#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 3.15 -0.25 2.12 0.02 -1.26 -4.98 135.00 133.80 2jpq s PRO 2 Ca 0.00 0.87 -0.10 0.00 0.02 0.00 0.00 61.00 61.79 2jpq s PRO 2 Cb 0.00 -4.21 -0.05 0.00 0.02 0.00 0.00 34.50 30.26 2jpq s PRO 2 CO 0.00 -2.10 0.14 -1.50 -0.33 0.00 0.00 177.00 173.22 2jpq s ILE 3 N 7.13 5.11 0.00 2.83 1.10 -1.26 -4.82 121.20 131.29 2jpq s ILE 3 Ca 0.66 0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.90 2jpq s ILE 3 Cb -0.15 -3.39 0.00 0.00 0.15 0.00 0.00 42.46 39.06 2jpq s ILE 3 CO 0.27 0.33 0.00 0.41 -2.11 0.00 0.00 174.94 173.84 2jpq n THR 4 N 4.53 0.00 -3.97 4.00 -1.04 -1.26 -4.73 114.28 111.81 2jpq n THR 4 Ca -0.15 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.88 2jpq n THR 4 Cb 0.52 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.04 2jpq n THR 4 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2jpq n SER 5 N 2.76 -1.17 -0.09 8.00 2.88 -1.26 -5.08 113.62 119.66 2jpq n SER 5 Ca 0.00 -1.33 -0.11 0.00 -1.33 0.00 0.00 58.87 56.10 2jpq n SER 5 Cb 0.00 1.84 -0.04 0.00 -0.75 0.00 0.00 64.21 65.26 2jpq n SER 5 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jpq n LYS 6 N -0.81 0.50 -1.40 -1.46 5.02 -1.26 -5.10 118.16 113.65 2jpq n LYS 6 Ca 0.03 0.45 0.18 0.00 -2.02 0.00 0.00 58.31 56.95 2jpq n LYS 6 Cb 0.53 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 2jpq n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jpq n TYR 7 N -4.52 -3.53 -2.51 2.13 4.01 -1.26 -4.65 117.16 106.83 2jpq n TYR 7 Ca -0.17 1.84 -0.43 0.00 -0.16 0.00 0.00 57.90 58.98 2jpq n TYR 7 Cb 0.44 -3.21 -0.02 0.00 -0.31 0.00 0.00 39.34 36.24 2jpq n TYR 7 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jpq s THR 8 N -3.10 4.33 0.29 -0.72 2.01 -1.26 -4.93 115.64 112.27 2jpq s THR 8 Ca 0.00 1.55 0.05 0.00 0.31 0.00 0.00 61.69 63.60 2jpq s THR 8 Cb 0.00 -4.22 0.05 0.00 0.01 0.00 0.00 72.50 68.34 2jpq s THR 8 CO 0.00 -0.38 1.71 -2.24 -0.69 0.00 0.00 174.62 173.02 2jpq h ASP 9 N 8.51 0.35 -0.49 3.53 2.03 -1.99 0.06 116.42 128.42 2jpq h ASP 9 Ca -0.24 -0.13 -0.06 0.00 -0.73 0.00 0.00 57.03 55.87 2jpq h ASP 9 Cb 1.08 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.47 2jpq h ASP 9 CO 1.01 0.68 0.09 -0.33 -1.03 0.00 0.00 179.24 179.67 2jpq h GLU 10 N 0.29 0.80 -0.13 4.15 3.07 -1.98 -0.25 114.58 120.53 2jpq h GLU 10 Ca 0.03 -0.21 0.03 0.00 -0.50 0.00 0.00 59.36 58.71 2jpq h GLU 10 Cb 0.76 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 2jpq h GLU 10 CO 0.06 0.80 -0.05 0.37 -1.40 0.00 0.00 179.01 178.79 2jpq h GLN 11 N 0.68 -0.02 -0.70 2.33 5.75 -1.75 0.20 115.11 121.61 2jpq h GLN 11 Ca 0.15 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.66 2jpq h GLN 11 Cb 0.38 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 2jpq h GLN 11 CO 0.01 -0.01 0.46 0.28 -2.65 0.00 0.00 178.83 176.91 2jpq h VAL 12 N -0.02 1.17 -0.62 2.39 2.07 -0.92 -1.34 116.25 118.98 2jpq h VAL 12 Ca 0.07 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jpq h VAL 12 Cb 0.13 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2jpq h VAL 12 CO -0.15 0.17 0.38 -0.08 0.02 0.00 0.00 177.57 177.91 2jpq h GLU 13 N 0.94 0.83 -0.35 1.57 4.81 -0.26 0.80 114.58 122.92 2jpq h GLU 13 Ca 0.26 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2jpq h GLU 13 Cb -0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 2jpq h GLU 13 CO -0.06 0.59 -0.21 0.87 -0.73 0.00 0.00 179.01 179.47 2jpq h LYS 14 N 0.84 0.68 0.26 1.92 1.79 -0.27 0.19 116.57 121.97 2jpq h LYS 14 Ca 0.22 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2jpq h LYS 14 Cb -0.03 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2jpq h LYS 14 CO -0.04 0.85 -0.13 0.82 -1.08 0.00 0.00 179.45 179.87 2jpq h ILE 15 N 0.60 0.78 -0.95 1.86 2.04 -0.84 -1.74 117.51 119.26 2jpq h ILE 15 Ca 0.09 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2jpq h ILE 15 Cb 0.69 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 2jpq h ILE 15 CO 0.05 0.06 0.62 -0.07 0.00 0.00 0.00 178.15 178.81 2jpq h LEU 16 N -0.49 1.00 0.00 1.44 3.38 -0.60 -0.74 115.31 119.31 2jpq h LEU 16 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jpq h LEU 16 Cb 0.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jpq h LEU 16 CO 0.06 0.66 -0.00 0.00 0.09 0.00 0.00 178.44 179.25 2jpq h ALA 17 N 1.41 -0.01 -0.50 1.53 0.00 -0.52 0.23 119.26 121.41 2jpq h ALA 17 Ca 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2jpq h ALA 17 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jpq h ALA 17 CO -0.15 -0.49 0.23 0.93 0.00 0.00 0.00 179.25 179.77 2jpq h GLU 18 N -0.03 0.72 -0.33 0.00 5.08 -0.95 0.84 114.58 119.91 2jpq h GLU 18 Ca -0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jpq h GLU 18 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jpq h GLU 18 CO 0.00 0.62 0.21 0.28 -1.00 0.00 0.00 179.01 179.12 2jpq h VAL 19 N 0.66 1.10 -0.45 3.13 2.07 -0.94 -0.42 116.25 121.40 2jpq h VAL 19 Ca 0.17 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2jpq h VAL 19 Cb 0.14 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2jpq h VAL 19 CO -0.02 0.10 0.11 0.00 0.02 0.00 0.00 177.57 177.78 2jpq h ALA 20 N 1.10 1.35 -0.31 1.67 0.00 -0.29 -1.88 119.26 120.89 2jpq h ALA 20 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2jpq h ALA 20 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jpq h ALA 20 CO -0.02 0.47 -0.22 1.25 0.00 0.00 0.00 179.25 180.72 2jpq h LEU 21 N 0.66 0.60 -0.81 0.00 5.85 -0.25 0.59 115.31 121.95 2jpq h LEU 21 Ca 0.15 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2jpq h LEU 21 Cb 0.25 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2jpq h LEU 21 CO -0.00 0.81 0.44 0.58 -0.34 0.00 0.00 178.44 179.93 2jpq h VAL 22 N 0.53 1.24 -0.37 1.05 2.07 -0.33 0.66 116.25 121.10 2jpq h VAL 22 Ca 0.08 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2jpq h VAL 22 Cb 0.67 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2jpq h VAL 22 CO 0.05 0.27 -0.01 -0.07 0.02 0.00 0.00 177.57 177.83 2jpq h LEU 23 N 1.12 0.65 -0.21 2.57 3.38 -0.92 -1.85 115.31 120.06 2jpq h LEU 23 Ca 0.28 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jpq h LEU 23 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2jpq h LEU 23 CO -0.05 0.81 0.09 -0.08 0.09 0.00 0.00 178.44 179.30 2jpq h GLU 24 N 0.48 0.30 -0.90 1.13 4.22 -0.48 0.35 114.58 119.68 2jpq h GLU 24 Ca 0.10 -0.05 0.15 0.00 0.08 0.00 0.00 59.36 59.65 2jpq h GLU 24 Cb 0.48 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.58 2jpq h GLU 24 CO 0.02 0.35 0.49 -0.22 -2.18 0.00 0.00 179.01 177.47 2jpq h LYS 25 N 0.19 0.66 -0.61 1.92 3.64 0.43 -1.44 116.57 121.37 2jpq h LYS 25 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jpq h LYS 25 Cb 0.15 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2jpq h LYS 25 CO -0.01 0.44 0.00 0.72 -2.27 0.00 0.00 179.45 178.33 2jpq n HIS 26 N -4.83 0.81 -3.72 1.91 8.25 -0.71 -4.94 115.22 111.99 2jpq n HIS 26 Ca 0.19 -0.40 -0.25 0.00 -0.26 0.00 0.00 57.72 56.99 2jpq n HIS 26 Cb 0.46 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.62 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 1.48 -1.48 -2.08 -1.41 0.00 -0.32 -4.88 120.51 111.82 2jpq n ALA 27 Ca 0.22 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 2jpq n ALA 27 Cb 0.58 -4.30 -0.03 0.00 0.00 0.00 0.00 19.45 15.70 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 -3.37 3.30 0.81 0.00 0.00 0.11 -4.98 121.76 117.64 2jpq s ALA 28 Ca 0.47 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 2jpq s ALA 28 Cb -0.22 -3.84 0.09 0.00 0.00 0.00 0.00 23.12 19.14 2jpq s ALA 28 CO 0.78 -1.90 1.15 -1.12 0.00 0.00 0.00 175.76 174.68 2jpq s SER 29 N 4.24 3.75 0.27 0.00 0.01 -1.26 -4.65 113.70 116.05 2jpq s SER 29 Ca 0.73 2.16 0.00 0.00 1.31 0.00 0.00 55.95 60.15 2jpq s SER 29 Cb -0.26 -2.56 0.61 0.00 0.21 0.00 0.00 66.02 64.01 2jpq s SER 29 CO 0.29 -2.55 1.71 -0.65 0.41 0.00 0.00 173.24 172.45 2jpq h PRO 30 N -1.13 0.40 0.18 12.44 0.11 -1.98 0.43 132.00 142.44 2jpq h PRO 30 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jpq h PRO 30 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2jpq h PRO 30 CO 0.47 0.26 -0.17 0.93 -0.21 0.00 0.00 178.00 179.28 2jpq h GLU 31 N 0.41 -0.36 -0.26 1.05 3.07 -2.00 -1.40 114.58 115.10 2jpq h GLU 31 Ca 0.50 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.34 2jpq h GLU 31 Cb 0.88 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 2jpq h GLU 31 CO -0.49 -0.24 -0.02 1.25 -1.40 0.00 0.00 179.01 178.11 2jpq h LEU 32 N -0.38 0.36 -0.24 1.33 5.85 -1.61 -1.09 115.31 119.53 2jpq h LEU 32 Ca -0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2jpq h LEU 32 Cb 0.35 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2jpq h LEU 32 CO -0.03 0.44 0.13 0.74 -0.34 0.00 0.00 178.44 179.37 2jpq h THR 33 N 0.38 1.12 0.00 1.05 2.02 0.30 -0.55 112.91 117.23 2jpq h THR 33 Ca 0.08 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 2jpq h THR 33 Cb 0.28 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2jpq h THR 33 CO 0.01 0.12 -0.47 0.25 0.37 0.00 0.00 175.52 175.80 2jpq h LEU 34 N 0.27 0.00 -0.77 2.58 5.85 -0.95 -2.30 115.31 119.99 2jpq h LEU 34 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jpq h LEU 34 Cb 0.08 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2jpq h LEU 34 CO -0.01 0.47 0.50 -0.03 -0.34 0.00 0.00 178.44 179.03 2jpq h MET 35 N 0.00 1.02 -0.11 1.25 4.05 -0.64 0.26 114.93 120.76 2jpq h MET 35 Ca -0.00 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2jpq h MET 35 Cb 0.88 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 2jpq h MET 35 CO 0.06 0.69 0.02 0.82 0.23 0.00 0.00 176.91 178.73 2jpq h ILE 36 N 1.05 0.95 -0.35 1.77 1.08 -0.59 0.85 117.51 122.27 2jpq h ILE 36 Ca 0.28 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 64.75 2jpq h ILE 36 Cb -0.10 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 2jpq h ILE 36 CO -0.06 0.01 0.17 0.00 -0.69 0.00 0.00 178.15 177.59 2jpq h ALA 37 N 1.08 0.43 -0.73 1.87 0.00 -0.94 0.63 119.26 121.59 2jpq h ALA 37 Ca 0.05 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jpq h ALA 37 Cb 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2jpq h ALA 37 CO -0.07 -0.20 0.45 0.78 0.00 0.00 0.00 179.25 180.21 2jpq h GLY 38 N 0.36 1.07 0.99 0.00 0.00 -0.26 -0.12 103.07 105.11 2jpq h GLY 38 Ca 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2jpq h GLY 38 CO -0.10 0.25 0.30 3.43 0.00 0.00 0.00 176.54 180.42 2jpq h ASN 39 N 0.85 0.77 0.50 0.19 2.35 -0.18 0.25 115.58 120.31 2jpq h ASN 39 Ca 0.31 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2jpq h ASN 39 Cb 0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2jpq h ASN 39 CO -0.14 0.67 -0.32 0.40 -1.65 0.00 0.00 177.43 176.39 2jpq h ILE 40 N 0.81 0.35 -0.58 2.81 2.04 -0.34 -0.43 117.51 122.17 2jpq h ILE 40 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.12 2jpq h ILE 40 Cb 0.09 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2jpq h ILE 40 CO -0.03 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.41 2jpq h ALA 41 N -0.35 0.75 -0.48 1.87 0.00 -0.91 -0.13 119.26 120.01 2jpq h ALA 41 Ca -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jpq h ALA 41 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2jpq h ALA 41 CO 0.05 -0.06 0.29 1.15 0.00 0.00 0.00 179.25 180.68 2jpq h THR 42 N 0.55 1.15 -0.31 0.00 2.02 -0.80 0.22 112.91 115.74 2jpq h THR 42 Ca 0.26 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 2jpq h THR 42 Cb 0.19 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2jpq h THR 42 CO -0.19 0.15 -0.20 0.78 0.37 0.00 0.00 175.52 176.44 2jpq h ASN 43 N 0.64 0.57 -0.31 4.18 2.35 -0.53 -0.04 115.58 122.44 2jpq h ASN 43 Ca 0.17 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2jpq h ASN 43 Cb -0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2jpq h ASN 43 CO -0.03 0.78 0.05 0.58 -1.65 0.00 0.00 177.43 177.16 2jpq h VAL 44 N 0.51 1.23 0.00 2.81 2.07 -0.59 0.73 116.25 123.02 2jpq h VAL 44 Ca 0.08 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 2jpq h VAL 44 Cb 0.63 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jpq h VAL 44 CO 0.04 0.27 -0.09 -0.07 0.02 0.00 0.00 177.57 177.75 2jpq h LEU 45 N 0.35 0.00 0.00 2.57 3.38 -0.05 0.17 115.31 121.73 2jpq h LEU 45 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2jpq h LEU 45 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2jpq h LEU 45 CO 0.01 0.09 -0.40 0.78 0.09 0.00 0.00 178.44 179.00 2jpq h ASN 46 N 0.00 0.00 0.00 -0.43 -0.26 -0.75 -3.43 115.58 110.71 2jpq h ASN 46 Ca -0.00 -0.32 -0.02 0.00 -0.56 0.00 0.00 56.30 55.40 2jpq h ASN 46 Cb 0.21 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.47 2jpq h ASN 46 CO 0.01 0.88 -0.74 0.00 -1.06 0.00 0.00 177.43 176.52 2jpq n GLN 47 N -4.63 0.48 0.02 0.81 6.02 0.23 -4.75 117.38 115.56 2jpq n GLN 47 Ca -0.11 0.42 -0.05 0.00 -0.01 0.00 0.00 57.00 57.25 2jpq n GLN 47 Cb 0.32 -1.60 -0.11 0.00 1.02 0.00 0.00 30.24 29.86 2jpq n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jpq h ARG 48 N -1.00 0.00 -7.33 -1.09 3.08 -1.47 -3.47 114.38 103.10 2jpq h ARG 48 Ca -0.03 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.52 2jpq h ARG 48 Cb 0.72 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.83 2jpq h ARG 48 CO -0.02 0.52 0.41 0.54 -1.07 0.00 0.00 179.97 180.35 2jpq s VAL 49 N -2.74 4.59 0.23 2.04 0.11 0.53 -5.01 120.40 120.15 2jpq s VAL 49 Ca -0.02 0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 59.62 2jpq s VAL 49 Cb 0.08 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 31.06 2jpq s VAL 49 CO 0.81 -1.04 1.29 0.00 -3.33 0.00 0.00 175.10 172.83 2jpq s ALA 50 N -3.08 3.51 0.25 1.54 0.00 -1.26 -4.92 121.76 117.79 2jpq s ALA 50 Ca 0.56 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 2jpq s ALA 50 Cb -0.11 -3.46 0.48 0.00 0.00 0.00 0.00 23.12 20.03 2jpq s ALA 50 CO 0.51 -0.52 1.74 0.00 0.00 0.00 0.00 175.76 177.49 2jpq h ALA 51 N 4.87 1.13 -0.10 0.00 0.00 -1.95 0.12 119.26 123.33 2jpq h ALA 51 Ca -0.46 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jpq h ALA 51 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jpq h ALA 51 CO 0.74 -0.17 0.00 0.45 0.00 0.00 0.00 179.25 180.27 2jpq n SER 52 N -4.96 1.28 -0.00 0.00 2.88 -1.26 -3.38 113.62 108.17 2jpq n SER 52 Ca 0.15 -1.59 0.06 0.00 -1.33 0.00 0.00 58.87 56.17 2jpq n SER 52 Cb 0.42 -0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.74 2jpq n SER 52 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jpq n GLN 53 N 0.05 2.35 -0.05 -1.46 -0.06 0.31 -4.68 117.38 113.84 2jpq n GLN 53 Ca 0.17 -0.02 -0.09 0.00 -2.00 0.00 0.00 57.00 55.05 2jpq n GLN 53 Cb 0.28 -1.14 -0.03 0.00 -4.06 0.00 0.00 30.24 25.29 2jpq n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2jpq h ARG 54 N 0.00 -0.31 -0.14 3.69 3.08 -1.26 0.28 114.38 119.72 2jpq h ARG 54 Ca 0.00 0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 2jpq h ARG 54 Cb 0.36 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2jpq h ARG 54 CO 0.00 -0.21 -0.35 -0.22 -1.07 0.00 0.00 179.97 178.12 2jpq h LYS 55 N -0.33 0.49 -0.29 0.04 1.63 -1.84 -2.53 116.57 113.75 2jpq h LYS 55 Ca 0.13 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2jpq h LYS 55 Cb 0.53 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2jpq h LYS 55 CO -0.42 0.95 0.19 -0.07 -3.45 0.00 0.00 179.45 176.65 2jpq h LEU 56 N 0.11 0.32 -0.83 5.20 3.38 -1.73 0.11 115.31 121.87 2jpq h LEU 56 Ca -0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2jpq h LEU 56 Cb 0.96 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2jpq h LEU 56 CO 0.08 0.23 -0.58 -0.29 0.09 0.00 0.00 178.44 177.97 2jpq h ILE 57 N 0.38 1.41 -0.37 1.22 2.10 -0.50 0.11 117.51 121.86 2jpq h ILE 57 Ca 0.11 -1.98 -0.15 0.00 1.08 0.00 0.00 64.86 63.92 2jpq h ILE 57 Cb -0.04 2.06 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2jpq h ILE 57 CO -0.03 0.57 -0.37 0.00 -1.08 0.00 0.00 178.15 177.23 2jpq h ALA 58 N 1.41 0.64 -0.52 0.18 0.00 -1.13 0.23 119.26 120.07 2jpq h ALA 58 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2jpq h ALA 58 Cb 1.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jpq h ALA 58 CO 0.08 0.67 0.28 1.49 0.00 0.00 0.00 179.25 181.77 2jpq h GLU 59 N 0.72 0.73 -0.29 0.00 4.22 -0.27 -1.30 114.58 118.39 2jpq h GLU 59 Ca 0.06 -0.09 -0.12 0.00 0.08 0.00 0.00 59.36 59.30 2jpq h GLU 59 Cb 0.95 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2jpq h GLU 59 CO 0.09 0.57 -0.31 0.87 -2.18 0.00 0.00 179.01 178.05 2jpq h LYS 60 N 0.70 0.60 -0.06 1.92 1.57 -0.64 -1.61 116.57 119.04 2jpq h LYS 60 Ca 0.18 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2jpq h LYS 60 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2jpq h LYS 60 CO -0.03 0.83 -0.02 0.35 -0.57 0.00 0.00 179.45 180.02 2jpq h PHE 61 N 0.51 -0.04 -0.75 -1.35 3.57 -0.26 0.15 116.94 118.77 2jpq h PHE 61 Ca 0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2jpq h PHE 61 Cb 0.79 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 2jpq h PHE 61 CO 0.03 -0.03 0.47 0.00 -2.23 0.00 0.00 178.31 176.55 2jpq h ALA 62 N 1.05 0.96 0.14 2.41 0.00 -1.07 0.07 119.26 122.81 2jpq h ALA 62 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jpq h ALA 62 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jpq h ALA 62 CO -0.07 0.41 -0.07 0.37 0.00 0.00 0.00 179.25 179.90 2jpq h GLN 63 N 1.03 -0.18 -0.59 0.00 4.15 -1.02 -1.40 115.11 117.10 2jpq h GLN 63 Ca 0.27 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.73 2jpq h GLN 63 Cb -0.07 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2jpq h GLN 63 CO -0.05 0.00 0.39 0.00 -1.93 0.00 0.00 178.83 177.24 2jpq h ALA 64 N 0.51 1.67 -0.12 3.38 0.00 -0.47 0.32 119.26 124.55 2jpq h ALA 64 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jpq h ALA 64 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jpq h ALA 64 CO 0.03 0.27 0.04 1.25 0.00 0.00 0.00 179.25 180.85 2jpq h LEU 65 N 0.71 0.18 -0.63 0.00 5.85 -0.75 -0.82 115.31 119.84 2jpq h LEU 65 Ca 0.23 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2jpq h LEU 65 Cb 0.05 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2jpq h LEU 65 CO -0.06 0.31 0.09 0.24 -0.34 0.00 0.00 178.44 178.68 2jpq h MET 66 N 0.03 1.05 0.00 1.25 2.86 -0.27 -1.83 114.93 118.03 2jpq h MET 66 Ca 0.04 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2jpq h MET 66 Cb 0.19 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2jpq h MET 66 CO -0.00 0.98 0.00 0.77 1.06 0.00 0.00 176.91 179.72 2jpq h SER 67 N 0.96 0.00 -0.17 1.22 0.02 -0.27 -1.41 113.55 113.89 2jpq h SER 67 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jpq h SER 67 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2jpq h SER 67 CO 0.01 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.50 2jpq n SER 68 N -2.65 3.01 -4.50 3.07 7.64 -0.33 -4.86 113.62 115.01 2jpq n SER 68 Ca 0.01 -1.92 -0.42 0.00 1.01 0.00 0.00 58.87 57.55 2jpq n SER 68 Cb 0.24 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2jpq n SER 68 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jpq s LEU 69 N -1.60 4.04 -0.88 -3.43 1.43 -0.53 -4.95 118.68 112.76 2jpq s LEU 69 Ca 0.29 -1.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.01 2jpq s LEU 69 Cb 0.19 -2.48 0.11 0.00 0.03 0.00 0.00 46.19 44.04 2jpq s LEU 69 CO 0.28 -1.47 1.12 -1.61 0.23 0.00 0.00 176.35 174.90 2jpq s GLU 70 N 4.37 3.50 -0.49 1.70 2.02 -1.26 -5.00 118.70 123.53 2jpq s GLU 70 Ca 0.33 -1.51 -0.21 0.00 0.02 0.00 0.00 54.97 53.60 2jpq s GLU 70 Cb -0.08 -4.82 0.04 0.00 0.10 0.00 0.00 34.13 29.37 2jpq s GLU 70 CO 0.03 -1.82 0.70 0.95 0.02 0.00 0.00 175.26 175.13 2jpq s THR 71 N 3.19 4.76 -0.87 3.63 -4.23 -1.26 -5.00 115.64 115.86 2jpq s THR 71 Ca 0.32 -0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.49 2jpq s THR 71 Cb -0.07 -4.31 0.00 0.00 1.34 0.00 0.00 72.50 69.46 2jpq s THR 71 CO -0.06 -0.78 1.66 -2.16 -0.54 0.00 0.00 174.62 172.74 2jpq s PRO 72 N 2.97 3.02 -0.08 3.99 0.04 -1.26 -4.97 135.00 138.70 2jpq s PRO 72 Ca 0.21 -0.41 -0.21 0.00 0.04 0.00 0.00 61.00 60.63 2jpq s PRO 72 Cb -0.16 -4.90 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 2jpq s PRO 72 CO 0.16 -2.68 0.61 0.15 0.04 0.00 0.00 177.00 175.29 2jpq s LYS 73 N 6.13 4.39 -1.23 4.56 1.02 -1.26 -4.98 119.74 128.38 2jpq s LYS 73 Ca 0.56 0.71 -0.21 0.00 0.02 0.00 0.00 55.97 57.05 2jpq s LYS 73 Cb -0.06 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 2jpq s LYS 73 CO 0.02 0.12 1.83 0.95 -0.92 0.00 0.00 175.35 177.36 2jpq s THR 74 N 0.67 3.82 -0.18 2.17 -4.23 -1.26 -4.33 115.64 112.30 2jpq s THR 74 Ca 0.33 -1.37 0.13 0.00 -1.18 0.00 0.00 61.69 59.60 2jpq s THR 74 Cb -0.17 -4.87 0.31 0.00 1.34 0.00 0.00 72.50 69.12 2jpq s THR 74 CO 0.15 -1.49 1.26 1.57 -0.54 0.00 0.00 174.62 175.56 2jpq n HIS 75 N 11.48 -0.58 -2.42 3.99 -0.00 -1.26 -5.11 115.22 121.32 2jpq n HIS 75 Ca 0.46 -1.28 -0.43 0.00 -0.00 0.00 0.00 57.72 56.47 2jpq n HIS 75 Cb 0.46 0.69 -0.02 0.00 -0.00 0.00 0.00 29.99 31.12 2jpq n HIS 75 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2jpq s LEU 76 N -2.32 4.04 0.12 0.27 2.96 -1.26 -4.72 118.68 117.77 2jpq s LEU 76 Ca 0.13 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 2jpq s LEU 76 Cb 0.29 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.44 2jpq s LEU 76 CO -0.08 -0.91 0.00 -0.62 -1.32 0.00 0.00 176.35 173.42 2jpq n GLU 77 N 6.93 -2.41 0.00 1.98 1.02 -1.26 -5.06 120.64 121.84 2jpq n GLU 77 Ca 0.14 1.90 0.00 0.00 -0.02 0.00 0.00 57.16 59.18 2jpq n GLU 77 Cb 0.46 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2jpq n GLU 77 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jpq n HIS 78 N 0.53 -0.26 -3.56 -0.32 -0.00 -1.26 -5.15 115.22 105.20 2jpq n HIS 78 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 2jpq n HIS 78 Cb 0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 29.99 29.87 2jpq n HIS 78 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jpq s HIS 79 N -1.53 -0.45 0.31 1.57 -3.43 -1.26 -5.17 115.29 105.34 2jpq s HIS 79 Ca 0.00 0.75 0.10 0.00 -0.80 0.00 0.00 55.06 55.12 2jpq s HIS 79 Cb 0.00 0.44 -0.05 0.00 -1.43 0.00 0.00 32.58 31.54 2jpq s HIS 79 CO 0.00 -0.42 -0.08 -1.01 -2.00 0.00 0.00 174.74 171.23 2jpq s HIS 80 N -1.19 2.46 0.28 0.38 3.76 -1.26 -5.05 115.29 114.67 2jpq s HIS 80 Ca -0.04 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2jpq s HIS 80 Cb -0.00 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.41 2jpq s HIS 80 CO 0.04 0.59 0.00 0.72 -0.85 0.00 0.00 174.74 175.24 2jpq n HIS 81 N -0.81 -2.12 -2.92 1.40 8.25 -1.26 -4.84 115.22 112.92 2jpq n HIS 81 Ca -0.05 1.14 -0.42 0.00 -0.26 0.00 0.00 57.72 58.13 2jpq n HIS 81 Cb 0.61 -2.07 -0.05 0.00 1.12 0.00 0.00 29.99 29.60 2jpq n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jpq s HIS 82 N -4.22 3.16 0.00 4.41 2.46 -1.26 -5.25 115.29 114.60 2jpq s HIS 82 Ca 0.00 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.29 2jpq s HIS 82 Cb 0.00 -3.33 0.00 0.00 -0.13 0.00 0.00 32.58 29.12 2jpq s HIS 82 CO 0.00 -0.64 0.00 1.58 -2.47 0.00 0.00 174.74 173.21