#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpq s PRO 2 N 0.00 2.60 -0.20 2.12 0.02 -1.26 -4.84 135.00 133.45 2jpq s PRO 2 Ca 0.00 1.27 -0.21 0.00 0.02 0.00 0.00 61.00 62.08 2jpq s PRO 2 Cb 0.00 -4.43 -0.18 0.00 0.02 0.00 0.00 34.50 29.90 2jpq s PRO 2 CO 0.00 -2.72 0.23 0.97 -0.33 0.00 0.00 177.00 175.15 2jpq h ILE 3 N 7.24 0.91 -3.27 2.83 2.10 -2.01 -3.43 117.51 121.89 2jpq h ILE 3 Ca -0.29 -2.10 -0.76 0.00 1.08 0.00 0.00 64.86 62.79 2jpq h ILE 3 Cb 1.22 2.14 -0.24 0.00 -1.09 0.00 0.00 36.82 38.85 2jpq h ILE 3 CO 1.13 0.31 0.48 -0.89 -1.08 0.00 0.00 178.15 178.10 2jpq s THR 4 N -2.34 5.45 0.36 2.19 2.01 -1.26 -4.91 115.64 117.14 2jpq s THR 4 Ca -0.27 -2.51 0.00 0.00 0.31 0.00 0.00 61.69 59.22 2jpq s THR 4 Cb 0.05 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 67.94 2jpq s THR 4 CO 0.57 -1.24 0.00 -1.20 -0.69 0.00 0.00 174.62 172.06 2jpq n SER 5 N 4.43 -4.61 -4.58 3.53 7.64 -1.26 -4.52 113.62 114.25 2jpq n SER 5 Ca 0.21 0.83 -0.40 0.00 1.01 0.00 0.00 58.87 60.52 2jpq n SER 5 Cb 0.45 -2.89 -0.01 0.00 -1.01 0.00 0.00 64.21 60.75 2jpq n SER 5 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jpq s LYS 6 N -3.67 3.70 -0.02 1.43 1.02 -1.26 -4.72 119.74 116.21 2jpq s LYS 6 Ca 0.00 -1.80 -0.14 0.00 0.02 0.00 0.00 55.97 54.04 2jpq s LYS 6 Cb 0.00 -5.48 -0.05 0.00 -0.52 0.00 0.00 37.83 31.78 2jpq s LYS 6 CO 0.00 -2.57 0.39 0.71 -0.92 0.00 0.00 175.35 172.96 2jpq s TYR 7 N 5.51 3.70 -0.25 3.18 1.51 -1.26 -5.01 117.35 124.73 2jpq s TYR 7 Ca 0.56 0.95 -0.35 0.00 -1.01 0.00 0.00 57.07 57.22 2jpq s TYR 7 Cb 0.03 -2.29 -0.11 0.00 -0.11 0.00 0.00 41.96 39.48 2jpq s TYR 7 CO 0.08 0.61 2.05 2.41 -1.11 0.00 0.00 175.55 179.59 2jpq n THR 8 N 2.00 0.34 -0.23 -0.71 -1.04 -1.26 -4.49 114.28 108.89 2jpq n THR 8 Ca -0.14 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2jpq n THR 8 Cb 0.52 -1.78 0.12 0.00 -1.82 0.00 0.00 70.33 67.38 2jpq n THR 8 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2jpq h ASP 9 N 11.12 0.41 -0.27 8.00 3.58 -1.95 -0.68 116.42 136.63 2jpq h ASP 9 Ca -0.38 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.18 2jpq h ASP 9 Cb 1.30 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.29 2jpq h ASP 9 CO 0.98 0.24 -0.02 -0.33 -2.88 0.00 0.00 179.24 177.23 2jpq h GLU 10 N 0.56 0.05 -0.40 0.28 5.08 -1.98 -0.41 114.58 117.76 2jpq h GLU 10 Ca 0.32 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 2jpq h GLU 10 Cb 0.33 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2jpq h GLU 10 CO -0.26 0.03 0.08 0.37 -1.00 0.00 0.00 179.01 178.24 2jpq h GLN 11 N 0.05 0.21 -0.38 2.33 4.15 -1.52 0.40 115.11 120.35 2jpq h GLN 11 Ca 0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 2jpq h GLN 11 Cb 0.18 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2jpq h GLN 11 CO -0.24 0.14 0.21 0.28 -1.93 0.00 0.00 178.83 177.29 2jpq h VAL 12 N 0.21 1.14 -0.37 2.39 2.07 -1.17 -2.29 116.25 118.25 2jpq h VAL 12 Ca 0.19 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2jpq h VAL 12 Cb 0.22 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2jpq h VAL 12 CO -0.25 0.15 0.08 -0.08 0.02 0.00 0.00 177.57 177.49 2jpq h GLU 13 N 0.49 0.54 -0.12 1.57 4.81 0.14 0.11 114.58 122.12 2jpq h GLU 13 Ca 0.14 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2jpq h GLU 13 Cb 0.04 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2jpq h GLU 13 CO -0.02 0.50 0.01 0.87 -0.73 0.00 0.00 179.01 179.64 2jpq h LYS 14 N 0.53 0.20 -0.60 1.92 1.79 0.09 0.55 116.57 121.04 2jpq h LYS 14 Ca 0.12 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 2jpq h LYS 14 Cb 0.21 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 2jpq h LYS 14 CO -0.00 0.42 0.20 0.82 -1.08 0.00 0.00 179.45 179.80 2jpq h ILE 15 N -0.05 1.24 -0.64 1.86 2.04 -1.04 -2.04 117.51 118.87 2jpq h ILE 15 Ca 0.03 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.11 2jpq h ILE 15 Cb 0.32 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2jpq h ILE 15 CO 0.00 0.31 0.43 -0.07 0.00 0.00 0.00 178.15 178.82 2jpq h LEU 16 N 0.85 0.70 -0.16 1.44 3.38 -0.66 -0.04 115.31 120.82 2jpq h LEU 16 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2jpq h LEU 16 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jpq h LEU 16 CO -0.01 0.49 0.08 0.00 0.09 0.00 0.00 178.44 179.09 2jpq h ALA 17 N 1.61 0.21 -0.28 1.53 0.00 -0.21 0.24 119.26 122.36 2jpq h ALA 17 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jpq h ALA 17 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jpq h ALA 17 CO -0.06 -0.23 0.12 0.93 0.00 0.00 0.00 179.25 180.01 2jpq h GLU 18 N 0.13 0.41 -0.78 0.00 5.08 -0.88 -2.19 114.58 116.36 2jpq h GLU 18 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2jpq h GLU 18 Cb 0.12 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2jpq h GLU 18 CO -0.01 0.42 0.45 0.28 -1.00 0.00 0.00 179.01 179.15 2jpq h VAL 19 N 0.30 1.23 -0.72 3.13 2.07 -0.90 -2.22 116.25 119.14 2jpq h VAL 19 Ca 0.09 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.09 2jpq h VAL 19 Cb 0.16 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2jpq h VAL 19 CO -0.01 0.24 0.48 0.00 0.02 0.00 0.00 177.57 178.31 2jpq h ALA 20 N 1.23 1.49 -0.04 1.67 0.00 -0.34 -1.25 119.26 122.02 2jpq h ALA 20 Ca 0.28 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 2jpq h ALA 20 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2jpq h ALA 20 CO -0.05 0.47 -0.49 -0.07 0.00 0.00 0.00 179.25 179.11 2jpq h LEU 21 N 0.97 0.11 -0.50 0.00 3.38 -0.82 0.17 115.31 118.62 2jpq h LEU 21 Ca 0.27 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 2jpq h LEU 21 Cb -0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2jpq h LEU 21 CO -0.06 0.58 0.02 0.58 0.09 0.00 0.00 178.44 179.65 2jpq h VAL 22 N 0.08 1.26 -0.40 1.22 2.07 -0.73 -1.21 116.25 118.55 2jpq h VAL 22 Ca 0.00 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 2jpq h VAL 22 Cb 0.89 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2jpq h VAL 22 CO 0.07 0.37 -0.32 -0.07 0.02 0.00 0.00 177.57 177.64 2jpq h LEU 23 N 0.73 0.94 -0.36 2.57 3.38 -0.95 -3.00 115.31 118.63 2jpq h LEU 23 Ca 0.14 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2jpq h LEU 23 Cb 0.49 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jpq h LEU 23 CO 0.02 1.18 0.08 -0.08 0.09 0.00 0.00 178.44 179.73 2jpq h GLU 24 N 0.75 0.58 0.00 1.13 4.81 -0.51 -1.03 114.58 120.31 2jpq h GLU 24 Ca 0.08 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2jpq h GLU 24 Cb 0.89 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 2jpq h GLU 24 CO 0.08 0.64 -0.15 1.57 -0.73 0.00 0.00 179.01 180.42 2jpq h LYS 25 N 0.43 0.00 -0.01 1.92 2.10 -1.24 -1.31 116.57 118.45 2jpq h LYS 25 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2jpq h LYS 25 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2jpq h LYS 25 CO 0.00 0.15 -0.29 0.72 -2.00 0.00 0.00 179.45 178.03 2jpq n HIS 26 N -3.44 0.00 -3.74 0.07 8.25 -1.05 -4.96 115.22 110.34 2jpq n HIS 26 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 2jpq n HIS 26 Cb 0.32 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.41 2jpq n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jpq n ALA 27 N -0.26 -1.59 -1.85 -1.41 0.00 -0.48 -4.88 120.51 110.04 2jpq n ALA 27 Ca 0.12 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 2jpq n ALA 27 Cb 0.40 -3.69 -0.03 0.00 0.00 0.00 0.00 19.45 16.13 2jpq n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpq s ALA 28 N -3.42 3.81 0.81 0.00 0.00 -0.69 -5.00 121.76 117.27 2jpq s ALA 28 Ca 0.38 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.68 2jpq s ALA 28 Cb -0.18 -3.64 0.08 0.00 0.00 0.00 0.00 23.12 19.38 2jpq s ALA 28 CO 0.80 -0.84 1.09 -1.54 0.00 0.00 0.00 175.76 175.27 2jpq s SER 29 N 1.00 4.31 0.21 0.00 1.04 -1.26 -4.74 113.70 114.26 2jpq s SER 29 Ca 0.70 1.45 -0.09 0.00 0.48 0.00 0.00 55.95 58.48 2jpq s SER 29 Cb -0.46 -2.18 0.30 0.00 0.10 0.00 0.00 66.02 63.79 2jpq s SER 29 CO 0.34 -2.10 1.72 -0.65 0.98 0.00 0.00 173.24 173.54 2jpq h PRO 30 N -1.18 0.33 -0.39 4.02 0.11 -1.98 0.33 132.00 133.25 2jpq h PRO 30 Ca -0.47 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 2jpq h PRO 30 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jpq h PRO 30 CO 0.57 0.22 -0.36 0.93 -0.21 0.00 0.00 178.00 179.15 2jpq h GLU 31 N 0.34 0.91 -0.26 1.05 5.08 -1.98 -0.38 114.58 119.34 2jpq h GLU 31 Ca 0.32 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2jpq h GLU 31 Cb 0.44 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2jpq h GLU 31 CO -0.36 1.11 0.12 1.25 -1.00 0.00 0.00 179.01 180.13 2jpq h LEU 32 N 0.75 0.35 -0.25 1.33 5.85 -1.78 0.39 115.31 121.95 2jpq h LEU 32 Ca 0.07 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2jpq h LEU 32 Cb 0.94 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 2jpq h LEU 32 CO 0.09 0.39 -0.13 0.74 -0.34 0.00 0.00 178.44 179.18 2jpq h THR 33 N 0.29 0.60 -0.16 1.05 2.02 -0.24 0.14 112.91 116.60 2jpq h THR 33 Ca 0.09 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 2jpq h THR 33 Cb 0.14 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2jpq h THR 33 CO -0.01 0.00 -0.51 0.25 0.37 0.00 0.00 175.52 175.62 2jpq h LEU 34 N -0.11 0.49 -1.19 2.58 6.46 -0.84 -2.31 115.31 120.39 2jpq h LEU 34 Ca 0.13 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.59 2jpq h LEU 34 Cb 0.31 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 2jpq h LEU 34 CO -0.32 0.92 -0.08 -0.03 -0.62 0.00 0.00 178.44 178.31 2jpq h MET 35 N 0.35 0.47 -0.55 1.25 4.05 0.19 -1.18 114.93 119.51 2jpq h MET 35 Ca 0.01 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 2jpq h MET 35 Cb 1.02 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.74 2jpq h MET 35 CO 0.09 0.55 0.13 0.82 0.23 0.00 0.00 176.91 178.74 2jpq h ILE 36 N 0.44 1.25 -0.91 1.77 2.04 -0.56 -0.90 117.51 120.64 2jpq h ILE 36 Ca 0.09 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.11 2jpq h ILE 36 Cb 0.41 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2jpq h ILE 36 CO 0.02 0.32 0.58 0.00 0.00 0.00 0.00 178.15 179.08 2jpq h ALA 37 N 1.01 1.21 -0.75 1.87 0.00 -0.85 0.68 119.26 122.44 2jpq h ALA 37 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jpq h ALA 37 Cb 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2jpq h ALA 37 CO 0.00 0.42 0.33 0.78 0.00 0.00 0.00 179.25 180.78 2jpq h GLY 38 N 1.12 1.18 1.01 0.00 0.00 -0.87 -1.66 103.07 103.84 2jpq h GLY 38 Ca 0.37 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2jpq h GLY 38 CO -0.13 0.58 0.37 3.43 0.00 0.00 0.00 176.54 180.79 2jpq h ASN 39 N 1.06 0.93 0.37 0.19 2.35 -0.27 -0.64 115.58 119.57 2jpq h ASN 39 Ca 0.25 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2jpq h ASN 39 Cb 0.17 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2jpq h ASN 39 CO -0.03 0.79 -0.34 0.40 -1.65 0.00 0.00 177.43 176.59 2jpq h ILE 40 N 1.01 0.29 0.16 2.81 2.04 -0.48 -0.27 117.51 123.08 2jpq h ILE 40 Ca 0.25 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.12 2jpq h ILE 40 Cb 0.08 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2jpq h ILE 40 CO -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.90 2jpq h ALA 41 N -0.26 -0.40 -0.77 1.87 0.00 -1.20 -1.06 119.26 117.45 2jpq h ALA 41 Ca -0.03 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2jpq h ALA 41 Cb 0.65 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2jpq h ALA 41 CO -0.05 -0.76 0.42 1.15 0.00 0.00 0.00 179.25 180.02 2jpq h THR 42 N -0.43 0.89 -0.19 0.00 2.02 -1.04 0.40 112.91 114.57 2jpq h THR 42 Ca 0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2jpq h THR 42 Cb 0.43 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2jpq h THR 42 CO -0.09 0.13 0.06 -1.13 0.37 0.00 0.00 175.52 174.87 2jpq h ASN 43 N 0.72 0.28 -0.20 4.18 -1.24 -0.78 -1.79 115.58 116.75 2jpq h ASN 43 Ca 0.37 -0.20 -0.08 0.00 0.71 0.00 0.00 56.30 57.10 2jpq h ASN 43 Cb 0.35 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2jpq h ASN 43 CO -0.25 0.40 -0.13 0.58 -1.29 0.00 0.00 177.43 176.75 2jpq h VAL 44 N 0.14 1.24 0.00 2.57 2.07 -0.49 0.26 116.25 122.04 2jpq h VAL 44 Ca 0.06 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2jpq h VAL 44 Cb 0.22 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2jpq h VAL 44 CO -0.00 0.36 -0.15 -0.07 0.02 0.00 0.00 177.57 177.72 2jpq h LEU 45 N 0.54 0.00 0.11 2.57 3.38 0.06 -2.86 115.31 119.11 2jpq h LEU 45 Ca 0.10 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.72 2jpq h LEU 45 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2jpq h LEU 45 CO 0.03 0.15 -1.87 0.78 0.09 0.00 0.00 178.44 177.62 2jpq h ASN 46 N 0.00 0.38 -3.79 -0.43 2.35 -0.59 -3.45 115.58 110.05 2jpq h ASN 46 Ca -0.00 -0.90 -0.32 0.00 -0.55 0.00 0.00 56.30 54.53 2jpq h ASN 46 Cb 0.37 -0.12 -0.30 0.00 0.05 0.00 0.00 38.32 38.33 2jpq h ASN 46 CO 0.02 1.80 -0.75 0.00 -1.65 0.00 0.00 177.43 176.85 2jpq s GLN 47 N -2.53 0.39 0.00 0.81 -2.07 0.84 -4.77 119.66 112.32 2jpq s GLN 47 Ca -0.23 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2jpq s GLN 47 Cb 0.06 -0.41 0.00 0.00 -1.09 0.00 0.00 33.01 31.57 2jpq s GLN 47 CO 0.75 0.05 0.00 0.54 -1.32 0.00 0.00 175.29 175.31 2jpq n ARG 48 N 3.24 0.00 -4.03 9.60 1.74 -1.25 -3.68 116.66 122.28 2jpq n ARG 48 Ca -0.16 0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 2jpq n ARG 48 Cb 0.57 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 2jpq n ARG 48 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jpq s VAL 49 N -2.00 0.19 0.68 1.55 0.11 -1.15 -4.97 120.40 114.81 2jpq s VAL 49 Ca 0.00 -1.59 -0.11 0.00 -2.93 0.00 0.00 61.98 57.34 2jpq s VAL 49 Cb 0.00 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 2jpq s VAL 49 CO 0.00 -0.88 1.08 0.00 -3.33 0.00 0.00 175.10 171.97 2jpq s ALA 50 N -3.64 2.92 0.06 1.54 0.00 -1.26 -4.94 121.76 116.44 2jpq s ALA 50 Ca 0.04 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2jpq s ALA 50 Cb 0.06 -3.05 -0.22 0.00 0.00 0.00 0.00 23.12 19.91 2jpq s ALA 50 CO -0.09 -1.03 1.18 0.00 0.00 0.00 0.00 175.76 175.82 2jpq h ALA 51 N -0.58 0.14 -0.37 0.00 0.00 -1.98 -0.58 119.26 115.90 2jpq h ALA 51 Ca -0.45 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 53.79 2jpq h ALA 51 Cb 1.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2jpq h ALA 51 CO 0.63 0.57 0.07 0.77 0.00 0.00 0.00 179.25 181.29 2jpq h SER 52 N 0.26 0.51 0.46 0.00 0.02 -2.02 -2.21 113.55 110.58 2jpq h SER 52 Ca -0.10 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2jpq h SER 52 Cb 1.51 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2jpq h SER 52 CO 0.17 0.53 -0.33 1.67 -1.14 0.00 0.00 176.83 177.73 2jpq n GLN 53 N -4.32 0.31 0.11 3.45 -0.06 -1.19 -4.23 117.38 111.46 2jpq n GLN 53 Ca 0.02 -0.16 -0.04 0.00 -2.00 0.00 0.00 57.00 54.82 2jpq n GLN 53 Cb 0.20 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 24.87 2jpq n GLN 53 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2jpq h ARG 54 N 0.39 -0.27 0.00 3.69 2.43 -0.43 0.40 114.38 120.58 2jpq h ARG 54 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2jpq h ARG 54 Cb 0.48 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2jpq h ARG 54 CO 0.00 -0.18 -0.51 -0.22 -1.51 0.00 0.00 179.97 177.55 2jpq h LYS 55 N -0.29 0.00 -0.11 0.20 3.64 -1.79 -2.56 116.57 115.66 2jpq h LYS 55 Ca -0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2jpq h LYS 55 Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jpq h LYS 55 CO 0.05 0.51 0.01 1.25 -2.27 0.00 0.00 179.45 178.99 2jpq h LEU 56 N 0.00 0.18 -0.87 5.20 6.46 -1.71 0.22 115.31 124.79 2jpq h LEU 56 Ca -0.01 -0.29 -0.12 0.00 -0.12 0.00 0.00 57.88 57.35 2jpq h LEU 56 Cb 1.12 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 2jpq h LEU 56 CO 0.07 0.43 -0.47 -0.29 -0.62 0.00 0.00 178.44 177.55 2jpq h ILE 57 N -0.07 1.34 -0.42 4.05 2.10 -0.21 0.45 117.51 124.75 2jpq h ILE 57 Ca 0.03 -1.67 -0.06 0.00 1.08 0.00 0.00 64.86 64.24 2jpq h ILE 57 Cb 0.33 1.80 -0.02 0.00 -1.09 0.00 0.00 36.82 37.84 2jpq h ILE 57 CO 0.00 0.49 0.02 0.00 -1.08 0.00 0.00 178.15 177.59 2jpq h ALA 58 N 1.34 0.57 -0.30 0.18 0.00 -1.27 0.13 119.26 119.91 2jpq h ALA 58 Ca 0.01 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2jpq h ALA 58 Cb 0.90 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jpq h ALA 58 CO 0.07 0.33 -0.53 1.49 0.00 0.00 0.00 179.25 180.62 2jpq h GLU 59 N 0.57 0.88 -0.91 0.00 4.81 -0.70 -0.76 114.58 118.47 2jpq h GLU 59 Ca 0.12 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2jpq h GLU 59 Cb 0.45 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2jpq h GLU 59 CO 0.02 1.19 0.59 0.87 -0.73 0.00 0.00 179.01 180.95 2jpq h LYS 60 N 0.67 1.21 0.12 1.92 1.57 -0.84 -1.24 116.57 119.97 2jpq h LYS 60 Ca 0.02 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2jpq h LYS 60 Cb 1.13 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2jpq h LYS 60 CO 0.12 0.81 -0.06 0.35 -0.57 0.00 0.00 179.45 180.10 2jpq h PHE 61 N 1.24 -0.15 -0.94 -1.35 3.57 -0.52 -0.17 116.94 118.62 2jpq h PHE 61 Ca 0.33 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.90 2jpq h PHE 61 Cb -0.12 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.60 2jpq h PHE 61 CO -0.01 -0.07 0.60 0.00 -2.23 0.00 0.00 178.31 176.61 2jpq h ALA 62 N 0.69 1.31 -0.17 2.41 0.00 -0.86 0.13 119.26 122.76 2jpq h ALA 62 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jpq h ALA 62 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jpq h ALA 62 CO 0.03 0.36 0.03 0.37 0.00 0.00 0.00 179.25 180.04 2jpq h GLN 63 N 1.08 0.29 -0.87 0.00 5.75 -1.02 -1.58 115.11 118.75 2jpq h GLN 63 Ca 0.41 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.86 2jpq h GLN 63 Cb 0.19 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 2jpq h GLN 63 CO -0.18 0.46 0.58 0.00 -2.65 0.00 0.00 178.83 177.04 2jpq h ALA 64 N 0.81 1.44 -0.56 3.38 0.00 -0.32 0.38 119.26 124.39 2jpq h ALA 64 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jpq h ALA 64 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jpq h ALA 64 CO 0.00 0.49 0.16 1.25 0.00 0.00 0.00 179.25 181.15 2jpq h LEU 65 N 1.11 0.82 -0.78 0.00 5.85 -0.56 -0.90 115.31 120.85 2jpq h LEU 65 Ca 0.34 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 2jpq h LEU 65 Cb -0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2jpq h LEU 65 CO -0.10 0.82 -0.58 0.24 -0.34 0.00 0.00 178.44 178.48 2jpq h MET 66 N 0.78 0.09 0.00 1.25 2.86 -0.48 -1.84 114.93 117.59 2jpq h MET 66 Ca 0.18 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2jpq h MET 66 Cb 0.30 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2jpq h MET 66 CO -0.00 0.64 0.00 0.77 1.06 0.00 0.00 176.91 179.38 2jpq h SER 67 N 0.07 0.00 -0.33 1.22 0.02 0.19 -2.35 113.55 112.36 2jpq h SER 67 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jpq h SER 67 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2jpq h SER 67 CO 0.08 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.23 2jpq n SER 68 N -2.93 3.26 -4.46 3.07 3.41 -0.39 -4.92 113.62 110.66 2jpq n SER 68 Ca 0.01 -2.31 -0.43 0.00 -0.26 0.00 0.00 58.87 55.88 2jpq n SER 68 Cb 0.33 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2jpq n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jpq s LEU 69 N -1.55 5.03 -0.68 1.04 2.96 -0.72 -5.01 118.68 119.74 2jpq s LEU 69 Ca 0.29 -0.85 -0.27 0.00 -0.22 0.00 0.00 54.13 53.08 2jpq s LEU 69 Cb 0.19 -2.37 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 2jpq s LEU 69 CO 0.14 -0.68 1.63 -1.61 -1.32 0.00 0.00 176.35 174.51 2jpq s GLU 70 N 2.19 2.86 -0.52 1.98 0.41 -1.26 -4.91 118.70 119.45 2jpq s GLU 70 Ca 0.12 0.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.92 2jpq s GLU 70 Cb -0.19 -4.35 0.14 0.00 -1.78 0.00 0.00 34.13 27.96 2jpq s GLU 70 CO 0.12 -2.51 0.30 0.99 -0.49 0.00 0.00 175.26 173.66 2jpq s THR 71 N 7.72 2.14 -0.09 3.63 2.01 -1.26 -4.95 115.64 124.83 2jpq s THR 71 Ca 0.54 -3.21 -0.23 0.00 0.31 0.00 0.00 61.69 59.10 2jpq s THR 71 Cb -0.10 -2.47 -0.28 0.00 0.01 0.00 0.00 72.50 69.65 2jpq s THR 71 CO 0.17 -0.89 0.77 1.55 -0.69 0.00 0.00 174.62 175.53 2jpq h PRO 72 N 6.34 0.18 -1.83 4.92 0.13 -2.05 -3.50 132.00 136.18 2jpq h PRO 72 Ca 0.00 -0.31 0.27 0.00 -0.87 0.00 0.00 66.00 65.09 2jpq h PRO 72 Cb 0.88 0.11 -0.10 0.00 0.13 0.00 0.00 31.00 32.02 2jpq h PRO 72 CO 0.61 1.15 0.69 -1.59 -0.23 0.00 0.00 178.00 178.63 2jpq s LYS 73 N -2.36 0.73 0.00 0.86 -2.85 -1.26 -5.07 119.74 109.79 2jpq s LYS 73 Ca -0.17 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 2jpq s LYS 73 Cb 0.00 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 2jpq s LYS 73 CO 0.76 -0.34 0.00 -2.37 0.10 0.00 0.00 175.35 173.51 2jpq n THR 74 N -0.50 0.00 0.00 3.79 5.66 -1.26 -5.10 114.28 116.87 2jpq n THR 74 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2jpq n THR 74 Cb 0.62 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 2jpq n THR 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jpq n HIS 75 N -2.27 0.00 0.00 1.09 1.44 -1.26 -5.13 115.22 109.09 2jpq n HIS 75 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2jpq n HIS 75 Cb 0.25 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.36 2jpq n HIS 75 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2jpq n LEU 76 N 0.00 0.96 -2.31 2.39 4.32 -1.26 -4.90 117.00 116.20 2jpq n LEU 76 Ca 0.00 0.04 -0.18 0.00 -0.02 0.00 0.00 56.01 55.85 2jpq n LEU 76 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 2jpq n LEU 76 CO 0.00 0.00 -0.23 -0.62 -1.22 0.00 0.00 177.39 175.32 2jpq n GLU 77 N -0.20 -1.79 -4.33 3.23 1.02 -1.26 -4.97 120.64 112.34 2jpq n GLU 77 Ca 0.00 0.92 -0.33 0.00 -0.02 0.00 0.00 57.16 57.73 2jpq n GLU 77 Cb 0.00 -5.53 -0.16 0.00 -0.02 0.00 0.00 31.44 25.73 2jpq n GLU 77 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jpq s HIS 78 N -2.88 2.74 -0.00 -0.32 3.76 -1.26 -5.04 115.29 112.29 2jpq s HIS 78 Ca 0.00 -1.53 -0.01 0.00 -0.15 0.00 0.00 55.06 53.37 2jpq s HIS 78 Cb 0.00 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.81 2jpq s HIS 78 CO 0.00 -0.73 -0.01 1.58 -0.85 0.00 0.00 174.74 174.72 2jpq n HIS 79 N 4.41 0.00 -1.10 1.40 -0.00 -1.26 -5.14 115.22 113.53 2jpq n HIS 79 Ca -0.21 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.02 2jpq n HIS 79 Cb 0.51 -0.02 -0.02 0.00 -0.12 0.00 0.00 29.99 30.34 2jpq n HIS 79 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jpq n HIS 80 N -2.60 -3.00 -0.03 1.57 8.25 -1.26 -4.87 115.22 113.29 2jpq n HIS 80 Ca -0.00 1.64 0.03 0.00 -0.26 0.00 0.00 57.72 59.12 2jpq n HIS 80 Cb 0.02 -2.68 -0.12 0.00 1.12 0.00 0.00 29.99 28.32 2jpq n HIS 80 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jpq n HIS 81 N -2.76 0.00 0.00 4.41 1.44 -1.26 -4.78 115.22 112.26 2jpq n HIS 81 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2jpq n HIS 81 Cb 0.40 -0.50 0.00 0.00 0.12 0.00 0.00 29.99 30.01 2jpq n HIS 81 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jpq n HIS 82 N -2.23 0.00 -1.09 -1.40 -0.00 -1.26 -5.38 115.22 103.86 2jpq n HIS 82 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 2jpq n HIS 82 Cb 0.62 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 2jpq n HIS 82 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92