#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 0.00 -0.10 0.00 7.64 -1.26 -4.88 113.62 115.02 1ner n SER 2 Ca 0.00 -1.00 0.14 0.00 1.01 0.00 0.00 58.87 59.02 1ner n SER 2 Cb 0.00 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.78 1ner n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ner n ASN 3 N 0.00 0.46 -3.11 6.43 6.94 -1.26 -4.87 115.26 119.85 1ner n ASN 3 Ca 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 54.58 54.07 1ner n ASN 3 Cb 0.50 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 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 -1.01 -1.34 -2.40 -3.83 4.71 -1.26 -3.54 120.64 111.96 1ner n GLU 4 Ca 0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.15 1ner n GLU 4 Cb 0.29 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.69 1ner n GLU 4 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1ner n LYS 5 N -1.58 -1.01 0.00 3.49 2.85 -1.26 -4.28 118.16 116.36 1ner n LYS 5 Ca 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1ner n LYS 5 Cb 0.00 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 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 -1.66 0.00 -1.16 0.58 0.00 -1.23 -4.97 120.51 112.06 1ner n ALA 6 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ner n ALA 6 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 -0.92 0.00 3.00 -1.25 -5.04 116.66 112.45 1ner n ARG 7 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.85 57.61 1ner n ARG 7 Cb 0.00 -0.05 0.19 0.00 0.00 0.00 0.00 32.46 32.60 1ner n ARG 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ner n ASP 8 N -1.13 -1.54 -4.66 0.55 8.00 -1.26 -4.88 116.55 111.63 1ner n ASP 8 Ca 0.00 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 1ner n ASP 8 Cb 0.00 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 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 -2.66 2.13 0.81 1.24 0.52 -1.15 -4.94 118.94 114.90 1ner s TRP 9 Ca 0.56 0.38 -0.16 0.00 0.02 0.00 0.00 56.10 56.90 1ner s TRP 9 Cb -0.05 -3.85 -0.08 0.00 -1.15 0.00 0.00 33.47 28.34 1ner s TRP 9 CO 0.42 -3.37 -0.02 1.58 0.02 0.00 0.00 176.95 175.59 1ner n HIS 10 N 7.25 -2.65 -0.28 -1.98 -0.00 -1.26 -4.53 115.22 111.76 1ner n HIS 10 Ca 0.17 0.23 0.18 0.00 0.46 0.00 0.00 57.72 58.76 1ner n HIS 10 Cb 0.43 -1.70 0.46 0.00 -0.12 0.00 0.00 29.99 29.06 1ner n HIS 10 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ner h ARG 11 N -0.74 0.49 0.00 1.57 3.08 -2.00 0.50 114.38 117.28 1ner h ARG 11 Ca -0.44 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 1ner h ARG 11 Cb 1.34 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1ner h ARG 11 CO 0.35 0.32 -0.34 0.00 -1.07 0.00 0.00 179.97 179.23 1ner h ALA 12 N 1.61 0.80 0.00 0.04 0.00 -1.99 -2.99 119.26 116.73 1ner h ALA 12 Ca 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1ner h ALA 12 Cb 1.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ner h ALA 12 CO -0.24 0.38 -0.15 -0.44 0.00 0.00 0.00 179.25 178.80 1ner h ASP 13 N 0.00 0.00 0.12 0.00 5.19 -0.27 0.93 116.42 122.39 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 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1ner h ASP 13 CO 0.04 0.15 -0.06 0.58 -3.12 0.00 0.00 179.24 176.83 1ner h VAL 14 N 0.00 0.58 0.03 -1.35 2.07 -1.25 -2.78 116.25 113.56 1ner h VAL 14 Ca -0.00 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 1ner h VAL 14 Cb 0.55 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ner h VAL 14 CO 0.02 0.18 -0.47 0.40 0.02 0.00 0.00 177.57 177.71 1ner h ILE 15 N -0.98 1.52 -0.55 4.57 2.04 -1.49 -1.13 117.51 121.48 1ner h ILE 15 Ca -0.02 -2.16 0.08 0.00 1.00 0.00 0.00 64.86 63.77 1ner h ILE 15 Cb 0.41 2.86 -0.07 0.00 -0.74 0.00 0.00 36.82 39.29 1ner h ILE 15 CO 0.03 0.61 0.20 0.00 0.00 0.00 0.00 178.15 178.98 1ner h ALA 16 N 0.22 0.69 0.11 1.87 0.00 0.72 1.08 119.26 123.95 1ner h ALA 16 Ca -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ner h ALA 16 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ner h ALA 16 CO 0.09 -0.21 -0.05 0.78 0.00 0.00 0.00 179.25 179.86 1ner h GLY 17 N 0.37 -0.15 0.86 0.00 0.00 -1.55 -1.76 103.07 100.84 1ner h GLY 17 Ca 0.27 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1ner h GLY 17 CO -0.28 -0.05 -0.29 1.41 0.00 0.00 0.00 176.54 177.33 1ner h LEU 18 N -0.50 -0.68 -1.15 3.11 3.38 -0.79 -1.99 115.31 116.70 1ner h LEU 18 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ner h LEU 18 Cb 0.41 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ner h LEU 18 CO 0.02 -0.39 0.18 0.50 0.09 0.00 0.00 178.44 178.85 1ner h LYS 19 N -0.96 0.00 -0.07 1.13 3.64 0.14 0.26 116.57 120.71 1ner h LYS 19 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1ner h LYS 19 Cb 0.66 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1ner h LYS 19 CO 0.13 0.00 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.08 1ner h LYS 20 N 0.00 0.09 0.00 1.90 1.63 -0.51 -3.38 116.57 116.31 1ner h LYS 20 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ner h LYS 20 Cb 0.36 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1ner h LYS 20 CO 0.00 0.12 0.00 0.54 -3.45 0.00 0.00 179.45 176.66 1ner n ARG 21 N -4.46 0.00 -2.76 1.90 1.74 0.08 -5.00 116.66 108.16 1ner n ARG 21 Ca -0.02 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 1ner n ARG 21 Cb 0.14 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.66 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 1.11 -4.10 5.56 5.02 -1.24 -5.13 118.16 119.38 1ner n LYS 22 Ca 0.00 -2.27 -0.15 0.00 -2.02 0.00 0.00 58.31 53.87 1ner n LYS 22 Cb 0.00 -0.73 -0.12 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.82 2.27 -0.15 -0.35 1.43 -1.23 -5.01 118.68 112.83 1ner s LEU 23 Ca 0.25 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 1ner s LEU 23 Cb 0.37 -0.29 0.04 0.00 0.03 0.00 0.00 46.19 46.35 1ner s LEU 23 CO -0.06 -0.16 0.39 -0.94 0.23 0.00 0.00 176.35 175.81 1ner s SER 24 N -1.67 -0.43 0.36 2.29 1.04 -1.26 -2.83 113.70 111.20 1ner s SER 24 Ca -0.07 0.81 0.17 0.00 0.48 0.00 0.00 55.95 57.34 1ner s SER 24 Cb -0.10 0.77 1.15 0.00 0.10 0.00 0.00 66.02 67.94 1ner s SER 24 CO 0.01 -0.15 1.66 -0.07 0.98 0.00 0.00 173.24 175.67 1ner h LEU 25 N 6.08 0.47 -1.57 2.42 3.38 -1.98 1.10 115.31 125.21 1ner h LEU 25 Ca -0.30 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ner h LEU 25 Cb 1.18 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1ner h LEU 25 CO 0.28 -0.15 0.18 -1.28 0.09 0.00 0.00 178.44 177.56 1ner h SER 26 N 0.28 0.41 0.01 -0.43 0.87 -1.96 -0.24 113.55 112.50 1ner h SER 26 Ca 0.74 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 61.28 1ner h SER 26 Cb 1.80 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1ner h SER 26 CO -0.58 0.35 -0.01 0.00 -0.53 0.00 0.00 176.83 176.06 1ner h ALA 27 N 1.72 -0.01 0.00 6.23 0.00 0.83 -2.91 119.26 125.12 1ner h ALA 27 Ca 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ner h ALA 27 Cb 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ner h ALA 27 CO -0.02 -0.16 -0.10 -0.07 0.00 0.00 0.00 179.25 178.89 1ner h LEU 28 N -0.71 0.00 0.45 0.00 3.38 -1.22 -1.51 115.31 115.71 1ner h LEU 28 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ner h LEU 28 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ner h LEU 28 CO 0.00 0.10 -0.22 0.77 0.09 0.00 0.00 178.44 179.19 1ner h SER 29 N 0.00 -0.52 0.95 -0.43 4.64 -1.02 -3.07 113.55 114.11 1ner h SER 29 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ner h SER 29 Cb 0.21 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ner h SER 29 CO 0.01 -0.17 0.00 0.08 -0.87 0.00 0.00 176.83 175.89 1ner h ARG 30 N -0.91 0.00 -0.27 4.77 0.11 -1.34 -1.81 114.38 114.92 1ner h ARG 30 Ca -0.06 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 1ner h ARG 30 Cb 0.58 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.64 1ner h ARG 30 CO 0.10 0.00 -0.16 1.96 0.10 0.00 0.00 179.97 181.97 1ner h GLN 31 N 0.00 0.48 0.00 0.08 4.20 -1.18 -3.32 115.11 115.38 1ner h GLN 31 Ca 0.00 -0.15 -0.28 0.00 0.06 0.00 0.00 58.65 58.28 1ner h GLN 31 Cb 0.48 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 1ner h GLN 31 CO 0.00 0.63 -2.05 1.19 -0.67 0.00 0.00 178.83 177.93 1ner n PHE 32 N -4.18 0.00 0.00 2.96 3.01 -1.16 -5.04 117.46 113.05 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 0.35 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 2.33 4.05 3.65 1.37 0.00 -0.69 -5.09 105.19 110.80 1ner n GLY 33 Ca -0.29 -0.86 -0.57 0.00 0.00 0.00 0.00 46.02 44.30 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 1.65 -0.90 1.61 4.01 -1.24 -4.82 117.16 117.48 1ner n TYR 34 Ca 0.00 0.71 -0.34 0.00 -0.16 0.00 0.00 57.90 58.11 1ner n TYR 34 Cb 0.00 -2.34 0.11 0.00 -0.31 0.00 0.00 39.34 36.80 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 3.69 -2.33 0.24 -0.72 0.00 -1.26 -4.42 120.51 115.70 1ner n ALA 35 Ca 0.23 -0.53 0.18 0.00 0.00 0.00 0.00 53.44 53.32 1ner n ALA 35 Cb 0.12 -1.82 0.87 0.00 0.00 0.00 0.00 19.45 18.63 1ner n ALA 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ner h PRO 36 N -1.30 0.00 0.20 0.00 0.10 -1.90 -2.25 132.00 126.85 1ner h PRO 36 Ca -0.44 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 65.65 1ner h PRO 36 Cb 1.30 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.40 1ner h PRO 36 CO 0.36 0.00 -0.10 1.79 0.10 0.00 0.00 178.00 180.15 1ner h THR 37 N 0.00 0.89 0.34 -1.15 1.35 -1.99 -0.65 112.91 111.70 1ner h THR 37 Ca 0.07 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1ner h THR 37 Cb 0.50 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 1ner h THR 37 CO -0.00 0.12 -0.41 0.74 -0.25 0.00 0.00 175.52 175.72 1ner h THR 38 N -0.53 0.00 -0.55 6.82 2.02 -1.72 0.94 112.91 119.89 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 0.40 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.71 1ner h THR 38 CO 0.05 0.00 -0.07 0.25 0.37 0.00 0.00 175.52 176.12 1ner h LEU 39 N -0.76 -0.38 0.19 2.58 5.85 -1.60 0.42 115.31 121.61 1ner h LEU 39 Ca -0.04 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ner h LEU 39 Cb 0.68 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1ner h LEU 39 CO -0.09 -0.14 -0.16 0.00 -0.34 0.00 0.00 178.44 177.71 1ner h ALA 40 N 1.52 -0.92 0.00 1.25 0.00 -0.69 -1.37 119.26 119.06 1ner h ALA 40 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ner h ALA 40 Cb 0.42 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ner h ALA 40 CO -0.51 -0.92 0.02 0.09 0.00 0.00 0.00 179.25 177.93 1ner n ASN 41 N -3.30 0.01 -0.00 0.00 3.02 0.29 -1.68 115.26 113.60 1ner n ASN 41 Ca -0.04 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1ner n ASN 41 Cb 0.15 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.48 2.12 0.02 5.41 0.00 0.15 -1.85 120.51 124.88 1ner n ALA 42 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ner n ALA 42 Cb 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.08 0.00 3.38 -1.46 -3.40 115.31 113.75 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 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ner h LEU 43 CO 0.00 0.98 0.00 -1.84 0.09 0.00 0.00 178.44 177.67 1ner n GLU 44 N -3.19 1.78 -2.37 1.13 -0.00 -1.10 -5.07 120.64 111.81 1ner n GLU 44 Ca -0.08 -0.04 -0.33 0.00 -0.00 0.00 0.00 57.16 56.71 1ner n GLU 44 Cb 0.98 -0.28 -0.02 0.00 -0.00 0.00 0.00 31.44 32.12 1ner n GLU 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1ner s ARG 45 N -0.27 3.68 -0.91 3.44 6.06 -0.77 -4.90 118.95 125.28 1ner s ARG 45 Ca 0.00 1.24 -0.24 0.00 -2.50 0.00 0.00 55.73 54.23 1ner s ARG 45 Cb 0.00 -2.08 -0.04 0.00 0.06 0.00 0.00 34.95 32.88 1ner s ARG 45 CO 0.00 -0.52 1.92 -1.58 -2.50 0.00 0.00 175.30 172.62 1ner s HIS 46 N -2.24 1.85 -0.44 5.12 5.65 -1.26 -4.65 115.29 119.32 1ner s HIS 46 Ca 0.65 0.55 0.03 0.00 0.25 0.00 0.00 55.06 56.53 1ner s HIS 46 Cb -0.15 -4.08 0.24 0.00 -1.18 0.00 0.00 32.58 27.41 1ner s HIS 46 CO 0.27 -1.75 0.97 1.87 -0.65 0.00 0.00 174.74 175.45 1ner n TRP 47 N 13.70 -2.52 0.20 3.88 -0.00 -1.26 -4.99 117.44 126.45 1ner n TRP 47 Ca 0.40 -1.36 0.12 0.00 -0.00 0.00 0.00 57.50 56.66 1ner n TRP 47 Cb 0.47 1.41 0.67 0.00 -0.00 0.00 0.00 31.31 33.85 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 3.92 0.00 0.00 5.87 0.11 -1.93 -0.56 132.00 139.40 1ner h PRO 48 Ca -0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1ner h PRO 48 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1ner h PRO 48 CO 0.13 0.00 -0.23 -0.22 -0.21 0.00 0.00 178.00 177.47 1ner h LYS 49 N 0.00 0.00 0.00 1.05 1.63 -1.98 -2.65 116.57 114.63 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 0.14 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1ner h LYS 49 CO 0.00 0.23 -0.77 0.78 -3.45 0.00 0.00 179.45 176.23 1ner h GLY 50 N 2.32 0.00 2.00 5.01 0.00 -1.45 -2.89 103.07 108.07 1ner h GLY 50 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1ner h GLY 50 CO 0.03 0.00 -0.53 0.83 0.00 0.00 0.00 176.54 176.87 1ner h GLU 51 N 0.00 0.00 -0.79 4.80 5.08 -1.57 -2.46 114.58 119.63 1ner h GLU 51 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ner h GLU 51 Cb 1.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1ner h GLU 51 CO 0.10 0.53 0.43 1.96 -1.00 0.00 0.00 179.01 181.03 1ner h GLN 52 N 0.00 1.11 -0.26 2.33 1.08 -1.31 0.11 115.11 118.17 1ner h GLN 52 Ca -0.01 -0.13 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1ner h GLN 52 Cb 0.94 -0.22 -0.06 0.00 -0.05 0.00 0.00 27.48 28.10 1ner h GLN 52 CO 0.07 0.82 -0.13 0.82 -0.95 0.00 0.00 178.83 179.46 1ner h ILE 53 N 1.10 0.59 0.36 2.54 2.04 -1.38 1.02 117.51 123.79 1ner h ILE 53 Ca 0.28 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 1ner h ILE 53 Cb 0.04 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1ner h ILE 53 CO -0.04 0.00 -0.17 0.40 0.00 0.00 0.00 178.15 178.33 1ner h ILE 54 N -0.10 0.60 0.00 -0.67 2.04 -1.41 -2.92 117.51 115.05 1ner h ILE 54 Ca 0.14 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1ner h ILE 54 Cb 0.31 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1ner h ILE 54 CO -0.32 0.09 -0.01 0.00 0.00 0.00 0.00 178.15 177.91 1ner h ALA 55 N -0.32 1.55 -0.00 1.87 0.00 -0.75 -2.34 119.26 119.27 1ner h ALA 55 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ner h ALA 55 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ner h ALA 55 CO 0.08 0.01 0.00 -0.97 0.00 0.00 0.00 179.25 178.37 1ner h ASN 56 N 0.00 0.00 0.39 0.00 -1.24 0.13 -1.68 115.58 113.18 1ner h ASN 56 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ner h ASN 56 Cb 0.02 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1ner h ASN 56 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1ner h ALA 57 N 1.00 1.00 -0.06 1.57 0.00 -1.36 -0.79 119.26 120.63 1ner h ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ner h ALA 57 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ner h ALA 57 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ner n LEU 58 N -2.87 2.01 -0.22 0.00 4.77 -0.67 -4.89 117.00 115.13 1ner n LEU 58 Ca -0.01 -0.70 -0.03 0.00 -0.03 0.00 0.00 56.01 55.24 1ner n LEU 58 Cb 0.15 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1ner n LEU 58 CO 0.21 0.35 -0.03 1.21 -1.33 0.00 0.00 177.39 177.80 1ner n GLU 59 N 0.56 -1.92 -1.79 3.23 2.13 -0.30 -4.91 120.64 117.64 1ner n GLU 59 Ca 0.17 0.57 -0.03 0.00 0.66 0.00 0.00 57.16 58.54 1ner n GLU 59 Cb 0.43 -4.96 -0.00 0.00 0.27 0.00 0.00 31.44 27.17 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1ner n THR 60 N -1.95 0.00 -4.11 6.31 5.66 -1.10 -5.05 114.28 114.03 1ner n THR 60 Ca -0.03 -0.22 -0.31 0.00 -3.05 0.00 0.00 64.05 60.45 1ner n THR 60 Cb 0.50 -0.40 -0.07 0.00 -1.55 0.00 0.00 70.33 68.81 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 -2.22 2.76 0.59 1.09 1.02 -1.26 -4.46 119.74 117.26 1ner s LYS 61 Ca 0.03 -0.72 0.30 0.00 0.02 0.00 0.00 55.97 55.60 1ner s LYS 61 Cb -0.00 -2.66 1.83 0.00 -0.52 0.00 0.00 37.83 36.48 1ner s LYS 61 CO 0.02 0.57 2.26 -1.00 -0.92 0.00 0.00 175.35 176.27 1ner h PRO 62 N 3.54 0.00 0.00 -1.68 0.13 -1.89 -0.53 132.00 131.57 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ner h PRO 62 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 1ner n GLU 63 N -3.82 0.02 -0.03 0.86 1.02 -1.26 -1.52 120.64 115.91 1ner n GLU 63 Ca -0.03 0.38 -0.10 0.00 -0.02 0.00 0.00 57.16 57.39 1ner n GLU 63 Cb 0.09 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 -1.43 1.61 0.06 2.62 0.31 -0.20 -3.16 118.33 118.14 1ner n VAL 64 Ca 0.01 -0.78 -0.00 0.00 -0.01 0.00 0.00 64.34 63.56 1ner n VAL 64 Cb 0.04 -1.09 -0.06 0.00 -0.91 0.00 0.00 33.84 31.82 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 0.67 -2.13 2.52 2.04 -1.41 -3.39 117.51 115.82 1ner h ILE 65 Ca -0.33 -2.15 -0.58 0.00 1.00 0.00 0.00 64.86 62.80 1ner h ILE 65 Cb 2.04 2.19 -0.40 0.00 -0.74 0.00 0.00 36.82 39.90 1ner h ILE 65 CO 0.07 0.38 -0.88 0.79 0.00 0.00 0.00 178.15 178.51 1ner n TRP 66 N -3.01 1.30 0.07 1.37 8.01 -0.71 -2.93 117.44 121.54 1ner n TRP 66 Ca -0.06 -3.81 -0.10 0.00 -1.31 0.00 0.00 57.50 52.22 1ner n TRP 66 Cb 0.83 -0.41 -0.07 0.00 -2.01 0.00 0.00 31.31 29.65 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 4.19 -0.24 0.00 -0.99 0.13 -1.75 -3.24 132.00 130.09 1ner h PRO 67 Ca 0.13 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ner h PRO 67 Cb 0.79 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ner h PRO 67 CO 0.61 0.14 0.00 0.45 -0.23 0.00 0.00 178.00 178.97 1ner n SER 68 N -4.94 0.00 -0.01 1.44 2.88 -1.26 -1.65 113.62 110.09 1ner n SER 68 Ca -0.07 -0.36 0.09 0.00 -1.33 0.00 0.00 58.87 57.20 1ner n SER 68 Cb 0.25 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.75 0.61 -3.81 -1.46 5.12 -1.22 -4.88 116.66 110.26 1ner n ARG 69 Ca 0.03 -0.15 -0.36 0.00 -1.93 0.00 0.00 57.85 55.44 1ner n ARG 69 Cb 0.01 -1.44 -0.13 0.00 -1.16 0.00 0.00 32.46 29.74 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 3.04 0.00 -1.55 2.02 -0.66 -4.89 117.35 112.07 1ner s TYR 70 Ca -0.05 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1ner s TYR 70 Cb 0.12 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1ner s TYR 70 CO 0.79 -0.46 0.44 0.00 -1.57 0.00 0.00 175.55 174.75 1ner n GLN 71 N 4.87 0.00 -0.36 -0.62 10.64 -1.26 -4.93 117.38 125.71 1ner n GLN 71 Ca -0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.00 1ner n GLN 71 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 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 0.00 1.49 0.87 2.61 0.00 -1.26 -4.91 120.51 119.31 1ner n ALA 72 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1ner n ALA 72 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 1.00 0.60 0.00 0.00 -1.26 -5.32 105.19 100.21 1ner n GLY 73 Ca 0.00 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.49 1ner n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11