#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 3.56 0.04 1.97 0.00 -1.26 -5.08 119.66 118.89 2jpf s GLN 2 Ca 0.00 0.92 -0.01 0.00 -0.00 0.00 0.00 55.36 56.27 2jpf s GLN 2 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 33.01 30.90 2jpf s GLN 2 CO 0.00 -0.59 -0.02 1.14 0.00 0.00 0.00 175.29 175.82 2jpf s GLN 3 N -4.61 0.48 1.07 9.60 -2.07 -1.26 -5.16 119.66 117.71 2jpf s GLN 3 Ca 0.58 -0.91 -0.12 0.00 -1.82 0.00 0.00 55.36 53.09 2jpf s GLN 3 Cb -0.12 0.17 0.23 0.00 -1.09 0.00 0.00 33.01 32.20 2jpf s GLN 3 CO 0.44 -0.09 1.07 -0.48 -1.32 0.00 0.00 175.29 174.91 2jpf s LEU 4 N -2.21 1.59 -0.08 2.60 2.34 -1.26 -5.04 118.68 116.63 2jpf s LEU 4 Ca -0.04 1.77 0.03 0.00 0.06 0.00 0.00 54.13 55.96 2jpf s LEU 4 Cb -0.01 -3.86 0.01 0.00 -0.56 0.00 0.00 46.19 41.77 2jpf s LEU 4 CO -0.06 -3.79 -0.18 -1.58 -1.06 0.00 0.00 176.35 169.68 2jpf s GLN 5 N -4.53 2.25 0.41 1.48 0.74 -1.26 -5.14 119.66 113.61 2jpf s GLN 5 Ca 0.68 -0.63 0.04 0.00 0.05 0.00 0.00 55.36 55.50 2jpf s GLN 5 Cb -0.24 -1.79 0.00 0.00 1.10 0.00 0.00 33.01 32.08 2jpf s GLN 5 CO 0.62 0.12 0.59 -1.83 -0.55 0.00 0.00 175.29 174.24 2jpf s GLU 6 N 0.44 2.99 0.50 1.67 -1.05 -1.26 -5.12 118.70 116.87 2jpf s GLU 6 Ca -0.15 -0.84 0.09 0.00 -0.15 0.00 0.00 54.97 53.92 2jpf s GLU 6 Cb -0.16 -2.68 0.05 0.00 -0.44 0.00 0.00 34.13 30.89 2jpf s GLU 6 CO 0.06 -0.19 0.66 -3.38 0.95 0.00 0.00 175.26 173.36 2jpf s HIS 7 N -2.40 2.11 0.01 4.83 -3.43 -1.26 -5.14 115.29 110.03 2jpf s HIS 7 Ca 0.49 -0.57 0.02 0.00 -0.80 0.00 0.00 55.06 54.19 2jpf s HIS 7 Cb -0.10 -2.27 -0.01 0.00 -1.43 0.00 0.00 32.58 28.77 2jpf s HIS 7 CO 0.34 -0.75 -0.05 0.00 -2.00 0.00 0.00 174.74 172.28 2jpf s ALA 8 N -2.52 0.42 0.48 -1.38 0.00 -1.26 -5.15 121.76 112.36 2jpf s ALA 8 Ca 0.57 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.89 2jpf s ALA 8 Cb -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 2jpf s ALA 8 CO 0.35 0.03 1.15 -1.25 0.00 0.00 0.00 175.76 176.04 2jpf s PRO 9 N -0.73 3.64 0.02 0.00 0.04 -1.26 -5.04 135.00 131.66 2jpf s PRO 9 Ca -0.04 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 2jpf s PRO 9 Cb -0.05 -2.28 0.10 0.00 0.04 0.00 0.00 34.50 32.30 2jpf s PRO 9 CO -0.00 -0.64 0.94 -1.54 0.04 0.00 0.00 177.00 175.80 2jpf s SER 10 N -1.49 -0.30 1.21 6.66 1.04 -1.26 -5.17 113.70 114.39 2jpf s SER 10 Ca 0.66 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.82 2jpf s SER 10 Cb -0.27 0.38 0.29 0.00 0.10 0.00 0.00 66.02 66.52 2jpf s SER 10 CO 0.32 -0.64 1.07 -1.00 0.98 0.00 0.00 173.24 173.97 2jpf s HIS 11 N -3.08 0.59 -0.02 5.02 3.76 -1.26 -5.07 115.29 115.23 2jpf s HIS 11 Ca 0.07 0.63 0.01 0.00 -0.15 0.00 0.00 55.06 55.62 2jpf s HIS 11 Cb -0.01 -3.30 0.01 0.00 1.11 0.00 0.00 32.58 30.39 2jpf s HIS 11 CO -0.06 -3.95 -0.04 0.00 -0.85 0.00 0.00 174.74 169.84 2jpf s ALA 12 N -2.83 0.51 0.15 -1.40 0.00 -1.26 -5.05 121.76 111.88 2jpf s ALA 12 Ca 0.69 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 2jpf s ALA 12 Cb -0.13 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.79 2jpf s ALA 12 CO 0.57 0.04 1.70 -0.91 0.00 0.00 0.00 175.76 177.17 2jpf h ASN 13 N 6.62 -0.18 -0.28 0.00 2.35 -1.97 0.53 115.58 122.66 2jpf h ASN 13 Ca -0.34 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 55.57 2jpf h ASN 13 Cb 1.17 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 2jpf h ASN 13 CO 0.49 -0.05 0.34 0.17 -1.65 0.00 0.00 177.43 176.73 2jpf h LEU 14 N 0.07 0.00 -0.26 1.61 -0.00 -1.99 -2.84 115.31 111.89 2jpf h LEU 14 Ca 0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.07 2jpf h LEU 14 Cb 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.84 2jpf h LEU 14 CO -0.28 0.00 -0.28 -0.78 -0.00 0.00 0.00 178.44 177.09 2jpf h ASP 15 N 0.00 -0.97 -4.27 0.17 3.58 -1.30 -3.41 116.42 110.22 2jpf h ASP 15 Ca 0.13 0.13 -0.49 0.00 0.42 0.00 0.00 57.03 57.22 2jpf h ASP 15 Cb 0.81 0.40 0.07 0.00 1.72 0.00 0.00 39.33 42.33 2jpf h ASP 15 CO -0.00 -0.19 0.36 0.68 -2.88 0.00 0.00 179.24 177.22 2jpf s VAL 16 N -4.31 3.95 -0.04 2.25 -7.23 -1.07 -5.05 120.40 108.90 2jpf s VAL 16 Ca -0.07 0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 60.58 2jpf s VAL 16 Cb 0.04 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 2jpf s VAL 16 CO 0.31 -0.77 -0.07 0.29 -0.31 0.00 0.00 175.10 174.55 2jpf n LYS 17 N -2.83 0.12 -4.13 4.82 5.02 -1.26 -5.00 118.16 114.90 2jpf n LYS 17 Ca 0.06 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 2jpf n LYS 17 Cb 0.56 -0.83 -0.06 0.00 -0.02 0.00 0.00 35.03 34.68 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 -1.39 1.09 0.36 2.13 0.52 -1.26 -4.96 118.94 115.43 2jpf s TRP 18 Ca -0.05 -1.28 0.10 0.00 0.02 0.00 0.00 56.10 54.88 2jpf s TRP 18 Cb 0.01 -0.24 0.84 0.00 -1.15 0.00 0.00 33.47 32.93 2jpf s TRP 18 CO 0.08 -0.97 1.85 -0.07 0.02 0.00 0.00 176.95 177.86 2jpf h LEU 19 N 2.23 0.64 -9.90 2.99 3.38 -1.88 -3.43 115.31 109.34 2jpf h LEU 19 Ca -0.29 0.05 -0.61 0.00 0.09 0.00 0.00 57.88 57.12 2jpf h LEU 19 Cb 1.24 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 2jpf h LEU 19 CO 0.40 0.30 -0.51 -0.62 0.09 0.00 0.00 178.44 178.10 2jpf s ASP 20 N -5.69 4.22 -0.09 -0.43 2.15 -1.26 -4.97 116.67 110.61 2jpf s ASP 20 Ca -0.10 -1.31 -0.06 0.00 0.43 0.00 0.00 52.55 51.51 2jpf s ASP 20 Cb 0.23 -0.14 0.02 0.00 -0.30 0.00 0.00 42.92 42.73 2jpf s ASP 20 CO 0.79 -0.64 0.12 0.61 -0.17 0.00 0.00 175.17 175.88 2jpf n GLY 21 N -1.22 -2.85 3.33 2.66 0.00 -1.26 -4.94 105.19 100.91 2jpf n GLY 21 Ca -0.06 0.89 -0.10 0.00 0.00 0.00 0.00 46.02 46.75 2jpf n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jpf s LEU 22 N -0.35 0.61 -0.09 0.99 0.20 -1.26 -4.39 118.68 114.39 2jpf s LEU 22 Ca -0.14 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.21 2jpf s LEU 22 Cb 0.01 1.65 0.02 0.00 -0.43 0.00 0.00 46.19 47.44 2jpf s LEU 22 CO 0.38 -0.87 -0.09 0.00 -0.29 0.00 0.00 176.35 175.48 2jpf s ARG 23 N -3.85 1.56 -1.38 1.98 1.70 -1.26 -4.77 118.95 112.94 2jpf s ARG 23 Ca 0.06 -0.32 -0.07 0.00 -0.47 0.00 0.00 55.73 54.94 2jpf s ARG 23 Cb 0.02 -1.46 0.04 0.00 -0.57 0.00 0.00 34.95 32.99 2jpf s ARG 23 CO -0.09 -0.12 0.51 0.00 -1.08 0.00 0.00 175.30 174.52 2jpf n ALA 24 N 4.38 -1.02 -2.69 7.88 0.00 -1.26 -4.87 120.51 122.94 2jpf n ALA 24 Ca -0.18 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2jpf n ALA 24 Cb 0.51 -3.14 0.05 0.00 0.00 0.00 0.00 19.45 16.86 2jpf n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jpf n GLY 25 N -1.29 1.53 0.00 0.00 0.00 -1.26 -4.86 105.19 99.32 2jpf n GLY 25 Ca -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.16 1.93 0.12 1.61 3.41 -1.26 -4.59 113.62 114.68 2jpf n SER 26 Ca 0.07 -0.32 0.15 0.00 -0.26 0.00 0.00 58.87 58.51 2jpf n SER 26 Cb 0.82 1.14 0.40 0.00 -0.26 0.00 0.00 64.21 66.31 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 0.00 0.00 -4.67 4.33 -0.00 -2.01 -3.25 114.93 109.33 2jpf h MET 27 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 59.70 59.02 2jpf h MET 27 Cb 0.21 0.00 -0.35 0.00 -0.00 0.00 0.00 31.60 31.46 2jpf h MET 27 CO 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 176.91 176.25 2jpf s ALA 28 N -4.25 2.93 0.03 -3.00 0.00 -1.26 -4.95 121.76 111.26 2jpf s ALA 28 Ca -0.02 -2.15 -0.10 0.00 0.00 0.00 0.00 51.96 49.69 2jpf s ALA 28 Cb 0.08 -2.09 -0.32 0.00 0.00 0.00 0.00 23.12 20.80 2jpf s ALA 28 CO 0.28 -1.52 0.99 1.25 0.00 0.00 0.00 175.76 176.76 2jpf h LEU 29 N 7.94 0.62 -0.05 0.00 7.12 -1.94 -3.28 115.31 125.71 2jpf h LEU 29 Ca -0.15 -0.71 0.00 0.00 0.13 0.00 0.00 57.88 57.14 2jpf h LEU 29 Cb 1.05 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.98 2jpf h LEU 29 CO 0.58 1.57 -0.37 0.00 -0.13 0.00 0.00 178.44 180.09 2jpf n GLN 30 N -3.60 0.11 0.33 1.25 3.00 -1.26 -4.08 117.38 113.12 2jpf n GLN 30 Ca -0.15 -0.05 0.09 0.00 -0.01 0.00 0.00 57.00 56.87 2jpf n GLN 30 Cb 1.07 -1.50 0.45 0.00 0.00 0.00 0.00 30.24 30.26 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2jpf h GLY 31 N 4.99 0.00 0.70 1.08 0.00 -1.97 0.32 103.07 108.20 2jpf h GLY 31 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2jpf h GLY 31 CO 0.00 0.00 -0.28 1.29 0.00 0.00 0.00 176.54 177.55 2jpf h ASP 32 N 0.00 -0.66 0.32 0.19 2.03 -1.82 -3.13 116.42 113.35 2jpf h ASP 32 Ca 0.00 -0.03 -0.33 0.00 -0.73 0.00 0.00 57.03 55.94 2jpf h ASP 32 Cb 1.26 0.17 0.01 0.00 -0.83 0.00 0.00 39.33 39.95 2jpf h ASP 32 CO -0.00 -0.29 -1.58 -0.37 -1.03 0.00 0.00 179.24 175.97 2jpf h VAL 33 N -1.10 1.13 -1.09 4.15 -1.51 -1.45 -3.23 116.25 113.15 2jpf h VAL 33 Ca -0.08 -2.69 0.33 0.00 -1.23 0.00 0.00 66.70 63.03 2jpf h VAL 33 Cb 0.65 2.85 -0.13 0.00 -2.13 0.00 0.00 31.29 32.53 2jpf h VAL 33 CO 0.13 0.84 0.67 0.50 -1.23 0.00 0.00 177.57 178.48 2jpf h LYS 34 N 0.10 0.29 0.00 5.19 3.64 -0.57 1.32 116.57 126.54 2jpf h LYS 34 Ca -0.28 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2jpf h LYS 34 Cb 2.09 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 2jpf h LYS 34 CO 0.20 0.19 -0.56 -0.39 -2.27 0.00 0.00 179.45 176.62 2jpf h VAL 35 N 0.30 0.00 -0.78 2.00 -1.51 -1.65 -3.36 116.25 111.25 2jpf h VAL 35 Ca 0.71 -0.87 0.10 0.00 -1.23 0.00 0.00 66.70 65.41 2jpf h VAL 35 Cb 1.83 1.58 -0.12 0.00 -2.13 0.00 0.00 31.29 32.45 2jpf h VAL 35 CO -0.47 0.00 -0.49 -0.25 -1.23 0.00 0.00 177.57 175.12 2jpf h TRP 36 N 0.00 -1.50 0.20 5.19 2.91 0.17 1.07 115.95 123.99 2jpf h TRP 36 Ca 0.00 0.10 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 2jpf h TRP 36 Cb 0.94 0.76 0.00 0.00 -0.51 0.00 0.00 29.16 30.35 2jpf h TRP 36 CO 0.00 -0.41 -0.10 0.00 -1.03 0.00 0.00 178.44 176.90 2jpf h MET 37 N -0.13 -0.26 -0.50 2.65 -0.00 -1.73 -3.06 114.93 111.89 2jpf h MET 37 Ca 0.19 0.02 0.15 0.00 -0.00 0.00 0.00 59.70 60.06 2jpf h MET 37 Cb 0.52 0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 32.16 2jpf h MET 37 CO -0.82 0.13 0.60 -0.56 -0.00 0.00 0.00 176.91 176.27 2jpf h GLN 38 N -0.82 0.00 -0.01 -0.10 -0.00 -1.58 0.89 115.11 113.50 2jpf h GLN 38 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2jpf h GLN 38 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 2jpf h GLN 38 CO 0.05 0.00 -0.03 -0.91 -0.00 0.00 0.00 178.83 177.94 2jpf h ASN 39 N 0.00 0.03 1.58 0.06 2.35 0.13 -3.26 115.58 116.47 2jpf h ASN 39 Ca 0.24 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2jpf h ASN 39 Cb 1.44 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.80 2jpf h ASN 39 CO -0.00 0.69 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.26 2jpf h LEU 40 N -0.62 0.00 -0.80 1.61 3.38 -0.82 -3.31 115.31 114.74 2jpf h LEU 40 Ca -0.00 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.05 2jpf h LEU 40 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2jpf h LEU 40 CO 0.01 0.01 0.92 -0.08 0.09 0.00 0.00 178.44 179.38 2jpf h GLU 41 N 0.00 0.00 0.07 1.13 4.22 0.65 0.64 114.58 121.29 2jpf h GLU 41 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 2jpf h GLU 41 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2jpf h GLU 41 CO 0.00 0.00 -0.03 0.22 -2.18 0.00 0.00 179.01 177.02 2jpf h ASP 42 N 0.00 -0.08 0.84 1.04 3.58 -1.77 -3.34 116.42 116.70 2jpf h ASP 42 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2jpf h ASP 42 Cb 2.00 0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.07 2jpf h ASP 42 CO -0.00 0.37 0.00 0.25 -2.88 0.00 0.00 179.24 176.98 2jpf h LEU 43 N -0.95 0.00 -1.28 2.28 5.85 -1.09 -3.14 115.31 116.98 2jpf h LEU 43 Ca -0.01 0.00 0.42 0.00 0.84 0.00 0.00 57.88 59.13 2jpf h LEU 43 Cb 0.07 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.96 2jpf h LEU 43 CO 0.02 0.00 0.76 -0.74 -0.34 0.00 0.00 178.44 178.13 2jpf h HIS 44 N 0.00 0.63 -0.92 1.25 2.76 0.04 0.64 115.15 119.55 2jpf h HIS 44 Ca 0.00 0.03 0.22 0.00 -2.20 0.00 0.00 60.37 58.42 2jpf h HIS 44 Cb 0.42 -0.15 -0.12 0.00 1.55 0.00 0.00 27.41 29.10 2jpf h HIS 44 CO 0.00 -0.25 0.45 1.15 -1.30 0.00 0.00 177.93 177.98 2jpf h THR 45 N 0.10 0.51 0.00 6.26 2.02 -1.76 -3.30 112.91 116.73 2jpf h THR 45 Ca 0.82 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.84 2jpf h THR 45 Cb 2.40 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2jpf h THR 45 CO -0.51 0.08 -0.78 0.54 0.37 0.00 0.00 175.52 175.23 2jpf n ARG 46 N -4.99 0.41 -3.21 6.66 5.12 0.20 -5.02 116.66 115.82 2jpf n ARG 46 Ca 0.23 0.16 -0.00 0.00 -1.93 0.00 0.00 57.85 56.31 2jpf n ARG 46 Cb 0.67 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2jpf s ARG 47 N -2.69 0.50 -0.02 5.56 3.52 0.43 -5.05 118.95 121.20 2jpf s ARG 47 Ca -0.23 0.68 -0.25 0.00 -0.13 0.00 0.00 55.73 55.80 2jpf s ARG 47 Cb 0.03 0.16 -0.19 0.00 -1.56 0.00 0.00 34.95 33.38 2jpf s ARG 47 CO 0.33 -0.79 1.22 -1.00 -0.81 0.00 0.00 175.30 174.26 2jpf h PRO 48 N 8.06 -0.07 -0.20 5.12 0.13 -1.74 -3.03 132.00 140.27 2jpf h PRO 48 Ca -0.15 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.04 2jpf h PRO 48 Cb 1.16 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2jpf h PRO 48 CO 0.24 0.39 0.59 0.22 -0.23 0.00 0.00 178.00 179.21 2jpf h ASP 49 N -0.55 0.00 0.26 1.44 3.58 -1.95 0.49 116.42 119.69 2jpf h ASP 49 Ca -0.01 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.10 2jpf h ASP 49 Cb 0.49 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.58 2jpf h ASP 49 CO 0.01 0.00 -1.50 -0.08 -2.88 0.00 0.00 179.24 174.79 2jpf h GLU 50 N 0.00 0.54 0.00 0.28 4.81 -1.94 -3.25 114.58 115.02 2jpf h GLU 50 Ca 0.09 -0.92 0.00 0.00 -0.13 0.00 0.00 59.36 58.40 2jpf h GLU 50 Cb 1.28 0.34 0.00 0.00 0.63 0.00 0.00 28.75 31.00 2jpf h GLU 50 CO -0.00 1.44 0.00 0.35 -0.73 0.00 0.00 179.01 180.07 2jpf h PHE 51 N 0.14 0.00 -1.10 0.92 3.04 -0.02 -3.21 116.94 116.71 2jpf h PHE 51 Ca -0.26 0.00 0.32 0.00 3.98 0.00 0.00 57.97 62.00 2jpf h PHE 51 Cb 2.17 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.64 2jpf h PHE 51 CO 0.13 0.00 1.16 0.25 -2.02 0.00 0.00 178.31 177.83 2jpf n THR 52 N -2.88 0.00 0.31 4.41 -2.24 -0.83 0.43 114.28 113.49 2jpf n THR 52 Ca 0.01 1.19 0.09 0.00 -2.27 0.00 0.00 64.05 63.07 2jpf n THR 52 Cb 0.28 -2.11 0.49 0.00 -2.10 0.00 0.00 70.33 66.89 2jpf n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jpf h ALA 53 N 0.55 1.52 0.02 6.98 0.00 -1.82 0.59 119.26 127.10 2jpf h ALA 53 Ca 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 2jpf h ALA 53 Cb 2.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.63 2jpf h ALA 53 CO -0.01 -0.52 -0.01 -0.09 0.00 0.00 0.00 179.25 178.62 2jpf h ARG 54 N 0.00 -0.03 0.00 0.00 9.65 -0.35 -3.28 114.38 120.38 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 1.09 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 2jpf h ARG 54 CO 0.00 -0.02 0.00 1.37 2.80 0.00 0.00 179.97 184.12 2jpf h LEU 55 N -0.39 0.00 -1.23 3.80 -0.00 -1.57 -2.51 115.31 113.42 2jpf h LEU 55 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2jpf h LEU 55 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2jpf h LEU 55 CO 0.01 0.00 -0.29 -0.61 -0.00 0.00 0.00 178.44 177.54 2jpf h GLN 56 N 0.00 0.15 -0.03 0.17 4.15 0.01 -2.03 115.11 117.54 2jpf h GLN 56 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2jpf h GLN 56 Cb 0.36 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 2jpf h GLN 56 CO 0.00 0.44 -0.03 1.96 -1.93 0.00 0.00 178.83 179.27 2jpf h GLN 57 N 0.14 0.04 0.05 1.69 4.20 -1.50 -2.97 115.11 116.75 2jpf h GLN 57 Ca 0.02 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 2jpf h GLN 57 Cb 0.59 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2jpf h GLN 57 CO 0.04 0.07 -1.16 0.66 -0.67 0.00 0.00 178.83 177.78 2jpf h SER 58 N 0.04 0.16 -0.59 1.46 4.64 -1.61 -3.34 113.55 114.32 2jpf h SER 58 Ca 0.01 -0.74 0.17 0.00 -0.47 0.00 0.00 61.79 60.76 2jpf h SER 58 Cb 0.08 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2jpf h SER 58 CO 0.00 1.48 1.01 0.74 -0.87 0.00 0.00 176.83 179.19 2jpf h THR 59 N -0.68 0.04 0.42 2.95 2.02 -1.22 0.18 112.91 116.61 2jpf h THR 59 Ca -0.28 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2jpf h THR 59 Cb 1.46 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2jpf h THR 59 CO -0.06 0.00 -0.28 -0.78 0.37 0.00 0.00 175.52 174.77 2jpf h ASP 60 N 0.00 -0.71 -0.96 4.18 3.58 -1.66 0.20 116.42 121.05 2jpf h ASP 60 Ca 0.28 0.05 0.22 0.00 0.42 0.00 0.00 57.03 57.99 2jpf h ASP 60 Cb 2.29 0.22 -0.12 0.00 1.72 0.00 0.00 39.33 43.45 2jpf h ASP 60 CO -0.00 -0.43 0.53 0.00 -2.88 0.00 0.00 179.24 176.45 2jpf h ALA 61 N -0.16 1.61 -0.00 -0.78 0.00 -0.88 0.17 119.26 119.23 2jpf h ALA 61 Ca -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jpf h ALA 61 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jpf h ALA 61 CO 0.03 -0.22 -0.01 1.25 0.00 0.00 0.00 179.25 180.30 2jpf h LEU 62 N 0.58 0.01 -2.27 0.00 6.46 -1.52 -1.56 115.31 117.01 2jpf h LEU 62 Ca 0.59 -0.58 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2jpf h LEU 62 Cb 1.05 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 2jpf h LEU 62 CO -0.46 0.59 0.14 0.22 -0.62 0.00 0.00 178.44 178.31 2jpf h TYR 63 N -0.57 0.00 0.19 1.25 5.03 0.46 -1.65 116.97 121.68 2jpf h TYR 63 Ca 0.00 0.00 -0.31 0.00 2.58 0.00 0.00 58.73 61.00 2jpf h TYR 63 Cb 0.58 0.00 0.02 0.00 1.55 0.00 0.00 36.73 38.88 2jpf h TYR 63 CO 0.13 0.00 -1.45 0.77 -1.32 0.00 0.00 178.16 176.29 2jpf h SER 64 N 0.00 0.63 -0.67 -2.11 0.02 -0.64 -2.70 113.55 108.08 2jpf h SER 64 Ca 0.06 -0.92 0.07 0.00 -0.84 0.00 0.00 61.79 60.16 2jpf h SER 64 Cb 0.34 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 2jpf h SER 64 CO -0.00 1.67 0.36 -0.74 -1.14 0.00 0.00 176.83 176.98 2jpf h HIS 65 N -0.03 0.66 0.34 3.45 -0.00 -0.35 0.51 115.15 119.72 2jpf h HIS 65 Ca -0.28 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.10 2jpf h HIS 65 Cb 1.99 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 29.21 2jpf h HIS 65 CO 0.13 0.29 -0.16 1.25 -0.00 0.00 0.00 177.93 179.44 2jpf h LEU 66 N 0.65 -0.38 -1.65 0.26 5.85 -1.56 0.50 115.31 118.98 2jpf h LEU 66 Ca 0.31 -0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.18 2jpf h LEU 66 Cb 0.23 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2jpf h LEU 66 CO -0.20 0.07 0.55 -0.08 -0.34 0.00 0.00 178.44 178.44 2jpf h GLU 67 N -1.10 0.30 0.00 1.25 4.22 -1.42 1.45 114.58 119.28 2jpf h GLU 67 Ca -0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.37 2jpf h GLU 67 Cb 0.40 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jpf h GLU 67 CO 0.08 0.20 -0.18 0.00 -2.18 0.00 0.00 179.01 176.93 2jpf h ALA 68 N 1.63 0.00 0.52 2.92 0.00 -0.01 -3.20 119.26 121.12 2jpf h ALA 68 Ca 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2jpf h ALA 68 Cb 1.12 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2jpf h ALA 68 CO -0.12 0.17 -0.25 0.37 0.00 0.00 0.00 179.25 179.42 2jpf h GLN 69 N -1.00 -0.68 -0.98 0.00 4.15 0.24 -2.83 115.11 114.01 2jpf h GLN 69 Ca -0.01 0.05 0.28 0.00 0.77 0.00 0.00 58.65 59.75 2jpf h GLN 69 Cb 0.21 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 2jpf h GLN 69 CO -0.00 -0.38 0.71 2.35 -1.93 0.00 0.00 178.83 179.58 2jpf h TRP 70 N -0.93 0.01 -1.00 3.99 2.91 0.19 -0.10 115.95 121.03 2jpf h TRP 70 Ca -0.07 0.00 0.27 0.00 1.13 0.00 0.00 58.89 60.22 2jpf h TRP 70 Cb 0.61 -0.00 -0.13 0.00 -0.51 0.00 0.00 29.16 29.13 2jpf h TRP 70 CO -0.00 0.00 0.59 0.00 -1.03 0.00 0.00 178.44 178.00 2jpf h ALA 71 N 1.51 1.86 -1.24 2.65 0.00 -1.49 0.31 119.26 122.86 2jpf h ALA 71 Ca 0.47 0.15 0.36 0.00 0.00 0.00 0.00 54.91 55.89 2jpf h ALA 71 Cb 1.87 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 2jpf h ALA 71 CO -0.01 -0.38 0.84 0.87 0.00 0.00 0.00 179.25 180.57 2jpf h LYS 72 N 0.49 0.15 0.57 0.00 1.57 -1.14 0.33 116.57 118.53 2jpf h LYS 72 Ca 0.68 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.43 2jpf h LYS 72 Cb 1.39 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 2jpf h LYS 72 CO -0.52 0.10 -0.51 1.96 -0.57 0.00 0.00 179.45 179.91 2jpf h GLN 73 N 0.15 -1.02 0.00 3.15 4.20 -0.56 -3.43 115.11 117.60 2jpf h GLN 73 Ca 0.67 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.45 2jpf h GLN 73 Cb 2.23 0.23 0.00 0.00 0.30 0.00 0.00 27.48 30.24 2jpf h GLN 73 CO -0.20 -0.68 -0.25 0.72 -0.67 0.00 0.00 178.83 177.75 2jpf n HIS 74 N -5.57 0.00 0.00 2.96 8.25 -0.30 -5.05 115.22 115.51 2jpf n HIS 74 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2jpf n HIS 74 Cb 0.47 0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.83 2jpf n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpf n GLY 75 N 1.91 2.78 0.08 -1.41 0.00 0.99 -4.87 105.19 104.68 2jpf n GLY 75 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.90 1.49 0.22 2.61 5.66 -1.26 -4.10 114.28 117.99 2jpf n THR 76 Ca 0.00 -0.79 0.08 0.00 -3.05 0.00 0.00 64.05 60.30 2jpf n THR 76 Cb 0.00 -0.88 0.47 0.00 -1.55 0.00 0.00 70.33 68.37 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 -0.31 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.52 2jpf h PRO 77 Cb 1.97 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 33.06 2jpf h PRO 77 CO 0.06 0.26 0.78 -1.25 -0.23 0.00 0.00 178.00 177.63 2jpf s PRO 78 N -3.81 2.55 -0.08 1.56 0.04 -1.26 -4.53 135.00 129.47 2jpf s PRO 78 Ca -0.01 -0.43 -0.24 0.00 0.04 0.00 0.00 61.00 60.37 2jpf s PRO 78 Cb 0.12 -5.09 0.05 0.00 0.04 0.00 0.00 34.50 29.62 2jpf s PRO 78 CO 0.65 -3.47 0.55 0.99 0.04 0.00 0.00 177.00 175.76 2jpf s THR 79 N 10.22 0.02 0.22 1.26 2.01 -1.26 -4.98 115.64 123.13 2jpf s THR 79 Ca 0.70 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 62.41 2jpf s THR 79 Cb -0.06 -0.85 0.25 0.00 0.01 0.00 0.00 72.50 71.86 2jpf s THR 79 CO 0.01 -0.08 1.46 0.00 -0.69 0.00 0.00 174.62 175.33 2jpf n ALA 80 N 1.41 -0.07 -0.35 7.40 0.00 -1.26 0.16 120.51 127.81 2jpf n ALA 80 Ca -0.19 0.95 0.23 0.00 0.00 0.00 0.00 53.44 54.44 2jpf n ALA 80 Cb 0.56 -0.45 0.49 0.00 0.00 0.00 0.00 19.45 20.05 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 0.50 0.00 0.00 0.02 -1.96 0.29 113.55 112.40 2jpf h SER 81 Ca 0.34 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2jpf h SER 81 Cb 0.58 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2jpf h SER 81 CO -0.94 0.02 -0.22 0.44 -1.14 0.00 0.00 176.83 174.99 2jpf h ASP 82 N 0.40 0.00 -0.84 3.07 3.32 0.13 -3.36 116.42 119.13 2jpf h ASP 82 Ca 0.66 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.95 2jpf h ASP 82 Cb 1.59 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 2jpf h ASP 82 CO -0.41 0.40 1.02 0.58 -1.72 0.00 0.00 179.24 179.11 2jpf h VAL 83 N -0.59 0.08 -0.84 -1.35 2.07 0.05 0.66 116.25 116.34 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 0.22 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 2jpf h VAL 83 CO 0.00 0.00 0.43 1.62 0.02 0.00 0.00 177.57 179.64 2jpf h VAL 84 N 0.00 0.75 0.00 2.57 3.04 -0.57 -3.25 116.25 118.79 2jpf h VAL 84 Ca 0.40 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 2jpf h VAL 84 Cb 2.43 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 2jpf h VAL 84 CO -0.00 0.12 0.00 0.61 -1.01 0.00 0.00 177.57 177.28 2jpf n GLY 85 N -1.32 -0.07 0.14 3.17 0.00 0.11 -4.65 105.19 102.56 2jpf n GLY 85 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.37 -7.39 1.61 4.05 0.07 -3.45 114.93 110.19 2jpf h MET 86 Ca 0.00 -0.07 -0.41 0.00 -0.28 0.00 0.00 59.70 58.94 2jpf h MET 86 Cb 0.39 -0.06 0.19 0.00 -0.80 0.00 0.00 31.60 31.32 2jpf h MET 86 CO 0.00 0.42 0.13 -1.25 0.23 0.00 0.00 176.91 176.44 2jpf s PRO 87 N -5.53 -1.24 0.05 0.39 0.04 -1.26 -4.99 135.00 122.46 2jpf s PRO 87 Ca -0.13 -0.07 0.04 0.00 0.04 0.00 0.00 61.00 60.88 2jpf s PRO 87 Cb 0.08 -1.59 -0.24 0.00 0.04 0.00 0.00 34.50 32.79 2jpf s PRO 87 CO 0.72 -3.72 1.02 -0.56 0.04 0.00 0.00 177.00 174.50 2jpf h GLN 88 N -2.59 0.10 -0.93 4.56 3.07 -1.95 -3.34 115.11 114.02 2jpf h GLN 88 Ca -0.45 -0.16 0.27 0.00 0.09 0.00 0.00 58.65 58.40 2jpf h GLN 88 Cb 1.29 0.06 -0.16 0.00 0.08 0.00 0.00 27.48 28.75 2jpf h GLN 88 CO 0.34 0.95 0.22 0.11 0.09 0.00 0.00 178.83 180.54 2jpf h TRP 89 N 0.03 0.31 -0.11 0.06 5.08 -1.95 0.33 115.95 119.70 2jpf h TRP 89 Ca -0.14 0.06 0.04 0.00 1.08 0.00 0.00 58.89 59.93 2jpf h TRP 89 Cb 1.91 0.02 -0.06 0.00 -3.00 0.00 0.00 29.16 28.02 2jpf h TRP 89 CO 0.02 -0.32 -0.36 0.37 -1.28 0.00 0.00 178.44 176.88 2jpf h GLN 90 N 0.12 -0.43 0.20 0.12 5.75 -1.83 0.34 115.11 119.38 2jpf h GLN 90 Ca 0.61 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 59.13 2jpf h GLN 90 Cb 1.33 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.98 2jpf h GLN 90 CO -0.76 -0.29 -0.10 0.93 -2.65 0.00 0.00 178.83 175.97 2jpf h GLU 91 N -0.45 -0.26 -0.20 1.69 3.07 -1.06 -3.21 114.58 114.15 2jpf h GLU 91 Ca 0.08 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.99 2jpf h GLU 91 Cb 0.58 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.49 2jpf h GLU 91 CO -0.36 0.11 -0.47 1.88 -1.40 0.00 0.00 179.01 178.77 2jpf h TYR 92 N -0.72 -1.41 -0.67 4.33 -1.99 -0.33 0.38 116.97 116.56 2jpf h TYR 92 Ca -0.03 0.06 0.19 0.00 2.00 0.00 0.00 58.73 60.96 2jpf h TYR 92 Cb 0.49 0.64 -0.03 0.00 2.00 0.00 0.00 36.73 39.84 2jpf h TYR 92 CO 0.05 -0.45 0.89 0.00 -0.00 0.00 0.00 178.16 178.66 2jpf h THR 93 N -0.44 0.11 0.06 -2.88 1.03 -0.42 0.40 112.91 110.77 2jpf h THR 93 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.35 2jpf h THR 93 Cb 0.55 0.25 0.01 0.00 -1.07 0.00 0.00 68.15 67.89 2jpf h THR 93 CO -0.43 0.00 -0.40 0.00 -0.01 0.00 0.00 175.52 174.68 2jpf h ALA 94 N 0.84 -0.01 -0.12 0.00 0.00 -0.29 -3.28 119.26 116.39 2jpf h ALA 94 Ca 0.32 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2jpf h ALA 94 Cb 2.10 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 2jpf h ALA 94 CO -0.00 0.20 0.24 0.52 0.00 0.00 0.00 179.25 180.21 2jpf h MET 95 N -0.75 0.00 0.60 0.00 2.07 0.75 0.34 114.93 117.94 2jpf h MET 95 Ca -0.08 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.52 2jpf h MET 95 Cb 1.27 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 31.01 2jpf h MET 95 CO 0.05 0.00 -0.29 -0.07 1.07 0.00 0.00 176.91 177.67 2jpf h LEU 96 N 0.00 -0.68 -0.75 1.22 3.38 -1.50 0.77 115.31 117.75 2jpf h LEU 96 Ca 0.06 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2jpf h LEU 96 Cb 0.54 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2jpf h LEU 96 CO -0.00 -0.31 -0.45 0.08 0.09 0.00 0.00 178.44 177.84 2jpf h ARG 97 N -1.15 0.00 0.00 1.13 0.11 -1.54 0.40 114.38 113.33 2jpf h ARG 97 Ca -0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 2jpf h ARG 97 Cb 0.62 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 2jpf h ARG 97 CO 0.13 0.45 -0.01 1.49 0.10 0.00 0.00 179.97 182.13 2jpf h GLU 98 N 0.00 0.00 0.00 0.08 4.81 -0.39 -3.41 114.58 115.67 2jpf h GLU 98 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jpf h GLU 98 Cb 1.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2jpf h GLU 98 CO 0.06 0.50 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.61 2jpf h ARG 99 N -1.00 0.00 -5.44 1.92 9.65 0.45 -3.47 114.38 116.48 2jpf h ARG 99 Ca -0.00 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 2jpf h ARG 99 Cb 0.51 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.99 2jpf h ARG 99 CO -0.00 0.47 -0.48 1.97 2.80 0.00 0.00 179.97 184.73 2jpf n PHE 100 N -4.67 -1.70 -0.09 2.20 -1.74 0.14 -4.83 117.46 106.77 2jpf n PHE 100 Ca -0.07 0.37 -0.02 0.00 -0.56 0.00 0.00 57.45 57.17 2jpf n PHE 100 Cb 0.26 -2.45 -0.02 0.00 1.52 0.00 0.00 39.48 38.79 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 -3.28 -0.14 -2.46 1.98 0.00 -1.26 -4.31 120.51 111.04 2jpf n ALA 101 Ca -0.01 0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 2jpf n ALA 101 Cb 0.53 0.30 0.06 0.00 0.00 0.00 0.00 19.45 20.35 2jpf n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jpf n GLY 102 N -1.05 1.55 0.10 0.00 0.00 -1.26 -4.94 105.19 99.59 2jpf n GLY 102 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.72 0.00 -0.23 0.99 8.10 -1.95 -3.37 115.31 119.57 2jpf h LEU 103 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.49 2jpf h LEU 103 Cb 1.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.55 2jpf h LEU 103 CO -0.21 0.51 0.08 0.44 -4.11 0.00 0.00 178.44 175.14 2jpf h ASP 104 N 0.00 0.33 -0.23 0.17 3.32 -1.92 -2.58 116.42 115.52 2jpf h ASP 104 Ca -0.13 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 56.80 2jpf h ASP 104 Cb 1.50 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 2jpf h ASP 104 CO 0.04 0.44 0.17 0.00 -1.72 0.00 0.00 179.24 178.18 2jpf h THR 105 N 0.21 0.83 -0.01 0.35 1.03 -1.96 -3.53 112.91 109.84 2jpf h THR 105 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.48 2jpf h THR 105 Cb 0.22 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 2jpf h THR 105 CO -0.00 0.00 0.00 2.30 -0.01 0.00 0.00 175.52 177.81