#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 4.88 0.06 0.00 0.01 -1.26 -4.96 113.70 112.43 1ner s SER 2 Ca 0.00 1.61 0.22 0.00 1.31 0.00 0.00 55.95 59.09 1ner s SER 2 Cb 0.00 -2.40 -0.11 0.00 0.21 0.00 0.00 66.02 63.71 1ner s SER 2 CO 0.00 -1.77 0.83 -0.46 0.41 0.00 0.00 173.24 172.26 1ner n ASN 3 N -3.33 0.48 0.00 2.44 6.94 -1.26 -4.97 115.26 115.56 1ner n ASN 3 Ca 0.08 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1ner n ASN 3 Cb 0.54 1.13 0.00 0.00 -2.36 0.00 0.00 39.78 39.09 1ner n ASN 3 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ner n GLU 4 N -2.23 0.00 0.00 -3.83 1.02 -1.26 -2.02 120.64 112.32 1ner n GLU 4 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ner n GLU 4 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1ner n GLU 4 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1ner n LYS 5 N 0.00 4.57 0.00 3.49 2.85 -1.26 -4.93 118.16 122.88 1ner n LYS 5 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ner n LYS 5 Cb 0.00 -0.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 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 -0.07 0.00 -0.05 0.58 0.00 -0.86 -3.46 120.51 116.65 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 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 13.03 0.89 -1.43 0.00 3.00 -1.26 -4.99 116.66 125.89 1ner n ARG 7 Ca 0.00 -0.09 -0.29 0.00 -0.01 0.00 0.00 57.85 57.46 1ner n ARG 7 Cb 0.00 -1.44 0.13 0.00 0.00 0.00 0.00 32.46 31.16 1ner n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ner s ASP 8 N -4.60 3.52 -0.25 0.55 1.01 -1.22 -4.76 116.67 110.91 1ner s ASP 8 Ca -0.08 1.13 -0.29 0.00 0.71 0.00 0.00 52.55 54.02 1ner s ASP 8 Cb 0.08 -1.76 -0.02 0.00 1.01 0.00 0.00 42.92 42.23 1ner s ASP 8 CO 0.73 -2.56 1.63 0.26 0.21 0.00 0.00 175.17 175.44 1ner s TRP 9 N -3.16 2.08 0.50 4.23 0.52 -1.17 -4.94 118.94 117.00 1ner s TRP 9 Ca 0.63 0.57 -0.18 0.00 0.02 0.00 0.00 56.10 57.14 1ner s TRP 9 Cb -0.16 -4.03 -0.15 0.00 -1.15 0.00 0.00 33.47 27.98 1ner s TRP 9 CO 0.55 -2.86 -0.11 1.58 0.02 0.00 0.00 176.95 176.13 1ner n HIS 10 N 8.79 -2.83 0.05 -1.98 -0.00 -1.26 -4.31 115.22 113.68 1ner n HIS 10 Ca 0.19 0.47 0.21 0.00 0.46 0.00 0.00 57.72 59.05 1ner n HIS 10 Cb 0.46 -1.70 0.64 0.00 -0.12 0.00 0.00 29.99 29.27 1ner n HIS 10 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1ner h ARG 11 N 0.01 0.00 0.00 1.57 0.11 -1.92 0.92 114.38 115.08 1ner h ARG 11 Ca -0.41 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.45 1ner h ARG 11 Cb 1.45 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.49 1ner h ARG 11 CO 0.42 0.00 -1.55 0.00 0.10 0.00 0.00 179.97 178.94 1ner n ALA 12 N -2.23 1.74 0.21 0.08 0.00 -1.26 -3.23 120.51 115.82 1ner n ALA 12 Ca 0.10 -0.64 0.06 0.00 0.00 0.00 0.00 53.44 52.96 1ner n ALA 12 Cb 0.86 -0.91 0.45 0.00 0.00 0.00 0.00 19.45 19.85 1ner n ALA 12 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ner h ASP 13 N 0.00 0.00 0.13 0.00 5.19 0.61 0.78 116.42 123.13 1ner h ASP 13 Ca -0.22 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 1ner h ASP 13 Cb 1.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.29 1ner h ASP 13 CO 0.06 0.30 -0.06 0.58 -3.12 0.00 0.00 179.24 177.00 1ner h VAL 14 N 0.00 0.30 -0.03 -1.35 2.07 -1.42 -2.80 116.25 113.02 1ner h VAL 14 Ca -0.00 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1ner h VAL 14 Cb 0.66 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ner h VAL 14 CO 0.04 0.09 -0.05 0.40 0.02 0.00 0.00 177.57 178.08 1ner h ILE 15 N -1.02 1.43 0.02 4.57 2.04 -1.52 -1.45 117.51 121.58 1ner h ILE 15 Ca -0.02 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.53 1ner h ILE 15 Cb 0.29 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 1ner h ILE 15 CO 0.03 0.36 -0.22 0.00 0.00 0.00 0.00 178.15 178.31 1ner h ALA 16 N 0.47 -0.30 -0.38 1.87 0.00 0.41 0.53 119.26 121.85 1ner h ALA 16 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ner h ALA 16 Cb 0.61 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1ner h ALA 16 CO 0.01 -0.73 0.19 0.78 0.00 0.00 0.00 179.25 179.50 1ner h GLY 17 N -0.36 0.52 0.99 0.00 0.00 -1.55 -2.38 103.07 100.28 1ner h GLY 17 Ca 0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1ner h GLY 17 CO -0.19 0.10 -0.13 1.41 0.00 0.00 0.00 176.54 177.73 1ner h LEU 18 N 0.39 0.80 -1.73 3.11 3.38 -0.83 -2.72 115.31 117.71 1ner h LEU 18 Ca 0.16 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ner h LEU 18 Cb 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1ner h LEU 18 CO -0.11 1.00 0.00 0.50 0.09 0.00 0.00 178.44 179.92 1ner h LYS 19 N 0.60 0.00 -0.24 1.13 3.64 0.32 -2.32 116.57 119.70 1ner h LYS 19 Ca 0.10 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1ner h LYS 19 Cb 0.67 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1ner h LYS 19 CO 0.05 0.00 0.16 0.87 -2.27 0.00 0.00 179.45 178.26 1ner h LYS 20 N 0.00 0.13 0.00 1.90 1.57 -1.10 -3.36 116.57 115.72 1ner h LYS 20 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ner h LYS 20 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ner h LYS 20 CO 0.00 0.09 0.00 0.54 -0.57 0.00 0.00 179.45 179.51 1ner n ARG 21 N -4.49 0.00 -2.70 3.15 3.00 -0.88 -5.00 116.66 109.75 1ner n ARG 21 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.81 1ner n ARG 21 Cb 0.22 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.78 1ner n ARG 21 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ner n LYS 22 N 0.00 1.29 -4.62 5.56 2.85 -1.25 -5.12 118.16 116.87 1ner n LYS 22 Ca 0.00 -2.01 -0.26 0.00 -1.05 0.00 0.00 58.31 54.99 1ner n LYS 22 Cb 0.00 -0.22 -0.14 0.00 -0.65 0.00 0.00 35.03 34.02 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 -3.52 2.20 -0.16 -5.58 1.43 -1.21 -5.03 118.68 106.81 1ner s LEU 23 Ca 0.19 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1ner s LEU 23 Cb 0.42 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.66 1ner s LEU 23 CO -0.08 0.17 0.37 -0.94 0.23 0.00 0.00 176.35 176.10 1ner s SER 24 N -1.38 -0.37 0.64 2.29 1.04 -1.26 -3.08 113.70 111.57 1ner s SER 24 Ca 0.09 0.82 0.16 0.00 0.48 0.00 0.00 55.95 57.50 1ner s SER 24 Cb -0.09 0.79 0.69 0.00 0.10 0.00 0.00 66.02 67.50 1ner s SER 24 CO 0.03 -0.20 1.32 -0.07 0.98 0.00 0.00 173.24 175.30 1ner h LEU 25 N 7.38 0.00 0.09 2.42 3.38 -1.97 0.79 115.31 127.39 1ner h LEU 25 Ca -0.33 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.35 1ner h LEU 25 Cb 1.16 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.94 1ner h LEU 25 CO 0.27 0.00 -1.22 -1.28 0.09 0.00 0.00 178.44 176.30 1ner h SER 26 N 0.00 0.83 -0.12 -0.43 0.87 -1.95 -2.62 113.55 110.13 1ner h SER 26 Ca 0.18 -0.76 -0.22 0.00 -1.23 0.00 0.00 61.79 59.76 1ner h SER 26 Cb 2.03 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.73 1ner h SER 26 CO -0.00 1.57 -0.76 0.00 -0.53 0.00 0.00 176.83 177.11 1ner h ALA 27 N 0.35 0.35 -0.11 6.23 0.00 0.18 -3.02 119.26 123.23 1ner h ALA 27 Ca -0.18 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 1ner h ALA 27 Cb 1.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1ner h ALA 27 CO 0.23 0.69 -0.13 -0.07 0.00 0.00 0.00 179.25 179.97 1ner h LEU 28 N 0.53 0.16 0.36 0.00 4.07 -1.45 0.87 115.31 119.85 1ner h LEU 28 Ca -0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1ner h LEU 28 Cb 1.38 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1ner h LEU 28 CO 0.15 0.31 -0.17 0.77 -1.08 0.00 0.00 178.44 178.42 1ner h SER 29 N 0.17 -0.41 0.46 -0.43 4.64 -1.35 -2.70 113.55 113.92 1ner h SER 29 Ca 0.03 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 1ner h SER 29 Cb 0.34 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1ner h SER 29 CO 0.02 -0.06 -0.48 0.08 -0.87 0.00 0.00 176.83 175.52 1ner h ARG 30 N -0.81 0.03 0.00 4.77 0.11 -1.41 0.40 114.38 117.46 1ner h ARG 30 Ca -0.05 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.97 1ner h ARG 30 Cb 0.53 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 1ner h ARG 30 CO 0.08 0.50 -0.21 1.96 0.10 0.00 0.00 179.97 182.41 1ner h GLN 31 N 0.02 0.00 0.00 0.08 1.08 -0.78 -3.19 115.11 112.32 1ner h GLN 31 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1ner h GLN 31 Cb 0.86 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.25 1ner h GLN 31 CO 0.06 0.21 -1.84 1.19 -0.95 0.00 0.00 178.83 177.50 1ner n PHE 32 N -3.98 0.00 0.00 2.96 3.01 -1.03 -5.04 117.46 113.38 1ner n PHE 32 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1ner n PHE 32 Cb 0.29 -0.59 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 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 2.19 3.43 3.69 1.37 0.00 0.14 -5.07 105.19 110.93 1ner n GLY 33 Ca -0.19 -1.01 -0.58 0.00 0.00 0.00 0.00 46.02 44.24 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 1.88 -0.87 1.61 4.01 -1.19 -4.73 117.16 117.88 1ner n TYR 34 Ca 0.00 0.64 -0.35 0.00 -0.16 0.00 0.00 57.90 58.03 1ner n TYR 34 Cb 0.00 -2.40 0.09 0.00 -0.31 0.00 0.00 39.34 36.72 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 4.62 -4.33 0.04 -0.72 0.00 -1.26 -4.34 120.51 114.52 1ner n ALA 35 Ca 0.25 -0.90 0.04 0.00 0.00 0.00 0.00 53.44 52.84 1ner n ALA 35 Cb 0.12 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.40 0.46 -0.20 0.00 0.13 -1.89 -2.55 132.00 126.55 1ner h PRO 36 Ca -0.45 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1ner h PRO 36 Cb 1.32 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1ner h PRO 36 CO 0.29 0.31 -0.08 1.79 -0.23 0.00 0.00 178.00 180.08 1ner h THR 37 N 0.47 0.74 0.26 1.56 1.35 -1.96 -1.39 112.91 113.93 1ner h THR 37 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1ner h THR 37 Cb -0.05 0.74 -0.04 0.00 -1.73 0.00 0.00 68.15 67.07 1ner h THR 37 CO -0.03 0.00 -0.51 0.74 -0.25 0.00 0.00 175.52 175.47 1ner h THR 38 N -0.05 0.02 -0.38 6.82 2.02 -1.76 0.34 112.91 119.92 1ner h THR 38 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 1ner h THR 38 Cb 0.20 0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 66.55 1ner h THR 38 CO -0.23 0.00 -0.20 0.25 0.37 0.00 0.00 175.52 175.71 1ner h LEU 39 N -0.84 -0.67 -0.56 2.58 7.12 -1.53 0.44 115.31 121.85 1ner h LEU 39 Ca -0.02 0.15 0.07 0.00 0.13 0.00 0.00 57.88 58.21 1ner h LEU 39 Cb 0.80 0.36 -0.06 0.00 -0.53 0.00 0.00 40.66 41.23 1ner h LEU 39 CO -0.20 -0.23 0.23 0.00 -0.13 0.00 0.00 178.44 178.11 1ner h ALA 40 N 1.11 0.71 0.00 1.25 0.00 -0.72 0.18 119.26 121.79 1ner h ALA 40 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ner h ALA 40 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ner h ALA 40 CO -0.46 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 178.72 1ner n ASN 41 N -4.96 0.59 0.00 0.00 3.02 0.11 -2.23 115.26 111.80 1ner n ASN 41 Ca 0.07 0.70 0.06 0.00 -0.03 0.00 0.00 54.58 55.38 1ner n ASN 41 Cb 0.21 -0.81 0.35 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.76 2.15 0.07 5.41 0.00 0.62 -0.66 120.51 126.35 1ner n ALA 42 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 1ner n ALA 42 Cb 0.13 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.24 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 0.58 -0.16 0.00 3.38 -1.59 -3.42 115.31 114.10 1ner h LEU 43 Ca 0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1ner h LEU 43 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1ner h LEU 43 CO 0.00 1.76 0.00 -1.84 0.09 0.00 0.00 178.44 178.45 1ner n GLU 44 N -3.57 2.31 -2.64 1.13 0.28 -1.16 -5.05 120.64 111.93 1ner n GLU 44 Ca -0.24 -0.08 -0.40 0.00 -0.16 0.00 0.00 57.16 56.27 1ner n GLU 44 Cb 1.07 -0.42 -0.05 0.00 1.43 0.00 0.00 31.44 33.47 1ner n GLU 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ner s ARG 45 N -0.35 4.77 -0.90 3.44 6.06 0.17 -4.90 118.95 127.24 1ner s ARG 45 Ca 0.00 1.61 -0.26 0.00 -2.50 0.00 0.00 55.73 54.58 1ner s ARG 45 Cb 0.00 -3.25 -0.14 0.00 0.06 0.00 0.00 34.95 31.62 1ner s ARG 45 CO 0.00 0.40 2.24 -1.58 -2.50 0.00 0.00 175.30 173.86 1ner s HIS 46 N -1.15 1.31 -0.45 5.12 5.65 -1.26 -4.61 115.29 119.89 1ner s HIS 46 Ca 0.42 1.76 0.03 0.00 0.25 0.00 0.00 55.06 57.53 1ner s HIS 46 Cb -0.28 -3.54 0.23 0.00 -1.18 0.00 0.00 32.58 27.80 1ner s HIS 46 CO 0.35 -1.36 0.92 1.87 -0.65 0.00 0.00 174.74 175.87 1ner n TRP 47 N 17.94 -2.73 0.28 3.88 -0.00 -1.26 -5.00 117.44 130.54 1ner n TRP 47 Ca 0.44 -1.32 0.18 0.00 -0.00 0.00 0.00 57.50 56.81 1ner n TRP 47 Cb 0.45 1.41 0.99 0.00 -0.00 0.00 0.00 31.31 34.15 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 4.22 0.00 0.00 5.87 0.11 -1.93 -1.39 132.00 138.88 1ner h PRO 48 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ner h PRO 48 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ner h PRO 48 CO 0.09 0.00 -0.02 -0.22 -0.21 0.00 0.00 178.00 177.63 1ner h LYS 49 N 0.00 0.00 0.00 1.05 1.63 -1.97 -2.19 116.57 115.09 1ner h LYS 49 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1ner h LYS 49 Cb 0.04 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1ner h LYS 49 CO 0.00 0.02 -0.78 0.78 -3.45 0.00 0.00 179.45 176.02 1ner h GLY 50 N 1.90 0.00 1.57 5.01 0.00 -1.60 -3.06 103.07 106.88 1ner h GLY 50 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1ner h GLY 50 CO 0.00 0.00 -0.60 0.83 0.00 0.00 0.00 176.54 176.78 1ner h GLU 51 N 0.00 0.45 -0.88 4.80 5.08 -1.53 -2.93 114.58 119.56 1ner h GLU 51 Ca -0.01 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1ner h GLU 51 Cb 1.39 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1ner h GLU 51 CO 0.10 0.91 0.53 1.96 -1.00 0.00 0.00 179.01 181.51 1ner h GLN 52 N 0.34 1.20 0.08 2.33 1.08 -1.43 0.20 115.11 118.91 1ner h GLN 52 Ca -0.00 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1ner h GLN 52 Cb 1.14 -0.25 -0.04 0.00 -0.05 0.00 0.00 27.48 28.27 1ner h GLN 52 CO 0.11 0.84 -0.30 0.82 -0.95 0.00 0.00 178.83 179.35 1ner h ILE 53 N 1.21 0.35 0.53 2.54 2.04 -1.42 0.53 117.51 123.29 1ner h ILE 53 Ca 0.32 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.15 1ner h ILE 53 Cb -0.04 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1ner h ILE 53 CO -0.06 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 178.24 1ner h ILE 54 N -0.50 0.25 -0.75 -0.67 2.04 -1.41 -2.94 117.51 113.53 1ner h ILE 54 Ca 0.04 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.53 1ner h ILE 54 Cb 0.55 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1ner h ILE 54 CO -0.20 0.04 0.49 0.00 0.00 0.00 0.00 178.15 178.48 1ner h ALA 55 N -0.88 1.77 -0.71 1.87 0.00 -0.59 0.58 119.26 121.31 1ner h ALA 55 Ca -0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ner h ALA 55 Cb 0.61 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1ner h ALA 55 CO 0.12 0.08 0.47 -0.97 0.00 0.00 0.00 179.25 178.95 1ner h ASN 56 N 0.70 0.71 0.17 0.00 -0.73 0.10 0.03 115.58 116.56 1ner h ASN 56 Ca 0.34 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.48 1ner h ASN 56 Cb 0.40 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1ner h ASN 56 CO -0.12 0.48 -0.12 0.00 -0.37 0.00 0.00 177.43 177.30 1ner h ALA 57 N 1.60 1.62 -0.41 1.57 0.00 -0.69 -0.59 119.26 122.35 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 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ner h ALA 57 CO -0.09 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1ner n LEU 58 N -4.13 3.17 -0.37 0.00 4.77 -0.02 -4.87 117.00 115.55 1ner n LEU 58 Ca -0.02 -1.60 -0.04 0.00 -0.03 0.00 0.00 56.01 54.32 1ner n LEU 58 Cb 0.20 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1ner n LEU 58 CO 0.33 0.56 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.29 1ner n GLU 59 N 0.64 -1.81 -0.89 3.23 -0.58 -0.23 -4.88 120.64 116.11 1ner n GLU 59 Ca 0.16 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1ner n GLU 59 Cb 0.60 -4.35 0.00 0.00 -0.57 0.00 0.00 31.44 27.12 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1ner n THR 60 N -1.44 0.00 -4.15 2.62 5.66 -1.13 -5.02 114.28 110.81 1ner n THR 60 Ca -0.04 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.67 1ner n THR 60 Cb 0.35 -0.45 -0.08 0.00 -1.55 0.00 0.00 70.33 68.60 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 -0.34 2.46 0.59 1.09 1.02 -1.26 -4.31 119.74 118.98 1ner s LYS 61 Ca 0.00 -0.89 0.30 0.00 0.02 0.00 0.00 55.97 55.40 1ner s LYS 61 Cb 0.00 -2.48 1.82 0.00 -0.52 0.00 0.00 37.83 36.65 1ner s LYS 61 CO 0.00 0.53 2.24 -1.00 -0.92 0.00 0.00 175.35 176.20 1ner h PRO 62 N 3.40 0.00 0.00 -1.68 0.13 -1.89 -0.13 132.00 131.82 1ner h PRO 62 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ner h PRO 62 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ner h PRO 62 CO 0.58 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.76 1ner n GLU 63 N -3.78 0.03 -0.01 0.86 1.02 -1.26 -1.17 120.64 116.32 1ner n GLU 63 Ca -0.03 0.46 -0.10 0.00 -0.02 0.00 0.00 57.16 57.48 1ner n GLU 63 Cb 0.10 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 29.80 1ner n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ner h VAL 64 N 0.00 0.86 0.00 2.62 2.07 -1.42 -3.12 116.25 117.26 1ner h VAL 64 Ca 0.00 -2.69 -0.03 0.00 0.82 0.00 0.00 66.70 64.80 1ner h VAL 64 Cb 0.07 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1ner h VAL 64 CO 0.00 0.55 -0.97 0.40 0.02 0.00 0.00 177.57 177.57 1ner h ILE 65 N 0.01 0.11 -2.32 4.57 2.04 -1.39 -3.39 117.51 117.13 1ner h ILE 65 Ca -0.29 -1.20 -0.59 0.00 1.00 0.00 0.00 64.86 63.78 1ner h ILE 65 Cb 2.01 1.66 -0.40 0.00 -0.74 0.00 0.00 36.82 39.35 1ner h ILE 65 CO 0.08 0.06 -0.88 0.79 0.00 0.00 0.00 178.15 178.21 1ner n TRP 66 N -2.77 0.90 0.00 1.37 8.01 -0.32 -3.07 117.44 121.57 1ner n TRP 66 Ca -0.01 -3.74 0.00 0.00 -1.31 0.00 0.00 57.50 52.44 1ner n TRP 66 Cb 0.60 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 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 1.79 0.00 0.00 -0.99 -0.04 -1.18 -3.71 135.00 130.87 1ner n PRO 67 Ca 0.25 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1ner n PRO 67 Cb 0.46 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1ner n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ner n SER 68 N -1.72 0.08 -0.01 3.54 3.41 -1.26 -1.93 113.62 115.73 1ner n SER 68 Ca 0.00 -0.27 0.10 0.00 -0.26 0.00 0.00 58.87 58.45 1ner n SER 68 Cb 0.00 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.04 0.60 -4.04 4.33 5.12 -1.24 -4.92 116.66 116.55 1ner n ARG 69 Ca 0.00 -0.17 -0.36 0.00 -1.93 0.00 0.00 57.85 55.39 1ner n ARG 69 Cb 0.02 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 29.76 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 -3.37 3.37 -0.32 -1.55 2.02 -0.81 -5.06 117.35 111.62 1ner s TYR 70 Ca -0.06 0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.97 1ner s TYR 70 Cb 0.13 -1.96 0.19 0.00 -0.40 0.00 0.00 41.96 39.93 1ner s TYR 70 CO 0.84 0.46 0.67 -1.14 -1.57 0.00 0.00 175.55 174.82 1ner s GLN 71 N -0.48 0.57 -0.48 -0.62 0.74 -1.26 -5.05 119.66 113.07 1ner s GLN 71 Ca 0.10 0.27 0.06 0.00 0.05 0.00 0.00 55.36 55.84 1ner s GLN 71 Cb -0.12 0.18 0.20 0.00 1.10 0.00 0.00 33.01 34.38 1ner s GLN 71 CO 0.02 -0.97 0.69 0.00 -0.55 0.00 0.00 175.29 174.48 1ner n ALA 72 N 5.04 -0.61 -0.29 1.58 0.00 -1.26 -5.13 120.51 119.85 1ner n ALA 72 Ca 0.07 -1.67 0.02 0.00 0.00 0.00 0.00 53.44 51.86 1ner n ALA 72 Cb 0.56 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 2.46 -2.01 0.56 0.00 0.00 -1.26 -5.35 105.19 99.60 1ner n GLY 73 Ca 0.18 -1.39 0.14 0.00 0.00 0.00 0.00 46.02 44.95 1ner n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50