#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc n LEU 11 N 0.00 0.15 -0.22 0.00 7.99 -1.26 -1.28 117.00 122.38 2jsc n LEU 11 Ca 0.00 0.57 0.03 0.00 -0.01 0.00 0.00 56.01 56.59 2jsc n LEU 11 Cb 0.00 -0.58 0.14 0.00 -0.11 0.00 0.00 43.42 42.87 2jsc n LEU 11 CO 0.00 -0.61 0.95 0.00 -1.51 0.00 0.00 177.39 176.23 2jsc h ALA 12 N 2.02 0.85 -0.16 -1.18 0.00 -2.05 0.20 119.26 118.94 2jsc h ALA 12 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jsc h ALA 12 Cb 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jsc h ALA 12 CO 0.00 -0.27 0.11 -0.09 0.00 0.00 0.00 179.25 179.00 2jsc h ARG 13 N 0.32 0.03 0.08 0.00 1.12 -1.63 -0.85 114.38 113.45 2jsc h ARG 13 Ca 0.36 -0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 59.09 2jsc h ARG 13 Cb 0.54 -0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.50 2jsc h ARG 13 CO -0.41 0.02 -0.63 1.25 -3.11 0.00 0.00 179.97 177.09 2jsc h LEU 14 N 0.03 0.26 -1.77 3.80 7.12 -1.26 -3.32 115.31 120.17 2jsc h LEU 14 Ca 0.07 -0.93 0.04 0.00 0.13 0.00 0.00 57.88 57.19 2jsc h LEU 14 Cb 0.25 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 2jsc h LEU 14 CO -0.00 1.29 0.23 1.23 -0.13 0.00 0.00 178.44 181.06 2jsc h GLY 15 N -0.58 0.34 1.80 3.75 0.00 -0.09 1.00 103.07 109.28 2jsc h GLY 15 Ca -0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 2jsc h GLY 15 CO 0.06 0.10 -0.39 -0.09 0.00 0.00 0.00 176.54 176.22 2jsc h ARG 16 N 0.29 0.23 0.00 4.80 1.12 -1.33 0.13 114.38 119.63 2jsc h ARG 16 Ca 0.14 -0.10 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 2jsc h ARG 16 Cb 0.21 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2jsc h ARG 16 CO -0.03 0.59 -0.12 0.00 -3.11 0.00 0.00 179.97 177.30 2jsc h ALA 17 N 1.40 0.93 0.00 2.80 0.00 -0.93 -3.34 119.26 120.13 2jsc h ALA 17 Ca 0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2jsc h ALA 17 Cb 0.78 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jsc h ALA 17 CO 0.06 0.07 -2.02 1.28 0.00 0.00 0.00 179.25 178.65 2jsc n LEU 18 N -3.09 0.00 -1.56 0.00 4.32 -0.69 -4.59 117.00 111.40 2jsc n LEU 18 Ca 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.97 2jsc n LEU 18 Cb 0.56 0.14 0.02 0.00 -1.62 0.00 0.00 43.42 42.51 2jsc n LEU 18 CO 0.35 0.14 0.99 0.00 -1.22 0.00 0.00 177.39 177.64 2jsc n ALA 19 N -2.34 4.12 -2.83 -1.18 0.00 0.45 -3.97 120.51 114.76 2jsc n ALA 19 Ca -0.12 -0.61 -0.36 0.00 0.00 0.00 0.00 53.44 52.36 2jsc n ALA 19 Cb 0.70 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 2jsc n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jsc s ASP 20 N 1.14 6.44 0.00 0.00 1.11 -1.26 -4.97 116.67 119.13 2jsc s ASP 20 Ca 0.12 0.50 0.00 0.00 0.18 0.00 0.00 52.55 53.34 2jsc s ASP 20 Cb 0.09 -2.07 0.00 0.00 1.07 0.00 0.00 42.92 42.01 2jsc s ASP 20 CO 0.00 0.34 0.23 -0.81 1.18 0.00 0.00 175.17 176.11 2jsc n PRO 21 N 1.54 0.00 -0.29 8.23 -0.04 -1.26 -1.20 135.00 141.99 2jsc n PRO 21 Ca -0.16 0.01 0.26 0.00 -0.04 0.00 0.00 63.50 63.57 2jsc n PRO 21 Cb 0.54 -0.73 0.59 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.53 -0.22 0.52 2.02 -1.98 -3.13 112.91 110.65 2jsc h THR 22 Ca 0.00 -0.09 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 2jsc h THR 22 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2jsc h THR 22 CO 0.00 0.05 -0.63 -0.09 0.37 0.00 0.00 175.52 175.22 2jsc h ARG 23 N 0.26 0.76 -1.00 6.66 2.43 -1.91 -0.56 114.38 121.02 2jsc h ARG 23 Ca 0.54 -0.53 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2jsc h ARG 23 Cb 1.64 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 31.20 2jsc h ARG 23 CO -0.18 1.15 0.65 0.00 -1.51 0.00 0.00 179.97 180.09 2jsc h ARG 25 N 1.15 1.03 -0.42 0.00 3.08 -1.45 -0.60 114.38 117.16 2jsc h ARG 25 Ca 0.44 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 60.33 2jsc h ARG 25 Cb 0.21 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 2jsc h ARG 25 CO -0.18 0.93 -0.07 0.82 -1.07 0.00 0.00 179.97 180.39 2jsc h ILE 26 N 0.97 0.61 -0.19 2.04 2.04 -0.45 0.25 117.51 122.78 2jsc h ILE 26 Ca 0.20 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 2jsc h ILE 26 Cb 0.38 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2jsc h ILE 26 CO 0.01 0.01 0.03 -0.07 0.00 0.00 0.00 178.15 178.12 2jsc h LEU 27 N 0.03 0.31 -1.00 1.44 3.38 -1.06 -0.70 115.31 117.72 2jsc h LEU 27 Ca 0.20 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2jsc h LEU 27 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2jsc h LEU 27 CO -0.41 0.50 -0.27 1.62 0.09 0.00 0.00 178.44 179.98 2jsc h VAL 28 N 0.11 1.26 0.00 1.22 3.04 -0.96 -2.20 116.25 118.71 2jsc h VAL 28 Ca 0.06 -1.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 2jsc h VAL 28 Cb 0.33 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2jsc h VAL 28 CO 0.00 0.39 0.00 0.00 -1.01 0.00 0.00 177.57 176.96 2jsc n ALA 29 N -2.48 2.23 0.09 3.17 0.00 0.06 -2.77 120.51 120.82 2jsc n ALA 29 Ca -0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 2jsc n ALA 29 Cb 0.40 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.27 2jsc n ALA 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jsc h LEU 30 N 0.00 0.59 -0.51 0.00 3.38 -0.53 -2.85 115.31 115.38 2jsc h LEU 30 Ca 0.00 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.29 2jsc h LEU 30 Cb 0.42 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2jsc h LEU 30 CO 0.00 1.61 0.21 -0.07 0.09 0.00 0.00 178.44 180.28 2jsc h LEU 31 N 0.10 0.25 -4.50 1.67 3.38 -1.25 -2.72 115.31 112.24 2jsc h LEU 31 Ca -0.26 0.05 -0.68 0.00 0.09 0.00 0.00 57.88 57.08 2jsc h LEU 31 Cb 2.08 0.02 -0.33 0.00 0.09 0.00 0.00 40.66 42.51 2jsc h LEU 31 CO 0.20 0.17 0.38 -0.67 0.09 0.00 0.00 178.44 178.62 2jsc n ASP 32 N -4.96 6.62 0.00 -0.43 2.03 -1.15 -4.82 116.55 113.84 2jsc n ASP 32 Ca 0.05 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.57 2jsc n ASP 32 Cb 0.18 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsc n GLY 33 N -0.64 -0.75 3.96 0.27 0.00 -1.04 -4.86 105.19 102.13 2jsc n GLY 33 Ca 0.51 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.57 0.00 0.00 1.61 0.24 -1.11 -4.88 118.33 113.62 2jsc n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 34 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -0.78 -0.30 -1.28 0.00 2.02 -1.26 -4.14 117.35 111.61 2jsc s TYR 36 Ca 0.00 0.67 0.08 0.00 -0.37 0.00 0.00 57.07 57.46 2jsc s TYR 36 Cb 0.00 0.12 0.41 0.00 -0.40 0.00 0.00 41.96 42.09 2jsc s TYR 36 CO 0.00 -0.26 1.19 -0.35 -1.57 0.00 0.00 175.55 174.55 2jsc n PRO 37 N 2.26 0.08 -0.00 -1.71 -0.04 -1.26 -1.54 135.00 132.79 2jsc n PRO 37 Ca -0.16 0.26 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 2jsc n PRO 37 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.58 -0.54 0.28 0.55 0.00 -1.26 -4.76 105.19 98.88 2jsc n GLY 38 Ca 0.03 -0.40 0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 -1.42 1.61 -0.00 -1.71 -3.15 115.11 110.44 2jsc h GLN 39 Ca 0.00 0.00 0.42 0.00 -0.00 0.00 0.00 58.65 59.07 2jsc h GLN 39 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 27.90 2jsc h GLN 39 CO 0.00 0.00 0.99 -0.07 -0.00 0.00 0.00 178.83 179.75 2jsc h LEU 40 N 0.00 0.12 -0.97 0.06 3.38 -1.86 -1.46 115.31 114.58 2jsc h LEU 40 Ca 0.00 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2jsc h LEU 40 Cb 0.49 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 2jsc h LEU 40 CO 0.00 -0.03 0.62 0.00 0.09 0.00 0.00 178.44 179.12 2jsc h ALA 41 N 1.37 1.35 0.03 1.53 0.00 -1.71 0.87 119.26 122.71 2jsc h ALA 41 Ca 0.74 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.44 2jsc h ALA 41 Cb 2.67 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 20.19 2jsc h ALA 41 CO -0.15 0.40 -0.75 0.00 0.00 0.00 0.00 179.25 178.75 2jsc h ALA 42 N 1.45 0.04 0.00 0.00 0.00 -1.49 -1.53 119.26 117.73 2jsc h ALA 42 Ca 0.42 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2jsc h ALA 42 Cb 0.18 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jsc h ALA 42 CO -0.18 0.43 -0.10 1.25 0.00 0.00 0.00 179.25 180.65 2jsc h HIS 43 N -0.05 0.00 0.00 0.00 6.17 -1.37 -2.99 115.15 116.91 2jsc h HIS 43 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.98 2jsc h HIS 43 Cb 1.47 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.40 2jsc h HIS 43 CO 0.15 0.10 -1.34 1.28 0.71 0.00 0.00 177.93 178.82 2jsc n LEU 44 N -3.56 0.10 0.00 0.26 4.77 0.26 -5.02 117.00 113.81 2jsc n LEU 44 Ca -0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2jsc n LEU 44 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2jsc n LEU 44 CO 0.29 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2jsc n GLY 45 N 1.73 2.70 3.72 -0.72 0.00 -0.61 -5.04 105.19 106.99 2jsc n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.39 0.39 0.99 2.01 -1.02 -4.93 118.68 120.51 2jsc s LEU 46 Ca 0.00 2.32 -0.28 0.00 0.01 0.00 0.00 54.13 56.18 2jsc s LEU 46 Cb 0.00 -3.60 -0.11 0.00 0.01 0.00 0.00 46.19 42.50 2jsc s LEU 46 CO 0.00 -0.57 1.48 1.07 1.01 0.00 0.00 176.35 179.34 2jsc n THR 47 N 3.37 2.15 0.33 5.49 5.66 -1.26 -4.18 114.28 125.83 2jsc n THR 47 Ca 0.09 -0.50 0.21 0.00 -3.05 0.00 0.00 64.05 60.80 2jsc n THR 47 Cb 0.43 -1.96 1.15 0.00 -1.55 0.00 0.00 70.33 68.40 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 2.83 0.00 -0.11 1.09 -0.00 -1.90 0.72 114.38 117.02 2jsc h ARG 48 Ca -0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.46 2jsc h ARG 48 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2jsc h ARG 48 CO 0.63 0.00 0.03 0.77 -0.00 0.00 0.00 179.97 181.40 2jsc h SER 49 N 0.00 0.16 -0.25 0.08 0.02 -1.99 0.12 113.55 111.69 2jsc h SER 49 Ca 0.00 -0.22 -0.17 0.00 -0.84 0.00 0.00 61.79 60.56 2jsc h SER 49 Cb 0.05 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jsc h SER 49 CO -0.00 0.34 -0.47 -1.13 -1.14 0.00 0.00 176.83 174.43 2jsc h ASN 50 N -0.03 0.89 -0.47 3.07 -1.24 -1.35 -2.65 115.58 113.80 2jsc h ASN 50 Ca 0.03 -0.44 -0.03 0.00 0.71 0.00 0.00 56.30 56.58 2jsc h ASN 50 Cb 0.24 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 2jsc h ASN 50 CO -0.00 1.21 0.21 1.62 -1.29 0.00 0.00 177.43 179.19 2jsc h VAL 51 N 0.65 1.19 -0.01 2.57 3.04 -0.96 -2.68 116.25 120.04 2jsc h VAL 51 Ca 0.04 -0.57 -0.08 0.00 -1.01 0.00 0.00 66.70 65.07 2jsc h VAL 51 Cb 1.05 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2jsc h VAL 51 CO 0.10 0.23 -0.39 0.77 -1.01 0.00 0.00 177.57 177.27 2jsc h SER 52 N 0.73 0.02 0.99 3.17 4.64 -0.55 -2.72 113.55 119.83 2jsc h SER 52 Ca 0.18 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2jsc h SER 52 Cb 0.13 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2jsc h SER 52 CO -0.02 0.41 -0.48 -1.13 -0.87 0.00 0.00 176.83 174.75 2jsc h ASN 53 N 0.02 -1.13 0.77 4.97 -1.24 -1.12 -1.40 115.58 116.45 2jsc h ASN 53 Ca -0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2jsc h ASN 53 Cb 0.70 0.29 0.00 0.00 0.73 0.00 0.00 38.32 40.04 2jsc h ASN 53 CO 0.05 -0.80 0.00 0.45 -1.29 0.00 0.00 177.43 175.84 2jsc h HIS 54 N -1.35 0.00 0.00 0.67 3.86 -1.62 -1.92 115.15 114.79 2jsc h HIS 54 Ca -0.14 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.94 2jsc h HIS 54 Cb 1.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 2jsc h HIS 54 CO -0.00 0.00 -0.64 -0.07 0.86 0.00 0.00 177.93 178.08 2jsc h LEU 55 N 0.00 0.00 -1.89 2.43 3.38 -1.27 -2.61 115.31 115.36 2jsc h LEU 55 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jsc h LEU 55 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jsc h LEU 55 CO 0.00 0.64 -0.09 0.28 0.09 0.00 0.00 178.44 179.36 2jsc h SER 56 N 0.00 0.00 0.00 -0.43 0.02 -0.42 -0.51 113.55 112.22 2jsc h SER 56 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jsc h SER 56 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2jsc h SER 56 CO 0.08 0.09 -0.05 0.00 -1.14 0.00 0.00 176.83 175.81 2jsc h LEU 58 N -1.00 0.96 -0.08 0.00 5.85 -1.15 0.45 115.31 120.34 2jsc h LEU 58 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jsc h LEU 58 Cb 0.94 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jsc h LEU 58 CO -0.01 0.64 -0.08 0.54 -0.34 0.00 0.00 178.44 179.20 2jsc n ARG 59 N -4.53 0.41 -0.11 1.25 1.74 -0.23 -1.92 116.66 113.27 2jsc n ARG 59 Ca 0.12 -0.08 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 2jsc n ARG 59 Cb 0.12 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.34 -0.46 0.00 -0.13 0.00 -0.49 -4.44 105.19 101.01 2jsc n GLY 60 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.42 0.18 0.00 0.00 -1.18 -4.91 105.19 100.03 2jsc n GLY 62 Ca 0.02 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -8.08 0.99 3.38 -1.73 -3.42 115.31 106.45 2jsc h LEU 63 Ca -0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 2jsc h LEU 63 Cb 0.30 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.84 2jsc h LEU 63 CO 0.02 0.19 -0.72 0.68 0.09 0.00 0.00 178.44 178.70 2jsc s VAL 64 N -3.12 0.36 -0.02 1.22 -7.23 -1.20 -0.99 120.40 109.42 2jsc s VAL 64 Ca 0.05 -0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 59.18 2jsc s VAL 64 Cb 0.06 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.56 2jsc s VAL 64 CO 0.71 -0.41 0.16 -0.69 -0.31 0.00 0.00 175.10 174.56 2jsc s VAL 65 N -1.35 0.06 0.05 1.32 1.01 0.02 -4.52 120.40 116.99 2jsc s VAL 65 Ca -0.12 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2jsc s VAL 65 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2jsc s VAL 65 CO -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 175.10 174.87 2jsc s ALA 66 N -0.97 3.43 0.24 5.51 0.00 -1.26 -0.15 121.76 128.56 2jsc s ALA 66 Ca -0.11 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.86 2jsc s ALA 66 Cb -0.06 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 2jsc s ALA 66 CO 0.01 0.70 0.12 0.95 0.00 0.00 0.00 175.76 177.55 2jsc s THR 67 N -1.26 0.31 0.05 0.00 -4.23 -1.08 -4.97 115.64 104.46 2jsc s THR 67 Ca 0.25 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.47 2jsc s THR 67 Cb -0.12 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 2jsc s THR 67 CO 0.17 0.00 0.91 -0.31 -0.54 0.00 0.00 174.62 174.85 2jsc s TYR 68 N -3.89 3.74 -1.11 3.99 2.02 -1.26 -0.16 117.35 120.68 2jsc s TYR 68 Ca 0.38 1.67 0.27 0.00 -0.37 0.00 0.00 57.07 59.02 2jsc s TYR 68 Cb 0.07 -3.01 0.96 0.00 -0.40 0.00 0.00 41.96 39.59 2jsc s TYR 68 CO 0.14 0.15 1.73 -0.85 -1.57 0.00 0.00 175.55 175.14 2jsc n GLU 69 N 3.17 0.12 0.00 -0.62 -0.00 0.10 -4.79 120.64 118.62 2jsc n GLU 69 Ca 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 2jsc n GLU 69 Cb 0.50 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.44 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 1.46 1.55 0.11 -1.84 0.00 -1.26 -4.91 105.19 100.30 2jsc n GLY 70 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -4.56 1.61 0.00 -1.26 -5.10 116.66 107.34 2jsc n ARG 71 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 2jsc n ARG 71 Cb 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 32.46 31.87 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2jsc s GLN 72 N -1.13 1.97 0.19 -0.14 1.11 -1.26 -5.15 119.66 115.25 2jsc s GLN 72 Ca 0.00 -2.21 -0.20 0.00 0.01 0.00 0.00 55.36 52.97 2jsc s GLN 72 Cb 0.00 -0.83 -0.08 0.00 -1.01 0.00 0.00 33.01 31.09 2jsc s GLN 72 CO 0.00 -0.43 0.69 0.14 0.01 0.00 0.00 175.29 175.70 2jsc s VAL 73 N -3.14 4.60 0.37 1.09 -7.23 -1.26 -0.72 120.40 114.11 2jsc s VAL 73 Ca 0.21 1.27 0.04 0.00 -1.81 0.00 0.00 61.98 61.69 2jsc s VAL 73 Cb 0.03 -3.88 0.04 0.00 0.56 0.00 0.00 36.38 33.13 2jsc s VAL 73 CO 0.12 0.29 0.37 -2.11 -0.31 0.00 0.00 175.10 173.46 2jsc n ARG 74 N 0.94 0.87 -4.15 4.82 1.85 0.77 -4.03 116.66 117.74 2jsc n ARG 74 Ca -0.04 -2.21 -0.12 0.00 -1.00 0.00 0.00 57.85 54.48 2jsc n ARG 74 Cb 0.51 0.09 -0.08 0.00 -1.05 0.00 0.00 32.46 31.93 2jsc n ARG 74 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2jsc s TYR 75 N -1.65 1.00 -0.17 2.89 1.13 -0.36 -2.64 117.35 117.54 2jsc s TYR 75 Ca 0.28 -1.23 -0.34 0.00 -1.41 0.00 0.00 57.07 54.37 2jsc s TYR 75 Cb -0.02 -0.34 0.14 0.00 -1.10 0.00 0.00 41.96 40.64 2jsc s TYR 75 CO 0.18 -0.80 1.17 0.00 -2.51 0.00 0.00 175.55 173.60 2jsc s ALA 76 N -3.97 -2.04 0.44 9.51 0.00 0.78 -4.25 121.76 122.23 2jsc s ALA 76 Ca 0.34 1.55 -0.26 0.00 0.00 0.00 0.00 51.96 53.59 2jsc s ALA 76 Cb 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 2jsc s ALA 76 CO 0.13 -0.58 1.44 -0.51 0.00 0.00 0.00 175.76 176.24 2jsc s LEU 77 N -2.14 4.15 0.60 0.00 2.01 -1.26 -0.80 118.68 121.25 2jsc s LEU 77 Ca 0.09 2.95 0.34 0.00 0.01 0.00 0.00 54.13 57.52 2jsc s LEU 77 Cb -0.01 -3.88 1.93 0.00 0.01 0.00 0.00 46.19 44.24 2jsc s LEU 77 CO -0.05 -1.12 2.25 0.00 1.01 0.00 0.00 176.35 178.44 2jsc h ALA 78 N 2.46 1.29 -2.86 4.21 0.00 -1.32 -3.43 119.26 119.61 2jsc h ALA 78 Ca -0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2jsc h ALA 78 Cb 1.26 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 2jsc h ALA 78 CO 0.62 0.03 0.10 0.34 0.00 0.00 0.00 179.25 180.34 2jsc s ASP 79 N -5.82 -0.45 0.45 0.00 2.15 -1.26 -4.97 116.67 106.78 2jsc s ASP 79 Ca -0.04 -0.08 0.30 0.00 0.43 0.00 0.00 52.55 53.16 2jsc s ASP 79 Cb 0.14 0.55 1.39 0.00 -0.30 0.00 0.00 42.92 44.69 2jsc s ASP 79 CO 0.51 -0.90 1.67 0.77 -0.17 0.00 0.00 175.17 177.05 2jsc h SER 80 N 2.21 0.25 -0.41 -0.34 4.64 -1.97 -1.74 113.55 116.17 2jsc h SER 80 Ca -0.34 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2jsc h SER 80 Cb 1.28 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 2jsc h SER 80 CO 0.41 -0.08 0.25 -0.74 -0.87 0.00 0.00 176.83 175.80 2jsc h HIS 81 N 0.14 0.55 -0.19 4.77 2.76 -1.98 0.14 115.15 121.35 2jsc h HIS 81 Ca 0.75 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.85 2jsc h HIS 81 Cb 2.38 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 31.16 2jsc h HIS 81 CO -0.00 0.39 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.81 2jsc h LEU 82 N 0.55 0.45 -2.74 0.26 3.38 -1.74 -3.07 115.31 112.40 2jsc h LEU 82 Ca 0.15 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jsc h LEU 82 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jsc h LEU 82 CO -0.03 0.80 0.07 0.00 0.09 0.00 0.00 178.44 179.37 2jsc h ALA 83 N 0.67 1.15 0.09 1.53 0.00 -1.13 -1.25 119.26 120.31 2jsc h ALA 83 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jsc h ALA 83 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jsc h ALA 83 CO 0.04 -0.08 -0.04 -0.09 0.00 0.00 0.00 179.25 179.08 2jsc h ARG 84 N 0.00 -0.11 -0.58 0.00 9.65 -0.62 -1.56 114.38 121.16 2jsc h ARG 84 Ca 0.00 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2jsc h ARG 84 Cb 0.15 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 2jsc h ARG 84 CO -0.00 -0.07 0.30 0.00 2.80 0.00 0.00 179.97 183.00 2jsc h ALA 85 N -1.68 1.45 -0.72 2.80 0.00 -1.55 0.15 119.26 119.71 2jsc h ALA 85 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jsc h ALA 85 Cb 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2jsc h ALA 85 CO 0.02 0.45 0.36 1.25 0.00 0.00 0.00 179.25 181.33 2jsc h LEU 86 N 0.81 0.91 0.14 0.00 5.85 -1.39 -3.04 115.31 118.59 2jsc h LEU 86 Ca 0.21 -0.09 -0.24 0.00 0.84 0.00 0.00 57.88 58.60 2jsc h LEU 86 Cb 0.04 -0.23 0.03 0.00 0.37 0.00 0.00 40.66 40.86 2jsc h LEU 86 CO -0.03 0.76 -1.01 1.23 -0.34 0.00 0.00 178.44 179.05 2jsc h GLY 87 N 1.07 0.49 2.00 3.75 0.00 0.29 -2.99 103.07 107.68 2jsc h GLY 87 Ca 0.25 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2jsc h GLY 87 CO -0.03 1.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.66 2jsc n GLU 88 N -3.99 0.09 -0.67 4.80 0.00 -0.19 -5.02 120.64 115.66 2jsc n GLU 88 Ca -0.14 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.29 2jsc n GLU 88 Cb 0.89 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 30.68 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2jsc n LEU 89 N -1.82 -1.33 -0.15 -1.84 0.00 -1.13 -4.61 117.00 106.12 2jsc n LEU 89 Ca 0.04 1.27 0.00 0.00 0.00 0.00 0.00 56.01 57.32 2jsc n LEU 89 Cb 0.24 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 42.96 2jsc n LEU 89 CO 0.19 0.07 0.01 1.33 0.00 0.00 0.00 177.39 178.98 2jsc n VAL 90 N -1.19 0.00 0.00 1.96 0.24 -1.26 -4.78 118.33 113.30 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 0.05 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 2jsc n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc n GLN 91 N -0.20 0.00 -0.04 7.34 1.13 -1.26 -4.81 117.38 119.54 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 0.00 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.09 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 -1.93 0.42 -1.05 5.09 3.14 -1.26 -4.66 118.33 118.07 2jsc n VAL 92 Ca 0.00 -0.04 -0.02 0.00 -2.96 0.00 0.00 64.34 61.32 2jsc n VAL 92 Cb 0.00 -0.78 -0.01 0.00 -1.06 0.00 0.00 33.84 31.99 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 1.05 0.00 -0.50 1.55 0.31 -1.26 -4.02 118.33 115.46 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 0.17 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 2jsc n VAL 93 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jsc n LEU 94 N -0.21 -1.40 -4.78 7.52 4.32 -1.26 -5.06 117.00 116.14 2jsc n LEU 94 Ca -0.02 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.60 2jsc n LEU 94 Cb 0.47 -0.70 -0.02 0.00 -1.62 0.00 0.00 43.42 41.55 2jsc n LEU 94 CO 0.03 0.00 0.79 0.00 -1.22 0.00 0.00 177.39 176.99 2jsc s ALA 95 N 0.00 3.03 0.27 -1.18 0.00 -1.26 -5.06 121.76 117.55 2jsc s ALA 95 Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.86 2jsc s ALA 95 Cb 0.00 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 2jsc s ALA 95 CO 0.00 -0.47 -0.06 0.14 0.00 0.00 0.00 175.76 175.38 2jsc s VAL 96 N -1.59 1.56 0.44 0.00 -7.23 -1.26 -5.06 120.40 107.25 2jsc s VAL 96 Ca 0.61 -2.12 0.16 0.00 -1.81 0.00 0.00 61.98 58.82 2jsc s VAL 96 Cb -0.26 -2.40 0.19 0.00 0.56 0.00 0.00 36.38 34.47 2jsc s VAL 96 CO 0.32 -0.33 1.99 -0.78 -0.31 0.00 0.00 175.10 175.99 2jsc h ASP 97 N 2.33 0.00 -4.31 4.85 3.58 -2.01 -3.48 116.42 117.38 2jsc h ASP 97 Ca -0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2jsc h ASP 97 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2jsc h ASP 97 CO 0.66 0.19 0.00 0.41 -2.88 0.00 0.00 179.24 177.62 2jsc n THR 98 N -4.23 0.00 0.79 2.25 -1.04 -1.26 -4.90 114.28 105.89 2jsc n THR 98 Ca -0.02 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.10 2jsc n THR 98 Cb 0.26 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.90 2jsc n THR 98 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2jsc n ASP 99 N -1.17 0.62 -4.06 8.00 5.75 -1.26 -4.81 116.55 119.61 2jsc n ASP 99 Ca 0.00 -0.23 -0.30 0.00 -0.01 0.00 0.00 54.79 54.24 2jsc n ASP 99 Cb 0.00 0.46 -0.16 0.00 -1.03 0.00 0.00 41.12 40.39 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 -3.09 2.46 0.44 0.11 1.11 -1.26 -5.14 119.66 114.29 2jsc s GLN 100 Ca 0.08 -0.63 -0.19 0.00 0.01 0.00 0.00 55.36 54.63 2jsc s GLN 100 Cb 0.16 -2.14 -0.10 0.00 -1.01 0.00 0.00 33.01 29.92 2jsc s GLN 100 CO 0.75 -0.15 0.93 -1.25 0.01 0.00 0.00 175.29 175.58 2jsc s PRO 101 N 1.21 4.10 0.33 2.91 0.04 -1.26 -5.09 135.00 137.25 2jsc s PRO 101 Ca -0.00 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 2jsc s PRO 101 Cb -0.14 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 2jsc s PRO 101 CO -0.07 -0.09 0.44 0.00 0.04 0.00 0.00 177.00 177.33 2jsc h VAL 103 N 2.14 0.06 0.00 0.00 2.07 -2.05 -2.83 116.25 115.64 2jsc h VAL 103 Ca -0.28 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2jsc h VAL 103 Cb 1.24 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2jsc h VAL 103 CO 0.39 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.01 2jsc n ALA 104 N -2.11 1.98 -2.24 1.67 0.00 -1.26 -4.88 120.51 113.68 2jsc n ALA 104 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jsc n ALA 104 Cb 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2jsc n ALA 104 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jsc n GLU 105 N -0.72 0.00 0.00 0.00 0.28 -1.07 -5.23 120.64 113.91 2jsc n GLU 105 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 2jsc n GLU 105 Cb 0.02 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.89 2jsc n GLU 105 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51