#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 0.00 0.00 0.00 4.07 -1.98 0.24 115.31 117.64 2jsc h LEU 11 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jsc h LEU 11 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2jsc h LEU 11 CO 0.00 0.07 -0.00 0.00 -1.08 0.00 0.00 178.44 177.43 2jsc h ALA 12 N 1.93 -0.00 -0.56 1.53 0.00 -2.03 -3.05 119.26 117.08 2jsc h ALA 12 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 12 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2jsc h ALA 12 CO 0.01 -0.21 0.36 0.00 0.00 0.00 0.00 179.25 179.41 2jsc h ARG 13 N -0.59 0.74 0.39 0.00 2.47 -1.59 -1.74 114.38 114.05 2jsc h ARG 13 Ca -0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2jsc h ARG 13 Cb 0.59 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2jsc h ARG 13 CO 0.00 0.49 -0.37 1.25 0.56 0.00 0.00 179.97 181.91 2jsc h LEU 14 N 0.76 -0.99 -0.46 3.04 7.12 -0.64 0.14 115.31 124.28 2jsc h LEU 14 Ca 0.20 0.08 -0.16 0.00 0.13 0.00 0.00 57.88 58.13 2jsc h LEU 14 Cb -0.08 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 40.36 2jsc h LEU 14 CO -0.04 -0.52 -0.77 1.23 -0.13 0.00 0.00 178.44 178.21 2jsc h GLY 15 N -0.77 0.06 2.00 3.75 0.00 -1.44 0.04 103.07 106.71 2jsc h GLY 15 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2jsc h GLY 15 CO -0.05 0.09 -0.07 3.21 0.00 0.00 0.00 176.54 179.72 2jsc h ARG 16 N 0.03 0.00 0.00 4.80 3.08 -1.18 -1.94 114.38 119.17 2jsc h ARG 16 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2jsc h ARG 16 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 2jsc h ARG 16 CO 0.10 0.07 -0.70 0.00 -1.07 0.00 0.00 179.97 178.38 2jsc h ALA 17 N 1.93 0.69 0.00 0.04 0.00 -0.21 -3.35 119.26 118.37 2jsc h ALA 17 Ca -0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 2jsc h ALA 17 Cb 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jsc h ALA 17 CO 0.01 0.21 -0.82 1.25 0.00 0.00 0.00 179.25 179.91 2jsc h LEU 18 N 0.00 0.00 -6.08 0.00 5.85 -0.35 -3.31 115.31 111.43 2jsc h LEU 18 Ca -0.02 0.00 -0.72 0.00 0.84 0.00 0.00 57.88 57.97 2jsc h LEU 18 Cb 1.13 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.83 2jsc h LEU 18 CO 0.02 0.82 0.33 0.00 -0.34 0.00 0.00 178.44 179.26 2jsc n ALA 19 N -2.33 5.30 -2.48 1.25 0.00 -0.79 -4.31 120.51 117.15 2jsc n ALA 19 Ca 0.00 -4.69 -0.25 0.00 0.00 0.00 0.00 53.44 48.50 2jsc n ALA 19 Cb 0.83 -1.65 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.17 2.26 0.00 0.00 2.15 -1.25 -4.94 116.67 112.72 2jsc s ASP 20 Ca 0.41 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.99 2jsc s ASP 20 Cb 0.19 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.58 2jsc s ASP 20 CO -0.08 0.20 0.00 -0.81 -0.17 0.00 0.00 175.17 174.31 2jsc n PRO 21 N 2.37 0.00 -0.20 4.34 -0.04 -1.26 -1.01 135.00 139.21 2jsc n PRO 21 Ca -0.16 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 63.61 2jsc n PRO 21 Cb 0.53 -0.48 0.68 0.00 -0.04 0.00 0.00 33.50 34.20 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 0.26 -0.07 0.52 2.02 -1.99 -3.15 112.91 110.50 2jsc h THR 22 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2jsc h THR 22 Cb 0.00 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2jsc h THR 22 CO 0.00 0.00 -0.31 -0.09 0.37 0.00 0.00 175.52 175.49 2jsc h ARG 23 N 0.00 0.33 -0.37 6.66 2.43 -1.76 0.13 114.38 121.80 2jsc h ARG 23 Ca 0.46 -0.27 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2jsc h ARG 23 Cb 2.19 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.73 2jsc h ARG 23 CO -0.00 0.91 0.01 0.00 -1.51 0.00 0.00 179.97 179.38 2jsc h ARG 25 N 0.12 -0.20 -0.46 0.00 3.08 -1.62 0.37 114.38 115.66 2jsc h ARG 25 Ca 0.18 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.34 2jsc h ARG 25 Cb 0.24 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.25 2jsc h ARG 25 CO -0.29 -0.13 -0.13 0.82 -1.07 0.00 0.00 179.97 179.18 2jsc h ILE 26 N -0.20 0.52 -0.31 2.04 2.04 -0.24 -2.11 117.51 119.25 2jsc h ILE 26 Ca 0.13 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.85 2jsc h ILE 26 Cb 0.40 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2jsc h ILE 26 CO -0.35 0.00 -0.39 -0.07 0.00 0.00 0.00 178.15 177.34 2jsc h LEU 27 N -0.01 0.77 -0.75 1.44 3.38 -0.20 0.24 115.31 120.18 2jsc h LEU 27 Ca 0.22 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2jsc h LEU 27 Cb 0.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2jsc h LEU 27 CO -0.49 1.07 -0.10 1.62 0.09 0.00 0.00 178.44 180.64 2jsc h VAL 28 N 0.60 0.21 0.07 1.22 3.04 -0.87 -2.96 116.25 117.56 2jsc h VAL 28 Ca 0.05 -0.98 -0.17 0.00 -1.01 0.00 0.00 66.70 64.59 2jsc h VAL 28 Cb 0.93 1.82 0.02 0.00 -2.01 0.00 0.00 31.29 32.05 2jsc h VAL 28 CO 0.08 0.10 -0.72 0.00 -1.01 0.00 0.00 177.57 176.02 2jsc h ALA 29 N 1.90 -0.01 0.00 3.17 0.00 -0.95 -3.36 119.26 120.01 2jsc h ALA 29 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jsc h ALA 29 Cb 0.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jsc h ALA 29 CO 0.01 0.37 0.00 -0.07 0.00 0.00 0.00 179.25 179.56 2jsc h LEU 30 N -0.22 0.00 -1.99 0.00 3.38 -0.37 0.43 115.31 116.53 2jsc h LEU 30 Ca -0.11 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2jsc h LEU 30 Cb 1.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2jsc h LEU 30 CO 0.14 0.00 0.37 -0.07 0.09 0.00 0.00 178.44 178.97 2jsc h LEU 31 N 0.00 0.00 0.00 1.67 3.38 -1.69 -3.23 115.31 115.45 2jsc h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jsc h LEU 31 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2jsc h LEU 31 CO 0.00 0.00 -0.54 -0.67 0.09 0.00 0.00 178.44 177.32 2jsc n ASP 32 N -3.19 2.71 -0.06 -0.43 2.03 0.09 -4.94 116.55 112.75 2jsc n ASP 32 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2jsc n ASP 32 Cb 0.46 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 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 1.81 -0.39 1.78 0.27 0.00 0.13 -4.35 105.19 104.44 2jsc n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.41 0.62 -0.08 1.61 0.24 -1.26 -4.22 118.33 114.84 2jsc n VAL 34 Ca 0.00 -0.15 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 2jsc n VAL 34 Cb 0.02 -1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 31.23 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 -2.79 -0.51 -0.05 0.00 -0.85 -1.26 -4.28 117.35 107.60 2jsc s TYR 36 Ca -0.27 0.59 -0.29 0.00 -0.52 0.00 0.00 57.07 56.58 2jsc s TYR 36 Cb 0.04 0.42 -0.07 0.00 0.38 0.00 0.00 41.96 42.72 2jsc s TYR 36 CO 0.40 -0.69 2.01 -1.25 -1.52 0.00 0.00 175.55 174.49 2jsc s PRO 37 N -2.48 3.83 0.00 -3.49 0.04 -1.26 -1.09 135.00 130.56 2jsc s PRO 37 Ca -0.05 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2jsc s PRO 37 Cb -0.01 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2jsc s PRO 37 CO -0.02 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.13 2jsc n GLY 38 N 4.88 0.78 0.26 0.56 0.00 -1.26 -4.95 105.19 105.47 2jsc n GLY 38 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 3.70 0.00 0.00 1.61 -0.00 -1.46 -1.01 115.11 117.96 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2jsc h GLN 39 CO 0.00 0.02 0.00 -0.07 -0.00 0.00 0.00 178.83 178.78 2jsc h LEU 40 N 0.00 0.00 -0.75 0.06 3.38 -1.85 -2.78 115.31 113.37 2jsc h LEU 40 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jsc h LEU 40 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2jsc h LEU 40 CO 0.00 0.00 0.47 0.00 0.09 0.00 0.00 178.44 179.00 2jsc h ALA 41 N 2.02 0.95 0.10 1.53 0.00 -1.36 0.24 119.26 122.73 2jsc h ALA 41 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jsc h ALA 41 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jsc h ALA 41 CO 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 2jsc h ALA 42 N 1.25 -0.13 -0.76 0.00 0.00 -1.69 -0.49 119.26 117.43 2jsc h ALA 42 Ca 0.27 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2jsc h ALA 42 Cb -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2jsc h ALA 42 CO -0.05 -0.49 0.50 0.45 0.00 0.00 0.00 179.25 179.66 2jsc h HIS 43 N -0.30 0.81 0.00 0.00 -0.00 -1.55 -3.20 115.15 110.91 2jsc h HIS 43 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2jsc h HIS 43 Cb 0.25 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2jsc h HIS 43 CO -0.02 0.42 -1.36 1.28 -0.00 0.00 0.00 177.93 178.25 2jsc n LEU 44 N -4.49 0.50 -0.13 2.43 4.77 0.05 -4.98 117.00 115.15 2jsc n LEU 44 Ca 0.12 -0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 55.80 2jsc n LEU 44 Cb 0.24 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2jsc n LEU 44 CO 0.33 0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 177.11 2jsc n GLY 45 N 1.42 0.24 3.85 -0.72 0.00 -0.20 -4.99 105.19 104.80 2jsc n GLY 45 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.39 4.25 0.58 0.99 1.02 -1.23 -5.05 118.68 118.85 2jsc s LEU 46 Ca 0.00 0.38 -0.20 0.00 0.02 0.00 0.00 54.13 54.33 2jsc s LEU 46 Cb 0.00 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 2jsc s LEU 46 CO 0.00 0.37 1.28 1.07 0.02 0.00 0.00 176.35 179.09 2jsc n THR 47 N 1.75 4.16 0.16 5.49 5.66 -1.26 -4.30 114.28 125.94 2jsc n THR 47 Ca -0.18 -0.50 0.16 0.00 -3.05 0.00 0.00 64.05 60.48 2jsc n THR 47 Cb 0.54 -1.54 0.74 0.00 -1.55 0.00 0.00 70.33 68.53 2jsc n THR 47 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2jsc h ARG 48 N 1.03 0.00 0.29 1.09 0.11 -1.92 -1.04 114.38 113.95 2jsc h ARG 48 Ca -0.50 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 2jsc h ARG 48 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2jsc h ARG 48 CO 0.55 0.00 -0.14 0.66 0.10 0.00 0.00 179.97 181.14 2jsc h SER 49 N 0.00 -0.33 -0.34 0.08 4.64 -1.97 -2.73 113.55 112.89 2jsc h SER 49 Ca 0.11 -0.20 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 2jsc h SER 49 Cb 0.50 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.62 2jsc h SER 49 CO -0.00 0.10 -0.00 -1.13 -0.87 0.00 0.00 176.83 174.93 2jsc h ASN 50 N -0.87 -0.14 -0.94 4.97 -0.73 -1.60 -0.93 115.58 115.34 2jsc h ASN 50 Ca -0.04 0.08 0.02 0.00 1.87 0.00 0.00 56.30 58.23 2jsc h ASN 50 Cb 0.52 0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.20 2jsc h ASN 50 CO 0.07 -0.03 0.62 0.58 -0.37 0.00 0.00 177.43 178.29 2jsc h VAL 51 N 0.09 1.21 0.00 2.57 2.07 -1.37 -2.28 116.25 118.55 2jsc h VAL 51 Ca 0.17 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2jsc h VAL 51 Cb 0.23 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2jsc h VAL 51 CO -0.28 0.23 -0.36 0.28 0.02 0.00 0.00 177.57 177.46 2jsc h SER 52 N 1.25 0.00 -0.50 0.57 0.02 -1.02 -1.60 113.55 112.27 2jsc h SER 52 Ca 0.36 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 2jsc h SER 52 Cb -0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2jsc h SER 52 CO -0.09 0.36 0.30 -1.13 -1.14 0.00 0.00 176.83 175.13 2jsc h ASN 53 N 0.00 0.49 1.01 3.07 -1.24 -0.61 -0.39 115.58 117.91 2jsc h ASN 53 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 2jsc h ASN 53 Cb 0.78 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.72 2jsc h ASN 53 CO 0.05 0.35 -0.15 0.45 -1.29 0.00 0.00 177.43 176.83 2jsc h HIS 54 N 0.60 0.00 0.00 0.67 3.86 -1.32 -2.41 115.15 116.55 2jsc h HIS 54 Ca 0.20 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.35 2jsc h HIS 54 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2jsc h HIS 54 CO -0.06 0.15 -0.28 -0.07 0.86 0.00 0.00 177.93 178.53 2jsc h LEU 55 N 0.00 0.00 -0.88 2.43 3.38 -0.41 -2.84 115.31 116.99 2jsc h LEU 55 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2jsc h LEU 55 Cb 0.70 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 2jsc h LEU 55 CO 0.02 0.28 0.47 -1.28 0.09 0.00 0.00 178.44 178.02 2jsc h SER 56 N 0.00 0.58 0.25 -0.43 0.87 -0.56 -1.92 113.55 112.33 2jsc h SER 56 Ca -0.00 0.09 -0.34 0.00 -1.23 0.00 0.00 61.79 60.31 2jsc h SER 56 Cb 0.74 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2jsc h SER 56 CO 0.04 0.24 -1.65 0.00 -0.53 0.00 0.00 176.83 174.93 2jsc h LEU 58 N 0.12 0.56 -0.45 0.00 5.85 -1.44 0.22 115.31 120.16 2jsc h LEU 58 Ca -0.31 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2jsc h LEU 58 Cb 2.11 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 2jsc h LEU 58 CO 0.21 0.24 -0.03 0.54 -0.34 0.00 0.00 178.44 179.06 2jsc n ARG 59 N -4.85 1.20 -0.07 1.25 1.74 -0.73 -1.53 116.66 113.67 2jsc n ARG 59 Ca 0.17 -0.45 -0.11 0.00 -0.77 0.00 0.00 57.85 56.70 2jsc n ARG 59 Cb 0.43 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.13 -0.20 0.22 -0.13 0.00 -0.39 -4.49 105.19 101.34 2jsc n GLY 60 Ca 0.20 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.22 0.54 0.22 0.00 0.00 -1.20 -4.78 105.19 98.75 2jsc n GLY 62 Ca -0.02 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 -7.74 0.99 3.38 -1.60 -3.43 115.31 106.92 2jsc h LEU 63 Ca -0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 2jsc h LEU 63 Cb 0.14 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.65 2jsc h LEU 63 CO 0.06 0.22 -0.60 -0.69 0.09 0.00 0.00 178.44 177.53 2jsc s VAL 64 N -3.68 0.05 0.00 1.22 1.01 -0.92 -0.67 120.40 117.41 2jsc s VAL 64 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2jsc s VAL 64 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 2jsc s VAL 64 CO 0.63 -0.22 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 2jsc s VAL 65 N -0.68 0.70 0.09 2.92 1.01 0.46 -4.51 120.40 120.39 2jsc s VAL 65 Ca -0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2jsc s VAL 65 Cb -0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2jsc s VAL 65 CO 0.00 0.11 0.32 0.00 0.00 0.00 0.00 175.10 175.54 2jsc s ALA 66 N -0.38 3.84 0.02 5.51 0.00 -1.26 -0.72 121.76 128.76 2jsc s ALA 66 Ca 0.02 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2jsc s ALA 66 Cb -0.04 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2jsc s ALA 66 CO -0.00 0.69 -0.09 0.95 0.00 0.00 0.00 175.76 177.31 2jsc s THR 67 N -1.54 0.69 -0.46 0.00 -4.23 -0.97 -4.99 115.64 104.14 2jsc s THR 67 Ca 0.37 -0.74 -0.19 0.00 -1.18 0.00 0.00 61.69 59.95 2jsc s THR 67 Cb -0.13 -0.65 0.04 0.00 1.34 0.00 0.00 72.50 73.10 2jsc s THR 67 CO 0.23 -0.06 0.55 -0.47 -0.54 0.00 0.00 174.62 174.32 2jsc s TYR 68 N -0.75 3.11 -1.58 3.99 5.04 -1.26 -1.30 117.35 124.61 2jsc s TYR 68 Ca -0.02 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 2jsc s TYR 68 Cb -0.06 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 38.99 2jsc s TYR 68 CO 0.00 -0.87 0.46 -0.85 -1.34 0.00 0.00 175.55 172.96 2jsc n GLU 69 N 5.93 0.59 0.00 4.97 -0.00 -0.76 -4.70 120.64 126.68 2jsc n GLU 69 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 2jsc n GLU 69 Cb 0.46 -1.12 0.00 0.00 -0.00 0.00 0.00 31.44 30.78 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 0.14 2.29 1.63 -1.84 0.00 -1.26 -4.81 105.19 101.35 2jsc n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 0.00 -2.68 1.61 0.63 -1.26 -5.13 116.66 108.95 2jsc n ARG 71 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 2jsc n ARG 71 Cb 0.00 -0.01 0.06 0.00 0.45 0.00 0.00 32.46 32.97 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2jsc s GLN 72 N -1.81 2.21 0.11 -0.14 -1.52 -1.26 -5.13 119.66 112.10 2jsc s GLN 72 Ca 0.00 -1.02 0.09 0.00 -1.95 0.00 0.00 55.36 52.49 2jsc s GLN 72 Cb 0.00 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 2jsc s GLN 72 CO 0.00 -0.98 -0.24 0.14 -0.25 0.00 0.00 175.29 173.96 2jsc s VAL 73 N -2.88 1.95 0.32 1.09 -7.23 -1.26 -1.83 120.40 110.56 2jsc s VAL 73 Ca 0.61 -1.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2jsc s VAL 73 Cb -0.08 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2jsc s VAL 73 CO 0.40 0.04 0.22 0.00 -0.31 0.00 0.00 175.10 175.46 2jsc s ARG 74 N -1.87 1.68 0.47 4.82 1.70 -0.42 -4.01 118.95 121.32 2jsc s ARG 74 Ca 0.10 -1.97 0.04 0.00 -0.47 0.00 0.00 55.73 53.43 2jsc s ARG 74 Cb -0.10 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 2jsc s ARG 74 CO 0.05 -0.56 0.11 0.71 -1.08 0.00 0.00 175.30 174.52 2jsc s TYR 75 N -3.54 2.14 -0.21 5.89 2.02 -1.26 -2.29 117.35 120.09 2jsc s TYR 75 Ca 0.38 -0.79 -0.28 0.00 -0.37 0.00 0.00 57.07 56.00 2jsc s TYR 75 Cb 0.03 -1.78 0.13 0.00 -0.40 0.00 0.00 41.96 39.95 2jsc s TYR 75 CO 0.22 0.16 1.03 0.00 -1.57 0.00 0.00 175.55 175.39 2jsc s ALA 76 N -2.76 -1.96 0.59 3.71 0.00 0.10 -4.22 121.76 117.21 2jsc s ALA 76 Ca 0.25 1.70 -0.19 0.00 0.00 0.00 0.00 51.96 53.71 2jsc s ALA 76 Cb 0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 2jsc s ALA 76 CO 0.14 -0.27 1.07 1.28 0.00 0.00 0.00 175.76 177.97 2jsc n LEU 77 N 1.31 4.19 0.13 0.00 4.77 -1.26 -0.41 117.00 125.73 2jsc n LEU 77 Ca -0.11 0.85 -0.01 0.00 -0.03 0.00 0.00 56.01 56.71 2jsc n LEU 77 Cb 0.57 -1.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.34 2jsc n LEU 77 CO 0.10 -1.54 0.45 0.00 -1.33 0.00 0.00 177.39 175.08 2jsc h ALA 78 N 0.70 0.79 -2.85 -1.18 0.00 -1.16 -3.43 119.26 112.13 2jsc h ALA 78 Ca -0.49 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 53.80 2jsc h ALA 78 Cb 1.35 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 2jsc h ALA 78 CO 0.52 0.80 0.04 0.34 0.00 0.00 0.00 179.25 180.96 2jsc s ASP 79 N -6.67 -0.36 0.57 0.00 2.15 -1.26 -4.99 116.67 106.10 2jsc s ASP 79 Ca 0.00 -0.20 0.45 0.00 0.43 0.00 0.00 52.55 53.23 2jsc s ASP 79 Cb 0.11 0.52 1.55 0.00 -0.30 0.00 0.00 42.92 44.80 2jsc s ASP 79 CO 0.76 -0.90 1.51 0.28 -0.17 0.00 0.00 175.17 176.65 2jsc h SER 80 N 2.22 0.00 0.79 -0.34 0.02 -1.98 -1.06 113.55 113.19 2jsc h SER 80 Ca -0.34 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 2jsc h SER 80 Cb 1.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.82 2jsc h SER 80 CO 0.43 0.00 -0.38 0.45 -1.14 0.00 0.00 176.83 176.19 2jsc h HIS 81 N 0.00 -0.99 -0.20 3.45 3.86 -2.00 -2.36 115.15 116.91 2jsc h HIS 81 Ca 0.83 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 60.01 2jsc h HIS 81 Cb 3.55 0.33 -0.01 0.00 1.06 0.00 0.00 27.41 32.34 2jsc h HIS 81 CO 0.00 -0.61 0.10 -0.07 0.86 0.00 0.00 177.93 178.20 2jsc h LEU 82 N -1.07 0.26 -0.49 2.43 3.38 -1.63 -2.92 115.31 115.27 2jsc h LEU 82 Ca -0.11 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2jsc h LEU 82 Cb 0.82 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2jsc h LEU 82 CO 0.18 0.31 0.05 0.00 0.09 0.00 0.00 178.44 179.07 2jsc h ALA 83 N 0.97 0.51 -0.02 1.53 0.00 -1.55 -0.86 119.26 119.83 2jsc h ALA 83 Ca 0.07 0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 2jsc h ALA 83 Cb 0.11 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2jsc h ALA 83 CO -0.01 -0.35 -0.94 0.07 0.00 0.00 0.00 179.25 178.01 2jsc h ARG 84 N 0.17 0.52 0.05 0.00 0.11 -1.33 0.11 114.38 114.01 2jsc h ARG 84 Ca 0.25 -0.54 -0.28 0.00 0.10 0.00 0.00 59.98 59.51 2jsc h ARG 84 Cb 0.35 0.15 0.02 0.00 1.11 0.00 0.00 29.97 31.60 2jsc h ARG 84 CO -0.37 1.17 -1.12 0.00 0.10 0.00 0.00 179.97 179.76 2jsc h ALA 85 N 0.65 0.10 -0.24 0.08 0.00 -1.45 -1.94 119.26 116.46 2jsc h ALA 85 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2jsc h ALA 85 Cb 1.58 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2jsc h ALA 85 CO 0.17 0.71 0.16 1.25 0.00 0.00 0.00 179.25 181.54 2jsc h LEU 86 N 0.33 0.27 -1.17 0.00 7.12 -1.22 -0.84 115.31 119.80 2jsc h LEU 86 Ca -0.15 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.86 2jsc h LEU 86 Cb 1.78 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.84 2jsc h LEU 86 CO 0.21 0.19 0.00 1.23 -0.13 0.00 0.00 178.44 179.95 2jsc h GLY 87 N 0.32 0.00 2.00 3.75 0.00 -0.72 -1.69 103.07 106.72 2jsc h GLY 87 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2jsc h GLY 87 CO -0.02 0.00 -0.02 1.05 0.00 0.00 0.00 176.54 177.55 2jsc h GLU 88 N 0.00 0.00 -4.59 4.80 4.11 -0.35 -3.48 114.58 115.07 2jsc h GLU 88 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2jsc h GLU 88 Cb 0.50 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.86 2jsc h GLU 88 CO 0.00 0.02 -0.46 -0.11 0.07 0.00 0.00 179.01 178.53 2jsc n LEU 89 N -3.12 -4.54 -1.34 3.06 7.94 -0.64 -4.86 117.00 113.51 2jsc n LEU 89 Ca 0.00 -0.39 -0.18 0.00 -1.11 0.00 0.00 56.01 54.34 2jsc n LEU 89 Cb 0.29 -2.32 -0.02 0.00 0.53 0.00 0.00 43.42 41.89 2jsc n LEU 89 CO 0.27 -0.08 0.20 0.52 -1.11 0.00 0.00 177.39 177.18 2jsc n VAL 90 N -2.42 0.00 0.61 1.96 0.31 -1.24 -4.35 118.33 113.20 2jsc n VAL 90 Ca -0.04 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.39 2jsc n VAL 90 Cb 0.56 -0.03 0.27 0.00 -0.91 0.00 0.00 33.84 33.74 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 0.58 2.15 -0.04 5.55 -0.06 -1.26 -3.98 117.38 120.31 2jsc n GLN 91 Ca 0.06 -1.75 0.00 0.00 -2.00 0.00 0.00 57.00 53.31 2jsc n GLN 91 Cb 0.02 -1.43 0.00 0.00 -4.06 0.00 0.00 30.24 24.76 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 0.94 0.27 -1.26 1.69 3.14 -1.26 -4.64 118.33 117.21 2jsc n VAL 92 Ca 0.18 -0.04 -0.09 0.00 -2.96 0.00 0.00 64.34 61.43 2jsc n VAL 92 Cb 0.45 -0.81 -0.04 0.00 -1.06 0.00 0.00 33.84 32.38 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 1.35 0.00 0.00 1.55 0.31 -1.26 -4.27 118.33 116.01 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 0.09 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 -1.01 0.00 -4.17 7.52 0.00 -1.26 -4.99 117.00 113.09 2jsc n LEU 94 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.66 2jsc n LEU 94 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.64 2jsc n LEU 94 CO 0.14 0.00 1.24 0.00 0.00 0.00 0.00 177.39 178.77 2jsc n ALA 95 N 1.35 0.52 -1.35 1.96 0.00 -1.26 -4.95 120.51 116.78 2jsc n ALA 95 Ca 0.00 -2.44 -0.35 0.00 0.00 0.00 0.00 53.44 50.65 2jsc n ALA 95 Cb 0.00 -3.50 0.10 0.00 0.00 0.00 0.00 19.45 16.05 2jsc n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jsc n VAL 96 N 8.27 3.04 0.00 0.00 0.31 -1.26 -4.84 118.33 123.85 2jsc n VAL 96 Ca 0.43 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2jsc n VAL 96 Cb 0.45 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2jsc n VAL 96 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2jsc n ASP 97 N -2.39 0.00 -4.50 4.52 5.75 -1.26 -4.81 116.55 113.85 2jsc n ASP 97 Ca 0.14 0.01 -0.41 0.00 -0.01 0.00 0.00 54.79 54.52 2jsc n ASP 97 Cb 0.49 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 2jsc n ASP 97 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2jsc n THR 98 N -1.00 -0.01 -3.84 2.12 -2.24 -1.26 -4.66 114.28 103.39 2jsc n THR 98 Ca 0.00 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 2jsc n THR 98 Cb 0.00 -1.53 -0.06 0.00 -2.10 0.00 0.00 70.33 66.64 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 9.96 6.43 0.00 3.42 2.15 -1.26 -5.10 116.67 132.28 2jsc s ASP 99 Ca 1.18 0.51 0.01 0.00 0.43 0.00 0.00 52.55 54.67 2jsc s ASP 99 Cb -0.80 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 39.73 2jsc s ASP 99 CO 0.41 0.37 -0.03 -1.58 -0.17 0.00 0.00 175.17 174.17 2jsc s GLN 100 N -1.20 0.22 0.54 4.34 2.00 -1.26 -5.06 119.66 119.23 2jsc s GLN 100 Ca 0.18 -0.18 0.25 0.00 -2.00 0.00 0.00 55.36 53.61 2jsc s GLN 100 Cb -0.13 -0.15 1.42 0.00 0.80 0.00 0.00 33.01 34.95 2jsc s GLN 100 CO 0.08 0.04 2.00 -1.00 -0.50 0.00 0.00 175.29 175.90 2jsc h PRO 101 N 5.82 0.00 0.00 1.67 0.13 -1.98 -3.47 132.00 134.18 2jsc h PRO 101 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2jsc h PRO 101 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jsc h PRO 101 CO 0.49 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 2jsc n VAL 103 N -0.07 -0.57 -0.45 0.00 0.31 -1.26 -0.82 118.33 115.47 2jsc n VAL 103 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 103 Cb 0.00 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 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 -1.60 0.00 -2.72 3.52 0.00 -1.26 -5.09 120.51 113.37 2jsc n ALA 104 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 2jsc n ALA 104 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 2jsc n ALA 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jsc s GLU 105 N -0.55 3.58 0.00 0.00 -6.30 -0.00 -5.18 118.70 110.25 2jsc s GLU 105 Ca 0.00 -0.18 0.00 0.00 -2.50 0.00 0.00 54.97 52.29 2jsc s GLU 105 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 34.13 31.27 2jsc s GLU 105 CO 0.00 0.46 0.00 -2.13 0.02 0.00 0.00 175.26 173.61