#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc h LEU 11 N 0.00 0.32 -0.41 0.00 6.46 -2.03 0.13 115.31 119.78 2jsc h LEU 11 Ca 0.00 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 2jsc h LEU 11 Cb 0.00 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 2jsc h LEU 11 CO 0.00 0.50 0.09 0.00 -0.62 0.00 0.00 178.44 178.40 2jsc h ALA 12 N 1.54 0.54 0.69 1.25 0.00 -2.04 0.16 119.26 121.40 2jsc h ALA 12 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jsc h ALA 12 Cb 0.45 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jsc h ALA 12 CO 0.03 0.24 -0.33 0.00 0.00 0.00 0.00 179.25 179.18 2jsc h ARG 13 N 0.53 -0.89 0.26 0.00 2.47 -1.93 -3.19 114.38 111.63 2jsc h ARG 13 Ca 0.13 0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 2jsc h ARG 13 Cb 0.34 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2jsc h ARG 13 CO 0.00 -0.60 -0.12 1.25 0.56 0.00 0.00 179.97 181.06 2jsc h LEU 14 N -1.13 -0.29 -0.88 3.04 7.12 -0.99 -2.82 115.31 119.36 2jsc h LEU 14 Ca -0.09 -0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.77 2jsc h LEU 14 Cb 0.71 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 2jsc h LEU 14 CO 0.16 -0.17 -0.45 1.23 -0.13 0.00 0.00 178.44 179.08 2jsc h GLY 15 N -0.40 0.26 1.68 3.75 0.00 -0.84 -2.39 103.07 105.13 2jsc h GLY 15 Ca -0.04 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 2jsc h GLY 15 CO 0.06 0.24 -0.68 -0.09 0.00 0.00 0.00 176.54 176.07 2jsc h ARG 16 N 0.19 0.32 -0.07 4.80 1.12 -1.55 0.55 114.38 119.74 2jsc h ARG 16 Ca 0.01 -0.25 -0.08 0.00 -1.11 0.00 0.00 59.98 58.56 2jsc h ARG 16 Cb 0.88 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 2jsc h ARG 16 CO 0.07 0.88 -0.32 0.00 -3.11 0.00 0.00 179.97 177.49 2jsc h ALA 17 N 1.05 1.33 0.01 2.80 0.00 -1.19 -3.00 119.26 120.26 2jsc h ALA 17 Ca -0.02 -0.33 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 2jsc h ALA 17 Cb 1.23 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2jsc h ALA 17 CO 0.11 0.47 -1.32 -0.07 0.00 0.00 0.00 179.25 178.44 2jsc h LEU 18 N 0.12 0.02 -5.31 0.00 4.07 -1.34 -3.39 115.31 109.48 2jsc h LEU 18 Ca 0.02 -0.03 -0.52 0.00 0.08 0.00 0.00 57.88 57.43 2jsc h LEU 18 Cb 0.64 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 42.39 2jsc h LEU 18 CO 0.05 1.02 3.14 0.00 -1.08 0.00 0.00 178.44 181.57 2jsc n ALA 19 N -2.45 5.88 -3.15 1.53 0.00 0.17 -4.12 120.51 118.37 2jsc n ALA 19 Ca -0.08 -2.73 -0.13 0.00 0.00 0.00 0.00 53.44 50.51 2jsc n ALA 19 Cb 0.99 -3.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 2jsc n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jsc s ASP 20 N 2.94 -0.28 0.00 0.00 2.15 -1.26 -4.91 116.67 115.31 2jsc s ASP 20 Ca 0.53 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2jsc s ASP 20 Cb 0.14 0.43 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 2jsc s ASP 20 CO -0.04 -0.68 0.00 -0.81 -0.17 0.00 0.00 175.17 173.47 2jsc n PRO 21 N 0.44 0.00 -0.48 4.34 -0.04 -1.26 -1.49 135.00 136.51 2jsc n PRO 21 Ca -0.18 0.00 0.43 0.00 -0.04 0.00 0.00 63.50 63.70 2jsc n PRO 21 Cb 0.60 -0.24 0.78 0.00 -0.04 0.00 0.00 33.50 34.60 2jsc n PRO 21 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2jsc h THR 22 N 0.00 0.25 -0.09 0.52 1.35 -1.99 -2.52 112.91 110.42 2jsc h THR 22 Ca 0.00 -0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.70 2jsc h THR 22 Cb 0.00 0.24 0.01 0.00 -1.73 0.00 0.00 68.15 66.67 2jsc h THR 22 CO 0.00 0.00 -0.56 -0.09 -0.25 0.00 0.00 175.52 174.62 2jsc h ARG 23 N 0.00 0.54 -0.15 4.72 2.43 -1.90 -0.14 114.38 119.88 2jsc h ARG 23 Ca 0.72 -0.46 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 2jsc h ARG 23 Cb 2.87 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 32.47 2jsc h ARG 23 CO -0.01 1.09 -0.16 0.00 -1.51 0.00 0.00 179.97 179.37 2jsc h ARG 25 N -0.19 -0.06 -0.56 0.00 2.47 -1.30 -1.52 114.38 113.21 2jsc h ARG 25 Ca 0.10 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.94 2jsc h ARG 25 Cb 0.34 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.58 2jsc h ARG 25 CO -0.26 -0.04 0.02 0.82 0.56 0.00 0.00 179.97 181.07 2jsc h ILE 26 N -0.07 0.56 -0.12 2.04 1.08 -0.95 0.13 117.51 120.19 2jsc h ILE 26 Ca 0.17 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2jsc h ILE 26 Cb 0.33 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.48 2jsc h ILE 26 CO -0.39 0.03 0.02 -0.07 -0.69 0.00 0.00 178.15 177.04 2jsc h LEU 27 N 0.14 0.19 -1.19 1.44 3.38 -1.15 0.76 115.31 118.88 2jsc h LEU 27 Ca 0.29 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2jsc h LEU 27 Cb 0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jsc h LEU 27 CO -0.46 0.40 -0.35 1.62 0.09 0.00 0.00 178.44 179.74 2jsc h VAL 28 N -0.03 0.99 -0.14 1.22 3.04 -1.22 -2.45 116.25 117.67 2jsc h VAL 28 Ca 0.04 -1.32 -0.21 0.00 -1.01 0.00 0.00 66.70 64.20 2jsc h VAL 28 Cb 0.29 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2jsc h VAL 28 CO 0.00 0.34 -0.74 0.00 -1.01 0.00 0.00 177.57 176.16 2jsc h ALA 29 N 1.65 0.41 0.00 3.17 0.00 -0.84 -3.34 119.26 120.31 2jsc h ALA 29 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2jsc h ALA 29 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2jsc h ALA 29 CO 0.05 0.71 -0.20 1.25 0.00 0.00 0.00 179.25 181.05 2jsc h LEU 30 N 0.48 0.00 -2.00 0.00 5.85 -0.35 0.19 115.31 119.48 2jsc h LEU 30 Ca -0.04 0.00 0.51 0.00 0.84 0.00 0.00 57.88 59.19 2jsc h LEU 30 Cb 1.35 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 2jsc h LEU 30 CO 0.15 0.20 1.27 -0.07 -0.34 0.00 0.00 178.44 179.65 2jsc h LEU 31 N 0.00 0.00 0.00 2.25 3.38 -1.66 -0.25 115.31 119.03 2jsc h LEU 31 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2jsc h LEU 31 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jsc h LEU 31 CO 0.03 -0.00 -1.65 -0.67 0.09 0.00 0.00 178.44 176.23 2jsc n ASP 32 N -4.00 2.78 0.00 -0.43 2.03 -0.74 -4.83 116.55 111.36 2jsc n ASP 32 Ca 0.39 -0.02 0.03 0.00 0.52 0.00 0.00 54.79 55.72 2jsc n ASP 32 Cb 1.81 0.51 0.16 0.00 -0.72 0.00 0.00 41.12 42.88 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsc n GLY 33 N 2.54 -0.86 0.85 0.27 0.00 0.59 -4.31 105.19 104.27 2jsc n GLY 33 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2jsc n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jsc n VAL 34 N -0.60 0.00 0.00 1.61 0.24 -0.75 -4.14 118.33 114.69 2jsc n VAL 34 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2jsc n VAL 34 Cb 0.02 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N 0.00 0.88 0.36 0.00 2.02 -1.26 -3.88 117.35 115.47 2jsc s TYR 36 Ca 0.00 -0.76 0.07 0.00 -0.37 0.00 0.00 57.07 56.01 2jsc s TYR 36 Cb 0.00 -0.50 0.77 0.00 -0.40 0.00 0.00 41.96 41.82 2jsc s TYR 36 CO 0.00 -0.10 1.94 -1.00 -1.57 0.00 0.00 175.55 174.83 2jsc h PRO 37 N 3.47 0.71 -0.04 -1.71 0.13 -1.88 -0.48 132.00 132.20 2jsc h PRO 37 Ca -0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2jsc h PRO 37 Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2jsc h PRO 37 CO 0.56 0.47 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 2jsc n GLY 38 N -1.45 -0.41 0.15 1.56 0.00 -1.26 -4.41 105.19 99.37 2jsc n GLY 38 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2jsc n GLY 38 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2jsc h GLN 39 N 1.24 0.04 0.00 1.61 -0.00 -1.42 -2.98 115.11 113.59 2jsc h GLN 39 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2jsc h GLN 39 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.75 2jsc h GLN 39 CO 0.00 0.59 0.00 -0.07 -0.00 0.00 0.00 178.83 179.35 2jsc h LEU 40 N 0.03 0.00 -1.32 0.06 3.38 -1.77 -1.62 115.31 114.07 2jsc h LEU 40 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jsc h LEU 40 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2jsc h LEU 40 CO 0.08 0.00 0.47 0.00 0.09 0.00 0.00 178.44 179.08 2jsc h ALA 41 N 2.00 1.55 0.06 1.53 0.00 -1.72 -0.34 119.26 122.34 2jsc h ALA 41 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jsc h ALA 41 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jsc h ALA 41 CO 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 2jsc h ALA 42 N 1.57 -0.08 -0.61 0.00 0.00 -1.53 -0.59 119.26 118.03 2jsc h ALA 42 Ca 0.28 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2jsc h ALA 42 Cb -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jsc h ALA 42 CO -0.07 -0.21 0.41 0.45 0.00 0.00 0.00 179.25 179.83 2jsc h HIS 43 N -0.74 0.40 0.00 0.00 -0.00 -1.58 -3.11 115.15 110.10 2jsc h HIS 43 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsc h HIS 43 Cb 0.61 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 2jsc h HIS 43 CO 0.13 0.18 -1.30 1.28 -0.00 0.00 0.00 177.93 178.22 2jsc n LEU 44 N -4.46 0.32 -0.09 2.43 4.77 -0.15 -5.00 117.00 114.81 2jsc n LEU 44 Ca 0.10 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 2jsc n LEU 44 Cb 0.41 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2jsc n LEU 44 CO 0.34 0.08 -0.01 0.61 -1.33 0.00 0.00 177.39 177.08 2jsc n GLY 45 N 1.49 0.37 3.92 -0.72 0.00 -0.25 -5.03 105.19 104.98 2jsc n GLY 45 Ca -0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2jsc n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jsc s LEU 46 N -0.26 4.14 0.64 0.99 1.02 -1.06 -5.01 118.68 119.14 2jsc s LEU 46 Ca 0.00 0.50 -0.17 0.00 0.02 0.00 0.00 54.13 54.47 2jsc s LEU 46 Cb 0.00 -3.29 -0.01 0.00 0.02 0.00 0.00 46.19 42.91 2jsc s LEU 46 CO 0.00 -0.13 1.20 0.42 0.02 0.00 0.00 176.35 177.86 2jsc s THR 47 N -2.01 2.59 0.25 5.49 -4.23 -1.26 -4.37 115.64 112.10 2jsc s THR 47 Ca 0.40 0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 61.20 2jsc s THR 47 Cb -0.11 -3.02 0.24 0.00 1.34 0.00 0.00 72.50 70.95 2jsc s THR 47 CO 0.30 -0.11 1.88 0.03 -0.54 0.00 0.00 174.62 176.18 2jsc h ARG 48 N 0.43 1.09 -0.68 3.99 3.08 -1.95 0.34 114.38 120.69 2jsc h ARG 48 Ca -0.49 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.45 2jsc h ARG 48 Cb 1.29 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 2jsc h ARG 48 CO 0.53 0.72 0.23 0.77 -1.07 0.00 0.00 179.97 181.16 2jsc h SER 49 N 1.13 0.94 -0.02 7.04 0.02 -1.99 0.13 113.55 120.79 2jsc h SER 49 Ca 0.39 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2jsc h SER 49 Cb 0.08 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 2jsc h SER 49 CO -0.15 0.87 -0.04 -1.13 -1.14 0.00 0.00 176.83 175.24 2jsc h ASN 50 N 0.99 0.07 -0.76 3.07 -0.73 -1.74 -3.04 115.58 113.45 2jsc h ASN 50 Ca 0.22 -0.55 0.10 0.00 1.87 0.00 0.00 56.30 57.95 2jsc h ASN 50 Cb 0.24 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.76 2jsc h ASN 50 CO -0.01 0.61 0.50 0.58 -0.37 0.00 0.00 177.43 178.73 2jsc h VAL 51 N -0.46 0.92 -0.16 2.57 2.07 -0.90 -2.52 116.25 117.77 2jsc h VAL 51 Ca 0.00 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2jsc h VAL 51 Cb 0.59 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2jsc h VAL 51 CO 0.01 0.12 -0.26 0.28 0.02 0.00 0.00 177.57 177.74 2jsc h SER 52 N 0.64 0.29 -0.90 0.57 0.02 -0.92 -2.10 113.55 111.16 2jsc h SER 52 Ca 0.35 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2jsc h SER 52 Cb 0.51 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 2jsc h SER 52 CO -0.13 0.56 0.59 0.78 -1.14 0.00 0.00 176.83 177.49 2jsc h ASN 53 N 0.27 0.92 -0.35 3.07 2.35 -1.33 -0.15 115.58 120.35 2jsc h ASN 53 Ca 0.04 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 2jsc h ASN 53 Cb 0.60 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2jsc h ASN 53 CO 0.04 0.59 -0.39 0.45 -1.65 0.00 0.00 177.43 176.48 2jsc h HIS 54 N 1.04 1.08 0.00 1.19 3.86 -1.44 -3.08 115.15 117.81 2jsc h HIS 54 Ca 0.38 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2jsc h HIS 54 Cb 0.17 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2jsc h HIS 54 CO -0.00 1.14 0.00 1.28 0.86 0.00 0.00 177.93 181.21 2jsc n LEU 55 N -4.05 0.46 0.30 2.43 4.77 -0.89 -2.41 117.00 117.61 2jsc n LEU 55 Ca -0.02 0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 2jsc n LEU 55 Cb 0.54 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 2jsc n LEU 55 CO 0.48 -0.27 0.68 -1.28 -1.33 0.00 0.00 177.39 175.68 2jsc h SER 56 N 0.00 -0.61 -0.49 -1.43 0.87 -0.94 -2.60 113.55 108.35 2jsc h SER 56 Ca 0.00 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2jsc h SER 56 Cb 0.49 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2jsc h SER 56 CO 0.00 -0.42 -0.17 0.00 -0.53 0.00 0.00 176.83 175.71 2jsc h LEU 58 N 0.87 0.87 -0.06 0.00 5.85 -1.51 0.16 115.31 121.49 2jsc h LEU 58 Ca 0.12 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jsc h LEU 58 Cb 0.74 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2jsc h LEU 58 CO 0.06 0.74 -0.09 0.54 -0.34 0.00 0.00 178.44 179.35 2jsc n ARG 59 N -4.34 0.31 -0.12 1.25 1.74 -0.98 -1.73 116.66 112.80 2jsc n ARG 59 Ca 0.06 -0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2jsc n ARG 59 Cb 0.13 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 2jsc n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jsc n GLY 60 N 1.38 -0.36 0.00 -0.13 0.00 -0.44 -4.29 105.19 101.34 2jsc n GLY 60 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.02 2jsc n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsc n GLY 62 N -0.21 0.97 0.14 0.00 0.00 -1.23 -4.91 105.19 99.96 2jsc n GLY 62 Ca 0.05 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.54 2jsc n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jsc h LEU 63 N 0.00 0.00 -8.04 0.99 3.38 -1.66 -3.43 115.31 106.55 2jsc h LEU 63 Ca -0.20 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.52 2jsc h LEU 63 Cb 0.68 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.20 2jsc h LEU 63 CO 0.28 0.29 -0.73 0.68 0.09 0.00 0.00 178.44 179.06 2jsc s VAL 64 N -3.10 0.37 0.03 1.22 -7.23 -1.07 -1.05 120.40 109.57 2jsc s VAL 64 Ca 0.02 -0.80 0.05 0.00 -1.81 0.00 0.00 61.98 59.43 2jsc s VAL 64 Cb 0.08 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.57 2jsc s VAL 64 CO 0.76 -0.29 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.43 2jsc s VAL 65 N -1.06 1.06 0.06 1.32 1.01 0.49 -4.50 120.40 118.77 2jsc s VAL 65 Ca -0.08 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.74 2jsc s VAL 65 Cb -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2jsc s VAL 65 CO -0.00 0.05 0.81 0.00 0.00 0.00 0.00 175.10 175.96 2jsc s ALA 66 N -0.74 3.33 0.15 5.51 0.00 -1.26 -1.16 121.76 127.59 2jsc s ALA 66 Ca 0.02 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 2jsc s ALA 66 Cb -0.07 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2jsc s ALA 66 CO 0.01 0.03 0.10 0.95 0.00 0.00 0.00 175.76 176.85 2jsc s THR 67 N 0.00 0.07 -0.06 0.00 -4.23 -1.04 -4.99 115.64 105.39 2jsc s THR 67 Ca 0.41 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 2jsc s THR 67 Cb -0.21 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 2jsc s THR 67 CO 0.25 -0.32 0.98 -0.47 -0.54 0.00 0.00 174.62 174.51 2jsc s TYR 68 N -4.07 3.58 -0.61 3.99 5.04 -1.26 -0.40 117.35 123.62 2jsc s TYR 68 Ca 0.27 1.62 0.25 0.00 -2.44 0.00 0.00 57.07 56.77 2jsc s TYR 68 Cb 0.07 -3.14 0.73 0.00 0.35 0.00 0.00 41.96 39.97 2jsc s TYR 68 CO 0.04 -0.12 1.74 1.05 -1.34 0.00 0.00 175.55 176.92 2jsc h GLU 69 N 6.97 0.00 0.00 4.97 -0.00 -1.17 -3.47 114.58 121.88 2jsc h GLU 69 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 2jsc h GLU 69 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 2jsc h GLU 69 CO 0.81 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.23 2jsc n GLY 70 N 1.09 1.47 0.00 1.06 0.00 -1.26 -4.90 105.19 102.65 2jsc n GLY 70 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2jsc n GLY 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jsc n ARG 71 N 0.00 4.75 -4.07 1.61 0.00 -1.26 -5.13 116.66 112.57 2jsc n ARG 71 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2jsc n ARG 71 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 32.46 31.82 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2jsc s GLN 72 N -0.39 1.62 0.17 -0.14 -1.52 -1.26 -5.17 119.66 112.98 2jsc s GLN 72 Ca 0.00 -1.51 -0.16 0.00 -1.95 0.00 0.00 55.36 51.75 2jsc s GLN 72 Cb 0.00 0.42 -0.07 0.00 -0.22 0.00 0.00 33.01 33.14 2jsc s GLN 72 CO 0.00 -0.65 0.60 0.54 -0.25 0.00 0.00 175.29 175.53 2jsc s VAL 73 N -3.68 4.78 0.28 1.09 0.11 -1.26 -0.59 120.40 121.13 2jsc s VAL 73 Ca 0.28 0.94 0.06 0.00 -2.93 0.00 0.00 61.98 60.33 2jsc s VAL 73 Cb 0.01 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.04 2jsc s VAL 73 CO 0.14 0.21 -0.03 0.00 -3.33 0.00 0.00 175.10 172.09 2jsc s ARG 74 N -2.02 1.53 -0.21 1.54 1.70 0.47 -3.89 118.95 118.07 2jsc s ARG 74 Ca 0.40 -1.79 -0.03 0.00 -0.47 0.00 0.00 55.73 53.83 2jsc s ARG 74 Cb -0.15 -1.02 -0.01 0.00 -0.57 0.00 0.00 34.95 33.20 2jsc s ARG 74 CO 0.20 -0.02 -0.06 0.71 -1.08 0.00 0.00 175.30 175.04 2jsc s TYR 75 N -3.13 2.94 0.18 5.89 2.02 -1.26 -2.50 117.35 121.50 2jsc s TYR 75 Ca 0.30 -0.95 0.11 0.00 -0.37 0.00 0.00 57.07 56.16 2jsc s TYR 75 Cb 0.05 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 2jsc s TYR 75 CO 0.12 -0.53 -0.22 0.00 -1.57 0.00 0.00 175.55 173.34 2jsc s ALA 76 N 1.38 2.38 0.66 3.71 0.00 -0.31 -4.15 121.76 125.44 2jsc s ALA 76 Ca 0.05 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.24 2jsc s ALA 76 Cb -0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2jsc s ALA 76 CO -0.03 0.38 1.11 1.28 0.00 0.00 0.00 175.76 178.49 2jsc n LEU 77 N 0.29 4.65 -0.22 0.00 4.77 -1.26 -0.38 117.00 124.85 2jsc n LEU 77 Ca -0.13 0.77 0.04 0.00 -0.03 0.00 0.00 56.01 56.65 2jsc n LEU 77 Cb 0.56 -1.47 0.29 0.00 -2.33 0.00 0.00 43.42 40.47 2jsc n LEU 77 CO 0.29 -1.56 1.23 0.00 -1.33 0.00 0.00 177.39 176.02 2jsc h ALA 78 N 0.24 1.57 -2.78 -1.18 0.00 -1.36 -3.41 119.26 112.33 2jsc h ALA 78 Ca -0.49 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2jsc h ALA 78 Cb 1.35 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2jsc h ALA 78 CO 0.50 0.34 0.31 0.34 0.00 0.00 0.00 179.25 180.75 2jsc s ASP 79 N -6.23 -0.29 0.51 0.00 2.15 -1.26 -4.89 116.67 106.65 2jsc s ASP 79 Ca -0.11 -0.42 0.37 0.00 0.43 0.00 0.00 52.55 52.82 2jsc s ASP 79 Cb 0.19 0.62 1.52 0.00 -0.30 0.00 0.00 42.92 44.95 2jsc s ASP 79 CO 0.78 -1.13 1.70 0.28 -0.17 0.00 0.00 175.17 176.63 2jsc h SER 80 N 2.00 0.11 -0.44 -0.34 0.02 -1.98 -2.20 113.55 110.72 2jsc h SER 80 Ca -0.23 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 2jsc h SER 80 Cb 1.25 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.77 2jsc h SER 80 CO 0.26 -0.03 -0.26 1.41 -1.14 0.00 0.00 176.83 177.08 2jsc n HIS 81 N -4.29 -0.19 -0.02 3.45 8.25 -1.26 0.27 115.22 121.43 2jsc n HIS 81 Ca 0.33 0.55 -0.17 0.00 -0.26 0.00 0.00 57.72 58.17 2jsc n HIS 81 Cb 1.45 -0.50 -0.08 0.00 1.12 0.00 0.00 29.99 31.98 2jsc n HIS 81 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jsc h LEU 82 N 0.00 0.86 -2.33 2.41 3.38 -1.80 -2.55 115.31 115.29 2jsc h LEU 82 Ca 0.07 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.41 2jsc h LEU 82 Cb 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jsc h LEU 82 CO -0.41 1.36 0.02 0.00 0.09 0.00 0.00 178.44 179.50 2jsc h ALA 83 N 0.53 1.68 0.04 1.53 0.00 -1.47 0.40 119.26 121.97 2jsc h ALA 83 Ca -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jsc h ALA 83 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jsc h ALA 83 CO 0.15 -0.03 -0.02 -0.09 0.00 0.00 0.00 179.25 179.26 2jsc h ARG 84 N 0.00 -0.05 -0.69 0.00 9.65 -0.11 -1.82 114.38 121.36 2jsc h ARG 84 Ca 0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2jsc h ARG 84 Cb 0.05 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 2jsc h ARG 84 CO -0.00 -0.01 0.34 0.00 2.80 0.00 0.00 179.97 183.10 2jsc h ALA 85 N -0.99 1.30 -0.41 2.80 0.00 -1.33 0.84 119.26 121.47 2jsc h ALA 85 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2jsc h ALA 85 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2jsc h ALA 85 CO 0.01 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 181.01 2jsc h LEU 86 N 0.97 0.75 -0.78 0.00 6.46 -1.09 -3.24 115.31 118.38 2jsc h LEU 86 Ca 0.24 -0.34 -0.12 0.00 -0.12 0.00 0.00 57.88 57.54 2jsc h LEU 86 Cb 0.08 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2jsc h LEU 86 CO -0.03 0.91 -0.43 1.23 -0.62 0.00 0.00 178.44 179.50 2jsc h GLY 87 N 0.58 0.44 2.00 3.75 0.00 -0.07 -1.59 103.07 108.17 2jsc h GLY 87 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2jsc h GLY 87 CO 0.03 0.39 0.00 -1.84 0.00 0.00 0.00 176.54 175.12 2jsc n GLU 88 N -4.01 0.10 -2.00 4.80 0.00 0.08 -5.02 120.64 114.59 2jsc n GLU 88 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.31 2jsc n GLU 88 Cb 0.51 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.31 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2jsc n LEU 89 N -1.81 -5.65 -0.84 -1.84 7.94 -0.60 -4.77 117.00 109.43 2jsc n LEU 89 Ca 0.05 2.45 0.00 0.00 -1.11 0.00 0.00 56.01 57.40 2jsc n LEU 89 Cb 0.32 -2.82 0.00 0.00 0.53 0.00 0.00 43.42 41.45 2jsc n LEU 89 CO 0.24 -2.07 0.14 1.33 -1.11 0.00 0.00 177.39 175.92 2jsc n VAL 90 N 1.52 0.23 -0.70 1.96 0.24 -1.23 -4.69 118.33 115.65 2jsc n VAL 90 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 90 Cb 0.00 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 2jsc n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc n GLN 91 N 0.68 0.00 -0.00 7.34 1.13 -1.26 -4.83 117.38 120.44 2jsc n GLN 91 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jsc n GLN 91 Cb 0.14 -2.21 0.00 0.00 0.11 0.00 0.00 30.24 28.28 2jsc n GLN 91 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 2jsc n VAL 92 N -2.00 0.04 -1.44 5.09 3.14 -1.26 -4.72 118.33 117.17 2jsc n VAL 92 Ca 0.00 -0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 2jsc n VAL 92 Cb 0.00 -0.59 -0.07 0.00 -1.06 0.00 0.00 33.84 32.12 2jsc n VAL 92 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2jsc n VAL 93 N 1.14 0.00 -0.02 1.55 0.31 -1.26 -3.74 118.33 116.30 2jsc n VAL 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 93 Cb 0.02 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 2jsc n VAL 93 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jsc n LEU 94 N -1.95 -0.04 -3.09 7.52 0.00 -1.26 -4.96 117.00 113.21 2jsc n LEU 94 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.76 2jsc n LEU 94 Cb 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 43.42 43.95 2jsc n LEU 94 CO 0.24 0.00 1.22 0.00 0.00 0.00 0.00 177.39 178.85 2jsc n ALA 95 N 2.10 1.38 -1.54 1.96 0.00 -1.25 -4.93 120.51 118.24 2jsc n ALA 95 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 53.44 52.48 2jsc n ALA 95 Cb 0.00 -2.73 0.06 0.00 0.00 0.00 0.00 19.45 16.78 2jsc n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jsc s VAL 96 N 5.11 2.54 0.00 0.00 1.01 -1.26 -4.99 120.40 122.80 2jsc s VAL 96 Ca 0.14 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2jsc s VAL 96 Cb 0.03 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2jsc s VAL 96 CO 0.04 -0.11 0.05 -0.90 0.00 0.00 0.00 175.10 174.18 2jsc n ASP 97 N -2.22 0.00 -0.77 3.32 5.68 -1.26 -5.12 116.55 116.19 2jsc n ASP 97 Ca 0.13 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 2jsc n ASP 97 Cb 0.50 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2jsc n ASP 97 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2jsc n THR 98 N -1.63 -2.38 -3.29 2.12 -2.24 -1.26 -4.96 114.28 100.64 2jsc n THR 98 Ca 0.00 0.98 -0.38 0.00 -2.27 0.00 0.00 64.05 62.37 2jsc n THR 98 Cb 0.00 -1.43 -0.06 0.00 -2.10 0.00 0.00 70.33 66.74 2jsc n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jsc s ASP 99 N -3.33 6.78 -0.28 3.42 2.15 -1.26 -5.02 116.67 119.13 2jsc s ASP 99 Ca 0.00 0.93 -0.24 0.00 0.43 0.00 0.00 52.55 53.67 2jsc s ASP 99 Cb 0.00 -2.31 0.13 0.00 -0.30 0.00 0.00 42.92 40.44 2jsc s ASP 99 CO 0.00 0.04 1.03 -1.58 -0.17 0.00 0.00 175.17 174.49 2jsc s GLN 100 N 0.32 0.48 0.93 4.34 2.00 -1.26 -5.18 119.66 121.29 2jsc s GLN 100 Ca 0.28 0.60 -0.12 0.00 -2.00 0.00 0.00 55.36 54.12 2jsc s GLN 100 Cb -0.16 0.21 0.15 0.00 0.80 0.00 0.00 33.01 34.01 2jsc s GLN 100 CO 0.13 -0.06 1.09 -1.25 -0.50 0.00 0.00 175.29 174.69 2jsc s PRO 101 N 0.40 0.99 0.00 1.67 0.04 -1.26 -5.09 135.00 131.75 2jsc s PRO 101 Ca 0.01 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2jsc s PRO 101 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2jsc s PRO 101 CO -0.08 -2.40 0.00 0.00 0.04 0.00 0.00 177.00 174.56 2jsc n VAL 103 N 0.00 -2.05 0.00 0.00 0.31 -1.26 -1.16 118.33 114.17 2jsc n VAL 103 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2jsc n VAL 103 Cb 0.00 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsc n ALA 104 N -4.69 0.00 -1.19 3.52 0.00 -1.26 -5.01 120.51 111.89 2jsc n ALA 104 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.89 2jsc n ALA 104 Cb 0.65 -0.06 0.12 0.00 0.00 0.00 0.00 19.45 20.16 2jsc n ALA 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jsc s GLU 105 N 0.00 1.64 0.00 0.00 2.02 -0.30 -5.18 118.70 116.88 2jsc s GLU 105 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.00 2jsc s GLU 105 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.39 2jsc s GLU 105 CO 0.00 -2.03 0.00 0.54 0.02 0.00 0.00 175.26 173.79