#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 -1.36 -1.38 0.00 4.07 -2.02 -0.58 115.31 114.04 2jsc h LEU 11 Ca 0.00 0.21 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 2jsc h LEU 11 Cb 0.00 0.60 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 2jsc h LEU 11 CO 0.00 -0.36 0.13 0.00 -1.08 0.00 0.00 178.44 177.12 2jsc h ALA 12 N 0.46 1.51 -0.30 1.53 0.00 -2.06 -2.98 119.26 117.42 2jsc h ALA 12 Ca 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2jsc h ALA 12 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jsc h ALA 12 CO -0.56 0.37 0.20 -0.09 0.00 0.00 0.00 179.25 179.18 2jsc h ARG 13 N 0.54 0.18 -0.13 0.00 9.65 -1.55 -2.10 114.38 120.97 2jsc h ARG 13 Ca 0.13 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.04 2jsc h ARG 13 Cb 0.15 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.63 2jsc h ARG 13 CO -0.01 0.12 -0.46 1.25 2.80 0.00 0.00 179.97 183.67 2jsc h LEU 14 N 0.18 -1.46 -1.40 3.80 7.12 -1.49 -0.35 115.31 121.72 2jsc h LEU 14 Ca 0.13 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 2jsc h LEU 14 Cb 0.29 0.58 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 2jsc h LEU 14 CO -0.02 -0.45 0.23 1.23 -0.13 0.00 0.00 178.44 179.30 2jsc h GLY 15 N -0.53 0.69 0.66 3.75 0.00 -1.55 0.37 103.07 106.46 2jsc h GLY 15 Ca 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2jsc h GLY 15 CO -0.41 0.29 -0.01 -0.09 0.00 0.00 0.00 176.54 176.32 2jsc h ARG 16 N 0.65 -0.04 0.00 4.80 1.12 -1.54 -1.22 114.38 118.15 2jsc h ARG 16 Ca 0.16 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.01 2jsc h ARG 16 Cb 0.05 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.02 2jsc h ARG 16 CO -0.02 0.30 -0.12 0.00 -3.11 0.00 0.00 179.97 177.02 2jsc h ALA 17 N 0.58 1.10 0.00 2.80 0.00 -0.12 -1.42 119.26 122.20 2jsc h ALA 17 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2jsc h ALA 17 Cb 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jsc h ALA 17 CO 0.01 0.15 -1.18 -0.07 0.00 0.00 0.00 179.25 178.16 2jsc h LEU 18 N 0.00 0.00 -3.40 0.00 4.07 -0.98 -3.32 115.31 111.68 2jsc h LEU 18 Ca -0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 2jsc h LEU 18 Cb 0.49 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.02 2jsc h LEU 18 CO 0.02 0.48 0.47 0.00 -1.08 0.00 0.00 178.44 178.32 2jsc n ALA 19 N -2.33 4.76 -2.03 1.53 0.00 -0.46 -4.54 120.51 117.43 2jsc n ALA 19 Ca -0.06 -2.02 -0.25 0.00 0.00 0.00 0.00 53.44 51.11 2jsc n ALA 19 Cb 0.78 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.93 2jsc n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jsc s ASP 20 N -0.55 5.30 0.00 0.00 1.11 -0.61 -4.92 116.67 117.00 2jsc s ASP 20 Ca 0.39 0.48 0.00 0.00 0.18 0.00 0.00 52.55 53.61 2jsc s ASP 20 Cb 0.33 -1.36 0.00 0.00 1.07 0.00 0.00 42.92 42.95 2jsc s ASP 20 CO 0.06 -1.23 0.00 -0.81 1.18 0.00 0.00 175.17 174.37 2jsc n PRO 21 N -2.62 0.00 0.15 8.23 -0.04 -1.26 -3.75 135.00 135.71 2jsc n PRO 21 Ca 0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2jsc n PRO 21 Cb 0.59 0.00 0.55 0.00 -0.04 0.00 0.00 33.50 34.60 2jsc n PRO 21 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jsc n THR 22 N 0.00 0.96 -0.14 0.52 -1.04 -1.26 -1.39 114.28 111.93 2jsc n THR 22 Ca 0.00 0.54 -0.06 0.00 -2.04 0.00 0.00 64.05 62.49 2jsc n THR 22 Cb 0.00 -1.52 0.12 0.00 -1.82 0.00 0.00 70.33 67.11 2jsc n THR 22 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2jsc h ARG 23 N 0.00 0.87 -0.68 -2.82 2.43 -1.89 0.15 114.38 112.44 2jsc h ARG 23 Ca 0.00 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 2jsc h ARG 23 Cb 0.14 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2jsc h ARG 23 CO 0.00 0.88 0.14 0.00 -1.51 0.00 0.00 179.97 179.48 2jsc h ARG 25 N 1.05 -0.18 -0.33 0.00 2.47 -1.44 -0.04 114.38 115.90 2jsc h ARG 25 Ca 0.21 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 59.00 2jsc h ARG 25 Cb 0.41 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.69 2jsc h ARG 25 CO 0.01 -0.12 -0.44 0.82 0.56 0.00 0.00 179.97 180.80 2jsc h ILE 26 N -0.19 0.11 0.04 2.04 1.08 -0.61 -0.27 117.51 119.72 2jsc h ILE 26 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2jsc h ILE 26 Cb 0.15 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.01 2jsc h ILE 26 CO 0.02 0.00 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.39 2jsc h LEU 27 N -0.38 -0.04 -0.90 1.44 3.38 -1.03 0.22 115.31 117.99 2jsc h LEU 27 Ca 0.12 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2jsc h LEU 27 Cb 0.60 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2jsc h LEU 27 CO -0.53 0.01 -0.43 1.62 0.09 0.00 0.00 178.44 179.20 2jsc h VAL 28 N -0.09 1.02 0.00 1.22 3.04 -0.88 -2.45 116.25 118.10 2jsc h VAL 28 Ca -0.01 -1.65 -0.15 0.00 -1.01 0.00 0.00 66.70 63.89 2jsc h VAL 28 Cb 0.08 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 2jsc h VAL 28 CO 0.01 0.42 -0.97 0.00 -1.01 0.00 0.00 177.57 176.02 2jsc h ALA 29 N 1.57 0.63 -0.66 3.17 0.00 -1.00 -3.31 119.26 119.66 2jsc h ALA 29 Ca -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2jsc h ALA 29 Cb 0.94 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2jsc h ALA 29 CO 0.06 0.87 0.27 -0.07 0.00 0.00 0.00 179.25 180.37 2jsc h LEU 30 N 0.00 0.92 -0.99 0.00 3.38 -0.71 -2.13 115.31 115.78 2jsc h LEU 30 Ca -0.08 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 57.90 2jsc h LEU 30 Cb 1.54 -0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.88 2jsc h LEU 30 CO 0.07 0.84 -0.31 0.25 0.09 0.00 0.00 178.44 179.37 2jsc h LEU 31 N 0.94 -1.16 0.00 1.67 6.46 -1.53 0.15 115.31 121.84 2jsc h LEU 31 Ca 0.22 0.30 0.00 0.00 -0.12 0.00 0.00 57.88 58.29 2jsc h LEU 31 Cb 0.21 0.68 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2jsc h LEU 31 CO -0.02 -0.31 -1.43 -0.67 -0.62 0.00 0.00 178.44 175.39 2jsc n ASP 32 N -5.56 0.46 -0.01 1.25 2.03 -1.25 -4.65 116.55 108.82 2jsc n ASP 32 Ca 0.13 -0.28 -0.16 0.00 0.52 0.00 0.00 54.79 55.00 2jsc n ASP 32 Cb 0.45 1.34 -0.12 0.00 -0.72 0.00 0.00 41.12 42.07 2jsc n ASP 32 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2jsc h GLY 33 N 4.39 0.23 -1.23 0.27 0.00 -0.27 -3.47 103.07 103.00 2jsc h GLY 33 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2jsc h GLY 33 CO 0.00 0.40 0.00 3.33 0.00 0.00 0.00 176.54 180.27 2jsc n VAL 34 N -4.41 0.00 0.03 4.60 0.24 0.31 -4.67 118.33 114.43 2jsc n VAL 34 Ca -0.11 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.19 2jsc n VAL 34 Cb 0.58 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 -2.06 -0.18 0.20 0.00 2.02 -1.26 -3.67 117.35 112.40 2jsc s TYR 36 Ca -0.02 0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.87 2jsc s TYR 36 Cb 0.00 0.09 0.23 0.00 -0.40 0.00 0.00 41.96 41.88 2jsc s TYR 36 CO 0.03 -0.35 1.77 -1.00 -1.57 0.00 0.00 175.55 174.43 2jsc h PRO 37 N 4.12 0.48 0.00 -1.71 0.13 -1.88 -1.67 132.00 131.47 2jsc h PRO 37 Ca -0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2jsc h PRO 37 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jsc h PRO 37 CO 0.39 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 2jsc n GLY 38 N -1.28 -1.07 0.25 1.56 0.00 -1.26 -3.83 105.19 99.55 2jsc n GLY 38 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.42 0.00 1.61 3.07 -1.71 -2.81 115.11 115.69 2jsc h GLN 39 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.62 2jsc h GLN 39 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2jsc h GLN 39 CO 0.00 0.56 0.00 1.28 0.09 0.00 0.00 178.83 180.76 2jsc n LEU 40 N -4.21 0.00 -0.28 0.06 4.77 -1.25 -1.52 117.00 114.57 2jsc n LEU 40 Ca 0.00 0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 56.27 2jsc n LEU 40 Cb 0.32 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2jsc n LEU 40 CO 0.40 -0.27 1.00 0.00 -1.33 0.00 0.00 177.39 177.19 2jsc h ALA 41 N 2.29 1.00 -0.06 -1.18 0.00 -1.69 -1.15 119.26 118.47 2jsc h ALA 41 Ca 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 2jsc h ALA 41 Cb 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2jsc h ALA 41 CO 0.00 0.67 -0.90 0.00 0.00 0.00 0.00 179.25 179.02 2jsc h ALA 42 N 1.14 0.28 0.00 0.00 0.00 -1.51 0.09 119.26 119.25 2jsc h ALA 42 Ca 0.25 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2jsc h ALA 42 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jsc h ALA 42 CO -0.01 0.71 -0.03 0.45 0.00 0.00 0.00 179.25 180.37 2jsc h HIS 43 N 0.42 0.00 0.00 0.00 -0.00 -1.47 -3.24 115.15 110.86 2jsc h HIS 43 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2jsc h HIS 43 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.95 2jsc h HIS 43 CO 0.08 0.03 -0.64 1.28 -0.00 0.00 0.00 177.93 178.69 2jsc n LEU 44 N -3.59 0.00 -0.02 2.43 4.77 -0.46 -5.01 117.00 115.12 2jsc n LEU 44 Ca -0.03 -0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2jsc n LEU 44 Cb 0.13 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2jsc n LEU 44 CO 0.26 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2jsc n GLY 45 N 1.94 0.30 3.84 -0.72 0.00 -0.02 -5.02 105.19 105.51 2jsc n GLY 45 Ca -0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 3.89 0.66 0.99 1.43 -0.98 -5.00 118.68 119.60 2jsc s LEU 46 Ca 0.00 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 2jsc s LEU 46 Cb 0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2jsc s LEU 46 CO 0.00 -0.01 1.16 0.28 0.23 0.00 0.00 176.35 178.02 2jsc s THR 47 N -1.99 2.80 0.63 5.49 -1.32 -1.26 -4.33 115.64 115.66 2jsc s THR 47 Ca 0.32 0.41 0.31 0.00 -1.21 0.00 0.00 61.69 61.53 2jsc s THR 47 Cb -0.09 -2.99 0.35 0.00 -1.51 0.00 0.00 72.50 68.26 2jsc s THR 47 CO 0.25 -0.19 2.00 0.08 -2.21 0.00 0.00 174.62 174.55 2jsc h ARG 48 N 0.17 0.00 0.43 7.08 0.11 -1.96 -1.16 114.38 119.05 2jsc h ARG 48 Ca -0.48 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2jsc h ARG 48 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2jsc h ARG 48 CO 0.53 0.00 -0.21 1.03 0.10 0.00 0.00 179.97 181.42 2jsc h SER 49 N 0.00 -0.49 -0.60 0.08 0.87 -1.99 -2.04 113.55 109.38 2jsc h SER 49 Ca 0.06 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2jsc h SER 49 Cb 0.66 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 2jsc h SER 49 CO -0.00 -0.11 0.26 0.78 -0.53 0.00 0.00 176.83 177.23 2jsc h ASN 50 N -0.95 0.85 -0.09 6.23 4.21 -1.64 0.89 115.58 125.08 2jsc h ASN 50 Ca -0.06 -0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.36 2jsc h ASN 50 Cb 0.57 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 2jsc h ASN 50 CO 0.10 0.76 -0.02 0.58 -1.29 0.00 0.00 177.43 177.55 2jsc h VAL 51 N 0.91 0.91 -0.33 2.81 2.07 -1.37 -2.87 116.25 118.39 2jsc h VAL 51 Ca 0.22 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 2jsc h VAL 51 Cb 0.17 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2jsc h VAL 51 CO -0.02 0.00 0.03 0.28 0.02 0.00 0.00 177.57 177.88 2jsc h SER 52 N 0.00 0.45 0.11 0.57 0.02 -0.50 -2.31 113.55 111.89 2jsc h SER 52 Ca 0.04 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2jsc h SER 52 Cb 0.07 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2jsc h SER 52 CO -0.09 0.50 -0.16 -1.13 -1.14 0.00 0.00 176.83 174.81 2jsc h ASN 53 N 0.48 -0.43 1.61 3.07 -0.73 -0.66 0.35 115.58 119.27 2jsc h ASN 53 Ca 0.11 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.33 2jsc h ASN 53 Cb 0.27 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.02 2jsc h ASN 53 CO 0.00 -0.23 0.00 0.45 -0.37 0.00 0.00 177.43 177.29 2jsc h HIS 54 N -0.31 0.00 0.00 0.67 3.86 -1.49 -2.87 115.15 115.01 2jsc h HIS 54 Ca 0.02 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2jsc h HIS 54 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2jsc h HIS 54 CO -0.16 0.00 -0.17 -0.07 0.86 0.00 0.00 177.93 178.39 2jsc h LEU 55 N 0.00 0.00 0.14 2.43 3.38 -0.85 -3.35 115.31 117.06 2jsc h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jsc h LEU 55 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2jsc h LEU 55 CO 0.00 0.17 -0.31 0.77 0.09 0.00 0.00 178.44 179.16 2jsc h SER 56 N 0.00 -0.91 -0.68 -0.43 4.64 -0.70 -2.52 113.55 112.94 2jsc h SER 56 Ca -0.00 0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 2jsc h SER 56 Cb 0.94 0.33 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 2jsc h SER 56 CO 0.02 -0.35 0.15 0.00 -0.87 0.00 0.00 176.83 175.78 2jsc h LEU 58 N 1.04 0.58 0.00 0.00 5.85 -1.65 0.15 115.31 121.29 2jsc h LEU 58 Ca 0.21 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2jsc h LEU 58 Cb 0.39 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2jsc h LEU 58 CO 0.01 0.06 -0.69 0.03 -0.34 0.00 0.00 178.44 177.50 2jsc h ARG 59 N 0.51 0.00 0.04 1.25 3.08 -1.41 0.50 114.38 118.35 2jsc h ARG 59 Ca 0.63 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.34 2jsc h ARG 59 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 2jsc h ARG 59 CO -0.50 0.00 -1.90 0.41 -1.07 0.00 0.00 179.97 176.91 2jsc n GLY 60 N 1.27 -0.61 0.00 0.04 0.00 -0.52 -4.09 105.19 101.27 2jsc n GLY 60 Ca 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.21 0.33 0.00 0.00 -1.09 -4.85 105.19 100.12 2jsc n GLY 62 Ca 0.04 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.29 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 -8.26 0.99 3.38 -1.23 -3.39 115.31 106.80 2jsc h LEU 63 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2jsc h LEU 63 Cb 0.44 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.95 2jsc h LEU 63 CO 0.00 0.00 -0.77 0.68 0.09 0.00 0.00 178.44 178.44 2jsc s VAL 64 N -4.08 0.88 -0.03 1.22 -7.23 -0.74 -0.72 120.40 109.70 2jsc s VAL 64 Ca -0.04 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 2jsc s VAL 64 Cb 0.12 -0.84 -0.00 0.00 0.56 0.00 0.00 36.38 36.22 2jsc s VAL 64 CO 0.43 -0.14 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.24 2jsc s VAL 65 N -1.01 1.14 0.99 1.32 1.01 0.70 -4.44 120.40 120.10 2jsc s VAL 65 Ca -0.02 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 2jsc s VAL 65 Cb -0.08 -0.97 0.18 0.00 0.00 0.00 0.00 36.38 35.51 2jsc s VAL 65 CO 0.01 0.33 1.16 0.00 0.00 0.00 0.00 175.10 176.60 2jsc s ALA 66 N -0.08 1.52 -0.08 5.51 0.00 -1.26 -0.73 121.76 126.64 2jsc s ALA 66 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 2jsc s ALA 66 Cb -0.08 -2.97 0.07 0.00 0.00 0.00 0.00 23.12 20.14 2jsc s ALA 66 CO 0.01 -2.63 0.71 0.99 0.00 0.00 0.00 175.76 174.83 2jsc s THR 67 N -3.29 0.00 -0.36 0.00 2.01 -0.96 -4.81 115.64 108.24 2jsc s THR 67 Ca 0.67 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.53 2jsc s THR 67 Cb -0.12 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2jsc s THR 67 CO 0.54 0.00 0.31 -0.47 -0.69 0.00 0.00 174.62 174.31 2jsc s TYR 68 N -1.05 3.22 -0.37 4.92 5.04 -1.26 -0.92 117.35 126.92 2jsc s TYR 68 Ca -0.09 -0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 2jsc s TYR 68 Cb -0.00 -2.60 0.39 0.00 0.35 0.00 0.00 41.96 40.09 2jsc s TYR 68 CO 0.09 -0.44 1.80 0.39 -1.34 0.00 0.00 175.55 176.04 2jsc n GLU 69 N 5.26 1.97 0.00 4.97 -0.58 0.71 -4.89 120.64 128.09 2jsc n GLU 69 Ca -0.11 -2.12 0.00 0.00 -0.42 0.00 0.00 57.16 54.52 2jsc n GLU 69 Cb 0.49 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 2jsc n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jsc n GLY 70 N -0.41 1.70 0.00 0.62 0.00 -1.26 -4.13 105.19 101.71 2jsc n GLY 70 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.68 3.14 -3.71 1.61 3.00 -1.26 -5.13 116.66 112.62 2jsc n ARG 71 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2jsc n ARG 71 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 32.46 32.19 2jsc n ARG 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2jsc n GLN 72 N 0.00 0.79 -4.16 -0.14 1.13 -1.26 -5.18 117.38 108.56 2jsc n GLN 72 Ca 0.00 -2.41 -0.26 0.00 -1.94 0.00 0.00 57.00 52.39 2jsc n GLN 72 Cb 0.00 2.52 -0.07 0.00 0.11 0.00 0.00 30.24 32.81 2jsc n GLN 72 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2jsc s VAL 73 N -2.58 4.02 0.44 5.09 -7.23 -1.26 -0.21 120.40 118.68 2jsc s VAL 73 Ca 0.23 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.09 2jsc s VAL 73 Cb -0.02 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 2jsc s VAL 73 CO 0.16 -0.14 0.04 0.00 -0.31 0.00 0.00 175.10 174.84 2jsc s ARG 74 N -3.11 2.02 -0.12 4.82 1.70 -0.10 -4.09 118.95 120.07 2jsc s ARG 74 Ca 0.29 -2.23 -0.01 0.00 -0.47 0.00 0.00 55.73 53.32 2jsc s ARG 74 Cb -0.09 -1.30 0.03 0.00 -0.57 0.00 0.00 34.95 33.02 2jsc s ARG 74 CO 0.21 -0.29 -0.05 0.71 -1.08 0.00 0.00 175.30 174.80 2jsc s TYR 75 N -2.95 1.36 0.21 5.89 1.51 -1.26 -2.26 117.35 119.84 2jsc s TYR 75 Ca 0.20 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.63 2jsc s TYR 75 Cb 0.05 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 2jsc s TYR 75 CO 0.10 -0.50 0.08 0.00 -1.11 0.00 0.00 175.55 174.12 2jsc s ALA 76 N 1.75 3.37 0.69 3.71 0.00 0.09 -4.52 121.76 126.84 2jsc s ALA 76 Ca 0.04 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 2jsc s ALA 76 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2jsc s ALA 76 CO -0.08 0.39 0.88 -0.11 0.00 0.00 0.00 175.76 176.85 2jsc n LEU 77 N -0.57 3.05 -0.26 0.00 7.94 -1.26 -0.22 117.00 125.68 2jsc n LEU 77 Ca -0.08 0.69 0.05 0.00 -1.11 0.00 0.00 56.01 55.55 2jsc n LEU 77 Cb 0.56 -1.36 0.14 0.00 0.53 0.00 0.00 43.42 43.29 2jsc n LEU 77 CO 0.41 -2.21 0.79 0.00 -1.11 0.00 0.00 177.39 175.27 2jsc h ALA 78 N -0.07 0.72 -2.40 1.96 0.00 -1.11 -3.40 119.26 114.95 2jsc h ALA 78 Ca -0.47 0.26 0.24 0.00 0.00 0.00 0.00 54.91 54.94 2jsc h ALA 78 Cb 1.35 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 2jsc h ALA 78 CO 0.47 -0.43 0.72 -3.47 0.00 0.00 0.00 179.25 176.54 2jsc n ASP 79 N -5.40 -1.53 -0.35 0.00 2.03 -1.26 -4.78 116.55 105.25 2jsc n ASP 79 Ca 0.13 -1.65 0.29 0.00 0.52 0.00 0.00 54.79 54.08 2jsc n ASP 79 Cb 0.46 2.46 0.54 0.00 -0.72 0.00 0.00 41.12 43.86 2jsc n ASP 79 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2jsc h SER 80 N 1.99 0.40 0.22 1.67 4.64 -1.97 -1.80 113.55 118.71 2jsc h SER 80 Ca -0.25 0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2jsc h SER 80 Cb 1.20 0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.43 2jsc h SER 80 CO 0.35 -0.24 -0.39 0.45 -0.87 0.00 0.00 176.83 176.12 2jsc h HIS 81 N 0.18 -1.07 -0.04 4.77 3.86 -1.99 -0.11 115.15 120.74 2jsc h HIS 81 Ca 0.79 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.82 2jsc h HIS 81 Cb 2.02 0.44 -0.00 0.00 1.06 0.00 0.00 27.41 30.93 2jsc h HIS 81 CO -0.01 -0.51 -0.82 -0.07 0.86 0.00 0.00 177.93 177.39 2jsc h LEU 82 N -0.69 0.46 -2.05 2.43 3.38 -1.82 -2.50 115.31 114.52 2jsc h LEU 82 Ca 0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2jsc h LEU 82 Cb 0.67 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2jsc h LEU 82 CO -0.17 1.10 -0.05 0.00 0.09 0.00 0.00 178.44 179.41 2jsc h ALA 83 N 0.88 1.11 -1.28 1.53 0.00 -1.18 -1.01 119.26 119.31 2jsc h ALA 83 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jsc h ALA 83 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jsc h ALA 83 CO 0.14 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.99 2jsc n ARG 84 N -3.30 0.00 0.30 0.00 5.12 -0.07 -3.37 116.66 115.33 2jsc n ARG 84 Ca -0.01 0.26 0.18 0.00 -1.93 0.00 0.00 57.85 56.35 2jsc n ARG 84 Cb 0.22 -0.75 0.91 0.00 -1.16 0.00 0.00 32.46 31.69 2jsc n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jsc h ALA 85 N -2.00 1.13 -0.01 7.54 0.00 -1.40 0.40 119.26 124.91 2jsc h ALA 85 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2jsc h ALA 85 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jsc h ALA 85 CO 0.00 0.05 -0.76 1.25 0.00 0.00 0.00 179.25 179.79 2jsc h LEU 86 N 0.00 0.68 -1.20 0.00 6.46 -1.43 -3.35 115.31 116.47 2jsc h LEU 86 Ca -0.00 -0.74 -0.07 0.00 -0.12 0.00 0.00 57.88 56.94 2jsc h LEU 86 Cb 0.23 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2jsc h LEU 86 CO 0.01 1.33 -0.24 1.23 -0.62 0.00 0.00 178.44 180.15 2jsc h GLY 87 N 0.10 0.27 1.54 3.75 0.00 -0.63 -2.41 103.07 105.69 2jsc h GLY 87 Ca -0.09 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.09 2jsc h GLY 87 CO 0.15 0.19 0.18 0.83 0.00 0.00 0.00 176.54 177.88 2jsc h GLU 88 N 0.23 0.00 -3.88 4.80 3.07 -0.53 -3.48 114.58 114.78 2jsc h GLU 88 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2jsc h GLU 88 Cb 0.56 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.42 2jsc h GLU 88 CO 0.04 0.00 -0.66 -0.11 -1.40 0.00 0.00 179.01 176.88 2jsc n LEU 89 N -4.06 -3.99 -0.08 1.33 7.94 -0.91 -4.86 117.00 112.38 2jsc n LEU 89 Ca 0.02 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 2jsc n LEU 89 Cb 0.31 -2.01 0.00 0.00 0.53 0.00 0.00 43.42 42.24 2jsc n LEU 89 CO 0.30 -1.72 0.00 1.33 -1.11 0.00 0.00 177.39 176.20 2jsc n VAL 90 N 0.66 0.00 0.00 1.96 0.24 -1.26 -4.79 118.33 115.15 2jsc n VAL 90 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2jsc n VAL 90 Cb 0.24 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.20 0.00 -0.07 7.34 1.13 -1.26 -4.82 117.38 119.50 2jsc n GLN 91 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jsc n GLN 91 Cb 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 30.24 30.21 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 -0.28 0.25 -0.87 5.09 3.14 -1.26 -4.49 118.33 119.89 2jsc n VAL 92 Ca 0.00 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2jsc n VAL 92 Cb 0.00 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 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 2.27 0.00 -1.97 1.55 0.31 -1.26 -3.52 118.33 115.71 2jsc n VAL 93 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2jsc n VAL 93 Cb 0.07 -0.51 -0.01 0.00 -0.91 0.00 0.00 33.84 32.48 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 -4.15 -4.68 7.52 0.00 -1.26 -4.93 117.00 109.49 2jsc n LEU 94 Ca 0.00 0.72 -0.46 0.00 0.00 0.00 0.00 56.01 56.27 2jsc n LEU 94 Cb 0.19 -1.94 -0.04 0.00 0.00 0.00 0.00 43.42 41.63 2jsc n LEU 94 CO 0.00 -1.44 1.44 0.00 0.00 0.00 0.00 177.39 177.39 2jsc n ALA 95 N 0.44 1.29 -0.80 1.96 0.00 -1.23 -4.99 120.51 117.18 2jsc n ALA 95 Ca -0.07 0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 2jsc n ALA 95 Cb 0.10 -2.50 0.19 0.00 0.00 0.00 0.00 19.45 17.24 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 3.17 2.25 -1.07 0.00 1.01 -1.26 -4.90 120.40 119.60 2jsc s VAL 96 Ca 0.87 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2jsc s VAL 96 Cb -0.62 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2jsc s VAL 96 CO 0.45 -0.11 0.13 0.47 0.00 0.00 0.00 175.10 176.04 2jsc n ASP 97 N -4.37 0.23 -4.51 3.32 9.92 -1.26 -4.81 116.55 115.06 2jsc n ASP 97 Ca 0.07 -0.49 -0.34 0.00 -0.53 0.00 0.00 54.79 53.51 2jsc n ASP 97 Cb 0.54 -0.11 -0.12 0.00 -0.64 0.00 0.00 41.12 40.78 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jsc s THR 98 N -1.07 3.85 -0.06 -3.53 -4.23 -1.26 -4.56 115.64 104.78 2jsc s THR 98 Ca 0.00 -0.38 -0.22 0.00 -1.18 0.00 0.00 61.69 59.91 2jsc s THR 98 Cb 0.00 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 2jsc s THR 98 CO 0.00 0.51 0.64 -0.62 -0.54 0.00 0.00 174.62 174.62 2jsc s ASP 99 N 0.16 6.94 -0.02 3.99 2.15 -1.26 -4.95 116.67 123.69 2jsc s ASP 99 Ca -0.02 1.13 0.03 0.00 0.43 0.00 0.00 52.55 54.12 2jsc s ASP 99 Cb -0.14 -2.38 -0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2jsc s ASP 99 CO 0.03 -0.04 -0.09 -1.10 -0.17 0.00 0.00 175.17 173.80 2jsc s GLN 100 N 0.51 0.82 1.15 4.34 1.11 -1.26 -5.16 119.66 121.17 2jsc s GLN 100 Ca 0.34 -0.30 -0.19 0.00 0.01 0.00 0.00 55.36 55.22 2jsc s GLN 100 Cb -0.18 -0.78 0.27 0.00 -1.01 0.00 0.00 33.01 31.31 2jsc s GLN 100 CO 0.17 0.15 1.20 -1.25 0.01 0.00 0.00 175.29 175.57 2jsc s PRO 101 N 0.00 -0.81 0.31 2.91 0.04 -1.26 -4.99 135.00 131.21 2jsc s PRO 101 Ca 0.00 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 60.45 2jsc s PRO 101 Cb -0.06 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 2jsc s PRO 101 CO -0.00 -3.40 1.39 0.00 0.04 0.00 0.00 177.00 175.04 2jsc h VAL 103 N 3.20 0.73 0.00 0.00 2.07 -2.02 -0.99 116.25 119.23 2jsc h VAL 103 Ca -0.48 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 2jsc h VAL 103 Cb 1.23 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 2jsc h VAL 103 CO 0.70 0.23 -0.78 0.00 0.02 0.00 0.00 177.57 177.74 2jsc h ALA 104 N 1.77 0.67 -2.07 1.67 0.00 -2.05 -3.46 119.26 115.79 2jsc h ALA 104 Ca -0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 2jsc h ALA 104 Cb 0.59 0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.10 2jsc h ALA 104 CO 0.03 0.24 -0.56 -1.21 0.00 0.00 0.00 179.25 177.75 2jsc s GLU 105 N -3.20 0.32 0.00 0.00 2.02 -0.38 -5.28 118.70 112.18 2jsc s GLU 105 Ca 0.01 0.24 0.19 0.00 0.02 0.00 0.00 54.97 55.43 2jsc s GLU 105 Cb 0.08 -0.67 1.13 0.00 0.10 0.00 0.00 34.13 34.77 2jsc s GLU 105 CO 0.76 -0.79 1.52 2.89 0.02 0.00 0.00 175.26 179.66