#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc h LEU 11 N 0.00 -1.25 0.00 0.00 3.38 -2.06 0.16 115.31 115.55 2jsc h LEU 11 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jsc h LEU 11 Cb 0.00 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jsc h LEU 11 CO 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.24 2jsc n ALA 12 N -2.94 2.46 -0.07 1.53 0.00 -1.26 -2.78 120.51 117.45 2jsc n ALA 12 Ca -0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 2jsc n ALA 12 Cb 0.24 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 2jsc n ALA 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jsc n ARG 13 N -0.50 1.12 0.13 0.00 3.00 -0.43 -4.25 116.66 115.72 2jsc n ARG 13 Ca 0.00 0.05 -0.14 0.00 -0.00 0.00 0.00 57.85 57.76 2jsc n ARG 13 Cb 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 32.46 31.06 2jsc n ARG 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2jsc h LEU 14 N 0.00 -0.21 -2.01 6.15 7.12 -0.55 0.11 115.31 125.92 2jsc h LEU 14 Ca -0.36 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.60 2jsc h LEU 14 Cb 1.67 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.85 2jsc h LEU 14 CO -0.02 -0.10 -0.09 1.23 -0.13 0.00 0.00 178.44 179.33 2jsc h GLY 15 N -0.30 0.00 1.70 3.75 0.00 -1.78 -1.03 103.07 105.41 2jsc h GLY 15 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 2jsc h GLY 15 CO 0.04 0.00 -0.69 -0.09 0.00 0.00 0.00 176.54 175.80 2jsc h ARG 16 N 0.00 0.29 0.12 4.80 1.12 -1.55 -3.01 114.38 116.15 2jsc h ARG 16 Ca -0.00 -0.23 -0.27 0.00 -1.11 0.00 0.00 59.98 58.37 2jsc h ARG 16 Cb 0.30 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2jsc h ARG 16 CO 0.01 0.87 -1.22 0.00 -3.11 0.00 0.00 179.97 176.53 2jsc h ALA 17 N 1.06 0.12 -0.62 2.80 0.00 0.04 -2.64 119.26 120.01 2jsc h ALA 17 Ca -0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 54.91 53.96 2jsc h ALA 17 Cb 1.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2jsc h ALA 17 CO 0.11 1.00 0.21 -0.07 0.00 0.00 0.00 179.25 180.50 2jsc h LEU 18 N 0.07 0.90 0.00 0.00 3.38 -1.31 -3.29 115.31 115.06 2jsc h LEU 18 Ca -0.12 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2jsc h LEU 18 Cb 1.95 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2jsc h LEU 18 CO 0.20 0.85 -0.71 0.00 0.09 0.00 0.00 178.44 178.87 2jsc n ALA 19 N -2.40 4.07 -1.56 1.53 0.00 -1.14 -3.46 120.51 117.56 2jsc n ALA 19 Ca 0.04 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 2jsc n ALA 19 Cb 0.20 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.71 2jsc n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jsc n ASP 20 N -1.50 0.29 0.00 0.00 2.03 -1.00 -4.59 116.55 111.79 2jsc n ASP 20 Ca 0.05 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.24 2jsc n ASP 20 Cb 0.33 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 2jsc n ASP 20 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jsc n PRO 21 N -0.18 0.00 0.17 -0.67 -0.04 -1.26 -0.71 135.00 132.31 2jsc n PRO 21 Ca 0.11 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 2jsc n PRO 21 Cb 0.44 -0.81 0.09 0.00 -0.04 0.00 0.00 33.50 33.17 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 0.37 -0.35 0.52 1.35 -1.99 -3.31 112.91 109.49 2jsc h THR 22 Ca 0.00 -1.53 -0.02 0.00 -0.55 0.00 0.00 66.41 64.31 2jsc h THR 22 Cb 0.00 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 2jsc h THR 22 CO 0.00 0.21 0.14 0.03 -0.25 0.00 0.00 175.52 175.64 2jsc h ARG 23 N 0.00 0.53 -0.54 4.72 3.08 -1.68 0.32 114.38 120.82 2jsc h ARG 23 Ca -0.01 -0.10 0.11 0.00 0.07 0.00 0.00 59.98 60.05 2jsc h ARG 23 Cb 1.18 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.06 2jsc h ARG 23 CO 0.03 0.52 -0.02 0.00 -1.07 0.00 0.00 179.97 179.43 2jsc h ARG 25 N 0.10 0.28 -0.53 0.00 3.08 -1.52 0.14 114.38 115.92 2jsc h ARG 25 Ca 0.27 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.37 2jsc h ARG 25 Cb 0.42 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 2jsc h ARG 25 CO -0.46 0.31 0.12 0.82 -1.07 0.00 0.00 179.97 179.68 2jsc h ILE 26 N 0.18 0.71 -0.26 2.04 1.08 0.02 -0.64 117.51 120.64 2jsc h ILE 26 Ca 0.07 -0.09 -0.12 0.00 -0.39 0.00 0.00 64.86 64.33 2jsc h ILE 26 Cb 0.12 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2jsc h ILE 26 CO -0.01 0.05 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.13 2jsc h LEU 27 N 0.26 0.70 -0.84 1.44 3.38 -0.48 -0.35 115.31 119.42 2jsc h LEU 27 Ca 0.27 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2jsc h LEU 27 Cb 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jsc h LEU 27 CO -0.34 1.05 -0.39 1.62 0.09 0.00 0.00 178.44 180.47 2jsc h VAL 28 N 0.37 0.88 0.00 1.22 3.04 -0.63 -1.68 116.25 119.46 2jsc h VAL 28 Ca 0.04 -1.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.13 2jsc h VAL 28 Cb 0.87 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 2jsc h VAL 28 CO 0.07 0.38 -0.03 0.00 -1.01 0.00 0.00 177.57 176.98 2jsc n ALA 29 N -2.29 2.35 0.09 3.17 0.00 -0.26 -3.46 120.51 120.11 2jsc n ALA 29 Ca -0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 2jsc n ALA 29 Cb 0.53 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 2jsc n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jsc h LEU 30 N 0.00 0.49 -0.68 0.00 5.85 -0.17 -3.22 115.31 117.59 2jsc h LEU 30 Ca 0.00 -0.60 0.08 0.00 0.84 0.00 0.00 57.88 58.20 2jsc h LEU 30 Cb 0.65 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 2jsc h LEU 30 CO 0.00 1.49 -0.51 0.25 -0.34 0.00 0.00 178.44 179.33 2jsc h LEU 31 N 0.09 -1.77 -2.45 2.25 6.46 -1.42 0.15 115.31 118.61 2jsc h LEU 31 Ca -0.22 0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2jsc h LEU 31 Cb 2.03 0.78 0.00 0.00 -0.73 0.00 0.00 40.66 42.75 2jsc h LEU 31 CO 0.19 -0.32 0.00 0.47 -0.62 0.00 0.00 178.44 178.16 2jsc n ASP 32 N -5.36 3.58 -0.06 1.25 9.92 -1.26 -4.63 116.55 119.99 2jsc n ASP 32 Ca 0.01 -1.99 -0.08 0.00 -0.53 0.00 0.00 54.79 52.20 2jsc n ASP 32 Cb 0.33 -0.42 -0.08 0.00 -0.64 0.00 0.00 41.12 40.30 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 1.57 -0.43 0.00 0.44 0.00 0.31 -4.97 105.19 102.11 2jsc n GLY 33 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.63 0.00 -0.08 1.61 0.24 -0.08 -4.56 118.33 112.84 2jsc n VAL 34 Ca -0.22 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.01 2jsc n VAL 34 Cb 0.84 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.19 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N -2.56 -0.00 0.23 0.00 2.02 -1.26 -3.89 117.35 111.88 2jsc s TYR 36 Ca -0.22 -0.09 -0.31 0.00 -0.37 0.00 0.00 57.07 56.08 2jsc s TYR 36 Cb 0.03 -0.01 -0.10 0.00 -0.40 0.00 0.00 41.96 41.48 2jsc s TYR 36 CO 0.33 -0.36 1.53 -1.25 -1.57 0.00 0.00 175.55 174.23 2jsc s PRO 37 N -1.76 4.21 0.00 -1.71 0.04 -1.25 -2.02 135.00 132.51 2jsc s PRO 37 Ca -0.11 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2jsc s PRO 37 Cb -0.05 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2jsc s PRO 37 CO 0.00 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2jsc n GLY 38 N 2.81 1.18 0.30 0.56 0.00 -1.26 -4.89 105.19 103.89 2jsc n GLY 38 Ca 0.10 0.00 0.12 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 2.12 0.00 0.00 1.61 3.07 -1.83 -2.78 115.11 117.30 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2jsc h GLN 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 178.83 180.20 2jsc n LEU 40 N -4.34 0.00 -0.18 0.06 4.32 -1.26 -1.32 117.00 114.28 2jsc n LEU 40 Ca 0.00 0.13 -0.04 0.00 -0.02 0.00 0.00 56.01 56.07 2jsc n LEU 40 Cb 0.22 -0.13 0.14 0.00 -1.62 0.00 0.00 43.42 42.03 2jsc n LEU 40 CO 0.33 -0.07 0.97 0.00 -1.22 0.00 0.00 177.39 177.41 2jsc h ALA 41 N 2.81 1.12 -0.08 -1.18 0.00 -1.67 0.35 119.26 120.61 2jsc h ALA 41 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 2jsc h ALA 41 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jsc h ALA 41 CO 0.00 0.60 -0.78 0.00 0.00 0.00 0.00 179.25 179.07 2jsc h ALA 42 N 1.25 0.50 -0.38 0.00 0.00 -1.46 -0.43 119.26 118.74 2jsc h ALA 42 Ca 0.20 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2jsc h ALA 42 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jsc h ALA 42 CO -0.00 0.76 -0.15 0.45 0.00 0.00 0.00 179.25 180.30 2jsc h HIS 43 N 0.32 0.77 0.00 0.00 -0.00 -1.52 -3.34 115.15 111.37 2jsc h HIS 43 Ca -0.04 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.37 60.16 2jsc h HIS 43 Cb 1.38 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2jsc h HIS 43 CO 0.05 0.81 -1.77 1.28 -0.00 0.00 0.00 177.93 178.30 2jsc n LEU 44 N -4.15 0.00 -0.05 2.43 4.77 0.09 -5.00 117.00 115.09 2jsc n LEU 44 Ca 0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 2jsc n LEU 44 Cb 0.38 0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2jsc n LEU 44 CO 0.43 0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 177.12 2jsc n GLY 45 N 1.61 0.42 3.89 -0.72 0.00 -0.18 -5.04 105.19 105.17 2jsc n GLY 45 Ca -0.05 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.15 4.29 0.48 0.99 1.43 -1.18 -5.03 118.68 119.51 2jsc s LEU 46 Ca 0.00 0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 53.13 2jsc s LEU 46 Cb 0.00 -2.74 -0.07 0.00 0.03 0.00 0.00 46.19 43.41 2jsc s LEU 46 CO 0.00 0.21 1.39 0.28 0.23 0.00 0.00 176.35 178.47 2jsc s THR 47 N -1.41 2.13 0.67 5.49 -1.32 -1.26 -4.25 115.64 115.69 2jsc s THR 47 Ca 0.31 0.11 0.44 0.00 -1.21 0.00 0.00 61.69 61.33 2jsc s THR 47 Cb -0.13 -3.06 0.44 0.00 -1.51 0.00 0.00 72.50 68.25 2jsc s THR 47 CO 0.23 0.01 2.36 0.08 -2.21 0.00 0.00 174.62 175.09 2jsc h ARG 48 N 2.06 0.00 0.46 7.08 -0.00 -1.94 0.14 114.38 122.18 2jsc h ARG 48 Ca -0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.45 2jsc h ARG 48 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 2jsc h ARG 48 CO 0.60 0.00 -0.22 0.66 -0.00 0.00 0.00 179.97 181.01 2jsc h SER 49 N 0.00 -0.53 -0.86 0.08 4.64 -1.97 -2.91 113.55 112.01 2jsc h SER 49 Ca 0.00 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.45 2jsc h SER 49 Cb 0.02 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.17 2jsc h SER 49 CO -0.00 -0.11 0.49 -1.13 -0.87 0.00 0.00 176.83 175.20 2jsc h ASN 50 N -1.16 0.67 -0.65 4.97 -0.73 -1.62 0.14 115.58 117.21 2jsc h ASN 50 Ca -0.06 0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 2jsc h ASN 50 Cb 0.48 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.97 2jsc h ASN 50 CO 0.10 0.36 0.18 0.58 -0.37 0.00 0.00 177.43 178.28 2jsc h VAL 51 N 0.78 1.25 -0.57 2.57 2.07 -0.93 -1.29 116.25 120.13 2jsc h VAL 51 Ca 0.43 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2jsc h VAL 51 Cb 0.46 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2jsc h VAL 51 CO -0.28 0.34 0.27 0.28 0.02 0.00 0.00 177.57 178.20 2jsc h SER 52 N 0.95 0.75 -0.58 0.57 0.02 -0.95 -1.88 113.55 112.42 2jsc h SER 52 Ca 0.21 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 2jsc h SER 52 Cb 0.33 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 2jsc h SER 52 CO -0.00 0.67 0.27 0.78 -1.14 0.00 0.00 176.83 177.41 2jsc h ASN 53 N 0.77 0.35 -0.70 3.07 2.35 -0.59 -0.03 115.58 120.80 2jsc h ASN 53 Ca 0.19 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 2jsc h ASN 53 Cb 0.13 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2jsc h ASN 53 CO -0.02 0.23 0.19 0.45 -1.65 0.00 0.00 177.43 176.62 2jsc h HIS 54 N 0.50 1.15 0.00 1.19 3.86 -1.12 -3.00 115.15 117.72 2jsc h HIS 54 Ca 0.27 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2jsc h HIS 54 Cb 0.25 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2jsc h HIS 54 CO -0.12 0.93 -0.20 -0.07 0.86 0.00 0.00 177.93 179.33 2jsc h LEU 55 N 1.04 0.00 -0.46 2.43 3.38 -0.46 -3.17 115.31 118.07 2jsc h LEU 55 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2jsc h LEU 55 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2jsc h LEU 55 CO -0.00 0.20 0.23 0.28 0.09 0.00 0.00 178.44 179.24 2jsc h SER 56 N 0.00 0.59 0.40 -0.43 0.02 -0.89 -0.21 113.55 113.03 2jsc h SER 56 Ca -0.00 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2jsc h SER 56 Cb 0.52 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2jsc h SER 56 CO 0.03 0.54 -0.19 0.00 -1.14 0.00 0.00 176.83 176.06 2jsc h LEU 58 N -0.56 0.48 -0.18 0.00 4.07 -1.48 0.28 115.31 117.93 2jsc h LEU 58 Ca -0.06 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2jsc h LEU 58 Cb 0.42 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2jsc h LEU 58 CO 0.09 0.17 -0.07 0.54 -1.08 0.00 0.00 178.44 178.09 2jsc n ARG 59 N -4.91 0.68 -0.03 1.13 1.74 -0.11 -1.32 116.66 113.84 2jsc n ARG 59 Ca 0.18 -0.18 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2jsc n ARG 59 Cb 0.48 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.25 -0.50 0.00 -0.13 0.00 0.02 -4.45 105.19 101.38 2jsc n GLY 60 Ca 0.15 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.48 0.87 0.17 0.00 0.00 -1.22 -4.85 105.19 100.65 2jsc n GLY 62 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.02 -7.80 0.99 3.38 -1.64 -3.42 115.31 106.85 2jsc h LEU 63 Ca -0.18 -0.01 -0.39 0.00 0.09 0.00 0.00 57.88 57.38 2jsc h LEU 63 Cb 1.12 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 41.54 2jsc h LEU 63 CO 0.27 0.47 -0.77 -0.69 0.09 0.00 0.00 178.44 177.81 2jsc s VAL 64 N -4.01 0.54 -0.00 1.22 1.01 -0.43 -0.84 120.40 117.88 2jsc s VAL 64 Ca -0.02 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2jsc s VAL 64 Cb 0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2jsc s VAL 64 CO 0.74 0.21 -0.18 -0.69 0.00 0.00 0.00 175.10 175.18 2jsc s VAL 65 N 0.62 1.39 0.15 2.92 1.01 0.77 -4.27 120.40 123.00 2jsc s VAL 65 Ca -0.08 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 2jsc s VAL 65 Cb -0.12 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 2jsc s VAL 65 CO 0.00 0.33 0.44 0.00 0.00 0.00 0.00 175.10 175.87 2jsc s ALA 66 N -0.50 3.70 -0.14 5.51 0.00 -1.26 -1.47 121.76 127.61 2jsc s ALA 66 Ca 0.06 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 2jsc s ALA 66 Cb -0.07 -2.26 0.13 0.00 0.00 0.00 0.00 23.12 20.91 2jsc s ALA 66 CO -0.00 0.59 1.01 0.99 0.00 0.00 0.00 175.76 178.36 2jsc s THR 67 N -1.64 0.00 0.27 0.00 2.01 -1.07 -5.01 115.64 110.20 2jsc s THR 67 Ca 0.41 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 2jsc s THR 67 Cb -0.12 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.29 2jsc s THR 67 CO 0.22 0.00 0.94 -0.31 -0.69 0.00 0.00 174.62 174.78 2jsc s TYR 68 N -1.60 3.89 -0.40 4.92 1.51 -1.26 -0.41 117.35 123.99 2jsc s TYR 68 Ca 0.01 1.87 0.23 0.00 -1.01 0.00 0.00 57.07 58.17 2jsc s TYR 68 Cb -0.01 -2.97 0.13 0.00 -0.11 0.00 0.00 41.96 39.00 2jsc s TYR 68 CO -0.02 0.36 1.15 1.05 -1.11 0.00 0.00 175.55 176.99 2jsc h GLU 69 N 3.83 0.00 0.00 -0.62 -0.00 -1.39 -3.46 114.58 112.94 2jsc h GLU 69 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 2jsc h GLU 69 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2jsc h GLU 69 CO 0.67 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.09 2jsc n GLY 70 N 1.24 0.64 0.00 1.06 0.00 -1.26 -4.86 105.19 102.03 2jsc n GLY 70 Ca 0.01 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 1.05 -3.76 1.61 0.00 -1.26 -5.05 116.66 109.25 2jsc n ARG 71 Ca 0.00 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.85 57.68 2jsc n ARG 71 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.11 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 -2.85 1.59 0.22 -0.14 2.00 -1.26 -5.18 119.66 114.05 2jsc s GLN 72 Ca -0.01 -0.88 -0.08 0.00 -2.00 0.00 0.00 55.36 52.39 2jsc s GLN 72 Cb 0.11 0.58 -0.07 0.00 0.80 0.00 0.00 33.01 34.43 2jsc s GLN 72 CO 0.65 -0.71 0.52 0.54 -0.50 0.00 0.00 175.29 175.79 2jsc s VAL 73 N -3.88 4.99 0.26 1.34 0.11 -1.26 -1.01 120.40 120.95 2jsc s VAL 73 Ca 0.09 0.33 0.06 0.00 -2.93 0.00 0.00 61.98 59.54 2jsc s VAL 73 Cb -0.04 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 2jsc s VAL 73 CO 0.01 -0.08 -0.07 0.00 -3.33 0.00 0.00 175.10 171.63 2jsc s ARG 74 N -2.88 1.48 0.20 1.54 1.70 0.45 -3.96 118.95 117.49 2jsc s ARG 74 Ca 0.46 -1.73 0.08 0.00 -0.47 0.00 0.00 55.73 54.06 2jsc s ARG 74 Cb -0.11 -1.09 -0.04 0.00 -0.57 0.00 0.00 34.95 33.14 2jsc s ARG 74 CO 0.23 0.05 0.01 0.71 -1.08 0.00 0.00 175.30 175.22 2jsc s TYR 75 N -3.05 2.81 -0.07 5.89 2.02 -1.26 -2.59 117.35 121.10 2jsc s TYR 75 Ca 0.28 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.52 2jsc s TYR 75 Cb 0.03 -1.33 0.09 0.00 -0.40 0.00 0.00 41.96 40.36 2jsc s TYR 75 CO 0.10 0.54 0.79 0.00 -1.57 0.00 0.00 175.55 175.42 2jsc s ALA 76 N -1.91 -1.81 0.69 3.71 0.00 -0.54 -4.41 121.76 117.49 2jsc s ALA 76 Ca 0.29 1.33 -0.16 0.00 0.00 0.00 0.00 51.96 53.41 2jsc s ALA 76 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2jsc s ALA 76 CO 0.19 -0.39 1.07 1.28 0.00 0.00 0.00 175.76 177.91 2jsc n LEU 77 N 0.70 4.27 0.06 0.00 4.77 -1.26 -0.16 117.00 125.38 2jsc n LEU 77 Ca -0.16 0.72 0.03 0.00 -0.03 0.00 0.00 56.01 56.57 2jsc n LEU 77 Cb 0.58 -1.45 0.41 0.00 -2.33 0.00 0.00 43.42 40.63 2jsc n LEU 77 CO 0.20 -1.72 1.02 0.00 -1.33 0.00 0.00 177.39 175.56 2jsc h ALA 78 N -0.02 1.61 -2.02 -1.18 0.00 -1.24 -3.42 119.26 112.99 2jsc h ALA 78 Ca -0.48 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.49 2jsc h ALA 78 Cb 1.34 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2jsc h ALA 78 CO 0.49 0.30 0.60 0.34 0.00 0.00 0.00 179.25 180.98 2jsc s ASP 79 N -6.80 -0.24 0.48 0.00 2.15 -1.26 -4.97 116.67 106.03 2jsc s ASP 79 Ca -0.07 -0.10 0.35 0.00 0.43 0.00 0.00 52.55 53.16 2jsc s ASP 79 Cb 0.16 0.33 1.50 0.00 -0.30 0.00 0.00 42.92 44.61 2jsc s ASP 79 CO 0.73 -0.55 1.64 0.77 -0.17 0.00 0.00 175.17 177.59 2jsc h SER 80 N 2.00 0.17 -0.21 -0.34 4.64 -1.98 -0.47 113.55 117.35 2jsc h SER 80 Ca -0.21 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2jsc h SER 80 Cb 1.22 0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 2jsc h SER 80 CO 0.28 -0.10 -0.18 0.45 -0.87 0.00 0.00 176.83 176.40 2jsc h HIS 81 N 0.07 -0.46 -0.18 4.77 3.86 -2.00 -1.27 115.15 119.94 2jsc h HIS 81 Ca 0.81 0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.83 2jsc h HIS 81 Cb 2.78 0.24 0.01 0.00 1.06 0.00 0.00 27.41 31.49 2jsc h HIS 81 CO -0.00 -0.25 -0.73 -0.07 0.86 0.00 0.00 177.93 177.73 2jsc h LEU 82 N -0.19 0.93 -0.68 2.43 3.38 -1.51 -3.27 115.31 116.41 2jsc h LEU 82 Ca 0.13 -0.59 0.09 0.00 0.09 0.00 0.00 57.88 57.60 2jsc h LEU 82 Cb 0.37 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2jsc h LEU 82 CO -0.32 1.39 0.32 0.00 0.09 0.00 0.00 178.44 179.91 2jsc h ALA 83 N 0.60 0.92 -0.01 1.53 0.00 -1.22 -0.26 119.26 120.82 2jsc h ALA 83 Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jsc h ALA 83 Cb 1.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jsc h ALA 83 CO 0.15 -0.09 0.00 0.07 0.00 0.00 0.00 179.25 179.38 2jsc h ARG 84 N 0.54 0.02 -0.32 0.00 0.11 -1.30 0.95 114.38 114.39 2jsc h ARG 84 Ca 0.34 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.36 2jsc h ARG 84 Cb 0.37 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 2jsc h ARG 84 CO -0.28 0.30 0.02 0.00 0.10 0.00 0.00 179.97 180.11 2jsc h ALA 85 N 0.72 0.43 -0.55 0.08 0.00 -1.57 -2.64 119.26 115.73 2jsc h ALA 85 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 85 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jsc h ALA 85 CO 0.00 0.16 0.06 1.25 0.00 0.00 0.00 179.25 180.73 2jsc h LEU 86 N 0.36 0.86 -2.39 0.00 7.12 -1.10 -1.77 115.31 118.39 2jsc h LEU 86 Ca 0.09 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.90 2jsc h LEU 86 Cb 0.41 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.31 2jsc h LEU 86 CO 0.01 0.88 -0.03 1.23 -0.13 0.00 0.00 178.44 180.40 2jsc h GLY 87 N 1.00 0.00 -1.07 3.75 0.00 -0.59 -0.42 103.07 105.74 2jsc h GLY 87 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2jsc h GLY 87 CO 0.01 0.00 -0.09 -1.84 0.00 0.00 0.00 176.54 174.62 2jsc n GLU 88 N -3.35 1.94 0.00 4.80 0.28 -1.01 -5.01 120.64 118.29 2jsc n GLU 88 Ca -0.02 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.08 2jsc n GLU 88 Cb 0.15 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.33 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 -1.04 0.00 0.00 -1.84 7.94 -0.17 -0.64 117.00 121.25 2jsc n LEU 89 Ca 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 2jsc n LEU 89 Cb 0.81 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.76 2jsc n LEU 89 CO 0.09 0.00 0.00 1.33 -1.11 0.00 0.00 177.39 177.70 2jsc n VAL 90 N 0.00 0.00 -0.06 1.96 0.24 -0.91 -4.72 118.33 114.84 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 0.00 0.00 -0.19 7.34 -0.06 0.19 -4.99 117.38 119.67 2jsc n GLN 91 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 2jsc n GLN 91 Cb 0.00 -0.54 -0.01 0.00 -4.06 0.00 0.00 30.24 25.63 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 -2.00 0.73 -1.10 1.69 3.14 -1.26 -4.49 118.33 115.04 2jsc n VAL 92 Ca 0.00 -0.22 -0.03 0.00 -2.96 0.00 0.00 64.34 61.13 2jsc n VAL 92 Cb 0.00 -1.24 -0.01 0.00 -1.06 0.00 0.00 33.84 31.53 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 1.97 0.00 -0.83 1.55 0.31 -1.26 -4.20 118.33 115.87 2jsc n VAL 93 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2jsc n VAL 93 Cb 0.19 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 -0.37 -1.11 -4.76 7.52 -0.00 -1.26 -5.07 117.00 111.95 2jsc n LEU 94 Ca -0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.57 2jsc n LEU 94 Cb 0.25 -0.55 -0.03 0.00 -0.00 0.00 0.00 43.42 43.08 2jsc n LEU 94 CO 0.05 0.00 0.87 0.00 -0.00 0.00 0.00 177.39 178.31 2jsc s ALA 95 N 0.00 3.44 0.38 1.96 0.00 -1.26 -5.04 121.76 121.25 2jsc s ALA 95 Ca 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 2jsc s ALA 95 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2jsc s ALA 95 CO 0.00 -0.35 0.78 0.14 0.00 0.00 0.00 175.76 176.33 2jsc s VAL 96 N -1.11 4.71 -1.76 0.00 -7.23 -1.26 -4.98 120.40 108.77 2jsc s VAL 96 Ca 0.46 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.45 2jsc s VAL 96 Cb -0.35 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 32.91 2jsc s VAL 96 CO 0.45 -0.41 0.88 -0.67 -0.31 0.00 0.00 175.10 175.04 2jsc n ASP 97 N -0.97 0.23 -2.68 4.85 2.03 -1.26 -4.17 116.55 114.59 2jsc n ASP 97 Ca 0.03 -1.98 -0.36 0.00 0.52 0.00 0.00 54.79 53.00 2jsc n ASP 97 Cb 0.54 -0.12 0.04 0.00 -0.72 0.00 0.00 41.12 40.86 2jsc n ASP 97 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jsc n THR 98 N -0.38 3.35 -1.50 5.18 -1.04 -1.26 -5.01 114.28 113.63 2jsc n THR 98 Ca 0.00 -4.11 -0.16 0.00 -2.04 0.00 0.00 64.05 57.74 2jsc n THR 98 Cb 0.06 -1.22 -0.14 0.00 -1.82 0.00 0.00 70.33 67.21 2jsc n THR 98 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jsc n ASP 99 N -0.62 0.09 -4.75 8.00 2.03 -1.26 -4.90 116.55 115.13 2jsc n ASP 99 Ca 0.53 -1.15 -0.28 0.00 0.52 0.00 0.00 54.79 54.41 2jsc n ASP 99 Cb 0.43 -1.11 -0.06 0.00 -0.72 0.00 0.00 41.12 39.66 2jsc n ASP 99 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2jsc s GLN 100 N 7.79 2.76 -0.29 -0.67 2.00 -1.26 -5.08 119.66 124.91 2jsc s GLN 100 Ca 1.02 -0.86 -0.22 0.00 -2.00 0.00 0.00 55.36 53.31 2jsc s GLN 100 Cb -0.43 -2.60 -0.01 0.00 0.80 0.00 0.00 33.01 30.77 2jsc s GLN 100 CO 0.29 0.51 0.70 -1.25 -0.50 0.00 0.00 175.29 175.04 2jsc s PRO 101 N -2.77 3.98 0.08 1.67 0.04 -1.26 -4.83 135.00 131.89 2jsc s PRO 101 Ca 0.29 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2jsc s PRO 101 Cb -0.11 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2jsc s PRO 101 CO 0.21 -0.58 0.00 0.00 0.04 0.00 0.00 177.00 176.68 2jsc n VAL 103 N -1.04 0.00 -2.28 0.00 3.14 -1.26 -4.90 118.33 112.00 2jsc n VAL 103 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2jsc n VAL 103 Cb 0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.85 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jsc s ALA 104 N 0.00 3.02 0.00 1.55 0.00 -1.26 -4.06 121.76 121.02 2jsc s ALA 104 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2jsc s ALA 104 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2jsc s ALA 104 CO 0.00 -2.42 0.00 -1.91 0.00 0.00 0.00 175.76 171.43 2jsc n GLU 105 N 8.12 0.00 0.00 0.00 2.13 -1.26 -5.26 120.64 124.37 2jsc n GLU 105 Ca 0.18 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.15 2jsc n GLU 105 Cb 0.48 0.00 0.83 0.00 0.27 0.00 0.00 31.44 33.01 2jsc n GLU 105 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26