#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 0.00 -6.40 1.64 4.20 -2.14 -3.47 115.11 108.93 2jpf h GLN 2 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 2jpf h GLN 2 Cb 0.00 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.60 2jpf h GLN 2 CO 0.00 0.98 -0.81 -0.65 -0.67 0.00 0.00 178.83 177.68 2jpf s GLN 3 N -2.28 1.44 0.03 1.46 -0.21 -1.26 -5.15 119.66 113.69 2jpf s GLN 3 Ca -0.23 -1.48 -0.21 0.00 0.02 0.00 0.00 55.36 53.45 2jpf s GLN 3 Cb 0.01 -1.69 0.05 0.00 1.00 0.00 0.00 33.01 32.38 2jpf s GLN 3 CO 0.63 0.36 0.48 -0.51 -2.12 0.00 0.00 175.29 174.13 2jpf s LEU 4 N -2.65 0.10 -0.26 2.90 1.43 -1.26 -5.11 118.68 113.83 2jpf s LEU 4 Ca 0.19 0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 2jpf s LEU 4 Cb -0.07 1.97 -0.05 0.00 0.03 0.00 0.00 46.19 48.06 2jpf s LEU 4 CO 0.09 -0.67 2.24 -1.10 0.23 0.00 0.00 176.35 177.14 2jpf s GLN 5 N -2.25 2.97 -0.15 1.70 -0.21 -1.26 -4.85 119.66 115.62 2jpf s GLN 5 Ca -0.06 1.92 -0.18 0.00 0.02 0.00 0.00 55.36 57.05 2jpf s GLN 5 Cb -0.01 -4.40 -0.16 0.00 1.00 0.00 0.00 33.01 29.44 2jpf s GLN 5 CO -0.00 -2.29 0.36 0.93 -2.12 0.00 0.00 175.29 172.16 2jpf h GLU 6 N 15.74 0.00 -7.22 2.91 5.08 -2.05 -3.47 114.58 125.56 2jpf h GLU 6 Ca -0.38 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.54 2jpf h GLU 6 Cb 1.24 0.00 0.19 0.00 0.50 0.00 0.00 28.75 30.69 2jpf h GLU 6 CO 0.99 0.65 0.07 -1.01 -1.00 0.00 0.00 179.01 178.71 2jpf s HIS 7 N -2.10 1.58 0.08 4.33 3.76 -1.26 -5.07 115.29 116.61 2jpf s HIS 7 Ca -0.16 1.07 -0.12 0.00 -0.15 0.00 0.00 55.06 55.69 2jpf s HIS 7 Cb 0.00 -3.16 0.01 0.00 1.11 0.00 0.00 32.58 30.55 2jpf s HIS 7 CO 0.45 -3.61 0.27 0.00 -0.85 0.00 0.00 174.74 171.01 2jpf s ALA 8 N -2.64 -0.52 -0.42 -1.40 0.00 -1.26 -5.11 121.76 110.40 2jpf s ALA 8 Ca 0.67 -0.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 2jpf s ALA 8 Cb -0.23 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2jpf s ALA 8 CO 0.62 -0.51 1.75 -1.25 0.00 0.00 0.00 175.76 176.37 2jpf s PRO 9 N -3.42 3.18 -0.18 0.00 0.04 -1.26 -4.95 135.00 128.41 2jpf s PRO 9 Ca 0.01 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 2jpf s PRO 9 Cb 0.02 -4.22 0.05 0.00 0.04 0.00 0.00 34.50 30.40 2jpf s PRO 9 CO -0.09 -2.05 0.54 -1.12 0.04 0.00 0.00 177.00 174.33 2jpf s SER 10 N 6.25 -0.55 0.24 6.66 0.01 -1.26 -5.14 113.70 119.91 2jpf s SER 10 Ca 0.73 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 58.69 2jpf s SER 10 Cb -0.18 1.02 -0.10 0.00 0.21 0.00 0.00 66.02 66.97 2jpf s SER 10 CO 0.30 -0.24 1.43 -1.38 0.41 0.00 0.00 173.24 173.75 2jpf s HIS 11 N 0.06 3.04 0.34 2.43 -3.43 -1.26 -4.95 115.29 111.53 2jpf s HIS 11 Ca -0.02 1.05 -0.16 0.00 -0.80 0.00 0.00 55.06 55.13 2jpf s HIS 11 Cb -0.04 -3.80 0.04 0.00 -1.43 0.00 0.00 32.58 27.35 2jpf s HIS 11 CO 0.02 -2.58 0.73 0.00 -2.00 0.00 0.00 174.74 170.90 2jpf s ALA 12 N 0.01 -0.75 0.07 -1.38 0.00 -1.26 -5.04 121.76 113.41 2jpf s ALA 12 Ca 0.59 -0.68 -0.33 0.00 0.00 0.00 0.00 51.96 51.54 2jpf s ALA 12 Cb -0.41 0.79 -0.19 0.00 0.00 0.00 0.00 23.12 23.30 2jpf s ALA 12 CO 0.43 -0.98 1.59 -0.97 0.00 0.00 0.00 175.76 175.83 2jpf h ASN 13 N 2.02 -0.76 -1.06 0.00 -1.24 -1.97 -2.61 115.58 109.96 2jpf h ASN 13 Ca -0.28 0.02 0.28 0.00 0.71 0.00 0.00 56.30 57.03 2jpf h ASN 13 Cb 1.25 0.20 -0.09 0.00 0.73 0.00 0.00 38.32 40.41 2jpf h ASN 13 CO 0.35 -0.53 0.69 -0.07 -1.29 0.00 0.00 177.43 176.58 2jpf h LEU 14 N -0.92 0.39 -0.76 0.34 3.38 -1.99 -2.32 115.31 113.43 2jpf h LEU 14 Ca -0.09 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2jpf h LEU 14 Cb 0.70 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 2jpf h LEU 14 CO 0.15 0.07 -0.45 -0.67 0.09 0.00 0.00 178.44 177.63 2jpf n ASP 15 N -4.58 -0.80 -4.68 -0.43 2.03 -0.98 -4.33 116.55 102.77 2jpf n ASP 15 Ca 0.26 1.36 -0.44 0.00 0.52 0.00 0.00 54.79 56.48 2jpf n ASP 15 Cb 0.93 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 41.13 2jpf n ASP 15 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2jpf n VAL 16 N -4.96 0.89 -0.01 5.18 0.31 -0.87 -4.95 118.33 113.92 2jpf n VAL 16 Ca 0.02 -0.22 -0.01 0.00 -0.01 0.00 0.00 64.34 64.12 2jpf n VAL 16 Cb 0.20 -1.55 -0.00 0.00 -0.91 0.00 0.00 33.84 31.58 2jpf n VAL 16 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2jpf n LYS 17 N 2.15 0.08 -4.04 5.55 5.02 -1.26 -5.07 118.16 120.58 2jpf n LYS 17 Ca 0.12 0.26 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 2jpf n LYS 17 Cb 0.32 -0.87 -0.04 0.00 -0.02 0.00 0.00 35.03 34.42 2jpf n LYS 17 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jpf s TRP 18 N -1.23 0.83 0.51 2.13 0.52 -1.26 -5.02 118.94 115.43 2jpf s TRP 18 Ca -0.03 -1.14 0.33 0.00 0.02 0.00 0.00 56.10 55.28 2jpf s TRP 18 Cb 0.00 0.07 1.46 0.00 -1.15 0.00 0.00 33.47 33.85 2jpf s TRP 18 CO 0.04 -1.16 1.79 1.25 0.02 0.00 0.00 176.95 178.90 2jpf h LEU 19 N 2.13 0.09 -8.29 2.99 7.12 -1.89 -3.41 115.31 114.06 2jpf h LEU 19 Ca -0.29 0.02 -0.26 0.00 0.13 0.00 0.00 57.88 57.48 2jpf h LEU 19 Cb 1.24 0.01 -0.19 0.00 -0.53 0.00 0.00 40.66 41.19 2jpf h LEU 19 CO 0.39 0.01 -0.72 -0.62 -0.13 0.00 0.00 178.44 177.37 2jpf s ASP 20 N -5.15 1.02 0.00 1.25 2.15 -1.26 -4.68 116.67 109.99 2jpf s ASP 20 Ca -0.06 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.19 2jpf s ASP 20 Cb 0.24 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 2jpf s ASP 20 CO 0.81 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 176.12 2jpf n GLY 21 N 0.86 1.48 3.45 2.66 0.00 -1.26 -4.97 105.19 107.41 2jpf n GLY 21 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 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 4.86 0.00 0.99 1.02 -1.26 -4.94 118.68 119.34 2jpf s LEU 22 Ca 0.00 -0.91 -0.19 0.00 0.02 0.00 0.00 54.13 53.05 2jpf s LEU 22 Cb 0.00 -2.48 -0.10 0.00 0.02 0.00 0.00 46.19 43.63 2jpf s LEU 22 CO 0.00 -1.02 0.91 -0.09 0.02 0.00 0.00 176.35 176.17 2jpf h ARG 23 N 9.12 -0.65 -0.46 1.70 2.43 -2.02 -3.32 114.38 121.18 2jpf h ARG 23 Ca -0.28 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 2jpf h ARG 23 Cb 1.09 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2jpf h ARG 23 CO 1.02 -0.43 0.04 0.00 -1.51 0.00 0.00 179.97 179.09 2jpf h ALA 24 N -1.41 0.62 0.00 2.80 0.00 -2.02 -3.49 119.26 115.76 2jpf h ALA 24 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jpf h ALA 24 Cb 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jpf h ALA 24 CO 0.11 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2jpf n GLY 25 N -0.45 -1.80 0.13 0.00 0.00 -1.25 -4.72 105.19 97.10 2jpf n GLY 25 Ca 0.00 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 2jpf n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jpf n SER 26 N 0.25 2.03 -3.23 1.61 2.88 -1.26 -5.04 113.62 110.87 2jpf n SER 26 Ca 0.00 0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 2jpf n SER 26 Cb 0.00 -0.67 -0.01 0.00 -0.75 0.00 0.00 64.21 62.78 2jpf n SER 26 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2jpf s MET 27 N -2.52 2.03 0.18 -1.46 -1.94 -1.26 -5.05 119.30 109.27 2jpf s MET 27 Ca -0.30 -1.46 -0.24 0.00 -1.71 0.00 0.00 55.69 51.99 2jpf s MET 27 Cb 0.08 0.56 0.06 0.00 2.01 0.00 0.00 34.83 37.54 2jpf s MET 27 CO 0.66 -0.91 1.44 0.00 -0.01 0.00 0.00 175.02 176.20 2jpf n ALA 28 N -0.52 -0.39 -0.47 3.03 0.00 -1.26 -4.49 120.51 116.41 2jpf n ALA 28 Ca -0.05 0.85 -0.29 0.00 0.00 0.00 0.00 53.44 53.96 2jpf n ALA 28 Cb 0.60 -0.25 0.24 0.00 0.00 0.00 0.00 19.45 20.04 2jpf n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jpf n LEU 29 N -5.25 -1.68 -4.57 0.00 4.77 -1.26 -4.84 117.00 104.16 2jpf n LEU 29 Ca 0.05 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 2jpf n LEU 29 Cb 0.30 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.29 2jpf n LEU 29 CO -0.14 -3.55 1.36 -1.10 -1.33 0.00 0.00 177.39 172.63 2jpf s GLN 30 N -4.18 3.15 0.54 3.23 -1.52 -1.26 -4.78 119.66 114.84 2jpf s GLN 30 Ca 0.62 0.56 0.36 0.00 -1.95 0.00 0.00 55.36 54.94 2jpf s GLN 30 Cb -0.18 -4.19 1.74 0.00 -0.22 0.00 0.00 33.01 30.16 2jpf s GLN 30 CO 0.61 -2.11 2.07 0.78 -0.25 0.00 0.00 175.29 176.39 2jpf h GLY 31 N 13.88 0.00 0.48 3.09 0.00 -1.88 0.46 103.07 119.09 2jpf h GLY 31 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2jpf h GLY 31 CO 1.18 0.00 -0.19 1.29 0.00 0.00 0.00 176.54 178.82 2jpf h ASP 32 N 0.00 -0.45 1.52 0.19 2.03 -1.88 -3.11 116.42 114.71 2jpf h ASP 32 Ca 0.00 -0.08 -0.06 0.00 -0.73 0.00 0.00 57.03 56.16 2jpf h ASP 32 Cb 0.23 0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.83 2jpf h ASP 32 CO 0.00 -0.01 -0.50 -0.37 -1.03 0.00 0.00 179.24 177.33 2jpf h VAL 33 N -1.06 0.36 -0.57 4.15 -1.51 -1.86 -3.29 116.25 112.47 2jpf h VAL 33 Ca -0.05 -1.55 -0.02 0.00 -1.23 0.00 0.00 66.70 63.85 2jpf h VAL 33 Cb 0.50 2.08 -0.03 0.00 -2.13 0.00 0.00 31.29 31.71 2jpf h VAL 33 CO 0.09 0.21 0.29 0.50 -1.23 0.00 0.00 177.57 177.43 2jpf h LYS 34 N 0.00 0.78 0.00 5.19 3.64 -0.19 -1.59 116.57 124.41 2jpf h LYS 34 Ca -0.02 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2jpf h LYS 34 Cb 1.20 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2jpf h LYS 34 CO 0.03 0.59 -0.15 -0.39 -2.27 0.00 0.00 179.45 177.26 2jpf h VAL 35 N 0.79 0.28 -0.98 2.00 -1.51 -1.61 -3.23 116.25 111.99 2jpf h VAL 35 Ca 0.20 -1.27 0.14 0.00 -1.23 0.00 0.00 66.70 64.54 2jpf h VAL 35 Cb 0.05 2.03 -0.08 0.00 -2.13 0.00 0.00 31.29 31.16 2jpf h VAL 35 CO -0.03 0.15 0.61 -0.25 -1.23 0.00 0.00 177.57 176.82 2jpf h TRP 36 N 0.00 1.04 0.07 5.19 2.91 -1.38 0.35 115.95 124.13 2jpf h TRP 36 Ca -0.00 0.03 -0.28 0.00 1.13 0.00 0.00 58.89 59.77 2jpf h TRP 36 Cb 1.02 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 29.32 2jpf h TRP 36 CO 0.00 0.37 -1.44 0.00 -1.03 0.00 0.00 178.44 176.34 2jpf h MET 37 N 0.87 0.14 0.00 2.65 -0.00 -1.64 -3.30 114.93 113.65 2jpf h MET 37 Ca 0.50 -0.24 -0.06 0.00 -0.00 0.00 0.00 59.70 59.90 2jpf h MET 37 Cb 0.64 0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.32 2jpf h MET 37 CO -0.27 0.96 -0.30 -0.56 -0.00 0.00 0.00 176.91 176.74 2jpf h GLN 38 N 0.04 0.00 -0.01 -0.10 -0.00 -1.29 -1.71 115.11 112.04 2jpf h GLN 38 Ca -0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.30 2jpf h GLN 38 Cb 1.95 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.42 2jpf h GLN 38 CO 0.14 0.30 -0.72 -0.91 -0.00 0.00 0.00 178.83 177.64 2jpf h ASN 39 N 0.00 0.07 0.00 0.06 2.35 -0.43 -3.26 115.58 114.37 2jpf h ASN 39 Ca -0.00 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2jpf h ASN 39 Cb 0.67 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 2jpf h ASN 39 CO 0.04 0.76 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.40 2jpf h LEU 40 N 0.04 0.01 -1.75 1.61 3.38 -1.55 -3.11 115.31 113.94 2jpf h LEU 40 Ca -0.01 -0.97 0.34 0.00 0.09 0.00 0.00 57.88 57.33 2jpf h LEU 40 Cb 1.27 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 2jpf h LEU 40 CO 0.10 1.04 1.00 -0.08 0.09 0.00 0.00 178.44 180.59 2jpf h GLU 41 N -0.98 0.00 0.13 1.13 4.22 -1.41 2.05 114.58 119.72 2jpf h GLU 41 Ca -0.03 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.18 2jpf h GLU 41 Cb 1.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.30 2jpf h GLU 41 CO -0.01 0.00 -1.13 0.22 -2.18 0.00 0.00 179.01 175.91 2jpf h ASP 42 N 0.00 0.42 0.00 1.04 1.82 -1.63 -3.29 116.42 114.78 2jpf h ASP 42 Ca 0.56 -0.89 -0.02 0.00 -0.39 0.00 0.00 57.03 56.28 2jpf h ASP 42 Cb 2.55 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 42.42 2jpf h ASP 42 CO -0.01 1.51 -0.29 0.25 -1.61 0.00 0.00 179.24 179.10 2jpf h LEU 43 N -0.35 0.00 -0.96 2.28 7.12 -0.04 -3.38 115.31 119.99 2jpf h LEU 43 Ca -0.23 -0.18 0.17 0.00 0.13 0.00 0.00 57.88 57.76 2jpf h LEU 43 Cb 1.70 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.66 2jpf h LEU 43 CO 0.10 0.75 -0.33 -0.74 -0.13 0.00 0.00 178.44 178.09 2jpf h HIS 44 N -1.00 -0.85 -1.17 1.25 2.76 0.30 0.93 115.15 117.37 2jpf h HIS 44 Ca -0.03 0.10 0.40 0.00 -2.20 0.00 0.00 60.37 58.63 2jpf h HIS 44 Cb 0.42 0.52 -0.14 0.00 1.55 0.00 0.00 27.41 29.76 2jpf h HIS 44 CO -0.02 -0.41 0.72 0.00 -1.30 0.00 0.00 177.93 176.92 2jpf h THR 45 N -0.01 0.15 0.00 6.26 1.03 -1.64 -2.21 112.91 116.49 2jpf h THR 45 Ca 0.39 -0.05 -0.15 0.00 -0.01 0.00 0.00 66.41 66.59 2jpf h THR 45 Cb 0.64 0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 67.70 2jpf h THR 45 CO -0.97 0.02 -1.10 -1.14 -0.01 0.00 0.00 175.52 172.32 2jpf n ARG 46 N -4.89 0.52 -3.70 0.00 0.63 0.28 -4.96 116.66 104.54 2jpf n ARG 46 Ca 0.36 0.48 -0.18 0.00 -0.92 0.00 0.00 57.85 57.59 2jpf n ARG 46 Cb 1.28 -1.66 -0.17 0.00 0.45 0.00 0.00 32.46 32.36 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2jpf s ARG 47 N -2.39 -0.05 -0.02 -0.14 6.06 0.11 -5.05 118.95 117.47 2jpf s ARG 47 Ca -0.25 0.35 -0.25 0.00 -2.50 0.00 0.00 55.73 53.08 2jpf s ARG 47 Cb 0.05 -0.39 -0.19 0.00 0.06 0.00 0.00 34.95 34.48 2jpf s ARG 47 CO 0.42 -0.27 1.20 -1.00 -2.50 0.00 0.00 175.30 173.15 2jpf h PRO 48 N 8.05 -0.10 -1.18 5.12 0.13 -1.80 -1.99 132.00 140.24 2jpf h PRO 48 Ca -0.23 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.25 2jpf h PRO 48 Cb 1.12 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2jpf h PRO 48 CO 0.25 0.35 0.87 0.22 -0.23 0.00 0.00 178.00 179.46 2jpf h ASP 49 N -0.59 0.00 0.77 1.44 3.58 -1.96 0.95 116.42 120.61 2jpf h ASP 49 Ca -0.01 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 2jpf h ASP 49 Cb 0.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2jpf h ASP 49 CO 0.02 0.00 -1.30 -0.62 -2.88 0.00 0.00 179.24 174.46 2jpf n GLU 50 N -4.13 0.62 -0.34 0.28 -0.58 -1.18 -4.16 120.64 111.15 2jpf n GLU 50 Ca 0.25 0.15 0.24 0.00 -0.42 0.00 0.00 57.16 57.38 2jpf n GLU 50 Cb 1.25 -1.79 0.47 0.00 -0.57 0.00 0.00 31.44 30.81 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 0.93 0.00 -0.32 -5.15 0.17 1.42 116.94 113.99 2jpf h PHE 51 Ca -0.10 0.04 -0.05 0.00 -0.20 0.00 0.00 57.97 57.66 2jpf h PHE 51 Cb 1.32 -0.25 -0.01 0.00 0.22 0.00 0.00 35.95 37.24 2jpf h PHE 51 CO 0.00 -0.16 -0.23 1.79 -2.00 0.00 0.00 178.31 177.71 2jpf h THR 52 N 0.34 0.41 0.00 0.88 1.35 -1.72 -3.13 112.91 111.04 2jpf h THR 52 Ca 0.73 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2jpf h THR 52 Cb 1.67 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 2jpf h THR 52 CO -0.59 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 174.90 2jpf h ALA 53 N 1.77 1.00 0.25 6.62 0.00 0.17 -0.09 119.26 128.99 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 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jpf h ALA 53 CO 0.03 0.00 -0.12 -0.09 0.00 0.00 0.00 179.25 179.07 2jpf h ARG 54 N 0.00 -0.33 0.00 0.00 9.65 -1.36 -3.30 114.38 119.04 2jpf h ARG 54 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2jpf h ARG 54 Cb 0.55 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 2jpf h ARG 54 CO 0.00 -0.22 0.00 1.37 2.80 0.00 0.00 179.97 183.92 2jpf h LEU 55 N -0.54 0.00 -0.95 3.80 -0.00 -1.72 -3.22 115.31 112.68 2jpf h LEU 55 Ca -0.03 0.00 0.19 0.00 -0.00 0.00 0.00 57.88 58.03 2jpf h LEU 55 Cb 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.81 2jpf h LEU 55 CO 0.06 0.00 0.54 -0.61 -0.00 0.00 0.00 178.44 178.43 2jpf h GLN 56 N 0.00 0.65 0.00 0.17 4.15 -1.08 0.44 115.11 119.44 2jpf h GLN 56 Ca 0.00 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 2jpf h GLN 56 Cb 0.71 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2jpf h GLN 56 CO 0.00 0.43 -0.82 -0.56 -1.93 0.00 0.00 178.83 175.96 2jpf h GLN 57 N 0.67 0.00 0.20 1.69 3.07 -1.65 -3.36 115.11 115.74 2jpf h GLN 57 Ca 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.28 2jpf h GLN 57 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 2jpf h GLN 57 CO -0.40 0.15 -0.10 1.03 0.09 0.00 0.00 178.83 179.60 2jpf h SER 58 N 0.00 -0.23 -1.18 0.06 0.87 -0.84 -3.26 113.55 108.96 2jpf h SER 58 Ca -0.04 0.01 0.34 0.00 -1.23 0.00 0.00 61.79 60.87 2jpf h SER 58 Cb 1.20 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.17 2jpf h SER 58 CO 0.02 0.20 1.13 0.74 -0.53 0.00 0.00 176.83 178.40 2jpf h THR 59 N -1.01 0.09 -1.53 2.23 2.02 -0.45 0.20 112.91 114.46 2jpf h THR 59 Ca -0.03 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.60 2jpf h THR 59 Cb 0.21 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 2jpf h THR 59 CO 0.05 0.00 1.10 -0.78 0.37 0.00 0.00 175.52 176.25 2jpf h ASP 60 N 0.00 0.01 -0.89 4.18 3.58 -1.70 0.86 116.42 122.46 2jpf h ASP 60 Ca 0.56 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 58.00 2jpf h ASP 60 Cb 2.82 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.84 2jpf h ASP 60 CO -0.01 -0.00 0.48 0.00 -2.88 0.00 0.00 179.24 176.83 2jpf h ALA 61 N 1.24 1.17 0.11 -0.78 0.00 -0.83 0.21 119.26 120.38 2jpf h ALA 61 Ca 0.73 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 55.17 2jpf h ALA 61 Cb 2.92 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 2jpf h ALA 61 CO -0.02 0.66 -1.79 1.25 0.00 0.00 0.00 179.25 179.35 2jpf h LEU 62 N 1.25 0.35 -0.54 0.00 5.85 0.40 -2.15 115.31 120.48 2jpf h LEU 62 Ca 0.31 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2jpf h LEU 62 Cb 0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2jpf h LEU 62 CO -0.05 1.58 0.30 0.22 -0.34 0.00 0.00 178.44 180.15 2jpf h TYR 63 N 0.06 0.74 0.11 1.25 5.03 -0.82 -1.71 116.97 121.63 2jpf h TYR 63 Ca -0.34 -0.02 -0.29 0.00 2.58 0.00 0.00 58.73 60.66 2jpf h TYR 63 Cb 2.04 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 40.07 2jpf h TYR 63 CO 0.06 0.53 -1.46 1.03 -1.32 0.00 0.00 178.16 177.01 2jpf h SER 64 N 0.72 0.36 -0.05 -2.11 0.87 -1.11 -2.80 113.55 109.43 2jpf h SER 64 Ca 0.19 -0.47 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2jpf h SER 64 Cb 0.04 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2jpf h SER 64 CO -0.03 1.39 -0.13 -0.74 -0.53 0.00 0.00 176.83 176.78 2jpf h HIS 65 N 0.06 -0.34 0.28 2.24 -0.00 -1.27 0.75 115.15 116.87 2jpf h HIS 65 Ca -0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.16 2jpf h HIS 65 Cb 1.99 0.16 0.00 0.00 -0.00 0.00 0.00 27.41 29.57 2jpf h HIS 65 CO 0.06 -0.20 -0.13 1.25 -0.00 0.00 0.00 177.93 178.90 2jpf h LEU 66 N -0.20 -0.32 -1.61 0.26 5.85 -1.45 0.53 115.31 118.37 2jpf h LEU 66 Ca 0.06 -0.20 0.17 0.00 0.84 0.00 0.00 57.88 58.76 2jpf h LEU 66 Cb 0.29 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2jpf h LEU 66 CO -0.17 0.16 0.53 -0.08 -0.34 0.00 0.00 178.44 178.54 2jpf h GLU 67 N -0.94 0.35 0.00 1.25 4.81 -1.49 1.16 114.58 119.72 2jpf h GLU 67 Ca -0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2jpf h GLU 67 Cb 0.50 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2jpf h GLU 67 CO 0.06 0.23 -0.16 0.00 -0.73 0.00 0.00 179.01 178.42 2jpf h ALA 68 N 1.64 0.00 0.62 2.92 0.00 0.52 -3.25 119.26 121.70 2jpf h ALA 68 Ca 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2jpf h ALA 68 Cb 0.98 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jpf h ALA 68 CO -0.12 0.16 -0.30 0.37 0.00 0.00 0.00 179.25 179.37 2jpf h GLN 69 N -0.92 -0.80 -1.20 0.00 -0.00 0.23 -2.58 115.11 109.83 2jpf h GLN 69 Ca 0.00 0.05 0.34 0.00 -0.00 0.00 0.00 58.65 59.05 2jpf h GLN 69 Cb 0.16 0.18 -0.07 0.00 0.00 0.00 0.00 27.48 27.76 2jpf h GLN 69 CO 0.00 -0.50 0.84 2.35 0.00 0.00 0.00 178.83 181.51 2jpf h TRP 70 N -0.91 0.21 -0.88 3.99 2.91 0.13 0.46 115.95 121.85 2jpf h TRP 70 Ca -0.08 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.01 2jpf h TRP 70 Cb 0.66 -0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.20 2jpf h TRP 70 CO -0.02 -0.00 0.58 0.00 -1.03 0.00 0.00 178.44 177.97 2jpf h ALA 71 N 1.45 1.53 -0.08 2.65 0.00 -1.49 -0.97 119.26 122.35 2jpf h ALA 71 Ca 0.61 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.52 2jpf h ALA 71 Cb 2.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 2jpf h ALA 71 CO -0.11 0.34 0.62 -0.22 0.00 0.00 0.00 179.25 179.88 2jpf h LYS 72 N 1.01 0.00 0.00 0.00 1.63 -0.12 -0.96 116.57 118.13 2jpf h LYS 72 Ca 0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 2jpf h LYS 72 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2jpf h LYS 72 CO -0.14 0.00 -0.05 1.96 -3.45 0.00 0.00 179.45 177.77 2jpf h GLN 73 N 0.00 0.00 0.00 1.90 1.08 -1.32 -3.47 115.11 113.30 2jpf h GLN 73 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2jpf h GLN 73 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2jpf h GLN 73 CO -0.00 0.00 -0.29 0.72 -0.95 0.00 0.00 178.83 178.31 2jpf n HIS 74 N -4.65 -0.50 -0.71 2.96 8.25 -0.43 -5.04 115.22 115.11 2jpf n HIS 74 Ca -0.01 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2jpf n HIS 74 Cb 0.03 0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 2.22 0.69 0.09 -1.41 0.00 -0.84 -4.94 105.19 101.01 2jpf n GLY 75 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jpf n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jpf n THR 76 N -2.54 1.48 0.20 2.61 5.66 -1.26 -4.54 114.28 115.89 2jpf n THR 76 Ca 0.00 0.12 0.06 0.00 -3.05 0.00 0.00 64.05 61.17 2jpf n THR 76 Cb 0.00 -2.31 0.40 0.00 -1.55 0.00 0.00 70.33 66.87 2jpf n THR 76 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2jpf h PRO 77 N -1.00 0.00 -6.09 1.09 0.13 -1.99 -3.42 132.00 120.72 2jpf h PRO 77 Ca -0.07 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.54 2jpf h PRO 77 Cb 0.91 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2jpf h PRO 77 CO -0.04 0.34 1.32 -1.25 -0.23 0.00 0.00 178.00 178.14 2jpf s PRO 78 N -3.86 2.86 0.07 1.56 0.04 -1.26 -4.72 135.00 129.69 2jpf s PRO 78 Ca -0.01 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.87 2jpf s PRO 78 Cb 0.12 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 2jpf s PRO 78 CO 0.68 -2.45 -0.05 0.99 0.04 0.00 0.00 177.00 176.22 2jpf s THR 79 N 8.31 0.48 0.52 1.26 2.01 -1.26 -4.93 115.64 122.03 2jpf s THR 79 Ca 0.70 -1.77 0.26 0.00 0.31 0.00 0.00 61.69 61.19 2jpf s THR 79 Cb -0.15 -1.46 0.43 0.00 0.01 0.00 0.00 72.50 71.32 2jpf s THR 79 CO 0.25 -0.86 1.94 0.00 -0.69 0.00 0.00 174.62 175.25 2jpf h ALA 80 N 3.24 2.58 0.02 7.40 0.00 -1.95 0.41 119.26 130.97 2jpf h ALA 80 Ca -0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jpf h ALA 80 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jpf h ALA 80 CO 0.62 -0.79 -0.01 0.77 0.00 0.00 0.00 179.25 179.84 2jpf h SER 81 N 0.07 -0.02 0.76 0.00 0.02 -1.96 -3.27 113.55 109.14 2jpf h SER 81 Ca 0.35 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2jpf h SER 81 Cb 1.29 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.84 2jpf h SER 81 CO -0.03 0.78 -0.36 0.44 -1.14 0.00 0.00 176.83 176.52 2jpf h ASP 82 N -0.98 -0.86 -1.40 3.07 3.32 -1.69 -2.73 116.42 115.15 2jpf h ASP 82 Ca -0.00 0.02 0.48 0.00 0.02 0.00 0.00 57.03 57.54 2jpf h ASP 82 Cb 0.64 0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.28 2jpf h ASP 82 CO 0.00 -0.57 0.90 0.58 -1.72 0.00 0.00 179.24 178.44 2jpf h VAL 83 N -1.08 0.03 -0.78 -1.35 2.07 -0.38 2.06 116.25 116.81 2jpf h VAL 83 Ca -0.10 -0.01 0.17 0.00 0.82 0.00 0.00 66.70 67.58 2jpf h VAL 83 Cb 0.79 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 2jpf h VAL 83 CO 0.17 0.00 0.23 0.58 0.02 0.00 0.00 177.57 178.57 2jpf h VAL 84 N 0.02 0.51 0.00 2.57 2.07 -1.53 -3.14 116.25 116.75 2jpf h VAL 84 Ca 0.88 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 68.29 2jpf h VAL 84 Cb 2.84 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2jpf h VAL 84 CO -0.44 0.06 -0.16 0.61 0.02 0.00 0.00 177.57 177.65 2jpf n GLY 85 N -1.35 0.36 0.10 2.17 0.00 0.21 -4.50 105.19 102.18 2jpf n GLY 85 Ca 0.16 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.19 0.00 1.61 -1.53 0.30 -3.42 114.93 112.08 2jpf h MET 86 Ca 0.00 -0.16 0.00 0.00 -3.44 0.00 0.00 59.70 56.10 2jpf h MET 86 Cb 1.04 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 32.13 2jpf h MET 86 CO 0.00 0.83 0.00 -0.35 0.14 0.00 0.00 176.91 177.53 2jpf n PRO 87 N -4.56 -0.45 -0.00 0.39 -0.04 -1.26 -4.93 135.00 124.16 2jpf n PRO 87 Ca -0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 2jpf n PRO 87 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.08 -0.16 0.54 3.07 -1.95 -3.15 115.11 113.38 2jpf h GLN 88 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 58.65 58.79 2jpf h GLN 88 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 2jpf h GLN 88 CO 0.00 0.51 0.95 0.11 0.09 0.00 0.00 178.83 180.49 2jpf h TRP 89 N -0.78 0.00 -0.93 0.06 0.09 -1.94 -1.92 115.95 110.52 2jpf h TRP 89 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 58.89 59.06 2jpf h TRP 89 Cb 0.62 0.00 -0.12 0.00 0.08 0.00 0.00 29.16 29.74 2jpf h TRP 89 CO 0.14 0.00 -0.58 0.37 0.09 0.00 0.00 178.44 178.46 2jpf h GLN 90 N 0.00 -0.04 0.08 0.12 4.15 -1.77 0.25 115.11 117.89 2jpf h GLN 90 Ca 0.08 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.22 2jpf h GLN 90 Cb 1.98 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.66 2jpf h GLN 90 CO -0.00 -0.03 -1.39 1.49 -1.93 0.00 0.00 178.83 176.97 2jpf h GLU 91 N -0.04 0.17 0.18 1.69 4.81 -1.61 -3.08 114.58 116.68 2jpf h GLU 91 Ca 0.16 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2jpf h GLU 91 Cb 0.44 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2jpf h GLU 91 CO -0.90 1.03 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.12 2jpf h TYR 92 N 0.05 -1.03 -0.50 0.92 5.03 -1.28 0.71 116.97 120.87 2jpf h TYR 92 Ca -0.18 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.13 2jpf h TYR 92 Cb 1.95 0.42 -0.02 0.00 1.55 0.00 0.00 36.73 40.64 2jpf h TYR 92 CO 0.04 -0.43 0.23 1.79 -1.32 0.00 0.00 178.16 178.47 2jpf h THR 93 N -0.58 1.20 -0.68 1.81 1.35 -0.72 -2.54 112.91 112.74 2jpf h THR 93 Ca -0.02 -0.56 0.04 0.00 -0.55 0.00 0.00 66.41 65.32 2jpf h THR 93 Cb 0.55 0.65 -0.04 0.00 -1.73 0.00 0.00 68.15 67.58 2jpf h THR 93 CO -0.14 0.22 0.45 0.00 -0.25 0.00 0.00 175.52 175.80 2jpf h ALA 94 N 1.07 1.64 0.00 6.62 0.00 -1.41 -0.25 119.26 126.94 2jpf h ALA 94 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jpf h ALA 94 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jpf h ALA 94 CO -0.02 0.28 -0.19 0.52 0.00 0.00 0.00 179.25 179.83 2jpf h MET 95 N 0.79 0.00 0.00 0.00 2.07 0.87 0.29 114.93 118.95 2jpf h MET 95 Ca 0.28 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.91 2jpf h MET 95 Cb 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.84 2jpf h MET 95 CO -0.08 0.19 -0.06 -0.07 1.07 0.00 0.00 176.91 177.96 2jpf h LEU 96 N 0.00 0.00 -1.50 1.22 3.38 -0.90 0.59 115.31 118.09 2jpf h LEU 96 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jpf h LEU 96 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2jpf h LEU 96 CO 0.02 0.54 -0.00 0.08 0.09 0.00 0.00 178.44 179.17 2jpf h ARG 97 N -1.00 0.31 0.00 1.13 0.11 -1.33 1.90 114.38 115.50 2jpf h ARG 97 Ca -0.00 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 2jpf h ARG 97 Cb 0.08 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2jpf h ARG 97 CO -0.00 0.35 -0.27 1.49 0.10 0.00 0.00 179.97 181.64 2jpf h GLU 98 N 0.31 0.00 0.00 0.08 4.81 -0.56 -3.41 114.58 115.81 2jpf h GLU 98 Ca 0.07 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2jpf h GLU 98 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2jpf h GLU 98 CO 0.01 0.45 -0.30 -0.09 -0.73 0.00 0.00 179.01 178.34 2jpf h ARG 99 N -1.00 0.00 -5.89 1.92 9.65 -0.90 -3.48 114.38 114.67 2jpf h ARG 99 Ca -0.05 0.00 -0.44 0.00 -1.10 0.00 0.00 59.98 58.39 2jpf h ARG 99 Cb 0.58 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.17 2jpf h ARG 99 CO -0.03 0.66 -0.70 0.34 2.80 0.00 0.00 179.97 183.04 2jpf n PHE 100 N -4.62 -2.35 -4.90 2.20 7.35 0.65 -4.97 117.46 110.81 2jpf n PHE 100 Ca -0.12 0.84 -0.33 0.00 -0.76 0.00 0.00 57.45 57.09 2jpf n PHE 100 Cb 0.38 -4.18 -0.15 0.00 0.35 0.00 0.00 39.48 35.88 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jpf s ALA 101 N -3.25 2.48 0.00 3.13 0.00 -1.26 -4.74 121.76 118.12 2jpf s ALA 101 Ca 0.58 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2jpf s ALA 101 Cb -0.28 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.75 2jpf s ALA 101 CO 0.72 0.25 0.00 0.41 0.00 0.00 0.00 175.76 177.14 2jpf n GLY 102 N 3.54 2.77 0.63 0.00 0.00 -1.26 -4.82 105.19 106.06 2jpf n GLY 102 Ca -0.18 -0.68 0.47 0.00 0.00 0.00 0.00 46.02 45.63 2jpf n GLY 102 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2jpf h LEU 103 N 0.00 0.06 -1.30 0.99 8.10 -1.92 0.12 115.31 121.36 2jpf h LEU 103 Ca 0.00 0.04 0.45 0.00 0.11 0.00 0.00 57.88 58.47 2jpf h LEU 103 Cb 0.00 0.03 -0.13 0.00 -0.44 0.00 0.00 40.66 40.13 2jpf h LEU 103 CO 0.00 -0.05 0.84 0.47 -4.11 0.00 0.00 178.44 175.59 2jpf n ASP 104 N -4.16 0.19 -0.28 0.17 8.00 -1.26 -0.57 116.55 118.63 2jpf n ASP 104 Ca 0.41 1.26 0.07 0.00 0.71 0.00 0.00 54.79 57.24 2jpf n ASP 104 Cb 1.79 -0.62 0.15 0.00 -0.02 0.00 0.00 41.12 42.43 2jpf n ASP 104 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2jpf n THR 105 N -4.52 -0.33 -0.92 -3.53 -2.24 0.40 -5.23 114.28 97.92 2jpf n THR 105 Ca 0.37 1.76 0.00 0.00 -2.27 0.00 0.00 64.05 63.92 2jpf n THR 105 Cb 1.47 -2.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 2jpf n THR 105 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80