#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 4.62 0.24 1.97 -0.21 -1.26 -4.95 119.66 120.07 2jpf s GLN 2 Ca 0.00 1.51 -0.05 0.00 0.02 0.00 0.00 55.36 56.84 2jpf s GLN 2 Cb 0.00 -3.38 0.40 0.00 1.00 0.00 0.00 33.01 31.03 2jpf s GLN 2 CO 0.00 0.07 1.77 1.96 -2.12 0.00 0.00 175.29 176.97 2jpf h GLN 3 N 5.96 0.58 -6.20 2.91 1.08 -2.13 -3.42 115.11 113.90 2jpf h GLN 3 Ca -0.42 -0.03 -0.53 0.00 -1.45 0.00 0.00 58.65 56.22 2jpf h GLN 3 Cb 1.21 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 28.46 2jpf h GLN 3 CO 0.74 0.38 -0.54 -0.51 -0.95 0.00 0.00 178.83 177.95 2jpf s LEU 4 N -10.35 3.79 0.91 1.46 1.43 -1.26 -5.12 118.68 109.54 2jpf s LEU 4 Ca -0.12 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2jpf s LEU 4 Cb 0.19 -2.34 0.14 0.00 0.03 0.00 0.00 46.19 44.21 2jpf s LEU 4 CO 0.77 -0.01 1.11 -1.10 0.23 0.00 0.00 176.35 177.35 2jpf s GLN 5 N -3.62 1.12 0.59 1.70 1.11 -1.26 -5.02 119.66 114.28 2jpf s GLN 5 Ca 0.32 0.51 -0.16 0.00 0.01 0.00 0.00 55.36 56.04 2jpf s GLN 5 Cb -0.08 -1.82 -0.04 0.00 -1.01 0.00 0.00 33.01 30.06 2jpf s GLN 5 CO 0.24 -2.26 1.07 -1.21 0.01 0.00 0.00 175.29 173.14 2jpf s GLU 6 N -5.10 3.27 0.76 2.91 2.02 -1.26 -5.05 118.70 116.25 2jpf s GLU 6 Ca 0.64 1.27 -0.08 0.00 0.02 0.00 0.00 54.97 56.81 2jpf s GLU 6 Cb -0.16 -2.02 0.09 0.00 0.10 0.00 0.00 34.13 32.14 2jpf s GLU 6 CO 0.55 -0.85 1.08 -1.01 0.02 0.00 0.00 175.26 175.05 2jpf s HIS 7 N -2.37 2.55 0.02 1.61 3.76 -1.26 -5.10 115.29 114.50 2jpf s HIS 7 Ca 0.65 0.37 0.07 0.00 -0.15 0.00 0.00 55.06 56.00 2jpf s HIS 7 Cb -0.17 -3.36 -0.03 0.00 1.11 0.00 0.00 32.58 30.13 2jpf s HIS 7 CO 0.36 -1.69 -0.20 0.00 -0.85 0.00 0.00 174.74 172.36 2jpf s ALA 8 N -3.38 2.46 -0.22 -1.40 0.00 -1.26 -5.09 121.76 112.88 2jpf s ALA 8 Ca 0.63 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 2jpf s ALA 8 Cb -0.09 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2jpf s ALA 8 CO 0.46 0.55 1.61 -1.25 0.00 0.00 0.00 175.76 177.14 2jpf s PRO 9 N -1.14 3.81 0.24 0.00 0.04 -1.26 -4.90 135.00 131.80 2jpf s PRO 9 Ca 0.13 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 2jpf s PRO 9 Cb -0.10 -4.03 0.35 0.00 0.04 0.00 0.00 34.50 30.75 2jpf s PRO 9 CO 0.03 -1.28 1.47 0.43 0.04 0.00 0.00 177.00 177.69 2jpf n SER 10 N 8.39 -0.46 -4.71 6.66 7.64 -1.26 -4.27 113.62 125.61 2jpf n SER 10 Ca 0.19 1.63 -0.42 0.00 1.01 0.00 0.00 58.87 61.28 2jpf n SER 10 Cb 0.45 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 2jpf n SER 10 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2jpf s HIS 11 N -6.06 2.92 0.50 1.43 -3.43 -1.26 -5.00 115.29 104.38 2jpf s HIS 11 Ca -0.14 0.55 -0.04 0.00 -0.80 0.00 0.00 55.06 54.63 2jpf s HIS 11 Cb 0.23 -3.94 -0.02 0.00 -1.43 0.00 0.00 32.58 27.41 2jpf s HIS 11 CO 0.71 -3.55 0.79 0.00 -2.00 0.00 0.00 174.74 170.69 2jpf s ALA 12 N 1.47 3.43 -0.66 -1.38 0.00 -1.26 -4.99 121.76 118.37 2jpf s ALA 12 Ca 0.71 -0.63 0.25 0.00 0.00 0.00 0.00 51.96 52.28 2jpf s ALA 12 Cb -0.43 -2.52 0.48 0.00 0.00 0.00 0.00 23.12 20.65 2jpf s ALA 12 CO 0.31 -0.45 1.46 -0.91 0.00 0.00 0.00 175.76 176.18 2jpf h ASN 13 N 0.17 0.00 -0.12 0.00 2.35 -1.94 -3.29 115.58 112.75 2jpf h ASN 13 Ca -0.47 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2jpf h ASN 13 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2jpf h ASN 13 CO 0.61 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 176.46 2jpf n LEU 14 N -2.18 2.25 0.08 1.61 -0.00 -1.26 -4.70 117.00 112.79 2jpf n LEU 14 Ca 0.04 -1.89 -0.13 0.00 -0.00 0.00 0.00 56.01 54.03 2jpf n LEU 14 Cb 0.44 -0.08 -0.07 0.00 -0.00 0.00 0.00 43.42 43.71 2jpf n LEU 14 CO 0.35 0.56 0.82 -0.78 -0.00 0.00 0.00 177.39 178.33 2jpf h ASP 15 N 0.80 -0.10 -3.22 1.45 3.58 -1.97 -3.44 116.42 113.52 2jpf h ASP 15 Ca 0.00 -0.03 -0.40 0.00 0.42 0.00 0.00 57.03 57.01 2jpf h ASP 15 Cb 0.54 0.03 0.21 0.00 1.72 0.00 0.00 39.33 41.83 2jpf h ASP 15 CO 0.00 -0.04 -0.03 0.68 -2.88 0.00 0.00 179.24 176.98 2jpf s VAL 16 N -6.01 1.49 0.33 2.25 -7.23 -1.26 -5.08 120.40 104.90 2jpf s VAL 16 Ca -0.14 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.08 2jpf s VAL 16 Cb 0.05 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2jpf s VAL 16 CO 0.65 0.00 0.19 -1.59 -0.31 0.00 0.00 175.10 174.04 2jpf s LYS 17 N -5.01 1.71 1.16 4.82 0.00 -1.26 -5.12 119.74 116.03 2jpf s LYS 17 Ca 0.69 -1.99 -0.17 0.00 0.00 0.00 0.00 55.97 54.50 2jpf s LYS 17 Cb -0.15 -0.06 0.24 0.00 0.00 0.00 0.00 37.83 37.85 2jpf s LYS 17 CO 0.59 -0.52 0.50 0.91 0.00 0.00 0.00 175.35 176.83 2jpf n TRP 18 N -0.66 -2.69 1.31 1.78 8.01 -1.26 -4.79 117.44 119.15 2jpf n TRP 18 Ca 0.02 -0.25 0.09 0.00 -1.31 0.00 0.00 57.50 56.05 2jpf n TRP 18 Cb 0.64 -1.39 0.55 0.00 -2.01 0.00 0.00 31.31 29.10 2jpf n TRP 18 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2jpf n LEU 19 N -2.77 0.00 -0.26 -0.99 4.32 -1.26 -3.97 117.00 112.07 2jpf n LEU 19 Ca 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.94 2jpf n LEU 19 Cb 0.44 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.15 2jpf n LEU 19 CO 0.31 0.00 0.49 -0.78 -1.22 0.00 0.00 177.39 176.20 2jpf h ASP 20 N 0.00 -1.99 -0.57 -1.43 3.58 -1.87 -3.36 116.42 110.79 2jpf h ASP 20 Ca 0.00 0.28 -0.31 0.00 0.42 0.00 0.00 57.03 57.43 2jpf h ASP 20 Cb 0.00 0.85 -0.23 0.00 1.72 0.00 0.00 39.33 41.67 2jpf h ASP 20 CO 0.00 -0.33 -0.67 0.61 -2.88 0.00 0.00 179.24 175.97 2jpf n GLY 21 N -1.32 1.52 0.19 -0.78 0.00 -1.25 -4.96 105.19 98.58 2jpf n GLY 21 Ca -0.01 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 2jpf n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jpf h LEU 22 N 2.86 0.88 -1.29 0.99 3.38 -1.72 -3.25 115.31 117.15 2jpf h LEU 22 Ca -0.08 -0.73 0.41 0.00 0.09 0.00 0.00 57.88 57.58 2jpf h LEU 22 Cb 1.10 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 2jpf h LEU 22 CO 0.22 1.48 0.88 -2.11 0.09 0.00 0.00 178.44 179.00 2jpf n ARG 23 N -3.91 -0.02 -0.03 1.13 1.85 -1.26 -0.24 116.66 114.17 2jpf n ARG 23 Ca -0.10 0.93 -0.12 0.00 -1.00 0.00 0.00 57.85 57.56 2jpf n ARG 23 Cb 0.84 -1.96 -0.08 0.00 -1.05 0.00 0.00 32.46 30.21 2jpf n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jpf h ALA 24 N 1.06 -0.77 -3.00 2.89 0.00 -1.99 -3.42 119.26 114.03 2jpf h ALA 24 Ca 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2jpf h ALA 24 Cb 2.56 0.95 0.00 0.00 0.00 0.00 0.00 17.79 21.30 2jpf h ALA 24 CO -0.22 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 178.50 2jpf n GLY 25 N -1.33 0.16 3.92 0.00 0.00 0.66 -4.76 105.19 103.83 2jpf n GLY 25 Ca -0.04 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2jpf n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jpf n SER 26 N 0.00 -3.34 0.01 1.61 3.41 -1.26 -4.85 113.62 109.19 2jpf n SER 26 Ca 0.00 -0.84 -0.00 0.00 -0.26 0.00 0.00 58.87 57.76 2jpf n SER 26 Cb 0.00 -3.68 0.29 0.00 -0.26 0.00 0.00 64.21 60.56 2jpf n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jpf h MET 27 N -1.94 0.49 0.00 4.33 -0.00 -1.92 -3.36 114.93 112.54 2jpf h MET 27 Ca -0.59 -0.12 0.00 0.00 -0.00 0.00 0.00 59.70 58.99 2jpf h MET 27 Cb 1.37 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 2jpf h MET 27 CO 0.66 0.56 -0.39 0.00 -0.00 0.00 0.00 176.91 177.74 2jpf n ALA 28 N -2.48 0.34 -2.45 -3.00 0.00 -1.26 -5.07 120.51 106.58 2jpf n ALA 28 Ca 0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 2jpf n ALA 28 Cb 0.27 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 -6.41 1.93 -0.60 0.00 1.43 -1.26 -5.09 118.68 108.68 2jpf s LEU 29 Ca -0.11 -1.61 -0.28 0.00 -1.03 0.00 0.00 54.13 51.10 2jpf s LEU 29 Cb 0.02 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.21 2jpf s LEU 29 CO 0.17 -0.88 1.34 -1.10 0.23 0.00 0.00 176.35 176.11 2jpf s GLN 30 N -3.75 3.33 0.44 1.70 -1.52 -1.26 -4.36 119.66 114.23 2jpf s GLN 30 Ca 0.29 0.27 0.23 0.00 -1.95 0.00 0.00 55.36 54.20 2jpf s GLN 30 Cb 0.04 -4.11 0.37 0.00 -0.22 0.00 0.00 33.01 29.09 2jpf s GLN 30 CO 0.16 -1.92 1.62 0.78 -0.25 0.00 0.00 175.29 175.68 2jpf h GLY 31 N 12.83 0.00 0.68 3.09 0.00 -1.96 -1.78 103.07 115.93 2jpf h GLY 31 Ca -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2jpf h GLY 31 CO 1.20 0.00 -0.25 1.29 0.00 0.00 0.00 176.54 178.78 2jpf h ASP 32 N 0.00 -0.59 0.71 0.19 2.03 -1.93 -3.05 116.42 113.78 2jpf h ASP 32 Ca 0.00 -0.06 -0.23 0.00 -0.73 0.00 0.00 57.03 56.01 2jpf h ASP 32 Cb 0.99 0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2jpf h ASP 32 CO 0.00 -0.22 -1.07 -0.37 -1.03 0.00 0.00 179.24 176.55 2jpf h VAL 33 N -1.03 1.56 -0.95 4.15 -1.51 -2.00 -3.00 116.25 113.47 2jpf h VAL 33 Ca -0.07 -3.03 0.20 0.00 -1.23 0.00 0.00 66.70 62.57 2jpf h VAL 33 Cb 0.62 2.78 -0.11 0.00 -2.13 0.00 0.00 31.29 32.44 2jpf h VAL 33 CO 0.12 0.88 0.52 0.50 -1.23 0.00 0.00 177.57 178.35 2jpf h LYS 34 N 0.07 0.58 0.00 5.19 3.64 -1.40 0.17 116.57 124.81 2jpf h LYS 34 Ca -0.07 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 2jpf h LYS 34 Cb 1.78 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 2jpf h LYS 34 CO 0.16 0.38 -0.80 -0.39 -2.27 0.00 0.00 179.45 176.53 2jpf h VAL 35 N 0.60 0.21 -1.11 2.00 -1.51 -1.60 -3.35 116.25 111.48 2jpf h VAL 35 Ca 0.57 -1.35 0.38 0.00 -1.23 0.00 0.00 66.70 65.06 2jpf h VAL 35 Cb 0.98 1.83 -0.14 0.00 -2.13 0.00 0.00 31.29 31.82 2jpf h VAL 35 CO -0.44 0.12 0.67 -0.25 -1.23 0.00 0.00 177.57 176.43 2jpf h TRP 36 N 0.00 0.75 -0.06 5.19 2.91 -0.51 0.43 115.95 124.66 2jpf h TRP 36 Ca -0.03 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 2jpf h TRP 36 Cb 1.17 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.63 2jpf h TRP 36 CO 0.00 -0.23 -0.18 0.00 -1.03 0.00 0.00 178.44 176.99 2jpf h MET 37 N 0.18 0.23 0.00 2.65 -0.00 -1.69 -3.10 114.93 113.20 2jpf h MET 37 Ca 0.78 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.70 60.30 2jpf h MET 37 Cb 2.09 0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 33.71 2jpf h MET 37 CO -0.55 0.79 -0.05 -0.56 -0.00 0.00 0.00 176.91 176.54 2jpf h GLN 38 N -0.29 0.00 -0.24 -0.10 -0.00 -0.53 0.19 115.11 114.14 2jpf h GLN 38 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.57 2jpf h GLN 38 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.28 2jpf h GLN 38 CO 0.04 0.05 -0.14 -0.91 -0.00 0.00 0.00 178.83 177.87 2jpf h ASN 39 N 0.00 0.54 0.04 0.06 4.21 -0.57 -3.11 115.58 116.75 2jpf h ASN 39 Ca -0.00 -0.42 -0.06 0.00 1.21 0.00 0.00 56.30 57.03 2jpf h ASN 39 Cb 0.11 -0.15 0.01 0.00 -1.12 0.00 0.00 38.32 37.17 2jpf h ASN 39 CO 0.01 0.84 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.68 2jpf h LEU 40 N 0.24 0.15 -1.21 1.61 3.38 -1.35 -3.25 115.31 114.88 2jpf h LEU 40 Ca 0.05 -0.97 0.14 0.00 0.09 0.00 0.00 57.88 57.20 2jpf h LEU 40 Cb 0.65 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2jpf h LEU 40 CO 0.04 1.10 0.83 -0.08 0.09 0.00 0.00 178.44 180.43 2jpf h GLU 41 N -0.79 0.00 0.08 1.13 4.57 -0.74 1.34 114.58 120.17 2jpf h GLU 41 Ca -0.04 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.98 2jpf h GLU 41 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2jpf h GLU 41 CO 0.05 0.00 -0.79 0.22 -1.18 0.00 0.00 179.01 177.31 2jpf h ASP 42 N 0.00 0.26 0.00 1.04 1.82 -1.59 -3.30 116.42 114.66 2jpf h ASP 42 Ca 0.23 -0.89 -0.05 0.00 -0.39 0.00 0.00 57.03 55.93 2jpf h ASP 42 Cb 1.90 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.81 2jpf h ASP 42 CO -0.00 1.35 -0.34 0.25 -1.61 0.00 0.00 179.24 178.89 2jpf h LEU 43 N -0.60 0.00 -1.30 2.28 7.12 -0.10 -3.35 115.31 119.36 2jpf h LEU 43 Ca -0.17 -0.45 0.42 0.00 0.13 0.00 0.00 57.88 57.82 2jpf h LEU 43 Cb 1.45 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.45 2jpf h LEU 43 CO 0.04 0.92 0.78 -0.74 -0.13 0.00 0.00 178.44 179.31 2jpf h HIS 44 N -1.00 0.61 -0.97 1.25 2.76 0.15 0.63 115.15 118.58 2jpf h HIS 44 Ca -0.07 0.03 0.26 0.00 -2.20 0.00 0.00 60.37 58.38 2jpf h HIS 44 Cb 0.69 -0.15 -0.13 0.00 1.55 0.00 0.00 27.41 29.37 2jpf h HIS 44 CO 0.08 -0.25 0.53 0.00 -1.30 0.00 0.00 177.93 176.99 2jpf h THR 45 N 0.09 0.46 0.00 6.26 1.03 -1.69 -3.05 112.91 116.02 2jpf h THR 45 Ca 0.82 -0.16 -0.46 0.00 -0.01 0.00 0.00 66.41 66.60 2jpf h THR 45 Cb 2.45 -0.05 -0.07 0.00 -1.07 0.00 0.00 68.15 69.41 2jpf h THR 45 CO -0.49 0.09 -2.51 -1.14 -0.01 0.00 0.00 175.52 171.45 2jpf n ARG 46 N -4.97 0.59 -3.86 0.00 0.63 0.20 -4.94 116.66 104.30 2jpf n ARG 46 Ca 0.27 0.27 -0.28 0.00 -0.92 0.00 0.00 57.85 57.19 2jpf n ARG 46 Cb 0.78 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 32.02 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 -2.50 1.28 0.36 -0.14 6.06 -0.00 -5.01 118.95 119.00 2jpf s ARG 47 Ca -0.39 -0.43 0.15 0.00 -2.50 0.00 0.00 55.73 52.56 2jpf s ARG 47 Cb 0.15 -1.89 0.69 0.00 0.06 0.00 0.00 34.95 33.95 2jpf s ARG 47 CO 0.49 -0.43 1.77 -1.00 -2.50 0.00 0.00 175.30 173.63 2jpf h PRO 48 N 8.15 0.00 0.07 5.12 0.13 -1.80 -2.78 132.00 140.90 2jpf h PRO 48 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jpf h PRO 48 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jpf h PRO 48 CO 0.38 0.41 -0.04 0.22 -0.23 0.00 0.00 178.00 178.74 2jpf h ASP 49 N 0.00 -0.09 0.30 1.44 1.82 -1.95 -3.11 116.42 114.84 2jpf h ASP 49 Ca -0.00 -0.50 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2jpf h ASP 49 Cb 0.80 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.84 2jpf h ASP 49 CO 0.05 0.51 0.00 1.21 -1.61 0.00 0.00 179.24 179.40 2jpf n GLU 50 N -4.85 0.13 -0.33 0.28 2.13 -1.22 -3.05 120.64 113.73 2jpf n GLU 50 Ca -0.08 0.52 0.26 0.00 0.66 0.00 0.00 57.16 58.52 2jpf n GLU 50 Cb 0.29 -1.84 0.50 0.00 0.27 0.00 0.00 31.44 30.66 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 0.78 -0.40 4.31 -0.00 -1.42 0.75 116.94 120.97 2jpf h PHE 51 Ca 0.00 0.04 -0.11 0.00 -0.00 0.00 0.00 57.97 57.90 2jpf h PHE 51 Cb 0.15 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 35.91 2jpf h PHE 51 CO 0.00 -0.33 -0.18 0.00 -0.00 0.00 0.00 178.31 177.80 2jpf h THR 52 N 0.15 1.28 0.00 0.88 1.03 -1.77 -2.88 112.91 111.60 2jpf h THR 52 Ca 0.77 -1.31 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 2jpf h THR 52 Cb 1.87 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 70.23 2jpf h THR 52 CO -0.71 0.44 0.66 0.00 -0.01 0.00 0.00 175.52 175.90 2jpf h ALA 53 N 0.82 1.49 0.03 0.00 0.00 0.31 1.43 119.26 123.34 2jpf h ALA 53 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jpf h ALA 53 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jpf h ALA 53 CO 0.06 -0.49 -0.01 -0.09 0.00 0.00 0.00 179.25 178.71 2jpf h ARG 54 N 0.00 -0.04 0.00 0.00 9.65 -1.52 -3.38 114.38 119.09 2jpf h ARG 54 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jpf h ARG 54 Cb 1.31 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 2jpf h ARG 54 CO 0.00 -0.02 -0.18 1.37 2.80 0.00 0.00 179.97 183.94 2jpf h LEU 55 N -0.37 0.00 -1.71 3.80 -0.00 -1.28 -3.32 115.31 112.43 2jpf h LEU 55 Ca -0.00 -0.05 0.39 0.00 -0.00 0.00 0.00 57.88 58.22 2jpf h LEU 55 Cb 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.64 2jpf h LEU 55 CO 0.01 0.03 1.14 0.06 -0.00 0.00 0.00 178.44 179.67 2jpf h GLN 56 N 0.00 0.00 0.18 0.17 3.07 0.17 1.39 115.11 120.09 2jpf h GLN 56 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.43 2jpf h GLN 56 Cb 0.77 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.35 2jpf h GLN 56 CO 0.00 0.00 -1.41 1.96 0.09 0.00 0.00 178.83 179.47 2jpf h GLN 57 N 0.00 0.39 0.30 0.06 4.20 -1.80 -3.29 115.11 114.98 2jpf h GLN 57 Ca 0.64 -0.66 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2jpf h GLN 57 Cb 2.91 0.25 0.00 0.00 0.30 0.00 0.00 27.48 30.94 2jpf h GLN 57 CO -0.01 1.31 -0.15 0.77 -0.67 0.00 0.00 178.83 180.08 2jpf h SER 58 N 0.11 -0.34 -0.24 1.46 0.02 0.16 -3.17 113.55 111.54 2jpf h SER 58 Ca -0.21 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2jpf h SER 58 Cb 2.07 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.69 2jpf h SER 58 CO 0.23 -0.02 0.85 0.00 -1.14 0.00 0.00 176.83 176.75 2jpf h THR 59 N -0.86 0.03 -0.49 -2.27 1.03 -1.27 0.31 112.91 109.39 2jpf h THR 59 Ca -0.04 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.40 2jpf h THR 59 Cb 0.31 0.21 -0.04 0.00 -1.07 0.00 0.00 68.15 67.56 2jpf h THR 59 CO 0.07 0.00 0.26 -0.78 -0.01 0.00 0.00 175.52 175.06 2jpf h ASP 60 N 0.00 0.39 -0.22 0.00 3.58 -1.61 0.46 116.42 119.02 2jpf h ASP 60 Ca 0.11 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.62 2jpf h ASP 60 Cb 1.81 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.77 2jpf h ASP 60 CO -0.00 0.27 0.02 0.00 -2.88 0.00 0.00 179.24 176.65 2jpf h ALA 61 N 1.25 0.21 -0.14 -0.78 0.00 -0.53 0.20 119.26 119.48 2jpf h ALA 61 Ca 0.21 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2jpf h ALA 61 Cb 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jpf h ALA 61 CO -0.13 -0.41 -0.48 1.25 0.00 0.00 0.00 179.25 179.48 2jpf h LEU 62 N 0.10 0.38 -0.11 0.00 6.46 -1.58 0.17 115.31 120.72 2jpf h LEU 62 Ca 0.10 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2jpf h LEU 62 Cb 0.12 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2jpf h LEU 62 CO -0.16 0.80 -0.00 0.22 -0.62 0.00 0.00 178.44 178.68 2jpf h TYR 63 N 0.28 0.21 -0.08 1.25 5.03 0.49 -1.74 116.97 122.41 2jpf h TYR 63 Ca 0.02 -0.04 -0.21 0.00 2.58 0.00 0.00 58.73 61.08 2jpf h TYR 63 Cb 0.94 -0.05 0.01 0.00 1.55 0.00 0.00 36.73 39.18 2jpf h TYR 63 CO 0.02 0.44 -0.77 1.03 -1.32 0.00 0.00 178.16 177.57 2jpf h SER 64 N -0.09 0.82 -0.78 -2.11 0.87 -0.61 -2.04 113.55 109.61 2jpf h SER 64 Ca 0.03 -0.68 0.07 0.00 -1.23 0.00 0.00 61.79 59.98 2jpf h SER 64 Cb 0.36 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 2jpf h SER 64 CO 0.01 1.37 0.46 -0.74 -0.53 0.00 0.00 176.83 177.40 2jpf h HIS 65 N 0.33 0.85 0.33 2.24 -0.00 -0.69 0.57 115.15 118.79 2jpf h HIS 65 Ca -0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 2jpf h HIS 65 Cb 1.42 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 2jpf h HIS 65 CO 0.10 0.41 -0.16 1.25 -0.00 0.00 0.00 177.93 179.53 2jpf h LEU 66 N 0.83 -0.38 -1.97 0.26 5.85 -1.35 0.35 115.31 118.91 2jpf h LEU 66 Ca 0.35 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.14 2jpf h LEU 66 Cb 0.22 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2jpf h LEU 66 CO -0.19 0.08 0.34 -0.08 -0.34 0.00 0.00 178.44 178.25 2jpf h GLU 67 N -1.07 0.03 0.00 1.25 4.81 -1.29 1.31 114.58 119.62 2jpf h GLU 67 Ca -0.05 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jpf h GLU 67 Cb 0.42 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2jpf h GLU 67 CO 0.07 0.02 -0.16 0.00 -0.73 0.00 0.00 179.01 178.22 2jpf h ALA 68 N 1.76 0.00 0.41 2.92 0.00 0.13 -3.19 119.26 121.29 2jpf h ALA 68 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jpf h ALA 68 Cb 0.87 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jpf h ALA 68 CO -0.01 0.15 -0.20 0.37 0.00 0.00 0.00 179.25 179.57 2jpf h GLN 69 N -1.00 -0.53 -0.32 0.00 -0.00 -0.11 -3.01 115.11 110.14 2jpf h GLN 69 Ca -0.00 0.04 0.09 0.00 -0.00 0.00 0.00 58.65 58.78 2jpf h GLN 69 Cb 0.16 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.75 2jpf h GLN 69 CO -0.00 -0.23 0.44 2.35 0.00 0.00 0.00 178.83 181.40 2jpf h TRP 70 N -0.97 0.00 -0.76 3.99 7.01 0.16 -1.85 115.95 123.53 2jpf h TRP 70 Ca -0.06 0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.12 2jpf h TRP 70 Cb 0.55 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.48 2jpf h TRP 70 CO 0.02 0.00 -0.00 0.00 -2.79 0.00 0.00 178.44 175.67 2jpf h ALA 71 N 1.41 0.78 -1.69 2.65 0.00 -1.43 0.41 119.26 121.39 2jpf h ALA 71 Ca 0.15 0.25 0.49 0.00 0.00 0.00 0.00 54.91 55.80 2jpf h ALA 71 Cb 1.04 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2jpf h ALA 71 CO -0.00 -0.43 1.23 0.87 0.00 0.00 0.00 179.25 180.93 2jpf h LYS 72 N 0.10 0.00 0.42 0.00 6.56 -1.50 0.99 116.57 123.14 2jpf h LYS 72 Ca 0.42 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.00 2jpf h LYS 72 Cb 0.73 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.37 2jpf h LYS 72 CO -0.68 0.00 -0.51 1.96 -2.06 0.00 0.00 179.45 178.16 2jpf h GLN 73 N 0.00 -0.92 0.00 3.15 1.08 -0.39 -3.43 115.11 114.60 2jpf h GLN 73 Ca 0.80 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 58.07 2jpf h GLN 73 Cb 3.26 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 30.90 2jpf h GLN 73 CO -0.01 -0.61 -0.24 0.72 -0.95 0.00 0.00 178.83 177.74 2jpf n HIS 74 N -5.55 -0.47 0.00 2.96 8.25 0.15 -5.06 115.22 115.50 2jpf n HIS 74 Ca -0.11 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2jpf n HIS 74 Cb 0.45 0.36 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 2.02 2.33 0.13 -1.41 0.00 -0.06 -4.87 105.19 103.33 2jpf n GLY 75 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.19 1.68 0.20 2.61 5.66 -1.26 -4.24 114.28 118.73 2jpf n THR 76 Ca 0.00 -0.40 0.06 0.00 -3.05 0.00 0.00 64.05 60.66 2jpf n THR 76 Cb 0.00 -1.86 0.40 0.00 -1.55 0.00 0.00 70.33 67.33 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 -0.38 0.00 -5.95 1.09 0.13 -1.95 -3.42 132.00 121.53 2jpf h PRO 77 Ca -0.40 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.25 2jpf h PRO 77 Cb 1.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.83 2jpf h PRO 77 CO -0.05 0.34 1.29 -1.25 -0.23 0.00 0.00 178.00 178.10 2jpf s PRO 78 N -3.86 2.61 0.05 1.56 0.04 -1.26 -4.23 135.00 129.92 2jpf s PRO 78 Ca -0.01 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.27 2jpf s PRO 78 Cb 0.12 -4.46 0.09 0.00 0.04 0.00 0.00 34.50 30.29 2jpf s PRO 78 CO 0.68 -2.81 0.87 0.99 0.04 0.00 0.00 177.00 176.76 2jpf s THR 79 N 9.22 0.00 0.62 1.26 2.01 -1.26 -4.95 115.64 122.54 2jpf s THR 79 Ca 0.68 -0.16 0.24 0.00 0.31 0.00 0.00 61.69 62.76 2jpf s THR 79 Cb -0.12 -1.22 0.32 0.00 0.01 0.00 0.00 72.50 71.48 2jpf s THR 79 CO 0.18 0.00 1.54 0.00 -0.69 0.00 0.00 174.62 175.66 2jpf h ALA 80 N 2.00 2.33 0.50 7.40 0.00 -1.94 0.25 119.26 129.80 2jpf h ALA 80 Ca -0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2jpf h ALA 80 Cb 1.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jpf h ALA 80 CO 0.30 -1.10 -0.24 0.77 0.00 0.00 0.00 179.25 178.99 2jpf h SER 81 N 0.00 -0.57 0.01 0.00 0.02 -1.94 -2.93 113.55 108.14 2jpf h SER 81 Ca 0.26 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2jpf h SER 81 Cb 1.89 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.58 2jpf h SER 81 CO -0.00 -0.16 -0.00 0.44 -1.14 0.00 0.00 176.83 175.96 2jpf h ASP 82 N -1.10 -0.01 -0.57 3.07 3.32 -1.16 -3.16 116.42 116.80 2jpf h ASP 82 Ca -0.07 -0.67 0.17 0.00 0.02 0.00 0.00 57.03 56.48 2jpf h ASP 82 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2jpf h ASP 82 CO 0.11 0.67 0.77 0.58 -1.72 0.00 0.00 179.24 179.66 2jpf h VAL 83 N -0.70 0.16 -0.81 -1.35 2.07 -0.76 0.86 116.25 115.71 2jpf h VAL 83 Ca -0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 2jpf h VAL 83 Cb 0.68 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2jpf h VAL 83 CO 0.00 0.00 0.53 1.62 0.02 0.00 0.00 177.57 179.74 2jpf h VAL 84 N 0.00 0.84 0.00 2.57 3.04 -1.48 -3.25 116.25 117.98 2jpf h VAL 84 Ca 0.27 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 2jpf h VAL 84 Cb 1.82 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2jpf h VAL 84 CO -0.00 0.10 0.00 0.61 -1.01 0.00 0.00 177.57 177.27 2jpf n GLY 85 N -1.47 0.62 0.13 3.17 0.00 0.96 -4.67 105.19 103.92 2jpf n GLY 85 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 0.32 -7.40 1.61 4.05 0.51 -3.45 114.93 110.57 2jpf h MET 86 Ca 0.00 -0.06 -0.41 0.00 -0.28 0.00 0.00 59.70 58.95 2jpf h MET 86 Cb 0.42 -0.05 0.20 0.00 -0.80 0.00 0.00 31.60 31.37 2jpf h MET 86 CO 0.00 0.40 0.12 -1.25 0.23 0.00 0.00 176.91 176.41 2jpf s PRO 87 N -5.47 -1.55 0.02 0.39 0.04 -1.26 -4.99 135.00 122.18 2jpf s PRO 87 Ca -0.14 -0.18 -0.04 0.00 0.04 0.00 0.00 61.00 60.69 2jpf s PRO 87 Cb 0.07 -1.57 -0.28 0.00 0.04 0.00 0.00 34.50 32.77 2jpf s PRO 87 CO 0.71 -3.91 0.91 -0.56 0.04 0.00 0.00 177.00 174.20 2jpf h GLN 88 N -2.72 0.26 -1.29 4.56 3.07 -1.95 -3.33 115.11 113.72 2jpf h GLN 88 Ca -0.43 -0.45 0.42 0.00 0.09 0.00 0.00 58.65 58.29 2jpf h GLN 88 Cb 1.29 0.17 -0.13 0.00 0.08 0.00 0.00 27.48 28.89 2jpf h GLN 88 CO 0.29 1.14 0.83 0.11 0.09 0.00 0.00 178.83 181.30 2jpf h TRP 89 N 0.07 0.54 -0.81 0.06 5.08 -1.95 1.22 115.95 120.16 2jpf h TRP 89 Ca -0.22 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 59.73 2jpf h TRP 89 Cb 2.01 -0.13 -0.04 0.00 -3.00 0.00 0.00 29.16 28.00 2jpf h TRP 89 CO 0.06 -0.19 0.35 0.37 -1.28 0.00 0.00 178.44 177.76 2jpf h GLN 90 N 0.11 1.19 0.00 0.12 -0.00 -1.83 -0.17 115.11 114.53 2jpf h GLN 90 Ca 0.80 -0.20 -0.03 0.00 -0.00 0.00 0.00 58.65 59.23 2jpf h GLN 90 Cb 2.48 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 29.75 2jpf h GLN 90 CO -0.41 0.94 -0.15 1.49 0.00 0.00 0.00 178.83 180.70 2jpf h GLU 91 N 1.16 0.00 0.45 1.69 4.81 0.11 -3.29 114.58 119.52 2jpf h GLU 91 Ca 0.27 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2jpf h GLU 91 Cb 0.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2jpf h GLU 91 CO -0.03 0.94 -0.50 1.88 -0.73 0.00 0.00 179.01 180.57 2jpf h TYR 92 N -1.00 -1.40 -1.48 0.92 -1.99 -0.70 -1.07 116.97 110.25 2jpf h TYR 92 Ca -0.04 0.01 0.43 0.00 2.00 0.00 0.00 58.73 61.13 2jpf h TYR 92 Cb 0.98 0.55 -0.06 0.00 2.00 0.00 0.00 36.73 40.20 2jpf h TYR 92 CO 0.24 -0.65 1.07 0.00 -0.00 0.00 0.00 178.16 178.82 2jpf h THR 93 N -0.96 0.26 -0.10 -2.88 1.03 -1.20 0.49 112.91 109.54 2jpf h THR 93 Ca -0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 66.24 2jpf h THR 93 Cb 0.85 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 2jpf h THR 93 CO -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 175.52 175.09 2jpf h ALA 94 N 1.25 0.18 -0.08 0.00 0.00 -1.29 -3.07 119.26 116.26 2jpf h ALA 94 Ca 0.70 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2jpf h ALA 94 Cb 2.84 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.60 2jpf h ALA 94 CO -0.01 0.23 0.16 1.98 0.00 0.00 0.00 179.25 181.62 2jpf h MET 95 N -0.04 0.00 0.53 0.00 -1.53 0.60 0.28 114.93 114.76 2jpf h MET 95 Ca -0.01 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 2jpf h MET 95 Cb 0.96 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 32.01 2jpf h MET 95 CO 0.07 0.00 -0.25 -0.07 0.14 0.00 0.00 176.91 176.80 2jpf h LEU 96 N 0.00 -0.60 -0.14 3.39 3.38 -1.38 0.35 115.31 120.31 2jpf h LEU 96 Ca 0.04 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2jpf h LEU 96 Cb 0.37 0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2jpf h LEU 96 CO -0.00 -0.20 -0.55 0.08 0.09 0.00 0.00 178.44 177.86 2jpf h ARG 97 N -1.11 0.62 0.25 1.13 0.11 -1.51 0.67 114.38 114.55 2jpf h ARG 97 Ca -0.07 -0.48 -0.01 0.00 0.10 0.00 0.00 59.98 59.51 2jpf h ARG 97 Cb 0.60 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2jpf h ARG 97 CO 0.12 1.10 -0.12 1.49 0.10 0.00 0.00 179.97 182.66 2jpf h GLU 98 N 0.28 -0.33 -0.61 0.08 4.57 -0.58 -2.95 114.58 115.04 2jpf h GLU 98 Ca -0.03 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2jpf h GLU 98 Cb 1.18 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 2jpf h GLU 98 CO 0.12 -0.16 0.07 -2.13 -1.18 0.00 0.00 179.01 175.73 2jpf n ARG 99 N -5.20 4.58 -0.33 1.92 3.00 0.11 -4.55 116.66 116.19 2jpf n ARG 99 Ca -0.10 -3.15 0.14 0.00 -0.00 0.00 0.00 57.85 54.74 2jpf n ARG 99 Cb 0.18 -2.25 0.36 0.00 0.00 0.00 0.00 32.46 30.75 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 3.62 0.95 -1.03 -0.14 -0.00 0.56 0.12 116.94 121.02 2jpf h PHE 100 Ca 0.07 0.03 0.28 0.00 -0.00 0.00 0.00 57.97 58.35 2jpf h PHE 100 Cb 2.07 -0.29 -0.06 0.00 -0.00 0.00 0.00 35.95 37.68 2jpf h PHE 100 CO 1.14 0.24 0.71 0.00 -0.00 0.00 0.00 178.31 180.40 2jpf h ALA 101 N 1.62 2.72 -1.40 12.09 0.00 -1.82 0.14 119.26 132.62 2jpf h ALA 101 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2jpf h ALA 101 Cb 0.93 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jpf h ALA 101 CO -0.32 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 178.30 2jpf n GLY 102 N -1.65 0.33 0.63 0.00 0.00 0.42 -4.17 105.19 100.75 2jpf n GLY 102 Ca 0.23 0.00 0.44 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 -1.03 0.99 8.10 -1.51 0.23 115.31 122.09 2jpf h LEU 103 Ca 0.00 0.00 0.33 0.00 0.11 0.00 0.00 57.88 58.32 2jpf h LEU 103 Cb 0.00 0.00 -0.15 0.00 -0.44 0.00 0.00 40.66 40.07 2jpf h LEU 103 CO 0.00 0.00 0.59 0.44 -4.11 0.00 0.00 178.44 175.36 2jpf h ASP 104 N 0.00 0.50 -0.76 0.17 3.32 -0.87 0.01 116.42 118.78 2jpf h ASP 104 Ca 0.74 0.19 0.30 0.00 0.02 0.00 0.00 57.03 58.29 2jpf h ASP 104 Cb 3.13 0.14 -0.12 0.00 0.22 0.00 0.00 39.33 42.69 2jpf h ASP 104 CO -0.01 -0.14 0.43 1.07 -1.72 0.00 0.00 179.24 178.87 2jpf n THR 105 N -5.03 -0.27 0.11 0.35 5.66 0.82 -5.11 114.28 110.81 2jpf n THR 105 Ca 0.32 1.40 0.01 0.00 -3.05 0.00 0.00 64.05 62.74 2jpf n THR 105 Cb 1.02 -2.29 0.01 0.00 -1.55 0.00 0.00 70.33 67.52 2jpf n THR 105 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32