#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 0.25 0.33 0.00 -0.00 -2.04 -0.72 115.31 113.14 2jsc h LEU 11 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 2jsc h LEU 11 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2jsc h LEU 11 CO 0.00 0.26 -0.16 0.00 -0.00 0.00 0.00 178.44 178.54 2jsc h ALA 12 N 1.78 -0.45 -0.23 0.17 0.00 -2.04 0.41 119.26 118.90 2jsc h ALA 12 Ca 0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2jsc h ALA 12 Cb 0.12 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jsc h ALA 12 CO -0.00 -0.64 -0.31 0.07 0.00 0.00 0.00 179.25 178.37 2jsc h ARG 13 N -0.67 0.47 0.37 0.00 -0.00 -1.96 -1.75 114.38 110.84 2jsc h ARG 13 Ca -0.05 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.98 59.72 2jsc h ARG 13 Cb 0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.43 2jsc h ARG 13 CO 0.08 0.72 -0.18 1.25 -0.00 0.00 0.00 179.97 181.84 2jsc h LEU 14 N 0.40 -0.42 -1.42 0.08 7.12 -1.07 -0.10 115.31 119.90 2jsc h LEU 14 Ca 0.05 -0.14 -0.06 0.00 0.13 0.00 0.00 57.88 57.86 2jsc h LEU 14 Cb 0.74 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2jsc h LEU 14 CO 0.06 -0.01 -0.29 1.23 -0.13 0.00 0.00 178.44 179.30 2jsc h GLY 15 N -0.94 0.00 0.79 3.75 0.00 -1.00 -1.76 103.07 103.91 2jsc h GLY 15 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2jsc h GLY 15 CO 0.08 0.00 0.01 -0.09 0.00 0.00 0.00 176.54 176.55 2jsc h ARG 16 N 0.00 0.18 0.00 4.80 2.43 -1.32 -1.48 114.38 118.98 2jsc h ARG 16 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2jsc h ARG 16 Cb 0.52 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2jsc h ARG 16 CO 0.04 0.39 -0.05 0.00 -1.51 0.00 0.00 179.97 178.84 2jsc h ALA 17 N 0.78 1.41 -0.01 2.80 0.00 -0.17 0.19 119.26 124.26 2jsc h ALA 17 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jsc h ALA 17 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jsc h ALA 17 CO 0.00 0.07 -0.31 1.28 0.00 0.00 0.00 179.25 180.29 2jsc n LEU 18 N -3.74 1.51 -0.00 0.00 4.32 -0.80 -3.88 117.00 114.40 2jsc n LEU 18 Ca -0.02 -0.49 0.11 0.00 -0.02 0.00 0.00 56.01 55.58 2jsc n LEU 18 Cb 0.15 -0.06 -0.14 0.00 -1.62 0.00 0.00 43.42 41.75 2jsc n LEU 18 CO 0.28 0.28 -0.41 0.00 -1.22 0.00 0.00 177.39 176.32 2jsc n ALA 19 N -0.28 3.69 -1.54 -1.18 0.00 0.02 -4.74 120.51 116.48 2jsc n ALA 19 Ca 0.12 -0.55 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 2jsc n ALA 19 Cb 0.40 -0.77 0.07 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.83 4.54 0.00 0.00 1.01 0.47 -4.94 116.67 113.91 2jsc s ASP 20 Ca -0.00 2.42 0.00 0.00 0.71 0.00 0.00 52.55 55.68 2jsc s ASP 20 Cb 0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2jsc s ASP 20 CO 0.89 -2.04 0.00 -0.81 0.21 0.00 0.00 175.17 173.42 2jsc n PRO 21 N -2.25 0.00 -0.40 8.23 -0.04 -1.26 -1.42 135.00 137.86 2jsc n PRO 21 Ca 0.14 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.92 2jsc n PRO 21 Cb 0.50 0.00 0.61 0.00 -0.04 0.00 0.00 33.50 34.57 2jsc n PRO 21 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2jsc h THR 22 N 0.00 0.28 0.04 0.52 1.35 -1.98 -2.36 112.91 110.77 2jsc h THR 22 Ca 0.00 -0.06 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2jsc h THR 22 Cb 0.00 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 2jsc h THR 22 CO 0.00 0.03 -0.02 -0.09 -0.25 0.00 0.00 175.52 175.19 2jsc h ARG 23 N 0.18 -0.06 -0.65 4.72 2.43 -1.89 0.16 114.38 119.28 2jsc h ARG 23 Ca 0.72 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.88 2jsc h ARG 23 Cb 2.22 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.75 2jsc h ARG 23 CO -0.33 0.17 0.32 0.00 -1.51 0.00 0.00 179.97 178.62 2jsc h ARG 25 N 0.90 0.57 -0.27 0.00 2.47 -1.25 -0.79 114.38 116.00 2jsc h ARG 25 Ca 0.22 -0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.98 2jsc h ARG 25 Cb 0.10 -0.13 -0.08 0.00 -1.65 0.00 0.00 29.97 28.22 2jsc h ARG 25 CO -0.03 0.38 -0.29 0.82 0.56 0.00 0.00 179.97 181.40 2jsc h ILE 26 N 0.59 0.30 -0.19 2.04 1.08 -0.40 -1.24 117.51 119.68 2jsc h ILE 26 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 2jsc h ILE 26 Cb 0.38 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 2jsc h ILE 26 CO -0.28 0.00 0.13 -0.07 -0.69 0.00 0.00 178.15 177.24 2jsc h LEU 27 N -0.29 0.22 -0.97 1.44 3.38 -0.92 0.41 115.31 118.57 2jsc h LEU 27 Ca 0.14 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2jsc h LEU 27 Cb 0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2jsc h LEU 27 CO -0.44 0.16 -0.07 -0.37 0.09 0.00 0.00 178.44 177.81 2jsc h VAL 28 N 0.26 1.24 0.00 1.22 -1.51 -1.08 -2.69 116.25 113.69 2jsc h VAL 28 Ca 0.07 -1.03 -0.15 0.00 -1.23 0.00 0.00 66.70 64.36 2jsc h VAL 28 Cb -0.03 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.12 2jsc h VAL 28 CO -0.02 0.35 -0.83 0.00 -1.23 0.00 0.00 177.57 175.84 2jsc h ALA 29 N 1.30 0.59 -0.33 5.19 0.00 -1.06 -3.28 119.26 121.68 2jsc h ALA 29 Ca 0.12 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 2jsc h ALA 29 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jsc h ALA 29 CO 0.03 0.88 -0.32 1.25 0.00 0.00 0.00 179.25 181.09 2jsc h LEU 30 N 0.00 0.75 -0.71 0.00 5.85 -0.70 -3.03 115.31 117.46 2jsc h LEU 30 Ca -0.04 -0.31 0.14 0.00 0.84 0.00 0.00 57.88 58.51 2jsc h LEU 30 Cb 1.55 -0.21 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 2jsc h LEU 30 CO 0.08 1.01 -0.21 0.25 -0.34 0.00 0.00 178.44 179.23 2jsc h LEU 31 N 0.61 -0.78 -2.66 2.25 6.46 -1.54 0.18 115.31 119.82 2jsc h LEU 31 Ca 0.07 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2jsc h LEU 31 Cb 0.84 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 2jsc h LEU 31 CO 0.07 -0.25 0.00 -0.67 -0.62 0.00 0.00 178.44 176.97 2jsc n ASP 32 N -5.47 3.47 0.00 1.25 2.03 -1.26 -4.57 116.55 112.00 2jsc n ASP 32 Ca 0.09 -1.97 0.00 0.00 0.52 0.00 0.00 54.79 53.42 2jsc n ASP 32 Cb 0.37 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsc n GLY 33 N 1.22 -0.18 2.88 0.27 0.00 -0.05 -5.00 105.19 104.33 2jsc n GLY 33 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.87 -0.22 -0.03 1.61 0.24 0.42 -4.85 118.33 113.63 2jsc n VAL 34 Ca 0.00 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.34 62.17 2jsc n VAL 34 Cb 0.00 -0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 32.14 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 -1.51 0.18 0.07 0.00 2.02 -1.26 -4.08 117.35 112.76 2jsc s TYR 36 Ca -0.07 -0.59 -0.34 0.00 -0.37 0.00 0.00 57.07 55.70 2jsc s TYR 36 Cb 0.01 -0.10 -0.13 0.00 -0.40 0.00 0.00 41.96 41.34 2jsc s TYR 36 CO 0.11 -0.50 1.70 -0.35 -1.57 0.00 0.00 175.55 174.94 2jsc n PRO 37 N 0.10 2.19 -0.96 -1.71 -0.04 -1.25 -1.71 135.00 131.62 2jsc n PRO 37 Ca -0.16 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2jsc n PRO 37 Cb 0.62 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 3.80 0.31 0.35 0.55 0.00 -1.26 -4.88 105.19 104.06 2jsc n GLY 38 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.39 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 0.70 0.00 0.00 1.61 3.07 -1.76 -2.18 115.11 116.56 2jsc h GLN 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jsc h GLN 39 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 2jsc h GLN 39 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.83 178.85 2jsc h LEU 40 N 0.00 0.00 -1.90 0.06 3.38 -1.90 -0.87 115.31 114.08 2jsc h LEU 40 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jsc h LEU 40 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2jsc h LEU 40 CO -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.47 2jsc h ALA 41 N 2.07 1.87 0.01 1.53 0.00 -1.56 1.00 119.26 124.17 2jsc h ALA 41 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jsc h ALA 41 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jsc h ALA 41 CO 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.22 2jsc h ALA 42 N 1.94 0.00 -0.69 0.00 0.00 -1.40 -2.30 119.26 116.81 2jsc h ALA 42 Ca -0.00 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2jsc h ALA 42 Cb 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jsc h ALA 42 CO 0.01 -0.00 0.46 0.45 0.00 0.00 0.00 179.25 180.16 2jsc h HIS 43 N -0.74 0.81 0.00 0.00 -0.00 -1.50 -3.05 115.15 110.67 2jsc h HIS 43 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsc h HIS 43 Cb 0.94 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 2jsc h HIS 43 CO 0.21 0.48 -1.34 1.28 -0.00 0.00 0.00 177.93 178.57 2jsc n LEU 44 N -4.45 0.54 0.00 2.43 4.77 0.32 -4.99 117.00 115.62 2jsc n LEU 44 Ca 0.08 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 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 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2jsc n GLY 45 N 1.42 0.64 3.85 -0.72 0.00 -0.87 -5.01 105.19 104.51 2jsc n GLY 45 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 4.01 0.84 0.99 2.01 -1.21 -4.98 118.68 120.33 2jsc s LEU 46 Ca 0.00 1.27 -0.11 0.00 0.01 0.00 0.00 54.13 55.30 2jsc s LEU 46 Cb 0.00 -4.09 0.10 0.00 0.01 0.00 0.00 46.19 42.20 2jsc s LEU 46 CO 0.00 -0.26 1.13 0.42 1.01 0.00 0.00 176.35 178.65 2jsc s THR 47 N -2.08 2.62 0.43 5.49 -4.23 -1.26 -4.21 115.64 112.39 2jsc s THR 47 Ca 0.54 0.21 0.17 0.00 -1.18 0.00 0.00 61.69 61.43 2jsc s THR 47 Cb -0.10 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.64 2jsc s THR 47 CO 0.20 -0.25 1.89 -0.09 -0.54 0.00 0.00 174.62 175.83 2jsc h ARG 48 N -1.40 0.39 0.38 3.99 2.43 -1.92 0.37 114.38 118.63 2jsc h ARG 48 Ca -0.44 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2jsc h ARG 48 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2jsc h ARG 48 CO 0.46 0.26 -0.18 0.77 -1.51 0.00 0.00 179.97 179.77 2jsc h SER 49 N 0.40 -0.44 -0.50 -3.80 0.02 -1.98 0.16 113.55 107.41 2jsc h SER 49 Ca 0.41 -0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 2jsc h SER 49 Cb 1.01 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2jsc h SER 49 CO -0.14 -0.08 0.34 0.78 -1.14 0.00 0.00 176.83 176.58 2jsc h ASN 50 N -0.83 0.38 -0.01 3.07 4.21 -1.61 -0.49 115.58 120.29 2jsc h ASN 50 Ca -0.05 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 2jsc h ASN 50 Cb 0.54 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 2jsc h ASN 50 CO 0.09 0.25 -0.04 0.58 -1.29 0.00 0.00 177.43 177.02 2jsc h VAL 51 N 0.43 1.48 -0.03 2.81 2.07 -1.00 -3.33 116.25 118.68 2jsc h VAL 51 Ca 0.22 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 2jsc h VAL 51 Cb 0.32 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2jsc h VAL 51 CO -0.06 0.39 -0.21 0.28 0.02 0.00 0.00 177.57 177.99 2jsc h SER 52 N -0.55 0.04 -0.96 0.57 0.02 -0.21 -1.91 113.55 110.55 2jsc h SER 52 Ca -0.00 -0.01 0.23 0.00 -0.84 0.00 0.00 61.79 61.17 2jsc h SER 52 Cb 0.65 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.10 2jsc h SER 52 CO 0.01 0.26 0.63 0.78 -1.14 0.00 0.00 176.83 177.37 2jsc h ASN 53 N 0.04 0.43 0.52 3.07 2.35 -1.22 -1.13 115.58 119.65 2jsc h ASN 53 Ca 0.01 0.06 -0.27 0.00 -0.55 0.00 0.00 56.30 55.54 2jsc h ASN 53 Cb 0.40 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 2jsc h ASN 53 CO 0.03 0.15 -1.66 1.41 -1.65 0.00 0.00 177.43 175.70 2jsc n HIS 54 N -4.55 1.01 0.22 1.19 8.25 -0.75 -4.16 115.22 116.43 2jsc n HIS 54 Ca 0.22 0.36 0.07 0.00 -0.26 0.00 0.00 57.72 58.11 2jsc n HIS 54 Cb 0.76 -1.18 0.50 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.41 2.41 3.38 -1.01 -1.53 115.31 118.16 2jsc h LEU 55 Ca -0.27 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2jsc h LEU 55 Cb 1.96 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.62 2jsc h LEU 55 CO 0.08 0.26 -0.17 -1.28 0.09 0.00 0.00 178.44 177.41 2jsc h SER 56 N 0.00 -0.58 -0.19 -0.43 0.87 -1.40 -0.78 113.55 111.04 2jsc h SER 56 Ca -0.00 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2jsc h SER 56 Cb 0.53 0.33 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2jsc h SER 56 CO 0.03 -0.20 -0.12 0.00 -0.53 0.00 0.00 176.83 176.01 2jsc h LEU 58 N 0.10 0.30 -0.10 0.00 5.85 -0.54 0.22 115.31 121.14 2jsc h LEU 58 Ca 0.04 -0.04 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 2jsc h LEU 58 Cb 0.63 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.59 2jsc h LEU 58 CO 0.03 0.34 -0.98 0.03 -0.34 0.00 0.00 178.44 177.53 2jsc h ARG 59 N 0.32 0.55 -0.27 1.25 3.08 -1.30 0.16 114.38 118.17 2jsc h ARG 59 Ca 0.08 -0.58 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 2jsc h ARG 59 Cb 0.20 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2jsc h ARG 59 CO 0.00 1.21 -0.01 0.78 -1.07 0.00 0.00 179.97 180.87 2jsc h GLY 60 N 0.86 0.52 1.56 0.04 0.00 -1.04 -0.97 103.07 104.04 2jsc h GLY 60 Ca -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2jsc h GLY 60 CO 0.18 0.36 0.00 0.00 0.00 0.00 0.00 176.54 177.08 2jsc n GLY 62 N -0.44 2.45 0.25 0.00 0.00 -0.37 -4.89 105.19 102.18 2jsc n GLY 62 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -8.61 0.99 3.38 -1.25 -3.38 115.31 106.44 2jsc h LEU 63 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 2jsc h LEU 63 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 2jsc h LEU 63 CO 0.00 0.16 -0.88 0.68 0.09 0.00 0.00 178.44 178.49 2jsc s VAL 64 N -4.19 2.11 0.04 1.22 -7.23 -0.44 -1.18 120.40 110.73 2jsc s VAL 64 Ca -0.03 -1.08 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 2jsc s VAL 64 Cb 0.13 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2jsc s VAL 64 CO 0.61 0.58 -0.14 -0.69 -0.31 0.00 0.00 175.10 175.15 2jsc s VAL 65 N -0.55 1.11 0.30 1.32 1.01 0.74 -4.17 120.40 120.17 2jsc s VAL 65 Ca 0.08 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 2jsc s VAL 65 Cb -0.11 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 2jsc s VAL 65 CO -0.00 0.00 0.81 0.00 0.00 0.00 0.00 175.10 175.91 2jsc s ALA 66 N -0.85 3.28 0.16 5.51 0.00 -1.26 -0.62 121.76 127.98 2jsc s ALA 66 Ca 0.01 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 2jsc s ALA 66 Cb -0.08 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2jsc s ALA 66 CO 0.01 0.26 0.22 0.95 0.00 0.00 0.00 175.76 177.21 2jsc s THR 67 N -1.77 0.07 0.04 0.00 -4.23 -0.57 -4.94 115.64 104.23 2jsc s THR 67 Ca 0.51 -1.54 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 2jsc s THR 67 Cb -0.14 -1.91 -0.06 0.00 1.34 0.00 0.00 72.50 71.72 2jsc s THR 67 CO 0.19 -0.33 0.56 -0.31 -0.54 0.00 0.00 174.62 174.19 2jsc s TYR 68 N -3.99 3.75 -0.15 3.99 2.02 -1.26 -0.10 117.35 121.60 2jsc s TYR 68 Ca 0.20 1.22 0.11 0.00 -0.37 0.00 0.00 57.07 58.22 2jsc s TYR 68 Cb 0.04 -2.52 -0.23 0.00 -0.40 0.00 0.00 41.96 38.85 2jsc s TYR 68 CO 0.01 0.50 0.24 -0.85 -1.57 0.00 0.00 175.55 173.89 2jsc n GLU 69 N 2.12 0.67 0.00 -0.62 -0.00 -0.54 -4.88 120.64 117.39 2jsc n GLU 69 Ca -0.09 0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 2jsc n GLU 69 Cb 0.51 -1.63 0.00 0.00 -0.00 0.00 0.00 31.44 30.32 2jsc n GLU 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jsc n GLY 70 N 1.80 1.97 0.10 -1.84 0.00 -1.26 -4.94 105.19 101.02 2jsc n GLY 70 Ca -0.30 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2jsc n GLY 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jsc h ARG 71 N 0.00 0.12 -3.43 1.61 2.43 -2.00 -3.50 114.38 109.62 2jsc h ARG 71 Ca 0.00 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.83 2jsc h ARG 71 Cb 0.00 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2jsc h ARG 71 CO 0.00 0.83 0.11 -1.14 -1.51 0.00 0.00 179.97 178.26 2jsc s GLN 72 N -2.59 2.18 0.53 0.20 2.00 -1.26 -5.17 119.66 115.55 2jsc s GLN 72 Ca -0.11 -1.62 -0.06 0.00 -2.00 0.00 0.00 55.36 51.57 2jsc s GLN 72 Cb 0.07 0.56 -0.02 0.00 0.80 0.00 0.00 33.01 34.42 2jsc s GLN 72 CO 0.81 -0.98 0.85 0.14 -0.50 0.00 0.00 175.29 175.61 2jsc s VAL 73 N -2.40 4.51 0.05 1.34 -7.23 -1.26 -1.47 120.40 113.94 2jsc s VAL 73 Ca 0.22 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 2jsc s VAL 73 Cb -0.03 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 2jsc s VAL 73 CO 0.16 -0.78 -0.05 0.00 -0.31 0.00 0.00 175.10 174.13 2jsc s ARG 74 N -4.88 0.58 0.20 4.82 1.70 0.85 -3.90 118.95 118.33 2jsc s ARG 74 Ca 0.50 -1.04 -0.11 0.00 -0.47 0.00 0.00 55.73 54.62 2jsc s ARG 74 Cb -0.10 0.01 -0.07 0.00 -0.57 0.00 0.00 34.95 34.22 2jsc s ARG 74 CO 0.46 -0.05 0.54 0.71 -1.08 0.00 0.00 175.30 175.88 2jsc s TYR 75 N -2.89 3.47 0.16 5.89 1.51 -1.26 -1.51 117.35 122.72 2jsc s TYR 75 Ca 0.00 0.91 -0.10 0.00 -1.01 0.00 0.00 57.07 56.87 2jsc s TYR 75 Cb 0.00 -2.28 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 2jsc s TYR 75 CO -0.05 0.32 0.31 0.00 -1.11 0.00 0.00 175.55 175.01 2jsc s ALA 76 N -1.72 -0.13 0.83 3.71 0.00 0.21 -4.41 121.76 120.25 2jsc s ALA 76 Ca 0.45 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 2jsc s ALA 76 Cb -0.12 0.83 0.08 0.00 0.00 0.00 0.00 23.12 23.91 2jsc s ALA 76 CO 0.21 -0.65 1.10 -0.11 0.00 0.00 0.00 175.76 176.30 2jsc n LEU 77 N -0.22 3.68 -0.10 0.00 7.94 -1.26 -0.18 117.00 126.86 2jsc n LEU 77 Ca -0.08 0.54 0.24 0.00 -1.11 0.00 0.00 56.01 55.60 2jsc n LEU 77 Cb 0.63 -1.46 0.70 0.00 0.53 0.00 0.00 43.42 43.81 2jsc n LEU 77 CO 0.23 -2.00 1.23 0.00 -1.11 0.00 0.00 177.39 175.74 2jsc h ALA 78 N -1.11 2.67 0.00 1.96 0.00 -1.33 -3.39 119.26 118.06 2jsc h ALA 78 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jsc h ALA 78 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2jsc h ALA 78 CO 0.44 -0.88 0.00 -3.47 0.00 0.00 0.00 179.25 175.34 2jsc n ASP 79 N -4.33 0.00 0.19 0.00 2.03 -1.26 -4.89 116.55 108.29 2jsc n ASP 79 Ca 0.15 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.63 2jsc n ASP 79 Cb 0.79 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.90 2jsc n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jsc h SER 80 N 0.00 0.00 0.53 1.67 0.02 -1.98 -1.91 113.55 111.87 2jsc h SER 80 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2jsc h SER 80 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2jsc h SER 80 CO 0.00 0.00 -0.43 0.45 -1.14 0.00 0.00 176.83 175.71 2jsc h HIS 81 N 0.00 -1.18 -0.18 3.45 3.86 -1.98 -1.97 115.15 117.15 2jsc h HIS 81 Ca 0.12 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2jsc h HIS 81 Cb 1.09 0.44 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 2jsc h HIS 81 CO 0.00 -0.61 -0.17 -0.07 0.86 0.00 0.00 177.93 177.94 2jsc h LEU 82 N -0.94 0.29 -1.98 2.43 3.38 -1.75 -2.91 115.31 113.83 2jsc h LEU 82 Ca -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2jsc h LEU 82 Cb 0.81 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2jsc h LEU 82 CO -0.01 0.49 -0.05 0.00 0.09 0.00 0.00 178.44 178.95 2jsc h ALA 83 N 1.55 1.82 0.19 1.53 0.00 -1.23 -0.25 119.26 122.87 2jsc h ALA 83 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jsc h ALA 83 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jsc h ALA 83 CO 0.03 0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.25 2jsc h ARG 84 N 0.00 -0.25 -0.79 0.00 2.47 -1.15 -0.48 114.38 114.18 2jsc h ARG 84 Ca -0.00 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 2jsc h ARG 84 Cb 0.09 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 2jsc h ARG 84 CO 0.01 0.15 0.30 0.00 0.56 0.00 0.00 179.97 181.00 2jsc h ALA 85 N -0.17 1.03 -0.76 0.04 0.00 -1.38 0.16 119.26 118.19 2jsc h ALA 85 Ca -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2jsc h ALA 85 Cb 0.51 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jsc h ALA 85 CO 0.04 0.67 0.29 1.25 0.00 0.00 0.00 179.25 181.51 2jsc h LEU 86 N 1.16 1.05 0.09 0.00 5.85 -1.20 -2.85 115.31 119.41 2jsc h LEU 86 Ca 0.26 -0.18 -0.26 0.00 0.84 0.00 0.00 57.88 58.55 2jsc h LEU 86 Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2jsc h LEU 86 CO -0.02 0.94 -1.35 1.23 -0.34 0.00 0.00 178.44 178.90 2jsc h GLY 87 N 1.10 0.21 2.00 3.75 0.00 -0.43 -3.12 103.07 106.58 2jsc h GLY 87 Ca 0.25 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2jsc h GLY 87 CO -0.02 0.46 -0.06 -2.09 0.00 0.00 0.00 176.54 174.83 2jsc h GLU 88 N -0.45 0.00 -1.14 4.80 4.57 -0.89 -3.49 114.58 117.98 2jsc h GLU 88 Ca -0.31 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.00 2jsc h GLU 88 Cb 1.65 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.19 2jsc h GLU 88 CO 0.00 0.06 -0.30 -0.11 -1.18 0.00 0.00 179.01 177.48 2jsc n LEU 89 N -3.82 -0.30 0.00 1.64 7.94 -1.07 -4.16 117.00 117.22 2jsc n LEU 89 Ca -0.02 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2jsc n LEU 89 Cb 0.16 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.53 2jsc n LEU 89 CO 0.29 -1.03 0.37 1.33 -1.11 0.00 0.00 177.39 177.25 2jsc n VAL 90 N -3.09 0.99 0.00 1.96 0.24 -1.26 -4.82 118.33 112.35 2jsc n VAL 90 Ca -0.01 0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2jsc n VAL 90 Cb 0.23 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 2jsc n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc n GLN 91 N -1.23 0.00 0.00 7.34 1.13 -1.26 -4.78 117.38 118.58 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 0.02 -0.87 0.00 0.00 0.11 0.00 0.00 30.24 29.50 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 -0.94 0.13 0.00 5.09 3.14 -1.26 -4.70 118.33 119.79 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 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 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 0.88 0.00 0.00 1.55 0.31 -1.26 -4.01 118.33 115.80 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 0.07 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.00 -4.77 7.52 7.94 -1.26 -5.14 117.00 121.30 2jsc n LEU 94 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 2jsc n LEU 94 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2jsc n LEU 94 CO 0.00 0.00 1.02 0.00 -1.11 0.00 0.00 177.39 177.30 2jsc s ALA 95 N 0.00 3.53 0.43 1.96 0.00 -1.26 -4.99 121.76 121.43 2jsc s ALA 95 Ca 0.00 1.30 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 2jsc s ALA 95 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 2jsc s ALA 95 CO 0.00 -0.70 1.11 0.08 0.00 0.00 0.00 175.76 176.25 2jsc s VAL 96 N -0.92 3.42 -0.17 0.00 1.01 -1.26 -4.95 120.40 117.53 2jsc s VAL 96 Ca 0.51 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.51 2jsc s VAL 96 Cb -0.41 -3.55 -0.21 0.00 0.00 0.00 0.00 36.38 32.21 2jsc s VAL 96 CO 0.52 -0.01 3.13 0.47 0.00 0.00 0.00 175.10 179.22 2jsc n ASP 97 N -0.28 4.89 -4.36 3.32 8.00 -1.26 -4.90 116.55 121.96 2jsc n ASP 97 Ca 0.06 -2.36 -0.26 0.00 0.71 0.00 0.00 54.79 52.94 2jsc n ASP 97 Cb 0.49 -1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.22 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jsc s THR 98 N 1.44 2.05 -0.35 -3.53 -4.23 -1.26 -5.11 115.64 104.65 2jsc s THR 98 Ca 0.58 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.10 2jsc s THR 98 Cb 0.26 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 72.24 2jsc s THR 98 CO -0.01 -0.05 0.74 -0.62 -0.54 0.00 0.00 174.62 174.14 2jsc s ASP 99 N -2.21 6.54 -0.01 3.99 2.15 -1.26 -5.05 116.67 120.83 2jsc s ASP 99 Ca 0.13 0.36 -0.01 0.00 0.43 0.00 0.00 52.55 53.47 2jsc s ASP 99 Cb -0.09 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2jsc s ASP 99 CO 0.06 -0.66 0.01 -1.10 -0.17 0.00 0.00 175.17 173.32 2jsc s GLN 100 N 2.94 0.02 0.41 4.34 -1.52 -1.26 -5.15 119.66 119.44 2jsc s GLN 100 Ca 0.29 0.01 -0.24 0.00 -1.95 0.00 0.00 55.36 53.47 2jsc s GLN 100 Cb -0.14 0.01 -0.08 0.00 -0.22 0.00 0.00 33.01 32.58 2jsc s GLN 100 CO 0.15 -0.00 1.11 -1.25 -0.25 0.00 0.00 175.29 175.05 2jsc s PRO 101 N -0.01 4.04 -0.79 2.91 0.04 -1.26 -4.93 135.00 134.99 2jsc s PRO 101 Ca -0.00 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 2jsc s PRO 101 Cb -0.00 -2.56 -0.15 0.00 0.04 0.00 0.00 34.50 31.83 2jsc s PRO 101 CO 0.00 -0.29 1.93 0.00 0.04 0.00 0.00 177.00 178.68 2jsc n VAL 103 N 6.02 0.00 -0.74 0.00 3.14 -1.26 -5.04 118.33 120.46 2jsc n VAL 103 Ca 0.50 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.79 2jsc n VAL 103 Cb 0.41 0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.58 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jsc n ALA 104 N 0.04 0.00 -3.15 1.55 0.00 -1.26 -4.87 120.51 112.82 2jsc n ALA 104 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2jsc n ALA 104 Cb 0.68 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.00 0.15 -0.58 0.00 0.00 -1.26 -5.23 120.64 111.72 2jsc n GLU 105 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 57.16 56.74 2jsc n GLU 105 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 31.44 31.89 2jsc n GLU 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00