#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpf s GLN 2 N 0.00 2.31 -0.07 1.64 1.11 -1.26 -5.01 119.66 118.37 2jpf s GLN 2 Ca 0.00 -1.07 -0.16 0.00 0.01 0.00 0.00 55.36 54.13 2jpf s GLN 2 Cb 0.00 -2.67 -0.12 0.00 -1.01 0.00 0.00 33.01 29.21 2jpf s GLN 2 CO 0.00 -0.45 0.62 1.96 0.01 0.00 0.00 175.29 177.43 2jpf h GLN 3 N 7.88 -0.19 -0.99 2.91 4.20 -2.10 -3.30 115.11 123.51 2jpf h GLN 3 Ca -0.27 0.01 0.33 0.00 0.06 0.00 0.00 58.65 58.78 2jpf h GLN 3 Cb 1.08 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 28.72 2jpf h GLN 3 CO 0.50 0.18 0.26 -0.07 -0.67 0.00 0.00 178.83 179.03 2jpf h LEU 4 N -0.96 -0.10 -8.75 1.46 3.38 -2.09 -3.35 115.31 104.90 2jpf h LEU 4 Ca -0.02 0.27 -0.52 0.00 0.09 0.00 0.00 57.88 57.70 2jpf h LEU 4 Cb 0.45 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2jpf h LEU 4 CO 0.03 -0.38 1.54 -1.10 0.09 0.00 0.00 178.44 178.63 2jpf s GLN 5 N -5.79 2.58 -0.27 1.13 -1.52 -1.24 -4.93 119.66 109.61 2jpf s GLN 5 Ca -0.11 1.58 -0.13 0.00 -1.95 0.00 0.00 55.36 54.75 2jpf s GLN 5 Cb 0.31 -4.47 -0.04 0.00 -0.22 0.00 0.00 33.01 28.58 2jpf s GLN 5 CO 0.78 -2.73 0.26 -1.21 -0.25 0.00 0.00 175.29 172.14 2jpf s GLU 6 N 7.33 3.98 -0.07 2.91 2.02 -1.26 -4.98 118.70 128.63 2jpf s GLU 6 Ca 0.95 -0.17 -0.19 0.00 0.02 0.00 0.00 54.97 55.58 2jpf s GLU 6 Cb -0.23 -3.66 -0.14 0.00 0.10 0.00 0.00 34.13 30.20 2jpf s GLU 6 CO 0.29 -0.21 0.70 0.45 0.02 0.00 0.00 175.26 176.51 2jpf h HIS 7 N 8.27 -0.15 -4.25 1.61 3.86 -1.93 -3.46 115.15 119.10 2jpf h HIS 7 Ca -0.34 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.20 2jpf h HIS 7 Cb 1.18 0.05 -0.26 0.00 1.06 0.00 0.00 27.41 29.44 2jpf h HIS 7 CO 0.76 0.30 -0.87 0.00 0.86 0.00 0.00 177.93 178.97 2jpf s ALA 8 N -3.28 2.15 1.24 2.45 0.00 -1.26 -5.14 121.76 117.92 2jpf s ALA 8 Ca -0.11 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.41 2jpf s ALA 8 Cb -0.00 -0.44 0.29 0.00 0.00 0.00 0.00 23.12 22.97 2jpf s ALA 8 CO 0.42 0.50 1.04 -0.35 0.00 0.00 0.00 175.76 177.38 2jpf n PRO 9 N 1.74 -3.04 -3.14 0.00 -0.04 -1.26 -5.01 135.00 124.24 2jpf n PRO 9 Ca -0.17 -1.66 -0.39 0.00 -0.04 0.00 0.00 63.50 61.23 2jpf n PRO 9 Cb 0.52 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2jpf n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jpf s SER 10 N -4.31 6.92 0.07 3.54 0.15 -1.26 -5.00 113.70 113.81 2jpf s SER 10 Ca 0.68 1.10 -0.28 0.00 0.70 0.00 0.00 55.95 58.15 2jpf s SER 10 Cb -0.07 -2.37 -0.13 0.00 -1.71 0.00 0.00 66.02 61.74 2jpf s SER 10 CO 0.52 -0.04 1.43 0.45 1.20 0.00 0.00 173.24 176.80 2jpf h HIS 11 N 6.47 -1.11 -4.35 3.44 3.86 -2.07 -3.47 115.15 117.93 2jpf h HIS 11 Ca -0.42 0.01 -0.27 0.00 -1.16 0.00 0.00 60.37 58.53 2jpf h HIS 11 Cb 1.19 0.43 0.10 0.00 1.06 0.00 0.00 27.41 30.20 2jpf h HIS 11 CO 0.64 -0.52 -0.47 0.00 0.86 0.00 0.00 177.93 178.44 2jpf n ALA 12 N -2.70 -0.94 -0.13 2.45 0.00 -1.26 -4.95 120.51 112.97 2jpf n ALA 12 Ca -0.09 0.26 -0.27 0.00 0.00 0.00 0.00 53.44 53.33 2jpf n ALA 12 Cb 0.36 -3.80 -0.10 0.00 0.00 0.00 0.00 19.45 15.91 2jpf n ALA 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jpf n ASN 13 N -1.68 1.93 -0.75 0.00 4.13 -1.26 -4.57 115.26 113.06 2jpf n ASN 13 Ca -0.01 0.36 0.07 0.00 1.68 0.00 0.00 54.58 56.68 2jpf n ASN 13 Cb 0.55 -0.85 0.20 0.00 -1.54 0.00 0.00 39.78 38.14 2jpf n ASN 13 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jpf n LEU 14 N -4.30 3.39 -0.29 3.41 4.32 -1.26 -4.74 117.00 117.52 2jpf n LEU 14 Ca -0.48 -2.51 0.04 0.00 -0.02 0.00 0.00 56.01 53.05 2jpf n LEU 14 Cb 0.82 -0.38 0.11 0.00 -1.62 0.00 0.00 43.42 42.35 2jpf n LEU 14 CO 0.07 0.70 0.52 -0.67 -1.22 0.00 0.00 177.39 176.79 2jpf n ASP 15 N -0.02 -0.30 -3.57 -1.43 -0.08 -1.26 -4.44 116.55 105.45 2jpf n ASP 15 Ca 0.16 1.37 -0.22 0.00 -1.51 0.00 0.00 54.79 54.59 2jpf n ASP 15 Cb 0.66 -0.41 0.19 0.00 2.34 0.00 0.00 41.12 43.90 2jpf n ASP 15 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2jpf n VAL 16 N -5.29 0.00 -3.83 5.18 0.24 -1.26 -5.04 118.33 108.33 2jpf n VAL 16 Ca 0.12 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.34 62.11 2jpf n VAL 16 Cb 0.39 -0.64 -0.00 0.00 -1.47 0.00 0.00 33.84 32.12 2jpf n VAL 16 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jpf s LYS 17 N -3.91 2.27 1.17 7.34 1.02 -1.26 -5.07 119.74 121.30 2jpf s LYS 17 Ca 0.46 -1.98 -0.17 0.00 0.02 0.00 0.00 55.97 54.30 2jpf s LYS 17 Cb -0.09 -2.14 0.24 0.00 -0.52 0.00 0.00 37.83 35.33 2jpf s LYS 17 CO 0.42 -0.61 0.52 0.91 -0.92 0.00 0.00 175.35 175.67 2jpf n TRP 18 N -1.78 -2.71 0.26 3.18 8.01 -1.26 -4.75 117.44 118.39 2jpf n TRP 18 Ca -0.00 -0.27 0.12 0.00 -1.31 0.00 0.00 57.50 56.04 2jpf n TRP 18 Cb 0.64 -1.40 0.72 0.00 -2.01 0.00 0.00 31.31 29.26 2jpf n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2jpf h LEU 19 N -2.97 0.00 -1.27 -0.99 7.12 -1.90 -2.94 115.31 112.35 2jpf h LEU 19 Ca -0.33 0.00 0.42 0.00 0.13 0.00 0.00 57.88 58.10 2jpf h LEU 19 Cb 1.01 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.00 2jpf h LEU 19 CO 0.21 0.12 0.76 -0.78 -0.13 0.00 0.00 178.44 178.62 2jpf h ASP 20 N 0.00 0.29 -2.84 1.25 1.82 -1.85 -3.43 116.42 111.66 2jpf h ASP 20 Ca -0.00 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2jpf h ASP 20 Cb 0.33 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2jpf h ASP 20 CO 0.02 -0.23 0.00 0.61 -1.61 0.00 0.00 179.24 178.02 2jpf n GLY 21 N -1.44 0.06 2.93 -0.78 0.00 -1.11 -5.04 105.19 99.80 2jpf n GLY 21 Ca 0.37 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 2jpf n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpf s LEU 22 N 0.00 2.10 -0.24 0.99 1.02 -1.26 -4.43 118.68 116.86 2jpf s LEU 22 Ca 0.00 -0.23 -0.05 0.00 0.02 0.00 0.00 54.13 53.86 2jpf s LEU 22 Cb 0.00 0.06 -0.17 0.00 0.02 0.00 0.00 46.19 46.10 2jpf s LEU 22 CO 0.00 -0.15 -0.13 -1.14 0.02 0.00 0.00 176.35 174.96 2jpf n ARG 23 N 2.36 0.65 -3.21 1.70 0.63 -1.26 -4.98 116.66 112.55 2jpf n ARG 23 Ca -0.18 0.23 -0.28 0.00 -0.92 0.00 0.00 57.85 56.70 2jpf n ARG 23 Cb 0.58 -1.56 -0.02 0.00 0.45 0.00 0.00 32.46 31.90 2jpf n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jpf s ALA 24 N -2.51 3.58 0.00 5.13 0.00 -1.26 -4.97 121.76 121.73 2jpf s ALA 24 Ca -0.33 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2jpf s ALA 24 Cb 0.10 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2jpf s ALA 24 CO 0.60 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.88 2jpf n GLY 25 N -1.26 0.59 3.70 0.00 0.00 -1.26 -4.81 105.19 102.15 2jpf n GLY 25 Ca -0.01 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.93 -5.03 0.10 1.61 7.64 -1.26 -4.90 113.62 107.86 2jpf n SER 26 Ca 0.00 -0.65 -0.16 0.00 1.01 0.00 0.00 58.87 59.07 2jpf n SER 26 Cb 0.00 -4.58 -0.14 0.00 -1.01 0.00 0.00 64.21 58.48 2jpf n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpf h MET 27 N -2.36 0.26 0.00 1.43 -0.00 -1.97 -3.41 114.93 108.88 2jpf h MET 27 Ca -0.58 -0.45 0.00 0.00 -0.00 0.00 0.00 59.70 58.67 2jpf h MET 27 Cb 1.37 0.17 0.00 0.00 -0.00 0.00 0.00 31.60 33.14 2jpf h MET 27 CO 0.59 1.21 -0.27 0.00 -0.00 0.00 0.00 176.91 178.45 2jpf n ALA 28 N -2.53 0.24 -2.03 -3.00 0.00 -1.26 -5.04 120.51 106.88 2jpf n ALA 28 Ca -0.08 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.79 2jpf n ALA 28 Cb 1.02 0.01 0.06 0.00 0.00 0.00 0.00 19.45 20.55 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 -5.84 3.10 -0.45 0.00 2.01 -1.26 -5.08 118.68 111.16 2jpf s LEU 29 Ca -0.08 -0.80 -0.11 0.00 0.01 0.00 0.00 54.13 53.15 2jpf s LEU 29 Cb 0.01 -1.68 0.09 0.00 0.01 0.00 0.00 46.19 44.62 2jpf s LEU 29 CO 0.12 -1.38 0.32 -1.10 1.01 0.00 0.00 176.35 175.32 2jpf s GLN 30 N -4.70 2.69 0.45 1.70 -1.52 -1.26 -4.51 119.66 112.50 2jpf s GLN 30 Ca 0.62 -1.51 0.19 0.00 -1.95 0.00 0.00 55.36 52.71 2jpf s GLN 30 Cb -0.06 -3.92 1.14 0.00 -0.22 0.00 0.00 33.01 29.95 2jpf s GLN 30 CO 0.39 -1.04 1.91 0.78 -0.25 0.00 0.00 175.29 177.08 2jpf h GLY 31 N 8.53 0.61 0.34 3.09 0.00 -1.97 -0.21 103.07 113.46 2jpf h GLY 31 Ca -0.24 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.06 2jpf h GLY 31 CO 0.82 0.03 0.35 1.29 0.00 0.00 0.00 176.54 179.03 2jpf h ASP 32 N 0.33 0.41 0.18 0.19 3.04 -1.92 -2.60 116.42 116.05 2jpf h ASP 32 Ca 0.39 0.08 -0.31 0.00 -3.24 0.00 0.00 57.03 53.95 2jpf h ASP 32 Cb 1.04 0.02 0.01 0.00 -1.04 0.00 0.00 39.33 39.36 2jpf h ASP 32 CO -0.11 0.21 -1.49 0.58 -2.04 0.00 0.00 179.24 176.39 2jpf h VAL 33 N 0.56 1.10 -1.41 4.15 2.07 -1.59 -3.19 116.25 117.94 2jpf h VAL 33 Ca 0.38 -2.52 0.44 0.00 0.82 0.00 0.00 66.70 65.82 2jpf h VAL 33 Cb 0.48 2.87 -0.11 0.00 -1.52 0.00 0.00 31.29 33.00 2jpf h VAL 33 CO -0.32 0.79 0.94 0.50 0.02 0.00 0.00 177.57 179.50 2jpf h LYS 34 N -0.06 0.08 0.00 1.57 3.64 -0.76 1.74 116.57 122.78 2jpf h LYS 34 Ca -0.29 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 2jpf h LYS 34 Cb 1.97 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 2jpf h LYS 34 CO 0.16 0.05 -1.24 1.33 -2.27 0.00 0.00 179.45 177.49 2jpf n VAL 35 N -4.51 0.81 -0.40 2.00 0.24 -1.01 -4.12 118.33 111.34 2jpf n VAL 35 Ca 0.37 -0.60 0.38 0.00 -2.04 0.00 0.00 64.34 62.45 2jpf n VAL 35 Cb 1.49 -0.47 0.66 0.00 -1.47 0.00 0.00 33.84 34.06 2jpf n VAL 35 CO 0.00 0.00 0.00 -0.25 -2.14 0.00 0.00 176.83 174.44 2jpf h TRP 36 N 0.00 0.00 0.00 6.34 7.01 0.27 0.42 115.95 129.99 2jpf h TRP 36 Ca -0.07 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.85 2jpf h TRP 36 Cb 1.24 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.28 2jpf h TRP 36 CO 0.00 0.00 -0.48 0.00 -2.79 0.00 0.00 178.44 175.17 2jpf h MET 37 N 0.00 0.00 -0.07 2.65 -0.00 -1.71 -3.31 114.93 112.48 2jpf h MET 37 Ca 0.65 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 60.37 2jpf h MET 37 Cb 3.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 34.60 2jpf h MET 37 CO -0.01 0.72 0.06 -0.56 -0.00 0.00 0.00 176.91 177.13 2jpf h GLN 38 N -1.00 0.00 -0.46 -0.10 -0.00 -0.79 0.15 115.11 112.91 2jpf h GLN 38 Ca -0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.49 2jpf h GLN 38 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.35 2jpf h GLN 38 CO -0.07 0.00 0.11 -0.91 -0.00 0.00 0.00 178.83 177.96 2jpf h ASN 39 N 0.00 0.70 0.32 0.06 2.35 -0.48 -3.08 115.58 115.44 2jpf h ASN 39 Ca 0.03 -0.23 -0.33 0.00 -0.55 0.00 0.00 56.30 55.22 2jpf h ASN 39 Cb 0.16 -0.18 0.02 0.00 0.05 0.00 0.00 38.32 38.37 2jpf h ASN 39 CO -0.00 0.75 -1.54 -0.07 -1.65 0.00 0.00 177.43 174.92 2jpf h LEU 40 N 0.61 0.66 -1.49 1.61 3.38 -1.42 -3.16 115.31 115.50 2jpf h LEU 40 Ca 0.14 -0.80 0.36 0.00 0.09 0.00 0.00 57.88 57.67 2jpf h LEU 40 Cb 0.32 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 2jpf h LEU 40 CO 0.00 1.65 0.80 -0.08 0.09 0.00 0.00 178.44 180.90 2jpf h GLU 41 N 0.12 0.19 0.00 1.13 4.81 -0.73 1.53 114.58 121.63 2jpf h GLU 41 Ca -0.27 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2jpf h GLU 41 Cb 2.11 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.44 2jpf h GLU 41 CO 0.22 0.13 -0.21 0.22 -0.73 0.00 0.00 179.01 178.64 2jpf h ASP 42 N 0.20 0.00 0.77 1.04 1.82 -1.63 -3.28 116.42 115.35 2jpf h ASP 42 Ca 0.70 -0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 57.06 2jpf h ASP 42 Cb 2.13 0.00 0.01 0.00 0.68 0.00 0.00 39.33 42.15 2jpf h ASP 42 CO -0.30 0.74 -0.37 0.25 -1.61 0.00 0.00 179.24 177.95 2jpf h LEU 43 N -1.00 -0.88 -1.00 2.28 5.85 -1.29 -2.91 115.31 116.37 2jpf h LEU 43 Ca -0.03 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.08 2jpf h LEU 43 Cb 0.41 0.23 -0.17 0.00 0.37 0.00 0.00 40.66 41.50 2jpf h LEU 43 CO -0.02 -0.56 0.49 -0.74 -0.34 0.00 0.00 178.44 177.28 2jpf h HIS 44 N -1.16 0.76 -0.90 1.25 2.76 0.22 0.95 115.15 119.04 2jpf h HIS 44 Ca -0.11 0.04 0.18 0.00 -2.20 0.00 0.00 60.37 58.29 2jpf h HIS 44 Cb 0.81 -0.17 -0.11 0.00 1.55 0.00 0.00 27.41 29.50 2jpf h HIS 44 CO -0.01 -0.39 0.47 1.15 -1.30 0.00 0.00 177.93 177.86 2jpf h THR 45 N 0.09 0.64 0.00 6.26 2.02 -1.57 -3.25 112.91 117.11 2jpf h THR 45 Ca 0.79 -0.20 -0.18 0.00 0.77 0.00 0.00 66.41 67.59 2jpf h THR 45 Cb 1.97 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2jpf h THR 45 CO -0.74 0.11 -1.60 0.54 0.37 0.00 0.00 175.52 174.20 2jpf n ARG 46 N -4.90 0.55 -4.03 6.66 3.00 0.26 -4.91 116.66 113.29 2jpf n ARG 46 Ca 0.20 0.23 -0.32 0.00 -0.01 0.00 0.00 57.85 57.95 2jpf n ARG 46 Cb 0.54 -1.45 -0.15 0.00 0.00 0.00 0.00 32.46 31.41 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 -2.75 2.06 -0.02 5.56 6.06 0.24 -5.00 118.95 125.10 2jpf s ARG 47 Ca -0.33 -1.49 -0.23 0.00 -2.50 0.00 0.00 55.73 51.18 2jpf s ARG 47 Cb 0.08 -3.03 -0.16 0.00 0.06 0.00 0.00 34.95 31.90 2jpf s ARG 47 CO 0.45 -0.69 1.05 -1.00 -2.50 0.00 0.00 175.30 172.61 2jpf h PRO 48 N 7.77 -0.32 -0.03 5.12 0.13 -1.75 -1.86 132.00 141.06 2jpf h PRO 48 Ca -0.15 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2jpf h PRO 48 Cb 1.04 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jpf h PRO 48 CO 0.49 0.04 0.17 0.22 -0.23 0.00 0.00 178.00 178.70 2jpf h ASP 49 N -0.82 0.00 0.79 1.44 3.58 -1.94 0.26 116.42 119.72 2jpf h ASP 49 Ca -0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2jpf h ASP 49 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2jpf h ASP 49 CO 0.06 0.00 -1.24 1.21 -2.88 0.00 0.00 179.24 176.39 2jpf n GLU 50 N -3.11 0.62 -0.32 0.28 2.13 -1.17 -4.20 120.64 114.86 2jpf n GLU 50 Ca -0.02 0.09 0.22 0.00 0.66 0.00 0.00 57.16 58.11 2jpf n GLU 50 Cb 0.24 -1.78 0.43 0.00 0.27 0.00 0.00 31.44 30.61 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jpf h PHE 51 N 0.00 0.73 0.00 4.31 -5.15 0.40 1.37 116.94 118.59 2jpf h PHE 51 Ca -0.04 0.04 -0.10 0.00 -0.20 0.00 0.00 57.97 57.68 2jpf h PHE 51 Cb 1.12 -0.16 -0.01 0.00 0.22 0.00 0.00 35.95 37.11 2jpf h PHE 51 CO 0.00 -0.23 -0.48 1.79 -2.00 0.00 0.00 178.31 177.39 2jpf h THR 52 N 0.24 1.11 0.00 0.88 1.35 -1.73 -2.86 112.91 111.90 2jpf h THR 52 Ca 0.70 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2jpf h THR 52 Cb 1.58 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 2jpf h THR 52 CO -0.66 0.47 0.00 0.00 -0.25 0.00 0.00 175.52 175.08 2jpf h ALA 53 N 1.52 1.00 0.17 6.62 0.00 0.16 0.43 119.26 129.17 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 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jpf h ALA 53 CO 0.06 0.00 -0.08 -0.09 0.00 0.00 0.00 179.25 179.14 2jpf h ARG 54 N 0.00 -0.22 0.00 0.00 9.65 -1.28 -3.32 114.38 119.21 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 0.16 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2jpf h ARG 54 CO 0.00 -0.14 0.00 1.37 2.80 0.00 0.00 179.97 184.00 2jpf h LEU 55 N -0.45 0.00 -1.42 3.80 -0.00 -1.69 -3.20 115.31 112.35 2jpf h LEU 55 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.99 2jpf h LEU 55 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.77 2jpf h LEU 55 CO 0.04 0.00 0.53 -0.61 -0.00 0.00 0.00 178.44 178.40 2jpf h GLN 56 N 0.00 0.58 -0.03 0.17 5.75 -0.23 0.44 115.11 121.78 2jpf h GLN 56 Ca 0.00 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 2jpf h GLN 56 Cb 0.73 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2jpf h GLN 56 CO 0.00 0.38 -0.58 1.96 -2.65 0.00 0.00 178.83 177.94 2jpf h GLN 57 N 0.59 0.10 0.00 1.69 4.20 -1.65 -3.10 115.11 116.95 2jpf h GLN 57 Ca 0.39 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2jpf h GLN 57 Cb 0.69 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2jpf h GLN 57 CO -0.15 0.65 -0.11 0.77 -0.67 0.00 0.00 178.83 179.31 2jpf h SER 58 N 0.08 0.00 -0.58 1.46 0.02 -1.02 -3.33 113.55 110.17 2jpf h SER 58 Ca -0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.11 2jpf h SER 58 Cb 1.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 2jpf h SER 58 CO 0.08 0.46 0.99 0.00 -1.14 0.00 0.00 176.83 177.22 2jpf h THR 59 N -0.81 0.05 -0.73 -2.27 1.03 -0.38 0.21 112.91 110.01 2jpf h THR 59 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.54 2jpf h THR 59 Cb 0.11 0.14 -0.10 0.00 -1.07 0.00 0.00 68.15 67.23 2jpf h THR 59 CO 0.00 0.00 0.25 -0.78 -0.01 0.00 0.00 175.52 174.98 2jpf h ASP 60 N 0.00 0.18 -1.07 0.00 3.58 -1.65 0.15 116.42 117.62 2jpf h ASP 60 Ca 0.28 0.12 0.29 0.00 0.42 0.00 0.00 57.03 58.13 2jpf h ASP 60 Cb 2.25 0.12 -0.11 0.00 1.72 0.00 0.00 39.33 43.32 2jpf h ASP 60 CO -0.00 0.06 0.67 0.00 -2.88 0.00 0.00 179.24 177.09 2jpf h ALA 61 N 1.55 2.21 0.01 -0.78 0.00 -0.80 -0.03 119.26 121.43 2jpf h ALA 61 Ca 0.40 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.21 2jpf h ALA 61 Cb 0.63 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2jpf h ALA 61 CO -0.43 -0.67 -1.00 1.25 0.00 0.00 0.00 179.25 178.40 2jpf h LEU 62 N 0.38 0.02 -0.97 0.00 6.46 -1.05 -2.53 115.31 117.63 2jpf h LEU 62 Ca 0.64 -0.64 0.28 0.00 -0.12 0.00 0.00 57.88 58.04 2jpf h LEU 62 Cb 1.61 -0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 41.39 2jpf h LEU 62 CO -0.36 1.39 0.47 0.22 -0.62 0.00 0.00 178.44 179.55 2jpf h TYR 63 N -0.95 0.77 0.02 1.25 5.03 -0.11 0.19 116.97 123.16 2jpf h TYR 63 Ca -0.27 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 60.98 2jpf h TYR 63 Cb 1.27 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.36 2jpf h TYR 63 CO 0.14 -0.15 -0.52 1.03 -1.32 0.00 0.00 178.16 177.34 2jpf h SER 64 N 0.33 0.05 -0.31 -2.11 0.87 -1.19 -3.27 113.55 107.92 2jpf h SER 64 Ca 0.67 -0.84 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2jpf h SER 64 Cb 1.44 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.32 2jpf h SER 64 CO -0.60 1.21 -0.41 -0.74 -0.53 0.00 0.00 176.83 175.76 2jpf h HIS 65 N -0.92 -1.25 -0.30 2.24 -0.00 -0.84 0.59 115.15 114.66 2jpf h HIS 65 Ca -0.13 0.06 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2jpf h HIS 65 Cb 1.18 0.58 -0.08 0.00 -0.00 0.00 0.00 27.41 29.09 2jpf h HIS 65 CO 0.21 -0.36 -0.50 1.25 -0.00 0.00 0.00 177.93 178.54 2jpf h LEU 66 N -0.28 -1.62 -2.45 0.26 6.46 -1.19 0.71 115.31 117.20 2jpf h LEU 66 Ca 0.05 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 2jpf h LEU 66 Cb 0.43 0.67 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 2jpf h LEU 66 CO -0.44 -0.42 0.02 -0.08 -0.62 0.00 0.00 178.44 176.90 2jpf h GLU 67 N -0.44 0.00 0.00 1.25 4.81 -1.46 0.61 114.58 119.35 2jpf h GLU 67 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2jpf h GLU 67 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2jpf h GLU 67 CO -0.52 0.00 -0.16 0.00 -0.73 0.00 0.00 179.01 177.59 2jpf h ALA 68 N 1.96 0.00 0.00 2.92 0.00 0.58 -3.35 119.26 121.37 2jpf h ALA 68 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2jpf h ALA 68 Cb 0.04 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jpf h ALA 68 CO 0.00 0.16 -0.50 1.96 0.00 0.00 0.00 179.25 180.87 2jpf h GLN 69 N -0.88 0.00 -1.30 0.00 1.08 -0.13 -3.36 115.11 110.52 2jpf h GLN 69 Ca 0.00 0.00 0.38 0.00 -1.45 0.00 0.00 58.65 57.58 2jpf h GLN 69 Cb 0.16 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 2jpf h GLN 69 CO 0.00 0.16 1.07 2.35 -0.95 0.00 0.00 178.83 181.45 2jpf h TRP 70 N -1.00 0.00 -0.97 2.96 2.91 0.06 0.58 115.95 120.49 2jpf h TRP 70 Ca -0.04 0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.06 2jpf h TRP 70 Cb 0.53 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.11 2jpf h TRP 70 CO -0.13 0.00 0.61 0.00 -1.03 0.00 0.00 178.44 177.90 2jpf h ALA 71 N 1.09 1.38 -1.26 2.65 0.00 -1.48 -1.20 119.26 120.44 2jpf h ALA 71 Ca 0.62 -0.00 0.36 0.00 0.00 0.00 0.00 54.91 55.89 2jpf h ALA 71 Cb 2.74 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 20.23 2jpf h ALA 71 CO -0.01 0.33 1.08 0.87 0.00 0.00 0.00 179.25 181.52 2jpf h LYS 72 N 1.06 0.00 -0.23 0.00 1.79 -0.03 0.15 116.57 119.30 2jpf h LYS 72 Ca 0.44 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.96 2jpf h LYS 72 Cb 0.27 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.85 2jpf h LYS 72 CO -0.21 0.00 -0.47 1.96 -1.08 0.00 0.00 179.45 179.66 2jpf h GLN 73 N 0.00 -0.44 0.00 3.15 1.08 -1.38 -3.41 115.11 114.10 2jpf h GLN 73 Ca 0.60 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.83 2jpf h GLN 73 Cb 2.76 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 30.29 2jpf h GLN 73 CO -0.01 -0.30 -0.24 0.72 -0.95 0.00 0.00 178.83 178.06 2jpf n HIS 74 N -5.43 0.00 0.00 2.96 8.25 -0.17 -5.04 115.22 115.80 2jpf n HIS 74 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2jpf n HIS 74 Cb 0.36 0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 1.91 3.09 0.09 -1.41 0.00 0.33 -4.82 105.19 104.38 2jpf n GLY 75 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.89 0.00 2.61 1.35 -1.96 -3.37 112.91 112.42 2jpf h THR 76 Ca 0.00 -1.93 -0.07 0.00 -0.55 0.00 0.00 66.41 63.86 2jpf h THR 76 Cb 0.00 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 2jpf h THR 76 CO 0.00 0.30 -0.34 1.55 -0.25 0.00 0.00 175.52 176.78 2jpf h PRO 77 N -1.00 0.00 -6.31 4.72 0.13 -1.95 -3.42 132.00 124.16 2jpf h PRO 77 Ca -0.18 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.38 2jpf h PRO 77 Cb 1.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 2jpf h PRO 77 CO -0.11 0.34 1.23 -1.25 -0.23 0.00 0.00 178.00 177.98 2jpf s PRO 78 N -3.85 3.34 0.07 1.56 0.04 -1.26 -4.40 135.00 130.49 2jpf s PRO 78 Ca -0.01 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 2jpf s PRO 78 Cb 0.12 -4.17 0.08 0.00 0.04 0.00 0.00 34.50 30.57 2jpf s PRO 78 CO 0.68 -1.85 0.70 -0.08 0.04 0.00 0.00 177.00 176.49 2jpf s THR 79 N 6.71 0.00 0.42 1.26 -1.32 -1.26 -4.90 115.64 116.54 2jpf s THR 79 Ca 0.74 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 61.55 2jpf s THR 79 Cb -0.20 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.29 2jpf s THR 79 CO 0.32 0.00 1.40 0.00 -2.21 0.00 0.00 174.62 174.13 2jpf n ALA 80 N -0.08 1.32 -0.02 11.08 0.00 -1.26 0.11 120.51 131.66 2jpf n ALA 80 Ca -0.15 0.74 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 2jpf n ALA 80 Cb 0.63 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 2jpf n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jpf h SER 81 N 0.00 -0.01 0.38 0.00 0.87 -1.95 -3.17 113.55 109.68 2jpf h SER 81 Ca 0.80 -0.61 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2jpf h SER 81 Cb 2.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.69 2jpf h SER 81 CO -0.34 0.61 -0.18 0.44 -0.53 0.00 0.00 176.83 176.83 2jpf h ASP 82 N -0.64 -0.44 -0.50 6.23 5.19 0.59 -2.86 116.42 124.01 2jpf h ASP 82 Ca -0.00 -0.13 0.14 0.00 -0.62 0.00 0.00 57.03 56.42 2jpf h ASP 82 Cb 0.62 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 2jpf h ASP 82 CO 0.00 -0.07 0.88 0.58 -3.12 0.00 0.00 179.24 177.51 2jpf h VAL 83 N -0.85 0.07 -0.96 -1.35 2.07 -0.50 0.57 116.25 115.30 2jpf h VAL 83 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2jpf h VAL 83 Cb 0.54 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2jpf h VAL 83 CO 0.09 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.88 2jpf h VAL 84 N 0.00 1.08 0.00 2.57 2.07 -1.47 -3.23 116.25 117.27 2jpf h VAL 84 Ca 0.24 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jpf h VAL 84 Cb 2.00 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2jpf h VAL 84 CO -0.00 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2jpf n GLY 85 N -1.38 -0.10 0.13 2.17 0.00 0.15 -4.56 105.19 101.60 2jpf n GLY 85 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 0.33 0.00 1.61 4.05 -0.29 -3.46 114.93 117.17 2jpf h MET 86 Ca 0.00 -0.13 -0.36 0.00 -0.28 0.00 0.00 59.70 58.93 2jpf h MET 86 Cb 0.43 -0.02 0.18 0.00 -0.80 0.00 0.00 31.60 31.39 2jpf h MET 86 CO 0.00 0.61 0.10 -0.35 0.23 0.00 0.00 176.91 177.50 2jpf n PRO 87 N -4.66 -2.95 0.09 0.39 -0.04 -1.25 -5.00 135.00 121.57 2jpf n PRO 87 Ca -0.05 -1.58 -0.23 0.00 -0.04 0.00 0.00 63.50 61.59 2jpf n PRO 87 Cb 0.27 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.43 -0.94 0.54 3.07 -1.95 -3.36 115.11 112.89 2jpf h GLN 88 Ca -0.37 -0.73 0.20 0.00 0.09 0.00 0.00 58.65 57.84 2jpf h GLN 88 Cb 1.14 0.27 -0.18 0.00 0.08 0.00 0.00 27.48 28.79 2jpf h GLN 88 CO 0.24 1.35 -0.19 0.11 0.09 0.00 0.00 178.83 180.43 2jpf h TRP 89 N 0.12 -0.42 -1.05 0.06 5.08 -1.96 0.87 115.95 118.65 2jpf h TRP 89 Ca -0.32 0.08 0.33 0.00 1.08 0.00 0.00 58.89 60.06 2jpf h TRP 89 Cb 2.12 0.33 -0.14 0.00 -3.00 0.00 0.00 29.16 28.47 2jpf h TRP 89 CO 0.11 -0.40 0.62 -0.56 -1.28 0.00 0.00 178.44 176.92 2jpf h GLN 90 N 0.00 0.30 0.19 0.12 -0.00 -1.80 0.62 115.11 114.53 2jpf h GLN 90 Ca 0.47 -0.02 -0.31 0.00 -0.00 0.00 0.00 58.65 58.80 2jpf h GLN 90 Cb 0.77 -0.07 0.02 0.00 -0.00 0.00 0.00 27.48 28.20 2jpf h GLN 90 CO -0.96 0.20 -1.46 1.49 -0.00 0.00 0.00 178.83 178.10 2jpf h GLU 91 N 0.30 0.40 0.78 0.06 4.81 0.47 -3.31 114.58 118.10 2jpf h GLU 91 Ca 0.73 -0.69 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2jpf h GLU 91 Cb 1.78 0.26 0.01 0.00 0.63 0.00 0.00 28.75 31.42 2jpf h GLU 91 CO -0.54 1.33 -0.38 1.88 -0.73 0.00 0.00 179.01 180.57 2jpf h TYR 92 N -0.03 -0.98 -1.56 0.92 -1.99 0.89 -2.75 116.97 111.47 2jpf h TYR 92 Ca -0.28 -0.02 0.46 0.00 2.00 0.00 0.00 58.73 60.89 2jpf h TYR 92 Cb 1.99 0.32 -0.08 0.00 2.00 0.00 0.00 36.73 40.96 2jpf h TYR 92 CO 0.13 -0.61 1.10 0.00 -0.00 0.00 0.00 178.16 178.78 2jpf h THR 93 N -1.16 0.18 -0.61 -2.88 1.03 -0.10 1.07 112.91 110.44 2jpf h THR 93 Ca -0.11 -0.01 -0.08 0.00 -0.01 0.00 0.00 66.41 66.20 2jpf h THR 93 Cb 0.81 0.15 -0.02 0.00 -1.07 0.00 0.00 68.15 68.01 2jpf h THR 93 CO 0.18 0.01 0.07 0.00 -0.01 0.00 0.00 175.52 175.77 2jpf h ALA 94 N 1.28 0.97 0.00 0.00 0.00 -1.58 -2.19 119.26 117.74 2jpf h ALA 94 Ca 0.78 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 2jpf h ALA 94 Cb 2.96 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 20.51 2jpf h ALA 94 CO -0.10 0.64 -0.00 1.98 0.00 0.00 0.00 179.25 181.77 2jpf h MET 95 N 0.95 0.00 0.00 0.00 -1.53 0.13 0.38 114.93 114.85 2jpf h MET 95 Ca 0.19 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 2jpf h MET 95 Cb 0.45 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.50 2jpf h MET 95 CO 0.02 0.00 -0.10 -0.07 0.14 0.00 0.00 176.91 176.90 2jpf h LEU 96 N 0.00 0.00 -0.32 3.39 3.38 -1.37 -0.49 115.31 119.90 2jpf h LEU 96 Ca -0.00 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 2jpf h LEU 96 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jpf h LEU 96 CO 0.00 0.80 -0.04 0.08 0.09 0.00 0.00 178.44 179.37 2jpf h ARG 97 N -1.00 0.59 0.11 1.13 0.11 -1.28 0.45 114.38 114.49 2jpf h ARG 97 Ca -0.02 -0.21 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2jpf h ARG 97 Cb 0.57 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.61 2jpf h ARG 97 CO -0.01 0.75 -0.05 1.49 0.10 0.00 0.00 179.97 182.25 2jpf h GLU 98 N 0.37 -0.14 -0.89 0.08 4.81 -0.42 -3.27 114.58 115.12 2jpf h GLU 98 Ca 0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2jpf h GLU 98 Cb 0.52 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2jpf h GLU 98 CO 0.03 0.31 0.07 -2.13 -0.73 0.00 0.00 179.01 176.55 2jpf n ARG 99 N -4.84 2.16 -0.35 1.92 0.00 -0.19 -4.40 116.66 110.96 2jpf n ARG 99 Ca -0.07 -1.14 0.31 0.00 -0.00 0.00 0.00 57.85 56.96 2jpf n ARG 99 Cb 0.25 -1.68 0.64 0.00 0.00 0.00 0.00 32.46 31.68 2jpf n ARG 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2jpf h PHE 100 N 1.15 0.32 -1.12 -0.14 -0.00 -0.13 0.30 116.94 117.33 2jpf h PHE 100 Ca 0.07 0.01 0.32 0.00 -0.00 0.00 0.00 57.97 58.37 2jpf h PHE 100 Cb 1.22 -0.09 -0.06 0.00 -0.00 0.00 0.00 35.95 37.02 2jpf h PHE 100 CO 0.45 0.00 0.79 0.00 -0.00 0.00 0.00 178.31 179.55 2jpf h ALA 101 N 1.50 2.88 -2.24 12.09 0.00 -1.82 -2.68 119.26 129.00 2jpf h ALA 101 Ca 0.61 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.88 2jpf h ALA 101 Cb 2.03 0.07 -0.40 0.00 0.00 0.00 0.00 17.79 19.49 2jpf h ALA 101 CO -0.17 -1.23 -0.44 0.41 0.00 0.00 0.00 179.25 177.82 2jpf n GLY 102 N -1.69 4.79 3.29 0.00 0.00 0.11 -5.02 105.19 106.67 2jpf n GLY 102 Ca 0.25 -2.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.08 2jpf n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpf s LEU 103 N -2.43 5.76 0.34 0.99 1.43 -1.01 -5.04 118.68 118.72 2jpf s LEU 103 Ca 0.38 -1.68 0.04 0.00 -1.03 0.00 0.00 54.13 51.84 2jpf s LEU 103 Cb 0.12 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2jpf s LEU 103 CO -0.01 -0.71 0.17 -0.62 0.23 0.00 0.00 176.35 175.40 2jpf s ASP 104 N 2.88 1.96 0.17 2.29 2.15 -1.26 -5.06 116.67 119.80 2jpf s ASP 104 Ca 0.04 -1.62 0.13 0.00 0.43 0.00 0.00 52.55 51.52 2jpf s ASP 104 Cb -0.27 0.44 -0.08 0.00 -0.30 0.00 0.00 42.92 42.71 2jpf s ASP 104 CO 0.03 -0.92 1.22 0.00 -0.17 0.00 0.00 175.17 175.33 2jpf h THR 105 N 2.07 1.07 0.00 1.71 1.03 -1.97 -3.50 112.91 113.32 2jpf h THR 105 Ca -0.33 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 63.48 2jpf h THR 105 Cb 1.25 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 70.82 2jpf h THR 105 CO 0.51 0.61 0.00 2.30 -0.01 0.00 0.00 175.52 178.93