#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc n LEU 11 N 0.00 0.25 -0.18 0.00 -0.00 -1.26 -1.21 117.00 114.61 2jsc n LEU 11 Ca 0.00 0.57 0.25 0.00 -0.00 0.00 0.00 56.01 56.84 2jsc n LEU 11 Cb 0.00 -0.59 0.67 0.00 -0.00 0.00 0.00 43.42 43.50 2jsc n LEU 11 CO 0.00 -0.66 1.24 0.00 -0.00 0.00 0.00 177.39 177.97 2jsc h ALA 12 N 1.76 2.65 0.05 1.47 0.00 -2.05 -0.56 119.26 122.57 2jsc h ALA 12 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 12 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jsc h ALA 12 CO 0.00 -0.90 -1.39 0.00 0.00 0.00 0.00 179.25 176.96 2jsc h ARG 13 N 0.10 0.10 -0.28 0.00 3.08 -1.58 -3.25 114.38 112.55 2jsc h ARG 13 Ca 0.42 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.35 2jsc h ARG 13 Cb 1.50 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.57 2jsc h ARG 13 CO -0.05 0.93 -0.05 1.25 -1.07 0.00 0.00 179.97 180.98 2jsc h LEU 14 N 0.03 -0.22 -1.90 3.04 7.12 -1.23 -1.66 115.31 120.48 2jsc h LEU 14 Ca -0.17 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 57.89 2jsc h LEU 14 Cb 1.93 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 42.21 2jsc h LEU 14 CO 0.13 -0.07 -0.12 1.23 -0.13 0.00 0.00 178.44 179.48 2jsc h GLY 15 N 0.03 0.00 0.87 3.75 0.00 -1.54 -0.55 103.07 105.62 2jsc h GLY 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2jsc h GLY 15 CO -0.27 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.14 2jsc n ARG 16 N -3.66 0.79 -0.01 4.80 0.00 -0.64 -1.14 116.66 116.81 2jsc n ARG 16 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.82 2jsc n ARG 16 Cb 0.24 -1.44 -0.01 0.00 0.00 0.00 0.00 32.46 31.25 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jsc n ALA 17 N -0.94 1.96 1.09 5.13 0.00 -0.49 -4.55 120.51 122.71 2jsc n ALA 17 Ca 0.17 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.65 2jsc n ALA 17 Cb 0.08 0.42 0.43 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.49 0.39 -1.73 0.00 4.32 -0.34 -1.84 117.00 115.31 2jsc n LEU 18 Ca -0.04 0.13 -0.06 0.00 -0.02 0.00 0.00 56.01 56.03 2jsc n LEU 18 Cb 0.54 -0.30 0.08 0.00 -1.62 0.00 0.00 43.42 42.12 2jsc n LEU 18 CO 0.02 0.09 0.16 0.00 -1.22 0.00 0.00 177.39 176.44 2jsc n ALA 19 N -1.35 3.63 -2.49 -1.18 0.00 -0.29 -4.78 120.51 114.05 2jsc n ALA 19 Ca 0.08 -3.17 -0.31 0.00 0.00 0.00 0.00 53.44 50.04 2jsc n ALA 19 Cb 0.33 -0.53 -0.12 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.26 4.04 0.00 0.00 2.15 -1.20 -4.90 116.67 113.49 2jsc s ASP 20 Ca 0.39 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2jsc s ASP 20 Cb 0.38 -0.76 0.00 0.00 -0.30 0.00 0.00 42.92 42.24 2jsc s ASP 20 CO -0.05 0.27 0.00 -0.81 -0.17 0.00 0.00 175.17 174.42 2jsc n PRO 21 N 1.62 0.00 0.31 4.34 -0.04 -1.26 -0.97 135.00 139.00 2jsc n PRO 21 Ca -0.16 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.47 2jsc n PRO 21 Cb 0.52 -0.28 0.99 0.00 -0.04 0.00 0.00 33.50 34.69 2jsc n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc h THR 22 N 0.00 0.39 -0.19 0.52 1.03 -1.95 -3.02 112.91 109.69 2jsc h THR 22 Ca 0.00 -0.02 -0.13 0.00 -0.01 0.00 0.00 66.41 66.25 2jsc h THR 22 Cb 0.00 1.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.09 2jsc h THR 22 CO 0.00 0.00 -0.44 0.03 -0.01 0.00 0.00 175.52 175.11 2jsc h ARG 23 N 0.00 0.46 -0.25 0.00 3.08 -1.81 0.33 114.38 116.19 2jsc h ARG 23 Ca -0.00 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 2jsc h ARG 23 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2jsc h ARG 23 CO 0.00 0.81 -0.44 0.00 -1.07 0.00 0.00 179.97 179.27 2jsc h ARG 25 N 0.52 0.39 -0.58 0.00 3.08 -1.42 -1.71 114.38 114.65 2jsc h ARG 25 Ca 0.03 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.15 2jsc h ARG 25 Cb 0.98 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.83 2jsc h ARG 25 CO 0.09 0.26 -0.45 0.82 -1.07 0.00 0.00 179.97 179.62 2jsc h ILE 26 N 0.40 0.08 -0.77 2.04 2.04 -0.30 0.17 117.51 121.16 2jsc h ILE 26 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2jsc h ILE 26 Cb -0.01 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 2jsc h ILE 26 CO -0.05 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 178.43 2jsc h LEU 27 N -0.23 0.98 -0.53 1.44 3.38 -1.31 0.18 115.31 119.21 2jsc h LEU 27 Ca 0.17 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2jsc h LEU 27 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jsc h LEU 27 CO -0.69 0.80 -0.59 1.62 0.09 0.00 0.00 178.44 179.67 2jsc h VAL 28 N 1.07 1.20 -0.00 1.22 3.04 -0.74 -2.58 116.25 119.45 2jsc h VAL 28 Ca 0.27 -2.20 -0.14 0.00 -1.01 0.00 0.00 66.70 63.62 2jsc h VAL 28 Cb 0.06 2.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.58 2jsc h VAL 28 CO -0.04 0.58 -0.67 0.00 -1.01 0.00 0.00 177.57 176.43 2jsc h ALA 29 N 1.41 0.88 -0.23 3.17 0.00 -0.29 -2.81 119.26 121.39 2jsc h ALA 29 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2jsc h ALA 29 Cb 1.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jsc h ALA 29 CO 0.08 0.83 0.09 -0.07 0.00 0.00 0.00 179.25 180.18 2jsc h LEU 30 N 0.01 0.33 -0.69 0.00 4.07 -0.55 -1.95 115.31 116.53 2jsc h LEU 30 Ca -0.01 -0.18 0.14 0.00 0.08 0.00 0.00 57.88 57.92 2jsc h LEU 30 Cb 1.19 -0.09 -0.10 0.00 1.08 0.00 0.00 40.66 42.74 2jsc h LEU 30 CO 0.09 0.41 0.18 -0.07 -1.08 0.00 0.00 178.44 177.97 2jsc h LEU 31 N 0.22 0.05 -3.96 1.67 3.38 -1.27 0.61 115.31 116.02 2jsc h LEU 31 Ca 0.08 0.13 -0.64 0.00 0.09 0.00 0.00 57.88 57.54 2jsc h LEU 31 Cb 0.19 0.16 -0.34 0.00 0.09 0.00 0.00 40.66 40.77 2jsc h LEU 31 CO -0.01 0.00 0.27 -0.67 0.09 0.00 0.00 178.44 178.13 2jsc n ASP 32 N -5.12 6.69 0.00 -0.43 2.03 -1.08 -4.78 116.55 113.86 2jsc n ASP 32 Ca 0.12 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.66 2jsc n ASP 32 Cb 0.40 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsc n GLY 33 N -0.83 -1.02 1.80 0.27 0.00 -0.36 -4.95 105.19 100.11 2jsc n GLY 33 Ca 0.56 0.28 -0.02 0.00 0.00 0.00 0.00 46.02 46.83 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 -1.26 0.00 -0.01 1.61 0.24 0.06 -4.84 118.33 114.13 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 -0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N -1.20 0.56 0.36 0.00 2.02 -1.26 -4.17 117.35 113.66 2jsc s TYR 36 Ca -0.02 -0.96 0.24 0.00 -0.37 0.00 0.00 57.07 55.97 2jsc s TYR 36 Cb 0.00 -0.26 1.26 0.00 -0.40 0.00 0.00 41.96 42.56 2jsc s TYR 36 CO 0.02 -0.58 2.00 -1.00 -1.57 0.00 0.00 175.55 174.42 2jsc h PRO 37 N 2.77 0.00 -0.54 -1.71 0.13 -1.87 -1.08 132.00 129.70 2jsc h PRO 37 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jsc h PRO 37 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jsc h PRO 37 CO 0.56 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 2jsc n GLY 38 N -0.54 2.74 0.27 1.56 0.00 -1.26 -4.62 105.19 103.34 2jsc n GLY 38 Ca -0.02 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 3.21 0.50 -0.06 1.61 -0.00 -1.59 -2.08 115.11 116.70 2jsc h GLN 39 Ca 0.00 -0.11 0.02 0.00 -0.00 0.00 0.00 58.65 58.55 2jsc h GLN 39 Cb 0.99 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 28.40 2jsc h GLN 39 CO 0.05 0.55 0.19 -0.07 -0.00 0.00 0.00 178.83 179.55 2jsc h LEU 40 N 0.48 0.00 -1.90 0.06 3.38 -1.82 -2.51 115.31 113.00 2jsc h LEU 40 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2jsc h LEU 40 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jsc h LEU 40 CO 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.44 2jsc h ALA 41 N 1.66 1.67 0.06 1.53 0.00 -1.57 0.11 119.26 122.74 2jsc h ALA 41 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jsc h ALA 41 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jsc h ALA 41 CO -0.00 0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.35 2jsc h ALA 42 N 1.90 -0.09 -0.71 0.00 0.00 -1.66 -2.96 119.26 115.74 2jsc h ALA 42 Ca -0.00 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.94 2jsc h ALA 42 Cb 0.20 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2jsc h ALA 42 CO 0.01 -0.09 0.50 0.45 0.00 0.00 0.00 179.25 180.12 2jsc h HIS 43 N -1.00 0.17 0.00 0.00 -0.00 -1.54 -2.63 115.15 110.15 2jsc h HIS 43 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 2jsc h HIS 43 Cb 0.34 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 2jsc h HIS 43 CO 0.07 0.06 -1.94 1.28 -0.00 0.00 0.00 177.93 177.40 2jsc n LEU 44 N -4.39 0.17 0.00 2.43 4.77 0.37 -4.98 117.00 115.36 2jsc n LEU 44 Ca 0.14 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2jsc n LEU 44 Cb 0.69 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2jsc n LEU 44 CO 0.36 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2jsc n GLY 45 N 1.38 0.78 3.90 -0.72 0.00 -0.99 -5.02 105.19 104.52 2jsc n GLY 45 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 4.31 0.63 0.99 1.43 -1.23 -5.01 118.68 119.81 2jsc s LEU 46 Ca 0.00 0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 53.41 2jsc s LEU 46 Cb 0.00 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 2jsc s LEU 46 CO 0.00 0.12 1.18 0.42 0.23 0.00 0.00 176.35 178.30 2jsc s THR 47 N -1.56 2.76 0.21 5.49 -4.23 -1.26 -4.34 115.64 112.71 2jsc s THR 47 Ca 0.37 0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 61.22 2jsc s THR 47 Cb -0.13 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.80 2jsc s THR 47 CO 0.25 -0.15 1.80 0.08 -0.54 0.00 0.00 174.62 176.05 2jsc h ARG 48 N 0.47 0.64 -0.41 3.99 0.11 -1.91 0.17 114.38 117.44 2jsc h ARG 48 Ca -0.49 -0.04 -0.06 0.00 0.10 0.00 0.00 59.98 59.50 2jsc h ARG 48 Cb 1.28 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 2jsc h ARG 48 CO 0.54 0.42 0.02 0.77 0.10 0.00 0.00 179.97 181.83 2jsc h SER 49 N 0.66 0.61 -0.07 0.08 0.02 -2.00 -2.87 113.55 109.98 2jsc h SER 49 Ca 0.31 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 2jsc h SER 49 Cb 0.24 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.62 2jsc h SER 49 CO -0.21 0.66 -0.45 -1.13 -1.14 0.00 0.00 176.83 174.56 2jsc h ASN 50 N 0.62 0.52 -0.04 3.07 -0.73 -1.47 -3.26 115.58 114.30 2jsc h ASN 50 Ca 0.13 -0.67 -0.01 0.00 1.87 0.00 0.00 56.30 57.63 2jsc h ASN 50 Cb 0.35 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 2jsc h ASN 50 CO 0.01 1.11 0.01 0.58 -0.37 0.00 0.00 177.43 178.77 2jsc h VAL 51 N -0.03 1.04 -0.96 2.57 2.07 -0.73 -2.57 116.25 117.63 2jsc h VAL 51 Ca -0.04 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.51 2jsc h VAL 51 Cb 1.12 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 2jsc h VAL 51 CO 0.09 0.04 0.61 0.28 0.02 0.00 0.00 177.57 178.61 2jsc h SER 52 N 0.09 0.75 -0.25 0.57 0.02 -1.54 -1.21 113.55 111.96 2jsc h SER 52 Ca 0.02 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2jsc h SER 52 Cb 0.04 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2jsc h SER 52 CO -0.00 0.34 0.12 0.78 -1.14 0.00 0.00 176.83 176.93 2jsc h ASN 53 N 0.77 0.17 0.13 3.07 2.35 -1.60 0.66 115.58 121.12 2jsc h ASN 53 Ca 0.50 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 56.20 2jsc h ASN 53 Cb 0.76 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2jsc h ASN 53 CO -0.27 0.13 -0.23 0.45 -1.65 0.00 0.00 177.43 175.86 2jsc h HIS 54 N 0.25 0.21 -0.02 1.19 3.86 -1.43 -1.98 115.15 117.22 2jsc h HIS 54 Ca 0.11 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.11 2jsc h HIS 54 Cb 0.04 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2jsc h HIS 54 CO -0.10 0.42 -0.76 -0.07 0.86 0.00 0.00 177.93 178.27 2jsc h LEU 55 N 0.18 0.23 -1.44 2.43 3.38 -0.92 -3.36 115.31 115.81 2jsc h LEU 55 Ca 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2jsc h LEU 55 Cb 0.51 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jsc h LEU 55 CO 0.04 0.91 0.12 0.28 0.09 0.00 0.00 178.44 179.88 2jsc h SER 56 N 0.12 0.45 0.53 -0.43 0.02 -0.07 0.53 113.55 114.71 2jsc h SER 56 Ca -0.03 -0.05 -0.22 0.00 -0.84 0.00 0.00 61.79 60.65 2jsc h SER 56 Cb 1.34 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2jsc h SER 56 CO 0.12 0.43 -0.98 0.00 -1.14 0.00 0.00 176.83 175.25 2jsc h LEU 58 N 0.14 0.91 -0.25 0.00 5.85 -1.33 0.17 115.31 120.79 2jsc h LEU 58 Ca -0.07 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2jsc h LEU 58 Cb 1.64 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2jsc h LEU 58 CO 0.16 0.88 0.00 0.54 -0.34 0.00 0.00 178.44 179.68 2jsc n ARG 59 N -4.25 0.17 -0.11 1.25 1.74 0.04 -2.16 116.66 113.34 2jsc n ARG 59 Ca 0.05 0.26 -0.14 0.00 -0.77 0.00 0.00 57.85 57.25 2jsc n ARG 59 Cb 0.24 -1.75 -0.14 0.00 -1.02 0.00 0.00 32.46 29.79 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 0.71 -0.68 0.00 -0.13 0.00 -0.83 -4.18 105.19 100.08 2jsc n GLY 60 Ca 0.04 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 0.40 2.17 0.35 0.00 0.00 -1.13 -4.84 105.19 102.15 2jsc n GLY 62 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.25 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 -8.20 0.99 3.38 -1.77 -3.38 115.31 106.32 2jsc h LEU 63 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2jsc h LEU 63 Cb 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.41 2jsc h LEU 63 CO 0.00 0.00 -0.86 0.68 0.09 0.00 0.00 178.44 178.35 2jsc s VAL 64 N -4.57 1.88 -0.10 1.22 -7.23 -1.10 -1.44 120.40 109.06 2jsc s VAL 64 Ca -0.04 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2jsc s VAL 64 Cb 0.15 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 2jsc s VAL 64 CO 0.52 0.52 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.97 2jsc s VAL 65 N 0.64 2.78 0.32 1.32 1.01 0.33 -4.35 120.40 122.46 2jsc s VAL 65 Ca -0.12 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 2jsc s VAL 65 Cb -0.16 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 2jsc s VAL 65 CO 0.03 0.55 0.60 0.00 0.00 0.00 0.00 175.10 176.28 2jsc s ALA 66 N 0.04 3.57 0.01 5.51 0.00 -1.26 -0.65 121.76 128.99 2jsc s ALA 66 Ca -0.06 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 2jsc s ALA 66 Cb -0.15 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.61 2jsc s ALA 66 CO 0.05 0.16 0.24 0.99 0.00 0.00 0.00 175.76 177.20 2jsc s THR 67 N -2.17 0.08 -0.41 0.00 2.01 -1.10 -4.98 115.64 109.07 2jsc s THR 67 Ca 0.45 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 2jsc s THR 67 Cb -0.11 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.71 2jsc s THR 67 CO 0.31 -0.37 0.34 -0.31 -0.69 0.00 0.00 174.62 173.90 2jsc s TYR 68 N -1.88 3.22 -1.33 4.92 1.51 -1.26 -0.39 117.35 122.14 2jsc s TYR 68 Ca -0.10 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.37 2jsc s TYR 68 Cb -0.04 -2.67 0.13 0.00 -0.11 0.00 0.00 41.96 39.27 2jsc s TYR 68 CO 0.00 -0.60 2.05 0.39 -1.11 0.00 0.00 175.55 176.28 2jsc n GLU 69 N 5.29 3.62 -0.49 -0.62 -0.58 0.85 -4.75 120.64 123.95 2jsc n GLU 69 Ca -0.10 -3.30 0.00 0.00 -0.42 0.00 0.00 57.16 53.34 2jsc n GLU 69 Cb 0.47 -2.94 0.00 0.00 -0.57 0.00 0.00 31.44 28.40 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 2.91 0.19 0.00 0.62 0.00 -1.26 -0.85 105.19 106.80 2jsc n GLY 70 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.00 0.00 -2.73 1.61 1.74 -1.26 -5.14 116.66 108.88 2jsc n ARG 71 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2jsc n ARG 71 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 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 0.00 1.76 0.31 5.56 2.00 -0.03 -5.16 119.66 124.10 2jsc s GLN 72 Ca 0.00 -1.34 0.04 0.00 -2.00 0.00 0.00 55.36 52.06 2jsc s GLN 72 Cb 0.00 -2.42 -0.06 0.00 0.80 0.00 0.00 33.01 31.33 2jsc s GLN 72 CO 0.00 -1.36 0.04 0.14 -0.50 0.00 0.00 175.29 173.61 2jsc s VAL 73 N -3.04 1.20 0.22 1.34 -7.23 -1.26 -0.11 120.40 111.53 2jsc s VAL 73 Ca 0.66 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 2jsc s VAL 73 Cb -0.05 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2jsc s VAL 73 CO 0.43 -0.07 0.16 -2.11 -0.31 0.00 0.00 175.10 173.20 2jsc n ARG 74 N -0.63 0.37 -4.09 4.82 1.85 0.48 -3.55 116.66 115.91 2jsc n ARG 74 Ca -0.03 -2.12 -0.13 0.00 -1.00 0.00 0.00 57.85 54.57 2jsc n ARG 74 Cb 0.66 1.59 -0.11 0.00 -1.05 0.00 0.00 32.46 33.54 2jsc n ARG 74 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2jsc s TYR 75 N -2.77 0.75 -0.00 2.89 2.02 -1.26 -2.72 117.35 116.26 2jsc s TYR 75 Ca 0.22 -0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 56.19 2jsc s TYR 75 Cb 0.01 -0.44 0.03 0.00 -0.40 0.00 0.00 41.96 41.16 2jsc s TYR 75 CO 0.16 -0.08 0.40 0.00 -1.57 0.00 0.00 175.55 174.46 2jsc s ALA 76 N -1.66 -1.01 0.46 3.71 0.00 0.18 -4.34 121.76 119.09 2jsc s ALA 76 Ca -0.06 0.47 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 2jsc s ALA 76 Cb -0.08 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 2jsc s ALA 76 CO -0.00 -0.34 1.27 1.28 0.00 0.00 0.00 175.76 177.97 2jsc n LEU 77 N 0.95 4.32 0.02 0.00 7.99 -1.26 -0.51 117.00 128.51 2jsc n LEU 77 Ca -0.20 1.06 0.08 0.00 -0.01 0.00 0.00 56.01 56.94 2jsc n LEU 77 Cb 0.57 -1.51 0.35 0.00 -0.11 0.00 0.00 43.42 42.73 2jsc n LEU 77 CO 0.22 -0.71 0.76 0.00 -1.51 0.00 0.00 177.39 176.15 2jsc n ALA 78 N -0.47 1.70 -3.61 -1.18 0.00 -0.52 -4.72 120.51 111.70 2jsc n ALA 78 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 2jsc n ALA 78 Cb 0.41 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 2jsc n ALA 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jsc s ASP 79 N -3.20 -0.10 0.50 0.00 2.15 -1.26 -5.01 116.67 109.75 2jsc s ASP 79 Ca 0.07 -0.02 0.40 0.00 0.43 0.00 0.00 52.55 53.43 2jsc s ASP 79 Cb 0.10 0.12 1.59 0.00 -0.30 0.00 0.00 42.92 44.43 2jsc s ASP 79 CO 0.30 -0.20 1.61 0.77 -0.17 0.00 0.00 175.17 177.48 2jsc h SER 80 N 2.00 0.11 -0.73 -0.34 4.64 -1.99 -0.96 113.55 116.28 2jsc h SER 80 Ca -0.11 0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.34 2jsc h SER 80 Cb 1.16 0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 2jsc h SER 80 CO 0.23 -0.09 -0.54 0.45 -0.87 0.00 0.00 176.83 176.01 2jsc h HIS 81 N 0.03 -1.70 0.13 4.77 3.86 -1.98 -0.05 115.15 120.20 2jsc h HIS 81 Ca 0.86 0.11 -0.28 0.00 -1.16 0.00 0.00 60.37 59.90 2jsc h HIS 81 Cb 3.11 0.84 0.00 0.00 1.06 0.00 0.00 27.41 32.43 2jsc h HIS 81 CO -0.00 -0.38 -1.26 -0.07 0.86 0.00 0.00 177.93 177.07 2jsc h LEU 82 N -0.13 0.42 -1.17 2.43 -0.00 -1.58 -1.52 115.31 113.76 2jsc h LEU 82 Ca 0.12 -0.46 0.10 0.00 -0.00 0.00 0.00 57.88 57.65 2jsc h LEU 82 Cb 0.44 -0.14 -0.07 0.00 -0.00 0.00 0.00 40.66 40.90 2jsc h LEU 82 CO -0.76 1.36 0.59 0.00 -0.00 0.00 0.00 178.44 179.63 2jsc h ALA 83 N 0.58 1.62 0.26 1.53 0.00 -1.43 -1.69 119.26 120.13 2jsc h ALA 83 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jsc h ALA 83 Cb 1.98 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2jsc h ALA 83 CO 0.20 0.18 -0.13 0.00 0.00 0.00 0.00 179.25 179.51 2jsc h ARG 84 N 0.90 -0.34 0.00 0.00 3.08 -0.89 -1.75 114.38 115.38 2jsc h ARG 84 Ca 0.43 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.49 2jsc h ARG 84 Cb 0.43 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2jsc h ARG 84 CO -0.19 -0.23 -0.04 0.00 -1.07 0.00 0.00 179.97 178.44 2jsc h ALA 85 N -1.47 1.53 0.23 0.04 0.00 -1.25 0.88 119.26 119.21 2jsc h ALA 85 Ca -0.04 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 2jsc h ALA 85 Cb 0.27 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jsc h ALA 85 CO 0.06 0.05 -1.51 1.25 0.00 0.00 0.00 179.25 179.10 2jsc h LEU 86 N 0.00 0.75 0.55 0.00 6.46 -1.47 -2.40 115.31 119.20 2jsc h LEU 86 Ca -0.00 -0.93 -0.03 0.00 -0.12 0.00 0.00 57.88 56.81 2jsc h LEU 86 Cb 0.11 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2jsc h LEU 86 CO 0.01 1.71 -0.26 1.23 -0.62 0.00 0.00 178.44 180.51 2jsc h GLY 87 N 0.25 -0.77 2.00 3.75 0.00 0.02 -3.02 103.07 105.29 2jsc h GLY 87 Ca -0.28 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 87 CO 0.23 -0.28 -0.05 1.05 0.00 0.00 0.00 176.54 177.49 2jsc h GLU 88 N -1.19 0.00 0.00 4.80 9.09 -1.18 -3.49 114.58 122.62 2jsc h GLU 88 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 2jsc h GLU 88 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 2jsc h GLU 88 CO 0.12 0.05 0.00 -0.11 0.05 0.00 0.00 179.01 179.13 2jsc n LEU 89 N -3.26 -1.70 -0.35 3.06 0.00 -1.14 -4.75 117.00 108.86 2jsc n LEU 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 2jsc n LEU 89 Cb 0.24 0.98 0.00 0.00 0.00 0.00 0.00 43.42 44.64 2jsc n LEU 89 CO 0.27 0.00 0.05 1.33 0.00 0.00 0.00 177.39 179.04 2jsc n VAL 90 N -0.57 0.00 0.00 1.96 0.24 -0.91 -4.75 118.33 114.30 2jsc n VAL 90 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 90 Cb 0.00 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 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 0.14 0.00 0.00 7.34 1.13 -1.26 -4.84 117.38 119.89 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 0.03 -2.30 0.00 0.00 0.11 0.00 0.00 30.24 28.08 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 -1.97 0.00 -0.99 5.09 3.14 -1.26 -4.69 118.33 117.65 2jsc n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2jsc n VAL 92 Cb 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.67 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 0.53 0.00 -0.23 1.55 0.31 -1.26 -3.95 118.33 115.28 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 0.00 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2jsc n VAL 93 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jsc n LEU 94 N 0.00 -0.47 -4.04 7.52 7.99 -1.26 -4.95 117.00 121.78 2jsc n LEU 94 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.66 2jsc n LEU 94 Cb 0.28 -0.23 -0.09 0.00 -0.11 0.00 0.00 43.42 43.26 2jsc n LEU 94 CO 0.00 0.00 1.56 0.00 -1.51 0.00 0.00 177.39 177.44 2jsc n ALA 95 N 2.30 1.60 -1.77 -1.18 0.00 -1.25 -4.95 120.51 115.25 2jsc n ALA 95 Ca 0.00 -2.84 -0.37 0.00 0.00 0.00 0.00 53.44 50.23 2jsc n ALA 95 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 19.45 15.87 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 9.81 3.23 -0.70 0.00 1.01 -1.26 -4.69 120.40 127.80 2jsc s VAL 96 Ca 0.69 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 63.38 2jsc s VAL 96 Cb 0.06 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.80 2jsc s VAL 96 CO 0.20 -0.02 1.76 0.47 0.00 0.00 0.00 175.10 177.51 2jsc n ASP 97 N -0.47 0.44 -3.68 3.32 9.92 -1.26 -4.87 116.55 119.94 2jsc n ASP 97 Ca 0.07 -2.18 -0.18 0.00 -0.53 0.00 0.00 54.79 51.97 2jsc n ASP 97 Cb 0.49 -1.31 -0.17 0.00 -0.64 0.00 0.00 41.12 39.49 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 12.08 -0.14 -0.11 -3.53 -4.23 -1.26 -5.03 115.64 113.42 2jsc s THR 98 Ca 0.59 0.37 -0.00 0.00 -1.18 0.00 0.00 61.69 61.47 2jsc s THR 98 Cb -0.02 -0.18 -0.02 0.00 1.34 0.00 0.00 72.50 73.61 2jsc s THR 98 CO 0.15 0.16 -0.09 1.51 -0.54 0.00 0.00 174.62 175.81 2jsc s ASP 99 N 2.02 4.38 0.02 3.99 -4.77 -1.26 -4.98 116.67 116.08 2jsc s ASP 99 Ca 0.02 -0.17 -0.28 0.00 -3.30 0.00 0.00 52.55 48.83 2jsc s ASP 99 Cb -0.12 -1.40 0.09 0.00 -1.09 0.00 0.00 42.92 40.40 2jsc s ASP 99 CO -0.04 0.25 0.81 -1.58 0.70 0.00 0.00 175.17 175.32 2jsc s GLN 100 N -0.15 0.93 0.75 2.11 2.00 -1.26 -5.19 119.66 118.86 2jsc s GLN 100 Ca 0.01 -0.27 -0.09 0.00 -2.00 0.00 0.00 55.36 53.00 2jsc s GLN 100 Cb -0.13 0.43 0.07 0.00 0.80 0.00 0.00 33.01 34.18 2jsc s GLN 100 CO 0.03 -0.39 1.09 -1.25 -0.50 0.00 0.00 175.29 174.27 2jsc s PRO 101 N -3.00 2.05 0.88 1.67 0.04 -1.26 -5.11 135.00 130.26 2jsc s PRO 101 Ca 0.03 -0.12 -0.09 0.00 0.04 0.00 0.00 61.00 60.85 2jsc s PRO 101 Cb -0.01 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.65 2jsc s PRO 101 CO -0.08 -1.42 1.19 0.00 0.04 0.00 0.00 177.00 176.73 2jsc n VAL 103 N -3.41 0.43 0.00 0.00 0.31 -1.26 -4.69 118.33 109.71 2jsc n VAL 103 Ca 0.17 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2jsc n VAL 103 Cb 0.59 0.87 0.00 0.00 -0.91 0.00 0.00 33.84 34.40 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 0.32 1.89 -3.68 3.52 0.00 -1.26 -5.07 120.51 116.24 2jsc n ALA 104 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2jsc n ALA 104 Cb 0.26 0.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.58 0.34 0.00 0.00 -6.30 -1.26 -5.32 118.70 104.57 2jsc s GLU 105 Ca 0.00 0.88 0.00 0.00 -2.50 0.00 0.00 54.97 53.35 2jsc s GLU 105 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 34.13 34.25 2jsc s GLU 105 CO 0.00 -0.21 0.00 -2.13 0.02 0.00 0.00 175.26 172.94