#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 0.78 -0.14 0.00 8.10 -2.06 0.99 115.31 122.98 2jsc h LEU 11 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2jsc h LEU 11 Cb 0.00 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.05 2jsc h LEU 11 CO 0.00 0.51 0.00 0.00 -4.11 0.00 0.00 178.44 174.84 2jsc n ALA 12 N -2.43 1.81 -0.03 0.17 0.00 -1.26 -2.40 120.51 116.37 2jsc n ALA 12 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jsc n ALA 12 Cb 0.19 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 2jsc n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jsc n ARG 13 N -1.69 1.35 -0.20 0.00 5.12 -0.48 -4.25 116.66 116.50 2jsc n ARG 13 Ca 0.04 -0.05 -0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2jsc n ARG 13 Cb 0.23 -1.30 0.11 0.00 -1.16 0.00 0.00 32.46 30.33 2jsc n ARG 13 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2jsc h LEU 14 N 0.00 0.21 -0.96 0.55 7.12 -0.55 -0.79 115.31 120.90 2jsc h LEU 14 Ca -0.18 0.08 -0.07 0.00 0.13 0.00 0.00 57.88 57.84 2jsc h LEU 14 Cb 1.22 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.39 2jsc h LEU 14 CO 0.01 0.13 -0.00 1.23 -0.13 0.00 0.00 178.44 179.68 2jsc h GLY 15 N 0.40 0.81 0.95 3.75 0.00 -1.71 -2.17 103.07 105.09 2jsc h GLY 15 Ca 0.30 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2jsc h GLY 15 CO -0.31 0.49 0.18 -0.09 0.00 0.00 0.00 176.54 176.81 2jsc h ARG 16 N 0.70 0.54 -0.75 4.80 1.12 -1.51 -0.21 114.38 119.07 2jsc h ARG 16 Ca 0.14 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2jsc h ARG 16 Cb 0.43 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.26 2jsc h ARG 16 CO 0.02 0.48 0.39 0.00 -3.11 0.00 0.00 179.97 177.75 2jsc h ALA 17 N 1.03 0.97 0.00 2.80 0.00 -1.06 -0.46 119.26 122.54 2jsc h ALA 17 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jsc h ALA 17 Cb 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jsc h ALA 17 CO -0.02 0.51 0.00 -0.07 0.00 0.00 0.00 179.25 179.67 2jsc h LEU 18 N 1.05 0.00 0.00 0.00 3.38 -1.09 -3.18 115.31 115.46 2jsc h LEU 18 Ca 0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 2jsc h LEU 18 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2jsc h LEU 18 CO -0.04 0.00 -1.14 0.00 0.09 0.00 0.00 178.44 177.35 2jsc h ALA 19 N 2.46 0.63 -1.99 1.53 0.00 -0.59 -3.41 119.26 117.89 2jsc h ALA 19 Ca 0.00 -0.84 -0.61 0.00 0.00 0.00 0.00 54.91 53.47 2jsc h ALA 19 Cb 0.70 0.15 0.13 0.00 0.00 0.00 0.00 17.79 18.77 2jsc h ALA 19 CO 0.00 0.98 -0.18 -0.25 0.00 0.00 0.00 179.25 179.81 2jsc n ASP 20 N -3.07 0.03 0.00 0.00 8.00 -0.22 -4.78 116.55 116.51 2jsc n ASP 20 Ca -0.06 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.46 2jsc n ASP 20 Cb 0.86 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2jsc n ASP 20 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2jsc n PRO 21 N 0.57 0.00 -0.26 -0.24 -0.04 -1.26 -0.73 135.00 133.05 2jsc n PRO 21 Ca 0.11 0.27 0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2jsc n PRO 21 Cb 0.36 -1.24 0.24 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.15 -0.07 0.52 2.02 -1.97 -3.24 112.91 111.33 2jsc h THR 22 Ca 0.00 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 2jsc h THR 22 Cb 0.00 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 2jsc h THR 22 CO 0.00 0.19 -0.58 -0.09 0.37 0.00 0.00 175.52 175.41 2jsc h ARG 23 N 1.04 0.21 -0.22 6.66 2.43 -1.84 0.32 114.38 122.98 2jsc h ARG 23 Ca 0.32 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2jsc h ARG 23 Cb -0.01 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2jsc h ARG 23 CO -0.09 0.73 0.04 0.00 -1.51 0.00 0.00 179.97 179.14 2jsc h ARG 25 N 0.17 0.00 0.25 0.00 2.43 -1.40 -1.88 114.38 113.95 2jsc h ARG 25 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2jsc h ARG 25 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2jsc h ARG 25 CO 0.00 0.00 -0.12 0.82 -1.51 0.00 0.00 179.97 179.16 2jsc h ILE 26 N 0.00 0.60 -0.39 1.20 2.04 -0.26 -3.36 117.51 117.34 2jsc h ILE 26 Ca 0.00 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 64.98 2jsc h ILE 26 Cb 0.10 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2jsc h ILE 26 CO 0.00 0.15 0.26 -0.07 0.00 0.00 0.00 178.15 178.49 2jsc h LEU 27 N -0.92 0.36 -2.22 1.44 3.38 -1.30 0.79 115.31 116.84 2jsc h LEU 27 Ca -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jsc h LEU 27 Cb 0.50 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jsc h LEU 27 CO 0.06 0.25 -0.02 -0.37 0.09 0.00 0.00 178.44 178.45 2jsc h VAL 28 N 0.42 0.74 -0.48 1.22 -1.51 -1.66 -1.66 116.25 113.32 2jsc h VAL 28 Ca 0.16 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 2jsc h VAL 28 Cb 0.11 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2jsc h VAL 28 CO -0.04 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.32 2jsc n ALA 29 N -2.41 2.33 -0.02 5.19 0.00 0.20 -4.20 120.51 121.60 2jsc n ALA 29 Ca -0.03 -1.13 0.05 0.00 0.00 0.00 0.00 53.44 52.33 2jsc n ALA 29 Cb 0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 2jsc n ALA 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jsc n LEU 30 N 1.20 0.00 0.41 0.00 -0.00 -0.66 -2.77 117.00 115.18 2jsc n LEU 30 Ca 0.18 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 56.00 2jsc n LEU 30 Cb 0.54 0.08 -0.10 0.00 -0.00 0.00 0.00 43.42 43.94 2jsc n LEU 30 CO 0.13 0.08 0.56 -0.07 -0.00 0.00 0.00 177.39 178.09 2jsc h LEU 31 N 0.00 -1.15 -3.77 -1.96 3.38 -1.63 -3.09 115.31 107.09 2jsc h LEU 31 Ca -0.09 0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 2jsc h LEU 31 Cb 1.00 0.34 -0.25 0.00 0.09 0.00 0.00 40.66 41.84 2jsc h LEU 31 CO 0.00 -0.71 0.66 0.47 0.09 0.00 0.00 178.44 178.95 2jsc n ASP 32 N -5.60 5.68 0.00 -0.43 9.92 -1.26 -4.80 116.55 120.06 2jsc n ASP 32 Ca -0.14 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 50.65 2jsc n ASP 32 Cb 0.48 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jsc n GLY 33 N -0.69 0.48 1.75 0.44 0.00 -1.12 -4.94 105.19 101.11 2jsc n GLY 33 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 0.00 0.00 1.61 0.24 -1.25 -4.82 118.33 114.11 2jsc n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 34 Cb 0.00 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N 0.00 1.11 0.23 0.00 2.02 -1.26 -3.90 117.35 115.54 2jsc s TYR 36 Ca 0.00 -0.75 -0.32 0.00 -0.37 0.00 0.00 57.07 55.63 2jsc s TYR 36 Cb 0.00 -0.59 -0.12 0.00 -0.40 0.00 0.00 41.96 40.85 2jsc s TYR 36 CO 0.00 0.00 1.69 -0.35 -1.57 0.00 0.00 175.55 175.32 2jsc n PRO 37 N 0.14 2.73 -0.59 -1.71 -0.04 -1.25 -1.92 135.00 132.36 2jsc n PRO 37 Ca -0.13 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2jsc n PRO 37 Cb 0.59 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.51 0.83 0.26 0.55 0.00 -1.26 -4.86 105.19 104.22 2jsc n GLY 38 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 1.53 0.04 -0.91 1.61 -0.00 -1.81 -2.03 115.11 113.53 2jsc h GLN 39 Ca 0.00 -0.00 0.26 0.00 -0.00 0.00 0.00 58.65 58.91 2jsc h GLN 39 Cb 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.48 27.43 2jsc h GLN 39 CO 0.00 0.04 0.86 -0.07 -0.00 0.00 0.00 178.83 179.66 2jsc h LEU 40 N 0.04 0.00 -1.04 0.06 3.38 -1.89 -0.32 115.31 115.55 2jsc h LEU 40 Ca 0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2jsc h LEU 40 Cb 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 2jsc h LEU 40 CO -0.00 0.00 0.63 0.00 0.09 0.00 0.00 178.44 179.16 2jsc h ALA 41 N 1.14 1.50 -0.06 1.53 0.00 -1.60 0.14 119.26 121.91 2jsc h ALA 41 Ca 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 2jsc h ALA 41 Cb 2.14 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.70 2jsc h ALA 41 CO -0.00 0.30 -0.66 0.00 0.00 0.00 0.00 179.25 178.88 2jsc h ALA 42 N 1.51 0.16 -0.12 0.00 0.00 -1.28 -1.24 119.26 118.28 2jsc h ALA 42 Ca 0.46 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jsc h ALA 42 Cb 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jsc h ALA 42 CO -0.22 0.46 0.05 1.25 0.00 0.00 0.00 179.25 180.78 2jsc h HIS 43 N 0.14 0.15 0.00 0.00 6.17 -1.39 -2.72 115.15 117.50 2jsc h HIS 43 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.01 2jsc h HIS 43 Cb 1.33 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 31.21 2jsc h HIS 43 CO 0.12 0.13 -1.24 1.28 0.71 0.00 0.00 177.93 178.93 2jsc n LEU 44 N -4.49 0.51 0.00 0.26 4.77 0.42 -5.00 117.00 113.47 2jsc n LEU 44 Ca -0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2jsc n LEU 44 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2jsc n LEU 44 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2jsc n GLY 45 N 1.44 0.58 3.97 -0.72 0.00 -0.61 -5.03 105.19 104.81 2jsc n GLY 45 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2jsc n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jsc s LEU 46 N 0.00 3.32 0.34 0.99 1.43 -0.57 -4.95 118.68 119.24 2jsc s LEU 46 Ca 0.00 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 2jsc s LEU 46 Cb 0.00 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.20 2jsc s LEU 46 CO 0.00 -1.08 1.19 0.28 0.23 0.00 0.00 176.35 176.96 2jsc s THR 47 N -2.74 3.13 -0.75 5.49 -1.32 -1.26 -4.52 115.64 113.67 2jsc s THR 47 Ca 0.56 1.06 0.10 0.00 -1.21 0.00 0.00 61.69 62.20 2jsc s THR 47 Cb -0.10 -3.64 0.10 0.00 -1.51 0.00 0.00 72.50 67.35 2jsc s THR 47 CO 0.38 0.19 1.32 -2.11 -2.21 0.00 0.00 174.62 172.20 2jsc n ARG 48 N 0.61 0.05 0.18 7.08 1.85 -1.26 -1.13 116.66 124.04 2jsc n ARG 48 Ca 0.01 0.48 -0.10 0.00 -1.00 0.00 0.00 57.85 57.25 2jsc n ARG 48 Cb 0.45 -1.65 -0.05 0.00 -1.05 0.00 0.00 32.46 30.15 2jsc n ARG 48 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2jsc h SER 49 N 0.00 -0.44 -0.30 2.89 0.87 -1.98 -0.67 113.55 113.92 2jsc h SER 49 Ca 0.00 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2jsc h SER 49 Cb 0.08 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 2jsc h SER 49 CO 0.00 0.00 -0.01 -1.13 -0.53 0.00 0.00 176.83 175.16 2jsc h ASN 50 N -1.07 -0.15 -0.54 6.23 -0.73 -1.85 -0.61 115.58 116.85 2jsc h ASN 50 Ca -0.05 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2jsc h ASN 50 Cb 0.48 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.18 2jsc h ASN 50 CO 0.09 -0.04 0.36 0.58 -0.37 0.00 0.00 177.43 178.04 2jsc h VAL 51 N 0.07 1.14 -0.22 2.57 2.07 -1.25 -2.84 116.25 117.79 2jsc h VAL 51 Ca 0.14 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 2jsc h VAL 51 Cb 0.20 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2jsc h VAL 51 CO -0.25 0.14 -0.43 0.28 0.02 0.00 0.00 177.57 177.33 2jsc h SER 52 N 0.74 0.57 -0.66 0.57 0.02 -0.65 -1.21 113.55 112.93 2jsc h SER 52 Ca 0.20 -0.26 0.13 0.00 -0.84 0.00 0.00 61.79 61.02 2jsc h SER 52 Cb -0.08 -0.16 -0.10 0.00 0.14 0.00 0.00 62.40 62.20 2jsc h SER 52 CO -0.04 0.93 0.13 0.78 -1.14 0.00 0.00 176.83 177.49 2jsc h ASN 53 N 0.44 -0.03 1.16 3.07 2.35 -0.99 -0.65 115.58 120.93 2jsc h ASN 53 Ca 0.03 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2jsc h ASN 53 Cb 0.93 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2jsc h ASN 53 CO 0.08 -0.02 -0.14 1.41 -1.65 0.00 0.00 177.43 177.11 2jsc n HIS 54 N -5.16 0.53 0.12 1.19 8.25 -1.08 -3.20 115.22 115.87 2jsc n HIS 54 Ca 0.11 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2jsc n HIS 54 Cb 0.38 -0.71 0.03 0.00 1.12 0.00 0.00 29.99 30.80 2jsc n HIS 54 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jsc h LEU 55 N 0.00 0.00 -0.56 2.41 3.38 0.08 -3.09 115.31 117.53 2jsc h LEU 55 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2jsc h LEU 55 Cb 0.65 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 2jsc h LEU 55 CO 0.00 0.63 -0.41 0.28 0.09 0.00 0.00 178.44 179.03 2jsc h SER 56 N 0.00 -1.40 -0.24 -0.43 0.02 -1.17 -0.85 113.55 109.49 2jsc h SER 56 Ca -0.01 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2jsc h SER 56 Cb 1.42 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.61 2jsc h SER 56 CO 0.08 -0.33 0.00 0.00 -1.14 0.00 0.00 176.83 175.44 2jsc h LEU 58 N 3.00 0.65 -0.33 0.00 5.85 -1.33 -2.86 115.31 120.29 2jsc h LEU 58 Ca 0.00 -0.93 -0.16 0.00 0.84 0.00 0.00 57.88 57.64 2jsc h LEU 58 Cb 0.66 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2jsc h LEU 58 CO 0.00 1.73 -0.74 0.03 -0.34 0.00 0.00 178.44 179.12 2jsc h ARG 59 N 0.05 0.00 0.42 1.25 3.08 -1.22 -0.29 114.38 117.66 2jsc h ARG 59 Ca -0.31 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 2jsc h ARG 59 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.11 2jsc h ARG 59 CO 0.19 0.74 -0.20 0.78 -1.07 0.00 0.00 179.97 180.41 2jsc h GLY 60 N 2.63 -0.59 0.43 0.04 0.00 -1.40 -3.16 103.07 101.02 2jsc h GLY 60 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2jsc h GLY 60 CO 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 176.54 176.42 2jsc n GLY 62 N -0.29 0.93 0.30 0.00 0.00 -1.16 -4.86 105.19 100.10 2jsc n GLY 62 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -8.46 0.99 3.38 -1.38 -3.40 115.31 106.44 2jsc h LEU 63 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2jsc h LEU 63 Cb 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.46 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 -4.67 1.67 -0.04 1.22 -7.23 -0.67 -2.41 120.40 108.28 2jsc s VAL 64 Ca -0.05 -0.95 0.06 0.00 -1.81 0.00 0.00 61.98 59.23 2jsc s VAL 64 Cb 0.15 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 2jsc s VAL 64 CO 0.56 0.43 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.86 2jsc s VAL 65 N -0.54 2.29 0.33 1.32 1.01 0.64 -4.29 120.40 121.15 2jsc s VAL 65 Ca 0.08 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 2jsc s VAL 65 Cb -0.08 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 2jsc s VAL 65 CO -0.00 0.58 1.03 0.00 0.00 0.00 0.00 175.10 176.70 2jsc s ALA 66 N -0.51 3.24 -0.11 5.51 0.00 -1.26 -1.55 121.76 127.09 2jsc s ALA 66 Ca 0.07 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 2jsc s ALA 66 Cb -0.11 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.85 2jsc s ALA 66 CO 0.01 -0.07 0.85 0.99 0.00 0.00 0.00 175.76 177.54 2jsc s THR 67 N -1.43 0.00 -0.11 0.00 2.01 -0.95 -4.97 115.64 110.18 2jsc s THR 67 Ca 0.50 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.24 2jsc s THR 67 Cb -0.25 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2jsc s THR 67 CO 0.32 0.00 0.83 -0.31 -0.69 0.00 0.00 174.62 174.76 2jsc s TYR 68 N -1.15 3.50 0.07 4.92 1.51 -1.26 0.14 117.35 125.07 2jsc s TYR 68 Ca -0.06 1.33 -0.15 0.00 -1.01 0.00 0.00 57.07 57.18 2jsc s TYR 68 Cb -0.00 -2.98 -0.19 0.00 -0.11 0.00 0.00 41.96 38.68 2jsc s TYR 68 CO 0.05 -0.12 1.23 1.05 -1.11 0.00 0.00 175.55 176.66 2jsc h GLU 69 N 7.09 0.66 0.00 -0.62 -0.00 -1.28 -3.47 114.58 116.96 2jsc h GLU 69 Ca -0.34 -0.59 0.00 0.00 -0.00 0.00 0.00 59.36 58.42 2jsc h GLU 69 Cb 1.16 0.14 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 2jsc h GLU 69 CO 0.80 1.20 0.00 0.41 -0.00 0.00 0.00 179.01 181.43 2jsc n GLY 70 N 0.84 0.50 0.00 1.06 0.00 -1.26 -4.95 105.19 101.39 2jsc n GLY 70 Ca -0.09 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 1.15 -3.84 1.61 3.00 -1.26 -5.08 116.66 112.24 2jsc n ARG 71 Ca 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 57.85 57.70 2jsc n ARG 71 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 32.46 31.28 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2jsc s GLN 72 N -2.38 1.22 0.44 -0.14 2.00 -1.26 -5.17 119.66 114.36 2jsc s GLN 72 Ca -0.02 -1.00 -0.16 0.00 -2.00 0.00 0.00 55.36 52.19 2jsc s GLN 72 Cb 0.05 0.44 -0.08 0.00 0.80 0.00 0.00 33.01 34.22 2jsc s GLN 72 CO 0.33 -0.48 0.88 0.54 -0.50 0.00 0.00 175.29 176.07 2jsc s VAL 73 N -3.91 4.59 0.12 1.34 0.11 -1.26 -0.81 120.40 120.59 2jsc s VAL 73 Ca 0.12 1.07 0.01 0.00 -2.93 0.00 0.00 61.98 60.25 2jsc s VAL 73 Cb 0.02 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2jsc s VAL 73 CO -0.03 -0.49 -0.02 0.00 -3.33 0.00 0.00 175.10 171.24 2jsc s ARG 74 N -3.65 0.90 -0.17 1.54 1.70 0.12 -3.83 118.95 115.56 2jsc s ARG 74 Ca 0.57 -1.40 -0.00 0.00 -0.47 0.00 0.00 55.73 54.43 2jsc s ARG 74 Cb -0.10 -0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.21 2jsc s ARG 74 CO 0.25 -0.11 -0.15 0.71 -1.08 0.00 0.00 175.30 174.92 2jsc s TYR 75 N -3.76 2.80 0.09 5.89 2.02 -1.26 -2.23 117.35 120.90 2jsc s TYR 75 Ca 0.17 -1.17 0.08 0.00 -0.37 0.00 0.00 57.07 55.78 2jsc s TYR 75 Cb 0.06 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 2jsc s TYR 75 CO -0.02 -0.56 -0.21 0.00 -1.57 0.00 0.00 175.55 173.19 2jsc s ALA 76 N 1.01 1.76 0.67 3.71 0.00 -0.60 -3.81 121.76 124.51 2jsc s ALA 76 Ca -0.02 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 2jsc s ALA 76 Cb -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2jsc s ALA 76 CO -0.03 0.36 1.26 -0.51 0.00 0.00 0.00 175.76 176.84 2jsc s LEU 77 N -1.77 3.50 0.52 0.00 1.02 -1.26 -0.26 118.68 120.42 2jsc s LEU 77 Ca 0.06 2.54 0.19 0.00 0.02 0.00 0.00 54.13 56.94 2jsc s LEU 77 Cb -0.10 -4.61 1.33 0.00 0.02 0.00 0.00 46.19 42.84 2jsc s LEU 77 CO 0.04 -2.09 2.13 0.00 0.02 0.00 0.00 176.35 176.45 2jsc h ALA 78 N 0.29 1.80 -1.83 4.21 0.00 -1.69 -3.44 119.26 118.60 2jsc h ALA 78 Ca -0.50 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.57 2jsc h ALA 78 Cb 1.32 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2jsc h ALA 78 CO 0.52 0.06 0.67 0.34 0.00 0.00 0.00 179.25 180.84 2jsc s ASP 79 N -6.83 -0.22 0.38 0.00 2.15 -1.26 -5.02 116.67 105.88 2jsc s ASP 79 Ca -0.05 -0.04 0.32 0.00 0.43 0.00 0.00 52.55 53.21 2jsc s ASP 79 Cb 0.16 0.26 1.23 0.00 -0.30 0.00 0.00 42.92 44.27 2jsc s ASP 79 CO 0.65 -0.43 1.18 -1.20 -0.17 0.00 0.00 175.17 175.20 2jsc n SER 80 N -0.21 0.07 0.33 -0.34 7.64 -1.26 -1.29 113.62 118.57 2jsc n SER 80 Ca -0.04 0.88 -0.17 0.00 1.01 0.00 0.00 58.87 60.55 2jsc n SER 80 Cb 0.60 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 63.28 2jsc n SER 80 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2jsc h HIS 81 N 0.00 -0.77 -0.59 1.43 6.17 -1.98 0.45 115.15 119.86 2jsc h HIS 81 Ca 0.69 -0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.66 2jsc h HIS 81 Cb 2.54 0.26 -0.02 0.00 2.52 0.00 0.00 27.41 32.71 2jsc h HIS 81 CO -0.00 -0.47 -0.01 -0.07 0.71 0.00 0.00 177.93 178.09 2jsc h LEU 82 N -0.81 1.01 -1.26 0.26 3.38 -1.61 -2.80 115.31 113.48 2jsc h LEU 82 Ca -0.08 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.66 2jsc h LEU 82 Cb 0.63 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2jsc h LEU 82 CO 0.13 1.07 0.53 0.00 0.09 0.00 0.00 178.44 180.26 2jsc h ALA 83 N 1.03 1.59 -0.23 1.53 0.00 -1.43 -2.14 119.26 119.61 2jsc h ALA 83 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2jsc h ALA 83 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jsc h ALA 83 CO 0.03 0.29 -0.04 0.07 0.00 0.00 0.00 179.25 179.60 2jsc h ARG 84 N 0.91 0.44 -0.36 0.00 0.11 -0.64 -0.91 114.38 113.92 2jsc h ARG 84 Ca 0.35 -0.16 -0.09 0.00 0.10 0.00 0.00 59.98 60.17 2jsc h ARG 84 Cb 0.20 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 2jsc h ARG 84 CO -0.12 0.66 -0.12 0.00 0.10 0.00 0.00 179.97 180.49 2jsc h ALA 85 N 0.76 0.50 0.00 0.08 0.00 -1.36 -1.74 119.26 117.51 2jsc h ALA 85 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2jsc h ALA 85 Cb 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jsc h ALA 85 CO 0.02 0.39 -0.08 1.25 0.00 0.00 0.00 179.25 180.83 2jsc h LEU 86 N 0.52 0.00 -1.62 0.00 7.12 -1.45 -0.10 115.31 119.76 2jsc h LEU 86 Ca 0.09 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.06 2jsc h LEU 86 Cb 0.65 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.77 2jsc h LEU 86 CO 0.04 0.08 -0.17 1.23 -0.13 0.00 0.00 178.44 179.49 2jsc h GLY 87 N 0.29 0.02 -3.45 3.75 0.00 -0.31 -0.32 103.07 103.06 2jsc h GLY 87 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2jsc h GLY 87 CO 0.01 0.01 0.15 -1.84 0.00 0.00 0.00 176.54 174.87 2jsc n GLU 88 N -4.32 4.04 0.00 4.80 0.28 -0.44 -4.97 120.64 120.02 2jsc n GLU 88 Ca -0.02 -3.11 0.00 0.00 -0.16 0.00 0.00 57.16 53.87 2jsc n GLU 88 Cb 0.24 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 30.91 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 0.06 0.00 0.09 -1.84 7.94 -0.13 -2.45 117.00 120.67 2jsc n LEU 89 Ca 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 2jsc n LEU 89 Cb 1.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.23 2jsc n LEU 89 CO 0.37 0.00 0.00 1.33 -1.11 0.00 0.00 177.39 177.98 2jsc n VAL 90 N 0.00 0.00 0.00 1.96 0.24 -0.21 -4.21 118.33 116.11 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 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2jsc n VAL 90 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2jsc n GLN 91 N -3.00 0.00 0.00 7.34 -0.06 -1.03 -4.82 117.38 115.82 2jsc n GLN 91 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2jsc n GLN 91 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 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 0.00 0.43 -1.95 1.69 3.14 -1.26 -4.72 118.33 115.65 2jsc n VAL 92 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 2jsc n VAL 92 Cb 0.00 -0.65 -0.04 0.00 -1.06 0.00 0.00 33.84 32.09 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 0.48 -0.45 -0.68 1.55 0.31 -1.26 -4.28 118.33 113.99 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 0.28 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 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 -2.33 -0.91 -4.75 7.52 4.32 -1.26 -5.06 117.00 114.53 2jsc n LEU 94 Ca -0.20 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.45 2jsc n LEU 94 Cb 0.63 -0.45 0.05 0.00 -1.62 0.00 0.00 43.42 42.03 2jsc n LEU 94 CO 0.26 0.00 0.78 0.00 -1.22 0.00 0.00 177.39 177.21 2jsc s ALA 95 N 0.00 2.43 0.23 -1.18 0.00 -1.26 -4.99 121.76 116.98 2jsc s ALA 95 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 2jsc s ALA 95 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 2jsc s ALA 95 CO 0.00 -1.33 0.96 0.08 0.00 0.00 0.00 175.76 175.48 2jsc s VAL 96 N -2.00 4.06 -2.00 0.00 1.01 -1.26 -4.96 120.40 115.25 2jsc s VAL 96 Ca 0.72 2.02 0.10 0.00 0.00 0.00 0.00 61.98 64.82 2jsc s VAL 96 Cb -0.25 -4.28 0.30 0.00 0.00 0.00 0.00 36.38 32.14 2jsc s VAL 96 CO 0.38 0.46 1.09 -0.67 0.00 0.00 0.00 175.10 176.37 2jsc n ASP 97 N 1.63 0.00 -4.61 3.32 2.03 -1.26 -4.68 116.55 112.98 2jsc n ASP 97 Ca -0.01 -0.80 -0.43 0.00 0.52 0.00 0.00 54.79 54.07 2jsc n ASP 97 Cb 0.47 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.85 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2jsc s THR 98 N -2.00 3.78 -0.35 5.18 -4.23 -1.26 -4.98 115.64 111.78 2jsc s THR 98 Ca 0.16 0.82 -0.29 0.00 -1.18 0.00 0.00 61.69 61.20 2jsc s THR 98 Cb 0.07 -3.95 0.01 0.00 1.34 0.00 0.00 72.50 69.97 2jsc s THR 98 CO 0.12 -0.54 1.31 -0.62 -0.54 0.00 0.00 174.62 174.35 2jsc s ASP 99 N 4.42 6.58 0.12 3.99 2.15 -1.26 -5.00 116.67 127.66 2jsc s ASP 99 Ca 0.68 1.01 0.06 0.00 0.43 0.00 0.00 52.55 54.73 2jsc s ASP 99 Cb -0.19 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2jsc s ASP 99 CO 0.31 -1.20 -0.13 -1.10 -0.17 0.00 0.00 175.17 172.88 2jsc s GLN 100 N 4.41 0.99 0.52 4.34 -1.52 -1.26 -5.04 119.66 122.09 2jsc s GLN 100 Ca 0.56 -1.22 0.34 0.00 -1.95 0.00 0.00 55.36 53.10 2jsc s GLN 100 Cb -0.15 -0.85 1.54 0.00 -0.22 0.00 0.00 33.01 33.34 2jsc s GLN 100 CO 0.26 0.16 2.02 -1.00 -0.25 0.00 0.00 175.29 176.48 2jsc h PRO 101 N 3.55 0.00 0.00 2.91 0.13 -1.94 -3.48 132.00 133.16 2jsc h PRO 101 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jsc h PRO 101 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jsc h PRO 101 CO 0.51 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 2jsc n VAL 103 N 7.23 0.71 -2.33 0.00 0.31 -1.26 -4.71 118.33 118.29 2jsc n VAL 103 Ca 0.00 -0.21 0.02 0.00 -0.01 0.00 0.00 64.34 64.14 2jsc n VAL 103 Cb 0.00 -1.48 0.07 0.00 -0.91 0.00 0.00 33.84 31.52 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 -3.39 2.86 -2.39 3.52 0.00 -1.26 -5.06 120.51 114.78 2jsc n ALA 104 Ca -0.25 -2.72 -0.14 0.00 0.00 0.00 0.00 53.44 50.33 2jsc n ALA 104 Cb 0.70 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.57 1.48 0.00 0.00 2.12 -1.26 -5.29 118.70 114.18 2jsc s GLU 105 Ca 0.35 -1.73 0.00 0.00 0.36 0.00 0.00 54.97 53.95 2jsc s GLU 105 Cb 0.38 0.32 0.00 0.00 0.26 0.00 0.00 34.13 35.09 2jsc s GLU 105 CO -0.11 -0.54 0.00 2.89 -0.54 0.00 0.00 175.26 176.96