#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 0.94 0.00 0.00 6.46 -2.03 -1.41 115.31 119.28 2jsc h LEU 11 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2jsc h LEU 11 Cb 0.00 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.69 2jsc h LEU 11 CO 0.00 0.68 0.00 0.00 -0.62 0.00 0.00 178.44 178.50 2jsc n ALA 12 N -2.33 1.46 -0.09 1.25 0.00 -1.26 -0.20 120.51 119.35 2jsc n ALA 12 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 2jsc n ALA 12 Cb 0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 2jsc n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jsc n ARG 13 N -1.46 0.51 0.26 0.00 5.12 -0.68 -4.36 116.66 116.05 2jsc n ARG 13 Ca 0.03 0.34 -0.16 0.00 -1.93 0.00 0.00 57.85 56.13 2jsc n ARG 13 Cb 0.10 -1.54 -0.08 0.00 -1.16 0.00 0.00 32.46 29.78 2jsc n ARG 13 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2jsc h LEU 14 N -1.00 -0.52 -1.49 0.55 7.12 -0.96 -0.71 115.31 118.30 2jsc h LEU 14 Ca -0.08 0.02 -0.05 0.00 0.13 0.00 0.00 57.88 57.89 2jsc h LEU 14 Cb 0.91 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 2jsc h LEU 14 CO -0.05 -0.37 -0.26 1.23 -0.13 0.00 0.00 178.44 178.86 2jsc h GLY 15 N -0.61 0.00 2.00 3.75 0.00 -0.82 -1.63 103.07 105.75 2jsc h GLY 15 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 2jsc h GLY 15 CO 0.10 0.00 -0.52 -0.09 0.00 0.00 0.00 176.54 176.03 2jsc h ARG 16 N 0.00 0.00 -0.01 4.80 2.43 -1.57 -1.31 114.38 118.72 2jsc h ARG 16 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jsc h ARG 16 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2jsc h ARG 16 CO 0.03 0.52 -0.14 0.00 -1.51 0.00 0.00 179.97 178.87 2jsc n ALA 17 N -2.31 2.84 -0.04 2.80 0.00 -0.30 -3.54 120.51 119.96 2jsc n ALA 17 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.12 2jsc n ALA 17 Cb 0.63 -1.25 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 2jsc n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsc n LEU 18 N -0.68 0.05 -4.37 0.00 4.77 -0.78 -4.86 117.00 111.13 2jsc n LEU 18 Ca 0.15 0.02 -0.45 0.00 -0.03 0.00 0.00 56.01 55.70 2jsc n LEU 18 Cb 0.31 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2jsc n LEU 18 CO 0.23 0.20 0.84 0.00 -1.33 0.00 0.00 177.39 177.33 2jsc s ALA 19 N -3.08 4.39 0.04 -1.18 0.00 -0.51 -4.37 121.76 117.04 2jsc s ALA 19 Ca -0.08 -3.58 -0.15 0.00 0.00 0.00 0.00 51.96 48.14 2jsc s ALA 19 Cb 0.11 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.56 2jsc s ALA 19 CO 0.87 -2.38 0.34 -0.51 0.00 0.00 0.00 175.76 174.08 2jsc s ASP 20 N 1.92 -0.18 0.02 0.00 1.11 -1.26 -4.92 116.67 113.36 2jsc s ASP 20 Ca 0.31 -0.10 -0.10 0.00 0.18 0.00 0.00 52.55 52.84 2jsc s ASP 20 Cb -0.08 0.37 -0.05 0.00 1.07 0.00 0.00 42.92 44.23 2jsc s ASP 20 CO -0.07 -0.61 1.15 1.55 1.18 0.00 0.00 175.17 178.37 2jsc h PRO 21 N 3.23 -0.30 -0.07 8.23 0.13 -1.96 -2.79 132.00 138.47 2jsc h PRO 21 Ca -0.31 0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 2jsc h PRO 21 Cb 1.20 0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jsc h PRO 21 CO 0.45 -0.20 -0.54 1.15 -0.23 0.00 0.00 178.00 178.62 2jsc h THR 22 N -0.32 1.38 -0.28 1.56 2.02 -1.99 -3.32 112.91 111.96 2jsc h THR 22 Ca -0.03 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.24 2jsc h THR 22 Cb 0.25 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2jsc h THR 22 CO 0.03 0.57 0.18 0.03 0.37 0.00 0.00 175.52 176.69 2jsc h ARG 23 N 0.05 0.37 0.12 6.66 3.08 -1.92 0.08 114.38 122.82 2jsc h ARG 23 Ca -0.05 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2jsc h ARG 23 Cb 1.21 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 2jsc h ARG 23 CO 0.11 0.26 -0.20 0.00 -1.07 0.00 0.00 179.97 179.06 2jsc h ARG 25 N -0.39 0.44 -0.56 0.00 -0.00 -1.27 -2.41 114.38 110.19 2jsc h ARG 25 Ca 0.02 -0.03 0.09 0.00 -0.50 0.00 0.00 59.98 59.56 2jsc h ARG 25 Cb 0.41 -0.10 -0.10 0.00 0.00 0.00 0.00 29.97 30.17 2jsc h ARG 25 CO -0.11 0.29 -0.43 0.82 0.00 0.00 0.00 179.97 180.54 2jsc h ILE 26 N 0.45 0.09 -0.18 2.04 2.04 -0.84 -2.80 117.51 118.32 2jsc h ILE 26 Ca 0.19 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 2jsc h ILE 26 Cb 0.09 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 2jsc h ILE 26 CO -0.13 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.75 2jsc h LEU 27 N -0.24 0.30 -0.97 1.44 3.38 -0.79 0.19 115.31 118.62 2jsc h LEU 27 Ca 0.18 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2jsc h LEU 27 Cb 0.56 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2jsc h LEU 27 CO -0.67 0.51 -0.22 -0.37 0.09 0.00 0.00 178.44 177.78 2jsc h VAL 28 N 0.28 1.26 -0.00 1.22 -1.51 -1.36 -3.12 116.25 113.01 2jsc h VAL 28 Ca 0.05 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 2jsc h VAL 28 Cb 0.51 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2jsc h VAL 28 CO 0.03 0.38 -0.26 0.00 -1.23 0.00 0.00 177.57 176.50 2jsc n ALA 29 N -2.48 3.07 -0.03 5.19 0.00 -0.44 -4.03 120.51 121.78 2jsc n ALA 29 Ca -0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 2jsc n ALA 29 Cb 0.38 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2jsc n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jsc h LEU 30 N 0.77 0.16 -0.18 0.00 7.12 -0.62 -2.39 115.31 120.18 2jsc h LEU 30 Ca 0.00 -0.97 0.04 0.00 0.13 0.00 0.00 57.88 57.08 2jsc h LEU 30 Cb 0.47 -0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.48 2jsc h LEU 30 CO 0.00 1.16 -0.52 -0.07 -0.13 0.00 0.00 178.44 178.88 2jsc h LEU 31 N -0.78 -1.67 -2.32 2.25 3.38 -1.72 0.45 115.31 114.90 2jsc h LEU 31 Ca -0.06 0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2jsc h LEU 31 Cb 1.23 0.66 -0.06 0.00 0.09 0.00 0.00 40.66 42.59 2jsc h LEU 31 CO 0.04 -0.46 0.13 -0.67 0.09 0.00 0.00 178.44 177.57 2jsc n ASP 32 N -5.43 2.96 0.00 -0.43 2.03 -1.26 -4.51 116.55 109.91 2jsc n ASP 32 Ca -0.05 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.85 2jsc n ASP 32 Cb 0.37 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 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 0.07 0.47 1.16 0.27 0.00 -0.41 -4.99 105.19 101.75 2jsc n GLY 33 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.27 0.00 -0.02 1.61 0.24 0.02 -4.82 118.33 115.09 2jsc n VAL 34 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 34 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -1.23 -0.27 -0.27 0.00 -0.85 -1.26 -4.08 117.35 109.39 2jsc s TYR 36 Ca -0.02 -0.03 -0.31 0.00 -0.52 0.00 0.00 57.07 56.20 2jsc s TYR 36 Cb 0.00 0.42 -0.07 0.00 0.38 0.00 0.00 41.96 42.69 2jsc s TYR 36 CO 0.02 -0.85 2.22 -0.35 -1.52 0.00 0.00 175.55 175.07 2jsc n PRO 37 N -0.32 1.64 -0.45 -3.49 -0.04 -1.26 -0.71 135.00 130.38 2jsc n PRO 37 Ca -0.14 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2jsc n PRO 37 Cb 0.63 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 2jsc n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jsc n GLY 38 N 6.06 0.76 0.35 0.55 0.00 -1.26 -4.96 105.19 106.69 2jsc n GLY 38 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 2.98 0.94 -0.57 1.61 -0.00 -1.32 -1.87 115.11 116.87 2jsc h GLN 39 Ca 0.00 -0.06 0.17 0.00 -0.00 0.00 0.00 58.65 58.76 2jsc h GLN 39 Cb 0.00 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.48 27.24 2jsc h GLN 39 CO 0.00 0.62 0.59 -0.07 -0.00 0.00 0.00 178.83 179.97 2jsc h LEU 40 N 0.97 0.00 -1.31 0.06 3.38 -1.92 -2.05 115.31 114.44 2jsc h LEU 40 Ca 0.28 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2jsc h LEU 40 Cb -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2jsc h LEU 40 CO -0.07 0.00 0.47 0.00 0.09 0.00 0.00 178.44 178.94 2jsc h ALA 41 N 1.36 1.52 -0.12 1.53 0.00 -1.51 -0.60 119.26 121.44 2jsc h ALA 41 Ca 0.27 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2jsc h ALA 41 Cb 1.45 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2jsc h ALA 41 CO -0.00 0.43 -0.57 0.00 0.00 0.00 0.00 179.25 179.11 2jsc h ALA 42 N 1.56 0.24 -0.26 0.00 0.00 -1.56 -1.16 119.26 118.08 2jsc h ALA 42 Ca 0.27 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jsc h ALA 42 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jsc h ALA 42 CO -0.06 0.46 0.16 0.45 0.00 0.00 0.00 179.25 180.26 2jsc h HIS 43 N 0.25 0.33 0.00 0.00 -0.00 -1.49 -3.29 115.15 110.94 2jsc h HIS 43 Ca -0.04 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 2jsc h HIS 43 Cb 1.20 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.50 2jsc h HIS 43 CO 0.10 0.21 -1.76 1.28 -0.00 0.00 0.00 177.93 177.77 2jsc n LEU 44 N -4.49 0.00 0.00 2.43 4.77 -0.28 -5.01 117.00 114.42 2jsc n LEU 44 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2jsc n LEU 44 Cb 0.08 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2jsc n LEU 44 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2jsc n GLY 45 N 1.67 0.65 3.88 -0.72 0.00 -0.44 -5.03 105.19 105.20 2jsc n GLY 45 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.39 0.66 0.99 2.01 -1.22 -5.03 118.68 120.48 2jsc s LEU 46 Ca 0.00 0.56 -0.17 0.00 0.01 0.00 0.00 54.13 54.53 2jsc s LEU 46 Cb 0.00 -2.42 -0.00 0.00 0.01 0.00 0.00 46.19 43.78 2jsc s LEU 46 CO 0.00 0.33 1.26 0.42 1.01 0.00 0.00 176.35 179.37 2jsc s THR 47 N -1.16 2.17 0.64 5.49 -4.23 -1.26 -4.25 115.64 113.04 2jsc s THR 47 Ca 0.22 0.10 0.43 0.00 -1.18 0.00 0.00 61.69 61.26 2jsc s THR 47 Cb -0.13 -2.96 0.43 0.00 1.34 0.00 0.00 72.50 71.18 2jsc s THR 47 CO 0.11 -0.03 2.32 0.08 -0.54 0.00 0.00 174.62 176.56 2jsc h ARG 48 N 0.40 0.00 0.05 3.99 0.11 -1.91 0.11 114.38 117.13 2jsc h ARG 48 Ca -0.50 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.46 2jsc h ARG 48 Cb 1.32 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.41 2jsc h ARG 48 CO 0.53 0.00 -0.48 1.03 0.10 0.00 0.00 179.97 181.14 2jsc h SER 49 N 0.00 0.33 -0.32 0.08 0.87 -1.97 -3.00 113.55 109.54 2jsc h SER 49 Ca 0.00 -0.88 -0.04 0.00 -1.23 0.00 0.00 61.79 59.63 2jsc h SER 49 Cb 0.06 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2jsc h SER 49 CO 0.00 1.18 0.03 -1.13 -0.53 0.00 0.00 176.83 176.38 2jsc h ASN 50 N -0.47 0.53 -0.85 6.23 -0.73 -1.59 -2.89 115.58 115.81 2jsc h ASN 50 Ca -0.08 -0.29 -0.01 0.00 1.87 0.00 0.00 56.30 57.80 2jsc h ASN 50 Cb 1.30 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 39.71 2jsc h ASN 50 CO 0.09 0.68 0.49 0.58 -0.37 0.00 0.00 177.43 178.90 2jsc h VAL 51 N 0.36 1.24 0.00 2.57 2.07 -1.01 -2.95 116.25 118.53 2jsc h VAL 51 Ca 0.09 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2jsc h VAL 51 Cb 0.40 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2jsc h VAL 51 CO 0.01 0.27 -0.20 0.28 0.02 0.00 0.00 177.57 177.94 2jsc h SER 52 N 1.19 0.00 -0.97 0.57 0.02 -1.36 -2.09 113.55 110.91 2jsc h SER 52 Ca 0.30 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.46 2jsc h SER 52 Cb -0.01 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 2jsc h SER 52 CO -0.05 0.20 0.62 -1.13 -1.14 0.00 0.00 176.83 175.33 2jsc h ASN 53 N 0.00 0.58 0.60 3.07 -1.24 -1.34 -0.30 115.58 116.94 2jsc h ASN 53 Ca -0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2jsc h ASN 53 Cb 0.47 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.48 2jsc h ASN 53 CO 0.03 0.21 -0.64 1.41 -1.29 0.00 0.00 177.43 177.14 2jsc n HIS 54 N -4.63 0.23 0.09 0.67 8.25 -0.80 -4.06 115.22 114.96 2jsc n HIS 54 Ca 0.22 0.07 -0.03 0.00 -0.26 0.00 0.00 57.72 57.72 2jsc n HIS 54 Cb 0.67 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 2jsc n HIS 54 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jsc h LEU 55 N 0.00 0.00 -1.16 2.41 3.38 -0.89 -3.19 115.31 115.86 2jsc h LEU 55 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jsc h LEU 55 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2jsc h LEU 55 CO 0.00 0.77 0.37 -1.28 0.09 0.00 0.00 178.44 178.39 2jsc h SER 56 N 0.00 0.85 1.04 -0.43 0.87 -1.60 0.92 113.55 115.19 2jsc h SER 56 Ca -0.03 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2jsc h SER 56 Cb 1.62 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2jsc h SER 56 CO 0.10 0.69 -0.50 0.00 -0.53 0.00 0.00 176.83 176.59 2jsc h LEU 58 N 0.00 0.85 -0.08 0.00 5.85 -1.32 -0.28 115.31 120.33 2jsc h LEU 58 Ca 0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2jsc h LEU 58 Cb 0.77 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2jsc h LEU 58 CO 0.00 1.06 0.00 0.54 -0.34 0.00 0.00 178.44 179.70 2jsc n ARG 59 N -4.25 0.19 -0.09 1.25 1.74 0.24 -0.88 116.66 114.85 2jsc n ARG 59 Ca -0.01 0.19 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 2jsc n ARG 59 Cb 0.41 -1.73 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.15 -0.68 0.68 -0.13 0.00 -0.47 -4.33 105.19 101.41 2jsc n GLY 60 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.32 -0.19 0.07 0.00 0.00 -1.21 -4.85 105.19 99.32 2jsc n GLY 62 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.01 -8.15 0.99 3.38 -1.31 -3.43 115.31 106.80 2jsc h LEU 63 Ca -0.47 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.12 2jsc h LEU 63 Cb 1.35 -0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.85 2jsc h LEU 63 CO 0.57 1.01 -0.77 0.68 0.09 0.00 0.00 178.44 180.02 2jsc s VAL 64 N -2.68 0.75 -0.01 1.22 -7.23 -0.89 -1.12 120.40 110.44 2jsc s VAL 64 Ca -0.00 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 2jsc s VAL 64 Cb 0.09 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 2jsc s VAL 64 CO 0.82 -0.05 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.73 2jsc s VAL 65 N -0.76 1.12 0.38 1.32 1.01 0.50 -4.35 120.40 119.62 2jsc s VAL 65 Ca -0.01 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2jsc s VAL 65 Cb -0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 2jsc s VAL 65 CO 0.00 0.32 1.19 0.00 0.00 0.00 0.00 175.10 176.62 2jsc s ALA 66 N -0.33 3.24 0.06 5.51 0.00 -1.26 -1.42 121.76 127.56 2jsc s ALA 66 Ca 0.05 1.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 2jsc s ALA 66 Cb -0.06 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.71 2jsc s ALA 66 CO -0.01 -0.53 0.49 0.99 0.00 0.00 0.00 175.76 176.70 2jsc s THR 67 N -1.33 0.04 -0.11 0.00 2.01 -0.89 -4.95 115.64 110.41 2jsc s THR 67 Ca 0.54 -0.31 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 2jsc s THR 67 Cb -0.33 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2jsc s THR 67 CO 0.42 -0.17 0.91 -0.31 -0.69 0.00 0.00 174.62 174.78 2jsc s TYR 68 N -2.62 3.50 -0.24 4.92 1.51 -1.26 -0.18 117.35 122.99 2jsc s TYR 68 Ca -0.04 1.45 0.27 0.00 -1.01 0.00 0.00 57.07 57.74 2jsc s TYR 68 Cb -0.00 -3.08 1.18 0.00 -0.11 0.00 0.00 41.96 39.94 2jsc s TYR 68 CO -0.03 -0.18 1.81 1.05 -1.11 0.00 0.00 175.55 177.09 2jsc h GLU 69 N 7.11 0.00 0.00 -0.62 -0.00 -1.33 -3.45 114.58 116.29 2jsc h GLU 69 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 2jsc h GLU 69 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 2jsc h GLU 69 CO 0.83 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.25 2jsc n GLY 70 N -0.19 1.35 0.00 1.06 0.00 -1.26 -4.94 105.19 101.21 2jsc n GLY 70 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.18 -3.43 1.61 0.00 -1.26 -5.13 116.66 110.63 2jsc n ARG 71 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 2jsc n ARG 71 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 32.46 32.23 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 -0.15 2.66 0.11 -0.14 -1.52 -1.26 -5.11 119.66 114.26 2jsc s GLN 72 Ca 0.00 -1.41 -0.11 0.00 -1.95 0.00 0.00 55.36 51.89 2jsc s GLN 72 Cb 0.00 -2.51 -0.06 0.00 -0.22 0.00 0.00 33.01 30.21 2jsc s GLN 72 CO 0.00 -0.17 0.46 0.54 -0.25 0.00 0.00 175.29 175.87 2jsc s VAL 73 N -2.41 5.00 0.21 1.09 0.11 -1.26 -0.90 120.40 122.24 2jsc s VAL 73 Ca 0.49 0.58 0.04 0.00 -2.93 0.00 0.00 61.98 60.15 2jsc s VAL 73 Cb -0.06 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.07 2jsc s VAL 73 CO 0.29 0.24 -0.02 0.00 -3.33 0.00 0.00 175.10 172.28 2jsc s ARG 74 N -2.01 1.28 -0.20 1.54 1.70 0.75 -4.07 118.95 117.94 2jsc s ARG 74 Ca 0.36 -1.63 -0.01 0.00 -0.47 0.00 0.00 55.73 53.98 2jsc s ARG 74 Cb -0.14 -0.61 0.01 0.00 -0.57 0.00 0.00 34.95 33.63 2jsc s ARG 74 CO 0.19 -0.06 -0.12 0.71 -1.08 0.00 0.00 175.30 174.94 2jsc s TYR 75 N -3.40 2.87 0.20 5.89 2.02 -1.26 -2.08 117.35 121.58 2jsc s TYR 75 Ca 0.26 -1.29 0.10 0.00 -0.37 0.00 0.00 57.07 55.78 2jsc s TYR 75 Cb 0.05 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 2jsc s TYR 75 CO 0.07 -0.68 -0.21 0.00 -1.57 0.00 0.00 175.55 173.16 2jsc s ALA 76 N 1.38 2.38 0.34 3.71 0.00 -0.51 -4.25 121.76 124.81 2jsc s ALA 76 Ca 0.05 -1.62 -0.27 0.00 0.00 0.00 0.00 51.96 50.12 2jsc s ALA 76 Cb -0.14 -0.27 -0.13 0.00 0.00 0.00 0.00 23.12 22.59 2jsc s ALA 76 CO -0.08 0.34 1.12 -0.11 0.00 0.00 0.00 175.76 177.03 2jsc n LEU 77 N 0.15 2.66 0.14 0.00 7.94 -1.26 -0.37 117.00 126.26 2jsc n LEU 77 Ca -0.12 1.16 0.02 0.00 -1.11 0.00 0.00 56.01 55.97 2jsc n LEU 77 Cb 0.57 -1.38 0.37 0.00 0.53 0.00 0.00 43.42 43.51 2jsc n LEU 77 CO 0.30 -1.04 0.82 0.00 -1.11 0.00 0.00 177.39 176.36 2jsc h ALA 78 N 2.13 1.44 -2.75 1.96 0.00 -1.39 -3.43 119.26 117.21 2jsc h ALA 78 Ca -0.43 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.30 2jsc h ALA 78 Cb 1.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jsc h ALA 78 CO 0.61 0.40 0.46 0.16 0.00 0.00 0.00 179.25 180.87 2jsc s ASP 79 N -6.90 0.02 0.45 0.00 -4.77 -1.26 -4.99 116.67 99.22 2jsc s ASP 79 Ca -0.05 -0.91 0.16 0.00 -3.30 0.00 0.00 52.55 48.46 2jsc s ASP 79 Cb 0.15 0.66 1.10 0.00 -1.09 0.00 0.00 42.92 43.74 2jsc s ASP 79 CO 0.73 -1.31 1.98 0.28 0.70 0.00 0.00 175.17 177.55 2jsc h SER 80 N 2.00 0.30 -0.23 2.11 0.02 -1.98 -2.27 113.55 113.51 2jsc h SER 80 Ca -0.30 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 2jsc h SER 80 Cb 1.23 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2jsc h SER 80 CO 0.39 0.17 -0.14 0.45 -1.14 0.00 0.00 176.83 176.57 2jsc h HIS 81 N 0.33 0.57 -0.35 3.45 3.86 -1.98 0.32 115.15 121.35 2jsc h HIS 81 Ca 0.28 -0.15 -0.15 0.00 -1.16 0.00 0.00 60.37 59.18 2jsc h HIS 81 Cb 0.65 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 2jsc h HIS 81 CO -0.00 0.79 -0.38 -0.07 0.86 0.00 0.00 177.93 179.13 2jsc h LEU 82 N 0.20 0.95 -1.42 2.43 3.38 -1.95 -1.06 115.31 117.83 2jsc h LEU 82 Ca 0.05 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jsc h LEU 82 Cb 0.65 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jsc h LEU 82 CO 0.04 1.23 0.27 0.00 0.09 0.00 0.00 178.44 180.07 2jsc h ALA 83 N 0.75 1.56 0.01 1.53 0.00 -1.35 0.54 119.26 122.29 2jsc h ALA 83 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jsc h ALA 83 Cb 0.97 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jsc h ALA 83 CO 0.09 0.37 -0.00 -0.09 0.00 0.00 0.00 179.25 179.62 2jsc h ARG 84 N 0.68 -0.01 -0.21 0.00 9.65 -0.88 -0.37 114.38 123.23 2jsc h ARG 84 Ca 0.18 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 2jsc h ARG 84 Cb 0.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2jsc h ARG 84 CO -0.03 0.58 0.01 0.00 2.80 0.00 0.00 179.97 183.33 2jsc h ALA 85 N 0.37 0.29 0.13 2.80 0.00 -0.70 0.87 119.26 123.01 2jsc h ALA 85 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2jsc h ALA 85 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jsc h ALA 85 CO 0.00 -0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.44 2jsc h LEU 86 N 0.14 -0.14 -1.17 0.00 7.12 -1.07 -2.99 115.31 117.21 2jsc h LEU 86 Ca 0.06 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2jsc h LEU 86 Cb 0.38 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 2jsc h LEU 86 CO 0.01 -0.08 0.00 0.61 -0.13 0.00 0.00 178.44 178.84 2jsc n GLY 87 N -1.11 1.58 0.13 3.75 0.00 -0.15 -3.28 105.19 106.11 2jsc n GLY 87 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2jsc n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jsc n GLU 88 N 0.08 0.22 0.00 1.61 4.07 0.28 -4.85 120.64 122.06 2jsc n GLU 88 Ca 0.00 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2jsc n GLU 88 Cb 0.29 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.82 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2jsc n LEU 89 N -3.35 0.00 -0.25 4.31 7.94 -1.21 -4.95 117.00 119.50 2jsc n LEU 89 Ca -0.06 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.81 2jsc n LEU 89 Cb 0.21 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.15 2jsc n LEU 89 CO 0.09 0.00 -0.03 0.52 -1.11 0.00 0.00 177.39 176.86 2jsc n VAL 90 N 0.00 0.00 0.00 1.96 0.31 -1.21 -3.74 118.33 115.66 2jsc n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 90 Cb 0.00 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 2jsc n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jsc n GLN 91 N 0.41 0.00 -0.29 5.55 -0.06 -1.26 -4.72 117.38 117.00 2jsc n GLN 91 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 2jsc n GLN 91 Cb 0.49 -0.62 0.00 0.00 -4.06 0.00 0.00 30.24 26.05 2jsc n GLN 91 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2jsc n VAL 92 N -2.00 1.33 -0.09 1.69 3.14 -1.26 -4.73 118.33 116.42 2jsc n VAL 92 Ca 0.00 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 2jsc n VAL 92 Cb 0.00 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 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 1.40 0.00 -0.07 1.55 0.31 -1.26 -3.88 118.33 116.39 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 0.38 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 0.00 -0.10 -4.76 7.52 0.00 -1.24 -5.07 117.00 113.34 2jsc n LEU 94 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.60 2jsc n LEU 94 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 43.42 43.36 2jsc n LEU 94 CO 0.00 0.00 1.17 0.00 0.00 0.00 0.00 177.39 178.56 2jsc s ALA 95 N 0.00 3.65 0.75 1.96 0.00 -1.25 -5.05 121.76 121.82 2jsc s ALA 95 Ca 0.00 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 2jsc s ALA 95 Cb 0.00 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.54 2jsc s ALA 95 CO 0.00 -0.99 1.08 0.14 0.00 0.00 0.00 175.76 175.99 2jsc s VAL 96 N -0.57 3.54 0.19 0.00 -7.23 -1.26 -5.03 120.40 110.03 2jsc s VAL 96 Ca 0.57 0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 61.15 2jsc s VAL 96 Cb -0.46 -3.24 0.10 0.00 0.56 0.00 0.00 36.38 33.33 2jsc s VAL 96 CO 0.55 -0.65 1.72 -2.24 -0.31 0.00 0.00 175.10 174.16 2jsc h ASP 97 N -0.91 0.98 -0.35 4.85 3.04 -2.00 -3.35 116.42 118.67 2jsc h ASP 97 Ca -0.45 -0.21 -0.47 0.00 -3.24 0.00 0.00 57.03 52.66 2jsc h ASP 97 Cb 1.24 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 39.26 2jsc h ASP 97 CO 0.58 0.92 1.61 0.35 -2.04 0.00 0.00 179.24 180.66 2jsc n THR 98 N -4.33 2.13 -2.15 1.15 -2.24 -1.26 -4.87 114.28 102.71 2jsc n THR 98 Ca 0.05 -2.11 -0.31 0.00 -2.27 0.00 0.00 64.05 59.41 2jsc n THR 98 Cb 0.22 -2.24 -0.05 0.00 -2.10 0.00 0.00 70.33 66.15 2jsc n THR 98 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2jsc s ASP 99 N 5.72 5.32 0.34 3.42 -4.77 -1.26 -4.95 116.67 120.50 2jsc s ASP 99 Ca 0.63 -1.79 -0.29 0.00 -3.30 0.00 0.00 52.55 47.81 2jsc s ASP 99 Cb 0.05 -2.59 -0.11 0.00 -1.09 0.00 0.00 42.92 39.18 2jsc s ASP 99 CO 0.12 -2.77 1.50 -1.10 0.70 0.00 0.00 175.17 173.62 2jsc s GLN 100 N 6.11 4.14 0.79 2.11 -1.52 -1.26 -4.96 119.66 125.07 2jsc s GLN 100 Ca 0.66 2.54 -0.11 0.00 -1.95 0.00 0.00 55.36 56.50 2jsc s GLN 100 Cb -0.00 -3.00 0.06 0.00 -0.22 0.00 0.00 33.01 29.86 2jsc s GLN 100 CO 0.12 -0.53 1.09 -1.25 -0.25 0.00 0.00 175.29 174.47 2jsc s PRO 101 N -1.55 2.15 -0.40 2.91 0.04 -1.26 -4.83 135.00 132.06 2jsc s PRO 101 Ca 0.56 1.14 -0.42 0.00 0.04 0.00 0.00 61.00 62.31 2jsc s PRO 101 Cb -0.46 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.02 2jsc s PRO 101 CO 0.57 -1.71 1.86 0.00 0.04 0.00 0.00 177.00 177.76 2jsc n VAL 103 N 5.23 0.31 -2.62 0.00 3.14 -1.26 -4.58 118.33 118.56 2jsc n VAL 103 Ca 0.36 0.08 -0.42 0.00 -2.96 0.00 0.00 64.34 61.40 2jsc n VAL 103 Cb 0.06 -0.66 -0.03 0.00 -1.06 0.00 0.00 33.84 32.14 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jsc s ALA 104 N -2.90 3.29 -0.91 1.55 0.00 -1.26 -3.22 121.76 118.31 2jsc s ALA 104 Ca 0.15 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2jsc s ALA 104 Cb 0.16 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2jsc s ALA 104 CO 0.42 -0.40 0.00 0.39 0.00 0.00 0.00 175.76 176.17 2jsc n GLU 105 N 4.26 -1.70 0.00 0.00 4.71 -1.26 -5.25 120.64 121.40 2jsc n GLU 105 Ca 0.08 0.51 0.15 0.00 -0.01 0.00 0.00 57.16 57.89 2jsc n GLU 105 Cb 0.49 -4.85 0.73 0.00 -1.01 0.00 0.00 31.44 26.80 2jsc n GLU 105 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09