#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 0.49 0.00 8.10 -2.05 -1.47 115.31 120.38 2jsc h LEU 11 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 2jsc h LEU 11 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2jsc h LEU 11 CO 0.00 0.07 -0.24 0.00 -4.11 0.00 0.00 178.44 174.16 2jsc h ALA 12 N 1.93 -0.66 -0.87 0.17 0.00 -2.04 -2.97 119.26 114.83 2jsc h ALA 12 Ca -0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2jsc h ALA 12 Cb 0.34 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2jsc h ALA 12 CO 0.01 -0.72 0.56 -0.09 0.00 0.00 0.00 179.25 179.01 2jsc h ARG 13 N -0.96 0.58 0.43 0.00 2.43 -1.81 0.14 114.38 115.19 2jsc h ARG 13 Ca -0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2jsc h ARG 13 Cb 0.60 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2jsc h ARG 13 CO 0.11 0.39 -0.25 1.25 -1.51 0.00 0.00 179.97 179.95 2jsc h LEU 14 N 0.60 -0.63 -1.29 3.80 7.12 -1.32 -3.13 115.31 120.46 2jsc h LEU 14 Ca 0.44 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.48 2jsc h LEU 14 Cb 0.81 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2jsc h LEU 14 CO -0.19 -0.39 0.00 1.23 -0.13 0.00 0.00 178.44 178.96 2jsc h GLY 15 N -0.64 0.00 1.41 3.75 0.00 -1.31 -2.53 103.07 103.75 2jsc h GLY 15 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2jsc h GLY 15 CO 0.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.14 2jsc n ARG 16 N -2.96 0.16 0.00 4.80 5.12 0.44 -0.55 116.66 123.68 2jsc n ARG 16 Ca 0.01 0.15 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2jsc n ARG 16 Cb 0.30 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jsc n ALA 17 N -1.20 0.17 -0.01 7.54 0.00 -1.05 -4.83 120.51 121.12 2jsc n ALA 17 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2jsc n ALA 17 Cb 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.37 2jsc n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jsc h LEU 18 N 0.00 0.07 -7.26 0.00 3.38 -1.28 -3.43 115.31 106.79 2jsc h LEU 18 Ca 0.00 -0.15 -0.77 0.00 0.09 0.00 0.00 57.88 57.04 2jsc h LEU 18 Cb 0.15 -0.02 -0.22 0.00 0.09 0.00 0.00 40.66 40.65 2jsc h LEU 18 CO 0.00 1.14 1.11 0.00 0.09 0.00 0.00 178.44 180.78 2jsc n ALA 19 N -2.62 4.55 -3.63 1.53 0.00 0.29 -4.30 120.51 116.32 2jsc n ALA 19 Ca -0.19 -4.50 -0.12 0.00 0.00 0.00 0.00 53.44 48.64 2jsc n ALA 19 Cb 1.05 -2.72 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 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 1.06 -0.59 0.09 0.00 -1.08 -1.26 -4.85 116.67 110.04 2jsc s ASP 20 Ca 0.36 1.12 -0.33 0.00 -0.52 0.00 0.00 52.55 53.18 2jsc s ASP 20 Cb -0.01 1.13 -0.14 0.00 -1.46 0.00 0.00 42.92 42.44 2jsc s ASP 20 CO -0.00 -0.21 1.52 1.55 0.52 0.00 0.00 175.17 178.56 2jsc h PRO 21 N 4.51 -0.73 0.03 4.34 0.13 -1.88 -2.73 132.00 135.66 2jsc h PRO 21 Ca -0.28 0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 64.68 2jsc h PRO 21 Cb 1.17 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 2jsc h PRO 21 CO 0.09 -0.49 -1.02 1.15 -0.23 0.00 0.00 178.00 177.50 2jsc h THR 22 N -0.76 1.63 -0.15 1.56 2.02 -1.99 -3.35 112.91 111.88 2jsc h THR 22 Ca -0.02 -3.19 -0.12 0.00 0.77 0.00 0.00 66.41 63.86 2jsc h THR 22 Cb 0.74 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 2jsc h THR 22 CO -0.23 0.92 -0.41 0.03 0.37 0.00 0.00 175.52 176.19 2jsc h ARG 23 N 0.03 0.35 0.35 6.66 3.08 -1.84 0.92 114.38 123.92 2jsc h ARG 23 Ca -0.04 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2jsc h ARG 23 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 2jsc h ARG 23 CO 0.14 0.70 -0.28 0.00 -1.07 0.00 0.00 179.97 179.47 2jsc h ARG 25 N -0.63 0.16 0.76 0.00 3.08 -1.62 0.76 114.38 116.89 2jsc h ARG 25 Ca -0.03 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2jsc h ARG 25 Cb 0.55 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.57 2jsc h ARG 25 CO -0.01 0.11 -0.36 0.82 -1.07 0.00 0.00 179.97 179.46 2jsc h ILE 26 N 0.17 0.17 -0.61 2.04 2.04 -0.30 -1.61 117.51 119.40 2jsc h ILE 26 Ca 0.53 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 66.31 2jsc h ILE 26 Cb 1.05 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2jsc h ILE 26 CO -0.68 0.01 0.31 -0.07 0.00 0.00 0.00 178.15 177.72 2jsc h LEU 27 N -1.13 0.43 -0.08 1.44 3.38 -0.14 0.10 115.31 119.31 2jsc h LEU 27 Ca -0.10 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 2jsc h LEU 27 Cb 0.80 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2jsc h LEU 27 CO 0.17 0.27 -0.90 1.62 0.09 0.00 0.00 178.44 179.69 2jsc h VAL 28 N 0.57 1.59 0.12 1.22 3.04 -0.94 -2.32 116.25 119.54 2jsc h VAL 28 Ca 0.28 -3.15 -0.29 0.00 -1.01 0.00 0.00 66.70 62.54 2jsc h VAL 28 Cb 0.23 2.73 -0.00 0.00 -2.01 0.00 0.00 31.29 32.23 2jsc h VAL 28 CO -0.21 0.88 -1.35 0.00 -1.01 0.00 0.00 177.57 175.88 2jsc h ALA 29 N 1.10 0.17 -0.12 3.17 0.00 -1.08 -3.29 119.26 119.22 2jsc h ALA 29 Ca -0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 54.91 53.84 2jsc h ALA 29 Cb 1.65 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2jsc h ALA 29 CO 0.12 1.05 -0.31 1.25 0.00 0.00 0.00 179.25 181.35 2jsc h LEU 30 N 0.07 0.23 -0.96 0.00 5.85 -0.82 -0.67 115.31 119.01 2jsc h LEU 30 Ca -0.17 -0.08 0.28 0.00 0.84 0.00 0.00 57.88 58.75 2jsc h LEU 30 Cb 1.99 -0.06 -0.17 0.00 0.37 0.00 0.00 40.66 42.78 2jsc h LEU 30 CO 0.19 0.54 0.14 0.25 -0.34 0.00 0.00 178.44 179.21 2jsc h LEU 31 N 0.20 -0.27 0.00 2.25 6.46 -1.48 0.83 115.31 123.30 2jsc h LEU 31 Ca 0.03 0.26 -0.23 0.00 -0.12 0.00 0.00 57.88 57.81 2jsc h LEU 31 Cb 0.66 0.41 -0.04 0.00 -0.73 0.00 0.00 40.66 40.95 2jsc h LEU 31 CO 0.05 -0.32 -2.23 -0.67 -0.62 0.00 0.00 178.44 174.65 2jsc n ASP 32 N -5.40 0.01 -0.09 1.25 2.03 -1.24 -4.71 116.55 108.40 2jsc n ASP 32 Ca 0.24 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.70 2jsc n ASP 32 Cb 0.80 1.36 0.71 0.00 -0.72 0.00 0.00 41.12 43.27 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 1.56 -0.97 1.13 0.27 0.00 0.12 -4.82 105.19 102.49 2jsc n GLY 33 Ca -0.22 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.96 0.00 -0.08 1.61 0.24 -0.22 -4.40 118.33 114.52 2jsc n VAL 34 Ca 0.17 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.31 2jsc n VAL 34 Cb 0.24 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.36 -0.48 0.14 0.00 1.13 -1.26 -4.16 117.35 110.36 2jsc s TYR 36 Ca -0.23 0.38 -0.34 0.00 -1.41 0.00 0.00 57.07 55.48 2jsc s TYR 36 Cb 0.08 0.45 -0.13 0.00 -1.10 0.00 0.00 41.96 41.26 2jsc s TYR 36 CO 0.29 -0.76 1.63 -0.35 -2.51 0.00 0.00 175.55 173.86 2jsc n PRO 37 N -0.05 2.23 -0.63 -3.49 -0.04 -1.25 -1.10 135.00 130.66 2jsc n PRO 37 Ca -0.17 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2jsc n PRO 37 Cb 0.63 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.59 1.69 0.37 0.55 0.00 -1.26 -4.89 105.19 105.25 2jsc n GLY 38 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 2.60 0.68 -0.62 1.61 -0.00 -1.49 -1.06 115.11 116.83 2jsc h GLN 39 Ca 0.00 -0.04 0.18 0.00 -0.00 0.00 0.00 58.65 58.79 2jsc h GLN 39 Cb 0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.48 27.30 2jsc h GLN 39 CO 0.00 0.45 0.48 -0.07 -0.00 0.00 0.00 178.83 179.69 2jsc h LEU 40 N 0.70 0.00 -1.74 0.06 3.38 -1.90 -1.97 115.31 113.84 2jsc h LEU 40 Ca 0.45 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.43 2jsc h LEU 40 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2jsc h LEU 40 CO -0.21 0.00 0.19 0.00 0.09 0.00 0.00 178.44 178.50 2jsc h ALA 41 N 1.62 1.83 0.03 1.53 0.00 -1.38 -0.09 119.26 122.80 2jsc h ALA 41 Ca 0.29 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2jsc h ALA 41 Cb 1.25 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jsc h ALA 41 CO -0.00 0.15 -0.50 0.00 0.00 0.00 0.00 179.25 178.90 2jsc h ALA 42 N 1.83 0.03 -0.36 0.00 0.00 -1.53 -0.75 119.26 118.48 2jsc h ALA 42 Ca 0.11 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2jsc h ALA 42 Cb -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jsc h ALA 42 CO -0.02 0.26 0.24 0.45 0.00 0.00 0.00 179.25 180.17 2jsc h HIS 43 N -0.32 0.33 0.00 0.00 -0.00 -1.46 -3.24 115.15 110.45 2jsc h HIS 43 Ca -0.07 0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.08 2jsc h HIS 43 Cb 1.26 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 28.52 2jsc h HIS 43 CO 0.17 0.19 -2.12 1.28 -0.00 0.00 0.00 177.93 177.46 2jsc n LEU 44 N -4.48 0.00 0.00 2.43 4.77 -0.09 -5.00 117.00 114.62 2jsc n LEU 44 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2jsc n LEU 44 Cb 0.18 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2jsc n LEU 44 CO 0.35 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2jsc n GLY 45 N 1.74 0.70 3.91 -0.72 0.00 -0.29 -5.03 105.19 105.50 2jsc n GLY 45 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 4.36 0.70 0.99 1.02 -1.23 -5.02 118.68 119.51 2jsc s LEU 46 Ca 0.00 0.36 -0.16 0.00 0.02 0.00 0.00 54.13 54.34 2jsc s LEU 46 Cb 0.00 -2.77 0.01 0.00 0.02 0.00 0.00 46.19 43.45 2jsc s LEU 46 CO 0.00 0.22 1.21 0.35 0.02 0.00 0.00 176.35 178.15 2jsc n THR 47 N 0.70 3.87 0.34 5.49 -2.24 -1.26 -4.34 114.28 116.84 2jsc n THR 47 Ca -0.09 -0.41 0.22 0.00 -2.27 0.00 0.00 64.05 61.51 2jsc n THR 47 Cb 0.52 -1.35 1.20 0.00 -2.10 0.00 0.00 70.33 68.60 2jsc n THR 47 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2jsc h ARG 48 N 0.04 0.00 0.17 -0.78 0.11 -1.92 0.55 114.38 112.55 2jsc h ARG 48 Ca -0.49 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 2jsc h ARG 48 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2jsc h ARG 48 CO 0.50 0.00 -0.08 0.77 0.10 0.00 0.00 179.97 181.26 2jsc h SER 49 N 0.00 -0.20 0.08 0.08 0.02 -1.99 -2.87 113.55 108.68 2jsc h SER 49 Ca -0.00 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2jsc h SER 49 Cb 0.01 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 2jsc h SER 49 CO 0.00 0.36 -0.37 -1.13 -1.14 0.00 0.00 176.83 174.55 2jsc h ASN 50 N -0.91 -1.09 0.46 3.07 -0.73 -1.70 -2.36 115.58 112.33 2jsc h ASN 50 Ca -0.02 0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 2jsc h ASN 50 Cb 0.50 0.42 -0.00 0.00 0.27 0.00 0.00 38.32 39.50 2jsc h ASN 50 CO 0.04 -0.44 -0.13 0.58 -0.37 0.00 0.00 177.43 177.10 2jsc h VAL 51 N -0.58 0.55 -0.21 2.57 2.07 -1.08 -2.82 116.25 116.75 2jsc h VAL 51 Ca 0.04 -0.62 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 2jsc h VAL 51 Cb 0.62 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2jsc h VAL 51 CO -0.24 0.13 -0.53 0.28 0.02 0.00 0.00 177.57 177.23 2jsc h SER 52 N 0.00 0.67 -0.32 0.57 0.02 -1.19 -0.85 113.55 112.45 2jsc h SER 52 Ca -0.00 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 60.67 2jsc h SER 52 Cb 0.40 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 2jsc h SER 52 CO 0.02 1.07 -0.11 0.78 -1.14 0.00 0.00 176.83 177.45 2jsc h ASN 53 N 0.47 -0.38 -0.39 3.07 2.35 -1.28 -0.25 115.58 119.16 2jsc h ASN 53 Ca 0.01 0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2jsc h ASN 53 Cb 1.08 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.66 2jsc h ASN 53 CO 0.10 -0.14 0.08 0.45 -1.65 0.00 0.00 177.43 176.27 2jsc h HIS 54 N -0.04 0.74 -0.03 1.19 3.86 -1.49 -2.82 115.15 116.55 2jsc h HIS 54 Ca 0.16 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 2jsc h HIS 54 Cb 0.28 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2jsc h HIS 54 CO -0.32 0.65 -0.63 -0.07 0.86 0.00 0.00 177.93 178.41 2jsc h LEU 55 N 0.69 0.15 -0.70 2.43 3.38 -0.73 -3.23 115.31 117.29 2jsc h LEU 55 Ca 0.15 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.18 2jsc h LEU 55 Cb 0.31 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 2jsc h LEU 55 CO 0.00 0.74 0.10 -1.28 0.09 0.00 0.00 178.44 178.10 2jsc h SER 56 N 0.09 -0.12 0.52 -0.43 0.87 -0.78 -0.65 113.55 113.05 2jsc h SER 56 Ca -0.01 0.15 -0.27 0.00 -1.23 0.00 0.00 61.79 60.44 2jsc h SER 56 Cb 1.14 0.24 0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2jsc h SER 56 CO 0.09 -0.08 -1.18 0.00 -0.53 0.00 0.00 176.83 175.13 2jsc h LEU 58 N 0.12 0.97 -0.25 0.00 5.85 -1.43 -0.22 115.31 120.35 2jsc h LEU 58 Ca -0.13 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.39 2jsc h LEU 58 Cb 1.89 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 2jsc h LEU 58 CO 0.20 0.69 -0.87 0.03 -0.34 0.00 0.00 178.44 178.14 2jsc h ARG 59 N 1.13 0.00 0.12 1.25 3.08 -1.20 -0.72 114.38 118.05 2jsc h ARG 59 Ca 0.32 -0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.01 2jsc h ARG 59 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2jsc h ARG 59 CO -0.08 0.87 -1.97 0.41 -1.07 0.00 0.00 179.97 178.13 2jsc n GLY 60 N 0.99 -0.56 0.00 0.04 0.00 -0.97 -3.72 105.19 100.96 2jsc n GLY 60 Ca -0.00 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.24 0.77 0.13 0.00 0.00 -1.23 -4.89 105.19 100.20 2jsc n GLY 62 Ca 0.04 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 -8.50 0.99 3.38 -1.46 -3.43 115.31 106.29 2jsc h LEU 63 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2jsc h LEU 63 Cb 0.03 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.56 2jsc h LEU 63 CO 0.00 0.31 -0.81 0.68 0.09 0.00 0.00 178.44 178.71 2jsc s VAL 64 N -3.10 1.38 0.03 1.22 -7.23 -0.45 -1.15 120.40 111.10 2jsc s VAL 64 Ca 0.01 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 2jsc s VAL 64 Cb 0.08 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 2jsc s VAL 64 CO 0.77 -0.07 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.74 2jsc s VAL 65 N -1.09 0.37 0.81 1.32 1.01 0.60 -4.24 120.40 119.18 2jsc s VAL 65 Ca 0.03 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2jsc s VAL 65 Cb -0.09 -0.45 0.08 0.00 0.00 0.00 0.00 36.38 35.91 2jsc s VAL 65 CO 0.03 -0.37 1.10 0.00 0.00 0.00 0.00 175.10 175.85 2jsc s ALA 66 N -1.27 2.06 0.19 5.51 0.00 -1.26 -0.80 121.76 126.19 2jsc s ALA 66 Ca -0.11 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 2jsc s ALA 66 Cb -0.09 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.81 2jsc s ALA 66 CO -0.00 -1.96 0.81 0.99 0.00 0.00 0.00 175.76 175.60 2jsc s THR 67 N -2.89 0.00 -0.26 0.00 2.01 -0.76 -4.85 115.64 108.89 2jsc s THR 67 Ca 0.62 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2jsc s THR 67 Cb -0.18 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2jsc s THR 67 CO 0.56 0.00 0.15 -0.47 -0.69 0.00 0.00 174.62 174.17 2jsc s TYR 68 N -3.58 3.20 -0.82 4.92 6.14 -1.26 -0.34 117.35 125.61 2jsc s TYR 68 Ca 0.10 -0.00 0.27 0.00 0.64 0.00 0.00 57.07 58.08 2jsc s TYR 68 Cb -0.03 -2.32 0.93 0.00 0.42 0.00 0.00 41.96 40.96 2jsc s TYR 68 CO 0.01 -0.16 1.81 -0.85 0.64 0.00 0.00 175.55 177.00 2jsc n GLU 69 N 4.84 0.18 0.00 4.97 -0.00 0.34 -4.93 120.64 126.04 2jsc n GLU 69 Ca -0.15 0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2jsc n GLU 69 Cb 0.52 -1.71 0.00 0.00 -0.00 0.00 0.00 31.44 30.25 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 1.37 1.24 0.00 -1.84 0.00 -1.26 -4.89 105.19 99.82 2jsc n GLY 70 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 2.67 -3.80 1.61 0.63 -1.26 -5.11 116.66 111.40 2jsc n ARG 71 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2jsc n ARG 71 Cb 0.00 -0.22 -0.06 0.00 0.45 0.00 0.00 32.46 32.62 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2jsc s GLN 72 N -0.40 0.91 0.28 -0.14 2.00 -1.26 -5.16 119.66 115.89 2jsc s GLN 72 Ca 0.00 -0.89 -0.22 0.00 -2.00 0.00 0.00 55.36 52.24 2jsc s GLN 72 Cb 0.00 0.38 -0.09 0.00 0.80 0.00 0.00 33.01 34.10 2jsc s GLN 72 CO 0.00 -0.31 0.83 0.14 -0.50 0.00 0.00 175.29 175.45 2jsc s VAL 73 N -3.85 4.41 0.23 1.34 -7.23 -1.26 -0.50 120.40 113.54 2jsc s VAL 73 Ca 0.04 1.52 0.03 0.00 -1.81 0.00 0.00 61.98 61.77 2jsc s VAL 73 Cb 0.04 -3.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 2jsc s VAL 73 CO -0.11 0.13 -0.00 0.00 -0.31 0.00 0.00 175.10 174.81 2jsc s ARG 74 N -2.12 1.34 0.06 4.82 1.70 0.53 -3.95 118.95 121.33 2jsc s ARG 74 Ca 0.48 -1.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.10 2jsc s ARG 74 Cb -0.17 -0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 33.56 2jsc s ARG 74 CO 0.22 -0.10 0.02 0.71 -1.08 0.00 0.00 175.30 175.07 2jsc s TYR 75 N -3.42 3.06 0.06 5.89 2.02 -1.26 -1.83 117.35 121.87 2jsc s TYR 75 Ca 0.28 0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.91 2jsc s TYR 75 Cb 0.06 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 2jsc s TYR 75 CO 0.09 0.49 0.22 0.00 -1.57 0.00 0.00 175.55 174.77 2jsc s ALA 76 N -1.27 -0.39 0.46 3.71 0.00 0.02 -4.38 121.76 119.90 2jsc s ALA 76 Ca 0.25 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 2jsc s ALA 76 Cb -0.12 0.38 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 2jsc s ALA 76 CO 0.17 -0.44 1.04 -0.11 0.00 0.00 0.00 175.76 176.43 2jsc n LEU 77 N 0.35 3.08 0.28 0.00 7.94 -1.26 -0.29 117.00 127.10 2jsc n LEU 77 Ca -0.17 1.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.90 2jsc n LEU 77 Cb 0.60 -1.39 0.75 0.00 0.53 0.00 0.00 43.42 43.92 2jsc n LEU 77 CO 0.22 -1.42 1.01 0.00 -1.11 0.00 0.00 177.39 176.10 2jsc h ALA 78 N 1.41 1.00 -2.10 1.96 0.00 -1.40 -3.42 119.26 116.71 2jsc h ALA 78 Ca -0.46 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 78 Cb 1.34 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 2jsc h ALA 78 CO 0.56 0.01 0.57 0.34 0.00 0.00 0.00 179.25 180.73 2jsc s ASP 79 N -5.64 -0.25 0.53 0.00 2.15 -1.26 -4.96 116.67 107.25 2jsc s ASP 79 Ca 0.00 -0.14 0.31 0.00 0.43 0.00 0.00 52.55 53.15 2jsc s ASP 79 Cb 0.09 0.36 1.46 0.00 -0.30 0.00 0.00 42.92 44.54 2jsc s ASP 79 CO 0.53 -0.62 1.90 0.28 -0.17 0.00 0.00 175.17 177.09 2jsc h SER 80 N 2.00 0.01 0.18 -0.34 0.02 -1.98 -2.09 113.55 111.35 2jsc h SER 80 Ca -0.22 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2jsc h SER 80 Cb 1.22 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 2jsc h SER 80 CO 0.28 0.00 -0.45 0.45 -1.14 0.00 0.00 176.83 175.97 2jsc h HIS 81 N 0.01 -1.27 -0.43 3.45 3.86 -1.99 0.75 115.15 119.53 2jsc h HIS 81 Ca 0.41 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.61 2jsc h HIS 81 Cb 1.61 0.53 -0.02 0.00 1.06 0.00 0.00 27.41 30.60 2jsc h HIS 81 CO -0.00 -0.55 0.13 -0.07 0.86 0.00 0.00 177.93 178.29 2jsc h LEU 82 N -0.72 0.64 -1.57 2.43 3.38 -1.80 -2.78 115.31 114.88 2jsc h LEU 82 Ca 0.00 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2jsc h LEU 82 Cb 0.72 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2jsc h LEU 82 CO -0.22 0.68 0.40 0.00 0.09 0.00 0.00 178.44 179.40 2jsc h ALA 83 N 0.98 1.91 0.23 1.53 0.00 -1.23 0.48 119.26 123.16 2jsc h ALA 83 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jsc h ALA 83 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jsc h ALA 83 CO -0.00 -0.03 -0.11 -0.09 0.00 0.00 0.00 179.25 179.01 2jsc h ARG 84 N 0.50 -0.29 0.00 0.00 2.43 -0.73 0.11 114.38 116.39 2jsc h ARG 84 Ca 0.27 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2jsc h ARG 84 Cb 0.42 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2jsc h ARG 84 CO -0.08 -0.03 -0.12 0.00 -1.51 0.00 0.00 179.97 178.23 2jsc h ALA 85 N -0.79 1.09 -0.12 2.80 0.00 -1.20 0.35 119.26 121.40 2jsc h ALA 85 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2jsc h ALA 85 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jsc h ALA 85 CO 0.05 0.15 -0.26 1.25 0.00 0.00 0.00 179.25 180.44 2jsc h LEU 86 N 0.00 0.44 0.13 0.00 5.85 -1.03 -3.32 115.31 117.38 2jsc h LEU 86 Ca -0.00 -0.57 -0.31 0.00 0.84 0.00 0.00 57.88 57.84 2jsc h LEU 86 Cb 0.51 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2jsc h LEU 86 CO 0.02 0.93 -1.56 1.23 -0.34 0.00 0.00 178.44 178.71 2jsc h GLY 87 N -0.03 0.30 1.55 3.75 0.00 0.10 -3.29 103.07 105.46 2jsc h GLY 87 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2jsc h GLY 87 CO 0.06 0.68 0.00 -1.84 0.00 0.00 0.00 176.54 175.44 2jsc n GLU 88 N -3.46 0.40 -2.68 4.80 0.28 0.11 -4.99 120.64 115.10 2jsc n GLU 88 Ca -0.18 0.03 -0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2jsc n GLU 88 Cb 1.05 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.42 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2jsc n LEU 89 N -1.28 -7.83 -4.27 -1.84 7.94 -1.24 -4.95 117.00 103.53 2jsc n LEU 89 Ca 0.13 1.35 -0.39 0.00 -1.11 0.00 0.00 56.01 55.99 2jsc n LEU 89 Cb 0.21 -3.28 0.02 0.00 0.53 0.00 0.00 43.42 40.90 2jsc n LEU 89 CO 0.21 -3.08 -0.56 1.33 -1.11 0.00 0.00 177.39 174.18 2jsc n VAL 90 N 0.63 0.33 1.20 1.96 0.24 -1.25 -4.77 118.33 116.67 2jsc n VAL 90 Ca 0.01 -0.50 0.07 0.00 -2.04 0.00 0.00 64.34 61.88 2jsc n VAL 90 Cb 0.02 -0.10 0.40 0.00 -1.47 0.00 0.00 33.84 32.70 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 1.30 0.60 -0.09 7.34 1.13 -1.26 -4.07 117.38 122.33 2jsc n GLN 91 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2jsc n GLN 91 Cb 0.47 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.47 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 -0.85 0.50 -1.58 5.09 3.14 -1.26 -4.70 118.33 118.66 2jsc n VAL 92 Ca 0.10 -0.09 -0.20 0.00 -2.96 0.00 0.00 64.34 61.20 2jsc n VAL 92 Cb 0.05 -0.93 -0.09 0.00 -1.06 0.00 0.00 33.84 31.81 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 1.38 -0.00 -0.29 1.55 0.31 -1.26 -3.79 118.33 116.23 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 0.16 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 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 -2.26 -0.51 -4.54 7.52 0.00 -1.26 -4.95 117.00 111.00 2jsc n LEU 94 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.66 2jsc n LEU 94 Cb 0.65 -0.25 -0.10 0.00 0.00 0.00 0.00 43.42 43.72 2jsc n LEU 94 CO 0.30 0.00 1.38 0.00 0.00 0.00 0.00 177.39 179.07 2jsc n ALA 95 N 1.79 0.49 -1.83 1.96 0.00 -1.25 -4.94 120.51 116.73 2jsc n ALA 95 Ca 0.00 -1.31 -0.41 0.00 0.00 0.00 0.00 53.44 51.71 2jsc n ALA 95 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 19.45 16.35 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 11.90 2.42 -2.00 0.00 1.01 -1.26 -4.91 120.40 127.55 2jsc s VAL 96 Ca 0.99 0.36 0.02 0.00 0.00 0.00 0.00 61.98 63.35 2jsc s VAL 96 Cb -0.27 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 32.93 2jsc s VAL 96 CO 0.18 0.06 0.35 0.47 0.00 0.00 0.00 175.10 176.16 2jsc n ASP 97 N 2.10 0.00 -4.77 3.32 8.00 -1.26 -4.83 116.55 119.12 2jsc n ASP 97 Ca 0.07 -0.21 -0.41 0.00 0.71 0.00 0.00 54.79 54.95 2jsc n ASP 97 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.00 2.07 0.26 -3.53 -4.23 -1.26 -4.53 115.64 102.42 2jsc s THR 98 Ca 0.02 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 2jsc s THR 98 Cb 0.01 -3.04 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 2jsc s THR 98 CO 0.02 0.01 0.52 -0.62 -0.54 0.00 0.00 174.62 174.01 2jsc s ASP 99 N 0.10 6.47 -0.28 3.99 2.15 -1.26 -4.83 116.67 123.01 2jsc s ASP 99 Ca 0.57 0.69 -0.22 0.00 0.43 0.00 0.00 52.55 54.02 2jsc s ASP 99 Cb -0.47 -2.13 0.08 0.00 -0.30 0.00 0.00 42.92 40.10 2jsc s ASP 99 CO 0.57 -0.14 0.75 -1.58 -0.17 0.00 0.00 175.17 174.60 2jsc s GLN 100 N -3.34 0.74 1.06 4.34 2.00 -1.26 -5.16 119.66 118.04 2jsc s GLN 100 Ca 0.43 1.03 -0.12 0.00 -2.00 0.00 0.00 55.36 54.70 2jsc s GLN 100 Cb -0.11 0.29 0.23 0.00 0.80 0.00 0.00 33.01 34.22 2jsc s GLN 100 CO 0.28 -0.11 1.08 -1.25 -0.50 0.00 0.00 175.29 174.79 2jsc s PRO 101 N 0.83 -0.15 0.00 1.67 0.04 -1.26 -5.06 135.00 131.07 2jsc s PRO 101 Ca -0.03 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2jsc s PRO 101 Cb -0.05 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2jsc s PRO 101 CO -0.07 -3.30 0.00 0.00 0.04 0.00 0.00 177.00 173.66 2jsc n VAL 103 N 0.00 0.00 0.00 0.00 0.31 -1.26 -3.77 118.33 113.61 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 -1.03 3.52 0.00 -1.26 -5.15 120.51 116.58 2jsc n ALA 104 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2jsc n ALA 104 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 2jsc n ALA 104 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jsc n GLU 105 N 0.00 -2.53 0.00 0.00 -0.00 -1.25 -5.23 120.64 111.63 2jsc n GLU 105 Ca 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 57.16 55.95 2jsc n GLU 105 Cb 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 31.44 30.30 2jsc n GLU 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00