#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 4.34 0.69 0.03 0.02 -1.26 -5.03 135.00 133.80 2jpq s PRO 2 Ca 0.00 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.10 2jpq s PRO 2 Cb 0.00 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.41 2jpq s PRO 2 CO 0.00 -0.29 1.04 0.96 -0.33 0.00 0.00 177.00 178.38 2jpq s ILE 3 N -0.20 3.09 0.00 2.83 -4.36 -1.26 -4.87 121.20 116.43 2jpq s ILE 3 Ca 0.56 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 61.08 2jpq s ILE 3 Cb -0.39 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.01 2jpq s ILE 3 CO 0.43 -0.37 0.00 0.41 0.24 0.00 0.00 174.94 175.65 2jpq n THR 4 N -2.92 0.00 0.67 8.37 -1.04 -1.26 -3.52 114.28 114.58 2jpq n THR 4 Ca 0.07 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.20 2jpq n THR 4 Cb 0.58 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 69.56 2jpq n THR 4 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jpq n SER 5 N -2.49 0.46 0.00 8.00 7.64 -1.26 -4.89 113.62 121.07 2jpq n SER 5 Ca 0.00 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2jpq n SER 5 Cb 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2jpq n SER 5 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jpq n LYS 6 N -1.95 0.00 0.00 1.43 2.85 -1.23 -4.88 118.16 114.38 2jpq n LYS 6 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2jpq n LYS 6 Cb 0.33 -0.98 0.00 0.00 -0.65 0.00 0.00 35.03 33.73 2jpq n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2jpq n TYR 7 N 0.00 -0.86 -2.96 5.58 4.01 -1.26 -4.64 117.16 117.04 2jpq n TYR 7 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2jpq n TYR 7 Cb 0.00 0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 2jpq n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jpq s THR 8 N 0.00 4.93 0.21 -0.72 -4.23 -1.26 -4.97 115.64 109.60 2jpq s THR 8 Ca 0.00 1.50 -0.10 0.00 -1.18 0.00 0.00 61.69 61.91 2jpq s THR 8 Cb 0.00 -4.08 0.16 0.00 1.34 0.00 0.00 72.50 69.92 2jpq s THR 8 CO 0.00 0.06 1.72 0.44 -0.54 0.00 0.00 174.62 176.30 2jpq h ASP 9 N 7.34 0.07 0.46 3.99 5.19 -2.00 -1.40 116.42 130.07 2jpq h ASP 9 Ca -0.31 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 2jpq h ASP 9 Cb 1.14 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 2jpq h ASP 9 CO 0.81 0.04 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.38 2jpq h GLU 10 N 0.30 -0.66 -0.14 3.56 4.39 -1.98 0.35 114.58 120.41 2jpq h GLU 10 Ca 0.31 0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.10 2jpq h GLU 10 Cb 0.45 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 2jpq h GLU 10 CO -0.37 -0.44 -0.11 1.96 -1.16 0.00 0.00 179.01 178.89 2jpq h GLN 11 N -0.68 -0.12 0.06 2.33 4.20 -1.89 0.58 115.11 119.58 2jpq h GLN 11 Ca -0.05 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2jpq h GLN 11 Cb 0.55 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2jpq h GLN 11 CO 0.07 -0.08 -0.13 0.28 -0.67 0.00 0.00 178.83 178.29 2jpq h VAL 12 N -0.13 0.69 -0.48 -0.54 2.07 -1.14 -0.86 116.25 115.86 2jpq h VAL 12 Ca 0.09 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 2jpq h VAL 12 Cb 0.26 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2jpq h VAL 12 CO -0.21 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.12 2jpq h GLU 13 N -0.25 0.94 0.00 1.57 4.81 -0.70 -2.18 114.58 118.77 2jpq h GLU 13 Ca 0.03 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 2jpq h GLU 13 Cb 0.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2jpq h GLU 13 CO -0.09 1.04 -0.32 0.87 -0.73 0.00 0.00 179.01 179.78 2jpq h LYS 14 N 0.83 0.00 -0.23 1.92 1.79 -0.77 0.07 116.57 120.17 2jpq h LYS 14 Ca 0.12 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 2jpq h LYS 14 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2jpq h LYS 14 CO 0.06 0.32 0.06 0.82 -1.08 0.00 0.00 179.45 179.62 2jpq h ILE 15 N 0.00 1.21 -0.84 1.86 2.04 -0.94 -2.52 117.51 118.32 2jpq h ILE 15 Ca -0.00 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.22 2jpq h ILE 15 Cb 1.10 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 2jpq h ILE 15 CO 0.04 0.22 0.55 -0.07 0.00 0.00 0.00 178.15 178.89 2jpq h LEU 16 N 0.19 0.89 -0.22 1.44 3.38 -0.94 -1.78 115.31 118.27 2jpq h LEU 16 Ca 0.07 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2jpq h LEU 16 Cb 0.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2jpq h LEU 16 CO 0.00 0.61 0.01 0.00 0.09 0.00 0.00 178.44 179.15 2jpq h ALA 17 N 1.51 0.20 -0.53 1.53 0.00 -0.74 0.32 119.26 121.55 2jpq h ALA 17 Ca 0.34 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 2jpq h ALA 17 Cb 0.05 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jpq h ALA 17 CO -0.10 -0.42 0.13 0.93 0.00 0.00 0.00 179.25 179.79 2jpq h GLU 18 N 0.08 0.84 -0.24 0.00 5.08 -1.07 -0.77 114.58 118.50 2jpq h GLU 18 Ca 0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2jpq h GLU 18 Cb 0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jpq h GLU 18 CO -0.17 0.80 0.15 0.28 -1.00 0.00 0.00 179.01 179.07 2jpq h VAL 19 N 0.74 1.05 -0.26 3.13 2.07 -0.85 -0.93 116.25 121.20 2jpq h VAL 19 Ca 0.17 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2jpq h VAL 19 Cb 0.34 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2jpq h VAL 19 CO 0.00 0.06 -0.02 0.00 0.02 0.00 0.00 177.57 177.63 2jpq h ALA 20 N 1.09 1.50 -0.59 1.67 0.00 -0.27 -1.57 119.26 121.08 2jpq h ALA 20 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2jpq h ALA 20 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jpq h ALA 20 CO -0.03 0.36 0.17 1.25 0.00 0.00 0.00 179.25 181.01 2jpq h LEU 21 N 0.37 0.88 -0.71 0.00 6.46 -0.42 0.15 115.31 122.04 2jpq h LEU 21 Ca 0.08 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.57 2jpq h LEU 21 Cb 0.28 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2jpq h LEU 21 CO 0.01 0.86 0.22 0.58 -0.62 0.00 0.00 178.44 179.49 2jpq h VAL 22 N 0.85 1.26 -0.30 1.05 2.07 -0.51 0.29 116.25 120.96 2jpq h VAL 22 Ca 0.19 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2jpq h VAL 22 Cb 0.31 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2jpq h VAL 22 CO -0.00 0.35 0.10 -0.07 0.02 0.00 0.00 177.57 177.96 2jpq h LEU 23 N 1.05 0.43 -0.15 2.57 3.38 -0.96 -1.66 115.31 119.98 2jpq h LEU 23 Ca 0.23 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jpq h LEU 23 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jpq h LEU 23 CO -0.01 0.52 0.09 -0.08 0.09 0.00 0.00 178.44 179.05 2jpq h GLU 24 N 0.32 0.20 -0.90 1.13 4.81 -0.45 0.20 114.58 119.89 2jpq h GLU 24 Ca 0.10 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2jpq h GLU 24 Cb 0.24 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 2jpq h GLU 24 CO -0.00 0.18 0.56 -0.22 -0.73 0.00 0.00 179.01 178.79 2jpq h LYS 25 N 0.17 0.98 -0.13 1.92 3.64 -0.28 -0.69 116.57 122.18 2jpq h LYS 25 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2jpq h LYS 25 Cb 0.03 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2jpq h LYS 25 CO -0.01 0.65 0.00 0.72 -2.27 0.00 0.00 179.45 178.54 2jpq n HIS 26 N -4.60 0.15 -3.73 1.91 8.25 -0.64 -4.94 115.22 111.62 2jpq n HIS 26 Ca 0.13 -0.08 -0.23 0.00 -0.26 0.00 0.00 57.72 57.29 2jpq n HIS 26 Cb 0.20 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.34 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 0.48 -1.80 -2.01 -1.41 0.00 -0.27 -4.88 120.51 110.63 2jpq n ALA 27 Ca 0.17 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2jpq n ALA 27 Cb 0.39 -2.77 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 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 -3.54 3.67 0.85 0.00 0.00 -0.07 -4.99 121.76 117.67 2jpq s ALA 28 Ca 0.19 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 2jpq s ALA 28 Cb -0.09 -3.66 0.11 0.00 0.00 0.00 0.00 23.12 19.48 2jpq s ALA 28 CO 0.81 -1.00 1.12 -1.12 0.00 0.00 0.00 175.76 175.57 2jpq s SER 29 N 2.09 3.58 0.12 0.00 0.01 -1.26 -4.68 113.70 113.56 2jpq s SER 29 Ca 0.71 2.04 -0.29 0.00 1.31 0.00 0.00 55.95 59.71 2jpq s SER 29 Cb -0.38 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.23 2jpq s SER 29 CO 0.31 -2.66 1.59 -0.65 0.41 0.00 0.00 173.24 172.24 2jpq h PRO 30 N -1.56 -0.53 -0.26 12.44 0.11 -1.99 0.42 132.00 140.64 2jpq h PRO 30 Ca -0.43 0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 2jpq h PRO 30 Cb 1.25 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 2jpq h PRO 30 CO 0.46 -0.35 -0.22 1.49 -0.21 0.00 0.00 178.00 179.16 2jpq h GLU 31 N -0.55 0.47 -1.00 1.05 4.81 -1.99 -1.28 114.58 116.10 2jpq h GLU 31 Ca 0.05 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2jpq h GLU 31 Cb 0.63 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 2jpq h GLU 31 CO -0.30 0.67 0.65 1.25 -0.73 0.00 0.00 179.01 180.55 2jpq h LEU 32 N 0.42 1.16 -0.35 1.64 5.85 -1.76 0.41 115.31 122.68 2jpq h LEU 32 Ca 0.07 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2jpq h LEU 32 Cb 0.63 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2jpq h LEU 32 CO 0.04 0.85 0.18 0.74 -0.34 0.00 0.00 178.44 179.92 2jpq h THR 33 N 1.36 1.00 -0.06 1.05 2.02 0.64 -1.99 112.91 116.92 2jpq h THR 33 Ca 0.36 -0.13 -0.22 0.00 0.77 0.00 0.00 66.41 67.20 2jpq h THR 33 Cb -0.14 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2jpq h THR 33 CO -0.08 0.07 -0.85 0.25 0.37 0.00 0.00 175.52 175.28 2jpq h LEU 34 N 0.37 0.66 -1.20 2.58 6.46 -0.47 -2.46 115.31 121.25 2jpq h LEU 34 Ca 0.14 -0.47 -0.07 0.00 -0.12 0.00 0.00 57.88 57.36 2jpq h LEU 34 Cb 0.04 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2jpq h LEU 34 CO -0.09 1.25 -0.24 0.00 -0.62 0.00 0.00 178.44 178.74 2jpq h MET 35 N 0.34 0.26 -0.55 1.25 -0.00 -0.17 -0.68 114.93 115.38 2jpq h MET 35 Ca -0.06 -0.08 -0.07 0.00 -0.00 0.00 0.00 59.70 59.48 2jpq h MET 35 Cb 1.46 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 33.02 2jpq h MET 35 CO 0.16 0.49 0.07 0.82 -0.00 0.00 0.00 176.91 178.45 2jpq h ILE 36 N 0.24 1.26 -0.90 -0.10 2.04 -1.19 0.10 117.51 118.95 2jpq h ILE 36 Ca 0.04 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2jpq h ILE 36 Cb 0.55 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 2jpq h ILE 36 CO 0.04 0.36 0.60 0.00 0.00 0.00 0.00 178.15 179.14 2jpq h ALA 37 N 0.98 1.39 -0.46 1.87 0.00 -0.92 -0.31 119.26 121.81 2jpq h ALA 37 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2jpq h ALA 37 Cb 0.43 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jpq h ALA 37 CO 0.01 0.55 0.16 0.78 0.00 0.00 0.00 179.25 180.75 2jpq h GLY 38 N 1.19 0.76 0.84 0.00 0.00 -0.52 -1.63 103.07 103.71 2jpq h GLY 38 Ca 0.34 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2jpq h GLY 38 CO -0.09 0.41 0.60 3.43 0.00 0.00 0.00 176.54 180.89 2jpq h ASN 39 N 0.61 0.99 0.37 0.19 2.35 -0.14 0.18 115.58 120.12 2jpq h ASN 39 Ca 0.15 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2jpq h ASN 39 Cb 0.24 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2jpq h ASN 39 CO -0.01 0.67 -0.21 0.40 -1.65 0.00 0.00 177.43 176.63 2jpq h ILE 40 N 1.15 0.57 -0.97 2.81 2.04 -0.77 -1.02 117.51 121.32 2jpq h ILE 40 Ca 0.38 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.27 2jpq h ILE 40 Cb 0.04 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2jpq h ILE 40 CO -0.13 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.66 2jpq h ALA 41 N 0.07 1.35 -0.27 1.87 0.00 -0.89 -1.35 119.26 120.05 2jpq h ALA 41 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jpq h ALA 41 Cb 0.44 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jpq h ALA 41 CO 0.06 0.57 0.09 1.15 0.00 0.00 0.00 179.25 181.11 2jpq h THR 42 N 1.26 0.92 -0.51 0.00 2.02 -0.36 0.28 112.91 116.52 2jpq h THR 42 Ca 0.38 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 2jpq h THR 42 Cb -0.04 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2jpq h THR 42 CO -0.11 0.04 0.23 -1.13 0.37 0.00 0.00 175.52 174.92 2jpq h ASN 43 N 0.21 0.68 -0.14 4.18 -0.73 -0.64 -0.96 115.58 118.18 2jpq h ASN 43 Ca 0.12 -0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.16 2jpq h ASN 43 Cb 0.09 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 2jpq h ASN 43 CO -0.13 0.63 0.06 0.58 -0.37 0.00 0.00 177.43 178.20 2jpq h VAL 44 N 0.68 0.99 0.00 2.57 2.07 -0.82 0.31 116.25 122.04 2jpq h VAL 44 Ca 0.17 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2jpq h VAL 44 Cb 0.14 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2jpq h VAL 44 CO -0.02 0.03 0.00 -0.07 0.02 0.00 0.00 177.57 177.53 2jpq h LEU 45 N 0.14 0.00 0.01 2.57 3.38 -0.17 0.13 115.31 121.37 2jpq h LEU 45 Ca 0.06 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.63 2jpq h LEU 45 Cb 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2jpq h LEU 45 CO -0.05 0.00 -2.45 0.59 0.09 0.00 0.00 178.44 176.63 2jpq n ASN 46 N -3.02 1.98 -0.00 -0.43 3.02 -0.39 -4.66 115.26 111.76 2jpq n ASN 46 Ca -0.00 -0.02 0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2jpq n ASN 46 Cb 0.23 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 2jpq n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jpq n GLN 47 N -3.48 4.23 -0.04 3.52 6.02 0.10 -4.73 117.38 123.00 2jpq n GLN 47 Ca -0.47 -0.01 0.03 0.00 -0.01 0.00 0.00 57.00 56.55 2jpq n GLN 47 Cb 0.97 -0.76 0.05 0.00 1.02 0.00 0.00 30.24 31.53 2jpq n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jpq n ARG 48 N -1.23 2.49 -4.14 -1.09 5.12 0.37 -5.01 116.66 113.17 2jpq n ARG 48 Ca 0.00 -1.87 -0.09 0.00 -1.93 0.00 0.00 57.85 53.96 2jpq n ARG 48 Cb 0.05 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.07 2jpq n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2jpq s VAL 49 N -1.59 0.32 0.27 1.55 0.11 -0.71 -4.92 120.40 115.44 2jpq s VAL 49 Ca 0.11 -1.88 -0.30 0.00 -2.93 0.00 0.00 61.98 56.99 2jpq s VAL 49 Cb 0.10 -1.75 -0.09 0.00 -1.53 0.00 0.00 36.38 33.10 2jpq s VAL 49 CO 0.02 -0.78 1.09 0.00 -3.33 0.00 0.00 175.10 172.10 2jpq s ALA 50 N -3.88 3.40 0.23 1.54 0.00 -1.26 -4.89 121.76 116.90 2jpq s ALA 50 Ca 0.14 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 2jpq s ALA 50 Cb 0.07 -3.32 0.36 0.00 0.00 0.00 0.00 23.12 20.23 2jpq s ALA 50 CO -0.05 -0.14 1.76 0.00 0.00 0.00 0.00 175.76 177.33 2jpq h ALA 51 N 3.92 0.97 0.00 0.00 0.00 -1.96 0.18 119.26 122.37 2jpq h ALA 51 Ca -0.46 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2jpq h ALA 51 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jpq h ALA 51 CO 0.67 -0.12 -0.12 0.77 0.00 0.00 0.00 179.25 180.45 2jpq h SER 52 N 0.52 0.00 -0.11 0.00 0.02 -2.02 -2.54 113.55 109.43 2jpq h SER 52 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2jpq h SER 52 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2jpq h SER 52 CO -0.32 0.12 0.00 1.67 -1.14 0.00 0.00 176.83 177.16 2jpq n GLN 53 N -3.70 1.98 0.16 3.45 -0.06 0.11 -4.62 117.38 114.70 2jpq n GLN 53 Ca -0.02 -1.83 -0.06 0.00 -2.00 0.00 0.00 57.00 53.09 2jpq n GLN 53 Cb 0.23 -1.41 -0.03 0.00 -4.06 0.00 0.00 30.24 24.98 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 4.00 -0.40 0.00 3.69 2.43 -0.31 0.12 114.38 123.90 2jpq h ARG 54 Ca 0.00 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2jpq h ARG 54 Cb 0.87 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2jpq h ARG 54 CO 0.00 -0.27 -0.24 -0.22 -1.51 0.00 0.00 179.97 177.73 2jpq h LYS 55 N -0.43 0.00 0.34 0.20 3.64 -1.84 -2.45 116.57 116.03 2jpq h LYS 55 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2jpq h LYS 55 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2jpq h LYS 55 CO 0.07 0.24 -0.16 1.25 -2.27 0.00 0.00 179.45 178.57 2jpq h LEU 56 N 0.00 -0.39 -1.23 5.20 6.46 -1.80 0.59 115.31 124.15 2jpq h LEU 56 Ca -0.00 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.61 2jpq h LEU 56 Cb 1.04 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2jpq h LEU 56 CO 0.03 -0.17 -0.37 -0.29 -0.62 0.00 0.00 178.44 177.02 2jpq h ILE 57 N -0.60 1.15 -0.25 4.05 2.10 -0.74 0.93 117.51 124.15 2jpq h ILE 57 Ca -0.05 -1.32 -0.09 0.00 1.08 0.00 0.00 64.86 64.49 2jpq h ILE 57 Cb 0.44 1.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.90 2jpq h ILE 57 CO 0.08 0.36 -0.18 0.00 -1.08 0.00 0.00 178.15 177.33 2jpq h ALA 58 N 1.63 0.36 -0.45 0.18 0.00 -1.31 -0.60 119.26 119.07 2jpq h ALA 58 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2jpq h ALA 58 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jpq h ALA 58 CO 0.05 0.27 -0.02 1.49 0.00 0.00 0.00 179.25 181.04 2jpq h GLU 59 N 0.27 0.82 -0.96 0.00 4.57 -0.44 -0.49 114.58 118.34 2jpq h GLU 59 Ca 0.05 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2jpq h GLU 59 Cb 0.71 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 2jpq h GLU 59 CO 0.05 0.89 0.63 -0.22 -1.18 0.00 0.00 179.01 179.17 2jpq h LYS 60 N 0.66 1.11 -0.14 1.92 3.64 -0.80 -1.30 116.57 121.66 2jpq h LYS 60 Ca 0.13 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2jpq h LYS 60 Cb 0.53 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2jpq h LYS 60 CO 0.03 0.74 -0.00 0.35 -2.27 0.00 0.00 179.45 178.29 2jpq h PHE 61 N 1.15 0.28 -0.98 1.91 3.57 -0.68 -2.53 116.94 119.66 2jpq h PHE 61 Ca 0.40 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.91 2jpq h PHE 61 Cb 0.12 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 2jpq h PHE 61 CO -0.00 0.49 0.63 0.00 -2.23 0.00 0.00 178.31 177.20 2jpq h ALA 62 N 0.75 1.33 -0.56 2.41 0.00 -0.63 0.25 119.26 122.80 2jpq h ALA 62 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jpq h ALA 62 Cb 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jpq h ALA 62 CO 0.01 0.46 0.35 1.96 0.00 0.00 0.00 179.25 182.02 2jpq h GLN 63 N 1.18 0.76 -0.58 0.00 1.08 -1.21 0.13 115.11 116.47 2jpq h GLN 63 Ca 0.41 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.44 2jpq h GLN 63 Cb 0.10 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 2jpq h GLN 63 CO -0.15 0.54 -0.03 0.00 -0.95 0.00 0.00 178.83 178.23 2jpq h ALA 64 N 1.18 0.79 -0.04 3.87 0.00 -0.81 -2.09 119.26 122.16 2jpq h ALA 64 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2jpq h ALA 64 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2jpq h ALA 64 CO -0.04 0.65 -0.35 1.25 0.00 0.00 0.00 179.25 180.76 2jpq h LEU 65 N 0.94 0.07 -0.74 0.00 5.85 -0.24 -1.21 115.31 119.98 2jpq h LEU 65 Ca 0.16 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 2jpq h LEU 65 Cb 0.60 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2jpq h LEU 65 CO 0.04 0.42 -0.62 0.24 -0.34 0.00 0.00 178.44 178.17 2jpq h MET 66 N 0.06 0.03 0.00 1.25 2.86 -0.66 -2.27 114.93 116.21 2jpq h MET 66 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2jpq h MET 66 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2jpq h MET 66 CO 0.05 0.64 -0.27 0.66 1.06 0.00 0.00 176.91 179.06 2jpq h SER 67 N 0.02 0.00 0.16 1.22 4.64 -0.69 -3.12 113.55 115.78 2jpq h SER 67 Ca -0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jpq h SER 67 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2jpq h SER 67 CO 0.08 0.01 -0.31 -1.54 -0.87 0.00 0.00 176.83 174.20 2jpq n SER 68 N -2.81 1.33 -4.59 4.97 3.41 -0.52 -4.82 113.62 110.59 2jpq n SER 68 Ca 0.03 -1.09 -0.42 0.00 -0.26 0.00 0.00 58.87 57.13 2jpq n SER 68 Cb 0.51 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.48 3.50 -0.09 1.04 0.20 -0.86 -4.98 118.68 115.00 2jpq s LEU 69 Ca 0.23 0.66 -0.20 0.00 0.69 0.00 0.00 54.13 55.51 2jpq s LEU 69 Cb 0.19 -3.31 -0.04 0.00 -0.43 0.00 0.00 46.19 42.59 2jpq s LEU 69 CO 0.53 -1.61 0.56 -1.61 -0.29 0.00 0.00 176.35 173.93 2jpq s GLU 70 N 5.34 4.37 0.54 1.98 0.41 -1.26 -5.02 118.70 125.05 2jpq s GLU 70 Ca 0.61 0.62 0.06 0.00 -0.41 0.00 0.00 54.97 55.85 2jpq s GLU 70 Cb -0.13 -3.43 0.04 0.00 -1.78 0.00 0.00 34.13 28.83 2jpq s GLU 70 CO 0.30 0.15 0.45 0.95 -0.49 0.00 0.00 175.26 176.62 2jpq s THR 71 N 0.60 1.78 -0.79 3.63 -4.23 -1.26 -5.01 115.64 110.36 2jpq s THR 71 Ca 0.30 -1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 59.14 2jpq s THR 71 Cb -0.16 -2.20 -0.11 0.00 1.34 0.00 0.00 72.50 71.37 2jpq s THR 71 CO 0.14 0.00 2.29 -2.84 -0.54 0.00 0.00 174.62 173.67 2jpq s PRO 72 N -4.32 1.88 -0.05 3.99 0.02 -1.26 -4.71 135.00 130.54 2jpq s PRO 72 Ca 0.39 0.39 0.19 0.00 0.02 0.00 0.00 61.00 61.98 2jpq s PRO 72 Cb -0.03 -4.82 0.61 0.00 0.02 0.00 0.00 34.50 30.29 2jpq s PRO 72 CO 0.24 -4.08 1.52 1.63 -0.33 0.00 0.00 177.00 175.99 2jpq n LYS 73 N 8.85 3.15 -0.89 5.54 4.76 -1.26 -4.96 118.16 133.36 2jpq n LYS 73 Ca 0.44 -2.66 0.00 0.00 -2.87 0.00 0.00 58.31 53.22 2jpq n LYS 73 Cb 0.45 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2jpq n LYS 73 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2jpq n THR 74 N 1.17 0.00 -0.05 -0.18 5.66 -1.26 -4.78 114.28 114.84 2jpq n THR 74 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 2jpq n THR 74 Cb 0.70 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 2jpq n THR 74 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2jpq n HIS 75 N -0.05 0.00 1.64 1.09 -0.00 -1.26 -4.81 115.22 111.83 2jpq n HIS 75 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 2jpq n HIS 75 Cb 0.00 -0.09 0.61 0.00 -0.00 0.00 0.00 29.99 30.51 2jpq n HIS 75 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2jpq n LEU 76 N 0.00 0.95 -0.11 0.27 4.77 -1.26 -3.51 117.00 118.12 2jpq n LEU 76 Ca 0.00 -0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 55.51 2jpq n LEU 76 Cb 0.00 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 2jpq n LEU 76 CO 0.00 0.17 -1.20 -0.62 -1.33 0.00 0.00 177.39 174.41 2jpq n GLU 77 N -0.23 0.75 -2.64 3.23 -0.58 -1.26 -4.82 120.64 115.10 2jpq n GLU 77 Ca 0.19 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.57 2jpq n GLU 77 Cb 0.25 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2jpq n GLU 77 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2jpq s HIS 78 N -2.48 2.43 -0.07 -0.32 2.46 -1.23 -4.97 115.29 111.11 2jpq s HIS 78 Ca -0.19 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.21 2jpq s HIS 78 Cb 0.07 -4.51 0.02 0.00 -0.13 0.00 0.00 32.58 28.03 2jpq s HIS 78 CO 0.70 -1.90 -0.04 -1.01 -2.47 0.00 0.00 174.74 170.02 2jpq s HIS 79 N 5.17 0.93 -0.18 3.88 3.76 -1.26 -4.98 115.29 122.61 2jpq s HIS 79 Ca 0.32 -0.33 0.16 0.00 -0.15 0.00 0.00 55.06 55.06 2jpq s HIS 79 Cb -0.10 -0.87 0.07 0.00 1.11 0.00 0.00 32.58 32.79 2jpq s HIS 79 CO 0.15 -0.31 1.38 1.25 -0.85 0.00 0.00 174.74 176.35 2jpq h HIS 80 N 7.77 0.00 -3.53 1.40 2.76 -2.00 -3.41 115.15 118.13 2jpq h HIS 80 Ca -0.29 0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 57.27 2jpq h HIS 80 Cb 1.14 0.00 -0.38 0.00 1.55 0.00 0.00 27.41 29.72 2jpq h HIS 80 CO 0.49 0.45 -0.79 -1.58 -1.30 0.00 0.00 177.93 175.19 2jpq s HIS 81 N -2.99 2.29 0.55 5.26 5.65 -1.26 -5.13 115.29 119.67 2jpq s HIS 81 Ca 0.03 -1.61 -0.17 0.00 0.25 0.00 0.00 55.06 53.56 2jpq s HIS 81 Cb 0.07 -1.55 -0.05 0.00 -1.18 0.00 0.00 32.58 29.87 2jpq s HIS 81 CO 0.75 -0.74 1.05 -3.38 -0.65 0.00 0.00 174.74 171.76 2jpq s HIS 82 N 1.43 3.03 -2.67 3.88 -0.00 -1.26 -5.19 115.29 114.51 2jpq s HIS 82 Ca -0.04 1.53 0.21 0.00 -0.00 0.00 0.00 55.06 56.76 2jpq s HIS 82 Cb -0.18 -3.01 0.17 0.00 -0.00 0.00 0.00 32.58 29.56 2jpq s HIS 82 CO -0.07 -0.97 1.18 1.58 -0.00 0.00 0.00 174.74 176.46