#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsk s PRO 3 N 0.00 3.40 0.00 0.11 0.04 -1.26 -4.96 135.00 132.33 2bsk s PRO 3 Ca 0.00 -0.39 0.20 0.00 0.04 0.00 0.00 61.00 60.84 2bsk s PRO 3 Cb 0.00 -3.05 0.82 0.00 0.04 0.00 0.00 34.50 32.31 2bsk s PRO 3 CO 0.00 0.64 1.57 -0.11 0.04 0.00 0.00 177.00 179.15 2bsk n LEU 4 N 0.68 1.20 0.16 -3.56 7.94 -1.26 -4.07 117.00 118.09 2bsk n LEU 4 Ca -0.09 -0.50 -0.14 0.00 -1.11 0.00 0.00 56.01 54.17 2bsk n LEU 4 Cb 0.52 -0.08 -0.08 0.00 0.53 0.00 0.00 43.42 44.31 2bsk n LEU 4 CO 0.47 0.25 0.70 0.03 -1.11 0.00 0.00 177.39 177.73 2bsk h ARG 5 N 1.58 -0.35 -0.43 1.96 2.47 -1.98 -3.07 114.38 114.57 2bsk h ARG 5 Ca 0.00 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.83 2bsk h ARG 5 Cb 0.35 0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 28.66 2bsk h ARG 5 CO 0.00 -0.13 -0.09 0.00 0.56 0.00 0.00 179.97 180.31 2bsk n ALA 6 N -2.33 0.12 0.14 0.04 0.00 -1.26 0.13 120.51 117.34 2bsk n ALA 6 Ca -0.10 0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 2bsk n ALA 6 Cb 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 2bsk n ALA 6 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2bsk h GLN 7 N 0.00 -0.36 0.00 0.00 -0.00 -1.84 -2.75 115.11 110.17 2bsk h GLN 7 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 2bsk h GLN 7 Cb 0.34 0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.90 2bsk h GLN 7 CO -0.44 -0.24 0.00 1.04 -0.00 0.00 0.00 178.83 179.20 2bsk n GLN 8 N -3.11 0.12 0.08 0.06 3.00 0.24 -3.06 117.38 114.70 2bsk n GLN 8 Ca -0.05 0.44 -0.06 0.00 -0.01 0.00 0.00 57.00 57.33 2bsk n GLN 8 Cb 0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 30.24 28.58 2bsk n GLN 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2bsk h LEU 9 N 0.00 -0.25 -1.70 1.08 5.85 0.12 -3.19 115.31 117.21 2bsk h LEU 9 Ca 0.00 -0.05 0.51 0.00 0.84 0.00 0.00 57.88 59.18 2bsk h LEU 9 Cb 0.22 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 2bsk h LEU 9 CO 0.00 0.23 1.20 0.00 -0.34 0.00 0.00 178.44 179.53 2bsk n ALA 10 N -2.74 1.64 0.00 1.25 0.00 -1.05 0.22 120.51 119.84 2bsk n ALA 10 Ca -0.04 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2bsk n ALA 10 Cb 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2bsk n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bsk n ALA 11 N -2.77 0.76 1.97 0.00 0.00 -1.21 -0.61 120.51 118.66 2bsk n ALA 11 Ca 0.41 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.97 2bsk n ALA 11 Cb 1.77 -0.74 0.71 0.00 0.00 0.00 0.00 19.45 21.19 2bsk n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2bsk n GLU 12 N -1.35 1.03 0.00 0.00 -0.00 0.60 -3.78 120.64 117.13 2bsk n GLU 12 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2bsk n GLU 12 Cb 0.12 -1.38 0.00 0.00 -0.00 0.00 0.00 31.44 30.18 2bsk n GLU 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2bsk n LEU 13 N -0.83 0.00 -0.29 -1.84 4.77 0.23 0.16 117.00 119.19 2bsk n LEU 13 Ca 0.18 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2bsk n LEU 13 Cb 0.09 -0.29 0.19 0.00 -2.33 0.00 0.00 43.42 41.08 2bsk n LEU 13 CO 0.14 -0.29 1.27 1.05 -1.33 0.00 0.00 177.39 178.22 2bsk h GLU 14 N 0.00 1.13 0.33 3.23 4.11 -1.84 -2.91 114.58 118.62 2bsk h GLU 14 Ca 0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 2bsk h GLU 14 Cb 0.38 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2bsk h GLU 14 CO 0.00 0.74 -0.16 0.28 0.07 0.00 0.00 179.01 179.95 2bsk h VAL 15 N 1.16 0.67 -0.08 -1.06 2.07 0.12 -3.41 116.25 115.72 2bsk h VAL 15 Ca 0.32 -0.51 -0.45 0.00 0.82 0.00 0.00 66.70 66.88 2bsk h VAL 15 Cb -0.12 0.93 0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2bsk h VAL 15 CO -0.07 0.10 1.28 1.21 0.02 0.00 0.00 177.57 180.11 2bsk n GLU 16 N -5.16 0.60 0.00 1.57 2.13 -1.10 -4.70 120.64 113.98 2bsk n GLU 16 Ca -0.10 -1.55 0.00 0.00 0.66 0.00 0.00 57.16 56.17 2bsk n GLU 16 Cb 0.26 -3.07 0.00 0.00 0.27 0.00 0.00 31.44 28.91 2bsk n GLU 16 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2bsk n ALA 19 N 11.63 0.00 0.00 4.31 0.00 -1.26 -5.10 120.51 130.08 2bsk n ALA 19 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2bsk n ALA 19 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2bsk n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bsk n ASP 20 N 4.08 0.00 0.00 0.00 -0.08 -1.26 -0.89 116.55 118.39 2bsk n ASP 20 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2bsk n ASP 20 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2bsk n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bsk n TYR 22 N 0.00 0.00 0.00 -0.67 9.36 -1.26 -2.08 117.16 122.51 2bsk n TYR 22 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2bsk n TYR 22 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2bsk n TYR 22 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2bsk n ASN 23 N 0.00 0.00 -0.07 2.98 3.02 -0.07 -1.23 115.26 119.89 2bsk n ASN 23 Ca 0.00 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2bsk n ASN 23 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2bsk n ASN 23 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2bsk n ARG 24 N -2.24 0.00 0.00 3.52 5.12 -0.88 -1.36 116.66 120.82 2bsk n ARG 24 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2bsk n ARG 24 Cb 0.00 -0.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.96 2bsk n ARG 24 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2bsk n THR 26 N 0.00 0.00 0.17 0.55 -1.04 -0.36 -0.72 114.28 112.88 2bsk n THR 26 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 2bsk n THR 26 Cb 0.00 0.00 0.79 0.00 -1.82 0.00 0.00 70.33 69.30 2bsk n THR 26 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2bsk h SER 27 N 0.00 0.00 0.42 8.00 0.87 -1.49 -0.80 113.55 120.55 2bsk h SER 27 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 2bsk h SER 27 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2bsk h SER 27 CO 0.00 0.00 -1.49 0.00 -0.53 0.00 0.00 176.83 174.81 2bsk h ALA 28 N 1.76 0.13 0.00 6.23 0.00 -1.17 -2.86 119.26 123.35 2bsk h ALA 28 Ca 0.11 -1.01 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 2bsk h ALA 28 Cb 0.57 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2bsk h ALA 28 CO -0.00 1.00 -0.45 0.00 0.00 0.00 0.00 179.25 179.80 2bsk h HIS 30 N 0.00 -1.05 0.00 0.00 6.17 -1.25 0.56 115.15 119.58 2bsk h HIS 30 Ca -0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2bsk h HIS 30 Cb 0.85 0.35 0.00 0.00 2.52 0.00 0.00 27.41 31.13 2bsk h HIS 30 CO 0.00 -0.65 0.12 -0.09 0.71 0.00 0.00 177.93 178.02 2bsk h ARG 31 N -1.27 0.00 0.02 5.26 2.43 -1.44 -0.10 114.38 119.28 2bsk h ARG 31 Ca -0.12 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.67 2bsk h ARG 31 Cb 0.87 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.36 2bsk h ARG 31 CO 0.19 0.00 -2.38 1.63 -1.51 0.00 0.00 179.97 177.90 2bsk n LYS 32 N -2.66 0.67 -0.00 0.20 4.76 -0.84 -4.74 118.16 115.55 2bsk n LYS 32 Ca -0.02 0.17 0.08 0.00 -2.87 0.00 0.00 58.31 55.67 2bsk n LYS 32 Cb 0.17 -1.56 -0.10 0.00 -1.84 0.00 0.00 35.03 31.70 2bsk n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bsk s VAL 34 N -2.62 1.95 0.51 0.00 1.01 -0.11 -4.65 120.40 116.50 2bsk s VAL 34 Ca 0.05 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 59.99 2bsk s VAL 34 Cb 0.12 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 2bsk s VAL 34 CO 0.68 -0.34 1.20 -2.16 0.00 0.00 0.00 175.10 174.48 2bsk s PRO 35 N 1.13 3.45 0.00 2.72 0.04 -1.26 -4.71 135.00 136.37 2bsk s PRO 35 Ca 0.02 1.85 0.04 0.00 0.04 0.00 0.00 61.00 62.94 2bsk s PRO 35 Cb -0.19 -2.24 0.18 0.00 0.04 0.00 0.00 34.50 32.29 2bsk s PRO 35 CO -0.09 -0.83 0.94 -0.35 0.04 0.00 0.00 177.00 176.72 2bsk n PRO 36 N -0.89 0.05 -0.04 0.56 -0.04 -1.26 -3.40 135.00 129.98 2bsk n PRO 36 Ca 0.10 0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.65 2bsk n PRO 36 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 2bsk n PRO 36 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bsk h HIS 37 N 0.00 0.81 -5.79 0.54 3.86 -2.01 -3.47 115.15 109.09 2bsk h HIS 37 Ca 0.00 -0.34 -0.35 0.00 -1.16 0.00 0.00 60.37 58.52 2bsk h HIS 37 Cb 0.03 -0.13 0.13 0.00 1.06 0.00 0.00 27.41 28.50 2bsk h HIS 37 CO 0.00 1.12 -0.83 0.66 0.86 0.00 0.00 177.93 179.75 2bsk n TYR 38 N -4.17 -2.14 -0.07 2.45 4.02 -1.22 -4.87 117.16 111.15 2bsk n TYR 38 Ca -0.07 0.84 -0.08 0.00 -0.01 0.00 0.00 57.90 58.58 2bsk n TYR 38 Cb 0.61 -4.47 -0.02 0.00 -0.02 0.00 0.00 39.34 35.44 2bsk n TYR 38 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 2bsk h LYS 39 N -1.69 -0.24 -5.44 -0.72 1.63 -1.91 -3.43 116.57 104.78 2bsk h LYS 39 Ca -0.61 0.02 -0.51 0.00 -0.85 0.00 0.00 60.65 58.70 2bsk h LYS 39 Cb 1.34 0.06 -0.14 0.00 -0.60 0.00 0.00 32.23 32.89 2bsk h LYS 39 CO 0.50 -0.16 -0.64 -1.83 -3.45 0.00 0.00 179.45 173.87 2bsk s GLU 40 N -6.05 1.66 -0.05 1.90 -1.05 -1.26 -5.08 118.70 108.76 2bsk s GLU 40 Ca -0.15 -1.89 -0.17 0.00 -0.15 0.00 0.00 54.97 52.61 2bsk s GLU 40 Cb 0.13 -1.14 -0.31 0.00 -0.44 0.00 0.00 34.13 32.37 2bsk s GLU 40 CO 0.68 -0.06 0.77 0.00 0.95 0.00 0.00 175.26 177.60 2bsk h ALA 41 N 2.12 0.02 -2.27 -0.84 0.00 -2.01 -3.47 119.26 112.82 2bsk h ALA 41 Ca -0.41 -0.93 -0.50 0.00 0.00 0.00 0.00 54.91 53.07 2bsk h ALA 41 Cb 1.24 0.30 0.18 0.00 0.00 0.00 0.00 17.79 19.51 2bsk h ALA 41 CO 0.71 0.69 0.21 -1.83 0.00 0.00 0.00 179.25 179.03 2bsk s GLU 42 N -2.50 0.95 -0.07 0.00 -1.05 -1.26 -4.93 118.70 109.83 2bsk s GLU 42 Ca -0.15 1.30 -0.30 0.00 -0.15 0.00 0.00 54.97 55.67 2bsk s GLU 42 Cb 0.03 -1.74 -0.02 0.00 -0.44 0.00 0.00 34.13 31.96 2bsk s GLU 42 CO 0.84 -2.60 1.12 -0.51 0.95 0.00 0.00 175.26 175.06 2bsk s LEU 43 N -6.55 4.27 0.68 1.83 1.43 -1.26 -4.99 118.68 114.09 2bsk s LEU 43 Ca 0.66 1.70 -0.17 0.00 -1.03 0.00 0.00 54.13 55.29 2bsk s LEU 43 Cb -0.22 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2bsk s LEU 43 CO 0.59 -0.52 0.81 -0.24 0.23 0.00 0.00 176.35 177.21 2bsk n SER 44 N 5.08 -0.04 0.00 2.29 2.88 -1.26 -4.73 113.62 117.84 2bsk n SER 44 Ca 0.10 0.68 -0.08 0.00 -1.33 0.00 0.00 58.87 58.24 2bsk n SER 44 Cb 0.47 -1.33 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 2bsk n SER 44 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2bsk h LYS 45 N -0.08 -0.31 -0.40 -1.46 -0.00 -2.00 -1.92 116.57 110.40 2bsk h LYS 45 Ca -0.47 0.02 0.07 0.00 -0.00 0.00 0.00 60.65 60.28 2bsk h LYS 45 Cb 1.35 0.07 -0.09 0.00 -0.00 0.00 0.00 32.23 33.56 2bsk h LYS 45 CO 0.47 -0.21 -0.39 0.78 -0.00 0.00 0.00 179.45 180.09 2bsk h GLY 46 N -0.33 -0.45 -0.87 0.07 0.00 -1.97 0.38 103.07 99.91 2bsk h GLY 46 Ca 0.01 0.50 0.31 0.00 0.00 0.00 0.00 47.33 48.16 2bsk h GLY 46 CO -0.22 -0.19 0.28 1.18 0.00 0.00 0.00 176.54 177.58 2bsk n GLU 47 N -5.42 -0.06 -0.02 4.80 1.02 -0.88 0.43 120.64 120.51 2bsk n GLU 47 Ca 0.00 1.25 -0.15 0.00 -0.02 0.00 0.00 57.16 58.24 2bsk n GLU 47 Cb 0.35 -2.13 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 2bsk n GLU 47 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bsk h SER 48 N 0.00 0.85 0.84 1.62 0.87 0.41 0.16 113.55 118.29 2bsk h SER 48 Ca 0.65 -0.52 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2bsk h SER 48 Cb 1.59 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2bsk h SER 48 CO -0.74 1.30 -0.40 0.58 -0.53 0.00 0.00 176.83 177.05 2bsk h VAL 49 N 0.52 0.07 -0.65 2.23 2.07 1.09 -1.20 116.25 120.37 2bsk h VAL 49 Ca -0.03 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.48 2bsk h VAL 49 Cb 1.31 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 2bsk h VAL 49 CO 0.14 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.91 2bsk h LEU 51 N 0.31 0.76 -0.24 0.00 3.38 -0.56 0.16 115.31 119.12 2bsk h LEU 51 Ca 0.35 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.38 2bsk h LEU 51 Cb 0.53 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2bsk h LEU 51 CO -0.41 0.50 -0.00 0.44 0.09 0.00 0.00 178.44 179.05 2bsk h ASP 52 N 0.90 -0.10 -0.12 -0.43 3.32 0.58 -0.67 116.42 119.90 2bsk h ASP 52 Ca 0.34 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 2bsk h ASP 52 Cb 0.14 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2bsk h ASP 52 CO -0.16 -0.02 -0.15 0.03 -1.72 0.00 0.00 179.24 177.22 2bsk h ARG 53 N 0.07 0.32 0.27 3.56 3.08 -0.75 -2.95 114.38 117.98 2bsk h ARG 53 Ca 0.12 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2bsk h ARG 53 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2bsk h ARG 53 CO -0.20 0.74 -0.42 0.00 -1.07 0.00 0.00 179.97 179.02 2bsk h VAL 55 N -0.75 0.52 0.03 0.00 2.07 -1.20 0.36 116.25 117.29 2bsk h VAL 55 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2bsk h VAL 55 Cb 0.72 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2bsk h VAL 55 CO -0.15 0.00 -0.02 -1.28 0.02 0.00 0.00 177.57 176.14 2bsk h SER 56 N 0.00 -0.04 -0.94 0.57 0.87 -0.96 -3.23 113.55 109.82 2bsk h SER 56 Ca 0.36 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 61.17 2bsk h SER 56 Cb 1.52 0.01 -0.17 0.00 -0.44 0.00 0.00 62.40 63.32 2bsk h SER 56 CO -0.00 0.08 0.05 0.11 -0.53 0.00 0.00 176.83 176.54 2bsk h LYS 57 N -0.26 0.04 -0.47 2.24 1.57 0.31 0.18 116.57 120.18 2bsk h LYS 57 Ca -0.00 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2bsk h LYS 57 Cb 0.03 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2bsk h LYS 57 CO 0.01 0.03 0.19 -0.92 -0.57 0.00 0.00 179.45 178.18 2bsk h TYR 58 N 0.04 0.34 0.39 -1.35 3.20 -0.44 -0.63 116.97 118.52 2bsk h TYR 58 Ca 0.57 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.45 2bsk h TYR 58 Cb 1.15 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2bsk h TYR 58 CO -0.46 0.13 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.68 2bsk h LEU 59 N 0.38 -1.25 -0.01 2.82 3.38 -0.67 0.35 115.31 120.31 2bsk h LEU 59 Ca 0.22 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2bsk h LEU 59 Cb 0.20 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2bsk h LEU 59 CO -0.20 -0.57 -0.01 0.44 0.09 0.00 0.00 178.44 178.19 2bsk h ASP 60 N -0.85 -0.03 -1.48 -0.43 3.45 -1.01 0.54 116.42 116.61 2bsk h ASP 60 Ca -0.05 0.00 0.43 0.00 0.43 0.00 0.00 57.03 57.84 2bsk h ASP 60 Cb 0.75 0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 39.47 2bsk h ASP 60 CO -0.09 -0.00 1.06 0.40 -1.57 0.00 0.00 179.24 179.04 2bsk h ILE 61 N -0.00 0.26 0.00 0.35 1.08 -1.05 0.82 117.51 118.97 2bsk h ILE 61 Ca 0.00 -0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.25 2bsk h ILE 61 Cb 0.01 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.01 2bsk h ILE 61 CO -0.01 0.00 -0.93 -0.74 -0.69 0.00 0.00 178.15 175.78 2bsk h HIS 62 N 0.01 0.52 0.48 1.37 2.76 0.22 -3.32 115.15 117.19 2bsk h HIS 62 Ca 0.71 -0.29 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 2bsk h HIS 62 Cb 2.82 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 31.73 2bsk h HIS 62 CO -0.00 1.10 -0.23 0.93 -1.30 0.00 0.00 177.93 178.43 2bsk h GLU 63 N 0.19 -0.62 -1.57 5.26 3.07 0.30 -1.72 114.58 119.48 2bsk h GLU 63 Ca -0.07 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2bsk h GLU 63 Cb 1.57 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 2bsk h GLU 63 CO 0.16 -0.32 0.00 2.89 -1.40 0.00 0.00 179.01 180.34 2bsk n ARG 64 N -5.25 0.00 0.00 2.33 1.85 -0.63 -0.31 116.66 114.65 2bsk n ARG 64 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 2bsk n ARG 64 Cb 0.31 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 2bsk n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bsk n GLY 66 N 0.84 0.00 0.00 2.89 0.00 -0.65 -1.08 105.19 107.19 2bsk n GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bsk n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bsk n LYS 67 N 0.00 0.00 -0.27 1.61 5.02 0.58 -0.57 118.16 124.53 2bsk n LYS 67 Ca 0.00 0.87 -0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2bsk n LYS 67 Cb 0.00 -1.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.65 2bsk n LYS 67 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2bsk h LYS 68 N 0.00 -0.05 -0.57 1.97 2.10 -1.37 -1.65 116.57 117.00 2bsk h LYS 68 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.76 2bsk h LYS 68 Cb 0.00 0.01 -0.11 0.00 -0.90 0.00 0.00 32.23 31.23 2bsk h LYS 68 CO 0.00 -0.03 -0.29 1.25 -2.00 0.00 0.00 179.45 178.38 2bsk h LEU 69 N -0.05 -1.00 -1.31 7.07 5.85 -1.05 0.30 115.31 125.13 2bsk h LEU 69 Ca 0.34 0.21 -0.07 0.00 0.84 0.00 0.00 57.88 59.20 2bsk h LEU 69 Cb 0.58 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2bsk h LEU 69 CO -0.81 -0.29 -0.34 0.71 -0.34 0.00 0.00 178.44 177.37 2bsk h THR 70 N -0.14 1.20 0.10 1.05 1.35 -0.29 -3.09 112.91 113.10 2bsk h THR 70 Ca 0.24 -1.20 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2bsk h THR 70 Cb 0.53 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2bsk h THR 70 CO -0.65 0.34 -0.09 -0.08 -0.25 0.00 0.00 175.52 174.78 2bsk h GLU 71 N 0.00 -0.18 0.00 4.72 4.81 0.31 -0.98 114.58 123.26 2bsk h GLU 71 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2bsk h GLU 71 Cb 0.63 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2bsk h GLU 71 CO 0.04 -0.12 0.00 1.28 -0.73 0.00 0.00 179.01 179.49 2bsk n LEU 72 N -2.80 0.00 -1.35 1.64 4.77 -0.65 -2.61 117.00 115.99 2bsk n LEU 72 Ca -0.02 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.91 2bsk n LEU 72 Cb 0.08 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.39 2bsk n LEU 72 CO 0.05 0.00 0.82 -1.20 -1.33 0.00 0.00 177.39 175.73 2bsk n SER 73 N -0.33 3.24 -2.15 -1.43 7.64 -0.37 -4.38 113.62 115.83 2bsk n SER 73 Ca 0.00 -3.52 -0.09 0.00 1.01 0.00 0.00 58.87 56.27 2bsk n SER 73 Cb 0.00 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.52 2bsk n SER 73 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2bsk n GLN 75 N -0.89 -0.94 -0.20 1.43 7.27 -1.07 -4.82 117.38 118.16 2bsk n GLN 75 Ca 0.35 0.03 0.09 0.00 0.07 0.00 0.00 57.00 57.55 2bsk n GLN 75 Cb 1.14 -1.01 0.20 0.00 2.41 0.00 0.00 30.24 32.98 2bsk n GLN 75 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2bsk n ASP 76 N 0.10 3.22 -0.59 1.69 5.75 -1.26 -4.54 116.55 120.91 2bsk n ASP 76 Ca 0.03 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 2bsk n ASP 76 Cb 0.10 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 2bsk n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bsk n GLU 77 N 1.14 0.13 -2.35 0.11 1.02 -1.26 -4.54 120.64 114.89 2bsk n GLU 77 Ca 0.17 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.11 2bsk n GLU 77 Cb 0.52 -1.13 -0.01 0.00 -0.02 0.00 0.00 31.44 30.79 2bsk n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2bsk n GLU 78 N 0.53 -1.57 -1.66 3.49 -0.58 -1.26 -4.94 120.64 114.64 2bsk n GLU 78 Ca 0.00 0.96 -0.33 0.00 -0.42 0.00 0.00 57.16 57.38 2bsk n GLU 78 Cb 0.04 -5.55 -0.01 0.00 -0.57 0.00 0.00 31.44 25.35 2bsk n GLU 78 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2bsk n LEU 79 N -2.81 6.95 0.00 -4.62 7.94 -1.26 -4.30 117.00 118.90 2bsk n LEU 79 Ca -0.23 -4.39 0.00 0.00 -1.11 0.00 0.00 56.01 50.27 2bsk n LEU 79 Cb 0.68 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.47 2bsk n LEU 79 CO 0.27 1.73 0.00 2.29 -1.11 0.00 0.00 177.39 180.57 2bsk n LYS 81 N 0.23 0.00 0.10 1.96 2.85 -1.26 -2.08 118.16 119.95 2bsk n LYS 81 Ca 0.51 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.85 2bsk n LYS 81 Cb 0.41 -0.68 0.00 0.00 -0.65 0.00 0.00 35.03 34.12 2bsk n LYS 81 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 2bsk h ARG 82 N 0.00 0.00 0.00 -1.58 0.11 -2.00 -3.31 114.38 107.60 2bsk h ARG 82 Ca 0.00 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.91 2bsk h ARG 82 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2bsk h ARG 82 CO 0.00 0.13 -0.95 0.28 0.10 0.00 0.00 179.97 179.53 2bsk h VAL 83 N 0.00 1.12 0.00 0.08 2.07 -1.80 -3.00 116.25 114.71 2bsk h VAL 83 Ca -0.05 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.80 2bsk h VAL 83 Cb 1.20 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 2bsk h VAL 83 CO 0.02 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.25 2bsk n GLN 84 N -3.20 0.75 -0.01 1.57 3.00 -1.25 -2.91 117.38 115.34 2bsk n GLN 84 Ca -0.03 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2bsk n GLN 84 Cb 0.86 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.56 2bsk n GLN 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2bsk n GLN 85 N -1.07 1.32 0.04 -1.09 6.02 -1.22 -4.64 117.38 116.75 2bsk n GLN 85 Ca 0.19 -0.03 -0.19 0.00 -0.01 0.00 0.00 57.00 56.95 2bsk n GLN 85 Cb 0.13 -1.12 -0.14 0.00 1.02 0.00 0.00 30.24 30.12 2bsk n GLN 85 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2bsk h SER 86 N 0.00 0.44 0.00 1.08 0.87 -1.46 -3.31 113.55 111.17 2bsk h SER 86 Ca -0.05 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.56 2bsk h SER 86 Cb 0.64 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2bsk h SER 86 CO 0.00 1.36 0.00 -0.24 -0.53 0.00 0.00 176.83 177.42 2bsk n SER 87 N -4.16 0.00 -2.47 6.23 2.88 -1.15 -4.78 113.62 110.18 2bsk n SER 87 Ca -0.13 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.40 2bsk n SER 87 Cb 0.79 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.24 2bsk n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bsk n GLY 88 N -0.66 -4.21 0.00 0.46 0.00 -1.24 -4.07 105.19 95.47 2bsk n GLY 88 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2bsk n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bsk n PRO 89 N 0.72 0.00 0.00 1.61 -0.04 -1.26 -5.09 135.00 130.94 2bsk n PRO 89 Ca -0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2bsk n PRO 89 Cb 0.10 0.00 0.60 0.00 -0.04 0.00 0.00 33.50 34.16 2bsk n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46