#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 0.77 -0.64 0.00 -0.00 -2.03 -0.01 115.31 113.39 2jsc h LEU 11 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2jsc h LEU 11 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2jsc h LEU 11 CO 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 2jsc h ALA 12 N 1.57 1.00 0.00 0.17 0.00 -2.04 -0.43 119.26 119.54 2jsc h ALA 12 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2jsc h ALA 12 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jsc h ALA 12 CO -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 178.87 2jsc h ARG 13 N 0.00 0.00 0.35 0.00 -0.00 -1.73 -3.36 114.38 109.64 2jsc h ARG 13 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2jsc h ARG 13 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.63 2jsc h ARG 13 CO 0.00 0.28 -0.33 1.25 0.00 0.00 0.00 179.97 181.16 2jsc h LEU 14 N -1.00 -0.91 -1.32 3.04 7.12 -0.94 -1.62 115.31 119.68 2jsc h LEU 14 Ca -0.02 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 2jsc h LEU 14 Cb 0.38 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 40.78 2jsc h LEU 14 CO -0.01 -0.44 0.35 1.23 -0.13 0.00 0.00 178.44 179.43 2jsc h GLY 15 N -0.68 0.86 0.63 3.75 0.00 -1.32 -2.04 103.07 104.29 2jsc h GLY 15 Ca -0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2jsc h GLY 15 CO -0.03 0.35 -0.03 -0.09 0.00 0.00 0.00 176.54 176.73 2jsc h ARG 16 N 0.82 -0.08 0.00 4.80 2.43 -1.68 -0.61 114.38 120.06 2jsc h ARG 16 Ca 0.21 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2jsc h ARG 16 Cb -0.01 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2jsc h ARG 16 CO -0.04 0.28 -0.03 0.00 -1.51 0.00 0.00 179.97 178.67 2jsc h ALA 17 N 0.45 1.65 0.00 2.80 0.00 -0.89 -1.47 119.26 121.81 2jsc h ALA 17 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jsc h ALA 17 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jsc h ALA 17 CO 0.01 0.04 -0.68 1.28 0.00 0.00 0.00 179.25 179.90 2jsc n LEU 18 N -4.07 0.60 0.20 0.00 4.32 -0.80 -3.70 117.00 113.55 2jsc n LEU 18 Ca -0.03 0.04 0.12 0.00 -0.02 0.00 0.00 56.01 56.11 2jsc n LEU 18 Cb 0.12 -0.18 0.14 0.00 -1.62 0.00 0.00 43.42 41.87 2jsc n LEU 18 CO 0.30 0.06 0.68 0.00 -1.22 0.00 0.00 177.39 177.21 2jsc h ALA 19 N 2.75 0.91 -2.81 -1.18 0.00 -0.03 -3.41 119.26 115.50 2jsc h ALA 19 Ca 0.00 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 2jsc h ALA 19 Cb 0.62 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jsc h ALA 19 CO 0.00 0.02 0.51 -0.51 0.00 0.00 0.00 179.25 179.27 2jsc s ASP 20 N -6.09 7.11 0.00 0.00 1.01 -1.02 -5.02 116.67 112.67 2jsc s ASP 20 Ca 0.06 2.35 0.00 0.00 0.71 0.00 0.00 52.55 55.67 2jsc s ASP 20 Cb 0.06 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2jsc s ASP 20 CO 0.69 -0.26 0.26 -0.81 0.21 0.00 0.00 175.17 175.26 2jsc n PRO 21 N 1.01 0.00 0.15 8.23 -0.04 -1.26 -2.65 135.00 140.44 2jsc n PRO 21 Ca -0.00 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2jsc n PRO 21 Cb 0.44 -0.76 0.52 0.00 -0.04 0.00 0.00 33.50 33.67 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 0.00 -0.45 0.52 2.02 -1.96 -3.26 112.91 109.78 2jsc h THR 22 Ca 0.00 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 2jsc h THR 22 Cb 0.00 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2jsc h THR 22 CO 0.00 0.00 -0.26 -0.09 0.37 0.00 0.00 175.52 175.54 2jsc h ARG 23 N 0.00 0.97 -0.99 6.66 2.43 -1.81 0.28 114.38 121.92 2jsc h ARG 23 Ca 0.00 -0.44 0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2jsc h ARG 23 Cb 0.40 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2jsc h ARG 23 CO 0.00 1.11 0.65 0.00 -1.51 0.00 0.00 179.97 180.22 2jsc h ARG 25 N 1.29 0.94 -0.77 0.00 2.47 -1.54 -2.97 114.38 113.80 2jsc h ARG 25 Ca 0.38 -0.32 0.15 0.00 -1.26 0.00 0.00 59.98 58.94 2jsc h ARG 25 Cb -0.07 -0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 28.07 2jsc h ARG 25 CO -0.10 0.98 0.29 0.82 0.56 0.00 0.00 179.97 182.51 2jsc h ILE 26 N 0.80 0.61 0.00 2.04 1.08 -0.13 0.16 117.51 122.07 2jsc h ILE 26 Ca 0.14 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2jsc h ILE 26 Cb 0.58 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2jsc h ILE 26 CO 0.03 0.07 -0.13 -0.07 -0.69 0.00 0.00 178.15 177.37 2jsc h LEU 27 N 0.41 0.00 -0.14 1.44 3.38 -1.30 -2.00 115.31 117.10 2jsc h LEU 27 Ca 0.43 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.22 2jsc h LEU 27 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2jsc h LEU 27 CO -0.44 0.13 -0.89 1.62 0.09 0.00 0.00 178.44 178.95 2jsc h VAL 28 N 0.00 1.59 -0.03 1.22 3.04 -0.62 -3.01 116.25 118.44 2jsc h VAL 28 Ca -0.00 -3.09 -0.17 0.00 -1.01 0.00 0.00 66.70 62.43 2jsc h VAL 28 Cb 0.36 2.69 -0.01 0.00 -2.01 0.00 0.00 31.29 32.32 2jsc h VAL 28 CO 0.02 0.87 -0.73 0.00 -1.01 0.00 0.00 177.57 176.72 2jsc h ALA 29 N 1.11 0.71 0.00 3.17 0.00 -0.39 -3.11 119.26 120.76 2jsc h ALA 29 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jsc h ALA 29 Cb 1.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2jsc h ALA 29 CO 0.12 0.82 -0.31 1.28 0.00 0.00 0.00 179.25 181.16 2jsc n LEU 30 N -3.76 0.33 0.31 0.00 4.32 -0.93 -0.86 117.00 116.42 2jsc n LEU 30 Ca -0.03 0.21 0.18 0.00 -0.02 0.00 0.00 56.01 56.35 2jsc n LEU 30 Cb 0.70 -0.34 1.02 0.00 -1.62 0.00 0.00 43.42 43.18 2jsc n LEU 30 CO 0.46 0.06 1.15 0.25 -1.22 0.00 0.00 177.39 178.08 2jsc h LEU 31 N 0.00 0.00 0.00 2.23 6.46 -1.45 -3.38 115.31 119.17 2jsc h LEU 31 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jsc h LEU 31 Cb 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2jsc h LEU 31 CO 0.00 0.00 -0.04 -0.67 -0.62 0.00 0.00 178.44 177.11 2jsc n ASP 32 N -3.59 0.80 0.00 1.25 -0.08 -1.19 -5.02 116.55 108.71 2jsc n ASP 32 Ca -0.03 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 2jsc n ASP 32 Cb 0.08 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.37 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 3.06 -1.06 3.13 0.27 0.00 -0.04 -4.91 105.19 105.64 2jsc n GLY 33 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.28 -0.51 -0.08 1.61 0.24 -1.26 -4.85 118.33 112.20 2jsc n VAL 34 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 2jsc n VAL 34 Cb 0.00 -1.12 -0.11 0.00 -1.47 0.00 0.00 33.84 31.15 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 -2.17 -0.41 -0.39 0.00 -0.85 -1.26 -4.24 117.35 108.03 2jsc s TYR 36 Ca -0.19 0.40 -0.27 0.00 -0.52 0.00 0.00 57.07 56.49 2jsc s TYR 36 Cb -0.00 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 2jsc s TYR 36 CO 0.56 -0.56 2.24 -1.25 -1.52 0.00 0.00 175.55 175.02 2jsc s PRO 37 N -2.66 2.61 0.00 -3.49 0.04 -1.25 -1.10 135.00 129.15 2jsc s PRO 37 Ca 0.02 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2jsc s PRO 37 Cb -0.01 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2jsc s PRO 37 CO -0.06 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.69 2jsc n GLY 38 N 5.84 1.28 0.34 0.56 0.00 -1.26 -4.99 105.19 106.96 2jsc n GLY 38 Ca 0.32 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 1.18 0.48 0.00 1.61 -0.00 -1.53 -1.83 115.11 115.03 2jsc h GLN 39 Ca 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2jsc h GLN 39 Cb 0.00 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.37 2jsc h GLN 39 CO 0.00 0.32 -0.01 -0.07 -0.00 0.00 0.00 178.83 179.06 2jsc h LEU 40 N 0.50 0.00 -1.18 0.06 4.07 -1.94 -2.57 115.31 114.25 2jsc h LEU 40 Ca 0.24 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 2jsc h LEU 40 Cb 0.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2jsc h LEU 40 CO -0.07 0.01 -0.41 0.00 -1.08 0.00 0.00 178.44 176.90 2jsc h ALA 41 N 1.99 1.32 -0.12 1.53 0.00 -1.51 -0.33 119.26 122.14 2jsc h ALA 41 Ca -0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2jsc h ALA 41 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jsc h ALA 41 CO 0.00 0.51 -0.34 0.00 0.00 0.00 0.00 179.25 179.42 2jsc h ALA 42 N 1.59 0.20 -0.47 0.00 0.00 -1.63 -1.68 119.26 117.26 2jsc h ALA 42 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2jsc h ALA 42 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2jsc h ALA 42 CO 0.05 0.26 0.16 0.45 0.00 0.00 0.00 179.25 180.17 2jsc h HIS 43 N 0.02 0.68 0.00 0.00 -0.00 -1.49 -3.24 115.15 111.12 2jsc h HIS 43 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2jsc h HIS 43 Cb 0.96 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 2jsc h HIS 43 CO 0.11 0.56 -1.47 1.28 -0.00 0.00 0.00 177.93 178.40 2jsc n LEU 44 N -4.34 0.30 0.00 2.43 4.77 -0.17 -5.00 117.00 114.99 2jsc n LEU 44 Ca 0.03 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2jsc n LEU 44 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2jsc n LEU 44 CO 0.38 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2jsc n GLY 45 N 1.45 1.10 3.76 -0.72 0.00 -0.63 -5.02 105.19 105.13 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 3.78 0.65 0.99 1.02 -1.23 -5.00 118.68 118.89 2jsc s LEU 46 Ca 0.00 0.02 -0.17 0.00 0.02 0.00 0.00 54.13 54.00 2jsc s LEU 46 Cb 0.00 -2.38 -0.03 0.00 0.02 0.00 0.00 46.19 43.80 2jsc s LEU 46 CO 0.00 0.21 0.90 1.07 0.02 0.00 0.00 176.35 178.54 2jsc n THR 47 N 0.72 3.25 0.15 5.49 5.66 -1.26 -4.29 114.28 124.00 2jsc n THR 47 Ca -0.10 -0.45 0.18 0.00 -3.05 0.00 0.00 64.05 60.62 2jsc n THR 47 Cb 0.52 -1.07 0.66 0.00 -1.55 0.00 0.00 70.33 68.89 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 0.14 0.00 0.38 1.09 0.11 -1.92 0.58 114.38 114.76 2jsc h ARG 48 Ca -0.48 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2jsc h ARG 48 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2jsc h ARG 48 CO 0.48 0.00 -0.18 0.77 0.10 0.00 0.00 179.97 181.14 2jsc h SER 49 N 0.00 -0.44 -0.64 0.08 0.02 -1.99 -1.46 113.55 109.13 2jsc h SER 49 Ca 0.15 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2jsc h SER 49 Cb 1.28 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 2jsc h SER 49 CO -0.00 -0.01 0.33 -1.13 -1.14 0.00 0.00 176.83 174.88 2jsc h ASN 50 N -0.98 0.81 -0.46 3.07 -0.73 -1.60 -0.95 115.58 114.74 2jsc h ASN 50 Ca -0.05 -0.11 0.08 0.00 1.87 0.00 0.00 56.30 58.09 2jsc h ASN 50 Cb 0.53 -0.21 -0.07 0.00 0.27 0.00 0.00 38.32 38.85 2jsc h ASN 50 CO 0.09 0.69 0.05 0.58 -0.37 0.00 0.00 177.43 178.46 2jsc h VAL 51 N 0.87 0.69 -0.36 2.57 2.07 -1.05 -0.79 116.25 120.25 2jsc h VAL 51 Ca 0.22 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.60 2jsc h VAL 51 Cb 0.07 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2jsc h VAL 51 CO -0.03 0.03 -0.13 0.28 0.02 0.00 0.00 177.57 177.74 2jsc h SER 52 N 0.17 0.64 0.25 0.57 0.02 -0.80 -0.78 113.55 113.61 2jsc h SER 52 Ca 0.23 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2jsc h SER 52 Cb 0.32 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2jsc h SER 52 CO -0.34 0.79 -0.12 -1.13 -1.14 0.00 0.00 176.83 174.89 2jsc h ASN 53 N 0.59 -0.28 0.53 3.07 -1.24 -0.62 -0.51 115.58 117.11 2jsc h ASN 53 Ca 0.10 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 2jsc h ASN 53 Cb 0.57 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 2jsc h ASN 53 CO 0.04 -0.18 -0.31 0.45 -1.29 0.00 0.00 177.43 176.13 2jsc h HIS 54 N -0.35 0.00 0.00 0.67 3.86 -1.08 -0.99 115.15 117.26 2jsc h HIS 54 Ca -0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2jsc h HIS 54 Cb 0.27 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 2jsc h HIS 54 CO -0.05 0.31 -0.04 -0.07 0.86 0.00 0.00 177.93 178.93 2jsc h LEU 55 N 0.00 0.00 0.15 2.43 3.38 -0.86 -3.37 115.31 117.04 2jsc h LEU 55 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jsc h LEU 55 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jsc h LEU 55 CO 0.04 0.04 -0.07 -1.28 0.09 0.00 0.00 178.44 177.26 2jsc h SER 56 N 0.00 -0.18 -0.17 -0.43 0.87 0.33 -1.43 113.55 112.54 2jsc h SER 56 Ca -0.00 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2jsc h SER 56 Cb 0.56 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 2jsc h SER 56 CO 0.01 0.02 -0.12 0.00 -0.53 0.00 0.00 176.83 176.20 2jsc h LEU 58 N -0.13 0.49 -0.15 0.00 5.85 -1.67 0.56 115.31 120.27 2jsc h LEU 58 Ca 0.10 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 2jsc h LEU 58 Cb 0.28 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2jsc h LEU 58 CO -0.25 0.05 -0.39 0.03 -0.34 0.00 0.00 178.44 177.55 2jsc h ARG 59 N 0.49 0.00 0.00 1.25 3.08 -1.10 0.17 114.38 118.26 2jsc h ARG 59 Ca 0.59 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.52 2jsc h ARG 59 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 2jsc h ARG 59 CO -0.50 0.39 -0.92 0.41 -1.07 0.00 0.00 179.97 178.28 2jsc n GLY 60 N 1.06 -0.89 0.00 0.04 0.00 -0.49 -4.28 105.19 100.63 2jsc n GLY 60 Ca 0.02 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.32 0.65 0.24 0.00 0.00 -1.13 -4.85 105.19 99.78 2jsc n GLY 62 Ca 0.06 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -8.45 0.99 3.38 -1.35 -3.41 115.31 106.47 2jsc h LEU 63 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2jsc h LEU 63 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 2jsc h LEU 63 CO 0.00 0.15 -0.72 0.68 0.09 0.00 0.00 178.44 178.63 2jsc s VAL 64 N -3.70 0.90 0.08 1.22 -7.23 -0.29 -2.43 120.40 108.94 2jsc s VAL 64 Ca 0.00 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2jsc s VAL 64 Cb 0.10 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2jsc s VAL 64 CO 0.60 -0.61 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.99 2jsc s VAL 65 N -2.64 0.86 0.03 1.32 1.01 0.45 -4.23 120.40 117.20 2jsc s VAL 65 Ca 0.06 -1.47 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 2jsc s VAL 65 Cb -0.02 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2jsc s VAL 65 CO -0.01 -0.48 0.27 0.00 0.00 0.00 0.00 175.10 174.89 2jsc s ALA 66 N -2.06 3.86 0.00 5.51 0.00 -1.26 -0.85 121.76 126.95 2jsc s ALA 66 Ca 0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 2jsc s ALA 66 Cb -0.05 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 2jsc s ALA 66 CO 0.00 0.67 0.02 0.99 0.00 0.00 0.00 175.76 177.44 2jsc s THR 67 N -1.36 0.05 -0.33 0.00 2.01 -1.08 -4.98 115.64 109.94 2jsc s THR 67 Ca 0.30 -0.41 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 2jsc s THR 67 Cb -0.13 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.23 2jsc s THR 67 CO 0.18 -0.22 1.05 -0.31 -0.69 0.00 0.00 174.62 174.63 2jsc s TYR 68 N -0.67 3.12 0.57 4.92 1.51 -1.26 -0.50 117.35 125.05 2jsc s TYR 68 Ca -0.07 1.11 -0.04 0.00 -1.01 0.00 0.00 57.07 57.05 2jsc s TYR 68 Cb -0.05 -3.71 0.02 0.00 -0.11 0.00 0.00 41.96 38.11 2jsc s TYR 68 CO -0.00 -0.79 0.85 -1.21 -1.11 0.00 0.00 175.55 173.28 2jsc s GLU 69 N 3.65 2.80 0.00 -0.62 0.41 0.73 -4.96 118.70 120.71 2jsc s GLU 69 Ca 0.44 -0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 2jsc s GLU 69 Cb -0.12 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2jsc s GLU 69 CO 0.17 -0.68 0.25 0.41 -0.49 0.00 0.00 175.26 174.91 2jsc n GLY 70 N -2.49 0.11 0.00 -1.39 0.00 -1.26 -2.71 105.19 97.44 2jsc n GLY 70 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2jsc n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsc n ARG 71 N -0.06 0.00 -3.62 1.61 5.12 -1.26 -5.17 116.66 113.28 2jsc n ARG 71 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 2jsc n ARG 71 Cb 0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.33 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2jsc s GLN 72 N 0.00 0.87 0.28 5.56 2.00 -1.10 -5.18 119.66 122.09 2jsc s GLN 72 Ca 0.00 -0.41 -0.02 0.00 -2.00 0.00 0.00 55.36 52.93 2jsc s GLN 72 Cb 0.00 0.34 -0.04 0.00 0.80 0.00 0.00 33.01 34.11 2jsc s GLN 72 CO 0.00 -0.39 0.49 0.14 -0.50 0.00 0.00 175.29 175.03 2jsc s VAL 73 N -3.05 5.12 0.44 1.34 -7.23 -1.26 -0.19 120.40 115.57 2jsc s VAL 73 Ca 0.09 -0.28 0.03 0.00 -1.81 0.00 0.00 61.98 60.02 2jsc s VAL 73 Cb -0.01 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 2jsc s VAL 73 CO -0.04 -0.35 0.10 0.00 -0.31 0.00 0.00 175.10 174.50 2jsc s ARG 74 N -3.72 2.01 -0.09 4.82 1.70 0.35 -3.88 118.95 120.14 2jsc s ARG 74 Ca 0.41 -2.25 0.03 0.00 -0.47 0.00 0.00 55.73 53.44 2jsc s ARG 74 Cb -0.10 -0.86 0.01 0.00 -0.57 0.00 0.00 34.95 33.43 2jsc s ARG 74 CO 0.31 -0.45 -0.17 0.71 -1.08 0.00 0.00 175.30 174.62 2jsc s TYR 75 N -3.11 1.99 0.15 5.89 2.02 -1.26 -2.65 117.35 120.38 2jsc s TYR 75 Ca 0.18 -0.82 0.06 0.00 -0.37 0.00 0.00 57.07 56.12 2jsc s TYR 75 Cb 0.02 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2jsc s TYR 75 CO 0.11 -0.38 -0.13 0.00 -1.57 0.00 0.00 175.55 173.58 2jsc s ALA 76 N 0.63 1.64 0.67 3.71 0.00 -0.03 -4.25 121.76 124.12 2jsc s ALA 76 Ca -0.14 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.21 2jsc s ALA 76 Cb -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2jsc s ALA 76 CO 0.04 0.05 1.16 -0.51 0.00 0.00 0.00 175.76 176.50 2jsc s LEU 77 N -2.87 3.43 0.24 0.00 1.43 -1.26 -0.41 118.68 119.24 2jsc s LEU 77 Ca 0.15 2.19 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 2jsc s LEU 77 Cb -0.02 -4.57 0.27 0.00 0.03 0.00 0.00 46.19 41.89 2jsc s LEU 77 CO 0.03 -1.81 1.65 0.00 0.23 0.00 0.00 176.35 176.45 2jsc h ALA 78 N 0.13 0.94 -2.85 4.21 0.00 -1.71 -3.43 119.26 116.56 2jsc h ALA 78 Ca -0.48 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 2jsc h ALA 78 Cb 1.27 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2jsc h ALA 78 CO 0.53 0.61 0.15 0.34 0.00 0.00 0.00 179.25 180.88 2jsc s ASP 79 N -6.79 -0.51 0.29 0.00 2.15 -1.26 -5.00 116.67 105.54 2jsc s ASP 79 Ca -0.08 0.02 0.18 0.00 0.43 0.00 0.00 52.55 53.10 2jsc s ASP 79 Cb 0.13 0.57 1.05 0.00 -0.30 0.00 0.00 42.92 44.37 2jsc s ASP 79 CO 0.82 -0.90 1.20 -1.20 -0.17 0.00 0.00 175.17 174.92 2jsc n SER 80 N -0.19 0.25 -0.08 -0.34 7.64 -1.26 -1.26 113.62 118.36 2jsc n SER 80 Ca -0.17 1.22 -0.05 0.00 1.01 0.00 0.00 58.87 60.88 2jsc n SER 80 Cb 0.64 -0.60 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.68 0.00 1.43 3.86 -1.98 0.12 115.15 117.89 2jsc h HIS 81 Ca 0.65 0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.79 2jsc h HIS 81 Cb 1.80 0.33 -0.02 0.00 1.06 0.00 0.00 27.41 30.59 2jsc h HIS 81 CO -0.01 -0.18 -0.52 1.37 0.86 0.00 0.00 177.93 179.45 2jsc h LEU 82 N -0.11 0.00 -0.33 2.43 8.10 -1.60 -1.56 115.31 122.23 2jsc h LEU 82 Ca 0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 2jsc h LEU 82 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.42 2jsc h LEU 82 CO -0.27 0.52 0.12 0.00 -4.11 0.00 0.00 178.44 174.71 2jsc h ALA 83 N 1.48 0.43 0.35 0.17 0.00 -1.48 -2.71 119.26 117.51 2jsc h ALA 83 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jsc h ALA 83 Cb 1.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jsc h ALA 83 CO 0.07 0.05 -0.17 -0.09 0.00 0.00 0.00 179.25 179.11 2jsc h ARG 84 N 0.39 -0.45 -0.55 0.00 2.43 -0.60 -0.92 114.38 114.67 2jsc h ARG 84 Ca 0.11 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2jsc h ARG 84 Cb 0.21 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2jsc h ARG 84 CO -0.01 -0.21 0.27 0.00 -1.51 0.00 0.00 179.97 178.51 2jsc h ALA 85 N -0.01 1.46 -0.19 2.80 0.00 -1.33 0.83 119.26 122.82 2jsc h ALA 85 Ca -0.05 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2jsc h ALA 85 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jsc h ALA 85 CO 0.08 0.44 -0.52 1.25 0.00 0.00 0.00 179.25 180.50 2jsc h LEU 86 N 0.76 0.78 -0.50 0.00 6.46 -1.50 -3.17 115.31 118.14 2jsc h LEU 86 Ca 0.19 -0.58 -0.03 0.00 -0.12 0.00 0.00 57.88 57.34 2jsc h LEU 86 Cb 0.06 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 2jsc h LEU 86 CO -0.03 1.22 0.21 1.23 -0.62 0.00 0.00 178.44 180.45 2jsc h GLY 87 N 0.37 0.80 1.20 3.75 0.00 -0.17 -1.92 103.07 107.11 2jsc h GLY 87 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2jsc h GLY 87 CO 0.11 0.40 0.00 -1.84 0.00 0.00 0.00 176.54 175.21 2jsc n GLU 88 N -4.57 0.64 -0.61 4.80 0.28 0.19 -4.99 120.64 116.39 2jsc n GLU 88 Ca 0.02 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2jsc n GLU 88 Cb 0.15 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.52 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 -1.10 -2.87 -0.58 -1.84 7.94 -0.72 -4.80 117.00 113.02 2jsc n LEU 89 Ca 0.17 0.67 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 2jsc n LEU 89 Cb 0.13 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.40 2jsc n LEU 89 CO 0.16 -0.25 0.23 0.52 -1.11 0.00 0.00 177.39 176.94 2jsc n VAL 90 N 0.06 0.13 0.00 1.96 0.31 -1.25 -4.75 118.33 114.80 2jsc n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 90 Cb 0.00 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 2jsc n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jsc n GLN 91 N 0.19 0.00 -0.35 5.55 -0.06 -1.26 -4.77 117.38 116.68 2jsc n GLN 91 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 2jsc n GLN 91 Cb 0.23 -1.03 -0.05 0.00 -4.06 0.00 0.00 30.24 25.33 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 1.12 0.00 1.69 3.14 -1.26 -4.61 118.33 116.41 2jsc n VAL 92 Ca 0.00 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2jsc n VAL 92 Cb 0.00 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 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 2.47 0.00 0.00 1.55 0.31 -1.26 -4.25 118.33 117.15 2jsc n VAL 93 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2jsc n VAL 93 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 -4.55 7.52 0.00 -1.26 -5.03 117.00 113.68 2jsc n LEU 94 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 2jsc n LEU 94 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 2jsc n LEU 94 CO 0.00 0.00 1.11 0.00 0.00 0.00 0.00 177.39 178.50 2jsc n ALA 95 N 0.00 0.24 -0.89 1.96 0.00 -1.26 -4.92 120.51 115.64 2jsc n ALA 95 Ca 0.00 -1.96 -0.35 0.00 0.00 0.00 0.00 53.44 51.13 2jsc n ALA 95 Cb 0.00 -3.22 0.08 0.00 0.00 0.00 0.00 19.45 16.32 2jsc n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jsc n VAL 96 N 8.84 0.00 -2.59 0.00 0.24 -1.26 -4.94 118.33 118.62 2jsc n VAL 96 Ca 0.41 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.99 2jsc n VAL 96 Cb 0.46 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 2jsc n VAL 96 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jsc n ASP 97 N 1.40 5.24 0.00 -1.34 8.00 -1.26 -4.86 116.55 123.74 2jsc n ASP 97 Ca 0.01 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.41 2jsc n ASP 97 Cb 0.60 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 2jsc n ASP 97 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2jsc n THR 98 N 3.50 0.00 0.12 -3.53 -2.24 -1.26 -5.07 114.28 105.80 2jsc n THR 98 Ca 0.37 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.10 2jsc n THR 98 Cb 0.38 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.00 3.20 -2.99 3.42 5.75 -1.26 -5.02 116.55 119.66 2jsc n ASP 99 Ca 0.00 -2.58 -0.36 0.00 -0.01 0.00 0.00 54.79 51.84 2jsc n ASP 99 Cb 0.00 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.43 2jsc n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jsc n GLN 100 N -0.03 0.00 -1.75 0.11 3.00 -1.26 -4.79 117.38 112.66 2jsc n GLN 100 Ca 0.20 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.82 2jsc n GLN 100 Cb 0.87 -0.85 0.06 0.00 0.00 0.00 0.00 30.24 30.33 2jsc n GLN 100 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2jsc s PRO 101 N -0.32 2.68 -0.03 -1.09 0.04 -1.26 -4.98 135.00 130.04 2jsc s PRO 101 Ca 0.52 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 2jsc s PRO 101 Cb -0.74 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.80 2jsc s PRO 101 CO 0.38 -1.51 1.62 0.00 0.04 0.00 0.00 177.00 177.53 2jsc n VAL 103 N 5.23 1.07 1.13 0.00 3.14 -1.26 -4.53 118.33 123.11 2jsc n VAL 103 Ca 0.16 -0.43 0.13 0.00 -2.96 0.00 0.00 64.34 61.24 2jsc n VAL 103 Cb 0.42 -1.10 0.40 0.00 -1.06 0.00 0.00 33.84 32.50 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 -2.99 3.11 -3.72 1.55 0.00 -1.26 -4.69 120.51 112.51 2jsc n ALA 104 Ca -0.32 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 52.54 2jsc n ALA 104 Cb 0.87 -1.22 -0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.79 1.90 0.00 0.00 2.02 -1.26 -5.36 118.70 113.21 2jsc s GLU 105 Ca 0.18 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2jsc s GLU 105 Cb 0.19 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.71 2jsc s GLU 105 CO 0.59 -0.12 0.43 -2.13 0.02 0.00 0.00 175.26 174.06