#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 0.37 0.40 0.00 6.46 -2.05 -2.83 115.31 117.66 2jsc h LEU 11 Ca 0.00 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2jsc h LEU 11 Cb 0.00 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2jsc h LEU 11 CO 0.00 0.58 -0.50 0.00 -0.62 0.00 0.00 178.44 177.89 2jsc h ALA 12 N 0.81 -1.11 -0.50 1.25 0.00 -2.04 0.23 119.26 117.89 2jsc h ALA 12 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jsc h ALA 12 Cb 0.38 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jsc h ALA 12 CO 0.01 -1.16 0.25 0.07 0.00 0.00 0.00 179.25 178.42 2jsc h ARG 13 N -0.93 0.69 0.67 0.00 0.11 -1.99 -1.79 114.38 111.15 2jsc h ARG 13 Ca -0.05 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 2jsc h ARG 13 Cb 0.83 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.78 2jsc h ARG 13 CO -0.12 0.53 -0.34 1.25 0.10 0.00 0.00 179.97 181.39 2jsc h LEU 14 N 0.70 -0.82 -0.65 0.08 7.12 -1.21 -3.18 115.31 117.35 2jsc h LEU 14 Ca 0.18 0.03 -0.15 0.00 0.13 0.00 0.00 57.88 58.07 2jsc h LEU 14 Cb 0.05 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 2jsc h LEU 14 CO -0.03 -0.56 -0.65 1.23 -0.13 0.00 0.00 178.44 178.30 2jsc h GLY 15 N -0.92 0.12 1.81 3.75 0.00 -0.83 -1.73 103.07 105.27 2jsc h GLY 15 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jsc h GLY 15 CO 0.14 0.15 0.00 -0.96 0.00 0.00 0.00 176.54 175.87 2jsc n ARG 16 N -3.80 0.07 0.00 4.80 -4.01 -0.68 -0.44 116.66 112.60 2jsc n ARG 16 Ca -0.02 0.25 0.05 0.00 -1.04 0.00 0.00 57.85 57.09 2jsc n ARG 16 Cb 0.65 -1.50 -0.02 0.00 -3.04 0.00 0.00 32.46 28.55 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jsc n ALA 17 N -1.40 2.92 -0.07 2.89 0.00 -0.82 -4.67 120.51 119.35 2jsc n ALA 17 Ca 0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 2jsc n ALA 17 Cb 0.12 -0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 2jsc n ALA 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jsc n LEU 18 N -0.54 2.27 -1.27 0.00 7.94 -0.59 -4.64 117.00 120.17 2jsc n LEU 18 Ca 0.03 0.04 -0.01 0.00 -1.11 0.00 0.00 56.01 54.96 2jsc n LEU 18 Cb 0.18 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2jsc n LEU 18 CO 0.14 0.80 0.75 0.00 -1.11 0.00 0.00 177.39 177.98 2jsc n ALA 19 N -3.04 3.29 -2.44 1.96 0.00 0.42 -4.41 120.51 116.28 2jsc n ALA 19 Ca -0.37 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 52.77 2jsc n ALA 19 Cb 1.04 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 1.38 5.61 0.00 0.00 1.11 -1.26 -5.03 116.67 118.48 2jsc s ASP 20 Ca 0.02 -0.36 0.00 0.00 0.18 0.00 0.00 52.55 52.38 2jsc s ASP 20 Cb 0.02 -1.05 0.00 0.00 1.07 0.00 0.00 42.92 42.96 2jsc s ASP 20 CO 0.00 -0.43 0.00 -0.81 1.18 0.00 0.00 175.17 175.11 2jsc n PRO 21 N -1.54 0.00 -0.35 8.23 -0.04 -1.26 -3.64 135.00 136.40 2jsc n PRO 21 Ca -0.00 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 63.70 2jsc n PRO 21 Cb 0.59 0.00 0.49 0.00 -0.04 0.00 0.00 33.50 34.54 2jsc n PRO 21 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jsc h THR 22 N 0.00 0.42 -0.15 0.52 2.02 -1.99 -2.13 112.91 111.59 2jsc h THR 22 Ca 0.00 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2jsc h THR 22 Cb 0.00 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2jsc h THR 22 CO 0.00 0.07 -0.29 -0.09 0.37 0.00 0.00 175.52 175.58 2jsc h ARG 23 N 0.38 0.28 0.21 6.66 2.43 -1.92 0.18 114.38 122.60 2jsc h ARG 23 Ca 0.67 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.73 2jsc h ARG 23 Cb 1.64 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 2jsc h ARG 23 CO -0.43 0.55 -0.10 0.00 -1.51 0.00 0.00 179.97 178.49 2jsc h ARG 25 N -0.32 0.38 -0.28 0.00 3.08 -1.41 -1.61 114.38 114.22 2jsc h ARG 25 Ca -0.03 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2jsc h ARG 25 Cb 0.25 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 2jsc h ARG 25 CO 0.05 0.25 -0.34 0.82 -1.07 0.00 0.00 179.97 179.68 2jsc h ILE 26 N 0.39 0.00 -0.74 2.04 2.04 -0.92 -2.88 117.51 117.44 2jsc h ILE 26 Ca 0.35 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.20 2jsc h ILE 26 Cb 0.48 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 2jsc h ILE 26 CO -0.36 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.17 2jsc h LEU 27 N -0.22 0.89 -2.07 1.44 3.38 -1.06 0.67 115.31 118.34 2jsc h LEU 27 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jsc h LEU 27 Cb 0.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jsc h LEU 27 CO -0.38 0.69 -0.08 -0.37 0.09 0.00 0.00 178.44 178.39 2jsc h VAL 28 N 1.01 0.62 0.00 1.22 -1.51 -1.30 -2.13 116.25 114.17 2jsc h VAL 28 Ca 0.27 -0.36 -0.18 0.00 -1.23 0.00 0.00 66.70 65.20 2jsc h VAL 28 Cb -0.03 1.22 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 2jsc h VAL 28 CO -0.05 0.08 -1.38 0.00 -1.23 0.00 0.00 177.57 174.99 2jsc h ALA 29 N 1.92 0.67 -0.76 5.19 0.00 -1.05 -3.40 119.26 121.83 2jsc h ALA 29 Ca -0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 54.91 53.96 2jsc h ALA 29 Cb 0.22 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jsc h ALA 29 CO 0.01 1.00 0.29 1.25 0.00 0.00 0.00 179.25 181.80 2jsc h LEU 30 N 0.00 1.05 -0.98 0.00 7.12 -0.21 0.10 115.31 122.40 2jsc h LEU 30 Ca -0.17 -0.17 0.31 0.00 0.13 0.00 0.00 57.88 57.98 2jsc h LEU 30 Cb 1.63 -0.27 -0.18 0.00 -0.53 0.00 0.00 40.66 41.32 2jsc h LEU 30 CO 0.05 0.94 0.21 -0.07 -0.13 0.00 0.00 178.44 179.44 2jsc h LEU 31 N 1.10 -0.18 -2.96 2.25 3.38 -1.76 0.20 115.31 117.36 2jsc h LEU 31 Ca 0.25 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2jsc h LEU 31 Cb 0.23 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2jsc h LEU 31 CO -0.02 -0.34 0.00 -0.67 0.09 0.00 0.00 178.44 177.50 2jsc n ASP 32 N -5.38 2.88 -0.11 -0.43 2.03 -1.04 -4.67 116.55 109.83 2jsc n ASP 32 Ca 0.27 -2.17 0.03 0.00 0.52 0.00 0.00 54.79 53.44 2jsc n ASP 32 Cb 0.89 -0.24 -0.00 0.00 -0.72 0.00 0.00 41.12 41.05 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 0.15 -0.20 2.92 0.27 0.00 0.53 -4.94 105.19 103.91 2jsc n GLY 33 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.39 0.00 0.10 1.61 0.24 -0.19 -4.32 118.33 115.39 2jsc n VAL 34 Ca 0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2jsc n VAL 34 Cb 0.11 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.88 -0.40 0.21 0.00 -0.85 -1.26 -4.14 117.35 109.02 2jsc s TYR 36 Ca 0.00 0.14 -0.32 0.00 -0.52 0.00 0.00 57.07 56.36 2jsc s TYR 36 Cb 0.00 0.60 -0.13 0.00 0.38 0.00 0.00 41.96 42.81 2jsc s TYR 36 CO 0.00 -0.89 1.62 -0.35 -1.52 0.00 0.00 175.55 174.41 2jsc n PRO 37 N -0.38 2.46 -0.87 -3.49 -0.04 -1.25 -1.37 135.00 130.06 2jsc n PRO 37 Ca -0.12 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2jsc n PRO 37 Cb 0.63 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 3.29 0.63 0.34 0.55 0.00 -1.26 -4.87 105.19 103.87 2jsc n GLY 38 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 1.84 0.74 -0.01 1.61 -0.00 -1.59 -2.22 115.11 115.49 2jsc h GLN 39 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2jsc h GLN 39 Cb 0.05 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.48 27.37 2jsc h GLN 39 CO 0.00 0.49 0.04 -0.07 -0.00 0.00 0.00 178.83 179.28 2jsc h LEU 40 N 0.76 0.00 -1.37 0.06 3.38 -1.89 -2.39 115.31 113.86 2jsc h LEU 40 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2jsc h LEU 40 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jsc h LEU 40 CO -0.08 0.00 0.22 0.00 0.09 0.00 0.00 178.44 178.68 2jsc h ALA 41 N 1.94 1.52 -0.12 1.53 0.00 -1.58 0.57 119.26 123.12 2jsc h ALA 41 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2jsc h ALA 41 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jsc h ALA 41 CO -0.00 0.39 -0.26 0.00 0.00 0.00 0.00 179.25 179.38 2jsc h ALA 42 N 1.60 0.19 -0.77 0.00 0.00 -1.63 -1.50 119.26 117.16 2jsc h ALA 42 Ca 0.16 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2jsc h ALA 42 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2jsc h ALA 42 CO -0.02 0.18 0.51 0.45 0.00 0.00 0.00 179.25 180.37 2jsc h HIS 43 N -0.04 0.93 0.00 0.00 -0.00 -1.47 -3.22 115.15 111.34 2jsc h HIS 43 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2jsc h HIS 43 Cb 0.86 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 2jsc h HIS 43 CO 0.11 0.55 -1.59 1.28 -0.00 0.00 0.00 177.93 178.28 2jsc n LEU 44 N -4.44 0.38 0.00 2.43 4.77 0.14 -4.99 117.00 115.29 2jsc n LEU 44 Ca 0.09 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2jsc n LEU 44 Cb 0.09 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2jsc n LEU 44 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2jsc n GLY 45 N 1.34 0.38 3.62 -0.72 0.00 -0.58 -5.02 105.19 104.21 2jsc n GLY 45 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 3.22 0.31 0.99 1.43 -1.11 -5.01 118.68 118.50 2jsc s LEU 46 Ca 0.00 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 2jsc s LEU 46 Cb 0.00 -1.93 -0.12 0.00 0.03 0.00 0.00 46.19 44.17 2jsc s LEU 46 CO 0.00 0.22 1.50 1.07 0.23 0.00 0.00 176.35 179.37 2jsc n THR 47 N 0.99 1.35 -0.04 5.49 5.66 -1.26 -4.27 114.28 122.20 2jsc n THR 47 Ca -0.13 -0.34 0.09 0.00 -3.05 0.00 0.00 64.05 60.62 2jsc n THR 47 Cb 0.52 -1.84 0.48 0.00 -1.55 0.00 0.00 70.33 67.95 2jsc n THR 47 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2jsc h ARG 48 N 4.00 0.43 -0.62 1.09 0.11 -1.91 0.07 114.38 117.55 2jsc h ARG 48 Ca -0.47 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.56 2jsc h ARG 48 Cb 1.24 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.20 2jsc h ARG 48 CO 0.73 0.29 0.32 0.77 0.10 0.00 0.00 179.97 182.18 2jsc h SER 49 N 0.44 0.78 0.30 0.08 0.02 -1.96 -1.65 113.55 111.57 2jsc h SER 49 Ca 0.22 -0.11 -0.33 0.00 -0.84 0.00 0.00 61.79 60.73 2jsc h SER 49 Cb 0.32 -0.20 0.04 0.00 0.14 0.00 0.00 62.40 62.69 2jsc h SER 49 CO -0.06 0.67 -1.47 -1.13 -1.14 0.00 0.00 176.83 173.70 2jsc h ASN 50 N 0.84 0.81 -0.85 3.07 -1.24 -1.52 -3.00 115.58 113.68 2jsc h ASN 50 Ca 0.22 -0.87 0.00 0.00 0.71 0.00 0.00 56.30 56.36 2jsc h ASN 50 Cb 0.07 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 2jsc h ASN 50 CO -0.03 1.68 0.55 0.58 -1.29 0.00 0.00 177.43 178.91 2jsc h VAL 51 N 0.14 1.23 0.00 2.57 2.07 -1.08 -2.44 116.25 118.74 2jsc h VAL 51 Ca -0.25 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2jsc h VAL 51 Cb 2.16 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2jsc h VAL 51 CO 0.27 0.23 -0.06 0.28 0.02 0.00 0.00 177.57 178.31 2jsc h SER 52 N 1.17 0.00 -0.56 0.57 0.02 -1.33 -2.98 113.55 110.43 2jsc h SER 52 Ca 0.31 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 2jsc h SER 52 Cb -0.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 2jsc h SER 52 CO -0.06 0.06 0.29 -1.13 -1.14 0.00 0.00 176.83 174.84 2jsc h ASN 53 N 0.00 0.42 0.70 3.07 -1.24 -1.29 0.14 115.58 117.39 2jsc h ASN 53 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2jsc h ASN 53 Cb 0.54 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.54 2jsc h ASN 53 CO 0.01 0.28 0.00 1.41 -1.29 0.00 0.00 177.43 177.84 2jsc n HIS 54 N -4.86 0.73 0.10 0.67 8.25 -1.13 -2.65 115.22 116.33 2jsc n HIS 54 Ca 0.06 0.29 -0.01 0.00 -0.26 0.00 0.00 57.72 57.79 2jsc n HIS 54 Cb 0.15 -0.96 -0.04 0.00 1.12 0.00 0.00 29.99 30.26 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 -0.61 2.41 3.38 -0.94 -3.25 115.31 116.31 2jsc h LEU 55 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2jsc h LEU 55 Cb 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 2jsc h LEU 55 CO 0.00 0.70 -0.19 -1.28 0.09 0.00 0.00 178.44 177.75 2jsc h SER 56 N 0.00 -0.70 1.10 -0.43 0.87 -1.22 -1.02 113.55 112.15 2jsc h SER 56 Ca -0.03 0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 2jsc h SER 56 Cb 1.56 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 63.93 2jsc h SER 56 CO 0.09 -0.23 -0.94 0.00 -0.53 0.00 0.00 176.83 175.21 2jsc h LEU 58 N 0.00 1.02 -0.27 0.00 5.85 -1.38 0.20 115.31 120.74 2jsc h LEU 58 Ca -0.06 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2jsc h LEU 58 Cb 1.31 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2jsc h LEU 58 CO 0.03 0.69 -0.44 0.03 -0.34 0.00 0.00 178.44 178.41 2jsc h ARG 59 N 1.18 0.00 0.00 1.25 3.08 -1.28 -1.88 114.38 116.73 2jsc h ARG 59 Ca 0.38 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.41 2jsc h ARG 59 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2jsc h ARG 59 CO -0.12 0.44 -0.17 0.78 -1.07 0.00 0.00 179.97 179.83 2jsc h GLY 60 N 3.13 0.00 1.20 0.04 0.00 -1.17 -3.30 103.07 102.98 2jsc h GLY 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 60 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 2jsc n GLY 62 N -0.58 0.61 0.27 0.00 0.00 -1.18 -4.84 105.19 99.46 2jsc n GLY 62 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 0.73 -8.83 0.99 3.38 -1.66 -3.41 115.31 106.51 2jsc h LEU 63 Ca 0.00 -0.23 -0.67 0.00 0.09 0.00 0.00 57.88 57.07 2jsc h LEU 63 Cb 0.06 -0.20 -0.24 0.00 0.09 0.00 0.00 40.66 40.37 2jsc h LEU 63 CO 0.00 0.89 -0.75 0.68 0.09 0.00 0.00 178.44 179.35 2jsc s VAL 64 N -4.74 3.21 -0.01 1.22 -7.23 -0.90 -1.25 120.40 110.70 2jsc s VAL 64 Ca -0.09 -0.64 0.06 0.00 -1.81 0.00 0.00 61.98 59.50 2jsc s VAL 64 Cb 0.14 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2jsc s VAL 64 CO 0.82 0.56 -0.19 -0.69 -0.31 0.00 0.00 175.10 175.29 2jsc s VAL 65 N -0.29 2.65 0.35 1.32 1.01 0.43 -4.29 120.40 121.57 2jsc s VAL 65 Ca 0.03 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 2jsc s VAL 65 Cb -0.13 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 2jsc s VAL 65 CO 0.03 0.50 1.14 0.00 0.00 0.00 0.00 175.10 176.77 2jsc s ALA 66 N -0.76 3.28 0.02 5.51 0.00 -1.26 -1.08 121.76 127.47 2jsc s ALA 66 Ca 0.12 0.94 0.03 0.00 0.00 0.00 0.00 51.96 53.05 2jsc s ALA 66 Cb -0.10 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2jsc s ALA 66 CO 0.02 -0.36 -0.09 0.99 0.00 0.00 0.00 175.76 176.32 2jsc s THR 67 N -1.32 0.66 -0.61 0.00 2.01 -0.33 -4.94 115.64 111.11 2jsc s THR 67 Ca 0.51 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.54 2jsc s THR 67 Cb -0.31 -0.63 0.04 0.00 0.01 0.00 0.00 72.50 71.61 2jsc s THR 67 CO 0.40 -0.07 1.08 -0.47 -0.69 0.00 0.00 174.62 174.87 2jsc s TYR 68 N -0.74 2.62 0.00 4.92 5.04 -1.26 -0.26 117.35 127.66 2jsc s TYR 68 Ca -0.02 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 2jsc s TYR 68 Cb -0.06 -4.34 0.00 0.00 0.35 0.00 0.00 41.96 37.90 2jsc s TYR 68 CO 0.00 -1.61 0.00 -0.85 -1.34 0.00 0.00 175.55 171.75 2jsc n GLU 69 N 8.16 0.79 0.27 4.97 -0.00 -0.60 -4.94 120.64 129.29 2jsc n GLU 69 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.16 57.29 2jsc n GLU 69 Cb 0.48 0.00 0.72 0.00 -0.00 0.00 0.00 31.44 32.63 2jsc n GLU 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2jsc h GLY 70 N -0.05 0.00 -0.45 -1.84 0.00 -1.96 -3.36 103.07 95.41 2jsc h GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 70 CO 0.00 0.00 -0.02 -2.13 0.00 0.00 0.00 176.54 174.39 2jsc n ARG 71 N -4.27 0.00 -4.15 4.80 3.00 -1.26 -5.15 116.66 109.63 2jsc n ARG 71 Ca -0.03 -0.07 -0.14 0.00 -0.00 0.00 0.00 57.85 57.61 2jsc n ARG 71 Cb 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 32.46 32.45 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 0.00 1.56 0.09 -0.14 2.00 -1.26 -5.15 119.66 116.76 2jsc s GLN 72 Ca 0.00 -1.67 -0.21 0.00 -2.00 0.00 0.00 55.36 51.48 2jsc s GLN 72 Cb 0.00 0.36 -0.07 0.00 0.80 0.00 0.00 33.01 34.11 2jsc s GLN 72 CO 0.00 -0.59 0.64 0.54 -0.50 0.00 0.00 175.29 175.38 2jsc s VAL 73 N -3.71 4.65 0.33 1.34 0.11 -1.26 -1.56 120.40 120.29 2jsc s VAL 73 Ca 0.34 1.38 0.08 0.00 -2.93 0.00 0.00 61.98 60.86 2jsc s VAL 73 Cb 0.03 -3.98 -0.06 0.00 -1.53 0.00 0.00 36.38 30.83 2jsc s VAL 73 CO 0.17 0.52 -0.07 0.00 -3.33 0.00 0.00 175.10 172.39 2jsc s ARG 74 N -0.97 1.73 0.16 1.54 1.70 0.64 -3.90 118.95 119.85 2jsc s ARG 74 Ca 0.32 -1.90 0.09 0.00 -0.47 0.00 0.00 55.73 53.76 2jsc s ARG 74 Cb -0.20 -1.48 -0.04 0.00 -0.57 0.00 0.00 34.95 32.65 2jsc s ARG 74 CO 0.21 0.08 -0.11 0.71 -1.08 0.00 0.00 175.30 175.11 2jsc s TYR 75 N -2.78 2.64 -0.04 5.89 2.02 -1.26 -1.18 117.35 122.64 2jsc s TYR 75 Ca 0.32 -0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 2jsc s TYR 75 Cb 0.04 -1.32 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2jsc s TYR 75 CO 0.15 0.48 0.15 0.00 -1.57 0.00 0.00 175.55 174.75 2jsc s ALA 76 N -1.53 -0.36 0.42 3.71 0.00 -0.24 -4.32 121.76 119.44 2jsc s ALA 76 Ca 0.23 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 2jsc s ALA 76 Cb -0.09 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.79 2jsc s ALA 76 CO 0.14 -0.12 1.10 -0.11 0.00 0.00 0.00 175.76 176.77 2jsc n LEU 77 N 2.48 3.08 0.28 0.00 7.94 -1.26 -0.43 117.00 129.08 2jsc n LEU 77 Ca -0.16 1.06 -0.17 0.00 -1.11 0.00 0.00 56.01 55.63 2jsc n LEU 77 Cb 0.58 -1.40 -0.09 0.00 0.53 0.00 0.00 43.42 43.04 2jsc n LEU 77 CO 0.21 -1.20 0.52 0.00 -1.11 0.00 0.00 177.39 175.81 2jsc h ALA 78 N 1.72 -1.13 -2.63 1.96 0.00 -1.41 -3.44 119.26 114.33 2jsc h ALA 78 Ca -0.45 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 2jsc h ALA 78 Cb 1.32 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 19.68 2jsc h ALA 78 CO 0.58 -1.16 -0.35 0.34 0.00 0.00 0.00 179.25 178.67 2jsc s ASP 79 N -4.16 0.06 0.26 0.00 2.15 -1.26 -4.99 116.67 108.73 2jsc s ASP 79 Ca -0.16 -0.92 0.19 0.00 0.43 0.00 0.00 52.55 52.09 2jsc s ASP 79 Cb 0.04 0.43 0.89 0.00 -0.30 0.00 0.00 42.92 43.98 2jsc s ASP 79 CO 0.55 -0.89 0.94 -1.20 -0.17 0.00 0.00 175.17 174.40 2jsc n SER 80 N -0.22 0.13 -0.00 -0.34 7.64 -1.26 -1.57 113.62 118.00 2jsc n SER 80 Ca -0.07 0.84 -0.06 0.00 1.01 0.00 0.00 58.87 60.60 2jsc n SER 80 Cb 0.63 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 2jsc n SER 80 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2jsc h HIS 81 N 0.00 -0.61 -0.07 1.43 3.86 -1.99 0.65 115.15 118.42 2jsc h HIS 81 Ca 0.53 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.64 2jsc h HIS 81 Cb 1.69 0.27 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 2jsc h HIS 81 CO -0.00 -0.21 -0.50 -0.07 0.86 0.00 0.00 177.93 178.01 2jsc h LEU 82 N -0.22 0.19 -0.74 2.43 3.38 -1.71 -2.01 115.31 116.63 2jsc h LEU 82 Ca 0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2jsc h LEU 82 Cb 0.26 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jsc h LEU 82 CO -0.16 0.66 0.27 0.00 0.09 0.00 0.00 178.44 179.30 2jsc h ALA 83 N 1.35 0.96 0.31 1.53 0.00 -1.36 -0.02 119.26 122.03 2jsc h ALA 83 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jsc h ALA 83 Cb 0.93 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jsc h ALA 83 CO 0.07 0.60 -0.15 -0.09 0.00 0.00 0.00 179.25 179.69 2jsc h ARG 84 N 1.07 -0.40 -0.13 0.00 9.65 -0.85 -0.53 114.38 123.20 2jsc h ARG 84 Ca 0.24 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.12 2jsc h ARG 84 Cb 0.24 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 2jsc h ARG 84 CO -0.02 -0.06 -0.07 0.00 2.80 0.00 0.00 179.97 182.63 2jsc h ALA 85 N -0.41 1.65 0.20 2.80 0.00 -1.17 0.94 119.26 123.27 2jsc h ALA 85 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jsc h ALA 85 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jsc h ALA 85 CO 0.07 0.26 -0.10 1.25 0.00 0.00 0.00 179.25 180.73 2jsc h LEU 86 N 0.19 -0.23 -1.48 0.00 6.46 -1.13 -3.27 115.31 115.85 2jsc h LEU 86 Ca 0.04 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.46 2jsc h LEU 86 Cb 0.25 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2jsc h LEU 86 CO 0.01 0.29 -0.19 1.23 -0.62 0.00 0.00 178.44 179.16 2jsc h GLY 87 N -0.86 0.00 2.00 3.75 0.00 0.07 0.16 103.07 108.19 2jsc h GLY 87 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 2jsc h GLY 87 CO 0.04 0.00 -0.37 -2.09 0.00 0.00 0.00 176.54 174.12 2jsc h GLU 88 N 0.00 0.00 -2.56 4.80 4.57 -1.05 -3.50 114.58 116.83 2jsc h GLU 88 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jsc h GLU 88 Cb 0.56 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2jsc h GLU 88 CO 0.02 0.37 -0.18 -0.11 -1.18 0.00 0.00 179.01 177.94 2jsc n LEU 89 N -3.40 -2.76 0.00 1.64 7.94 0.04 -4.87 117.00 115.59 2jsc n LEU 89 Ca 0.01 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2jsc n LEU 89 Cb 0.55 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2jsc n LEU 89 CO 0.37 -0.51 0.13 1.33 -1.11 0.00 0.00 177.39 177.59 2jsc n VAL 90 N 0.30 0.00 -0.41 1.96 0.24 -1.23 -4.77 118.33 114.42 2jsc n VAL 90 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2jsc n VAL 90 Cb 0.01 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 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 -0.72 0.00 -0.16 7.34 1.13 -1.26 -4.83 117.38 118.89 2jsc n GLN 91 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 2jsc n GLN 91 Cb 0.00 -2.57 -0.01 0.00 0.11 0.00 0.00 30.24 27.77 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 -2.00 0.57 -1.00 5.09 3.14 -1.26 -4.64 118.33 118.23 2jsc n VAL 92 Ca 0.00 -0.20 -0.01 0.00 -2.96 0.00 0.00 64.34 61.17 2jsc n VAL 92 Cb 0.00 -1.28 -0.00 0.00 -1.06 0.00 0.00 33.84 31.49 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 2.20 0.00 -1.31 1.55 0.31 -1.26 -3.44 118.33 116.37 2jsc n VAL 93 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2jsc n VAL 93 Cb 0.16 -1.01 -0.00 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.08 -2.58 -4.60 7.52 7.94 -1.26 -5.02 117.00 118.93 2jsc n LEU 94 Ca -0.01 0.35 -0.43 0.00 -1.11 0.00 0.00 56.01 54.81 2jsc n LEU 94 Cb 0.49 -1.29 -0.00 0.00 0.53 0.00 0.00 43.42 43.15 2jsc n LEU 94 CO 0.01 -0.42 0.58 0.00 -1.11 0.00 0.00 177.39 176.44 2jsc n ALA 95 N 0.23 0.00 -2.89 1.96 0.00 -1.22 -5.03 120.51 113.57 2jsc n ALA 95 Ca -0.02 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 2jsc n ALA 95 Cb 0.03 -2.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 2jsc n ALA 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jsc s VAL 96 N -1.18 0.06 -0.30 0.00 -7.23 -1.26 -5.04 120.40 105.45 2jsc s VAL 96 Ca 0.60 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 2jsc s VAL 96 Cb -0.62 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2jsc s VAL 96 CO 0.59 -0.25 0.64 0.47 -0.31 0.00 0.00 175.10 176.24 2jsc n ASP 97 N -0.25 1.82 -2.33 4.85 9.92 -1.26 -3.48 116.55 125.82 2jsc n ASP 97 Ca -0.08 -1.52 -0.29 0.00 -0.53 0.00 0.00 54.79 52.37 2jsc n ASP 97 Cb 0.63 -0.38 0.03 0.00 -0.64 0.00 0.00 41.12 40.75 2jsc n ASP 97 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2jsc n THR 98 N 0.47 2.78 -0.15 -3.53 -2.24 -1.26 -4.91 114.28 105.44 2jsc n THR 98 Ca 0.00 -4.27 0.00 0.00 -2.27 0.00 0.00 64.05 57.51 2jsc n THR 98 Cb 0.32 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 2jsc n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jsc n ASP 99 N -0.65 2.19 -4.68 3.42 5.68 -1.23 -4.91 116.55 116.38 2jsc n ASP 99 Ca 0.46 -1.53 -0.44 0.00 -0.50 0.00 0.00 54.79 52.79 2jsc n ASP 99 Cb 0.73 -0.46 -0.02 0.00 -1.14 0.00 0.00 41.12 40.23 2jsc n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jsc n GLN 100 N 1.68 2.09 0.00 0.11 3.00 -1.26 -4.99 117.38 118.00 2jsc n GLN 100 Ca 0.00 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 2jsc n GLN 100 Cb 0.21 -2.39 0.00 0.00 0.00 0.00 0.00 30.24 28.06 2jsc n GLN 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2jsc n PRO 101 N 1.75 1.69 0.00 -1.09 -0.04 -1.26 -5.10 135.00 130.96 2jsc n PRO 101 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2jsc n PRO 101 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc n VAL 103 N -0.74 0.00 -0.75 0.00 0.31 -1.26 -4.97 118.33 110.92 2jsc n VAL 103 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2jsc n VAL 103 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsc n ALA 104 N -1.16 4.71 -3.63 3.52 0.00 -1.26 -4.81 120.51 117.87 2jsc n ALA 104 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 53.44 52.50 2jsc n ALA 104 Cb 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.22 2jsc n ALA 104 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jsc n GLU 105 N 0.82 0.26 0.00 0.00 2.13 -1.26 -5.37 120.64 117.22 2jsc n GLU 105 Ca 0.19 -0.73 0.00 0.00 0.66 0.00 0.00 57.16 57.28 2jsc n GLU 105 Cb 0.55 1.07 0.00 0.00 0.27 0.00 0.00 31.44 33.33 2jsc n GLU 105 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61