#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpf h GLN 2 N 0.00 0.67 -6.60 -1.58 1.08 -2.11 -3.45 115.11 103.11 2jpf h GLN 2 Ca 0.00 -0.35 -0.35 0.00 -1.45 0.00 0.00 58.65 56.50 2jpf h GLN 2 Cb 0.00 0.01 0.19 0.00 -0.05 0.00 0.00 27.48 27.63 2jpf h GLN 2 CO 0.00 0.95 -0.41 1.04 -0.95 0.00 0.00 178.83 179.46 2jpf n GLN 3 N -4.30 -2.91 -0.67 1.46 1.13 -1.26 -4.93 117.38 105.90 2jpf n GLN 3 Ca -0.04 -0.85 -0.32 0.00 -1.94 0.00 0.00 57.00 53.85 2jpf n GLN 3 Cb 0.45 -1.75 0.17 0.00 0.11 0.00 0.00 30.24 29.22 2jpf n GLN 3 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jpf n LEU 4 N -3.20 -2.14 -4.95 1.08 7.99 -1.26 -5.00 117.00 109.52 2jpf n LEU 4 Ca 0.06 -0.09 -0.27 0.00 -0.01 0.00 0.00 56.01 55.69 2jpf n LEU 4 Cb 0.52 -0.98 0.15 0.00 -0.11 0.00 0.00 43.42 42.99 2jpf n LEU 4 CO 0.40 -3.13 0.75 0.00 -1.51 0.00 0.00 177.39 173.91 2jpf s GLN 5 N -3.49 1.09 0.15 3.23 -2.07 -1.26 -5.08 119.66 112.24 2jpf s GLN 5 Ca 0.56 -0.64 -0.08 0.00 -1.82 0.00 0.00 55.36 53.38 2jpf s GLN 5 Cb -0.13 -2.03 -0.06 0.00 -1.09 0.00 0.00 33.01 29.70 2jpf s GLN 5 CO 0.66 -2.01 0.45 -1.21 -1.32 0.00 0.00 175.29 171.86 2jpf s GLU 6 N -5.60 3.74 -0.16 9.60 2.02 -1.26 -5.03 118.70 122.02 2jpf s GLU 6 Ca 0.70 0.14 -0.17 0.00 0.02 0.00 0.00 54.97 55.67 2jpf s GLU 6 Cb -0.05 -2.84 -0.14 0.00 0.10 0.00 0.00 34.13 31.21 2jpf s GLU 6 CO 0.50 0.45 0.23 0.45 0.02 0.00 0.00 175.26 176.90 2jpf h HIS 7 N 3.05 0.00 -3.63 1.61 3.86 -1.98 -3.47 115.15 114.60 2jpf h HIS 7 Ca -0.47 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.23 2jpf h HIS 7 Cb 1.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 2jpf h HIS 7 CO 0.63 0.77 0.05 0.00 0.86 0.00 0.00 177.93 180.23 2jpf s ALA 8 N -2.44 3.39 -0.76 2.45 0.00 -1.26 -4.97 121.76 118.18 2jpf s ALA 8 Ca -0.18 -0.12 0.19 0.00 0.00 0.00 0.00 51.96 51.85 2jpf s ALA 8 Cb 0.02 -2.66 0.78 0.00 0.00 0.00 0.00 23.12 21.26 2jpf s ALA 8 CO 0.43 0.27 1.58 -0.35 0.00 0.00 0.00 175.76 177.68 2jpf n PRO 9 N -0.62 0.09 -2.24 0.00 -0.04 -1.26 -4.77 135.00 126.16 2jpf n PRO 9 Ca 0.02 0.33 -0.41 0.00 -0.04 0.00 0.00 63.50 63.41 2jpf n PRO 9 Cb 0.53 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2jpf n PRO 9 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jpf s SER 10 N -3.58 6.93 0.15 3.54 1.04 -1.26 -3.99 113.70 116.54 2jpf s SER 10 Ca 0.06 2.43 -0.17 0.00 0.48 0.00 0.00 55.95 58.74 2jpf s SER 10 Cb 0.09 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.68 2jpf s SER 10 CO 0.32 -0.47 1.15 1.57 0.98 0.00 0.00 173.24 176.80 2jpf n HIS 11 N 2.06 -0.12 -3.78 5.02 -0.00 -1.26 -4.66 115.22 112.47 2jpf n HIS 11 Ca 0.04 0.92 -0.10 0.00 0.46 0.00 0.00 57.72 59.04 2jpf n HIS 11 Cb 0.43 -0.69 -0.05 0.00 -0.12 0.00 0.00 29.99 29.56 2jpf n HIS 11 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jpf s ALA 12 N -5.57 -0.62 0.16 1.57 0.00 -1.26 -5.09 121.76 110.96 2jpf s ALA 12 Ca -0.10 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.15 2jpf s ALA 12 Cb 0.12 0.78 -0.11 0.00 0.00 0.00 0.00 23.12 23.92 2jpf s ALA 12 CO 0.50 -0.69 1.76 -0.80 0.00 0.00 0.00 175.76 176.53 2jpf s ASN 13 N -2.88 6.42 -1.27 0.00 -0.87 -1.26 -2.07 114.94 113.02 2jpf s ASN 13 Ca 0.09 2.79 -0.07 0.00 -1.57 0.00 0.00 52.86 54.10 2jpf s ASN 13 Cb 0.01 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.67 2jpf s ASN 13 CO -0.05 -0.97 1.10 0.18 -2.57 0.00 0.00 177.10 174.79 2jpf n LEU 14 N 4.77 -3.43 -3.49 0.60 4.32 -1.26 -4.99 117.00 113.52 2jpf n LEU 14 Ca 0.17 -0.52 -0.19 0.00 -0.02 0.00 0.00 56.01 55.44 2jpf n LEU 14 Cb 0.37 -2.92 -0.13 0.00 -1.62 0.00 0.00 43.42 39.12 2jpf n LEU 14 CO 0.64 0.59 -0.21 -0.62 -1.22 0.00 0.00 177.39 176.57 2jpf s ASP 15 N -3.45 1.61 -0.03 -1.43 2.15 -0.88 -5.14 116.67 109.51 2jpf s ASP 15 Ca 0.48 -0.40 -0.05 0.00 0.43 0.00 0.00 52.55 53.01 2jpf s ASP 15 Cb -0.21 0.32 0.01 0.00 -0.30 0.00 0.00 42.92 42.74 2jpf s ASP 15 CO 0.69 -0.35 0.12 -0.69 -0.17 0.00 0.00 175.17 174.78 2jpf s VAL 16 N 2.31 0.04 0.85 1.11 1.01 -1.26 -4.16 120.40 120.30 2jpf s VAL 16 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 2jpf s VAL 16 Cb -0.15 -0.28 0.16 0.00 0.00 0.00 0.00 36.38 36.11 2jpf s VAL 16 CO -0.17 -0.18 1.18 -0.54 0.00 0.00 0.00 175.10 175.39 2jpf s LYS 17 N -0.57 1.16 1.20 2.72 1.02 -1.26 -5.07 119.74 118.94 2jpf s LYS 17 Ca -0.07 -0.66 -0.17 0.00 0.02 0.00 0.00 55.97 55.10 2jpf s LYS 17 Cb -0.04 -2.05 0.28 0.00 -0.52 0.00 0.00 37.83 35.50 2jpf s LYS 17 CO 0.01 -1.96 1.05 -1.58 -0.92 0.00 0.00 175.35 171.95 2jpf s TRP 18 N -3.56 0.75 0.13 3.18 0.51 -1.26 -4.96 118.94 113.74 2jpf s TRP 18 Ca 0.70 0.73 0.02 0.00 -2.12 0.00 0.00 56.10 55.43 2jpf s TRP 18 Cb -0.05 -3.23 -0.12 0.00 -0.81 0.00 0.00 33.47 29.27 2jpf s TRP 18 CO 0.49 -3.93 1.30 -0.07 -0.51 0.00 0.00 176.95 174.23 2jpf h LEU 19 N -2.64 0.22 -0.78 2.99 -0.00 -1.89 -3.32 115.31 109.90 2jpf h LEU 19 Ca -0.50 -0.20 0.19 0.00 -0.00 0.00 0.00 57.88 57.37 2jpf h LEU 19 Cb 1.32 -0.07 -0.15 0.00 -0.00 0.00 0.00 40.66 41.77 2jpf h LEU 19 CO 0.41 1.08 -0.07 -0.67 -0.00 0.00 0.00 178.44 179.19 2jpf n ASP 20 N -3.55 -0.16 -3.58 -0.43 2.03 -1.26 -4.68 116.55 104.91 2jpf n ASP 20 Ca -0.04 1.33 -0.06 0.00 0.52 0.00 0.00 54.79 56.54 2jpf n ASP 20 Cb 0.89 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.82 2jpf n ASP 20 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jpf s GLY 21 N -4.20 -0.38 -0.22 0.27 0.00 -1.25 -5.06 107.32 96.48 2jpf s GLY 21 Ca -0.11 0.88 -0.07 0.00 0.00 0.00 0.00 44.72 45.42 2jpf s GLY 21 CO 0.61 0.28 0.46 1.08 0.00 0.00 0.00 173.10 175.53 2jpf s LEU 22 N -2.57 -0.74 -0.06 0.66 1.43 -1.26 -4.45 118.68 111.69 2jpf s LEU 22 Ca 0.08 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.14 2jpf s LEU 22 Cb -0.01 1.53 -0.09 0.00 0.03 0.00 0.00 46.19 47.66 2jpf s LEU 22 CO -0.05 -0.23 0.54 -0.09 0.23 0.00 0.00 176.35 176.75 2jpf h ARG 23 N 8.14 -0.31 -4.59 1.70 2.43 -2.02 -3.46 114.38 116.28 2jpf h ARG 23 Ca -0.16 0.02 -0.53 0.00 -0.81 0.00 0.00 59.98 58.50 2jpf h ARG 23 Cb 1.11 0.07 -0.34 0.00 -0.42 0.00 0.00 29.97 30.39 2jpf h ARG 23 CO 0.12 -0.09 -0.82 0.00 -1.51 0.00 0.00 179.97 177.67 2jpf s ALA 24 N -3.49 1.35 0.00 2.80 0.00 -1.26 -4.90 121.76 116.26 2jpf s ALA 24 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2jpf s ALA 24 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2jpf s ALA 24 CO 0.25 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2jpf n GLY 25 N 3.90 1.69 0.17 0.00 0.00 -1.26 -4.39 105.19 105.30 2jpf n GLY 25 Ca -0.22 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 2jpf n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jpf h SER 26 N 0.00 -0.68 -3.43 1.61 0.02 -1.88 -3.37 113.55 105.81 2jpf h SER 26 Ca 0.00 0.09 -0.39 0.00 -0.84 0.00 0.00 61.79 60.65 2jpf h SER 26 Cb 0.00 0.27 0.02 0.00 0.14 0.00 0.00 62.40 62.83 2jpf h SER 26 CO 0.00 -0.16 -0.54 0.23 -1.14 0.00 0.00 176.83 175.23 2jpf n MET 27 N -3.68 -2.94 -3.57 3.45 2.81 -1.26 -2.10 117.12 109.83 2jpf n MET 27 Ca -0.02 0.91 -0.22 0.00 -1.81 0.00 0.00 57.70 56.56 2jpf n MET 27 Cb 0.13 -5.58 0.08 0.00 -0.71 0.00 0.00 33.22 27.15 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jpf n ALA 28 N -2.62 -1.49 -2.74 3.04 0.00 -1.26 -5.01 120.51 110.43 2jpf n ALA 28 Ca -0.18 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 2jpf n ALA 28 Cb 0.65 -4.70 -0.08 0.00 0.00 0.00 0.00 19.45 15.32 2jpf n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jpf s LEU 29 N -7.07 2.35 -0.06 0.00 2.01 -0.89 -5.02 118.68 110.00 2jpf s LEU 29 Ca 0.44 -1.62 0.05 0.00 0.01 0.00 0.00 54.13 53.01 2jpf s LEU 29 Cb -0.19 -0.76 0.26 0.00 0.01 0.00 0.00 46.19 45.50 2jpf s LEU 29 CO 0.73 -0.83 0.97 0.00 1.01 0.00 0.00 176.35 178.23 2jpf n GLN 30 N -1.26 2.12 0.28 1.70 3.00 -1.26 -4.19 117.38 117.77 2jpf n GLN 30 Ca -0.18 -1.00 0.19 0.00 -0.01 0.00 0.00 57.00 56.01 2jpf n GLN 30 Cb 0.67 -1.63 1.01 0.00 0.00 0.00 0.00 30.24 30.29 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2jpf h GLY 31 N 4.86 0.00 0.52 1.08 0.00 -1.94 0.53 103.07 108.12 2jpf h GLY 31 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2jpf h GLY 31 CO 0.13 0.00 -0.21 -1.80 0.00 0.00 0.00 176.54 174.66 2jpf h ASP 32 N 0.00 -0.49 1.08 0.19 3.58 -1.94 -3.23 116.42 115.61 2jpf h ASP 32 Ca 0.00 -0.07 -0.17 0.00 0.42 0.00 0.00 57.03 57.21 2jpf h ASP 32 Cb 0.03 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2jpf h ASP 32 CO 0.00 -0.06 -0.96 -0.37 -2.88 0.00 0.00 179.24 174.97 2jpf h VAL 33 N -1.06 1.10 -0.90 2.25 -1.51 -1.85 -3.31 116.25 110.97 2jpf h VAL 33 Ca -0.06 -2.66 0.18 0.00 -1.23 0.00 0.00 66.70 62.93 2jpf h VAL 33 Cb 0.53 2.51 -0.07 0.00 -2.13 0.00 0.00 31.29 32.13 2jpf h VAL 33 CO 0.10 0.63 0.59 0.50 -1.23 0.00 0.00 177.57 178.15 2jpf h LYS 34 N 0.00 0.51 0.00 5.19 3.64 -0.05 0.27 116.57 126.13 2jpf h LYS 34 Ca -0.06 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2jpf h LYS 34 Cb 1.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 2jpf h LYS 34 CO 0.09 0.34 -0.43 -0.39 -2.27 0.00 0.00 179.45 176.78 2jpf h VAL 35 N 0.53 0.24 -0.81 2.00 -1.51 -1.64 -3.35 116.25 111.70 2jpf h VAL 35 Ca 0.47 -1.36 0.16 0.00 -1.23 0.00 0.00 66.70 64.74 2jpf h VAL 35 Cb 0.99 2.00 -0.15 0.00 -2.13 0.00 0.00 31.29 31.99 2jpf h VAL 35 CO -0.20 0.14 -0.24 -0.25 -1.23 0.00 0.00 177.57 175.78 2jpf h TRP 36 N 0.00 -0.56 0.26 5.19 2.91 -0.55 0.61 115.95 123.82 2jpf h TRP 36 Ca -0.01 0.08 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 2jpf h TRP 36 Cb 1.13 0.37 0.00 0.00 -0.51 0.00 0.00 29.16 30.16 2jpf h TRP 36 CO 0.00 -0.36 -0.13 0.00 -1.03 0.00 0.00 178.44 176.92 2jpf h MET 37 N -0.02 -0.34 -0.16 2.65 -0.00 -1.70 -2.51 114.93 112.85 2jpf h MET 37 Ca 0.37 0.02 0.05 0.00 -0.00 0.00 0.00 59.70 60.14 2jpf h MET 37 Cb 0.60 0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.27 2jpf h MET 37 CO -0.84 -0.12 0.18 -0.56 -0.00 0.00 0.00 176.91 175.57 2jpf h GLN 38 N -0.52 0.00 -0.19 -0.10 -0.00 -1.27 0.40 115.11 113.44 2jpf h GLN 38 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 2jpf h GLN 38 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.86 2jpf h GLN 38 CO 0.06 0.00 -0.13 -0.91 -0.00 0.00 0.00 178.83 177.85 2jpf h ASN 39 N 0.00 0.45 1.11 0.06 2.35 0.58 -3.19 115.58 116.94 2jpf h ASN 39 Ca 0.08 -0.44 -0.17 0.00 -0.55 0.00 0.00 56.30 55.21 2jpf h ASN 39 Cb 0.43 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2jpf h ASN 39 CO -0.00 0.79 -0.92 -0.07 -1.65 0.00 0.00 177.43 175.58 2jpf h LEU 40 N 0.10 0.00 -0.70 1.61 3.38 -0.99 -3.01 115.31 115.71 2jpf h LEU 40 Ca 0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.13 2jpf h LEU 40 Cb 0.64 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2jpf h LEU 40 CO 0.04 0.75 0.26 -0.08 0.09 0.00 0.00 178.44 179.49 2jpf h GLU 41 N 0.00 0.40 0.03 1.13 4.81 -0.25 0.69 114.58 121.39 2jpf h GLU 41 Ca -0.05 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 2jpf h GLU 41 Cb 1.62 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.91 2jpf h GLU 41 CO 0.09 0.26 -0.47 0.22 -0.73 0.00 0.00 179.01 178.39 2jpf h ASP 42 N 0.41 0.11 0.58 1.04 1.82 -1.65 -3.30 116.42 115.43 2jpf h ASP 42 Ca 0.38 -0.90 -0.02 0.00 -0.39 0.00 0.00 57.03 56.10 2jpf h ASP 42 Cb 0.54 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 2jpf h ASP 42 CO -0.38 1.20 -0.49 0.25 -1.61 0.00 0.00 179.24 178.21 2jpf h LEU 43 N -0.84 -1.31 -0.99 2.28 7.12 -1.36 -2.27 115.31 117.94 2jpf h LEU 43 Ca -0.11 0.10 0.35 0.00 0.13 0.00 0.00 57.88 58.35 2jpf h LEU 43 Cb 1.22 0.42 -0.16 0.00 -0.53 0.00 0.00 40.66 41.60 2jpf h LEU 43 CO -0.01 -0.68 0.50 -0.74 -0.13 0.00 0.00 178.44 177.38 2jpf h HIS 44 N -1.05 0.79 -1.07 1.25 2.76 0.28 0.46 115.15 118.58 2jpf h HIS 44 Ca -0.07 0.04 0.36 0.00 -2.20 0.00 0.00 60.37 58.50 2jpf h HIS 44 Cb 0.89 -0.18 -0.15 0.00 1.55 0.00 0.00 27.41 29.52 2jpf h HIS 44 CO -0.20 -0.31 0.63 1.15 -1.30 0.00 0.00 177.93 177.89 2jpf h THR 45 N 0.17 0.23 0.00 6.26 2.02 -1.48 -3.09 112.91 117.02 2jpf h THR 45 Ca 0.76 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.86 2jpf h THR 45 Cb 1.83 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2jpf h THR 45 CO -0.69 0.04 -0.05 0.54 0.37 0.00 0.00 175.52 175.73 2jpf n ARG 46 N -4.99 0.04 -4.17 6.66 1.74 0.16 -5.00 116.66 111.10 2jpf n ARG 46 Ca 0.34 0.23 -0.19 0.00 -0.77 0.00 0.00 57.85 57.45 2jpf n ARG 46 Cb 1.12 -0.79 -0.16 0.00 -1.02 0.00 0.00 32.46 31.61 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jpf s ARG 47 N -1.12 0.77 -0.02 5.56 6.06 -0.97 -5.06 118.95 124.17 2jpf s ARG 47 Ca -0.02 -0.11 -0.25 0.00 -2.50 0.00 0.00 55.73 52.86 2jpf s ARG 47 Cb 0.00 -0.78 -0.19 0.00 0.06 0.00 0.00 34.95 34.04 2jpf s ARG 47 CO 0.02 -0.06 1.20 -1.00 -2.50 0.00 0.00 175.30 172.96 2jpf h PRO 48 N 7.05 -0.09 -0.86 5.12 0.13 -1.83 -2.60 132.00 138.92 2jpf h PRO 48 Ca -0.38 0.01 0.25 0.00 -0.87 0.00 0.00 66.00 65.00 2jpf h PRO 48 Cb 1.15 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2jpf h PRO 48 CO 0.48 0.36 0.80 0.22 -0.23 0.00 0.00 178.00 179.63 2jpf h ASP 49 N -0.58 0.00 0.84 1.44 3.58 -1.97 1.32 116.42 121.04 2jpf h ASP 49 Ca -0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 2jpf h ASP 49 Cb 0.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2jpf h ASP 49 CO 0.02 0.00 -1.21 -0.62 -2.88 0.00 0.00 179.24 174.55 2jpf n GLU 50 N -3.74 0.61 -0.35 0.28 1.02 -1.17 -4.13 120.64 113.16 2jpf n GLU 50 Ca 0.18 0.14 0.25 0.00 -0.02 0.00 0.00 57.16 57.71 2jpf n GLU 50 Cb 1.09 -1.81 0.50 0.00 -0.02 0.00 0.00 31.44 31.20 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2jpf h PHE 51 N 0.00 0.81 0.00 -0.32 -5.15 0.21 1.37 116.94 113.86 2jpf h PHE 51 Ca -0.06 0.03 -0.05 0.00 -0.20 0.00 0.00 57.97 57.69 2jpf h PHE 51 Cb 1.22 -0.22 -0.01 0.00 0.22 0.00 0.00 35.95 37.16 2jpf h PHE 51 CO 0.00 -0.09 -0.22 1.79 -2.00 0.00 0.00 178.31 177.79 2jpf h THR 52 N 0.34 0.41 0.00 0.88 1.35 -1.72 -3.10 112.91 111.07 2jpf h THR 52 Ca 0.70 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2jpf h THR 52 Cb 1.72 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 2jpf h THR 52 CO -0.48 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 175.01 2jpf h ALA 53 N 1.78 1.00 0.11 6.62 0.00 0.16 0.38 119.26 129.32 2jpf h ALA 53 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jpf h ALA 53 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jpf h ALA 53 CO 0.03 0.00 -0.05 -0.09 0.00 0.00 0.00 179.25 179.13 2jpf h ARG 54 N 0.00 -0.15 0.00 0.00 9.65 -1.42 -3.09 114.38 119.36 2jpf h ARG 54 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2jpf h ARG 54 Cb 0.38 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 2jpf h ARG 54 CO 0.00 -0.10 0.00 1.37 2.80 0.00 0.00 179.97 184.04 2jpf h LEU 55 N -0.38 0.00 -0.95 3.80 -0.00 -1.70 -2.65 115.31 113.42 2jpf h LEU 55 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.76 2jpf h LEU 55 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2jpf h LEU 55 CO 0.03 0.00 -0.45 -0.61 -0.00 0.00 0.00 178.44 177.40 2jpf h GLN 56 N 0.00 0.16 -0.23 0.17 4.15 -1.01 0.17 115.11 118.52 2jpf h GLN 56 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2jpf h GLN 56 Cb 0.42 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2jpf h GLN 56 CO 0.00 0.59 0.11 1.96 -1.93 0.00 0.00 178.83 179.56 2jpf h GLN 57 N 0.13 0.33 0.00 1.69 4.20 -1.38 -2.06 115.11 118.02 2jpf h GLN 57 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2jpf h GLN 57 Cb 0.85 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2jpf h GLN 57 CO 0.07 0.33 -0.14 0.66 -0.67 0.00 0.00 178.83 179.08 2jpf h SER 58 N 0.24 0.00 -0.84 1.46 4.64 -1.67 -3.34 113.55 114.04 2jpf h SER 58 Ca 0.08 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.64 2jpf h SER 58 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2jpf h SER 58 CO -0.01 0.43 1.04 0.74 -0.87 0.00 0.00 176.83 178.16 2jpf h THR 59 N -0.73 0.07 -0.84 2.95 2.02 -0.80 0.99 112.91 116.57 2jpf h THR 59 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 2jpf h THR 59 Cb 0.14 0.15 -0.13 0.00 -1.74 0.00 0.00 68.15 66.56 2jpf h THR 59 CO 0.00 0.00 0.21 -0.78 0.37 0.00 0.00 175.52 175.32 2jpf h ASP 60 N 0.00 -0.02 -0.80 4.18 3.58 -1.49 0.34 116.42 122.20 2jpf h ASP 60 Ca 0.40 0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.99 2jpf h ASP 60 Cb 2.47 0.26 -0.04 0.00 1.72 0.00 0.00 39.33 43.74 2jpf h ASP 60 CO -0.00 -0.13 0.33 0.00 -2.88 0.00 0.00 179.24 176.56 2jpf h ALA 61 N 1.74 1.04 -0.67 -0.78 0.00 -1.03 0.16 119.26 119.72 2jpf h ALA 61 Ca 0.51 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2jpf h ALA 61 Cb 0.99 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2jpf h ALA 61 CO -0.63 0.65 0.18 1.25 0.00 0.00 0.00 179.25 180.71 2jpf h LEU 62 N 1.16 1.01 -0.02 0.00 6.46 -0.56 0.39 115.31 123.75 2jpf h LEU 62 Ca 0.27 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2jpf h LEU 62 Cb 0.20 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.86 2jpf h LEU 62 CO -0.02 0.97 -0.07 0.22 -0.62 0.00 0.00 178.44 178.91 2jpf h TYR 63 N 0.99 0.12 -0.49 1.25 3.20 -0.75 -3.08 116.97 118.21 2jpf h TYR 63 Ca 0.21 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2jpf h TYR 63 Cb 0.35 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2jpf h TYR 63 CO 0.03 0.70 0.15 1.03 -1.64 0.00 0.00 178.16 178.43 2jpf h SER 64 N -0.50 0.71 -0.99 -2.11 0.87 -0.65 -0.89 113.55 109.98 2jpf h SER 64 Ca -0.00 -0.21 0.17 0.00 -1.23 0.00 0.00 61.79 60.52 2jpf h SER 64 Cb 0.71 -0.19 -0.10 0.00 -0.44 0.00 0.00 62.40 62.38 2jpf h SER 64 CO 0.02 0.73 0.62 -0.74 -0.53 0.00 0.00 176.83 176.92 2jpf h HIS 65 N 0.65 1.04 0.12 2.24 -0.00 -0.29 0.64 115.15 119.56 2jpf h HIS 65 Ca 0.16 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 2jpf h HIS 65 Cb 0.28 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 2jpf h HIS 65 CO 0.01 0.29 -0.06 1.25 -0.00 0.00 0.00 177.93 179.43 2jpf h LEU 66 N 0.79 -0.13 -1.67 0.26 5.85 -1.39 0.18 115.31 119.20 2jpf h LEU 66 Ca 0.55 -0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.44 2jpf h LEU 66 Cb 0.81 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 2jpf h LEU 66 CO -0.33 0.37 0.58 -0.08 -0.34 0.00 0.00 178.44 178.64 2jpf h GLU 67 N -1.04 0.27 0.00 1.25 4.81 -0.96 1.61 114.58 120.53 2jpf h GLU 67 Ca -0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2jpf h GLU 67 Cb 0.16 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2jpf h GLU 67 CO 0.03 0.18 -0.24 0.00 -0.73 0.00 0.00 179.01 178.25 2jpf h ALA 68 N 1.61 0.01 0.39 2.92 0.00 0.20 -3.00 119.26 121.38 2jpf h ALA 68 Ca 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jpf h ALA 68 Cb 1.25 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2jpf h ALA 68 CO -0.12 0.21 -0.19 0.37 0.00 0.00 0.00 179.25 179.53 2jpf h GLN 69 N -1.00 -0.50 -0.24 0.00 5.75 -0.37 -2.89 115.11 115.86 2jpf h GLN 69 Ca -0.02 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 2jpf h GLN 69 Cb 0.30 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2jpf h GLN 69 CO -0.01 -0.22 0.17 2.35 -2.65 0.00 0.00 178.83 178.47 2jpf h TRP 70 N -0.73 0.07 -0.98 3.99 2.91 0.23 -2.05 115.95 119.39 2jpf h TRP 70 Ca -0.05 0.00 0.25 0.00 1.13 0.00 0.00 58.89 60.22 2jpf h TRP 70 Cb 0.51 -0.02 -0.13 0.00 -0.51 0.00 0.00 29.16 29.00 2jpf h TRP 70 CO -0.00 0.04 0.54 0.00 -1.03 0.00 0.00 178.44 177.99 2jpf h ALA 71 N 1.88 1.73 -1.10 2.65 0.00 -1.36 0.24 119.26 123.31 2jpf h ALA 71 Ca 0.11 0.15 0.32 0.00 0.00 0.00 0.00 54.91 55.48 2jpf h ALA 71 Cb 0.34 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jpf h ALA 71 CO -0.01 -0.34 1.10 0.87 0.00 0.00 0.00 179.25 180.88 2jpf h LYS 72 N 0.49 0.00 0.78 0.00 1.79 -1.45 0.13 116.57 118.31 2jpf h LYS 72 Ca 0.64 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 59.07 2jpf h LYS 72 Cb 1.26 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.92 2jpf h LYS 72 CO -0.51 0.00 -0.37 1.96 -1.08 0.00 0.00 179.45 179.44 2jpf h GLN 73 N 0.00 -1.01 0.00 3.15 1.08 -0.74 -3.45 115.11 114.14 2jpf h GLN 73 Ca 0.52 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.79 2jpf h GLN 73 Cb 2.72 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 30.38 2jpf h GLN 73 CO -0.01 -0.67 -0.19 0.72 -0.95 0.00 0.00 178.83 177.73 2jpf n HIS 74 N -5.39 -0.34 0.00 2.96 8.25 0.33 -5.03 115.22 116.01 2jpf n HIS 74 Ca -0.13 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2jpf n HIS 74 Cb 0.41 0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.92 2jpf n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpf n GLY 75 N 1.86 3.04 0.08 -1.41 0.00 -0.44 -4.80 105.19 103.52 2jpf n GLY 75 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jpf n GLY 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jpf h THR 76 N 0.00 0.71 0.00 2.61 1.35 -1.96 -3.38 112.91 112.24 2jpf h THR 76 Ca 0.00 -1.77 -0.07 0.00 -0.55 0.00 0.00 66.41 64.02 2jpf h THR 76 Cb 0.00 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2jpf h THR 76 CO 0.00 0.24 -0.35 1.55 -0.25 0.00 0.00 175.52 176.71 2jpf h PRO 77 N -1.00 0.00 -6.41 4.72 0.13 -1.99 -3.43 132.00 124.02 2jpf h PRO 77 Ca -0.17 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.42 2jpf h PRO 77 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2jpf h PRO 77 CO -0.10 0.35 0.84 -1.25 -0.23 0.00 0.00 178.00 177.60 2jpf s PRO 78 N -3.85 4.28 0.01 1.56 0.04 -1.26 -4.88 135.00 130.89 2jpf s PRO 78 Ca -0.01 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 2jpf s PRO 78 Cb 0.12 -3.53 0.02 0.00 0.04 0.00 0.00 34.50 31.15 2jpf s PRO 78 CO 0.68 -0.57 0.32 0.99 0.04 0.00 0.00 177.00 178.46 2jpf s THR 79 N 2.25 0.07 0.57 1.26 2.01 -1.26 -4.90 115.64 115.64 2jpf s THR 79 Ca 0.65 -0.55 0.34 0.00 0.31 0.00 0.00 61.69 62.44 2jpf s THR 79 Cb -0.33 -0.78 0.50 0.00 0.01 0.00 0.00 72.50 71.89 2jpf s THR 79 CO 0.28 -0.30 1.69 0.00 -0.69 0.00 0.00 174.62 175.59 2jpf h ALA 80 N 3.51 2.93 0.00 7.40 0.00 -1.97 1.46 119.26 132.60 2jpf h ALA 80 Ca -0.31 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 2jpf h ALA 80 Cb 1.19 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2jpf h ALA 80 CO 0.43 -1.46 -0.90 0.77 0.00 0.00 0.00 179.25 178.10 2jpf h SER 81 N 0.00 0.00 0.00 0.00 0.02 -1.97 -3.20 113.55 108.40 2jpf h SER 81 Ca 0.50 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.24 2jpf h SER 81 Cb 2.32 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.83 2jpf h SER 81 CO -0.01 0.90 -1.23 0.47 -1.14 0.00 0.00 176.83 175.82 2jpf n ASP 82 N -3.48 1.86 0.22 3.07 9.92 0.45 -4.09 116.55 124.50 2jpf n ASP 82 Ca -0.00 0.45 0.15 0.00 -0.53 0.00 0.00 54.79 54.86 2jpf n ASP 82 Cb 0.85 -0.94 0.62 0.00 -0.64 0.00 0.00 41.12 41.01 2jpf n ASP 82 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2jpf h VAL 83 N -1.00 0.09 -0.01 2.53 2.07 -0.10 2.21 116.25 122.04 2jpf h VAL 83 Ca -0.32 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 2jpf h VAL 83 Cb 1.20 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2jpf h VAL 83 CO -0.19 0.00 -0.67 -0.37 0.02 0.00 0.00 177.57 176.36 2jpf h VAL 84 N 0.00 1.46 0.00 2.57 -1.51 -1.70 -3.33 116.25 113.74 2jpf h VAL 84 Ca 0.10 -2.23 0.00 0.00 -1.23 0.00 0.00 66.70 63.33 2jpf h VAL 84 Cb 1.23 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 32.58 2jpf h VAL 84 CO -0.00 0.64 0.00 0.61 -1.23 0.00 0.00 177.57 177.59 2jpf n GLY 85 N 0.39 -0.76 0.19 5.19 0.00 0.26 -4.30 105.19 106.16 2jpf n GLY 85 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2jpf n GLY 85 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2jpf h MET 86 N 0.00 0.69 0.00 1.61 -1.53 0.31 -3.43 114.93 112.59 2jpf h MET 86 Ca 0.00 -0.75 0.00 0.00 -3.44 0.00 0.00 59.70 55.51 2jpf h MET 86 Cb 0.15 0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.41 2jpf h MET 86 CO 0.00 1.33 0.00 -0.35 0.14 0.00 0.00 176.91 178.03 2jpf n PRO 87 N -3.87 -0.24 -0.02 0.39 -0.04 -1.25 -4.95 135.00 125.01 2jpf n PRO 87 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 2jpf n PRO 87 Cb 0.88 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.30 2jpf n PRO 87 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2jpf h GLN 88 N 0.00 -0.07 0.00 0.54 -0.00 -1.94 -3.26 115.11 110.38 2jpf h GLN 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jpf h GLN 88 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 2jpf h GLN 88 CO 0.00 0.19 0.81 0.11 -0.00 0.00 0.00 178.83 179.94 2jpf h TRP 89 N -1.00 0.00 -0.91 0.06 0.09 -1.95 -2.10 115.95 110.15 2jpf h TRP 89 Ca -0.01 0.00 0.16 0.00 0.09 0.00 0.00 58.89 59.13 2jpf h TRP 89 Cb 0.30 0.00 -0.16 0.00 0.08 0.00 0.00 29.16 29.38 2jpf h TRP 89 CO 0.07 0.00 -0.30 0.94 0.09 0.00 0.00 178.44 179.23 2jpf n GLN 90 N -2.34 -0.16 -0.06 0.12 7.27 -1.23 0.49 117.38 121.47 2jpf n GLN 90 Ca -0.00 1.40 -0.12 0.00 0.07 0.00 0.00 57.00 58.35 2jpf n GLN 90 Cb 0.82 -2.09 -0.11 0.00 2.41 0.00 0.00 30.24 31.27 2jpf n GLN 90 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2jpf h GLU 91 N 0.00 -0.01 -0.25 3.69 5.08 -1.66 -3.30 114.58 118.14 2jpf h GLU 91 Ca 0.36 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2jpf h GLU 91 Cb 0.59 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2jpf h GLU 91 CO -0.91 0.82 -0.37 1.88 -1.00 0.00 0.00 179.01 179.43 2jpf h TYR 92 N -0.98 -1.13 -1.32 4.33 0.05 -1.40 0.83 116.97 117.34 2jpf h TYR 92 Ca -0.00 0.05 0.41 0.00 0.05 0.00 0.00 58.73 59.24 2jpf h TYR 92 Cb 0.83 0.53 -0.11 0.00 1.01 0.00 0.00 36.73 38.99 2jpf h TYR 92 CO 0.23 -0.33 0.87 0.00 -1.05 0.00 0.00 178.16 177.88 2jpf h THR 93 N -0.28 0.20 0.03 -2.88 1.03 -0.13 1.12 112.91 111.99 2jpf h THR 93 Ca 0.04 -0.04 -0.25 0.00 -0.01 0.00 0.00 66.41 66.15 2jpf h THR 93 Cb 0.40 0.07 -0.03 0.00 -1.07 0.00 0.00 68.15 67.52 2jpf h THR 93 CO -0.38 0.02 -1.30 0.00 -0.01 0.00 0.00 175.52 173.84 2jpf h ALA 94 N 1.53 0.44 -0.01 0.00 0.00 -0.72 -3.28 119.26 117.22 2jpf h ALA 94 Ca 0.77 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jpf h ALA 94 Cb 2.47 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 20.37 2jpf h ALA 94 CO -0.32 1.31 0.02 0.52 0.00 0.00 0.00 179.25 180.78 2jpf h MET 95 N 0.02 0.00 0.43 0.00 2.07 0.79 0.55 114.93 118.79 2jpf h MET 95 Ca -0.13 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.47 2jpf h MET 95 Cb 1.89 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.63 2jpf h MET 95 CO 0.12 0.00 -0.21 -0.07 1.07 0.00 0.00 176.91 177.83 2jpf h LEU 96 N 0.00 -0.49 0.00 1.22 3.38 -1.49 1.22 115.31 119.15 2jpf h LEU 96 Ca 0.01 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2jpf h LEU 96 Cb 0.04 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2jpf h LEU 96 CO -0.00 -0.13 -0.58 0.08 0.09 0.00 0.00 178.44 177.90 2jpf h ARG 97 N -0.91 0.00 0.00 1.13 0.11 -1.65 -2.44 114.38 110.61 2jpf h ARG 97 Ca -0.06 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 2jpf h ARG 97 Cb 0.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 2jpf h ARG 97 CO 0.10 0.50 -0.56 1.49 0.10 0.00 0.00 179.97 181.60 2jpf h GLU 98 N 0.00 0.00 -0.72 0.08 4.81 0.05 -3.35 114.58 115.45 2jpf h GLU 98 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jpf h GLU 98 Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.79 2jpf h GLU 98 CO 0.07 0.50 0.00 -2.13 -0.73 0.00 0.00 179.01 176.72 2jpf n ARG 99 N -4.59 1.67 -1.56 1.92 0.00 0.42 -4.88 116.66 109.65 2jpf n ARG 99 Ca -0.14 -0.61 -0.45 0.00 -0.00 0.00 0.00 57.85 56.65 2jpf n ARG 99 Cb 0.39 -1.52 -0.04 0.00 0.00 0.00 0.00 32.46 31.29 2jpf n ARG 99 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2jpf n PHE 100 N 0.08 1.85 -0.02 -0.14 -1.74 -0.92 -4.75 117.46 111.81 2jpf n PHE 100 Ca 0.05 -0.01 -0.03 0.00 -0.56 0.00 0.00 57.45 56.91 2jpf n PHE 100 Cb 0.36 -2.67 -0.03 0.00 1.52 0.00 0.00 39.48 38.66 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jpf n ALA 101 N 11.33 1.90 -2.21 1.98 0.00 -1.26 -4.94 120.51 127.31 2jpf n ALA 101 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 2jpf n ALA 101 Cb 0.39 0.26 0.01 0.00 0.00 0.00 0.00 19.45 20.11 2jpf n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jpf n GLY 102 N 2.97 -0.41 0.13 0.00 0.00 -1.26 -5.02 105.19 101.61 2jpf n GLY 102 Ca -0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2jpf n GLY 102 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jpf n LEU 103 N -0.18 2.45 -0.29 0.99 -0.00 -1.26 -4.32 117.00 114.38 2jpf n LEU 103 Ca -0.04 0.20 0.16 0.00 -0.00 0.00 0.00 56.01 56.33 2jpf n LEU 103 Cb 0.49 -1.00 0.31 0.00 -0.00 0.00 0.00 43.42 43.21 2jpf n LEU 103 CO -0.03 0.71 0.73 0.47 -0.00 0.00 0.00 177.39 179.27 2jpf n ASP 104 N -3.75 -0.01 -0.32 1.45 9.92 -1.26 0.86 116.55 123.43 2jpf n ASP 104 Ca -0.38 1.45 0.14 0.00 -0.53 0.00 0.00 54.79 55.47 2jpf n ASP 104 Cb 0.93 -0.57 0.29 0.00 -0.64 0.00 0.00 41.12 41.13 2jpf n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jpf h THR 105 N 0.00 0.12 -0.02 -3.53 1.03 -2.00 -3.46 112.91 105.04 2jpf h THR 105 Ca 0.57 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.95 2jpf h THR 105 Cb 1.26 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 2jpf h THR 105 CO -0.77 0.01 0.00 2.30 -0.01 0.00 0.00 175.52 177.05