#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 -0.35 -1.67 0.00 -0.00 -2.05 0.17 115.31 111.41 2jsc h LEU 11 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 2jsc h LEU 11 Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2jsc h LEU 11 CO 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 178.44 178.32 2jsc h ALA 12 N 1.42 1.00 0.13 0.17 0.00 -2.03 -0.81 119.26 119.14 2jsc h ALA 12 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 2jsc h ALA 12 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jsc h ALA 12 CO -0.43 0.00 -1.51 0.00 0.00 0.00 0.00 179.25 177.31 2jsc h ARG 13 N 0.00 0.27 -0.26 0.00 2.47 -1.31 -3.37 114.38 112.19 2jsc h ARG 13 Ca 0.00 -0.47 -0.02 0.00 -1.26 0.00 0.00 59.98 58.23 2jsc h ARG 13 Cb 0.34 0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 2jsc h ARG 13 CO 0.00 1.22 0.06 1.25 0.56 0.00 0.00 179.97 183.07 2jsc h LEU 14 N -0.21 0.39 -1.64 3.04 7.12 0.29 -0.98 115.31 123.33 2jsc h LEU 14 Ca -0.32 -0.23 0.00 0.00 0.13 0.00 0.00 57.88 57.46 2jsc h LEU 14 Cb 1.84 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.87 2jsc h LEU 14 CO 0.08 0.52 0.00 1.23 -0.13 0.00 0.00 178.44 180.14 2jsc h GLY 15 N 0.25 0.00 -3.91 3.75 0.00 -1.44 -0.44 103.07 101.28 2jsc h GLY 15 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.92 2jsc h GLY 15 CO 0.00 0.00 0.62 0.54 0.00 0.00 0.00 176.54 177.70 2jsc n ARG 16 N -2.83 2.24 0.00 4.80 1.74 -0.43 -2.55 116.66 119.62 2jsc n ARG 16 Ca -0.00 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 2jsc n ARG 16 Cb 0.21 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jsc n ALA 17 N -1.05 1.57 -0.07 7.54 0.00 -0.48 -4.89 120.51 123.12 2jsc n ALA 17 Ca 0.57 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.82 2jsc n ALA 17 Cb 1.62 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 20.96 2jsc n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsc n LEU 18 N -1.11 2.68 -3.11 0.00 4.77 -0.30 -4.07 117.00 115.87 2jsc n LEU 18 Ca 0.00 0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 2jsc n LEU 18 Cb 0.03 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 40.20 2jsc n LEU 18 CO 0.00 0.88 1.67 0.00 -1.33 0.00 0.00 177.39 178.61 2jsc n ALA 19 N -3.12 6.44 -2.81 -1.18 0.00 -1.06 -4.60 120.51 114.19 2jsc n ALA 19 Ca -0.39 -4.00 -0.20 0.00 0.00 0.00 0.00 53.44 48.85 2jsc n ALA 19 Cb 1.02 -2.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 2jsc n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jsc s ASP 20 N -0.58 1.17 0.00 0.00 -1.08 -1.26 -4.76 116.67 110.15 2jsc s ASP 20 Ca 0.50 -0.18 0.00 0.00 -0.52 0.00 0.00 52.55 52.35 2jsc s ASP 20 Cb 0.32 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.57 2jsc s ASP 20 CO -0.24 0.10 0.00 -0.81 0.52 0.00 0.00 175.17 174.73 2jsc n PRO 21 N 3.03 0.00 0.20 4.34 -0.04 -1.26 -1.19 135.00 140.07 2jsc n PRO 21 Ca -0.15 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2jsc n PRO 21 Cb 0.56 -0.08 0.76 0.00 -0.04 0.00 0.00 33.50 34.69 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 0.70 -0.06 0.52 1.35 -1.99 -3.15 112.91 110.28 2jsc h THR 22 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 2jsc h THR 22 Cb 0.00 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 2jsc h THR 22 CO 0.00 0.00 -0.82 -0.09 -0.25 0.00 0.00 175.52 174.36 2jsc h ARG 23 N 0.00 0.46 -0.51 4.72 2.43 -1.89 0.20 114.38 119.80 2jsc h ARG 23 Ca 0.08 -0.42 -0.09 0.00 -0.81 0.00 0.00 59.98 58.74 2jsc h ARG 23 Cb 0.35 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2jsc h ARG 23 CO -0.00 1.06 -0.03 0.00 -1.51 0.00 0.00 179.97 179.50 2jsc h ARG 25 N 0.81 1.00 -0.04 0.00 3.08 -1.42 -0.20 114.38 117.60 2jsc h ARG 25 Ca 0.15 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2jsc h ARG 25 Cb 0.52 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2jsc h ARG 25 CO 0.03 0.66 0.02 0.82 -1.07 0.00 0.00 179.97 180.43 2jsc h ILE 26 N 1.03 1.09 -0.21 2.04 1.08 -0.11 -2.22 117.51 120.20 2jsc h ILE 26 Ca 0.38 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.60 2jsc h ILE 26 Cb 0.19 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 2jsc h ILE 26 CO -0.14 0.08 0.09 -0.07 -0.69 0.00 0.00 178.15 177.41 2jsc h LEU 27 N -0.04 0.11 -1.70 1.44 3.38 -0.64 -2.42 115.31 115.44 2jsc h LEU 27 Ca 0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jsc h LEU 27 Cb 0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2jsc h LEU 27 CO -0.00 0.10 -0.02 1.62 0.09 0.00 0.00 178.44 180.23 2jsc h VAL 28 N 0.20 0.05 0.00 1.22 3.04 -1.05 -1.43 116.25 118.27 2jsc h VAL 28 Ca 0.09 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2jsc h VAL 28 Cb 0.04 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2jsc h VAL 28 CO -0.08 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 176.50 2jsc h ALA 29 N 1.98 1.00 0.00 3.17 0.00 -0.91 -3.07 119.26 121.44 2jsc h ALA 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jsc h ALA 29 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jsc h ALA 29 CO 0.00 0.00 -0.91 1.28 0.00 0.00 0.00 179.25 179.63 2jsc n LEU 30 N -2.59 0.63 0.32 0.00 4.32 -0.56 -1.06 117.00 118.06 2jsc n LEU 30 Ca 0.03 -0.03 0.21 0.00 -0.02 0.00 0.00 56.01 56.20 2jsc n LEU 30 Cb 0.38 -0.12 1.08 0.00 -1.62 0.00 0.00 43.42 43.13 2jsc n LEU 30 CO 0.28 0.06 1.14 -0.07 -1.22 0.00 0.00 177.39 177.58 2jsc h LEU 31 N 0.00 0.00 0.00 2.23 3.38 -1.39 -3.40 115.31 116.13 2jsc h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jsc h LEU 31 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2jsc h LEU 31 CO 0.00 0.01 -0.14 -0.67 0.09 0.00 0.00 178.44 177.72 2jsc n ASP 32 N -3.21 1.19 0.00 -0.43 -0.08 -1.23 -5.05 116.55 107.75 2jsc n ASP 32 Ca -0.02 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2jsc n ASP 32 Cb 0.12 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.19 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jsc n GLY 33 N 3.19 0.74 2.61 0.27 0.00 -0.22 -4.91 105.19 106.87 2jsc n GLY 33 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.35 -0.57 0.01 1.61 0.24 -1.26 -4.86 118.33 113.15 2jsc n VAL 34 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2jsc n VAL 34 Cb 0.00 -1.51 -0.00 0.00 -1.47 0.00 0.00 33.84 30.86 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 -1.50 0.39 -0.10 0.00 2.02 -1.26 -4.20 117.35 112.70 2jsc s TYR 36 Ca -0.01 -0.82 -0.30 0.00 -0.37 0.00 0.00 57.07 55.57 2jsc s TYR 36 Cb 0.00 -0.29 -0.08 0.00 -0.40 0.00 0.00 41.96 41.20 2jsc s TYR 36 CO 0.02 -0.34 2.08 -0.35 -1.57 0.00 0.00 175.55 175.40 2jsc n PRO 37 N 0.59 2.35 -0.19 -1.71 -0.04 -1.26 -1.60 135.00 133.15 2jsc n PRO 37 Ca -0.17 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 2jsc n PRO 37 Cb 0.59 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.15 0.60 0.22 0.55 0.00 -1.26 -4.96 105.19 105.49 2jsc n GLY 38 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.32 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 4.51 0.06 -0.09 1.61 -0.00 -1.72 -2.62 115.11 116.85 2jsc h GLN 39 Ca 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.66 2jsc h GLN 39 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.47 2jsc h GLN 39 CO 0.00 0.25 0.20 -0.07 -0.00 0.00 0.00 178.83 179.20 2jsc h LEU 40 N 0.05 0.00 -1.29 0.06 4.07 -1.93 -1.36 115.31 114.91 2jsc h LEU 40 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2jsc h LEU 40 Cb 0.37 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 2jsc h LEU 40 CO 0.03 0.00 0.45 0.00 -1.08 0.00 0.00 178.44 177.83 2jsc h ALA 41 N 1.70 1.48 -0.28 1.53 0.00 -1.65 -1.13 119.26 120.91 2jsc h ALA 41 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2jsc h ALA 41 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jsc h ALA 41 CO -0.00 0.47 -0.47 0.00 0.00 0.00 0.00 179.25 179.25 2jsc h ALA 42 N 1.55 0.64 -0.58 0.00 0.00 -1.45 -0.97 119.26 118.44 2jsc h ALA 42 Ca 0.25 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 42 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2jsc h ALA 42 CO -0.05 0.68 0.10 0.45 0.00 0.00 0.00 179.25 180.42 2jsc h HIS 43 N 0.59 0.98 0.00 0.00 -0.00 -1.50 -3.32 115.15 111.90 2jsc h HIS 43 Ca 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 2jsc h HIS 43 Cb 1.04 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 2jsc h HIS 43 CO 0.05 0.84 -1.44 1.28 -0.00 0.00 0.00 177.93 178.66 2jsc n LEU 44 N -4.24 0.54 -1.55 2.43 4.77 -0.47 -4.98 117.00 113.50 2jsc n LEU 44 Ca 0.04 -0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 55.61 2jsc n LEU 44 Cb 0.27 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2jsc n LEU 44 CO 0.41 0.13 -0.18 0.61 -1.33 0.00 0.00 177.39 177.03 2jsc n GLY 45 N 1.39 0.59 3.11 -0.72 0.00 -0.38 -5.02 105.19 104.16 2jsc n GLY 45 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.15 1.87 0.84 0.99 1.43 -1.15 -5.06 118.68 113.44 2jsc s LEU 46 Ca 0.00 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 2jsc s LEU 46 Cb 0.00 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.28 2jsc s LEU 46 CO 0.00 0.13 0.32 0.35 0.23 0.00 0.00 176.35 177.38 2jsc n THR 47 N 3.26 0.81 0.09 5.49 -2.24 -1.26 -4.28 114.28 116.14 2jsc n THR 47 Ca -0.19 -0.33 0.20 0.00 -2.27 0.00 0.00 64.05 61.47 2jsc n THR 47 Cb 0.53 -0.59 0.75 0.00 -2.10 0.00 0.00 70.33 68.92 2jsc n THR 47 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jsc h ARG 48 N -0.91 0.00 0.07 -0.78 2.43 -1.95 0.19 114.38 113.44 2jsc h ARG 48 Ca -0.44 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.63 2jsc h ARG 48 Cb 1.32 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2jsc h ARG 48 CO 0.37 0.00 -0.42 0.77 -1.51 0.00 0.00 179.97 179.18 2jsc h SER 49 N 0.00 0.24 0.27 -3.80 0.02 -1.99 -2.45 113.55 105.84 2jsc h SER 49 Ca 0.20 -0.98 -0.01 0.00 -0.84 0.00 0.00 61.79 60.16 2jsc h SER 49 Cb 1.05 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2jsc h SER 49 CO -0.00 1.20 -0.13 0.78 -1.14 0.00 0.00 176.83 177.54 2jsc h ASN 50 N -0.68 -0.30 -0.91 3.07 4.21 -1.62 -1.14 115.58 118.20 2jsc h ASN 50 Ca -0.07 0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.48 2jsc h ASN 50 Cb 1.33 0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 38.55 2jsc h ASN 50 CO 0.08 -0.21 0.60 0.58 -1.29 0.00 0.00 177.43 177.18 2jsc h VAL 51 N -0.36 1.16 -0.69 2.81 2.07 -0.81 -2.09 116.25 118.34 2jsc h VAL 51 Ca -0.04 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2jsc h VAL 51 Cb 0.28 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 2jsc h VAL 51 CO 0.06 0.21 0.15 0.28 0.02 0.00 0.00 177.57 178.29 2jsc h SER 52 N 1.15 1.06 0.04 0.57 0.02 -1.14 -0.83 113.55 114.42 2jsc h SER 52 Ca 0.36 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2jsc h SER 52 Cb 0.01 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2jsc h SER 52 CO -0.11 1.02 -0.16 0.78 -1.14 0.00 0.00 176.83 177.22 2jsc h ASN 53 N 1.05 -0.46 -0.91 3.07 2.35 -0.61 0.30 115.58 120.37 2jsc h ASN 53 Ca 0.22 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 2jsc h ASN 53 Cb 0.39 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 2jsc h ASN 53 CO 0.01 -0.23 0.52 0.45 -1.65 0.00 0.00 177.43 176.53 2jsc h HIS 54 N -0.29 1.23 0.00 1.19 3.86 -1.29 -2.17 115.15 117.68 2jsc h HIS 54 Ca 0.04 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2jsc h HIS 54 Cb 0.33 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 2jsc h HIS 54 CO -0.20 0.83 -0.24 -0.07 0.86 0.00 0.00 177.93 179.12 2jsc h LEU 55 N 1.27 0.00 0.65 2.43 3.38 -0.87 -3.31 115.31 118.86 2jsc h LEU 55 Ca 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2jsc h LEU 55 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jsc h LEU 55 CO -0.06 0.24 -0.34 -1.28 0.09 0.00 0.00 178.44 177.09 2jsc h SER 56 N 0.00 -0.82 0.45 -0.43 0.87 -0.25 0.40 113.55 113.76 2jsc h SER 56 Ca -0.00 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 2jsc h SER 56 Cb 0.59 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2jsc h SER 56 CO 0.03 -0.56 -0.35 0.00 -0.53 0.00 0.00 176.83 175.42 2jsc h LEU 58 N 0.00 0.62 -0.54 0.00 5.85 -1.45 0.15 115.31 119.94 2jsc h LEU 58 Ca -0.00 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 2jsc h LEU 58 Cb 0.67 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2jsc h LEU 58 CO 0.05 0.49 -0.67 0.03 -0.34 0.00 0.00 178.44 178.00 2jsc h ARG 59 N 0.72 0.00 0.00 1.25 3.08 -0.72 -0.20 114.38 118.52 2jsc h ARG 59 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2jsc h ARG 59 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2jsc h ARG 59 CO -0.03 0.67 -0.00 0.78 -1.07 0.00 0.00 179.97 180.31 2jsc h GLY 60 N 2.30 -0.01 1.20 0.04 0.00 -0.98 -3.06 103.07 102.57 2jsc h GLY 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 60 CO 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 2jsc n GLY 62 N -0.27 0.52 0.38 0.00 0.00 -0.99 -4.84 105.19 99.99 2jsc n GLY 62 Ca 0.08 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 -8.83 0.99 3.38 -1.37 -3.36 115.31 106.13 2jsc h LEU 63 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2jsc h LEU 63 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 2jsc h LEU 63 CO 0.00 0.00 -0.81 0.68 0.09 0.00 0.00 178.44 178.40 2jsc s VAL 64 N -4.61 1.91 0.04 1.22 -7.23 -0.57 -1.06 120.40 110.09 2jsc s VAL 64 Ca -0.04 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2jsc s VAL 64 Cb 0.15 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2jsc s VAL 64 CO 0.54 -0.19 0.05 0.68 -0.31 0.00 0.00 175.10 175.87 2jsc s VAL 65 N -1.68 0.15 0.46 1.32 -7.23 0.16 -4.16 120.40 109.41 2jsc s VAL 65 Ca 0.14 -1.22 -0.18 0.00 -1.81 0.00 0.00 61.98 58.90 2jsc s VAL 65 Cb -0.08 -0.93 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 2jsc s VAL 65 CO 0.06 -0.68 0.94 0.00 -0.31 0.00 0.00 175.10 175.12 2jsc s ALA 66 N -2.73 3.08 0.03 1.32 0.00 -1.26 -1.29 121.76 120.91 2jsc s ALA 66 Ca -0.04 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 2jsc s ALA 66 Cb -0.01 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2jsc s ALA 66 CO -0.05 -0.01 0.06 2.41 0.00 0.00 0.00 175.76 178.17 2jsc n THR 67 N -1.02 0.00 -4.44 0.00 -1.04 -1.08 -4.92 114.28 101.79 2jsc n THR 67 Ca 0.06 -0.10 -0.24 0.00 -2.04 0.00 0.00 64.05 61.74 2jsc n THR 67 Cb 0.54 0.09 -0.11 0.00 -1.82 0.00 0.00 70.33 69.03 2jsc n THR 67 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2jsc s TYR 68 N -7.82 2.21 0.00 -1.42 1.51 -1.26 -0.51 117.35 110.06 2jsc s TYR 68 Ca 0.02 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 2jsc s TYR 68 Cb -0.00 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 2jsc s TYR 68 CO 0.01 0.60 0.00 -0.85 -1.11 0.00 0.00 175.55 174.20 2jsc n GLU 69 N -0.28 3.93 0.08 -0.62 -0.00 0.14 -4.74 120.64 119.15 2jsc n GLU 69 Ca -0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 57.16 2jsc n GLU 69 Cb 0.59 0.00 0.36 0.00 -0.00 0.00 0.00 31.44 32.39 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 5.00 -0.94 0.00 -1.84 0.00 -1.26 -4.37 105.19 101.77 2jsc n GLY 70 Ca 0.00 0.06 0.00 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 -1.90 0.00 -2.98 1.61 0.63 -1.26 -5.16 116.66 107.60 2jsc n ARG 71 Ca 0.01 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.77 2jsc n ARG 71 Cb 0.12 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.04 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2jsc s GLN 72 N -0.67 2.77 0.62 -0.14 1.11 -1.26 -5.13 119.66 116.96 2jsc s GLN 72 Ca 0.00 -1.24 -0.10 0.00 0.01 0.00 0.00 55.36 54.03 2jsc s GLN 72 Cb 0.00 -2.73 -0.03 0.00 -1.01 0.00 0.00 33.01 29.24 2jsc s GLN 72 CO 0.00 -0.35 1.02 0.14 0.01 0.00 0.00 175.29 176.11 2jsc s VAL 73 N -2.41 4.50 0.36 1.09 -7.23 -1.26 -0.69 120.40 114.77 2jsc s VAL 73 Ca 0.56 0.73 0.04 0.00 -1.81 0.00 0.00 61.98 61.50 2jsc s VAL 73 Cb -0.10 -3.79 -0.06 0.00 0.56 0.00 0.00 36.38 32.99 2jsc s VAL 73 CO 0.34 -1.02 0.06 0.00 -0.31 0.00 0.00 175.10 174.17 2jsc s ARG 74 N -5.17 1.78 -0.14 4.82 1.70 0.33 -4.02 118.95 118.25 2jsc s ARG 74 Ca 0.55 -2.02 0.01 0.00 -0.47 0.00 0.00 55.73 53.80 2jsc s ARG 74 Cb -0.11 -0.99 0.02 0.00 -0.57 0.00 0.00 34.95 33.30 2jsc s ARG 74 CO 0.53 -0.22 -0.16 0.71 -1.08 0.00 0.00 175.30 175.08 2jsc s TYR 75 N -3.17 2.22 0.28 5.89 2.02 -1.26 -2.63 117.35 120.69 2jsc s TYR 75 Ca 0.32 -1.19 0.04 0.00 -0.37 0.00 0.00 57.07 55.87 2jsc s TYR 75 Cb 0.08 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.98 2jsc s TYR 75 CO 0.15 -0.62 0.02 0.00 -1.57 0.00 0.00 175.55 173.52 2jsc s ALA 76 N 1.27 2.13 0.82 3.71 0.00 -0.41 -4.25 121.76 125.03 2jsc s ALA 76 Ca 0.01 -1.92 -0.13 0.00 0.00 0.00 0.00 51.96 49.92 2jsc s ALA 76 Cb -0.14 0.54 0.09 0.00 0.00 0.00 0.00 23.12 23.62 2jsc s ALA 76 CO -0.08 -0.26 1.19 -0.51 0.00 0.00 0.00 175.76 176.11 2jsc s LEU 77 N -3.41 3.09 0.12 0.00 1.43 -1.26 -0.67 118.68 117.99 2jsc s LEU 77 Ca 0.33 2.33 -0.22 0.00 -1.03 0.00 0.00 54.13 55.53 2jsc s LEU 77 Cb 0.07 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 2jsc s LEU 77 CO 0.12 -2.72 1.69 0.00 0.23 0.00 0.00 176.35 175.67 2jsc h ALA 78 N -1.06 -0.06 -2.65 4.21 0.00 -1.24 -3.41 119.26 115.05 2jsc h ALA 78 Ca -0.46 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.60 2jsc h ALA 78 Cb 1.29 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 2jsc h ALA 78 CO 0.45 -0.58 0.41 0.16 0.00 0.00 0.00 179.25 179.70 2jsc s ASP 79 N -5.08 -0.12 0.30 0.00 -4.77 -1.26 -4.98 116.67 100.76 2jsc s ASP 79 Ca -0.14 -0.65 0.05 0.00 -3.30 0.00 0.00 52.55 48.51 2jsc s ASP 79 Cb 0.09 0.61 0.79 0.00 -1.09 0.00 0.00 42.92 43.32 2jsc s ASP 79 CO 0.67 -1.17 1.69 -1.28 0.70 0.00 0.00 175.17 175.78 2jsc h SER 80 N 2.00 0.33 -0.57 2.11 0.87 -1.98 -2.36 113.55 113.94 2jsc h SER 80 Ca -0.25 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2jsc h SER 80 Cb 1.24 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 2jsc h SER 80 CO 0.30 -0.04 0.18 0.45 -0.53 0.00 0.00 176.83 177.20 2jsc h HIS 81 N 0.37 0.92 -0.12 2.24 3.86 -1.98 0.94 115.15 121.37 2jsc h HIS 81 Ca 0.59 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.61 2jsc h HIS 81 Cb 1.16 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.37 2jsc h HIS 81 CO -0.13 0.77 -0.30 -0.07 0.86 0.00 0.00 177.93 179.06 2jsc h LEU 82 N 0.80 0.48 -1.44 2.43 3.38 -1.90 -1.51 115.31 117.55 2jsc h LEU 82 Ca 0.18 -0.58 0.18 0.00 0.09 0.00 0.00 57.88 57.75 2jsc h LEU 82 Cb 0.28 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2jsc h LEU 82 CO -0.01 0.97 0.57 0.00 0.09 0.00 0.00 178.44 180.06 2jsc h ALA 83 N 0.52 2.06 0.13 1.53 0.00 -1.33 -0.76 119.26 121.41 2jsc h ALA 83 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jsc h ALA 83 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jsc h ALA 83 CO 0.07 -0.32 -0.06 -0.09 0.00 0.00 0.00 179.25 178.84 2jsc h ARG 84 N 0.50 -0.16 -0.01 0.00 9.65 -0.74 -2.03 114.38 121.58 2jsc h ARG 84 Ca 0.45 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.27 2jsc h ARG 84 Cb 0.97 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 2jsc h ARG 84 CO -0.18 -0.11 -0.33 0.00 2.80 0.00 0.00 179.97 182.15 2jsc h ALA 85 N -1.77 1.43 -0.05 2.80 0.00 -1.14 -0.34 119.26 120.18 2jsc h ALA 85 Ca -0.02 -0.31 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 2jsc h ALA 85 Cb 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jsc h ALA 85 CO 0.03 0.43 -0.95 1.25 0.00 0.00 0.00 179.25 180.01 2jsc h LEU 86 N 0.02 0.89 -0.56 0.00 6.46 -1.32 -3.13 115.31 117.67 2jsc h LEU 86 Ca 0.00 -0.67 0.04 0.00 -0.12 0.00 0.00 57.88 57.13 2jsc h LEU 86 Cb 0.60 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2jsc h LEU 86 CO 0.04 1.47 0.31 1.23 -0.62 0.00 0.00 178.44 180.87 2jsc h GLY 87 N 0.53 0.80 -0.50 3.75 0.00 -0.34 -1.19 103.07 106.12 2jsc h GLY 87 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2jsc h GLY 87 CO 0.19 0.16 0.00 -1.84 0.00 0.00 0.00 176.54 175.04 2jsc n GLU 88 N -4.82 1.58 -0.56 4.80 0.28 -0.46 -5.04 120.64 116.41 2jsc n GLU 88 Ca 0.05 -0.87 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 2jsc n GLU 88 Cb 0.12 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.61 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 0.09 -1.17 0.27 -1.84 7.94 -0.45 -4.66 117.00 117.18 2jsc n LEU 89 Ca 0.16 1.05 0.02 0.00 -1.11 0.00 0.00 56.01 56.13 2jsc n LEU 89 Cb 0.28 -0.42 0.03 0.00 0.53 0.00 0.00 43.42 43.84 2jsc n LEU 89 CO 0.13 0.02 0.93 1.33 -1.11 0.00 0.00 177.39 178.69 2jsc n VAL 90 N -1.25 0.00 0.00 1.96 0.24 -1.23 -4.75 118.33 113.29 2jsc n VAL 90 Ca 0.00 0.93 0.00 0.00 -2.04 0.00 0.00 64.34 63.23 2jsc n VAL 90 Cb 0.05 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 30.58 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 -2.38 0.00 -0.04 7.34 -0.06 -1.26 -4.77 117.38 116.21 2jsc n GLN 91 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 2jsc n GLN 91 Cb 0.95 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.13 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 0.22 0.00 1.69 3.14 -1.26 -4.67 118.33 117.45 2jsc n VAL 92 Ca 0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2jsc n VAL 92 Cb 0.00 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 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 1.60 0.00 0.00 1.55 0.31 -1.26 -3.62 118.33 116.91 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 -4.74 7.52 0.00 -1.26 -5.10 117.00 113.42 2jsc n LEU 94 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 2jsc n LEU 94 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2jsc n LEU 94 CO 0.00 0.00 1.29 0.00 0.00 0.00 0.00 177.39 178.68 2jsc n ALA 95 N 0.43 2.71 -1.96 1.96 0.00 -1.24 -4.92 120.51 117.50 2jsc n ALA 95 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 2jsc n ALA 95 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 2jsc n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jsc s VAL 96 N 0.30 3.70 0.59 0.00 1.01 -1.26 -4.95 120.40 119.79 2jsc s VAL 96 Ca 0.67 1.54 0.36 0.00 0.00 0.00 0.00 61.98 64.54 2jsc s VAL 96 Cb -0.49 -3.98 0.39 0.00 0.00 0.00 0.00 36.38 32.30 2jsc s VAL 96 CO 0.44 0.30 2.28 0.44 0.00 0.00 0.00 175.10 178.56 2jsc h ASP 97 N 4.69 0.00 -2.49 3.32 3.32 -2.01 -3.43 116.42 119.82 2jsc h ASP 97 Ca -0.45 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.04 2jsc h ASP 97 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2jsc h ASP 97 CO 0.71 0.01 1.20 0.42 -1.72 0.00 0.00 179.24 179.86 2jsc s THR 98 N -4.38 3.37 -1.72 0.35 -4.23 -1.26 -4.87 115.64 102.89 2jsc s THR 98 Ca -0.05 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2jsc s THR 98 Cb 0.14 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2jsc s THR 98 CO 0.50 -0.10 0.41 -0.90 -0.54 0.00 0.00 174.62 173.98 2jsc n ASP 99 N 8.31 0.13 -4.81 3.99 5.75 -1.26 -4.90 116.55 123.75 2jsc n ASP 99 Ca 0.20 -0.95 -0.31 0.00 -0.01 0.00 0.00 54.79 53.72 2jsc n ASP 99 Cb 0.43 -0.07 0.05 0.00 -1.03 0.00 0.00 41.12 40.51 2jsc n ASP 99 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2jsc s GLN 100 N -1.72 2.89 0.26 0.11 -1.52 -1.26 -5.02 119.66 113.40 2jsc s GLN 100 Ca 0.00 1.02 -0.30 0.00 -1.95 0.00 0.00 55.36 54.13 2jsc s GLN 100 Cb 0.00 -1.98 -0.10 0.00 -0.22 0.00 0.00 33.01 30.71 2jsc s GLN 100 CO 0.00 -1.14 1.41 -1.25 -0.25 0.00 0.00 175.29 174.06 2jsc s PRO 101 N -4.90 4.29 0.19 2.91 0.04 -1.26 -4.94 135.00 131.34 2jsc s PRO 101 Ca 0.59 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.79 2jsc s PRO 101 Cb -0.15 -3.11 0.21 0.00 0.04 0.00 0.00 34.50 31.49 2jsc s PRO 101 CO 0.53 -0.37 1.77 0.00 0.04 0.00 0.00 177.00 178.97 2jsc n VAL 103 N -4.92 0.00 1.43 0.00 3.14 -1.26 -5.03 118.33 111.69 2jsc n VAL 103 Ca 0.07 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.47 2jsc n VAL 103 Cb 0.20 0.00 0.17 0.00 -1.06 0.00 0.00 33.84 33.15 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 0.00 2.25 -2.30 1.55 0.00 -1.26 -4.75 120.51 116.00 2jsc n ALA 104 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 2jsc n ALA 104 Cb 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 2jsc n ALA 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jsc s GLU 105 N -2.00 0.82 0.00 0.00 2.02 -1.26 -5.18 118.70 113.10 2jsc s GLU 105 Ca 0.09 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2jsc s GLU 105 Cb 0.04 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.54 2jsc s GLU 105 CO 0.07 -0.23 0.00 -2.13 0.02 0.00 0.00 175.26 172.99