#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 0.30 -6.11 1.64 4.20 -2.13 -3.47 115.11 109.54 2jpf h GLN 2 Ca 0.00 -0.23 -0.44 0.00 0.06 0.00 0.00 58.65 58.04 2jpf h GLN 2 Cb 0.00 0.04 0.04 0.00 0.30 0.00 0.00 27.48 27.86 2jpf h GLN 2 CO 0.00 0.86 -0.75 0.94 -0.67 0.00 0.00 178.83 179.21 2jpf n GLN 3 N -4.48 -6.12 -2.52 1.46 -0.06 -1.26 -4.89 117.38 99.51 2jpf n GLN 3 Ca -0.08 0.68 -0.42 0.00 -2.00 0.00 0.00 57.00 55.17 2jpf n GLN 3 Cb 0.46 -5.56 -0.02 0.00 -4.06 0.00 0.00 30.24 21.06 2jpf n GLN 3 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 2jpf s LEU 4 N -7.12 3.48 0.01 1.69 0.05 -1.26 -4.98 118.68 110.54 2jpf s LEU 4 Ca 0.48 0.26 -0.02 0.00 0.05 0.00 0.00 54.13 54.90 2jpf s LEU 4 Cb -0.23 -3.23 -0.01 0.00 -2.05 0.00 0.00 46.19 40.67 2jpf s LEU 4 CO 0.80 -1.50 0.02 0.00 -0.55 0.00 0.00 176.35 175.12 2jpf s GLN 5 N 5.01 0.29 0.40 1.48 -2.07 -1.26 -5.14 119.66 118.37 2jpf s GLN 5 Ca 0.47 -0.42 -0.26 0.00 -1.82 0.00 0.00 55.36 53.33 2jpf s GLN 5 Cb -0.09 0.11 -0.09 0.00 -1.09 0.00 0.00 33.01 31.86 2jpf s GLN 5 CO 0.27 -0.05 1.34 -1.21 -1.32 0.00 0.00 175.29 174.31 2jpf s GLU 6 N -1.13 4.00 0.17 9.60 2.02 -1.26 -4.92 118.70 127.18 2jpf s GLU 6 Ca -0.12 2.24 -0.16 0.00 0.02 0.00 0.00 54.97 56.95 2jpf s GLU 6 Cb -0.07 -2.81 0.13 0.00 0.10 0.00 0.00 34.13 31.48 2jpf s GLU 6 CO -0.00 -0.50 1.68 0.45 0.02 0.00 0.00 175.26 176.91 2jpf h HIS 7 N 2.76 -0.08 -3.66 1.61 3.86 -2.01 -3.43 115.15 114.19 2jpf h HIS 7 Ca -0.50 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 58.61 2jpf h HIS 7 Cb 1.25 0.10 -0.20 0.00 1.06 0.00 0.00 27.41 29.62 2jpf h HIS 7 CO 0.53 -0.12 -0.52 0.00 0.86 0.00 0.00 177.93 178.68 2jpf s ALA 8 N -6.19 -0.20 -0.06 2.45 0.00 -1.26 -5.04 121.76 111.47 2jpf s ALA 8 Ca -0.14 -0.32 0.31 0.00 0.00 0.00 0.00 51.96 51.81 2jpf s ALA 8 Cb 0.15 0.16 1.28 0.00 0.00 0.00 0.00 23.12 24.71 2jpf s ALA 8 CO 0.71 -0.24 1.91 -1.00 0.00 0.00 0.00 175.76 177.14 2jpf h PRO 9 N 4.10 0.00 -3.37 0.00 0.13 -2.03 -3.42 132.00 127.41 2jpf h PRO 9 Ca -0.31 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.51 2jpf h PRO 9 Cb 1.19 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2jpf h PRO 9 CO 0.44 0.00 -0.70 -1.12 -0.23 0.00 0.00 178.00 176.39 2jpf s SER 10 N -5.22 0.41 -0.16 1.44 0.01 -1.26 -5.06 113.70 103.86 2jpf s SER 10 Ca 0.02 0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.28 2jpf s SER 10 Cb 0.09 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.24 2jpf s SER 10 CO 0.49 -0.18 -0.06 -0.74 0.41 0.00 0.00 173.24 173.16 2jpf h HIS 11 N 7.73 0.00 -3.25 2.43 2.76 -2.04 -3.44 115.15 119.34 2jpf h HIS 11 Ca -0.32 0.00 -0.74 0.00 -2.20 0.00 0.00 60.37 57.10 2jpf h HIS 11 Cb 1.12 0.00 -0.23 0.00 1.55 0.00 0.00 27.41 29.85 2jpf h HIS 11 CO 0.48 0.44 -0.30 0.00 -1.30 0.00 0.00 177.93 177.25 2jpf s ALA 12 N -2.62 3.58 -0.62 5.26 0.00 -1.26 -5.01 121.76 121.10 2jpf s ALA 12 Ca -0.19 -2.24 -0.29 0.00 0.00 0.00 0.00 51.96 49.24 2jpf s ALA 12 Cb 0.03 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 19.91 2jpf s ALA 12 CO 0.32 -1.81 2.46 0.09 0.00 0.00 0.00 175.76 176.82 2jpf n ASN 13 N 5.21 1.67 -2.77 0.00 3.02 -1.26 -1.24 115.26 119.89 2jpf n ASN 13 Ca -0.13 -0.11 -0.15 0.00 -0.03 0.00 0.00 54.58 54.16 2jpf n ASN 13 Cb 0.43 -1.32 -0.00 0.00 -0.61 0.00 0.00 39.78 38.27 2jpf n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jpf n LEU 14 N 13.05 -1.17 -2.42 3.41 4.77 -1.26 -1.76 117.00 131.61 2jpf n LEU 14 Ca 0.47 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 56.37 2jpf n LEU 14 Cb 0.33 -2.02 -0.02 0.00 -2.33 0.00 0.00 43.42 39.38 2jpf n LEU 14 CO 0.79 -0.01 -0.04 -0.90 -1.33 0.00 0.00 177.39 175.90 2jpf n ASP 15 N -1.94 -0.85 -4.90 -1.43 5.68 -0.38 -4.83 116.55 107.91 2jpf n ASP 15 Ca -0.08 -0.11 -0.29 0.00 -0.50 0.00 0.00 54.79 53.81 2jpf n ASP 15 Cb 0.58 -0.79 0.08 0.00 -1.14 0.00 0.00 41.12 39.85 2jpf n ASP 15 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2jpf s VAL 16 N -1.73 2.17 0.52 2.12 -7.23 -0.72 -5.10 120.40 110.43 2jpf s VAL 16 Ca 0.21 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.41 2jpf s VAL 16 Cb -0.12 -3.05 -0.00 0.00 0.56 0.00 0.00 36.38 33.77 2jpf s VAL 16 CO 0.25 -0.06 0.08 -0.54 -0.31 0.00 0.00 175.10 174.52 2jpf s LYS 17 N -5.52 2.21 1.11 4.82 1.02 -1.26 -4.95 119.74 117.17 2jpf s LYS 17 Ca 0.61 -2.34 -0.17 0.00 0.02 0.00 0.00 55.97 54.09 2jpf s LYS 17 Cb -0.11 -1.63 0.16 0.00 -0.52 0.00 0.00 37.83 35.73 2jpf s LYS 17 CO 0.49 -0.42 0.22 0.91 -0.92 0.00 0.00 175.35 175.63 2jpf n TRP 18 N -1.37 -2.04 -0.34 3.18 7.02 -1.26 -4.78 117.44 117.85 2jpf n TRP 18 Ca -0.16 -0.02 0.21 0.00 -1.02 0.00 0.00 57.50 56.50 2jpf n TRP 18 Cb 0.66 -1.46 0.44 0.00 -2.42 0.00 0.00 31.31 28.53 2jpf n TRP 18 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2jpf h LEU 19 N -2.50 0.57 -8.38 -0.99 7.12 -1.91 -3.37 115.31 105.85 2jpf h LEU 19 Ca -0.40 0.14 -0.66 0.00 0.13 0.00 0.00 57.88 57.08 2jpf h LEU 19 Cb 1.11 0.05 -0.30 0.00 -0.53 0.00 0.00 40.66 41.00 2jpf h LEU 19 CO 0.28 0.04 -0.80 -0.62 -0.13 0.00 0.00 178.44 177.20 2jpf s ASP 20 N -5.11 3.68 0.00 1.25 -1.08 -1.26 -4.71 116.67 109.43 2jpf s ASP 20 Ca -0.10 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 2jpf s ASP 20 Cb 0.28 -1.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.17 2jpf s ASP 20 CO 0.80 0.09 0.00 0.61 0.52 0.00 0.00 175.17 177.18 2jpf n GLY 21 N 4.06 4.12 3.68 2.66 0.00 -1.26 -5.00 105.19 113.45 2jpf n GLY 21 Ca -0.19 -0.63 -0.47 0.00 0.00 0.00 0.00 46.02 44.72 2jpf n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jpf n LEU 22 N 0.00 3.39 -0.09 0.99 4.77 -1.26 -4.89 117.00 119.90 2jpf n LEU 22 Ca 0.00 1.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.80 2jpf n LEU 22 Cb 0.00 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 39.59 2jpf n LEU 22 CO 0.00 -0.11 -0.36 0.03 -1.33 0.00 0.00 177.39 175.62 2jpf h ARG 23 N 8.24 0.00 -3.06 3.23 3.08 -1.99 -3.48 114.38 120.39 2jpf h ARG 23 Ca -0.47 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.38 2jpf h ARG 23 Cb 1.26 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.02 2jpf h ARG 23 CO 0.93 0.84 -0.49 0.00 -1.07 0.00 0.00 179.97 180.17 2jpf s ALA 24 N -2.40 -0.53 0.00 0.04 0.00 -1.26 -4.97 121.76 112.64 2jpf s ALA 24 Ca -0.25 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2jpf s ALA 24 Cb 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2jpf s ALA 24 CO 0.54 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2jpf n GLY 25 N 4.09 0.81 0.49 0.00 0.00 -1.26 -4.95 105.19 104.37 2jpf n GLY 25 Ca -0.24 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.73 2jpf n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jpf n SER 26 N 0.00 1.16 -0.06 1.61 7.64 -1.26 -4.49 113.62 118.22 2jpf n SER 26 Ca 0.00 -2.07 -0.02 0.00 1.01 0.00 0.00 58.87 57.80 2jpf n SER 26 Cb 0.00 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 2jpf n SER 26 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2jpf n MET 27 N -0.04 -0.07 -0.01 1.43 2.81 -1.26 -3.85 117.12 116.14 2jpf n MET 27 Ca 0.03 0.99 -0.00 0.00 -1.81 0.00 0.00 57.70 56.91 2jpf n MET 27 Cb 0.26 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jpf h ALA 28 N -0.69 0.00 -2.87 3.04 0.00 -2.05 -3.47 119.26 113.23 2jpf h ALA 28 Ca 0.02 -0.12 -0.62 0.00 0.00 0.00 0.00 54.91 54.19 2jpf h ALA 28 Cb 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2jpf h ALA 28 CO -0.14 0.02 -0.35 -0.51 0.00 0.00 0.00 179.25 178.26 2jpf s LEU 29 N -4.62 4.34 -0.64 0.00 1.43 -1.25 -5.04 118.68 112.90 2jpf s LEU 29 Ca -0.01 0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 53.43 2jpf s LEU 29 Cb 0.00 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 43.95 2jpf s LEU 29 CO 0.01 0.26 1.13 -1.58 0.23 0.00 0.00 176.35 176.40 2jpf s GLN 30 N -0.39 3.29 0.39 1.70 0.74 -1.26 -4.19 119.66 119.95 2jpf s GLN 30 Ca 0.17 -0.23 0.26 0.00 0.05 0.00 0.00 55.36 55.62 2jpf s GLN 30 Cb -0.13 -4.12 0.76 0.00 1.10 0.00 0.00 33.01 30.62 2jpf s GLN 30 CO 0.06 -1.83 1.75 0.78 -0.55 0.00 0.00 175.29 175.50 2jpf h GLY 31 N 12.01 0.00 0.45 2.59 0.00 -1.89 -0.60 103.07 115.63 2jpf h GLY 31 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2jpf h GLY 31 CO 1.20 0.00 -0.08 -1.80 0.00 0.00 0.00 176.54 175.85 2jpf h ASP 32 N 0.00 -0.20 1.49 0.19 1.82 -1.95 -2.97 116.42 114.80 2jpf h ASP 32 Ca 0.00 -0.33 -0.04 0.00 -0.39 0.00 0.00 57.03 56.26 2jpf h ASP 32 Cb 0.75 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2jpf h ASP 32 CO 0.00 0.30 -0.52 -0.37 -1.61 0.00 0.00 179.24 177.04 2jpf h VAL 33 N -0.79 0.25 -0.69 2.25 -1.51 -1.99 -3.28 116.25 110.48 2jpf h VAL 33 Ca -0.02 -1.38 -0.08 0.00 -1.23 0.00 0.00 66.70 63.99 2jpf h VAL 33 Cb 0.52 1.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 2jpf h VAL 33 CO 0.04 0.14 0.14 0.50 -1.23 0.00 0.00 177.57 177.16 2jpf h LYS 34 N 0.00 1.13 -0.06 5.19 3.64 -1.18 -2.82 116.57 122.46 2jpf h LYS 34 Ca -0.02 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 58.92 2jpf h LYS 34 Cb 1.15 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2jpf h LYS 34 CO 0.02 1.01 -0.64 -0.39 -2.27 0.00 0.00 179.45 177.18 2jpf h VAL 35 N 1.06 1.40 -0.91 2.00 -1.51 -1.61 -3.12 116.25 113.56 2jpf h VAL 35 Ca 0.21 -2.06 0.26 0.00 -1.23 0.00 0.00 66.70 63.89 2jpf h VAL 35 Cb 0.41 2.06 -0.04 0.00 -2.13 0.00 0.00 31.29 31.59 2jpf h VAL 35 CO 0.01 0.61 0.98 -0.25 -1.23 0.00 0.00 177.57 177.69 2jpf h TRP 36 N 0.17 0.00 0.11 5.19 7.01 -1.55 0.11 115.95 126.99 2jpf h TRP 36 Ca -0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2jpf h TRP 36 Cb 1.16 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 2jpf h TRP 36 CO 0.02 0.00 -0.05 1.98 -2.79 0.00 0.00 178.44 177.60 2jpf h MET 37 N 0.00 -0.15 -0.66 2.65 4.05 -1.66 -3.25 114.93 115.91 2jpf h MET 37 Ca 0.43 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 60.01 2jpf h MET 37 Cb 2.39 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 33.18 2jpf h MET 37 CO -0.00 0.12 0.45 -0.56 0.23 0.00 0.00 176.91 177.14 2jpf h GLN 38 N -1.00 0.25 -0.39 0.39 3.07 -1.01 0.89 115.11 117.30 2jpf h GLN 38 Ca -0.02 -0.01 0.03 0.00 0.09 0.00 0.00 58.65 58.74 2jpf h GLN 38 Cb 0.33 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 2jpf h GLN 38 CO 0.03 0.16 0.20 -0.91 0.09 0.00 0.00 178.83 178.40 2jpf h ASN 39 N 0.25 0.31 1.72 0.06 4.21 -1.24 -1.66 115.58 119.22 2jpf h ASN 39 Ca 0.32 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 2jpf h ASN 39 Cb 0.90 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.05 2jpf h ASN 39 CO -0.07 0.22 -0.29 -0.07 -1.29 0.00 0.00 177.43 175.94 2jpf h LEU 40 N 0.42 0.00 -0.11 1.61 3.38 -1.26 -2.73 115.31 116.62 2jpf h LEU 40 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2jpf h LEU 40 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jpf h LEU 40 CO -0.11 0.04 -0.00 -0.08 0.09 0.00 0.00 178.44 178.38 2jpf h GLU 41 N 0.00 0.19 0.00 1.13 4.57 -0.23 0.87 114.58 121.10 2jpf h GLU 41 Ca -0.00 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2jpf h GLU 41 Cb 1.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2jpf h GLU 41 CO 0.00 0.44 -0.35 0.22 -1.18 0.00 0.00 179.01 178.15 2jpf h ASP 42 N -0.08 0.00 0.00 1.04 3.58 -1.43 -3.25 116.42 116.27 2jpf h ASP 42 Ca 0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2jpf h ASP 42 Cb 0.36 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2jpf h ASP 42 CO 0.01 0.15 -0.35 0.25 -2.88 0.00 0.00 179.24 176.42 2jpf h LEU 43 N 0.00 0.00 -0.87 2.28 7.12 -1.40 -3.39 115.31 119.05 2jpf h LEU 43 Ca -0.01 -0.02 0.21 0.00 0.13 0.00 0.00 57.88 58.19 2jpf h LEU 43 Cb 1.12 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.09 2jpf h LEU 43 CO 0.02 0.68 -0.04 -0.74 -0.13 0.00 0.00 178.44 178.24 2jpf h HIS 44 N -1.00 -0.14 -1.42 1.25 2.76 0.68 0.59 115.15 117.87 2jpf h HIS 44 Ca -0.01 0.07 0.45 0.00 -2.20 0.00 0.00 60.37 58.68 2jpf h HIS 44 Cb 0.36 0.20 -0.11 0.00 1.55 0.00 0.00 27.41 29.41 2jpf h HIS 44 CO -0.13 -0.34 0.95 0.00 -1.30 0.00 0.00 177.93 177.10 2jpf h THR 45 N 0.05 0.13 0.00 6.26 1.03 -1.70 -2.60 112.91 116.08 2jpf h THR 45 Ca 0.48 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.86 2jpf h THR 45 Cb 0.89 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.02 2jpf h THR 45 CO -0.82 0.01 -0.66 -1.14 -0.01 0.00 0.00 175.52 172.91 2jpf n ARG 46 N -4.53 0.42 -3.72 0.00 0.00 0.19 -5.00 116.66 104.03 2jpf n ARG 46 Ca 0.38 0.33 -0.16 0.00 -0.00 0.00 0.00 57.85 58.39 2jpf n ARG 46 Cb 1.51 -1.43 -0.16 0.00 0.00 0.00 0.00 32.46 32.39 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2jpf s ARG 47 N -2.37 -0.01 -0.02 -0.14 3.52 -0.37 -5.06 118.95 114.50 2jpf s ARG 47 Ca -0.19 0.35 -0.24 0.00 -0.13 0.00 0.00 55.73 55.51 2jpf s ARG 47 Cb 0.03 -0.30 -0.18 0.00 -1.56 0.00 0.00 34.95 32.94 2jpf s ARG 47 CO 0.28 -0.23 1.13 -1.00 -0.81 0.00 0.00 175.30 174.67 2jpf h PRO 48 N 7.75 -0.20 -1.03 5.12 0.13 -1.81 -2.01 132.00 139.95 2jpf h PRO 48 Ca -0.31 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.13 2jpf h PRO 48 Cb 1.12 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2jpf h PRO 48 CO 0.33 0.22 0.83 0.22 -0.23 0.00 0.00 178.00 179.36 2jpf h ASP 49 N -0.69 0.00 0.67 1.44 1.82 -1.97 1.29 116.42 118.98 2jpf h ASP 49 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2jpf h ASP 49 Cb 0.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2jpf h ASP 49 CO 0.03 0.00 -1.15 -0.62 -1.61 0.00 0.00 179.24 175.89 2jpf n GLU 50 N -3.97 0.51 -0.35 0.28 -0.58 -1.18 -4.21 120.64 111.15 2jpf n GLU 50 Ca 0.22 0.03 0.25 0.00 -0.42 0.00 0.00 57.16 57.24 2jpf n GLU 50 Cb 1.17 -1.71 0.49 0.00 -0.57 0.00 0.00 31.44 30.82 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2jpf h PHE 51 N 0.00 0.87 0.00 -0.32 -5.15 0.25 1.38 116.94 113.96 2jpf h PHE 51 Ca 0.00 0.03 -0.07 0.00 -0.20 0.00 0.00 57.97 57.74 2jpf h PHE 51 Cb 0.91 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 36.84 2jpf h PHE 51 CO 0.00 -0.13 -0.33 1.79 -2.00 0.00 0.00 178.31 177.65 2jpf h THR 52 N 0.33 0.64 0.00 0.88 1.35 -1.73 -3.11 112.91 111.27 2jpf h THR 52 Ca 0.72 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2jpf h THR 52 Cb 1.71 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 2jpf h THR 52 CO -0.54 0.32 0.11 0.00 -0.25 0.00 0.00 175.52 175.17 2jpf h ALA 53 N 1.67 1.11 0.05 6.62 0.00 0.17 0.94 119.26 129.82 2jpf h ALA 53 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jpf h ALA 53 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jpf h ALA 53 CO 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.16 2jpf h ARG 54 N 0.00 -0.06 0.00 0.00 2.47 -1.53 -3.33 114.38 111.93 2jpf h ARG 54 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jpf h ARG 54 Cb 0.23 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2jpf h ARG 54 CO 0.00 -0.04 0.00 1.37 0.56 0.00 0.00 179.97 181.86 2jpf h LEU 55 N -0.33 0.00 -1.39 3.04 -0.00 -1.70 -3.07 115.31 111.86 2jpf h LEU 55 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 2jpf h LEU 55 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.67 2jpf h LEU 55 CO 0.01 0.00 0.45 -0.61 -0.00 0.00 0.00 178.44 178.29 2jpf h GLN 56 N 0.00 0.75 -0.03 0.17 5.75 0.78 0.73 115.11 123.26 2jpf h GLN 56 Ca 0.00 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.30 2jpf h GLN 56 Cb 0.60 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2jpf h GLN 56 CO 0.00 0.50 -0.70 1.96 -2.65 0.00 0.00 178.83 177.94 2jpf h GLN 57 N 0.77 0.16 0.23 1.69 4.20 -1.64 -3.23 115.11 117.30 2jpf h GLN 57 Ca 0.28 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2jpf h GLN 57 Cb 0.13 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2jpf h GLN 57 CO -0.08 0.80 -0.11 0.77 -0.67 0.00 0.00 178.83 179.53 2jpf h SER 58 N 0.11 -0.26 -0.34 1.46 0.02 -1.36 -3.23 113.55 109.94 2jpf h SER 58 Ca -0.02 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2jpf h SER 58 Cb 1.24 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 2jpf h SER 58 CO 0.10 0.13 0.94 0.00 -1.14 0.00 0.00 176.83 176.86 2jpf h THR 59 N -0.95 0.03 -0.08 -2.27 1.03 -1.03 0.14 112.91 109.78 2jpf h THR 59 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.40 2jpf h THR 59 Cb 0.24 0.14 -0.04 0.00 -1.07 0.00 0.00 68.15 67.42 2jpf h THR 59 CO 0.05 0.00 -0.17 -0.78 -0.01 0.00 0.00 175.52 174.61 2jpf h ASP 60 N 0.00 -0.51 -1.21 0.00 1.82 -1.57 0.27 116.42 115.23 2jpf h ASP 60 Ca 0.16 0.08 0.35 0.00 -0.39 0.00 0.00 57.03 57.23 2jpf h ASP 60 Cb 2.03 0.23 -0.06 0.00 0.68 0.00 0.00 39.33 42.21 2jpf h ASP 60 CO -0.00 -0.22 0.85 0.00 -1.61 0.00 0.00 179.24 178.26 2jpf h ALA 61 N 0.76 2.98 0.00 -0.78 0.00 -0.89 -1.09 119.26 120.23 2jpf h ALA 61 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2jpf h ALA 61 Cb 0.35 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jpf h ALA 61 CO -0.22 -1.35 -0.86 1.25 0.00 0.00 0.00 179.25 178.07 2jpf h LEU 62 N 0.08 0.00 -0.78 0.00 6.46 -1.30 -2.81 115.31 116.96 2jpf h LEU 62 Ca 0.60 -0.62 0.15 0.00 -0.12 0.00 0.00 57.88 57.90 2jpf h LEU 62 Cb 2.22 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 42.00 2jpf h LEU 62 CO -0.08 1.31 -0.23 0.22 -0.62 0.00 0.00 178.44 179.04 2jpf h TYR 63 N -1.00 -0.52 -0.10 1.25 5.03 0.65 0.29 116.97 122.57 2jpf h TYR 63 Ca -0.23 0.07 -0.24 0.00 2.58 0.00 0.00 58.73 60.91 2jpf h TYR 63 Cb 1.17 0.35 0.01 0.00 1.55 0.00 0.00 36.73 39.81 2jpf h TYR 63 CO 0.13 -0.35 -0.87 1.03 -1.32 0.00 0.00 178.16 176.79 2jpf h SER 64 N -0.02 0.93 -0.31 -2.11 0.87 -1.46 -1.29 113.55 110.17 2jpf h SER 64 Ca 0.36 -0.66 0.06 0.00 -1.23 0.00 0.00 61.79 60.33 2jpf h SER 64 Cb 0.58 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 2jpf h SER 64 CO -0.81 1.46 -0.07 -0.74 -0.53 0.00 0.00 176.83 176.14 2jpf h HIS 65 N 0.49 -0.15 0.25 2.24 -0.00 -0.66 0.43 115.15 117.76 2jpf h HIS 65 Ca -0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 2jpf h HIS 65 Cb 1.50 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 29.03 2jpf h HIS 65 CO 0.09 -0.13 -0.12 1.25 -0.00 0.00 0.00 177.93 179.02 2jpf h LEU 66 N 0.01 -0.28 -1.00 0.26 5.85 -0.59 0.48 115.31 120.03 2jpf h LEU 66 Ca 0.15 -0.12 0.26 0.00 0.84 0.00 0.00 57.88 59.02 2jpf h LEU 66 Cb 0.23 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.20 2jpf h LEU 66 CO -0.32 0.21 0.59 -0.08 -0.34 0.00 0.00 178.44 178.50 2jpf h GLU 67 N -1.04 0.50 0.00 1.25 4.22 -1.20 1.77 114.58 120.08 2jpf h GLU 67 Ca -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2jpf h GLU 67 Cb 0.38 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jpf h GLU 67 CO 0.06 0.33 -0.16 0.00 -2.18 0.00 0.00 179.01 177.06 2jpf h ALA 68 N 1.76 0.00 0.65 2.92 0.00 -0.20 -3.11 119.26 121.27 2jpf h ALA 68 Ca 0.67 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 2jpf h ALA 68 Cb 1.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jpf h ALA 68 CO -0.51 0.16 -0.34 0.37 0.00 0.00 0.00 179.25 178.93 2jpf h GLN 69 N -0.96 -0.88 -0.16 0.00 5.75 0.24 -2.03 115.11 117.06 2jpf h GLN 69 Ca 0.00 0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.61 2jpf h GLN 69 Cb 0.16 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2jpf h GLN 69 CO 0.00 -0.58 0.25 2.35 -2.65 0.00 0.00 178.83 178.19 2jpf h TRP 70 N -0.91 0.00 -0.99 3.99 -0.00 0.26 -1.48 115.95 116.82 2jpf h TRP 70 Ca -0.09 0.00 0.21 0.00 -0.00 0.00 0.00 58.89 59.02 2jpf h TRP 70 Cb 0.71 0.00 -0.10 0.00 -0.00 0.00 0.00 29.16 29.78 2jpf h TRP 70 CO -0.05 0.00 0.62 0.00 -0.00 0.00 0.00 178.44 179.01 2jpf h ALA 71 N 1.66 1.93 -1.00 2.65 0.00 -1.27 -0.47 119.26 122.77 2jpf h ALA 71 Ca 0.08 0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.41 2jpf h ALA 71 Cb 0.57 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 2jpf h ALA 71 CO -0.00 -0.30 0.52 0.87 0.00 0.00 0.00 179.25 180.34 2jpf h LYS 72 N 0.58 0.17 0.47 0.00 1.79 -1.37 0.86 116.57 119.07 2jpf h LYS 72 Ca 0.56 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 59.01 2jpf h LYS 72 Cb 1.13 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 2jpf h LYS 72 CO -0.32 0.11 -0.43 1.96 -1.08 0.00 0.00 179.45 179.68 2jpf h GLN 73 N 0.17 -0.87 0.00 3.15 1.08 -1.30 -3.43 115.11 113.91 2jpf h GLN 73 Ca 0.77 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 58.03 2jpf h GLN 73 Cb 1.87 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 2jpf h GLN 73 CO -0.69 -0.58 -0.34 0.72 -0.95 0.00 0.00 178.83 176.99 2jpf n HIS 74 N -5.53 0.00 0.00 2.96 8.25 0.21 -5.02 115.22 116.09 2jpf n HIS 74 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2jpf n HIS 74 Cb 0.42 0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 2.06 2.92 0.08 -1.41 0.00 0.27 -4.75 105.19 104.36 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 0.79 0.00 2.61 1.35 -1.96 -3.38 112.91 112.33 2jpf h THR 76 Ca 0.00 -1.81 -0.08 0.00 -0.55 0.00 0.00 66.41 63.97 2jpf h THR 76 Cb 0.00 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 2jpf h THR 76 CO 0.00 0.27 -0.36 1.55 -0.25 0.00 0.00 175.52 176.73 2jpf h PRO 77 N -1.00 0.00 -6.33 4.72 0.13 -1.97 -3.42 132.00 124.13 2jpf h PRO 77 Ca -0.15 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.40 2jpf h PRO 77 Cb 0.90 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2jpf h PRO 77 CO -0.09 0.36 1.20 -1.25 -0.23 0.00 0.00 178.00 177.99 2jpf s PRO 78 N -3.85 3.49 0.11 1.56 0.04 -1.26 -4.56 135.00 130.53 2jpf s PRO 78 Ca -0.01 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.17 2jpf s PRO 78 Cb 0.12 -4.13 0.08 0.00 0.04 0.00 0.00 34.50 30.62 2jpf s PRO 78 CO 0.69 -1.66 0.76 0.99 0.04 0.00 0.00 177.00 177.82 2jpf s THR 79 N 6.20 0.00 0.50 1.26 2.01 -1.26 -4.90 115.64 119.45 2jpf s THR 79 Ca 0.74 -0.16 0.44 0.00 0.31 0.00 0.00 61.69 63.02 2jpf s THR 79 Cb -0.21 -1.20 0.65 0.00 0.01 0.00 0.00 72.50 71.75 2jpf s THR 79 CO 0.33 0.00 1.47 0.00 -0.69 0.00 0.00 174.62 175.73 2jpf n ALA 80 N -0.34 1.68 -0.12 7.40 0.00 -1.26 0.18 120.51 128.05 2jpf n ALA 80 Ca -0.11 0.66 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 2jpf n ALA 80 Cb 0.63 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 2jpf n ALA 80 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jpf h SER 81 N 0.00 0.58 0.00 0.00 0.02 -1.94 -3.00 113.55 109.21 2jpf h SER 81 Ca 0.88 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 61.46 2jpf h SER 81 Cb 3.37 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 65.74 2jpf h SER 81 CO -0.11 0.75 -0.42 0.44 -1.14 0.00 0.00 176.83 176.35 2jpf h ASP 82 N 0.40 0.00 -0.76 3.07 3.32 0.17 -3.33 116.42 119.29 2jpf h ASP 82 Ca 0.10 -0.50 0.22 0.00 0.02 0.00 0.00 57.03 56.87 2jpf h ASP 82 Cb 0.44 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2jpf h ASP 82 CO 0.02 0.99 1.08 0.58 -1.72 0.00 0.00 179.24 180.18 2jpf h VAL 83 N -1.00 0.04 -0.91 -1.35 2.07 -0.68 0.42 116.25 114.84 2jpf h VAL 83 Ca -0.09 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.61 2jpf h VAL 83 Cb 0.79 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 2jpf h VAL 83 CO -0.06 0.00 0.47 1.62 0.02 0.00 0.00 177.57 179.63 2jpf h VAL 84 N 0.00 0.64 0.00 2.57 3.04 -1.63 -3.27 116.25 117.60 2jpf h VAL 84 Ca 0.36 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 2jpf h VAL 84 Cb 2.52 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 2jpf h VAL 84 CO -0.00 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.27 2jpf n GLY 85 N -1.33 0.69 0.21 3.17 0.00 0.11 -4.65 105.19 103.38 2jpf n GLY 85 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 0.40 -7.40 1.61 4.05 -0.48 -3.44 114.93 109.68 2jpf h MET 86 Ca 0.00 -0.02 -0.41 0.00 -0.28 0.00 0.00 59.70 58.98 2jpf h MET 86 Cb 0.15 -0.09 0.19 0.00 -0.80 0.00 0.00 31.60 31.05 2jpf h MET 86 CO 0.00 0.27 0.14 -1.25 0.23 0.00 0.00 176.91 176.29 2jpf s PRO 87 N -6.12 -1.19 0.04 0.39 0.04 -1.26 -4.99 135.00 121.91 2jpf s PRO 87 Ca -0.13 -0.06 0.01 0.00 0.04 0.00 0.00 61.00 60.86 2jpf s PRO 87 Cb 0.15 -1.60 -0.25 0.00 0.04 0.00 0.00 34.50 32.83 2jpf s PRO 87 CO 0.73 -3.69 0.98 -0.56 0.04 0.00 0.00 177.00 174.50 2jpf h GLN 88 N -2.57 0.16 -0.93 4.56 3.07 -1.95 -3.35 115.11 114.10 2jpf h GLN 88 Ca -0.45 -0.26 0.23 0.00 0.09 0.00 0.00 58.65 58.26 2jpf h GLN 88 Cb 1.29 0.10 -0.17 0.00 0.08 0.00 0.00 27.48 28.78 2jpf h GLN 88 CO 0.35 1.02 -0.02 0.11 0.09 0.00 0.00 178.83 180.38 2jpf h TRP 89 N 0.04 -0.11 -0.71 0.06 5.08 -1.94 1.16 115.95 119.53 2jpf h TRP 89 Ca -0.17 0.07 -0.00 0.00 1.08 0.00 0.00 58.89 59.87 2jpf h TRP 89 Cb 1.95 0.20 -0.03 0.00 -3.00 0.00 0.00 29.16 28.27 2jpf h TRP 89 CO 0.04 -0.38 0.43 0.37 -1.28 0.00 0.00 178.44 177.62 2jpf h GLN 90 N 0.04 0.95 0.16 0.12 5.75 -1.83 0.18 115.11 120.48 2jpf h GLN 90 Ca 0.53 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.94 2jpf h GLN 90 Cb 1.02 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.36 2jpf h GLN 90 CO -0.86 0.66 -0.08 1.49 -2.65 0.00 0.00 178.83 177.39 2jpf h GLU 91 N 0.97 -0.21 0.44 1.69 4.81 0.92 -3.16 114.58 120.03 2jpf h GLU 91 Ca 0.25 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2jpf h GLU 91 Cb -0.05 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2jpf h GLU 91 CO -0.05 0.12 -0.42 1.88 -0.73 0.00 0.00 179.01 179.82 2jpf h TYR 92 N -0.97 -1.13 -1.41 0.92 0.05 -0.12 0.27 116.97 114.57 2jpf h TYR 92 Ca -0.02 0.01 0.41 0.00 0.05 0.00 0.00 58.73 59.18 2jpf h TYR 92 Cb 0.43 0.44 -0.07 0.00 1.01 0.00 0.00 36.73 38.53 2jpf h TYR 92 CO 0.07 -0.58 1.00 0.00 -1.05 0.00 0.00 178.16 177.60 2jpf h THR 93 N -0.86 0.27 0.16 -2.88 1.03 -0.81 0.32 112.91 110.13 2jpf h THR 93 Ca -0.04 -0.02 -0.31 0.00 -0.01 0.00 0.00 66.41 66.03 2jpf h THR 93 Cb 0.76 0.21 0.01 0.00 -1.07 0.00 0.00 68.15 68.06 2jpf h THR 93 CO -0.05 0.01 -1.55 0.00 -0.01 0.00 0.00 175.52 173.91 2jpf h ALA 94 N 1.34 0.14 -0.93 0.00 0.00 -1.25 -3.31 119.26 115.25 2jpf h ALA 94 Ca 0.71 -1.08 0.28 0.00 0.00 0.00 0.00 54.91 54.81 2jpf h ALA 94 Cb 2.66 0.44 -0.16 0.00 0.00 0.00 0.00 17.79 20.73 2jpf h ALA 94 CO -0.09 0.89 0.26 1.98 0.00 0.00 0.00 179.25 182.30 2jpf h MET 95 N -0.09 0.14 -0.07 0.00 -1.53 0.32 0.20 114.93 113.91 2jpf h MET 95 Ca -0.31 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 55.92 2jpf h MET 95 Cb 1.94 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 32.96 2jpf h MET 95 CO 0.13 0.09 -0.02 1.37 0.14 0.00 0.00 176.91 178.63 2jpf h LEU 96 N 0.15 0.13 -0.04 3.39 -0.00 -1.63 0.71 115.31 118.01 2jpf h LEU 96 Ca 0.62 -0.38 0.04 0.00 -0.00 0.00 0.00 57.88 58.16 2jpf h LEU 96 Cb 1.35 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.92 2jpf h LEU 96 CO -0.73 0.48 -0.37 0.03 -0.00 0.00 0.00 178.44 177.85 2jpf h ARG 97 N -0.21 -0.49 -0.06 0.17 3.08 -0.77 1.86 114.38 117.95 2jpf h ARG 97 Ca 0.02 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2jpf h ARG 97 Cb 0.42 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2jpf h ARG 97 CO 0.01 -0.32 -0.13 1.49 -1.07 0.00 0.00 179.97 179.94 2jpf h GLU 98 N -0.51 0.19 -0.44 0.04 4.57 -1.12 -3.00 114.58 114.32 2jpf h GLU 98 Ca 0.06 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2jpf h GLU 98 Cb 0.61 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2jpf h GLU 98 CO -0.32 0.72 0.00 -2.13 -1.18 0.00 0.00 179.01 176.10 2jpf n ARG 99 N -4.63 1.00 -1.56 1.92 3.00 0.25 -4.83 116.66 111.81 2jpf n ARG 99 Ca -0.08 -0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.39 2jpf n ARG 99 Cb 0.37 -1.22 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 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 -0.28 1.55 -0.01 -0.14 -1.74 0.63 -4.67 117.46 112.79 2jpf n PHE 100 Ca 0.00 0.07 -0.02 0.00 -0.56 0.00 0.00 57.45 56.94 2jpf n PHE 100 Cb 0.11 -2.66 -0.01 0.00 1.52 0.00 0.00 39.48 38.44 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 15.05 1.94 -2.62 1.98 0.00 -1.26 -4.89 120.51 130.71 2jpf n ALA 101 Ca 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 2jpf n ALA 101 Cb 0.53 0.39 0.08 0.00 0.00 0.00 0.00 19.45 20.44 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 3.26 1.73 1.42 0.00 0.00 -1.26 -4.91 105.19 105.44 2jpf n GLY 102 Ca -0.04 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 4.75 -0.24 0.99 -0.00 -1.26 -4.70 117.00 115.54 2jpf n LEU 103 Ca -0.11 -2.78 0.08 0.00 -0.00 0.00 0.00 56.01 53.20 2jpf n LEU 103 Cb 0.85 -0.58 0.16 0.00 -0.00 0.00 0.00 43.42 43.85 2jpf n LEU 103 CO -0.09 0.70 0.51 0.47 -0.00 0.00 0.00 177.39 178.98 2jpf n ASP 104 N 0.39 -0.15 0.07 1.45 8.00 -1.26 0.24 116.55 125.29 2jpf n ASP 104 Ca 0.24 1.18 -0.16 0.00 0.71 0.00 0.00 54.79 56.76 2jpf n ASP 104 Cb 0.98 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.61 2jpf n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jpf h THR 105 N 0.00 1.37 -0.01 -3.53 1.03 -2.00 -3.51 112.91 106.26 2jpf h THR 105 Ca 0.38 -2.45 0.00 0.00 -0.01 0.00 0.00 66.41 64.33 2jpf h THR 105 Cb 0.72 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 70.26 2jpf h THR 105 CO -0.67 0.74 0.00 -0.38 -0.01 0.00 0.00 175.52 175.19