 -2.99 117.51 114.82 1ner h ILE 54 Ca 0.31 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1ner h ILE 54 Cb 0.42 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1ner h ILE 54 CO -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 177.81 1ner h ALA 55 N -1.27 1.96 -0.46 1.87 0.00 -1.04 -2.10 119.26 118.22 1ner h ALA 55 Ca -0.10 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ner h ALA 55 Cb 0.78 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1ner h ALA 55 CO 0.17 0.00 0.22 -0.97 0.00 0.00 0.00 179.25 178.67 1ner h ASN 56 N 0.00 0.31 0.19 0.00 -1.24 0.63 -0.56 115.58 114.91 1ner h ASN 56 Ca -0.00 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 1ner h ASN 56 Cb 0.00 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 1ner h ASN 56 CO 0.00 0.22 -0.15 0.00 -1.29 0.00 0.00 177.43 176.21 1ner h ALA 57 N 1.25 1.64 -0.34 1.57 0.00 -1.24 -0.83 119.26 121.32 1ner h ALA 57 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ner h ALA 57 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ner h ALA 57 CO -0.15 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1ner n LEU 58 N -4.20 1.89 -1.12 0.00 4.77 -0.30 -4.87 117.00 113.18 1ner n LEU 58 Ca -0.02 -0.93 -0.10 0.00 -0.03 0.00 0.00 56.01 54.92 1ner n LEU 58 Cb 0.23 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ner n LEU 58 CO 0.35 0.47 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.15 1ner n GLU 59 N 0.53 -1.41 -1.43 3.23 1.02 -0.32 -4.89 120.64 117.37 1ner n GLU 59 Ca 0.13 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1ner n GLU 59 Cb 0.31 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 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 -1.72 0.00 -4.23 2.62 5.66 -0.85 -5.02 114.28 110.73 1ner n THR 60 Ca -0.10 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.60 1ner n THR 60 Cb 0.40 -0.45 -0.09 0.00 -1.55 0.00 0.00 70.33 68.63 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 -1.69 2.29 0.49 1.09 1.02 -1.26 -4.35 119.74 117.33 1ner s LYS 61 Ca 0.00 -0.94 0.14 0.00 0.02 0.00 0.00 55.97 55.20 1ner s LYS 61 Cb 0.00 -2.39 1.17 0.00 -0.52 0.00 0.00 37.83 36.09 1ner s LYS 61 CO 0.00 0.53 2.12 -1.00 -0.92 0.00 0.00 175.35 176.08 1ner h PRO 62 N 3.68 0.14 0.00 -1.68 0.13 -1.91 -0.74 132.00 131.61 1ner h PRO 62 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ner h PRO 62 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ner h PRO 62 CO 0.54 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 1ner n GLU 63 N -4.52 0.00 -0.06 0.86 1.02 -1.26 -1.43 120.64 115.26 1ner n GLU 63 Ca -0.01 0.18 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1ner n GLU 63 Cb 0.11 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.18 1.54 0.16 2.62 0.31 -0.29 -3.61 118.33 117.89 1ner n VAL 64 Ca 0.00 -0.78 0.11 0.00 -0.01 0.00 0.00 64.34 63.67 1ner n VAL 64 Cb 0.00 -0.97 0.08 0.00 -0.91 0.00 0.00 33.84 32.04 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 0.02 -2.05 2.52 5.03 -1.39 -3.39 117.51 118.26 1ner h ILE 65 Ca -0.42 -1.03 -0.55 0.00 -0.12 0.00 0.00 64.86 62.74 1ner h ILE 65 Cb 2.09 1.74 -0.40 0.00 -3.03 0.00 0.00 36.82 37.22 1ner h ILE 65 CO 0.05 0.01 -1.02 0.79 -0.68 0.00 0.00 178.15 177.29 1ner n TRP 66 N -2.88 0.68 0.19 1.37 8.01 -1.05 -3.42 117.44 120.34 1ner n TRP 66 Ca 0.02 -3.74 0.05 0.00 -1.31 0.00 0.00 57.50 52.51 1ner n TRP 66 Cb 0.55 -0.41 0.35 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 3.71 0.00 0.00 -0.99 0.13 -1.76 -3.12 132.00 129.97 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 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ner h PRO 67 CO 0.55 0.39 -0.09 -1.13 -0.23 0.00 0.00 178.00 177.49 1ner n SER 68 N -3.67 0.20 0.01 1.44 3.41 -1.26 -3.44 113.62 110.31 1ner n SER 68 Ca -0.01 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 1ner n SER 68 Cb 0.49 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1ner n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ner n ARG 69 N -1.62 0.36 -4.17 4.33 5.12 -1.18 -4.94 116.66 114.56 1ner n ARG 69 Ca 0.06 -0.05 -0.22 0.00 -1.93 0.00 0.00 57.85 55.71 1ner n ARG 69 Cb 0.35 -1.57 -0.05 0.00 -1.16 0.00 0.00 32.46 30.04 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 -3.26 2.99 -0.48 -1.55 2.02 -1.22 -5.08 117.35 110.76 1ner s TYR 70 Ca 0.01 -0.14 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1ner s TYR 70 Cb 0.14 -1.35 0.19 0.00 -0.40 0.00 0.00 41.96 40.55 1ner s TYR 70 CO 0.85 0.55 0.72 -1.14 -1.57 0.00 0.00 175.55 174.96 1ner s GLN 71 N -3.77 0.96 -0.18 -0.62 2.00 -1.26 -4.90 119.66 111.89 1ner s GLN 71 Ca 0.32 -0.81 0.00 0.00 -2.00 0.00 0.00 55.36 52.88 1ner s GLN 71 Cb -0.08 -0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.73 1ner s GLN 71 CO 0.23 -1.23 0.00 0.00 -0.50 0.00 0.00 175.29 173.79 1ner n ALA 72 N 3.32 -0.03 -1.78 1.58 0.00 -1.26 -4.84 120.51 117.51 1ner n ALA 72 Ca 0.16 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1ner n ALA 72 Cb 0.57 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.11 2.81 0.00 0.00 0.00 -1.26 -5.35 107.32 102.41 1ner s GLY 73 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.20 1ner s GLY 73 CO 0.00 2.21 0.00 -2.21 0.00 0.00 0.00 173.10 173.10