#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 -1.34 -0.66 0.00 3.38 -2.05 -0.75 115.31 113.88 2jsc h LEU 11 Ca 0.00 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2jsc h LEU 11 Cb 0.00 0.67 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2jsc h LEU 11 CO 0.00 -0.30 0.25 0.00 0.09 0.00 0.00 178.44 178.48 2jsc h ALA 12 N 1.08 0.86 -0.23 1.53 0.00 -2.05 -0.50 119.26 119.96 2jsc h ALA 12 Ca 0.27 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2jsc h ALA 12 Cb 0.57 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2jsc h ALA 12 CO -0.81 0.50 -0.12 -0.09 0.00 0.00 0.00 179.25 178.72 2jsc h ARG 13 N 0.94 -0.10 -0.16 0.00 2.43 -1.61 -2.07 114.38 113.81 2jsc h ARG 13 Ca 0.22 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2jsc h ARG 13 Cb 0.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2jsc h ARG 13 CO -0.01 -0.06 -0.02 1.25 -1.51 0.00 0.00 179.97 179.61 2jsc h LEU 14 N -0.10 0.30 -0.53 3.80 7.12 -0.93 -1.46 115.31 123.50 2jsc h LEU 14 Ca 0.13 -0.33 -0.10 0.00 0.13 0.00 0.00 57.88 57.71 2jsc h LEU 14 Cb 0.29 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 2jsc h LEU 14 CO -0.29 0.56 -0.04 1.23 -0.13 0.00 0.00 178.44 179.77 2jsc h GLY 15 N 0.03 1.05 1.02 3.75 0.00 -1.05 -2.35 103.07 105.52 2jsc h GLY 15 Ca 0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 2jsc h GLY 15 CO 0.01 0.74 0.57 -0.09 0.00 0.00 0.00 176.54 177.77 2jsc h ARG 16 N 0.84 1.25 0.00 4.80 1.12 -1.41 0.22 114.38 121.19 2jsc h ARG 16 Ca 0.15 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2jsc h ARG 16 Cb 0.59 -0.27 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2jsc h ARG 16 CO 0.04 0.87 0.00 0.00 -3.11 0.00 0.00 179.97 177.76 2jsc n ALA 17 N -2.38 1.69 -0.03 2.80 0.00 -0.55 -2.21 120.51 119.83 2jsc n ALA 17 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 2jsc n ALA 17 Cb 0.05 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.16 1.69 -4.41 0.00 4.32 -0.72 -4.98 117.00 111.74 2jsc n LEU 18 Ca 0.05 -0.02 -0.44 0.00 -0.02 0.00 0.00 56.01 55.58 2jsc n LEU 18 Cb 0.05 -0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 41.74 2jsc n LEU 18 CO 0.06 0.39 0.59 0.00 -1.22 0.00 0.00 177.39 177.21 2jsc s ALA 19 N -2.12 3.31 0.27 -1.18 0.00 0.68 -4.42 121.76 118.30 2jsc s ALA 19 Ca -0.06 -2.16 -0.21 0.00 0.00 0.00 0.00 51.96 49.54 2jsc s ALA 19 Cb 0.02 -3.70 0.04 0.00 0.00 0.00 0.00 23.12 19.48 2jsc s ALA 19 CO 0.17 -2.56 0.79 -0.51 0.00 0.00 0.00 175.76 173.65 2jsc s ASP 20 N 3.62 -0.18 0.00 0.00 1.11 -1.26 -4.59 116.67 115.37 2jsc s ASP 20 Ca 0.17 -0.68 0.00 0.00 0.18 0.00 0.00 52.55 52.23 2jsc s ASP 20 Cb -0.19 0.70 0.00 0.00 1.07 0.00 0.00 42.92 44.49 2jsc s ASP 20 CO 0.06 -1.31 0.00 -0.81 1.18 0.00 0.00 175.17 174.29 2jsc n PRO 21 N -0.49 0.00 -0.16 8.23 -0.04 -1.26 -3.97 135.00 137.31 2jsc n PRO 21 Ca -0.05 0.00 0.29 0.00 -0.04 0.00 0.00 63.50 63.70 2jsc n PRO 21 Cb 0.60 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.78 2jsc n PRO 21 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jsc h THR 22 N 0.00 0.45 0.00 0.52 2.02 -1.99 0.11 112.91 114.02 2jsc h THR 22 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2jsc h THR 22 Cb 0.00 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2jsc h THR 22 CO 0.00 0.00 -0.22 -0.09 0.37 0.00 0.00 175.52 175.58 2jsc h ARG 23 N 0.00 0.00 -0.05 6.66 2.43 -1.90 0.23 114.38 121.75 2jsc h ARG 23 Ca 0.42 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.47 2jsc h ARG 23 Cb 1.79 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.35 2jsc h ARG 23 CO -0.00 0.22 -0.43 0.00 -1.51 0.00 0.00 179.97 178.24 2jsc h ARG 25 N -0.10 0.54 -0.43 0.00 9.65 -1.17 0.64 114.38 123.50 2jsc h ARG 25 Ca -0.04 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.90 2jsc h ARG 25 Cb 1.11 -0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 29.48 2jsc h ARG 25 CO 0.09 0.36 -0.18 0.82 2.80 0.00 0.00 179.97 183.86 2jsc h ILE 26 N 0.56 0.44 -0.48 1.20 1.08 -0.65 -0.33 117.51 119.32 2jsc h ILE 26 Ca 0.30 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.78 2jsc h ILE 26 Cb 0.28 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2jsc h ILE 26 CO -0.24 0.00 0.31 -0.07 -0.69 0.00 0.00 178.15 177.46 2jsc h LEU 27 N -0.09 0.53 -1.48 1.44 3.38 -0.90 -1.38 115.31 116.82 2jsc h LEU 27 Ca 0.21 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2jsc h LEU 27 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jsc h LEU 27 CO -0.49 0.38 -0.26 -0.37 0.09 0.00 0.00 178.44 177.78 2jsc h VAL 28 N 0.63 0.99 0.00 1.22 -1.51 -0.31 -2.61 116.25 114.66 2jsc h VAL 28 Ca 0.18 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2jsc h VAL 28 Cb -0.05 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2jsc h VAL 28 CO -0.05 0.26 -0.02 0.00 -1.23 0.00 0.00 177.57 176.52 2jsc h ALA 29 N 1.74 0.99 -0.05 5.19 0.00 -0.62 -3.24 119.26 123.27 2jsc h ALA 29 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jsc h ALA 29 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jsc h ALA 29 CO 0.03 0.00 0.02 -0.07 0.00 0.00 0.00 179.25 179.23 2jsc h LEU 30 N 0.00 0.06 -0.57 0.00 3.38 -0.86 -2.90 115.31 114.43 2jsc h LEU 30 Ca 0.00 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.92 2jsc h LEU 30 Cb 1.00 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 2jsc h LEU 30 CO 0.00 0.20 -0.30 0.25 0.09 0.00 0.00 178.44 178.67 2jsc h LEU 31 N -0.08 -1.05 -3.50 1.67 6.46 -1.58 0.30 115.31 117.53 2jsc h LEU 31 Ca 0.02 0.22 -0.10 0.00 -0.12 0.00 0.00 57.88 57.89 2jsc h LEU 31 Cb 0.15 0.53 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 2jsc h LEU 31 CO -0.00 -0.29 0.09 0.47 -0.62 0.00 0.00 178.44 178.09 2jsc n ASP 32 N -5.43 4.35 0.00 1.25 8.00 -1.26 -4.75 116.55 118.71 2jsc n ASP 32 Ca 0.04 -3.18 0.00 0.00 0.71 0.00 0.00 54.79 52.36 2jsc n ASP 32 Cb 0.35 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jsc n GLY 33 N -0.29 0.39 3.01 0.44 0.00 -0.07 -5.01 105.19 103.66 2jsc n GLY 33 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.55 0.00 0.00 1.61 0.24 -0.26 -4.85 118.33 114.52 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 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 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 -0.33 0.99 0.32 0.00 2.02 -1.26 -4.02 117.35 115.07 2jsc s TYR 36 Ca 0.00 -1.11 0.37 0.00 -0.37 0.00 0.00 57.07 55.96 2jsc s TYR 36 Cb 0.00 -0.57 1.76 0.00 -0.40 0.00 0.00 41.96 42.75 2jsc s TYR 36 CO 0.00 -0.35 2.13 -1.00 -1.57 0.00 0.00 175.55 174.76 2jsc h PRO 37 N 2.82 0.00 -0.45 -1.71 0.13 -1.91 -0.85 132.00 130.02 2jsc h PRO 37 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jsc h PRO 37 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jsc h PRO 37 CO 0.62 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2jsc n GLY 38 N -0.40 2.23 0.18 1.56 0.00 -1.26 -4.77 105.19 102.74 2jsc n GLY 38 Ca -0.01 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 3.20 0.00 0.00 1.61 -0.00 -1.55 -3.00 115.11 115.36 2jsc h GLN 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jsc h GLN 39 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.32 2jsc h GLN 39 CO 0.00 0.39 0.00 -0.07 -0.00 0.00 0.00 178.83 179.15 2jsc h LEU 40 N 0.00 0.00 -1.66 0.06 3.38 -1.86 -1.33 115.31 113.90 2jsc h LEU 40 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jsc h LEU 40 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2jsc h LEU 40 CO 0.05 0.00 0.16 0.00 0.09 0.00 0.00 178.44 178.74 2jsc h ALA 41 N 2.01 1.75 0.03 1.53 0.00 -1.72 -0.71 119.26 122.15 2jsc h ALA 41 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2jsc h ALA 41 Cb 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jsc h ALA 41 CO 0.00 0.22 -0.95 0.00 0.00 0.00 0.00 179.25 178.53 2jsc h ALA 42 N 1.79 0.07 -0.77 0.00 0.00 -1.47 -0.78 119.26 118.09 2jsc h ALA 42 Ca 0.10 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2jsc h ALA 42 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jsc h ALA 42 CO -0.02 0.57 0.27 0.45 0.00 0.00 0.00 179.25 180.53 2jsc h HIS 43 N 0.19 1.21 0.00 0.00 -0.00 -1.56 -3.28 115.15 111.70 2jsc h HIS 43 Ca -0.13 -0.11 -0.09 0.00 -0.00 0.00 0.00 60.37 60.05 2jsc h HIS 43 Cb 1.63 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 28.67 2jsc h HIS 43 CO 0.12 0.93 -1.44 1.28 -0.00 0.00 0.00 177.93 178.83 2jsc n LEU 44 N -4.27 0.64 0.00 2.43 4.77 -0.30 -4.97 117.00 115.30 2jsc n LEU 44 Ca 0.07 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2jsc n LEU 44 Cb 0.21 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2jsc n LEU 44 CO 0.41 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2jsc n GLY 45 N 1.31 0.42 3.83 -0.72 0.00 -0.31 -5.03 105.19 104.69 2jsc n GLY 45 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 3.98 0.72 0.99 1.43 -1.14 -5.01 118.68 119.66 2jsc s LEU 46 Ca 0.00 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 2jsc s LEU 46 Cb 0.00 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.64 2jsc s LEU 46 CO 0.00 0.13 1.18 0.42 0.23 0.00 0.00 176.35 178.31 2jsc s THR 47 N -1.56 2.50 0.49 5.49 -4.23 -1.26 -4.37 115.64 112.70 2jsc s THR 47 Ca 0.32 0.24 0.18 0.00 -1.18 0.00 0.00 61.69 61.25 2jsc s THR 47 Cb -0.12 -2.78 0.34 0.00 1.34 0.00 0.00 72.50 71.28 2jsc s THR 47 CO 0.24 -0.14 2.03 0.08 -0.54 0.00 0.00 174.62 176.30 2jsc h ARG 48 N -0.29 0.15 -0.01 3.99 0.11 -1.95 0.14 114.38 116.53 2jsc h ARG 48 Ca -0.47 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 2jsc h ARG 48 Cb 1.28 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 2jsc h ARG 48 CO 0.50 0.10 -0.01 0.77 0.10 0.00 0.00 179.97 181.43 2jsc h SER 49 N 0.16 0.03 -0.52 0.08 0.02 -1.98 -0.89 113.55 110.44 2jsc h SER 49 Ca 0.19 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2jsc h SER 49 Cb 0.54 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2jsc h SER 49 CO -0.03 0.50 0.17 -1.13 -1.14 0.00 0.00 176.83 175.20 2jsc h ASN 50 N -0.43 0.79 0.07 3.07 -0.73 -1.63 -0.12 115.58 116.60 2jsc h ASN 50 Ca 0.00 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.04 2jsc h ASN 50 Cb 0.49 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.87 2jsc h ASN 50 CO 0.00 0.75 -0.03 0.58 -0.37 0.00 0.00 177.43 178.36 2jsc h VAL 51 N 0.83 1.06 -0.45 2.57 2.07 -0.83 -3.22 116.25 118.28 2jsc h VAL 51 Ca 0.19 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2jsc h VAL 51 Cb 0.25 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2jsc h VAL 51 CO -0.01 0.10 0.09 0.28 0.02 0.00 0.00 177.57 178.05 2jsc h SER 52 N -0.27 0.63 -1.03 0.57 0.02 -0.75 -1.36 113.55 111.36 2jsc h SER 52 Ca -0.01 -0.10 0.25 0.00 -0.84 0.00 0.00 61.79 61.09 2jsc h SER 52 Cb 0.23 -0.16 -0.10 0.00 0.14 0.00 0.00 62.40 62.51 2jsc h SER 52 CO 0.01 0.64 0.65 0.78 -1.14 0.00 0.00 176.83 177.77 2jsc h ASN 53 N 0.65 0.51 -0.24 3.07 4.21 -1.07 -0.29 115.58 122.42 2jsc h ASN 53 Ca 0.15 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2jsc h ASN 53 Cb 0.27 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2jsc h ASN 53 CO 0.00 0.11 0.00 1.41 -1.29 0.00 0.00 177.43 177.66 2jsc n HIS 54 N -4.67 0.29 -0.03 1.19 8.25 -0.58 -4.12 115.22 115.54 2jsc n HIS 54 Ca 0.25 -0.15 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 2jsc n HIS 54 Cb 0.83 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.79 2jsc n HIS 54 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jsc n LEU 55 N 1.41 1.04 -0.14 2.41 4.77 -0.25 -4.46 117.00 121.77 2jsc n LEU 55 Ca 0.17 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 2jsc n LEU 55 Cb 0.59 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.61 2jsc n LEU 55 CO 0.15 0.49 0.51 -1.28 -1.33 0.00 0.00 177.39 175.93 2jsc h SER 56 N 0.01 -1.78 1.56 -1.43 0.87 -1.34 -0.84 113.55 110.59 2jsc h SER 56 Ca -0.36 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2jsc h SER 56 Cb 2.05 0.74 -0.00 0.00 -0.44 0.00 0.00 62.40 64.75 2jsc h SER 56 CO 0.07 -0.40 -0.09 0.00 -0.53 0.00 0.00 176.83 175.88 2jsc h LEU 58 N 0.00 0.73 -0.01 0.00 5.85 -1.39 0.00 115.31 120.49 2jsc h LEU 58 Ca -0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2jsc h LEU 58 Cb 0.89 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2jsc h LEU 58 CO 0.01 0.59 -0.03 0.03 -0.34 0.00 0.00 178.44 178.70 2jsc h ARG 59 N 0.83 0.00 0.08 1.25 3.08 -1.36 -1.71 114.38 116.54 2jsc h ARG 59 Ca 0.21 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.90 2jsc h ARG 59 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2jsc h ARG 59 CO -0.03 0.03 -2.06 0.41 -1.07 0.00 0.00 179.97 177.25 2jsc n GLY 60 N 1.10 -0.54 0.00 0.04 0.00 -0.81 -3.98 105.19 101.01 2jsc n GLY 60 Ca 0.04 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.56 0.90 0.23 0.00 0.00 -1.20 -4.96 105.19 100.72 2jsc n GLY 62 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -8.32 0.99 3.38 -1.63 -3.42 115.31 106.31 2jsc h LEU 63 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2jsc h LEU 63 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 2jsc h LEU 63 CO 0.00 0.19 -0.87 0.68 0.09 0.00 0.00 178.44 178.53 2jsc s VAL 64 N -4.51 1.83 -0.07 1.22 -7.23 -1.01 -1.74 120.40 108.90 2jsc s VAL 64 Ca -0.04 -0.91 0.05 0.00 -1.81 0.00 0.00 61.98 59.27 2jsc s VAL 64 Cb 0.15 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 2jsc s VAL 64 CO 0.68 0.51 -0.24 -0.69 -0.31 0.00 0.00 175.10 175.05 2jsc s VAL 65 N 0.18 1.99 0.40 1.32 1.01 0.43 -4.35 120.40 121.38 2jsc s VAL 65 Ca -0.11 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 2jsc s VAL 65 Cb -0.15 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.44 2jsc s VAL 65 CO 0.06 0.55 1.15 0.00 0.00 0.00 0.00 175.10 176.86 2jsc s ALA 66 N 0.06 3.13 0.10 5.51 0.00 -1.26 -1.32 121.76 127.97 2jsc s ALA 66 Ca -0.10 0.93 -0.21 0.00 0.00 0.00 0.00 51.96 52.59 2jsc s ALA 66 Cb -0.15 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.65 2jsc s ALA 66 CO 0.06 -0.50 0.52 0.99 0.00 0.00 0.00 175.76 176.82 2jsc s THR 67 N -1.45 0.03 -0.04 0.00 2.01 -0.91 -4.94 115.64 110.34 2jsc s THR 67 Ca 0.58 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 2jsc s THR 67 Cb -0.29 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2jsc s THR 67 CO 0.37 -0.13 0.47 -0.31 -0.69 0.00 0.00 174.62 174.33 2jsc s TYR 68 N -3.19 3.64 -0.89 4.92 1.51 -1.26 -0.07 117.35 122.02 2jsc s TYR 68 Ca -0.01 1.00 0.28 0.00 -1.01 0.00 0.00 57.07 57.32 2jsc s TYR 68 Cb -0.00 -2.45 1.06 0.00 -0.11 0.00 0.00 41.96 40.45 2jsc s TYR 68 CO -0.08 0.41 1.86 -0.85 -1.11 0.00 0.00 175.55 175.78 2jsc n GLU 69 N 2.67 0.11 0.00 -0.62 -0.00 0.09 -4.87 120.64 118.01 2jsc n GLU 69 Ca -0.10 0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 2jsc n GLU 69 Cb 0.52 -1.63 0.00 0.00 -0.00 0.00 0.00 31.44 30.33 2jsc n GLU 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jsc n GLY 70 N 1.38 3.64 0.09 -1.84 0.00 -1.26 -4.84 105.19 102.35 2jsc n GLY 70 Ca 0.06 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.19 2jsc n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsc n ARG 71 N 0.00 0.62 -3.86 1.61 1.74 -1.26 -5.01 116.66 110.50 2jsc n ARG 71 Ca 0.00 0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 57.08 2jsc n ARG 71 Cb 0.00 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2jsc s GLN 72 N -3.23 1.61 0.49 5.56 2.00 -1.26 -5.17 119.66 119.65 2jsc s GLN 72 Ca -0.03 -1.02 -0.09 0.00 -2.00 0.00 0.00 55.36 52.22 2jsc s GLN 72 Cb 0.10 0.55 -0.05 0.00 0.80 0.00 0.00 33.01 34.41 2jsc s GLN 72 CO 0.82 -0.71 0.84 0.14 -0.50 0.00 0.00 175.29 175.88 2jsc s VAL 73 N -3.93 4.81 0.20 1.34 -7.23 -1.26 -0.73 120.40 113.60 2jsc s VAL 73 Ca 0.14 0.52 0.05 0.00 -1.81 0.00 0.00 61.98 60.87 2jsc s VAL 73 Cb -0.03 -3.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 2jsc s VAL 73 CO 0.05 -0.80 -0.07 0.00 -0.31 0.00 0.00 175.10 173.97 2jsc s ARG 74 N -4.51 1.27 -0.34 4.82 1.70 0.90 -3.77 118.95 119.03 2jsc s ARG 74 Ca 0.51 -1.60 -0.08 0.00 -0.47 0.00 0.00 55.73 54.09 2jsc s ARG 74 Cb -0.10 -0.80 0.03 0.00 -0.57 0.00 0.00 34.95 33.51 2jsc s ARG 74 CO 0.42 0.04 0.13 0.71 -1.08 0.00 0.00 175.30 175.51 2jsc s TYR 75 N -3.24 3.23 0.03 5.89 2.02 -1.26 -2.15 117.35 121.88 2jsc s TYR 75 Ca 0.23 -1.22 0.03 0.00 -0.37 0.00 0.00 57.07 55.74 2jsc s TYR 75 Cb 0.03 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2jsc s TYR 75 CO 0.06 -0.68 -0.04 0.00 -1.57 0.00 0.00 175.55 173.32 2jsc s ALA 76 N 1.46 3.13 0.49 3.71 0.00 -0.44 -4.48 121.76 125.64 2jsc s ALA 76 Ca 0.00 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 2jsc s ALA 76 Cb -0.19 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.68 2jsc s ALA 76 CO 0.04 0.64 1.16 1.28 0.00 0.00 0.00 175.76 178.88 2jsc n LEU 77 N 1.24 3.95 0.08 0.00 4.77 -1.26 -0.43 117.00 125.36 2jsc n LEU 77 Ca -0.14 0.99 -0.02 0.00 -0.03 0.00 0.00 56.01 56.81 2jsc n LEU 77 Cb 0.52 -1.46 0.24 0.00 -2.33 0.00 0.00 43.42 40.39 2jsc n LEU 77 CO 0.33 -1.11 0.68 0.00 -1.33 0.00 0.00 177.39 175.96 2jsc h ALA 78 N 1.43 1.15 -2.83 -1.18 0.00 -1.58 -3.44 119.26 112.81 2jsc h ALA 78 Ca -0.48 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 2jsc h ALA 78 Cb 1.32 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2jsc h ALA 78 CO 0.56 0.56 0.02 0.34 0.00 0.00 0.00 179.25 180.74 2jsc s ASP 79 N -6.87 -0.35 0.54 0.00 2.15 -1.26 -5.01 116.67 105.87 2jsc s ASP 79 Ca -0.05 -0.20 0.40 0.00 0.43 0.00 0.00 52.55 53.14 2jsc s ASP 79 Cb 0.14 0.52 1.60 0.00 -0.30 0.00 0.00 42.92 44.87 2jsc s ASP 79 CO 0.77 -0.89 1.72 0.77 -0.17 0.00 0.00 175.17 177.38 2jsc h SER 80 N 2.26 0.03 -0.57 -0.34 4.64 -1.99 -1.30 113.55 116.27 2jsc h SER 80 Ca -0.34 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.07 2jsc h SER 80 Cb 1.27 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 2jsc h SER 80 CO 0.44 -0.00 0.21 0.45 -0.87 0.00 0.00 176.83 177.06 2jsc h HIS 81 N 0.02 0.37 -0.05 4.77 3.86 -1.99 0.79 115.15 122.92 2jsc h HIS 81 Ca 0.70 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.83 2jsc h HIS 81 Cb 2.76 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 31.15 2jsc h HIS 81 CO -0.00 0.11 -0.40 -0.07 0.86 0.00 0.00 177.93 178.43 2jsc h LEU 82 N 0.40 0.44 -1.85 2.43 3.38 -1.66 -2.55 115.31 115.90 2jsc h LEU 82 Ca 0.28 -0.68 0.14 0.00 0.09 0.00 0.00 57.88 57.71 2jsc h LEU 82 Cb 0.33 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jsc h LEU 82 CO -0.28 1.05 0.40 0.00 0.09 0.00 0.00 178.44 179.71 2jsc h ALA 83 N 0.40 2.33 0.23 1.53 0.00 -1.45 -1.10 119.26 121.20 2jsc h ALA 83 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jsc h ALA 83 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jsc h ALA 83 CO 0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 179.25 178.73 2jsc h ARG 84 N 0.16 -0.30 0.00 0.00 3.08 -0.79 -0.40 114.38 116.14 2jsc h ARG 84 Ca 0.28 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2jsc h ARG 84 Cb 0.88 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2jsc h ARG 84 CO -0.04 -0.20 0.00 0.00 -1.07 0.00 0.00 179.97 178.66 2jsc n ALA 85 N -2.44 1.51 -0.01 0.04 0.00 -0.97 -0.25 120.51 118.39 2jsc n ALA 85 Ca -0.04 0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2jsc n ALA 85 Cb 0.12 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 2jsc n ALA 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jsc h LEU 86 N 0.00 -0.08 0.18 0.00 5.85 -1.31 -3.38 115.31 116.57 2jsc h LEU 86 Ca 0.00 -0.53 -0.32 0.00 0.84 0.00 0.00 57.88 57.87 2jsc h LEU 86 Cb 0.23 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2jsc h LEU 86 CO 0.00 0.60 -1.57 1.23 -0.34 0.00 0.00 178.44 178.37 2jsc h GLY 87 N -0.88 0.44 2.00 3.75 0.00 0.97 -3.24 103.07 106.11 2jsc h GLY 87 Ca -0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.19 2jsc h GLY 87 CO 0.02 0.98 -0.04 1.05 0.00 0.00 0.00 176.54 178.55 2jsc h GLU 88 N -0.01 0.00 -2.46 4.80 9.09 -0.84 -3.49 114.58 121.67 2jsc h GLU 88 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 2jsc h GLU 88 Cb 2.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.11 2jsc h GLU 88 CO 0.17 0.04 -0.55 -0.11 0.05 0.00 0.00 179.01 178.61 2jsc n LEU 89 N -3.38 -4.55 -4.64 3.06 7.94 -1.22 -4.92 117.00 109.28 2jsc n LEU 89 Ca -0.02 1.89 -0.43 0.00 -1.11 0.00 0.00 56.01 56.34 2jsc n LEU 89 Cb 0.17 -1.53 -0.01 0.00 0.53 0.00 0.00 43.42 42.59 2jsc n LEU 89 CO 0.26 -0.47 0.72 1.33 -1.11 0.00 0.00 177.39 178.12 2jsc n VAL 90 N 0.24 2.11 1.11 1.96 0.24 -1.26 -4.83 118.33 117.90 2jsc n VAL 90 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.91 2jsc n VAL 90 Cb 0.00 -1.29 0.58 0.00 -1.47 0.00 0.00 33.84 31.66 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 0.51 0.37 0.00 7.34 1.13 -1.26 -4.11 117.38 121.36 2jsc n GLN 91 Ca 0.07 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2jsc n GLN 91 Cb 0.35 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.20 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 -1.25 0.05 -0.98 5.09 3.14 -1.26 -4.68 118.33 118.44 2jsc n VAL 92 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2jsc n VAL 92 Cb 0.17 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 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 0.64 0.00 -1.31 1.55 0.31 -1.26 -3.78 118.33 114.48 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 0.04 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 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 -1.74 -4.79 7.52 0.00 -1.26 -5.09 117.00 111.64 2jsc n LEU 94 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.70 2jsc n LEU 94 Cb 0.13 -0.87 0.08 0.00 0.00 0.00 0.00 43.42 42.76 2jsc n LEU 94 CO 0.00 0.00 0.70 0.00 0.00 0.00 0.00 177.39 178.09 2jsc s ALA 95 N 0.00 2.38 0.47 1.96 0.00 -1.25 -5.04 121.76 120.28 2jsc s ALA 95 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.90 2jsc s ALA 95 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 2jsc s ALA 95 CO 0.00 -1.59 1.28 0.08 0.00 0.00 0.00 175.76 175.53 2jsc s VAL 96 N -2.96 2.59 0.00 0.00 1.01 -1.26 -4.92 120.40 114.86 2jsc s VAL 96 Ca 0.60 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 2jsc s VAL 96 Cb -0.16 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 2jsc s VAL 96 CO 0.56 0.03 1.44 0.47 0.00 0.00 0.00 175.10 177.59 2jsc n ASP 97 N -0.42 1.65 -4.50 3.32 8.00 -1.26 -4.84 116.55 118.49 2jsc n ASP 97 Ca 0.07 -1.79 -0.24 0.00 0.71 0.00 0.00 54.79 53.54 2jsc n ASP 97 Cb 0.45 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jsc s THR 98 N 2.33 1.96 -0.04 -3.53 -4.23 -1.26 -4.49 115.64 106.37 2jsc s THR 98 Ca 0.20 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.62 2jsc s THR 98 Cb 0.10 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 2jsc s THR 98 CO 0.00 -0.22 -0.23 -0.62 -0.54 0.00 0.00 174.62 173.01 2jsc s ASP 99 N -3.55 3.29 -0.02 3.99 2.15 -1.26 -4.69 116.67 116.58 2jsc s ASP 99 Ca 0.32 -0.42 -0.24 0.00 0.43 0.00 0.00 52.55 52.64 2jsc s ASP 99 Cb 0.04 -0.62 0.05 0.00 -0.30 0.00 0.00 42.92 42.08 2jsc s ASP 99 CO 0.15 0.30 0.52 -1.10 -0.17 0.00 0.00 175.17 174.86 2jsc s GLN 100 N -0.48 0.91 0.56 4.34 -1.52 -1.26 -5.16 119.66 117.05 2jsc s GLN 100 Ca 0.06 0.02 -0.20 0.00 -1.95 0.00 0.00 55.36 53.29 2jsc s GLN 100 Cb -0.11 0.42 -0.05 0.00 -0.22 0.00 0.00 33.01 33.05 2jsc s GLN 100 CO 0.01 -0.28 1.20 -1.25 -0.25 0.00 0.00 175.29 174.71 2jsc s PRO 101 N -1.41 3.16 -0.37 2.91 0.04 -1.26 -5.02 135.00 133.04 2jsc s PRO 101 Ca -0.11 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 2jsc s PRO 101 Cb -0.02 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.57 2jsc s PRO 101 CO 0.06 -1.05 0.16 0.00 0.04 0.00 0.00 177.00 176.21 2jsc n VAL 103 N 4.74 0.00 0.00 0.00 3.14 -1.26 -5.06 118.33 119.89 2jsc n VAL 103 Ca -0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2jsc n VAL 103 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jsc n ALA 104 N -1.19 0.00 0.08 1.55 0.00 -1.26 -4.69 120.51 115.00 2jsc n ALA 104 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2jsc n ALA 104 Cb 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 2jsc n ALA 104 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jsc h GLU 105 N 0.50 0.37 0.00 0.00 4.22 -1.99 -3.55 114.58 114.12 2jsc h GLU 105 Ca 0.00 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 58.97 2jsc h GLU 105 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2jsc h GLU 105 CO 0.00 1.15 0.00 -2.13 -2.18 0.00 0.00 179.01 175.85