#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 0.30 -1.16 1.64 -0.21 -1.26 -4.88 119.66 114.09 2jpf s GLN 2 Ca 0.00 -0.09 -0.07 0.00 0.02 0.00 0.00 55.36 55.22 2jpf s GLN 2 Cb 0.00 0.13 0.01 0.00 1.00 0.00 0.00 33.01 34.15 2jpf s GLN 2 CO 0.00 -0.06 1.01 1.04 -2.12 0.00 0.00 175.29 175.16 2jpf n GLN 3 N 2.30 -6.78 -0.07 2.91 1.13 -1.26 -4.95 117.38 110.67 2jpf n GLN 3 Ca -0.17 0.72 -0.10 0.00 -1.94 0.00 0.00 57.00 55.51 2jpf n GLN 3 Cb 0.57 -5.44 -0.08 0.00 0.11 0.00 0.00 30.24 25.40 2jpf n GLN 3 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2jpf h LEU 4 N -2.26 0.00 1.11 1.08 3.38 -2.05 -3.48 115.31 113.08 2jpf h LEU 4 Ca -0.50 -0.55 -0.29 0.00 0.09 0.00 0.00 57.88 56.64 2jpf h LEU 4 Cb 1.32 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.09 2jpf h LEU 4 CO 0.48 0.90 -0.41 0.00 0.09 0.00 0.00 178.44 179.50 2jpf n GLN 5 N -4.63 -2.64 0.01 1.13 6.02 -1.26 -4.92 117.38 111.09 2jpf n GLN 5 Ca -0.10 0.67 -0.20 0.00 -0.01 0.00 0.00 57.00 57.36 2jpf n GLN 5 Cb 0.35 -4.98 -0.14 0.00 1.02 0.00 0.00 30.24 26.49 2jpf n GLN 5 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2jpf h GLU 6 N -0.63 0.25 -0.72 -1.09 4.81 -2.01 -3.38 114.58 111.80 2jpf h GLU 6 Ca -0.37 -0.43 0.16 0.00 -0.13 0.00 0.00 59.36 58.60 2jpf h GLU 6 Cb 1.26 0.16 -0.14 0.00 0.63 0.00 0.00 28.75 30.66 2jpf h GLU 6 CO 0.41 1.15 -0.11 0.72 -0.73 0.00 0.00 179.01 180.44 2jpf n HIS 7 N -3.45 0.33 -3.66 0.92 8.25 -1.26 -4.16 115.22 112.19 2jpf n HIS 7 Ca -0.29 0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 57.94 2jpf n HIS 7 Cb 1.05 -0.96 -0.11 0.00 1.12 0.00 0.00 29.99 31.09 2jpf n HIS 7 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jpf s ALA 8 N -5.81 -0.95 0.99 -1.41 0.00 -1.26 -5.16 121.76 108.15 2jpf s ALA 8 Ca -0.10 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 2jpf s ALA 8 Cb 0.20 -1.18 0.18 0.00 0.00 0.00 0.00 23.12 22.32 2jpf s ALA 8 CO 0.56 -0.67 1.09 -1.25 0.00 0.00 0.00 175.76 175.50 2jpf s PRO 9 N 2.43 0.52 -0.04 0.00 0.04 -1.26 -4.98 135.00 131.71 2jpf s PRO 9 Ca -0.02 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 2jpf s PRO 9 Cb -0.12 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.79 2jpf s PRO 9 CO -0.11 -2.68 0.90 -1.12 0.04 0.00 0.00 177.00 174.03 2jpf s SER 10 N -3.44 -0.38 0.78 6.66 0.01 -1.26 -5.15 113.70 110.92 2jpf s SER 10 Ca 0.65 0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.96 2jpf s SER 10 Cb -0.19 0.37 0.14 0.00 0.21 0.00 0.00 66.02 66.56 2jpf s SER 10 CO 0.58 -0.57 1.08 -1.00 0.41 0.00 0.00 173.24 173.73 2jpf s HIS 11 N -2.66 1.71 0.11 2.43 3.76 -1.26 -5.12 115.29 114.25 2jpf s HIS 11 Ca 0.03 -0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2jpf s HIS 11 Cb -0.01 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 2jpf s HIS 11 CO -0.06 -1.91 -0.08 0.00 -0.85 0.00 0.00 174.74 171.83 2jpf s ALA 12 N -3.33 1.08 0.35 -1.40 0.00 -1.26 -5.04 121.76 112.15 2jpf s ALA 12 Ca 0.68 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2jpf s ALA 12 Cb -0.05 0.11 0.66 0.00 0.00 0.00 0.00 23.12 23.84 2jpf s ALA 12 CO 0.46 -0.16 1.96 -2.95 0.00 0.00 0.00 175.76 175.07 2jpf h ASN 13 N 3.09 0.74 0.11 0.00 7.08 -2.06 0.16 115.58 124.71 2jpf h ASN 13 Ca -0.36 -0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.86 2jpf h ASN 13 Cb 1.18 -0.16 -0.00 0.00 -2.08 0.00 0.00 38.32 37.25 2jpf h ASN 13 CO 0.61 0.49 -0.01 0.17 -2.08 0.00 0.00 177.43 176.62 2jpf h LEU 14 N 0.85 0.00 -8.45 6.14 8.10 -2.03 -3.38 115.31 116.54 2jpf h LEU 14 Ca 0.31 0.00 -0.61 0.00 0.11 0.00 0.00 57.88 57.69 2jpf h LEU 14 Cb 0.15 0.00 -0.12 0.00 -0.44 0.00 0.00 40.66 40.25 2jpf h LEU 14 CO -0.10 0.01 0.62 -0.62 -4.11 0.00 0.00 178.44 174.24 2jpf s ASP 15 N -5.55 6.31 -0.03 0.17 -1.08 0.04 -5.00 116.67 111.53 2jpf s ASP 15 Ca -0.04 -0.44 -0.02 0.00 -0.52 0.00 0.00 52.55 51.53 2jpf s ASP 15 Cb 0.13 -2.45 0.01 0.00 -1.46 0.00 0.00 42.92 39.16 2jpf s ASP 15 CO 0.47 -1.31 0.07 -0.69 0.52 0.00 0.00 175.17 174.23 2jpf s VAL 16 N 4.13 -0.02 1.40 1.11 1.01 -1.26 -4.80 120.40 121.99 2jpf s VAL 16 Ca 0.30 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 2jpf s VAL 16 Cb -0.13 -0.12 0.36 0.00 0.00 0.00 0.00 36.38 36.50 2jpf s VAL 16 CO 0.18 0.02 0.94 -0.54 0.00 0.00 0.00 175.10 175.70 2jpf s LYS 17 N 0.34 -2.80 1.12 2.72 1.02 -1.26 -4.97 119.74 115.91 2jpf s LYS 17 Ca -0.03 0.15 -0.16 0.00 0.02 0.00 0.00 55.97 55.95 2jpf s LYS 17 Cb -0.04 -1.39 0.20 0.00 -0.52 0.00 0.00 37.83 36.08 2jpf s LYS 17 CO -0.01 -4.79 0.37 0.91 -0.92 0.00 0.00 175.35 170.91 2jpf n TRP 18 N -5.58 -2.40 -0.08 3.18 7.02 -1.26 -4.78 117.44 113.54 2jpf n TRP 18 Ca 0.12 -0.13 0.22 0.00 -1.02 0.00 0.00 57.50 56.69 2jpf n TRP 18 Cb 0.60 -1.42 0.66 0.00 -2.42 0.00 0.00 31.31 28.73 2jpf n TRP 18 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2jpf h LEU 19 N -2.74 0.08 -9.73 -0.99 6.46 -1.84 -3.42 115.31 103.13 2jpf h LEU 19 Ca -0.34 0.01 -0.56 0.00 -0.12 0.00 0.00 57.88 56.86 2jpf h LEU 19 Cb 1.00 -0.01 0.10 0.00 -0.73 0.00 0.00 40.66 41.02 2jpf h LEU 19 CO 0.22 0.04 0.62 -0.67 -0.62 0.00 0.00 178.44 178.03 2jpf n ASP 20 N -4.37 3.02 -3.94 1.25 2.03 -1.26 -4.88 116.55 108.40 2jpf n ASP 20 Ca 0.13 1.18 -0.36 0.00 0.52 0.00 0.00 54.79 56.27 2jpf n ASP 20 Cb 0.69 -1.50 0.03 0.00 -0.72 0.00 0.00 41.12 39.63 2jpf n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jpf n GLY 21 N 1.34 -4.17 3.25 0.27 0.00 -1.26 -4.92 105.19 99.70 2jpf n GLY 21 Ca 0.07 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 7.01 4.35 0.57 0.99 1.02 -1.26 -4.95 118.68 126.40 2jpf s LEU 22 Ca 0.43 -1.23 0.33 0.00 0.02 0.00 0.00 54.13 53.68 2jpf s LEU 22 Cb -0.25 -1.85 1.70 0.00 0.02 0.00 0.00 46.19 45.81 2jpf s LEU 22 CO 0.76 -0.34 2.14 0.08 0.02 0.00 0.00 176.35 179.02 2jpf h ARG 23 N 8.18 0.00 0.43 1.70 0.11 -2.01 -3.11 114.38 119.69 2jpf h ARG 23 Ca -0.22 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.85 2jpf h ARG 23 Cb 1.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 2jpf h ARG 23 CO 0.60 0.06 -0.48 0.00 0.10 0.00 0.00 179.97 180.26 2jpf h ALA 24 N 1.94 -1.11 0.00 0.08 0.00 -2.02 -3.45 119.26 114.70 2jpf h ALA 24 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jpf h ALA 24 Cb 0.26 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jpf h ALA 24 CO 0.01 -1.15 0.00 0.41 0.00 0.00 0.00 179.25 178.52 2jpf n GLY 25 N -1.52 -0.69 3.20 0.00 0.00 -1.18 -5.06 105.19 99.95 2jpf n GLY 25 Ca -0.11 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.34 -2.83 0.00 1.61 2.88 -1.21 -4.88 113.62 105.85 2jpf n SER 26 Ca 0.00 -0.54 0.06 0.00 -1.33 0.00 0.00 58.87 57.07 2jpf n SER 26 Cb 0.00 -4.60 0.38 0.00 -0.75 0.00 0.00 64.21 59.24 2jpf n SER 26 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2jpf n MET 27 N -3.94 0.96 -3.73 -1.46 2.81 -1.26 -4.53 117.12 105.97 2jpf n MET 27 Ca -0.20 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.40 2jpf n MET 27 Cb 0.63 -1.21 -0.16 0.00 -0.71 0.00 0.00 33.22 31.78 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jpf s ALA 28 N -2.00 1.22 0.17 3.04 0.00 -1.26 -5.00 121.76 117.94 2jpf s ALA 28 Ca 0.19 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 2jpf s ALA 28 Cb 0.09 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.89 2jpf s ALA 28 CO 0.15 -1.38 1.57 1.25 0.00 0.00 0.00 175.76 177.35 2jpf h LEU 29 N 8.18 0.98 -1.48 0.00 5.85 -2.02 -2.86 115.31 123.97 2jpf h LEU 29 Ca -0.16 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2jpf h LEU 29 Cb 1.07 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2jpf h LEU 29 CO 0.40 1.15 0.00 0.00 -0.34 0.00 0.00 178.44 179.64 2jpf n GLN 30 N -4.11 2.01 0.29 1.25 10.64 -1.26 -4.34 117.38 121.86 2jpf n GLN 30 Ca 0.00 -1.47 0.11 0.00 -1.83 0.00 0.00 57.00 53.81 2jpf n GLN 30 Cb 0.45 -1.47 0.51 0.00 -0.86 0.00 0.00 30.24 28.87 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 4.78 0.00 0.68 2.61 0.00 -1.90 0.25 103.07 109.49 2jpf h GLY 31 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2jpf h GLY 31 CO 0.00 0.00 -0.24 -0.55 0.00 0.00 0.00 176.54 175.75 2jpf h ASP 32 N 0.00 -0.56 0.69 0.19 3.32 -1.80 -3.07 116.42 115.19 2jpf h ASP 32 Ca 0.04 -0.07 -0.26 0.00 0.02 0.00 0.00 57.03 56.75 2jpf h ASP 32 Cb 1.27 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 2jpf h ASP 32 CO -0.00 -0.19 -1.23 -0.37 -1.72 0.00 0.00 179.24 175.73 2jpf h VAL 33 N -0.99 1.50 -0.98 -1.35 -1.51 -1.47 -2.75 116.25 108.70 2jpf h VAL 33 Ca -0.07 -3.11 0.23 0.00 -1.23 0.00 0.00 66.70 62.52 2jpf h VAL 33 Cb 0.60 2.89 -0.12 0.00 -2.13 0.00 0.00 31.29 32.53 2jpf h VAL 33 CO 0.11 0.90 0.56 0.50 -1.23 0.00 0.00 177.57 178.41 2jpf h LYS 34 N 0.06 0.57 0.00 5.19 3.64 -0.68 -0.20 116.57 125.14 2jpf h LYS 34 Ca -0.12 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 58.99 2jpf h LYS 34 Cb 1.93 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.58 2jpf h LYS 34 CO 0.18 0.38 -1.57 1.33 -2.27 0.00 0.00 179.45 177.50 2jpf n VAL 35 N -4.89 1.42 -0.11 2.00 0.24 -1.16 -4.05 118.33 111.78 2jpf n VAL 35 Ca 0.25 -0.75 0.25 0.00 -2.04 0.00 0.00 64.34 62.06 2jpf n VAL 35 Cb 0.69 -0.91 0.51 0.00 -1.47 0.00 0.00 33.84 32.66 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 0.13 6.34 7.01 -0.71 0.88 115.95 129.61 2jpf h TRP 36 Ca -0.23 0.00 -0.26 0.00 2.11 0.00 0.00 58.89 60.52 2jpf h TRP 36 Cb 1.82 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 28.88 2jpf h TRP 36 CO 0.00 0.00 -1.25 0.00 -2.79 0.00 0.00 178.44 174.40 2jpf h MET 37 N 0.00 0.28 -0.19 2.65 -0.00 -1.69 -3.32 114.93 112.66 2jpf h MET 37 Ca 0.40 -0.47 -0.09 0.00 -0.00 0.00 0.00 59.70 59.53 2jpf h MET 37 Cb 2.41 0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 34.18 2jpf h MET 37 CO -0.00 1.23 -0.28 -0.56 -0.00 0.00 0.00 176.91 177.29 2jpf h GLN 38 N -0.30 0.37 -0.90 -0.10 3.07 0.44 -1.33 115.11 116.36 2jpf h GLN 38 Ca -0.26 -0.14 0.04 0.00 0.09 0.00 0.00 58.65 58.39 2jpf h GLN 38 Cb 1.75 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 29.24 2jpf h GLN 38 CO 0.10 0.62 0.59 -0.91 0.09 0.00 0.00 178.83 179.31 2jpf h ASN 39 N 0.32 0.94 0.00 0.06 4.21 -0.85 -1.74 115.58 118.53 2jpf h ASN 39 Ca 0.05 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 2jpf h ASN 39 Cb 0.67 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2jpf h ASN 39 CO 0.05 0.63 -0.18 -0.07 -1.29 0.00 0.00 177.43 176.58 2jpf h LEU 40 N 1.09 0.00 -1.54 1.61 3.38 -1.60 -2.83 115.31 115.42 2jpf h LEU 40 Ca 0.37 -0.54 0.39 0.00 0.09 0.00 0.00 57.88 58.18 2jpf h LEU 40 Cb 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 2jpf h LEU 40 CO -0.12 0.87 0.85 -0.08 0.09 0.00 0.00 178.44 180.06 2jpf h GLU 41 N -1.00 0.15 0.00 1.13 4.81 -1.19 1.76 114.58 120.23 2jpf h GLU 41 Ca -0.04 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.97 2jpf h GLU 41 Cb 0.67 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2jpf h GLU 41 CO -0.02 0.10 -1.16 0.22 -0.73 0.00 0.00 179.01 177.42 2jpf h ASP 42 N 0.15 0.00 0.00 1.04 3.58 -1.42 -3.25 116.42 116.51 2jpf h ASP 42 Ca 0.73 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.18 2jpf h ASP 42 Cb 2.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.39 2jpf h ASP 42 CO -0.29 0.91 -0.32 0.25 -2.88 0.00 0.00 179.24 176.92 2jpf h LEU 43 N 0.00 0.00 -0.93 2.28 7.12 0.17 -3.38 115.31 120.58 2jpf h LEU 43 Ca -0.09 0.00 0.26 0.00 0.13 0.00 0.00 57.88 58.18 2jpf h LEU 43 Cb 1.78 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.74 2jpf h LEU 43 CO 0.10 0.66 0.14 -0.74 -0.13 0.00 0.00 178.44 178.47 2jpf h HIS 44 N -0.99 0.16 -1.53 1.25 2.76 0.20 0.64 115.15 117.63 2jpf h HIS 44 Ca 0.00 0.06 0.47 0.00 -2.20 0.00 0.00 60.37 58.70 2jpf h HIS 44 Cb 0.32 0.08 -0.10 0.00 1.55 0.00 0.00 27.41 29.26 2jpf h HIS 44 CO -0.14 -0.34 1.05 0.00 -1.30 0.00 0.00 177.93 177.20 2jpf h THR 45 N 0.09 0.11 0.00 6.26 1.03 -1.70 -2.48 112.91 116.22 2jpf h THR 45 Ca 0.58 -0.02 -0.11 0.00 -0.01 0.00 0.00 66.41 66.86 2jpf h THR 45 Cb 1.22 0.06 -0.02 0.00 -1.07 0.00 0.00 68.15 68.34 2jpf h THR 45 CO -0.79 0.01 -1.33 -1.14 -0.01 0.00 0.00 175.52 172.26 2jpf n ARG 46 N -4.39 0.54 -3.67 0.00 3.00 0.21 -4.99 116.66 107.36 2jpf n ARG 46 Ca 0.39 0.24 -0.19 0.00 -0.00 0.00 0.00 57.85 58.29 2jpf n ARG 46 Cb 1.61 -1.46 -0.17 0.00 0.00 0.00 0.00 32.46 32.44 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 -2.78 -0.06 -0.02 -0.14 3.52 -0.48 -5.05 118.95 113.95 2jpf s ARG 47 Ca -0.31 0.41 -0.25 0.00 -0.13 0.00 0.00 55.73 55.46 2jpf s ARG 47 Cb 0.06 -0.46 -0.19 0.00 -1.56 0.00 0.00 34.95 32.81 2jpf s ARG 47 CO 0.44 -0.32 1.21 -1.00 -0.81 0.00 0.00 175.30 174.82 2jpf h PRO 48 N 8.40 -0.08 -0.96 5.12 0.13 -1.81 -1.14 132.00 141.65 2jpf h PRO 48 Ca -0.13 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.26 2jpf h PRO 48 Cb 1.12 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2jpf h PRO 48 CO 0.16 0.38 0.67 0.22 -0.23 0.00 0.00 178.00 179.19 2jpf h ASP 49 N -0.57 0.19 0.80 1.44 3.58 -1.96 0.61 116.42 120.50 2jpf h ASP 49 Ca -0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2jpf h ASP 49 Cb 0.49 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2jpf h ASP 49 CO 0.01 0.06 -0.95 -0.62 -2.88 0.00 0.00 179.24 174.86 2jpf n GLU 50 N -4.38 0.46 -0.18 0.28 1.02 -1.19 -4.22 120.64 112.44 2jpf n GLU 50 Ca 0.21 0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.41 2jpf n GLU 50 Cb 0.92 -1.73 0.06 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.12 0.00 -0.32 -5.15 0.16 0.42 116.94 111.93 2jpf h PHE 51 Ca 0.00 0.04 -0.00 0.00 -0.20 0.00 0.00 57.97 57.81 2jpf h PHE 51 Cb 0.88 0.14 -0.00 0.00 0.22 0.00 0.00 35.95 37.18 2jpf h PHE 51 CO 0.00 -0.17 -0.02 1.79 -2.00 0.00 0.00 178.31 177.91 2jpf h THR 52 N 0.07 0.17 0.00 0.88 1.35 -1.73 -0.93 112.91 112.73 2jpf h THR 52 Ca 0.27 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2jpf h THR 52 Cb 0.42 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2jpf h THR 52 CO -0.49 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 174.80 2jpf h ALA 53 N 1.98 1.00 0.22 6.62 0.00 -0.37 0.44 119.26 129.15 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jpf h ALA 53 CO 0.00 0.00 -0.10 -0.09 0.00 0.00 0.00 179.25 179.06 2jpf h ARG 54 N 0.00 -0.28 0.00 0.00 9.65 -1.08 -3.31 114.38 119.36 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 0.49 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2jpf h ARG 54 CO 0.00 -0.19 0.00 1.37 2.80 0.00 0.00 179.97 183.95 2jpf h LEU 55 N -0.49 0.00 -2.00 3.80 -0.00 -1.69 -3.15 115.31 111.79 2jpf h LEU 55 Ca -0.03 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 58.00 2jpf h LEU 55 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 2jpf h LEU 55 CO 0.05 0.00 0.37 -0.61 -0.00 0.00 0.00 178.44 178.25 2jpf h GLN 56 N 0.00 0.00 -0.29 0.17 4.15 -0.99 -0.48 115.11 117.68 2jpf h GLN 56 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 2jpf h GLN 56 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 2jpf h GLN 56 CO 0.00 0.00 -0.22 1.96 -1.93 0.00 0.00 178.83 178.64 2jpf h GLN 57 N 0.00 0.65 0.49 1.69 4.20 -1.64 -2.71 115.11 117.79 2jpf h GLN 57 Ca 0.25 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2jpf h GLN 57 Cb 0.99 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2jpf h GLN 57 CO -0.00 0.92 -0.24 1.03 -0.67 0.00 0.00 178.83 179.87 2jpf h SER 58 N 0.39 -0.56 -0.21 1.46 0.87 -1.32 -3.02 113.55 111.16 2jpf h SER 58 Ca 0.05 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 2jpf h SER 58 Cb 0.76 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2jpf h SER 58 CO 0.06 -0.25 0.62 0.74 -0.53 0.00 0.00 176.83 177.47 2jpf h THR 59 N -0.97 0.08 -0.39 2.23 2.02 -1.41 0.25 112.91 114.73 2jpf h THR 59 Ca -0.07 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.23 2jpf h THR 59 Cb 0.51 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2jpf h THR 59 CO 0.11 0.00 0.31 -0.78 0.37 0.00 0.00 175.52 175.53 2jpf h ASP 60 N 0.00 0.00 0.00 4.18 3.58 -1.34 0.11 116.42 122.95 2jpf h ASP 60 Ca 0.10 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2jpf h ASP 60 Cb 1.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2jpf h ASP 60 CO -0.00 0.00 -0.45 0.00 -2.88 0.00 0.00 179.24 175.91 2jpf h ALA 61 N 1.75 0.09 0.00 -0.78 0.00 -0.65 -3.15 119.26 116.53 2jpf h ALA 61 Ca 0.18 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jpf h ALA 61 Cb 0.80 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jpf h ALA 61 CO -0.00 0.25 -0.01 1.25 0.00 0.00 0.00 179.25 180.73 2jpf h LEU 62 N -1.00 0.00 0.14 0.00 6.46 -1.52 0.27 115.31 119.67 2jpf h LEU 62 Ca -0.12 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2jpf h LEU 62 Cb 1.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 2jpf h LEU 62 CO -0.07 0.01 -0.07 0.22 -0.62 0.00 0.00 178.44 177.91 2jpf h TYR 63 N 0.00 -0.18 -0.47 1.25 3.20 -0.90 -3.12 116.97 116.76 2jpf h TYR 63 Ca -0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2jpf h TYR 63 Cb 0.08 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2jpf h TYR 63 CO 0.00 0.06 -0.10 1.03 -1.64 0.00 0.00 178.16 177.51 2jpf h SER 64 N -1.02 0.89 -0.83 -2.11 0.87 -1.46 -1.60 113.55 108.30 2jpf h SER 64 Ca -0.02 -0.36 0.15 0.00 -1.23 0.00 0.00 61.79 60.34 2jpf h SER 64 Cb 0.32 -0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 61.94 2jpf h SER 64 CO 0.03 1.04 0.40 -0.74 -0.53 0.00 0.00 176.83 177.03 2jpf h HIS 65 N 0.73 0.68 0.14 2.24 -0.00 -0.61 0.62 115.15 118.96 2jpf h HIS 65 Ca 0.12 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 2jpf h HIS 65 Cb 0.64 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 2jpf h HIS 65 CO 0.05 0.12 -0.07 1.25 -0.00 0.00 0.00 177.93 179.28 2jpf h LEU 66 N 0.55 -0.16 -1.36 0.26 5.85 -1.46 0.41 115.31 119.38 2jpf h LEU 66 Ca 0.46 -0.30 0.18 0.00 0.84 0.00 0.00 57.88 59.06 2jpf h LEU 66 Cb 0.70 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 2jpf h LEU 66 CO -0.39 0.42 0.59 -0.08 -0.34 0.00 0.00 178.44 178.64 2jpf h GLU 67 N -0.96 0.53 0.00 1.25 4.22 -1.01 1.30 114.58 119.92 2jpf h GLU 67 Ca -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2jpf h GLU 67 Cb 0.45 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jpf h GLU 67 CO 0.03 0.35 -0.21 0.00 -2.18 0.00 0.00 179.01 177.00 2jpf h ALA 68 N 1.61 0.00 0.27 2.92 0.00 0.18 -3.04 119.26 121.20 2jpf h ALA 68 Ca 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2jpf h ALA 68 Cb 1.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jpf h ALA 68 CO -0.22 0.21 -0.19 0.37 0.00 0.00 0.00 179.25 179.43 2jpf h GLN 69 N -0.94 -0.44 0.00 0.00 5.75 -0.05 -1.82 115.11 117.61 2jpf h GLN 69 Ca 0.00 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2jpf h GLN 69 Cb 0.21 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 2jpf h GLN 69 CO 0.00 -0.29 -0.01 2.35 -2.65 0.00 0.00 178.83 178.23 2jpf h TRP 70 N -0.45 0.00 -0.86 3.99 2.91 0.16 -2.61 115.95 119.08 2jpf h TRP 70 Ca -0.02 0.00 0.21 0.00 1.13 0.00 0.00 58.89 60.21 2jpf h TRP 70 Cb 0.39 0.00 -0.12 0.00 -0.51 0.00 0.00 29.16 28.91 2jpf h TRP 70 CO -0.10 0.01 0.32 0.00 -1.03 0.00 0.00 178.44 177.64 2jpf h ALA 71 N 1.99 1.31 -1.50 2.65 0.00 -1.20 0.28 119.26 122.78 2jpf h ALA 71 Ca -0.00 0.18 0.44 0.00 0.00 0.00 0.00 54.91 55.52 2jpf h ALA 71 Cb 0.04 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2jpf h ALA 71 CO 0.00 -0.37 1.17 0.87 0.00 0.00 0.00 179.25 180.93 2jpf h LYS 72 N 0.34 0.00 0.48 0.00 1.79 -1.56 0.90 116.57 118.51 2jpf h LYS 72 Ca 0.53 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.98 2jpf h LYS 72 Cb 1.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 2jpf h LYS 72 CO -0.55 0.00 -0.46 1.96 -1.08 0.00 0.00 179.45 179.32 2jpf h GLN 73 N 0.00 -0.89 0.00 3.15 1.08 -0.66 -3.43 115.11 114.35 2jpf h GLN 73 Ca 0.71 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.97 2jpf h GLN 73 Cb 3.05 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 30.68 2jpf h GLN 73 CO -0.01 -0.60 -0.21 0.72 -0.95 0.00 0.00 178.83 177.78 2jpf n HIS 74 N -5.22 0.00 0.00 2.96 8.25 -0.01 -5.06 115.22 116.15 2jpf n HIS 74 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2jpf n HIS 74 Cb 0.42 0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.80 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 1.86 2.41 0.09 -1.41 0.00 0.10 -4.88 105.19 103.35 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 -0.56 1.59 0.22 2.61 5.66 -1.26 -4.10 114.28 118.44 2jpf n THR 76 Ca 0.00 -0.80 0.08 0.00 -3.05 0.00 0.00 64.05 60.29 2jpf n THR 76 Cb 0.00 -1.00 0.47 0.00 -1.55 0.00 0.00 70.33 68.25 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 0.00 0.00 -5.68 1.09 0.13 -1.93 -3.40 132.00 122.21 2jpf h PRO 77 Ca -0.33 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.50 2jpf h PRO 77 Cb 2.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 33.13 2jpf h PRO 77 CO 0.07 0.27 0.78 -1.25 -0.23 0.00 0.00 178.00 177.64 2jpf s PRO 78 N -3.81 2.55 -0.11 1.56 0.04 -1.26 -4.52 135.00 129.44 2jpf s PRO 78 Ca -0.01 -0.42 -0.26 0.00 0.04 0.00 0.00 61.00 60.35 2jpf s PRO 78 Cb 0.12 -5.09 0.06 0.00 0.04 0.00 0.00 34.50 29.63 2jpf s PRO 78 CO 0.65 -3.46 0.62 -0.08 0.04 0.00 0.00 177.00 174.77 2jpf s THR 79 N 10.21 0.01 0.25 1.26 -1.32 -1.26 -4.98 115.64 119.80 2jpf s THR 79 Ca 0.70 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 61.00 2jpf s THR 79 Cb -0.06 -0.92 0.35 0.00 -1.51 0.00 0.00 72.50 70.37 2jpf s THR 79 CO 0.01 -0.03 1.49 0.00 -2.21 0.00 0.00 174.62 173.88 2jpf n ALA 80 N 1.61 0.09 -0.33 11.08 0.00 -1.26 0.17 120.51 131.86 2jpf n ALA 80 Ca -0.17 1.01 0.23 0.00 0.00 0.00 0.00 53.44 54.51 2jpf n ALA 80 Cb 0.56 -0.55 0.50 0.00 0.00 0.00 0.00 19.45 19.96 2jpf n ALA 80 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jpf h SER 81 N 0.00 0.47 0.00 0.00 0.02 -1.96 0.53 113.55 112.61 2jpf h SER 81 Ca 0.41 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.44 2jpf h SER 81 Cb 0.65 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2jpf h SER 81 CO -0.97 0.07 -0.53 0.44 -1.14 0.00 0.00 176.83 174.70 2jpf h ASP 82 N 0.40 0.00 -0.36 3.07 5.19 0.15 -3.37 116.42 121.51 2jpf h ASP 82 Ca 0.62 -0.05 0.10 0.00 -0.62 0.00 0.00 57.03 57.09 2jpf h ASP 82 Cb 1.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.02 2jpf h ASP 82 CO -0.34 0.79 0.59 0.58 -3.12 0.00 0.00 179.24 177.75 2jpf h VAL 83 N -1.00 0.17 -0.13 -1.35 2.07 0.30 1.11 116.25 117.42 2jpf h VAL 83 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2jpf h VAL 83 Cb 0.53 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2jpf h VAL 83 CO -0.02 0.00 0.10 1.62 0.02 0.00 0.00 177.57 179.29 2jpf h VAL 84 N 0.00 0.85 0.00 2.57 3.04 -0.08 -3.26 116.25 119.37 2jpf h VAL 84 Ca 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 2jpf h VAL 84 Cb 1.36 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2jpf h VAL 84 CO -0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 2jpf n GLY 85 N -1.53 1.00 0.05 3.17 0.00 0.12 -4.65 105.19 103.35 2jpf n GLY 85 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.02 -7.40 1.61 -1.53 0.99 -3.45 114.93 105.17 2jpf h MET 86 Ca 0.00 -0.01 -0.41 0.00 -3.44 0.00 0.00 59.70 55.85 2jpf h MET 86 Cb 0.48 -0.00 0.20 0.00 -0.55 0.00 0.00 31.60 31.72 2jpf h MET 86 CO 0.00 0.30 0.12 -1.25 0.14 0.00 0.00 176.91 176.22 2jpf s PRO 87 N -5.07 -1.61 0.04 0.39 0.04 -1.26 -4.99 135.00 122.54 2jpf s PRO 87 Ca -0.15 -0.20 -0.01 0.00 0.04 0.00 0.00 61.00 60.69 2jpf s PRO 87 Cb 0.04 -1.56 -0.26 0.00 0.04 0.00 0.00 34.50 32.75 2jpf s PRO 87 CO 0.67 -3.94 0.98 -0.56 0.04 0.00 0.00 177.00 174.19 2jpf h GLN 88 N -2.74 0.20 -1.25 4.56 3.07 -1.95 -3.33 115.11 113.67 2jpf h GLN 88 Ca -0.42 -0.33 0.41 0.00 0.09 0.00 0.00 58.65 58.39 2jpf h GLN 88 Cb 1.28 0.12 -0.13 0.00 0.08 0.00 0.00 27.48 28.84 2jpf h GLN 88 CO 0.28 1.07 0.79 0.11 0.09 0.00 0.00 178.83 181.18 2jpf h TRP 89 N 0.05 0.58 -0.17 0.06 5.08 -1.95 0.65 115.95 120.26 2jpf h TRP 89 Ca -0.18 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.81 2jpf h TRP 89 Cb 1.97 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 27.97 2jpf h TRP 89 CO 0.05 -0.20 0.11 0.37 -1.28 0.00 0.00 178.44 177.49 2jpf h GLN 90 N 0.12 0.22 0.01 0.12 -0.00 -1.83 -1.35 115.11 112.41 2jpf h GLN 90 Ca 0.80 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.43 2jpf h GLN 90 Cb 2.40 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 29.83 2jpf h GLN 90 CO -0.45 0.16 -0.01 1.49 0.00 0.00 0.00 178.83 180.02 2jpf h GLU 91 N 0.22 -0.01 -0.70 1.69 4.81 -0.16 -3.28 114.58 117.15 2jpf h GLU 91 Ca 0.06 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2jpf h GLU 91 Cb -0.02 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.26 2jpf h GLU 91 CO -0.01 0.33 -0.53 1.88 -0.73 0.00 0.00 179.01 179.94 2jpf h TYR 92 N -1.00 -1.65 -1.07 0.92 -1.99 -0.29 0.55 116.97 112.44 2jpf h TYR 92 Ca -0.00 0.10 0.29 0.00 2.00 0.00 0.00 58.73 61.12 2jpf h TYR 92 Cb 0.35 0.81 -0.11 0.00 2.00 0.00 0.00 36.73 39.78 2jpf h TYR 92 CO 0.09 -0.43 0.67 0.00 -0.00 0.00 0.00 178.16 178.50 2jpf h THR 93 N -0.19 0.44 -0.03 -2.88 1.03 -1.41 0.50 112.91 110.37 2jpf h THR 93 Ca 0.15 -0.13 -0.20 0.00 -0.01 0.00 0.00 66.41 66.22 2jpf h THR 93 Cb 0.52 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.63 2jpf h THR 93 CO -0.77 0.07 -0.83 0.00 -0.01 0.00 0.00 175.52 173.98 2jpf h ALA 94 N 1.66 0.53 0.00 0.00 0.00 -0.10 -3.07 119.26 118.27 2jpf h ALA 94 Ca 0.65 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jpf h ALA 94 Cb 1.64 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jpf h ALA 94 CO -0.38 0.82 -0.04 1.98 0.00 0.00 0.00 179.25 181.64 2jpf h MET 95 N 0.20 0.00 0.16 0.00 -1.53 0.27 0.36 114.93 114.40 2jpf h MET 95 Ca -0.05 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.21 2jpf h MET 95 Cb 1.43 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.48 2jpf h MET 95 CO 0.14 0.04 -0.08 -0.07 0.14 0.00 0.00 176.91 177.08 2jpf h LEU 96 N 0.00 -0.18 0.00 3.39 3.38 -1.32 0.43 115.31 121.01 2jpf h LEU 96 Ca -0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2jpf h LEU 96 Cb 0.16 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jpf h LEU 96 CO 0.00 0.24 -0.34 0.08 0.09 0.00 0.00 178.44 178.51 2jpf h ARG 97 N -0.65 0.00 0.00 1.13 0.11 -1.60 0.56 114.38 113.93 2jpf h ARG 97 Ca -0.02 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 2jpf h ARG 97 Cb 0.48 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2jpf h ARG 97 CO 0.04 0.19 -0.28 1.49 0.10 0.00 0.00 179.97 181.51 2jpf h GLU 98 N 0.00 0.00 0.03 0.08 4.81 -0.31 -3.41 114.58 115.77 2jpf h GLU 98 Ca -0.01 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 2jpf h GLU 98 Cb 1.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2jpf h GLU 98 CO 0.02 0.49 -1.08 -0.09 -0.73 0.00 0.00 179.01 177.63 2jpf h ARG 99 N -1.00 0.05 -4.78 1.92 9.65 -0.32 -3.48 114.38 116.42 2jpf h ARG 99 Ca -0.05 -0.09 -0.23 0.00 -1.10 0.00 0.00 59.98 58.51 2jpf h ARG 99 Cb 0.62 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.19 2jpf h ARG 99 CO -0.03 1.04 -0.32 1.97 2.80 0.00 0.00 179.97 185.43 2jpf n PHE 100 N -4.34 -1.67 -4.04 2.20 -1.74 0.19 -4.90 117.46 103.16 2jpf n PHE 100 Ca -0.27 0.16 -0.31 0.00 -0.56 0.00 0.00 57.45 56.47 2jpf n PHE 100 Cb 0.70 -2.25 -0.15 0.00 1.52 0.00 0.00 39.48 39.30 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jpf s ALA 101 N -2.55 2.72 0.00 1.98 0.00 -1.26 -4.72 121.76 117.93 2jpf s ALA 101 Ca 0.15 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.94 2jpf s ALA 101 Cb -0.08 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.25 2jpf s ALA 101 CO 0.18 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2jpf n GLY 102 N 4.34 3.62 0.00 0.00 0.00 -1.26 -4.91 105.19 106.98 2jpf n GLY 102 Ca -0.04 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.04 2jpf n GLY 102 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jpf n LEU 103 N 0.00 0.00 -0.03 0.99 -0.00 -1.26 -0.30 117.00 116.40 2jpf n LEU 103 Ca 0.00 0.46 -0.01 0.00 -0.00 0.00 0.00 56.01 56.46 2jpf n LEU 103 Cb 0.00 -0.46 -0.00 0.00 -0.00 0.00 0.00 43.42 42.96 2jpf n LEU 103 CO 0.00 -0.42 -0.08 0.44 -0.00 0.00 0.00 177.39 177.33 2jpf h ASP 104 N 0.00 0.00 -0.23 1.45 5.19 -1.91 -3.40 116.42 117.52 2jpf h ASP 104 Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 2jpf h ASP 104 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2jpf h ASP 104 CO 0.00 0.32 -0.42 0.00 -3.12 0.00 0.00 179.24 176.01 2jpf h THR 105 N -0.52 1.31 0.00 0.35 1.03 -1.95 -3.54 112.91 109.58 2jpf h THR 105 Ca 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 66.41 64.77 2jpf h THR 105 Cb 0.11 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 2jpf h THR 105 CO 0.00 0.52 0.00 -0.38 -0.01 0.00 0.00 175.52 175.65