#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 1.45 0.10 -1.58 -2.07 -1.26 -5.17 119.66 111.13 2jpf s GLN 2 Ca 0.00 -1.78 0.06 0.00 -1.82 0.00 0.00 55.36 51.81 2jpf s GLN 2 Cb 0.00 -0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 31.42 2jpf s GLN 2 CO 0.00 -0.23 -0.14 -0.65 -1.32 0.00 0.00 175.29 172.94 2jpf s GLN 3 N -3.97 0.93 0.01 9.60 1.11 -1.26 -5.16 119.66 120.93 2jpf s GLN 3 Ca 0.36 -1.10 0.03 0.00 0.01 0.00 0.00 55.36 54.65 2jpf s GLN 3 Cb 0.08 -0.89 -0.01 0.00 -1.01 0.00 0.00 33.01 31.18 2jpf s GLN 3 CO 0.13 0.18 -0.10 -0.51 0.01 0.00 0.00 175.29 175.00 2jpf s LEU 4 N -2.10 2.08 0.17 2.90 1.43 -1.26 -5.16 118.68 116.75 2jpf s LEU 4 Ca 0.04 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2jpf s LEU 4 Cb -0.07 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 2jpf s LEU 4 CO 0.03 0.05 0.15 -1.10 0.23 0.00 0.00 176.35 175.71 2jpf s GLN 5 N -0.61 1.12 -0.22 1.70 -0.21 -1.26 -5.14 119.66 115.05 2jpf s GLN 5 Ca 0.01 -1.46 -0.21 0.00 0.02 0.00 0.00 55.36 53.72 2jpf s GLN 5 Cb -0.05 0.29 -0.02 0.00 1.00 0.00 0.00 33.01 34.23 2jpf s GLN 5 CO 0.00 -0.37 0.67 -1.21 -2.12 0.00 0.00 175.29 172.27 2jpf s GLU 6 N -4.08 4.18 -0.07 2.91 2.02 -1.26 -4.97 118.70 117.43 2jpf s GLU 6 Ca 0.29 0.67 -0.13 0.00 0.02 0.00 0.00 54.97 55.82 2jpf s GLU 6 Cb 0.06 -3.61 -0.09 0.00 0.10 0.00 0.00 34.13 30.58 2jpf s GLU 6 CO 0.06 -0.35 0.50 0.45 0.02 0.00 0.00 175.26 175.94 2jpf h HIS 7 N 7.64 -0.20 -4.40 1.61 3.86 -2.05 -3.46 115.15 118.15 2jpf h HIS 7 Ca -0.28 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.31 2jpf h HIS 7 Cb 1.13 0.07 -0.29 0.00 1.06 0.00 0.00 27.41 29.37 2jpf h HIS 7 CO 0.73 0.07 -0.86 0.00 0.86 0.00 0.00 177.93 178.74 2jpf s ALA 8 N -3.23 1.75 -0.02 2.45 0.00 -1.26 -5.06 121.76 116.39 2jpf s ALA 8 Ca -0.08 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2jpf s ALA 8 Cb 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 23.12 22.49 2jpf s ALA 8 CO 0.27 0.42 1.23 -1.00 0.00 0.00 0.00 175.76 176.68 2jpf h PRO 9 N 5.51 -0.05 -3.52 0.00 0.13 -2.04 -3.48 132.00 128.54 2jpf h PRO 9 Ca -0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 2jpf h PRO 9 Cb 1.14 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 2jpf h PRO 9 CO 0.47 0.42 0.00 -1.12 -0.23 0.00 0.00 178.00 177.54 2jpf s SER 10 N -5.62 0.14 -0.05 1.44 0.01 -1.26 -5.17 113.70 103.19 2jpf s SER 10 Ca -0.15 -1.06 0.06 0.00 1.31 0.00 0.00 55.95 56.11 2jpf s SER 10 Cb 0.02 0.68 -0.01 0.00 0.21 0.00 0.00 66.02 66.92 2jpf s SER 10 CO 0.65 -1.33 -0.25 -1.00 0.41 0.00 0.00 173.24 171.72 2jpf s HIS 11 N -3.40 2.41 0.25 2.43 3.76 -1.26 -5.02 115.29 114.45 2jpf s HIS 11 Ca 0.21 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 2jpf s HIS 11 Cb -0.02 -1.58 0.29 0.00 1.11 0.00 0.00 32.58 32.38 2jpf s HIS 11 CO 0.12 -0.20 1.65 0.00 -0.85 0.00 0.00 174.74 175.46 2jpf h ALA 12 N 5.99 0.96 0.44 -1.40 0.00 -2.02 0.74 119.26 123.97 2jpf h ALA 12 Ca -0.33 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 2jpf h ALA 12 Cb 1.17 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jpf h ALA 12 CO 0.47 0.61 -0.27 -0.91 0.00 0.00 0.00 179.25 179.15 2jpf h ASN 13 N 0.46 -0.67 -0.48 0.00 4.21 -1.99 -2.79 115.58 114.31 2jpf h ASN 13 Ca 0.05 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2jpf h ASN 13 Cb 0.80 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.20 2jpf h ASN 13 CO 0.06 -0.43 0.00 0.00 -1.29 0.00 0.00 177.43 175.78 2jpf n LEU 14 N -5.40 3.00 -0.30 1.61 -0.00 -1.22 -4.58 117.00 110.11 2jpf n LEU 14 Ca -0.11 -1.43 -0.04 0.00 -0.00 0.00 0.00 56.01 54.43 2jpf n LEU 14 Cb 0.30 -0.32 -0.02 0.00 -0.00 0.00 0.00 43.42 43.39 2jpf n LEU 14 CO 0.34 0.71 0.41 -0.67 -0.00 0.00 0.00 177.39 178.18 2jpf n ASP 15 N 1.15 -0.63 -4.89 1.45 2.03 0.26 -4.39 116.55 111.53 2jpf n ASP 15 Ca 0.19 1.33 -0.29 0.00 0.52 0.00 0.00 54.79 56.54 2jpf n ASP 15 Cb 0.50 -0.25 0.06 0.00 -0.72 0.00 0.00 41.12 40.71 2jpf n ASP 15 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jpf s VAL 16 N -5.56 2.89 0.83 5.18 -7.23 -1.26 -5.00 120.40 110.24 2jpf s VAL 16 Ca -0.10 0.23 -0.07 0.00 -1.81 0.00 0.00 61.98 60.23 2jpf s VAL 16 Cb 0.12 -3.27 0.16 0.00 0.56 0.00 0.00 36.38 33.95 2jpf s VAL 16 CO 0.51 -0.35 1.14 -0.54 -0.31 0.00 0.00 175.10 175.54 2jpf s LYS 17 N -5.41 1.22 0.97 4.82 1.02 -1.26 -5.05 119.74 116.06 2jpf s LYS 17 Ca 0.59 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 2jpf s LYS 17 Cb -0.11 -2.12 0.09 0.00 -0.52 0.00 0.00 37.83 35.17 2jpf s LYS 17 CO 0.50 -1.87 0.64 0.91 -0.92 0.00 0.00 175.35 174.60 2jpf n TRP 18 N -3.24 -0.73 -0.40 3.18 8.01 -1.26 -4.80 117.44 118.20 2jpf n TRP 18 Ca 0.15 0.25 0.34 0.00 -1.31 0.00 0.00 57.50 56.93 2jpf n TRP 18 Cb 0.60 -1.82 0.65 0.00 -2.01 0.00 0.00 31.31 28.73 2jpf n TRP 18 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 2jpf h LEU 19 N -1.79 0.21 -8.62 -0.99 -0.00 -1.91 -3.37 115.31 98.84 2jpf h LEU 19 Ca -0.45 0.06 -0.66 0.00 -0.00 0.00 0.00 57.88 56.83 2jpf h LEU 19 Cb 1.29 0.04 -0.27 0.00 -0.00 0.00 0.00 40.66 41.72 2jpf h LEU 19 CO 0.38 -0.02 -0.76 -1.81 -0.00 0.00 0.00 178.44 176.22 2jpf s ASP 20 N -4.88 4.02 0.00 -0.43 1.11 -1.26 -4.67 116.67 110.56 2jpf s ASP 20 Ca -0.07 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.34 2jpf s ASP 20 Cb 0.26 -1.61 0.00 0.00 1.07 0.00 0.00 42.92 42.64 2jpf s ASP 20 CO 0.82 0.17 0.00 0.61 1.18 0.00 0.00 175.17 177.94 2jpf n GLY 21 N 3.52 1.42 0.55 0.21 0.00 -1.26 -5.01 105.19 104.61 2jpf n GLY 21 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 2jpf n GLY 21 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jpf n LEU 22 N 0.00 2.79 0.18 0.99 0.00 -1.26 -4.53 117.00 115.17 2jpf n LEU 22 Ca 0.00 -1.99 0.14 0.00 0.00 0.00 0.00 56.01 54.15 2jpf n LEU 22 Cb 0.00 -0.20 0.59 0.00 0.00 0.00 0.00 43.42 43.81 2jpf n LEU 22 CO 0.00 0.70 0.90 0.08 0.00 0.00 0.00 177.39 179.07 2jpf h ARG 23 N 1.74 0.00 0.16 1.96 -0.00 -1.96 -0.11 114.38 116.16 2jpf h ARG 23 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.75 2jpf h ARG 23 Cb 0.70 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.69 2jpf h ARG 23 CO 0.00 0.00 -0.98 0.00 -0.00 0.00 0.00 179.97 178.99 2jpf h ALA 24 N 2.15 -0.09 0.00 0.08 0.00 -2.03 -3.41 119.26 115.96 2jpf h ALA 24 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2jpf h ALA 24 Cb 0.31 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jpf h ALA 24 CO 0.00 0.46 -0.35 0.78 0.00 0.00 0.00 179.25 180.14 2jpf h GLY 25 N -0.19 0.00 -5.56 0.00 0.00 -1.82 -3.48 103.07 92.01 2jpf h GLY 25 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.77 2jpf h GLY 25 CO 0.18 0.00 -0.66 -1.26 0.00 0.00 0.00 176.54 174.81 2jpf n SER 26 N -3.98 -6.30 0.11 0.19 2.88 -0.08 -4.89 113.62 101.55 2jpf n SER 26 Ca -0.05 -0.49 -0.03 0.00 -1.33 0.00 0.00 58.87 56.97 2jpf n SER 26 Cb 0.18 -4.96 0.07 0.00 -0.75 0.00 0.00 64.21 58.75 2jpf n SER 26 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2jpf h MET 27 N -2.47 0.00 -2.46 -1.46 2.86 -1.94 -3.44 114.93 106.01 2jpf h MET 27 Ca -0.56 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.01 2jpf h MET 27 Cb 1.36 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.77 2jpf h MET 27 CO 0.55 0.73 -0.26 0.00 1.06 0.00 0.00 176.91 178.99 2jpf s ALA 28 N -3.24 -1.28 0.12 6.32 0.00 -1.26 -5.02 121.76 117.40 2jpf s ALA 28 Ca -0.00 1.71 0.04 0.00 0.00 0.00 0.00 51.96 53.71 2jpf s ALA 28 Cb 0.11 -1.20 -0.20 0.00 0.00 0.00 0.00 23.12 21.83 2jpf s ALA 28 CO 0.78 -0.50 1.26 1.25 0.00 0.00 0.00 175.76 178.55 2jpf h LEU 29 N 7.53 0.13 0.00 0.00 5.85 -2.01 -3.32 115.31 123.49 2jpf h LEU 29 Ca -0.27 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2jpf h LEU 29 Cb 1.16 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2jpf h LEU 29 CO 0.20 1.09 -2.00 0.00 -0.34 0.00 0.00 178.44 177.39 2jpf n GLN 30 N -3.43 0.65 -0.51 1.25 10.64 -1.26 -4.40 117.38 120.31 2jpf n GLN 30 Ca -0.03 -0.18 0.44 0.00 -1.83 0.00 0.00 57.00 55.40 2jpf n GLN 30 Cb 0.94 -1.51 0.73 0.00 -0.86 0.00 0.00 30.24 29.54 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2jpf h GLY 31 N 3.90 0.00 0.72 2.61 0.00 -1.96 0.32 103.07 108.66 2jpf h GLY 31 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2jpf h GLY 31 CO 0.00 0.00 -0.42 -0.55 0.00 0.00 0.00 176.54 175.57 2jpf h ASP 32 N 0.00 -1.10 0.21 0.19 3.32 -1.78 -2.90 116.42 114.36 2jpf h ASP 32 Ca 0.76 0.08 -0.35 0.00 0.02 0.00 0.00 57.03 57.53 2jpf h ASP 32 Cb 3.26 0.34 0.02 0.00 0.22 0.00 0.00 39.33 43.17 2jpf h ASP 32 CO -0.01 -0.62 -1.67 0.58 -1.72 0.00 0.00 179.24 175.80 2jpf h VAL 33 N -0.97 1.04 -1.39 -1.35 2.07 -1.15 -3.29 116.25 111.21 2jpf h VAL 33 Ca -0.07 -2.57 0.40 0.00 0.82 0.00 0.00 66.70 65.29 2jpf h VAL 33 Cb 0.81 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 33.38 2jpf h VAL 33 CO 0.02 0.84 1.14 0.50 0.02 0.00 0.00 177.57 180.10 2jpf h LYS 34 N 0.11 0.00 0.00 1.57 3.64 -0.55 1.83 116.57 123.17 2jpf h LYS 34 Ca -0.32 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.84 2jpf h LYS 34 Cb 2.12 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.90 2jpf h LYS 34 CO 0.21 0.00 -1.55 1.33 -2.27 0.00 0.00 179.45 177.17 2jpf n VAL 35 N -3.79 1.37 0.13 2.00 0.24 -1.10 -4.04 118.33 113.15 2jpf n VAL 35 Ca 0.31 -0.74 0.14 0.00 -2.04 0.00 0.00 64.34 62.01 2jpf n VAL 35 Cb 1.58 -0.87 0.39 0.00 -1.47 0.00 0.00 33.84 33.47 2jpf n VAL 35 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 2jpf h TRP 36 N 0.00 0.00 0.00 6.34 4.06 0.28 0.54 115.95 127.17 2jpf h TRP 36 Ca -0.22 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.73 2jpf h TRP 36 Cb 1.78 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.94 2jpf h TRP 36 CO 0.00 0.00 -0.04 1.98 -3.56 0.00 0.00 178.44 176.82 2jpf h MET 37 N 0.00 0.00 -0.93 0.49 4.05 -1.70 -3.29 114.93 113.55 2jpf h MET 37 Ca 0.18 0.00 0.24 0.00 -0.28 0.00 0.00 59.70 59.84 2jpf h MET 37 Cb 1.91 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.65 2jpf h MET 37 CO -0.00 0.03 0.64 -0.56 0.23 0.00 0.00 176.91 177.25 2jpf h GLN 38 N -1.00 0.21 -0.48 0.39 3.07 -1.16 0.14 115.11 116.28 2jpf h GLN 38 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.74 2jpf h GLN 38 Cb 0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 2jpf h GLN 38 CO -0.00 0.14 0.31 -0.91 0.09 0.00 0.00 178.83 178.46 2jpf h ASN 39 N 0.22 0.53 1.72 0.06 -0.26 -1.38 -2.05 115.58 114.41 2jpf h ASN 39 Ca 0.47 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.19 2jpf h ASN 39 Cb 1.50 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 38.63 2jpf h ASN 39 CO -0.12 0.38 -0.28 -0.07 -1.06 0.00 0.00 177.43 176.28 2jpf h LEU 40 N 0.63 0.00 -0.07 1.61 3.38 -0.97 -2.51 115.31 117.38 2jpf h LEU 40 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2jpf h LEU 40 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2jpf h LEU 40 CO -0.05 0.06 0.01 -0.08 0.09 0.00 0.00 178.44 178.46 2jpf h GLU 41 N 0.00 0.11 0.00 1.13 4.22 -0.27 0.86 114.58 120.63 2jpf h GLU 41 Ca -0.00 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.25 2jpf h GLU 41 Cb 1.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2jpf h GLU 41 CO 0.01 0.36 -0.85 0.22 -2.18 0.00 0.00 179.01 176.56 2jpf h ASP 42 N -0.15 0.00 0.00 1.04 1.82 -1.50 -3.23 116.42 114.41 2jpf h ASP 42 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2jpf h ASP 42 Cb 0.31 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 2jpf h ASP 42 CO 0.00 0.65 -0.11 0.25 -1.61 0.00 0.00 179.24 178.43 2jpf h LEU 43 N 0.00 0.00 -0.67 2.28 7.12 -1.42 -3.37 115.31 119.25 2jpf h LEU 43 Ca -0.05 -0.28 0.13 0.00 0.13 0.00 0.00 57.88 57.81 2jpf h LEU 43 Cb 1.54 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 41.54 2jpf h LEU 43 CO 0.08 0.70 -0.19 -0.74 -0.13 0.00 0.00 178.44 178.16 2jpf h HIS 44 N -1.00 -0.43 -0.93 1.25 2.76 0.63 0.51 115.15 117.94 2jpf h HIS 44 Ca -0.02 0.06 0.27 0.00 -2.20 0.00 0.00 60.37 58.49 2jpf h HIS 44 Cb 0.37 0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 2jpf h HIS 44 CO 0.05 -0.30 1.07 0.00 -1.30 0.00 0.00 177.93 177.45 2jpf h THR 45 N -0.02 0.07 0.00 6.26 1.03 -1.69 -2.82 112.91 115.74 2jpf h THR 45 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.72 2jpf h THR 45 Cb 0.51 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.72 2jpf h THR 45 CO -0.70 0.00 -0.10 0.54 -0.01 0.00 0.00 175.52 175.25 2jpf n ARG 46 N -3.35 0.05 -3.96 0.00 1.74 0.17 -5.04 116.66 106.27 2jpf n ARG 46 Ca 0.21 0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 57.11 2jpf n ARG 46 Cb 1.36 -0.53 -0.17 0.00 -1.02 0.00 0.00 32.46 32.11 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jpf s ARG 47 N -1.20 0.55 -0.02 5.56 6.06 -0.37 -5.05 118.95 124.47 2jpf s ARG 47 Ca -0.03 0.03 -0.24 0.00 -2.50 0.00 0.00 55.73 52.99 2jpf s ARG 47 Cb 0.00 -0.73 -0.18 0.00 0.06 0.00 0.00 34.95 34.11 2jpf s ARG 47 CO 0.04 -0.16 1.16 -1.00 -2.50 0.00 0.00 175.30 172.84 2jpf h PRO 48 N 7.54 -0.17 -1.24 5.12 0.13 -1.82 -1.62 132.00 139.94 2jpf h PRO 48 Ca -0.34 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.16 2jpf h PRO 48 Cb 1.14 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2jpf h PRO 48 CO 0.41 0.26 0.91 0.22 -0.23 0.00 0.00 178.00 179.56 2jpf h ASP 49 N -0.66 0.00 0.55 1.44 1.82 -1.97 0.72 116.42 118.33 2jpf h ASP 49 Ca -0.02 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.38 2jpf h ASP 49 Cb 0.50 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 2jpf h ASP 49 CO 0.03 0.00 -1.62 -0.62 -1.61 0.00 0.00 179.24 175.42 2jpf n GLU 50 N -4.12 0.63 -0.30 0.28 1.02 -1.18 -4.20 120.64 112.76 2jpf n GLU 50 Ca 0.27 0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.80 2jpf n GLU 50 Cb 1.31 -1.79 0.28 0.00 -0.02 0.00 0.00 31.44 31.22 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2jpf h PHE 51 N 0.00 0.18 -0.50 -0.32 -5.15 0.15 0.66 116.94 111.95 2jpf h PHE 51 Ca -0.25 0.06 -0.08 0.00 -0.20 0.00 0.00 57.97 57.50 2jpf h PHE 51 Cb 1.86 0.07 -0.02 0.00 0.22 0.00 0.00 35.95 38.07 2jpf h PHE 51 CO 0.00 -0.30 -0.01 1.79 -2.00 0.00 0.00 178.31 177.80 2jpf h THR 52 N 0.12 1.25 0.00 0.88 1.35 -1.72 -2.39 112.91 112.40 2jpf h THR 52 Ca 0.55 -1.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.35 2jpf h THR 52 Cb 1.13 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2jpf h THR 52 CO -0.74 0.37 -0.08 0.00 -0.25 0.00 0.00 175.52 174.81 2jpf h ALA 53 N 1.21 1.48 0.45 6.62 0.00 0.10 0.58 119.26 129.69 2jpf h ALA 53 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jpf h ALA 53 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jpf h ALA 53 CO 0.02 0.10 -0.22 -0.09 0.00 0.00 0.00 179.25 179.07 2jpf h ARG 54 N 0.00 -0.58 -0.09 0.00 9.65 -0.78 -3.11 114.38 119.47 2jpf h ARG 54 Ca -0.00 0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.72 2jpf h ARG 54 Cb 0.20 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2jpf h ARG 54 CO 0.01 -0.39 -0.76 1.37 2.80 0.00 0.00 179.97 183.00 2jpf h LEU 55 N -0.75 0.61 -1.40 3.80 -0.00 -1.57 -3.18 115.31 112.82 2jpf h LEU 55 Ca -0.06 -0.41 0.35 0.00 -0.00 0.00 0.00 57.88 57.75 2jpf h LEU 55 Cb 0.46 -0.18 -0.11 0.00 -0.00 0.00 0.00 40.66 40.83 2jpf h LEU 55 CO 0.10 1.17 0.76 -0.61 -0.00 0.00 0.00 178.44 179.86 2jpf h GLN 56 N 0.35 0.23 -0.88 0.17 5.75 0.07 0.66 115.11 121.45 2jpf h GLN 56 Ca -0.04 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.54 2jpf h GLN 56 Cb 1.36 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.79 2jpf h GLN 56 CO 0.14 0.15 0.57 1.96 -2.65 0.00 0.00 178.83 179.00 2jpf h GLN 57 N 0.24 0.86 0.01 1.69 1.08 -1.52 -0.17 115.11 117.31 2jpf h GLN 57 Ca 0.70 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.85 2jpf h GLN 57 Cb 2.02 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 2jpf h GLN 57 CO -0.35 0.57 -0.01 0.77 -0.95 0.00 0.00 178.83 178.87 2jpf h SER 58 N 0.89 -0.02 -0.30 1.46 0.02 0.12 -3.31 113.55 112.42 2jpf h SER 58 Ca 0.40 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.44 2jpf h SER 58 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2jpf h SER 58 CO -0.17 0.44 0.64 0.74 -1.14 0.00 0.00 176.83 177.34 2jpf h THR 59 N -0.91 0.11 -0.44 -2.27 2.02 -1.35 -2.30 112.91 107.77 2jpf h THR 59 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2jpf h THR 59 Cb 0.01 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 2jpf h THR 59 CO 0.00 0.00 -0.47 0.44 0.37 0.00 0.00 175.52 175.86 2jpf h ASP 60 N 0.00 -1.62 -1.07 4.18 5.19 -1.10 0.29 116.42 122.29 2jpf h ASP 60 Ca 0.14 0.22 0.29 0.00 -0.62 0.00 0.00 57.03 57.06 2jpf h ASP 60 Cb 1.42 0.67 -0.10 0.00 0.18 0.00 0.00 39.33 41.50 2jpf h ASP 60 CO -0.00 -0.31 0.68 0.00 -3.12 0.00 0.00 179.24 176.49 2jpf h ALA 61 N -0.15 2.25 -0.07 3.45 0.00 -1.63 0.76 119.26 123.88 2jpf h ALA 61 Ca 0.08 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2jpf h ALA 61 Cb 0.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jpf h ALA 61 CO -0.56 -0.70 -0.28 1.25 0.00 0.00 0.00 179.25 178.96 2jpf h LEU 62 N 0.36 0.13 -0.14 0.00 6.46 -0.61 0.22 115.31 121.73 2jpf h LEU 62 Ca 0.63 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.32 2jpf h LEU 62 Cb 1.63 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.53 2jpf h LEU 62 CO -0.34 0.41 -0.06 0.10 -0.62 0.00 0.00 178.44 177.93 2jpf h TYR 63 N 0.12 0.33 -0.23 1.25 -0.00 0.16 -2.73 116.97 115.87 2jpf h TYR 63 Ca 0.02 -0.08 -0.18 0.00 0.00 0.00 0.00 58.73 58.49 2jpf h TYR 63 Cb 0.57 -0.08 -0.00 0.00 0.00 0.00 0.00 36.73 37.22 2jpf h TYR 63 CO 0.00 0.61 -0.58 1.03 -0.00 0.00 0.00 178.16 179.23 2jpf h SER 64 N -0.05 0.82 -0.82 0.10 0.87 -1.33 -1.67 113.55 111.48 2jpf h SER 64 Ca 0.03 -0.45 0.09 0.00 -1.23 0.00 0.00 61.79 60.23 2jpf h SER 64 Cb 0.53 -0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.18 2jpf h SER 64 CO 0.02 1.22 0.47 -0.74 -0.53 0.00 0.00 176.83 177.27 2jpf h HIS 65 N 0.56 0.85 0.14 2.24 -0.00 -0.96 0.51 115.15 118.48 2jpf h HIS 65 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2jpf h HIS 65 Cb 1.16 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 2jpf h HIS 65 CO 0.06 0.35 -0.07 1.25 -0.00 0.00 0.00 177.93 179.53 2jpf h LEU 66 N 0.79 -0.16 -1.55 0.26 5.85 -1.45 0.20 115.31 119.25 2jpf h LEU 66 Ca 0.39 -0.09 0.22 0.00 0.84 0.00 0.00 57.88 59.24 2jpf h LEU 66 Cb 0.35 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2jpf h LEU 66 CO -0.24 0.36 0.61 -0.08 -0.34 0.00 0.00 178.44 178.75 2jpf h GLU 67 N -1.03 0.35 0.00 1.25 4.81 -1.24 1.67 114.58 120.38 2jpf h GLU 67 Ca -0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jpf h GLU 67 Cb 0.24 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2jpf h GLU 67 CO 0.03 0.23 -0.19 0.00 -0.73 0.00 0.00 179.01 178.35 2jpf h ALA 68 N 1.60 0.01 0.55 2.92 0.00 -0.07 -3.13 119.26 121.15 2jpf h ALA 68 Ca 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2jpf h ALA 68 Cb 1.26 0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.24 2jpf h ALA 68 CO -0.17 0.18 -0.27 0.37 0.00 0.00 0.00 179.25 179.37 2jpf h GLN 69 N -1.00 -0.72 -0.28 0.00 5.75 -0.34 -2.90 115.11 115.62 2jpf h GLN 69 Ca -0.01 0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.62 2jpf h GLN 69 Cb 0.23 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2jpf h GLN 69 CO -0.00 -0.41 0.34 2.35 -2.65 0.00 0.00 178.83 178.45 2jpf h TRP 70 N -1.04 0.00 0.00 3.99 2.91 0.24 0.27 115.95 122.31 2jpf h TRP 70 Ca -0.08 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.88 2jpf h TRP 70 Cb 0.64 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.28 2jpf h TRP 70 CO 0.01 0.00 -0.32 0.00 -1.03 0.00 0.00 178.44 177.09 2jpf h ALA 71 N 1.58 1.29 -1.09 2.65 0.00 -1.31 -2.96 119.26 119.42 2jpf h ALA 71 Ca 0.13 -0.29 0.30 0.00 0.00 0.00 0.00 54.91 55.05 2jpf h ALA 71 Cb 0.81 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 2jpf h ALA 71 CO -0.00 0.40 0.71 -0.22 0.00 0.00 0.00 179.25 180.14 2jpf h LYS 72 N 0.00 0.31 0.02 0.00 1.63 -0.42 -1.47 116.57 116.64 2jpf h LYS 72 Ca -0.00 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2jpf h LYS 72 Cb 0.64 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 2jpf h LYS 72 CO 0.04 0.21 -0.34 1.96 -3.45 0.00 0.00 179.45 177.87 2jpf h GLN 73 N 0.32 -0.43 0.00 1.90 4.20 -1.69 -3.44 115.11 115.98 2jpf h GLN 73 Ca 0.63 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.37 2jpf h GLN 73 Cb 1.71 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.59 2jpf h GLN 73 CO -0.30 -0.28 -0.09 0.72 -0.67 0.00 0.00 178.83 178.20 2jpf n HIS 74 N -4.36 -1.02 0.00 2.96 8.25 -0.71 -5.06 115.22 115.28 2jpf n HIS 74 Ca -0.05 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2jpf n HIS 74 Cb 0.25 0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 1.79 1.08 0.09 -1.41 0.00 -0.64 -5.01 105.19 101.09 2jpf n GLY 75 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.74 1.48 0.20 2.61 5.66 -1.26 -4.57 114.28 116.66 2jpf n THR 76 Ca 0.00 0.13 0.06 0.00 -3.05 0.00 0.00 64.05 61.19 2jpf n THR 76 Cb 0.00 -2.34 0.40 0.00 -1.55 0.00 0.00 70.33 66.84 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 -6.25 1.09 0.13 -1.98 -3.43 132.00 120.56 2jpf h PRO 77 Ca -0.03 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.54 2jpf h PRO 77 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2jpf h PRO 77 CO -0.02 0.35 1.07 -1.25 -0.23 0.00 0.00 178.00 177.91 2jpf s PRO 78 N -3.85 4.03 0.11 1.56 0.04 -1.26 -4.41 135.00 131.21 2jpf s PRO 78 Ca -0.01 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 2jpf s PRO 78 Cb 0.12 -3.96 0.08 0.00 0.04 0.00 0.00 34.50 30.78 2jpf s PRO 78 CO 0.68 -1.01 1.04 -0.08 0.04 0.00 0.00 177.00 177.67 2jpf s THR 79 N 4.42 0.00 0.54 1.26 -1.32 -1.26 -4.93 115.64 114.34 2jpf s THR 79 Ca 0.69 -0.54 0.33 0.00 -1.21 0.00 0.00 61.69 60.96 2jpf s THR 79 Cb -0.27 -1.96 0.50 0.00 -1.51 0.00 0.00 72.50 69.26 2jpf s THR 79 CO 0.26 0.00 1.87 0.00 -2.21 0.00 0.00 174.62 174.54 2jpf h ALA 80 N 2.00 2.91 0.13 11.08 0.00 -1.97 0.12 119.26 133.52 2jpf h ALA 80 Ca -0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jpf h ALA 80 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jpf h ALA 80 CO 0.26 -1.19 -0.06 0.77 0.00 0.00 0.00 179.25 179.03 2jpf h SER 81 N 0.00 -0.14 -0.19 0.00 0.02 -1.95 -3.30 113.55 107.99 2jpf h SER 81 Ca 0.46 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.47 2jpf h SER 81 Cb 1.84 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 64.36 2jpf h SER 81 CO -0.00 0.33 -0.23 0.44 -1.14 0.00 0.00 176.83 176.23 2jpf h ASP 82 N -1.04 -0.71 -0.63 3.07 5.19 -1.61 0.78 116.42 121.47 2jpf h ASP 82 Ca -0.02 0.12 0.18 0.00 -0.62 0.00 0.00 57.03 56.70 2jpf h ASP 82 Cb 0.13 0.33 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 2jpf h ASP 82 CO 0.03 -0.27 0.87 0.58 -3.12 0.00 0.00 179.24 177.33 2jpf h VAL 83 N -0.26 0.12 0.10 -1.35 2.07 -0.94 0.80 116.25 116.79 2jpf h VAL 83 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2jpf h VAL 83 Cb 0.44 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2jpf h VAL 83 CO -0.34 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 177.65 2jpf h VAL 84 N 0.00 0.00 -0.16 2.57 2.07 -0.91 -3.31 116.25 116.50 2jpf h VAL 84 Ca 0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2jpf h VAL 84 Cb 2.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2jpf h VAL 84 CO -0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2jpf n GLY 85 N -1.18 1.17 0.10 2.17 0.00 -0.69 -4.50 105.19 102.26 2jpf n GLY 85 Ca -0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 1.91 -0.13 -7.40 1.61 -1.53 0.50 -3.45 114.93 106.43 2jpf h MET 86 Ca 0.00 0.01 -0.41 0.00 -3.44 0.00 0.00 59.70 55.86 2jpf h MET 86 Cb 0.57 0.03 0.20 0.00 -0.55 0.00 0.00 31.60 31.84 2jpf h MET 86 CO 0.00 0.15 0.12 -1.25 0.14 0.00 0.00 176.91 176.07 2jpf s PRO 87 N -5.04 -1.43 0.02 0.39 0.04 -1.26 -4.99 135.00 122.73 2jpf s PRO 87 Ca -0.15 -0.14 -0.04 0.00 0.04 0.00 0.00 61.00 60.72 2jpf s PRO 87 Cb 0.03 -1.58 -0.28 0.00 0.04 0.00 0.00 34.50 32.71 2jpf s PRO 87 CO 0.64 -3.84 0.93 -0.56 0.04 0.00 0.00 177.00 174.21 2jpf h GLN 88 N -2.67 0.27 -1.25 4.56 3.07 -1.94 -3.33 115.11 113.82 2jpf h GLN 88 Ca -0.44 -0.46 0.41 0.00 0.09 0.00 0.00 58.65 58.26 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 0.31 1.15 0.79 0.11 0.09 0.00 0.00 178.83 181.28 2jpf h TRP 89 N 0.07 0.59 -0.50 0.06 5.08 -1.94 0.90 115.95 120.22 2jpf h TRP 89 Ca -0.22 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.77 2jpf h TRP 89 Cb 2.01 -0.15 -0.02 0.00 -3.00 0.00 0.00 29.16 28.00 2jpf h TRP 89 CO 0.07 -0.21 0.28 0.37 -1.28 0.00 0.00 178.44 177.66 2jpf h GLN 90 N 0.12 0.69 0.00 0.12 -0.00 -1.79 -0.96 115.11 113.28 2jpf h GLN 90 Ca 0.80 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 59.38 2jpf h GLN 90 Cb 2.41 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 29.75 2jpf h GLN 90 CO -0.46 0.53 -0.02 1.49 0.00 0.00 0.00 178.83 180.37 2jpf h GLU 91 N 0.66 0.00 -0.25 1.69 4.81 0.39 -3.34 114.58 118.54 2jpf h GLU 91 Ca 0.18 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2jpf h GLU 91 Cb 0.03 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 2jpf h GLU 91 CO -0.03 0.62 -0.52 1.88 -0.73 0.00 0.00 179.01 180.24 2jpf h TYR 92 N -1.00 -1.54 -0.70 0.92 0.05 -0.36 0.39 116.97 114.74 2jpf h TYR 92 Ca -0.00 0.07 0.20 0.00 0.05 0.00 0.00 58.73 59.05 2jpf h TYR 92 Cb 0.63 0.71 -0.03 0.00 1.01 0.00 0.00 36.73 39.05 2jpf h TYR 92 CO 0.17 -0.51 0.94 0.00 -1.05 0.00 0.00 178.16 177.71 2jpf h THR 93 N -0.48 0.10 0.12 -2.88 1.03 -1.34 0.63 112.91 110.08 2jpf h THR 93 Ca 0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.25 2jpf h THR 93 Cb 0.64 0.22 0.01 0.00 -1.07 0.00 0.00 68.15 67.95 2jpf h THR 93 CO -0.50 0.00 -1.01 0.00 -0.01 0.00 0.00 175.52 174.00 2jpf h ALA 94 N 0.78 0.02 -0.09 0.00 0.00 -0.36 -3.30 119.26 116.31 2jpf h ALA 94 Ca 0.33 -0.85 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2jpf h ALA 94 Cb 2.20 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 20.24 2jpf h ALA 94 CO -0.00 0.53 0.17 1.98 0.00 0.00 0.00 179.25 181.93 2jpf h MET 95 N -0.39 0.00 0.48 0.00 -1.53 0.96 0.32 114.93 114.77 2jpf h MET 95 Ca -0.20 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.03 2jpf h MET 95 Cb 1.65 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.70 2jpf h MET 95 CO 0.10 0.00 -0.23 -0.07 0.14 0.00 0.00 176.91 176.85 2jpf h LEU 96 N 0.00 -0.55 -0.55 3.39 3.38 -1.52 0.47 115.31 119.93 2jpf h LEU 96 Ca 0.04 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2jpf h LEU 96 Cb 0.39 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2jpf h LEU 96 CO -0.00 -0.15 -0.70 0.08 0.09 0.00 0.00 178.44 177.75 2jpf h ARG 97 N -1.04 0.00 0.09 1.13 0.11 -1.56 0.84 114.38 113.95 2jpf h ARG 97 Ca -0.07 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.01 2jpf h ARG 97 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2jpf h ARG 97 CO 0.11 0.70 -0.05 1.49 0.10 0.00 0.00 179.97 182.33 2jpf h GLU 98 N 0.00 -0.12 0.01 0.08 4.57 -0.43 -3.40 114.58 115.28 2jpf h GLU 98 Ca -0.01 0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.00 2jpf h GLU 98 Cb 1.27 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 2jpf h GLU 98 CO 0.09 0.35 -0.99 -0.09 -1.18 0.00 0.00 179.01 177.19 2jpf h ARG 99 N -0.92 0.01 -4.79 1.92 9.65 -0.17 -3.48 114.38 116.60 2jpf h ARG 99 Ca -0.01 -0.02 -0.23 0.00 -1.10 0.00 0.00 59.98 58.62 2jpf h ARG 99 Cb 0.53 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.07 2jpf h ARG 99 CO 0.02 1.01 -0.32 1.97 2.80 0.00 0.00 179.97 185.45 2jpf n PHE 100 N -4.44 -1.67 -0.10 2.20 -1.74 0.29 -4.78 117.46 107.21 2jpf n PHE 100 Ca -0.27 0.16 -0.13 0.00 -0.56 0.00 0.00 57.45 56.65 2jpf n PHE 100 Cb 0.65 -2.24 -0.14 0.00 1.52 0.00 0.00 39.48 39.26 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 -2.75 1.45 0.10 1.98 0.00 -1.26 -4.25 120.51 115.78 2jpf n ALA 101 Ca -0.05 -1.18 -0.19 0.00 0.00 0.00 0.00 53.44 52.01 2jpf n ALA 101 Cb 0.55 -0.21 -0.15 0.00 0.00 0.00 0.00 19.45 19.64 2jpf n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jpf h GLY 102 N 3.08 0.40 0.45 0.00 0.00 -1.92 -3.24 103.07 101.83 2jpf h GLY 102 Ca -0.54 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 45.78 2jpf h GLY 102 CO -0.01 0.89 0.00 1.47 0.00 0.00 0.00 176.54 178.89 2jpf n LEU 103 N -3.56 0.00 -0.29 3.11 -0.00 -1.26 -4.12 117.00 110.88 2jpf n LEU 103 Ca -0.15 0.00 0.26 0.00 -0.00 0.00 0.00 56.01 56.12 2jpf n LEU 103 Cb 1.06 0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.94 2jpf n LEU 103 CO 0.54 0.00 0.83 0.47 -0.00 0.00 0.00 177.39 179.24 2jpf n ASP 104 N -0.73 0.21 -0.15 1.45 8.00 -1.23 0.15 116.55 124.26 2jpf n ASP 104 Ca 0.08 1.14 -0.03 0.00 0.71 0.00 0.00 54.79 56.69 2jpf n ASP 104 Cb 0.04 -0.56 0.05 0.00 -0.02 0.00 0.00 41.12 40.63 2jpf n ASP 104 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2jpf h THR 105 N 0.00 0.60 -0.03 -3.53 1.35 -1.89 -3.52 112.91 105.88 2jpf h THR 105 Ca 0.64 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.47 2jpf h THR 105 Cb 1.85 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2jpf h THR 105 CO -0.47 0.01 0.00 -0.38 -0.25 0.00 0.00 175.52 174.43