#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 0.79 -2.14 0.00 8.10 -2.06 -1.17 115.31 118.83 2jsc h LEU 11 Ca 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 57.88 57.94 2jsc h LEU 11 Cb 0.00 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 40.02 2jsc h LEU 11 CO 0.00 0.60 -0.02 0.00 -4.11 0.00 0.00 178.44 174.91 2jsc h ALA 12 N 1.22 1.04 0.11 0.17 0.00 -2.06 -2.17 119.26 117.58 2jsc h ALA 12 Ca 0.24 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.83 2jsc h ALA 12 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jsc h ALA 12 CO -0.05 0.03 -1.61 0.00 0.00 0.00 0.00 179.25 177.62 2jsc h ARG 13 N 0.00 0.23 -0.69 0.00 2.47 -1.87 -3.39 114.38 111.13 2jsc h ARG 13 Ca -0.00 -0.40 0.02 0.00 -1.26 0.00 0.00 59.98 58.34 2jsc h ARG 13 Cb 0.28 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.71 2jsc h ARG 13 CO 0.00 1.19 0.44 1.25 0.56 0.00 0.00 179.97 183.41 2jsc h LEU 14 N -0.24 0.74 -1.90 3.04 7.12 -0.63 -1.04 115.31 122.39 2jsc h LEU 14 Ca -0.35 -0.01 0.11 0.00 0.13 0.00 0.00 57.88 57.76 2jsc h LEU 14 Cb 1.82 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.76 2jsc h LEU 14 CO 0.04 0.52 0.31 1.23 -0.13 0.00 0.00 178.44 180.42 2jsc h GLY 15 N 0.87 0.16 0.93 3.75 0.00 -1.63 0.08 103.07 107.23 2jsc h GLY 15 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2jsc h GLY 15 CO -0.09 0.03 -0.74 -2.13 0.00 0.00 0.00 176.54 173.61 2jsc n ARG 16 N -4.43 0.23 0.12 4.80 0.63 -0.57 -1.43 116.66 116.01 2jsc n ARG 16 Ca 0.07 0.04 -0.03 0.00 -0.92 0.00 0.00 57.85 57.02 2jsc n ARG 16 Cb 0.45 -1.62 0.10 0.00 0.45 0.00 0.00 32.46 31.84 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jsc h ALA 17 N 2.62 0.83 0.10 5.13 0.00 0.21 -3.22 119.26 124.93 2jsc h ALA 17 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 2jsc h ALA 17 Cb 0.69 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2jsc h ALA 17 CO 0.00 0.88 -0.80 -0.07 0.00 0.00 0.00 179.25 179.26 2jsc h LEU 18 N 0.00 0.32 -5.51 0.00 4.07 -1.49 -3.38 115.31 109.32 2jsc h LEU 18 Ca -0.01 -0.91 -0.69 0.00 0.08 0.00 0.00 57.88 56.35 2jsc h LEU 18 Cb 1.25 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 2jsc h LEU 18 CO 0.09 1.36 3.48 0.00 -1.08 0.00 0.00 178.44 182.30 2jsc n ALA 19 N -2.77 6.57 -2.91 1.53 0.00 -0.51 -4.22 120.51 118.19 2jsc n ALA 19 Ca -0.17 -3.71 -0.16 0.00 0.00 0.00 0.00 53.44 49.40 2jsc n ALA 19 Cb 0.76 -3.45 -0.15 0.00 0.00 0.00 0.00 19.45 16.61 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 2.64 0.54 0.00 0.00 -1.08 -1.22 -4.71 116.67 112.85 2jsc s ASP 20 Ca 0.58 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 2jsc s ASP 20 Cb 0.16 -0.09 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 2jsc s ASP 20 CO -0.07 0.04 0.04 -0.81 0.52 0.00 0.00 175.17 174.88 2jsc n PRO 21 N 3.13 0.00 0.25 4.34 -0.04 -1.26 -1.13 135.00 140.28 2jsc n PRO 21 Ca -0.15 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2jsc n PRO 21 Cb 0.57 -0.54 0.62 0.00 -0.04 0.00 0.00 33.50 34.12 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 0.54 -0.06 0.52 2.02 -1.99 -3.12 112.91 110.83 2jsc h THR 22 Ca 0.00 -0.78 -0.23 0.00 0.77 0.00 0.00 66.41 66.17 2jsc h THR 22 Cb 0.00 1.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2jsc h THR 22 CO 0.00 0.16 -0.88 -0.09 0.37 0.00 0.00 175.52 175.08 2jsc h ARG 23 N 0.00 0.59 -0.49 6.66 2.43 -1.91 0.16 114.38 121.82 2jsc h ARG 23 Ca -0.00 -0.56 0.06 0.00 -0.81 0.00 0.00 59.98 58.67 2jsc h ARG 23 Cb 0.51 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2jsc h ARG 23 CO 0.02 1.18 0.19 0.00 -1.51 0.00 0.00 179.97 179.85 2jsc h ARG 25 N 0.38 0.67 -0.41 0.00 2.47 -1.43 -1.02 114.38 115.04 2jsc h ARG 25 Ca 0.23 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.99 2jsc h ARG 25 Cb 0.22 -0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.33 2jsc h ARG 25 CO -0.22 0.44 -0.01 0.82 0.56 0.00 0.00 179.97 181.56 2jsc h ILE 26 N 0.69 0.68 -0.68 2.04 1.08 -0.21 0.17 117.51 121.28 2jsc h ILE 26 Ca 0.22 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.64 2jsc h ILE 26 Cb -0.00 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 2jsc h ILE 26 CO -0.09 0.02 0.36 -0.07 -0.69 0.00 0.00 178.15 177.68 2jsc h LEU 27 N 0.10 0.86 -0.33 1.44 3.38 -0.84 -0.72 115.31 119.20 2jsc h LEU 27 Ca 0.20 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2jsc h LEU 27 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jsc h LEU 27 CO -0.34 0.72 -0.54 1.62 0.09 0.00 0.00 178.44 179.99 2jsc h VAL 28 N 0.93 1.01 -0.00 1.22 3.04 -0.77 -2.54 116.25 119.15 2jsc h VAL 28 Ca 0.24 -2.17 -0.18 0.00 -1.01 0.00 0.00 66.70 63.58 2jsc h VAL 28 Cb 0.07 2.32 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 2jsc h VAL 28 CO -0.04 0.53 -0.83 0.00 -1.01 0.00 0.00 177.57 176.22 2jsc h ALA 29 N 1.46 0.60 -0.34 3.17 0.00 -0.55 -3.18 119.26 120.43 2jsc h ALA 29 Ca -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2jsc h ALA 29 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2jsc h ALA 29 CO 0.07 0.94 0.06 1.25 0.00 0.00 0.00 179.25 181.57 2jsc h LEU 30 N 0.07 0.53 -0.80 0.00 5.85 -1.01 -2.36 115.31 117.58 2jsc h LEU 30 Ca -0.03 -0.26 0.19 0.00 0.84 0.00 0.00 57.88 58.63 2jsc h LEU 30 Cb 1.45 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 42.21 2jsc h LEU 30 CO 0.12 0.65 0.19 -0.07 -0.34 0.00 0.00 178.44 179.00 2jsc h LEU 31 N 0.39 -0.01 -1.45 2.25 3.38 -1.43 0.13 115.31 118.57 2jsc h LEU 31 Ca 0.10 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2jsc h LEU 31 Cb 0.34 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jsc h LEU 31 CO 0.01 -0.09 -0.17 -0.67 0.09 0.00 0.00 178.44 177.61 2jsc n ASP 32 N -5.19 2.41 0.00 -0.43 2.03 -1.24 -4.76 116.55 109.38 2jsc n ASP 32 Ca 0.17 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.75 2jsc n ASP 32 Cb 0.55 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsc n GLY 33 N 1.35 -0.20 3.02 0.27 0.00 -0.36 -5.00 105.19 104.28 2jsc n GLY 33 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.72 0.00 -0.04 1.61 0.24 0.31 -4.86 118.33 113.86 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 -0.19 -0.00 0.00 -1.47 0.00 0.00 33.84 32.17 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 -1.61 -0.45 0.18 0.00 -0.85 -1.26 -4.15 117.35 109.21 2jsc s TYR 36 Ca -0.04 0.51 -0.33 0.00 -0.52 0.00 0.00 57.07 56.69 2jsc s TYR 36 Cb 0.01 0.50 -0.13 0.00 0.38 0.00 0.00 41.96 42.72 2jsc s TYR 36 CO 0.06 -0.58 1.66 -0.35 -1.52 0.00 0.00 175.55 174.82 2jsc n PRO 37 N 0.16 2.49 -0.65 -3.49 -0.04 -1.26 -0.77 135.00 131.44 2jsc n PRO 37 Ca -0.13 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2jsc n PRO 37 Cb 0.61 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2jsc n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jsc n GLY 38 N 3.72 1.41 0.32 0.55 0.00 -1.26 -4.90 105.19 105.03 2jsc n GLY 38 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 2.95 0.79 0.00 1.61 -0.00 -1.36 -2.30 115.11 116.79 2jsc h GLN 39 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2jsc h GLN 39 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.31 2jsc h GLN 39 CO 0.00 0.57 0.00 -0.07 -0.00 0.00 0.00 178.83 179.33 2jsc h LEU 40 N 0.80 0.00 -2.00 0.06 3.38 -1.91 -2.16 115.31 113.48 2jsc h LEU 40 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2jsc h LEU 40 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jsc h LEU 40 CO -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.39 2jsc h ALA 41 N 2.00 1.39 0.00 1.53 0.00 -1.59 -0.24 119.26 122.36 2jsc h ALA 41 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jsc h ALA 41 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jsc h ALA 41 CO 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.37 2jsc h ALA 42 N 1.90 0.00 -0.32 0.00 0.00 -1.57 -2.70 119.26 116.57 2jsc h ALA 42 Ca -0.00 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2jsc h ALA 42 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jsc h ALA 42 CO 0.01 0.00 0.32 0.45 0.00 0.00 0.00 179.25 180.04 2jsc h HIS 43 N -1.00 0.00 0.00 0.00 -0.00 -1.53 -2.50 115.15 110.13 2jsc h HIS 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsc h HIS 43 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 2jsc h HIS 43 CO 0.15 0.00 -0.86 1.28 -0.00 0.00 0.00 177.93 178.50 2jsc n LEU 44 N -3.86 0.42 0.00 2.43 4.77 -0.12 -5.00 117.00 115.63 2jsc n LEU 44 Ca 0.05 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2jsc n LEU 44 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2jsc n LEU 44 CO 0.29 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2jsc n GLY 45 N 1.43 0.22 3.63 -0.72 0.00 -0.94 -4.98 105.19 103.83 2jsc n GLY 45 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 3.43 0.69 0.99 1.43 -1.11 -4.99 118.68 119.12 2jsc s LEU 46 Ca 0.00 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 2jsc s LEU 46 Cb 0.00 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2jsc s LEU 46 CO 0.00 0.35 1.27 0.28 0.23 0.00 0.00 176.35 178.48 2jsc s THR 47 N -0.71 2.04 0.40 5.49 -1.32 -1.26 -4.27 115.64 116.01 2jsc s THR 47 Ca 0.11 0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.79 2jsc s THR 47 Cb -0.12 -2.85 0.38 0.00 -1.51 0.00 0.00 72.50 68.40 2jsc s THR 47 CO 0.02 -0.01 1.81 0.08 -2.21 0.00 0.00 174.62 174.31 2jsc h ARG 48 N 0.16 0.41 -0.27 7.08 0.11 -1.93 0.63 114.38 120.58 2jsc h ARG 48 Ca -0.50 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.52 2jsc h ARG 48 Cb 1.33 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 2jsc h ARG 48 CO 0.51 0.27 0.01 0.77 0.10 0.00 0.00 179.97 181.63 2jsc h SER 49 N 0.43 0.46 -0.27 0.08 0.02 -1.99 -0.53 113.55 111.74 2jsc h SER 49 Ca 0.54 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2jsc h SER 49 Cb 1.32 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2jsc h SER 49 CO -0.24 0.64 -0.02 -1.13 -1.14 0.00 0.00 176.83 174.94 2jsc h ASN 50 N 0.25 0.48 0.19 3.07 -0.73 -1.39 -2.85 115.58 114.60 2jsc h ASN 50 Ca 0.08 -0.32 -0.03 0.00 1.87 0.00 0.00 56.30 57.89 2jsc h ASN 50 Cb 0.41 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.86 2jsc h ASN 50 CO 0.01 0.69 -0.15 0.58 -0.37 0.00 0.00 177.43 178.19 2jsc h VAL 51 N 0.26 0.97 -0.67 2.57 2.07 -0.96 -2.17 116.25 118.32 2jsc h VAL 51 Ca 0.07 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2jsc h VAL 51 Cb 0.45 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2jsc h VAL 51 CO 0.02 0.14 0.25 0.28 0.02 0.00 0.00 177.57 178.28 2jsc h SER 52 N 0.00 0.94 -0.44 0.57 0.02 -0.88 -0.76 113.55 113.00 2jsc h SER 52 Ca -0.00 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 2jsc h SER 52 Cb 0.28 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2jsc h SER 52 CO 0.02 0.87 0.29 0.78 -1.14 0.00 0.00 176.83 177.65 2jsc h ASN 53 N 0.95 0.46 -0.14 3.07 2.35 -1.18 0.26 115.58 121.35 2jsc h ASN 53 Ca 0.22 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 2jsc h ASN 53 Cb 0.24 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 2jsc h ASN 53 CO -0.01 0.32 -0.21 0.45 -1.65 0.00 0.00 177.43 176.33 2jsc h HIS 54 N 0.54 0.48 0.00 1.19 3.86 -1.20 -3.25 115.15 116.77 2jsc h HIS 54 Ca 0.17 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2jsc h HIS 54 Cb 0.02 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2jsc h HIS 54 CO -0.00 0.82 0.00 -0.07 0.86 0.00 0.00 177.93 179.54 2jsc h LEU 55 N -0.00 0.00 0.35 2.43 3.38 -0.60 -3.28 115.31 117.58 2jsc h LEU 55 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jsc h LEU 55 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2jsc h LEU 55 CO 0.05 0.00 -0.30 -1.28 0.09 0.00 0.00 178.44 177.00 2jsc h SER 56 N 0.00 -0.78 0.07 -0.43 0.87 -0.53 -1.05 113.55 111.70 2jsc h SER 56 Ca 0.00 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 2jsc h SER 56 Cb 0.45 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2jsc h SER 56 CO 0.00 -0.44 -0.43 0.00 -0.53 0.00 0.00 176.83 175.44 2jsc h LEU 58 N 0.36 0.80 0.01 0.00 5.85 -1.57 0.11 115.31 120.88 2jsc h LEU 58 Ca 0.03 -0.18 -0.26 0.00 0.84 0.00 0.00 57.88 58.32 2jsc h LEU 58 Cb 0.90 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2jsc h LEU 58 CO 0.08 0.84 -1.37 0.03 -0.34 0.00 0.00 178.44 177.67 2jsc h ARG 59 N 0.80 0.02 -0.29 1.25 3.08 -1.20 -0.79 114.38 117.24 2jsc h ARG 59 Ca 0.16 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2jsc h ARG 59 Cb 0.40 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2jsc h ARG 59 CO 0.01 0.77 -0.08 0.78 -1.07 0.00 0.00 179.97 180.38 2jsc h GLY 60 N 3.15 0.61 2.00 0.04 0.00 -0.88 -2.27 103.07 105.73 2jsc h GLY 60 Ca -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2jsc h GLY 60 CO 0.11 0.47 0.00 0.00 0.00 0.00 0.00 176.54 177.12 2jsc n GLY 62 N 0.44 0.60 0.37 0.00 0.00 -0.85 -4.88 105.19 100.87 2jsc n GLY 62 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.26 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 -8.47 0.99 3.38 -1.47 -3.40 115.31 106.34 2jsc h LEU 63 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2jsc h LEU 63 Cb 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.55 2jsc h LEU 63 CO 0.00 0.00 -0.85 0.68 0.09 0.00 0.00 178.44 178.36 2jsc s VAL 64 N -4.64 1.63 -0.01 1.22 -7.23 -0.63 -1.03 120.40 109.71 2jsc s VAL 64 Ca -0.04 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 2jsc s VAL 64 Cb 0.16 -1.38 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 2jsc s VAL 64 CO 0.56 0.36 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.94 2jsc s VAL 65 N -0.60 0.61 0.30 1.32 1.01 0.37 -4.40 120.40 119.02 2jsc s VAL 65 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2jsc s VAL 65 Cb -0.08 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 2jsc s VAL 65 CO 0.00 0.19 0.59 0.00 0.00 0.00 0.00 175.10 175.88 2jsc s ALA 66 N 0.04 3.58 -0.05 5.51 0.00 -1.26 -0.89 121.76 128.70 2jsc s ALA 66 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 2jsc s ALA 66 Cb -0.06 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2jsc s ALA 66 CO -0.00 0.22 0.12 0.99 0.00 0.00 0.00 175.76 177.09 2jsc s THR 67 N -2.11 -0.02 -0.60 0.00 2.01 -1.07 -4.98 115.64 108.86 2jsc s THR 67 Ca 0.45 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.26 2jsc s THR 67 Cb -0.11 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.24 2jsc s THR 67 CO 0.30 0.04 1.23 -0.31 -0.69 0.00 0.00 174.62 175.18 2jsc s TYR 68 N 0.57 2.54 0.82 4.92 1.51 -1.26 -1.48 117.35 124.97 2jsc s TYR 68 Ca -0.04 0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 56.29 2jsc s TYR 68 Cb -0.06 -4.52 0.13 0.00 -0.11 0.00 0.00 41.96 37.40 2jsc s TYR 68 CO -0.03 -1.68 1.15 -1.21 -1.11 0.00 0.00 175.55 172.68 2jsc s GLU 69 N 5.10 1.48 0.00 -0.62 0.41 -0.25 -4.97 118.70 119.86 2jsc s GLU 69 Ca 0.43 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.59 2jsc s GLU 69 Cb -0.08 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.23 2jsc s GLU 69 CO 0.24 -1.78 0.34 0.41 -0.49 0.00 0.00 175.26 173.98 2jsc n GLY 70 N -3.29 0.82 0.00 -1.39 0.00 -1.26 -3.41 105.19 96.65 2jsc n GLY 70 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.47 0.00 -4.20 1.61 5.12 -1.26 -5.17 116.66 113.23 2jsc n ARG 71 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 2jsc n ARG 71 Cb 0.17 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.38 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2jsc s GLN 72 N 0.00 1.30 0.09 5.56 -1.52 -1.22 -5.18 119.66 118.70 2jsc s GLN 72 Ca 0.00 -1.66 0.09 0.00 -1.95 0.00 0.00 55.36 51.84 2jsc s GLN 72 Cb 0.00 0.29 -0.04 0.00 -0.22 0.00 0.00 33.01 33.04 2jsc s GLN 72 CO 0.00 -0.44 -0.22 0.14 -0.25 0.00 0.00 175.29 174.51 2jsc s VAL 73 N -4.04 2.53 0.47 1.09 -7.23 -1.26 -1.09 120.40 110.87 2jsc s VAL 73 Ca 0.38 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 2jsc s VAL 73 Cb 0.06 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.91 2jsc s VAL 73 CO 0.14 0.19 0.10 -2.11 -0.31 0.00 0.00 175.10 173.11 2jsc n ARG 74 N 1.14 0.85 -4.41 4.82 1.85 -0.55 -4.01 116.66 116.35 2jsc n ARG 74 Ca -0.17 -3.29 -0.22 0.00 -1.00 0.00 0.00 57.85 53.17 2jsc n ARG 74 Cb 0.53 0.74 -0.16 0.00 -1.05 0.00 0.00 32.46 32.52 2jsc n ARG 74 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2jsc s TYR 75 N -2.61 1.11 0.22 2.89 2.02 -1.26 -2.60 117.35 117.12 2jsc s TYR 75 Ca 0.08 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.47 2jsc s TYR 75 Cb -0.01 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.65 2jsc s TYR 75 CO 0.05 -0.21 -0.05 0.00 -1.57 0.00 0.00 175.55 173.78 2jsc s ALA 76 N 0.63 1.84 0.54 3.71 0.00 -0.07 -4.42 121.76 124.00 2jsc s ALA 76 Ca -0.11 -1.72 -0.22 0.00 0.00 0.00 0.00 51.96 49.91 2jsc s ALA 76 Cb -0.14 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2jsc s ALA 76 CO 0.02 -0.16 1.33 1.28 0.00 0.00 0.00 175.76 178.23 2jsc n LEU 77 N -0.40 5.34 -0.33 0.00 4.32 -1.26 -0.48 117.00 124.20 2jsc n LEU 77 Ca -0.07 0.97 0.17 0.00 -0.02 0.00 0.00 56.01 57.07 2jsc n LEU 77 Cb 0.63 -1.56 0.38 0.00 -1.62 0.00 0.00 43.42 41.24 2jsc n LEU 77 CO 0.36 -0.66 1.12 0.00 -1.22 0.00 0.00 177.39 176.99 2jsc h ALA 78 N 1.41 1.71 -2.21 -1.18 0.00 -1.29 -3.43 119.26 114.27 2jsc h ALA 78 Ca -0.50 0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.73 2jsc h ALA 78 Cb 1.31 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 2jsc h ALA 78 CO 0.57 -0.35 0.53 0.34 0.00 0.00 0.00 179.25 180.34 2jsc s ASP 79 N -5.14 -0.21 0.35 0.00 2.15 -1.26 -4.99 116.67 107.57 2jsc s ASP 79 Ca -0.11 -0.27 0.26 0.00 0.43 0.00 0.00 52.55 52.87 2jsc s ASP 79 Cb 0.27 0.42 1.19 0.00 -0.30 0.00 0.00 42.92 44.50 2jsc s ASP 79 CO 0.79 -0.75 1.23 -1.20 -0.17 0.00 0.00 175.17 175.07 2jsc n SER 80 N -0.41 0.16 -0.20 -0.34 7.64 -1.26 -0.94 113.62 118.27 2jsc n SER 80 Ca -0.07 1.08 -0.11 0.00 1.01 0.00 0.00 58.87 60.78 2jsc n SER 80 Cb 0.61 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.55 0.00 1.43 3.86 -1.98 -0.78 115.15 116.12 2jsc h HIS 81 Ca 0.70 0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 59.84 2jsc h HIS 81 Cb 2.27 0.75 -0.02 0.00 1.06 0.00 0.00 27.41 31.47 2jsc h HIS 81 CO -0.00 -0.40 -0.73 -0.07 0.86 0.00 0.00 177.93 177.59 2jsc h LEU 82 N -0.24 0.00 -1.91 2.43 3.38 -1.45 -3.07 115.31 114.46 2jsc h LEU 82 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2jsc h LEU 82 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jsc h LEU 82 CO -0.62 0.73 -0.12 0.00 0.09 0.00 0.00 178.44 178.52 2jsc h ALA 83 N 1.27 1.48 -0.53 1.53 0.00 -1.33 -2.60 119.26 119.08 2jsc h ALA 83 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jsc h ALA 83 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jsc h ALA 83 CO 0.09 0.15 0.00 0.54 0.00 0.00 0.00 179.25 180.04 2jsc n ARG 84 N -3.93 0.00 -0.31 0.00 1.74 -0.33 -1.33 116.66 112.50 2jsc n ARG 84 Ca -0.02 0.41 -0.03 0.00 -0.77 0.00 0.00 57.85 57.44 2jsc n ARG 84 Cb 0.21 -1.22 0.09 0.00 -1.02 0.00 0.00 32.46 30.52 2jsc n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jsc h ALA 85 N -2.00 1.07 -0.21 7.54 0.00 -1.65 0.18 119.26 124.20 2jsc h ALA 85 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2jsc h ALA 85 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2jsc h ALA 85 CO 0.00 0.43 -0.45 1.25 0.00 0.00 0.00 179.25 180.48 2jsc h LEU 86 N 1.10 0.55 -0.35 0.00 7.12 -1.65 -2.15 115.31 119.92 2jsc h LEU 86 Ca 0.32 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 2jsc h LEU 86 Cb -0.08 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 39.88 2jsc h LEU 86 CO -0.09 0.92 0.13 1.23 -0.13 0.00 0.00 178.44 180.51 2jsc h GLY 87 N 1.10 0.57 -1.77 3.75 0.00 0.13 -1.74 103.07 105.10 2jsc h GLY 87 Ca 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2jsc h GLY 87 CO 0.08 0.30 0.02 -1.84 0.00 0.00 0.00 176.54 175.10 2jsc n GLU 88 N -4.68 1.96 0.00 4.80 0.28 0.51 -4.92 120.64 118.58 2jsc n GLU 88 Ca -0.01 -0.83 0.00 0.00 -0.16 0.00 0.00 57.16 56.16 2jsc n GLU 88 Cb 0.15 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.36 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 0.15 0.00 0.00 -1.84 7.94 -0.65 -2.08 117.00 120.52 2jsc n LEU 89 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2jsc n LEU 89 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2jsc n LEU 89 CO 0.09 0.00 0.00 0.52 -1.11 0.00 0.00 177.39 176.89 2jsc n VAL 90 N 0.00 0.00 0.00 1.96 0.31 -0.90 -4.67 118.33 115.02 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 -0.24 5.55 -0.06 -0.88 -4.78 117.38 116.97 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 0.00 -0.29 -0.04 0.00 -4.06 0.00 0.00 30.24 25.85 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 -0.93 0.75 0.00 1.69 3.14 -1.26 -4.68 118.33 117.04 2jsc n VAL 92 Ca 0.00 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2jsc n VAL 92 Cb 0.00 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.24 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 2.68 0.00 0.00 1.55 0.31 -1.26 -3.24 118.33 118.36 2jsc n VAL 93 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2jsc n VAL 93 Cb 0.22 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 -0.31 7.52 7.94 -1.26 -5.07 117.00 125.82 2jsc n LEU 94 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2jsc n LEU 94 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2jsc n LEU 94 CO 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 177.39 176.37 2jsc n ALA 95 N 0.00 1.53 -1.14 1.96 0.00 -1.20 -4.87 120.51 116.79 2jsc n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jsc n ALA 95 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2jsc n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jsc n VAL 96 N 0.04 -4.41 1.28 0.00 0.31 -1.26 -4.85 118.33 109.44 2jsc n VAL 96 Ca 0.00 1.62 0.08 0.00 -0.01 0.00 0.00 64.34 66.03 2jsc n VAL 96 Cb 0.04 -2.65 0.45 0.00 -0.91 0.00 0.00 33.84 30.78 2jsc n VAL 96 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jsc n ASP 97 N 0.22 0.00 -4.82 4.52 9.92 -1.26 -4.83 116.55 120.30 2jsc n ASP 97 Ca 0.00 -0.80 -0.29 0.00 -0.53 0.00 0.00 54.79 53.17 2jsc n ASP 97 Cb 0.00 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.58 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jsc s THR 98 N -2.00 2.03 -0.05 -3.53 -4.23 -1.26 -5.12 115.64 101.48 2jsc s THR 98 Ca 0.23 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2jsc s THR 98 Cb 0.11 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.97 2jsc s THR 98 CO 0.18 0.00 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.61 2jsc s ASP 99 N -4.61 1.15 0.24 3.99 2.15 -1.26 -5.15 116.67 113.18 2jsc s ASP 99 Ca 0.63 -0.12 -0.12 0.00 0.43 0.00 0.00 52.55 53.37 2jsc s ASP 99 Cb -0.10 -0.45 -0.01 0.00 -0.30 0.00 0.00 42.92 42.06 2jsc s ASP 99 CO 0.49 -0.10 0.46 -1.10 -0.17 0.00 0.00 175.17 174.75 2jsc s GLN 100 N 1.23 1.53 0.20 4.34 -1.52 -1.26 -5.18 119.66 119.00 2jsc s GLN 100 Ca -0.06 -1.28 -0.03 0.00 -1.95 0.00 0.00 55.36 52.03 2jsc s GLN 100 Cb -0.14 0.46 0.05 0.00 -0.22 0.00 0.00 33.01 33.16 2jsc s GLN 100 CO -0.02 -0.63 0.21 -0.35 -0.25 0.00 0.00 175.29 174.26 2jsc n PRO 101 N -0.38 -0.97 -1.13 2.91 -0.04 -1.26 -5.01 135.00 129.12 2jsc n PRO 101 Ca -0.01 -0.34 -0.34 0.00 -0.04 0.00 0.00 63.50 62.77 2jsc n PRO 101 Cb 0.62 -0.28 0.12 0.00 -0.04 0.00 0.00 33.50 33.93 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc n VAL 103 N -3.20 0.16 0.17 0.00 0.31 -1.26 -1.42 118.33 113.09 2jsc n VAL 103 Ca 0.13 0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.54 2jsc n VAL 103 Cb 0.50 -0.65 0.21 0.00 -0.91 0.00 0.00 33.84 32.99 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsc h ALA 104 N 3.27 0.84 -3.00 3.52 0.00 -2.05 -3.46 119.26 118.39 2jsc h ALA 104 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jsc h ALA 104 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jsc h ALA 104 CO 0.00 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.20 2jsc n GLU 105 N -3.40 3.33 0.00 0.00 1.02 -0.51 -5.26 120.64 115.82 2jsc n GLU 105 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2jsc n GLU 105 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 2jsc n GLU 105 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18