#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 0.81 -0.01 0.00 -0.00 -2.00 0.83 115.31 114.93 2jsc h LEU 11 Ca 0.00 0.08 -0.26 0.00 -0.00 0.00 0.00 57.88 57.70 2jsc h LEU 11 Cb 0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2jsc h LEU 11 CO 0.00 0.34 -1.11 0.00 -0.00 0.00 0.00 178.44 177.67 2jsc h ALA 12 N 1.61 0.19 0.00 1.53 0.00 -2.06 -3.30 119.26 117.23 2jsc h ALA 12 Ca 0.54 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2jsc h ALA 12 Cb 0.78 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jsc h ALA 12 CO -0.33 0.82 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 2jsc h ARG 13 N 0.21 0.00 -0.31 0.00 2.47 -1.35 -2.26 114.38 113.13 2jsc h ARG 13 Ca -0.12 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.65 2jsc h ARG 13 Cb 1.77 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 30.01 2jsc h ARG 13 CO 0.20 0.12 -0.45 1.25 0.56 0.00 0.00 179.97 181.64 2jsc h LEU 14 N 0.00 -1.48 -0.22 3.04 7.12 -1.16 0.60 115.31 123.22 2jsc h LEU 14 Ca -0.00 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2jsc h LEU 14 Cb 0.24 0.62 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 2jsc h LEU 14 CO 0.02 -0.40 0.00 0.61 -0.13 0.00 0.00 178.44 178.54 2jsc n GLY 15 N -1.42 -1.57 0.27 3.75 0.00 -0.89 -1.00 105.19 104.33 2jsc n GLY 15 Ca -0.02 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2jsc n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jsc h ARG 16 N 0.00 -0.64 -0.77 1.61 2.47 -0.97 -3.21 114.38 112.87 2jsc h ARG 16 Ca 0.00 0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 2jsc h ARG 16 Cb 0.62 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 29.05 2jsc h ARG 16 CO 0.00 -0.43 0.44 0.00 0.56 0.00 0.00 179.97 180.54 2jsc h ALA 17 N -1.44 1.33 0.00 0.04 0.00 -0.66 -0.35 119.26 118.18 2jsc h ALA 17 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jsc h ALA 17 Cb 0.51 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jsc h ALA 17 CO 0.11 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.20 2jsc n LEU 18 N -4.37 0.71 -0.39 0.00 4.32 -0.17 -3.06 117.00 114.03 2jsc n LEU 18 Ca 0.08 0.57 0.07 0.00 -0.02 0.00 0.00 56.01 56.71 2jsc n LEU 18 Cb 0.08 -0.35 0.18 0.00 -1.62 0.00 0.00 43.42 41.71 2jsc n LEU 18 CO 0.38 -0.17 0.51 0.00 -1.22 0.00 0.00 177.39 176.89 2jsc n ALA 19 N -1.75 2.96 -2.37 -1.18 0.00 -0.91 -4.62 120.51 112.64 2jsc n ALA 19 Ca 0.06 -2.89 -0.33 0.00 0.00 0.00 0.00 53.44 50.28 2jsc n ALA 19 Cb 0.41 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.92 6.69 0.00 0.00 1.01 -0.19 -4.98 116.67 116.28 2jsc s ASP 20 Ca 0.36 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.62 2jsc s ASP 20 Cb 0.33 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2jsc s ASP 20 CO -0.00 -0.04 0.00 -0.81 0.21 0.00 0.00 175.17 174.53 2jsc n PRO 21 N 0.09 0.00 -0.36 8.23 -0.04 -1.26 -0.97 135.00 140.69 2jsc n PRO 21 Ca -0.01 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.71 2jsc n PRO 21 Cb 0.52 -0.02 0.53 0.00 -0.04 0.00 0.00 33.50 34.50 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 0.40 -0.46 0.52 1.35 -1.98 -2.33 112.91 110.42 2jsc h THR 22 Ca 0.00 -0.11 -0.08 0.00 -0.55 0.00 0.00 66.41 65.67 2jsc h THR 22 Cb 0.00 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 66.45 2jsc h THR 22 CO 0.00 0.06 -0.03 -0.09 -0.25 0.00 0.00 175.52 175.21 2jsc h ARG 23 N 0.32 0.77 -0.26 4.72 2.43 -1.85 0.22 114.38 120.72 2jsc h ARG 23 Ca 0.67 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.57 2jsc h ARG 23 Cb 1.78 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.23 2jsc h ARG 23 CO -0.37 0.80 -0.06 0.00 -1.51 0.00 0.00 179.97 178.82 2jsc h ARG 25 N 0.26 0.64 -0.19 0.00 9.65 -0.80 -0.94 114.38 123.00 2jsc h ARG 25 Ca 0.07 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 2jsc h ARG 25 Cb 0.53 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 2jsc h ARG 25 CO 0.03 0.42 -0.07 0.82 2.80 0.00 0.00 179.97 183.96 2jsc h ILE 26 N 0.66 0.75 -0.85 1.20 1.08 -0.62 0.62 117.51 120.34 2jsc h ILE 26 Ca 0.40 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.86 2jsc h ILE 26 Cb 0.47 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 2jsc h ILE 26 CO -0.30 0.00 0.48 -0.07 -0.69 0.00 0.00 178.15 177.57 2jsc h LEU 27 N -0.04 1.06 0.07 1.44 3.38 -1.08 0.91 115.31 121.03 2jsc h LEU 27 Ca 0.10 -0.09 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 2jsc h LEU 27 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jsc h LEU 27 CO -0.22 0.85 -1.17 1.62 0.09 0.00 0.00 178.44 179.60 2jsc h VAL 28 N 1.18 1.55 0.00 1.22 3.04 -1.18 -2.99 116.25 119.08 2jsc h VAL 28 Ca 0.30 -3.20 -0.12 0.00 -1.01 0.00 0.00 66.70 62.67 2jsc h VAL 28 Cb 0.02 2.87 -0.02 0.00 -2.01 0.00 0.00 31.29 32.15 2jsc h VAL 28 CO -0.05 0.91 -0.58 0.00 -1.01 0.00 0.00 177.57 176.84 2jsc h ALA 29 N 0.78 0.87 -0.58 3.17 0.00 -0.78 -2.97 119.26 119.74 2jsc h ALA 29 Ca -0.09 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 2jsc h ALA 29 Cb 1.89 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2jsc h ALA 29 CO 0.16 0.72 -0.03 1.25 0.00 0.00 0.00 179.25 181.36 2jsc h LEU 30 N 0.00 1.01 -0.20 0.00 5.85 -0.85 -2.05 115.31 119.07 2jsc h LEU 30 Ca -0.01 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.45 2jsc h LEU 30 Cb 1.15 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2jsc h LEU 30 CO 0.08 1.08 -0.42 0.25 -0.34 0.00 0.00 178.44 179.08 2jsc h LEU 31 N 0.93 -1.36 -1.99 2.25 6.46 -1.37 0.27 115.31 120.51 2jsc h LEU 31 Ca 0.16 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 2jsc h LEU 31 Cb 0.58 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 2jsc h LEU 31 CO 0.03 -0.34 0.07 0.47 -0.62 0.00 0.00 178.44 178.05 2jsc n ASP 32 N -4.73 2.62 0.00 1.25 8.00 -1.18 -4.47 116.55 118.04 2jsc n ASP 32 Ca -0.04 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.24 2jsc n ASP 32 Cb 0.27 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jsc n GLY 33 N 0.18 0.35 4.47 0.44 0.00 -0.33 -5.01 105.19 105.29 2jsc n GLY 33 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.28 -0.13 -0.01 1.61 0.24 0.81 -4.90 118.33 115.67 2jsc n VAL 34 Ca 0.00 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.34 62.23 2jsc n VAL 34 Cb 0.00 -0.56 -0.00 0.00 -1.47 0.00 0.00 33.84 31.81 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 -1.23 -0.53 0.15 0.00 1.13 -1.26 -4.17 117.35 111.44 2jsc s TYR 36 Ca -0.03 0.45 -0.33 0.00 -1.41 0.00 0.00 57.07 55.75 2jsc s TYR 36 Cb 0.00 0.49 -0.13 0.00 -1.10 0.00 0.00 41.96 41.23 2jsc s TYR 36 CO 0.04 -0.78 1.66 -0.35 -2.51 0.00 0.00 175.55 173.61 2jsc n PRO 37 N -0.07 2.35 -0.93 -3.49 -0.04 -1.26 -0.93 135.00 130.63 2jsc n PRO 37 Ca -0.17 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 2jsc n PRO 37 Cb 0.63 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.69 1.11 0.36 0.55 0.00 -1.26 -4.90 105.19 104.73 2jsc n GLY 38 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 2.90 1.00 0.00 1.61 -0.00 -1.45 -2.42 115.11 116.75 2jsc h GLN 39 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 2jsc h GLN 39 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 27.48 27.25 2jsc h GLN 39 CO 0.00 0.66 0.00 -0.07 -0.00 0.00 0.00 178.83 179.42 2jsc h LEU 40 N 1.03 0.00 -1.51 0.06 3.38 -1.91 -0.97 115.31 115.40 2jsc h LEU 40 Ca 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 2jsc h LEU 40 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jsc h LEU 40 CO -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.36 2jsc h ALA 41 N 2.01 1.60 0.01 1.53 0.00 -1.63 -0.37 119.26 122.41 2jsc h ALA 41 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jsc h ALA 41 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jsc h ALA 41 CO 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.54 2jsc h ALA 42 N 1.71 -0.02 -0.80 0.00 0.00 -1.35 -1.10 119.26 117.70 2jsc h ALA 42 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.67 2jsc h ALA 42 Cb 0.28 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2jsc h ALA 42 CO 0.01 -0.16 0.53 0.45 0.00 0.00 0.00 179.25 180.08 2jsc h HIS 43 N -0.72 0.90 0.00 0.00 -0.00 -1.54 -3.19 115.15 110.59 2jsc h HIS 43 Ca -0.00 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.28 2jsc h HIS 43 Cb 0.69 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 2jsc h HIS 43 CO 0.17 0.49 -1.97 1.28 -0.00 0.00 0.00 177.93 177.89 2jsc n LEU 44 N -4.48 0.15 0.00 2.43 4.77 -0.16 -4.99 117.00 114.71 2jsc n LEU 44 Ca 0.12 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2jsc n LEU 44 Cb 0.19 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2jsc n LEU 44 CO 0.34 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2jsc n GLY 45 N 1.40 0.48 3.93 -0.72 0.00 -0.42 -5.03 105.19 104.83 2jsc n GLY 45 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 4.22 0.49 0.99 1.02 -1.21 -5.02 118.68 119.17 2jsc s LEU 46 Ca 0.00 0.37 -0.23 0.00 0.02 0.00 0.00 54.13 54.29 2jsc s LEU 46 Cb 0.00 -3.15 -0.07 0.00 0.02 0.00 0.00 46.19 42.99 2jsc s LEU 46 CO 0.00 -0.06 1.30 1.07 0.02 0.00 0.00 176.35 178.67 2jsc n THR 47 N -0.81 3.20 0.21 5.49 5.66 -1.26 -4.36 114.28 122.40 2jsc n THR 47 Ca -0.05 -0.50 0.18 0.00 -3.05 0.00 0.00 64.05 60.63 2jsc n THR 47 Cb 0.54 -1.61 0.83 0.00 -1.55 0.00 0.00 70.33 68.55 2jsc n THR 47 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2jsc h ARG 48 N 1.71 0.00 0.53 1.09 3.08 -1.93 0.14 114.38 119.00 2jsc h ARG 48 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 2jsc h ARG 48 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.36 2jsc h ARG 48 CO 0.58 0.00 -0.25 0.77 -1.07 0.00 0.00 179.97 180.00 2jsc h SER 49 N 0.00 -0.60 -0.33 7.04 0.02 -2.00 -2.43 113.55 115.25 2jsc h SER 49 Ca 0.10 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 2jsc h SER 49 Cb 0.66 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2jsc h SER 49 CO -0.00 -0.34 -0.09 0.78 -1.14 0.00 0.00 176.83 176.04 2jsc h ASN 50 N -0.90 0.74 -0.39 3.07 4.21 -1.76 -1.13 115.58 119.42 2jsc h ASN 50 Ca -0.07 -0.21 0.07 0.00 1.21 0.00 0.00 56.30 57.30 2jsc h ASN 50 Cb 0.55 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 2jsc h ASN 50 CO 0.12 0.86 0.27 0.58 -1.29 0.00 0.00 177.43 177.97 2jsc h VAL 51 N 0.69 0.91 -0.02 2.81 2.07 -0.86 -0.40 116.25 121.44 2jsc h VAL 51 Ca 0.12 -0.07 -0.23 0.00 0.82 0.00 0.00 66.70 67.33 2jsc h VAL 51 Cb 0.55 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2jsc h VAL 51 CO 0.03 0.04 -0.94 0.28 0.02 0.00 0.00 177.57 177.00 2jsc h SER 52 N 0.21 0.68 -0.33 0.57 0.02 -0.72 -2.95 113.55 111.03 2jsc h SER 52 Ca 0.18 -0.53 0.06 0.00 -0.84 0.00 0.00 61.79 60.66 2jsc h SER 52 Cb 0.43 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 2jsc h SER 52 CO -0.03 1.32 -0.01 0.78 -1.14 0.00 0.00 176.83 177.75 2jsc h ASN 53 N 0.31 -0.16 0.41 3.07 2.35 -0.44 -0.72 115.58 120.40 2jsc h ASN 53 Ca -0.09 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jsc h ASN 53 Cb 1.57 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 40.09 2jsc h ASN 53 CO 0.17 -0.04 -0.02 0.45 -1.65 0.00 0.00 177.43 176.34 2jsc h HIS 54 N 0.08 0.00 0.00 1.19 3.86 -1.15 -2.40 115.15 116.73 2jsc h HIS 54 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2jsc h HIS 54 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2jsc h HIS 54 CO -0.25 0.02 -0.85 -0.07 0.86 0.00 0.00 177.93 177.65 2jsc h LEU 55 N 0.00 0.00 0.22 2.43 3.38 -1.03 -3.38 115.31 116.94 2jsc h LEU 55 Ca -0.00 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jsc h LEU 55 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2jsc h LEU 55 CO 0.00 0.03 -0.43 0.28 0.09 0.00 0.00 178.44 178.40 2jsc h SER 56 N 0.00 -1.25 -0.31 -0.43 0.02 -0.65 -2.35 113.55 108.59 2jsc h SER 56 Ca 0.00 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2jsc h SER 56 Cb 0.94 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 2jsc h SER 56 CO 0.00 -0.53 0.01 0.00 -1.14 0.00 0.00 176.83 175.17 2jsc h LEU 58 N 0.33 0.62 0.00 0.00 5.85 -1.72 -0.04 115.31 120.35 2jsc h LEU 58 Ca 0.09 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2jsc h LEU 58 Cb 0.42 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2jsc h LEU 58 CO 0.01 0.20 -0.52 0.03 -0.34 0.00 0.00 178.44 177.82 2jsc h ARG 59 N 0.64 0.00 0.03 1.25 3.08 -1.37 -0.60 114.38 117.41 2jsc h ARG 59 Ca 0.54 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.22 2jsc h ARG 59 Cb 0.86 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 2jsc h ARG 59 CO -0.41 0.08 -2.14 0.41 -1.07 0.00 0.00 179.97 176.85 2jsc n GLY 60 N 1.17 -0.53 0.12 0.04 0.00 -0.68 -4.21 105.19 101.09 2jsc n GLY 60 Ca 0.01 -0.12 0.10 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 -0.53 0.93 0.17 0.00 0.00 -1.23 -4.64 105.19 99.89 2jsc n GLY 62 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -8.17 0.99 3.38 -1.47 -3.42 115.31 106.62 2jsc h LEU 63 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2jsc h LEU 63 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2jsc h LEU 63 CO 0.00 0.48 -0.65 0.68 0.09 0.00 0.00 178.44 179.04 2jsc s VAL 64 N -3.74 0.20 0.06 1.22 -7.23 -0.54 -1.58 120.40 108.79 2jsc s VAL 64 Ca -0.01 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2jsc s VAL 64 Cb 0.12 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 2jsc s VAL 64 CO 0.73 -0.92 0.01 -0.69 -0.31 0.00 0.00 175.10 173.92 2jsc s VAL 65 N -3.69 0.20 0.25 1.32 1.01 0.47 -4.25 120.40 115.70 2jsc s VAL 65 Ca 0.05 -1.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.10 2jsc s VAL 65 Cb 0.06 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.80 2jsc s VAL 65 CO -0.09 -0.90 0.72 0.00 0.00 0.00 0.00 175.10 174.82 2jsc s ALA 66 N -3.93 3.39 0.27 5.51 0.00 -1.26 -0.72 121.76 125.02 2jsc s ALA 66 Ca 0.09 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.17 2jsc s ALA 66 Cb 0.08 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 2jsc s ALA 66 CO -0.09 0.34 0.22 0.99 0.00 0.00 0.00 175.76 177.23 2jsc s THR 67 N -1.68 0.00 -0.16 0.00 2.01 -0.64 -4.92 115.64 110.25 2jsc s THR 67 Ca 0.46 -1.96 -0.03 0.00 0.31 0.00 0.00 61.69 60.48 2jsc s THR 67 Cb -0.14 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 2jsc s THR 67 CO 0.20 0.00 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.75 2jsc s TYR 68 N -3.78 2.94 -1.51 4.92 1.51 -1.26 -0.29 117.35 119.88 2jsc s TYR 68 Ca 0.39 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2jsc s TYR 68 Cb 0.04 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2jsc s TYR 68 CO 0.19 -0.22 0.79 -0.85 -1.11 0.00 0.00 175.55 174.36 2jsc n GLU 69 N 3.85 1.09 0.00 -0.62 0.28 0.36 -4.91 120.64 120.69 2jsc n GLU 69 Ca -0.18 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 2jsc n GLU 69 Cb 0.52 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.13 2jsc n GLU 69 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jsc n GLY 70 N 0.29 1.55 0.21 -1.84 0.00 -1.26 -4.37 105.19 99.78 2jsc n GLY 70 Ca 0.01 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2jsc n GLY 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jsc h ARG 71 N 0.00 0.00 -2.59 1.61 2.43 -2.02 -3.47 114.38 110.34 2jsc h ARG 71 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2jsc h ARG 71 Cb 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.46 2jsc h ARG 71 CO 0.00 0.00 0.38 -1.14 -1.51 0.00 0.00 179.97 177.70 2jsc s GLN 72 N -3.35 1.32 0.39 0.20 2.00 -1.26 -5.17 119.66 113.79 2jsc s GLN 72 Ca 0.05 -0.68 -0.10 0.00 -2.00 0.00 0.00 55.36 52.64 2jsc s GLN 72 Cb 0.08 0.48 -0.06 0.00 0.80 0.00 0.00 33.01 34.31 2jsc s GLN 72 CO 0.59 -0.60 0.74 0.14 -0.50 0.00 0.00 175.29 175.67 2jsc s VAL 73 N -3.49 4.82 0.27 1.34 -7.23 -1.26 -0.49 120.40 114.36 2jsc s VAL 73 Ca 0.10 0.53 0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2jsc s VAL 73 Cb -0.03 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 2jsc s VAL 73 CO 0.00 -0.51 0.08 0.00 -0.31 0.00 0.00 175.10 174.36 2jsc s ARG 74 N -3.85 1.45 0.29 4.82 1.70 0.60 -4.00 118.95 119.96 2jsc s ARG 74 Ca 0.50 -1.78 0.08 0.00 -0.47 0.00 0.00 55.73 54.05 2jsc s ARG 74 Cb -0.10 -0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 2jsc s ARG 74 CO 0.32 -0.25 0.17 0.71 -1.08 0.00 0.00 175.30 175.17 2jsc s TYR 75 N -3.62 2.92 -0.01 5.89 2.02 -1.26 -1.62 117.35 121.67 2jsc s TYR 75 Ca 0.36 -0.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.65 2jsc s TYR 75 Cb 0.08 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2jsc s TYR 75 CO 0.13 0.43 0.41 0.00 -1.57 0.00 0.00 175.55 174.95 2jsc s ALA 76 N -2.26 -1.03 0.56 3.71 0.00 0.10 -4.39 121.76 118.45 2jsc s ALA 76 Ca 0.35 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.62 2jsc s ALA 76 Cb -0.06 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2jsc s ALA 76 CO 0.24 -0.33 1.26 -1.17 0.00 0.00 0.00 175.76 175.76 2jsc s LEU 77 N -1.47 3.79 0.00 0.00 2.96 -1.26 -0.40 118.68 122.30 2jsc s LEU 77 Ca -0.11 2.53 0.25 0.00 -0.22 0.00 0.00 54.13 56.57 2jsc s LEU 77 Cb -0.03 -4.42 1.15 0.00 0.50 0.00 0.00 46.19 43.39 2jsc s LEU 77 CO 0.04 -1.50 1.81 0.00 -1.32 0.00 0.00 176.35 175.38 2jsc n ALA 78 N -1.22 2.19 -3.61 5.97 0.00 -0.61 -4.72 120.51 118.51 2jsc n ALA 78 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jsc n ALA 78 Cb 0.48 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 2jsc n ALA 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jsc s ASP 79 N -2.80 -0.01 0.56 0.00 2.15 -1.26 -5.00 116.67 110.31 2jsc s ASP 79 Ca 0.17 -0.01 0.35 0.00 0.43 0.00 0.00 52.55 53.50 2jsc s ASP 79 Cb 0.16 0.02 1.50 0.00 -0.30 0.00 0.00 42.92 44.29 2jsc s ASP 79 CO 0.42 -0.03 1.76 -1.28 -0.17 0.00 0.00 175.17 175.87 2jsc h SER 80 N 2.00 0.00 -0.04 -0.34 0.87 -1.98 -2.10 113.55 111.97 2jsc h SER 80 Ca -0.16 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2jsc h SER 80 Cb 1.15 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2jsc h SER 80 CO 0.23 0.00 -0.27 0.45 -0.53 0.00 0.00 176.83 176.72 2jsc h HIS 81 N 0.00 -0.79 -0.20 2.24 3.86 -1.98 0.15 115.15 118.42 2jsc h HIS 81 Ca 0.52 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.65 2jsc h HIS 81 Cb 2.23 0.35 -0.01 0.00 1.06 0.00 0.00 27.41 31.04 2jsc h HIS 81 CO 0.00 -0.28 -0.33 -0.07 0.86 0.00 0.00 177.93 178.11 2jsc h LEU 82 N -0.31 0.44 -0.43 2.43 3.38 -1.80 -1.87 115.31 117.15 2jsc h LEU 82 Ca 0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2jsc h LEU 82 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2jsc h LEU 82 CO -0.20 0.75 0.08 0.00 0.09 0.00 0.00 178.44 179.16 2jsc h ALA 83 N 1.28 0.57 0.04 1.53 0.00 -1.17 0.55 119.26 122.06 2jsc h ALA 83 Ca 0.04 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 2jsc h ALA 83 Cb 0.77 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jsc h ALA 83 CO 0.06 0.27 -1.08 0.07 0.00 0.00 0.00 179.25 178.58 2jsc h ARG 84 N 0.56 0.09 -0.09 0.00 -0.00 -0.72 -1.13 114.38 113.10 2jsc h ARG 84 Ca 0.13 -0.16 -0.17 0.00 -0.00 0.00 0.00 59.98 59.79 2jsc h ARG 84 Cb 0.36 0.06 0.01 0.00 -0.00 0.00 0.00 29.97 30.39 2jsc h ARG 84 CO 0.01 1.07 -0.60 0.00 -0.00 0.00 0.00 179.97 180.45 2jsc h ALA 85 N 0.86 0.19 -0.30 0.08 0.00 -1.22 -1.04 119.26 117.84 2jsc h ALA 85 Ca -0.05 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 2jsc h ALA 85 Cb 1.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2jsc h ALA 85 CO 0.15 0.44 -0.22 1.25 0.00 0.00 0.00 179.25 180.88 2jsc h LEU 86 N 0.17 0.71 -0.78 0.00 6.46 -1.00 -3.22 115.31 117.64 2jsc h LEU 86 Ca -0.05 -0.44 -0.13 0.00 -0.12 0.00 0.00 57.88 57.14 2jsc h LEU 86 Cb 1.25 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 2jsc h LEU 86 CO 0.12 1.00 -0.60 1.23 -0.62 0.00 0.00 178.44 179.58 2jsc h GLY 87 N 0.42 0.04 2.00 3.75 0.00 -1.26 -0.99 103.07 107.04 2jsc h GLY 87 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2jsc h GLY 87 CO 0.06 0.05 -0.08 -2.09 0.00 0.00 0.00 176.54 174.48 2jsc h GLU 88 N 0.03 0.00 -0.48 4.80 4.57 -1.28 -3.50 114.58 118.73 2jsc h GLU 88 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2jsc h GLU 88 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2jsc h GLU 88 CO 0.08 0.08 -0.12 -0.11 -1.18 0.00 0.00 179.01 177.76 2jsc n LEU 89 N -3.81 -0.37 0.00 1.64 7.94 -0.38 -4.54 117.00 117.49 2jsc n LEU 89 Ca -0.02 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 2jsc n LEU 89 Cb 0.18 0.47 0.00 0.00 0.53 0.00 0.00 43.42 44.60 2jsc n LEU 89 CO 0.30 -0.08 0.10 1.33 -1.11 0.00 0.00 177.39 177.93 2jsc n VAL 90 N -1.54 0.00 0.00 1.96 0.24 -1.26 -4.79 118.33 112.94 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 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 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 -0.67 0.00 -1.53 7.34 1.13 -1.26 -4.91 117.38 117.47 2jsc n GLN 91 Ca 0.00 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.66 2jsc n GLN 91 Cb 0.00 -0.14 -0.06 0.00 0.11 0.00 0.00 30.24 30.16 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 0.00 0.04 0.00 5.09 3.14 -1.26 -4.07 118.33 121.27 2jsc n VAL 92 Ca 0.00 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 2jsc n VAL 92 Cb 0.00 -2.23 0.00 0.00 -1.06 0.00 0.00 33.84 30.55 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 7.76 0.00 0.00 1.55 0.31 -1.26 -2.76 118.33 123.94 2jsc n VAL 93 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 2jsc n VAL 93 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 -4.57 7.52 -0.00 -1.26 -5.01 117.00 113.67 2jsc n LEU 94 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 2jsc n LEU 94 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2jsc n LEU 94 CO 0.00 0.00 1.20 0.00 -0.00 0.00 0.00 177.39 178.59 2jsc s ALA 95 N 0.00 0.79 0.60 1.96 0.00 -1.11 -4.95 121.76 119.06 2jsc s ALA 95 Ca 0.00 -1.48 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 2jsc s ALA 95 Cb 0.00 -4.67 -0.03 0.00 0.00 0.00 0.00 23.12 18.42 2jsc s ALA 95 CO 0.00 -6.36 1.25 0.08 0.00 0.00 0.00 175.76 170.73 2jsc s VAL 96 N 15.28 2.37 -1.28 0.00 1.01 -1.26 -4.95 120.40 131.56 2jsc s VAL 96 Ca 0.81 0.24 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2jsc s VAL 96 Cb -0.06 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2jsc s VAL 96 CO 0.15 -0.04 0.83 0.47 0.00 0.00 0.00 175.10 176.50 2jsc n ASP 97 N -1.62 0.00 -4.62 3.32 9.92 -1.26 -4.78 116.55 117.51 2jsc n ASP 97 Ca 0.14 0.33 -0.43 0.00 -0.53 0.00 0.00 54.79 54.30 2jsc n ASP 97 Cb 0.49 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.61 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 -2.65 4.09 -1.13 -3.53 -4.23 -1.26 -4.58 115.64 102.34 2jsc s THR 98 Ca 0.00 1.19 -0.17 0.00 -1.18 0.00 0.00 61.69 61.53 2jsc s THR 98 Cb 0.00 -4.20 -0.06 0.00 1.34 0.00 0.00 72.50 69.58 2jsc s THR 98 CO 0.00 -0.59 2.11 -0.67 -0.54 0.00 0.00 174.62 174.93 2jsc n ASP 99 N 7.95 3.39 -4.71 3.99 2.03 -1.26 -4.97 116.55 122.97 2jsc n ASP 99 Ca 0.15 -2.75 -0.39 0.00 0.52 0.00 0.00 54.79 52.32 2jsc n ASP 99 Cb 0.47 -1.39 0.03 0.00 -0.72 0.00 0.00 41.12 39.51 2jsc n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jsc n GLN 100 N 6.40 1.67 -1.94 -0.67 3.00 -1.26 -4.89 117.38 119.69 2jsc n GLN 100 Ca 0.51 0.61 -0.41 0.00 -0.01 0.00 0.00 57.00 57.70 2jsc n GLN 100 Cb 0.39 -2.44 -0.02 0.00 0.00 0.00 0.00 30.24 28.16 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 -2.61 4.22 -0.77 -1.09 0.04 -1.26 -4.86 135.00 128.67 2jsc s PRO 101 Ca 0.68 2.39 -0.16 0.00 0.04 0.00 0.00 61.00 63.95 2jsc s PRO 101 Cb -0.45 -3.07 -0.12 0.00 0.04 0.00 0.00 34.50 30.90 2jsc s PRO 101 CO 0.52 -0.46 1.95 0.00 0.04 0.00 0.00 177.00 179.05 2jsc n VAL 103 N 5.40 -0.32 -3.23 0.00 3.14 -1.26 -2.92 118.33 119.14 2jsc n VAL 103 Ca 0.46 1.64 -0.39 0.00 -2.96 0.00 0.00 64.34 63.09 2jsc n VAL 103 Cb 0.30 -2.24 -0.06 0.00 -1.06 0.00 0.00 33.84 30.79 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jsc s ALA 104 N -5.84 3.48 -1.44 1.55 0.00 -1.26 -4.04 121.76 114.21 2jsc s ALA 104 Ca -0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 2jsc s ALA 104 Cb 0.18 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.61 2jsc s ALA 104 CO 0.54 0.12 0.54 0.39 0.00 0.00 0.00 175.76 177.35 2jsc n GLU 105 N 2.99 -4.22 0.00 0.00 4.71 -1.26 -5.24 120.64 117.62 2jsc n GLU 105 Ca -0.07 0.73 0.02 0.00 -0.01 0.00 0.00 57.16 57.84 2jsc n GLU 105 Cb 0.51 -5.53 0.14 0.00 -1.01 0.00 0.00 31.44 25.55 2jsc n GLU 105 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09