#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 2.44 0.00 2.12 0.04 -1.26 -5.12 135.00 133.22 2jpq s PRO 2 Ca 0.00 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2jpq s PRO 2 Cb 0.00 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2jpq s PRO 2 CO 0.00 -1.06 0.00 0.44 0.04 0.00 0.00 177.00 176.42 2jpq n ILE 3 N -2.81 0.00 -1.38 0.56 -5.35 -1.26 -5.04 119.36 104.08 2jpq n ILE 3 Ca 0.07 0.00 -0.58 0.00 -0.27 0.00 0.00 62.75 61.97 2jpq n ILE 3 Cb 0.59 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.39 2jpq n ILE 3 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2jpq n THR 4 N 0.00 0.08 -1.97 7.28 -1.04 -1.26 -4.90 114.28 112.47 2jpq n THR 4 Ca 0.00 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.63 2jpq n THR 4 Cb 0.00 -0.89 0.02 0.00 -1.82 0.00 0.00 70.33 67.65 2jpq n THR 4 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2jpq s SER 5 N 5.96 5.95 0.09 8.00 0.01 -1.26 -5.00 113.70 127.45 2jpq s SER 5 Ca 1.14 1.25 -0.15 0.00 1.31 0.00 0.00 55.95 59.49 2jpq s SER 5 Cb -1.28 -2.24 -0.09 0.00 0.21 0.00 0.00 66.02 62.62 2jpq s SER 5 CO 0.62 -1.00 1.41 0.50 0.41 0.00 0.00 173.24 175.18 2jpq h LYS 6 N -0.37 0.67 0.00 12.44 3.64 -2.07 -3.49 116.57 127.39 2jpq h LYS 6 Ca -0.45 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 2jpq h LYS 6 Cb 1.22 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2jpq h LYS 6 CO 0.62 0.97 0.00 0.66 -2.27 0.00 0.00 179.45 179.43 2jpq n TYR 7 N -4.29 -1.77 -4.67 1.91 4.01 -1.26 -4.77 117.16 106.32 2jpq n TYR 7 Ca -0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.36 2jpq n TYR 7 Cb 0.47 0.27 -0.12 0.00 -0.31 0.00 0.00 39.34 39.66 2jpq n TYR 7 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2jpq s THR 8 N 0.00 3.59 0.44 -0.72 -1.32 -1.26 -5.01 115.64 111.36 2jpq s THR 8 Ca 0.00 -0.53 0.12 0.00 -1.21 0.00 0.00 61.69 60.07 2jpq s THR 8 Cb 0.00 -2.46 0.21 0.00 -1.51 0.00 0.00 72.50 68.74 2jpq s THR 8 CO 0.00 0.59 2.02 0.44 -2.21 0.00 0.00 174.62 175.46 2jpq h ASP 9 N 5.24 0.17 0.35 8.08 3.32 -1.99 -2.47 116.42 129.11 2jpq h ASP 9 Ca -0.48 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2jpq h ASP 9 Cb 1.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2jpq h ASP 9 CO 0.52 0.23 -0.18 -0.08 -1.72 0.00 0.00 179.24 178.01 2jpq h GLU 10 N 0.18 -0.47 -0.28 3.56 4.57 -1.99 0.98 114.58 121.14 2jpq h GLU 10 Ca 0.04 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2jpq h GLU 10 Cb 0.18 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2jpq h GLU 10 CO 0.01 -0.31 0.14 0.37 -1.18 0.00 0.00 179.01 178.04 2jpq h GLN 11 N -0.48 0.40 -0.75 1.92 4.15 -1.91 -2.14 115.11 116.29 2jpq h GLN 11 Ca -0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 2jpq h GLN 11 Cb 0.38 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 2jpq h GLN 11 CO 0.07 0.38 0.41 0.28 -1.93 0.00 0.00 178.83 178.03 2jpq h VAL 12 N 0.33 1.23 -0.57 2.39 2.07 -1.37 -2.10 116.25 118.23 2jpq h VAL 12 Ca 0.10 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.10 2jpq h VAL 12 Cb 0.10 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 2jpq h VAL 12 CO -0.01 0.25 0.28 -0.08 0.02 0.00 0.00 177.57 178.04 2jpq h GLU 13 N 1.04 0.52 -0.61 1.57 4.81 -0.50 0.31 114.58 121.73 2jpq h GLU 13 Ca 0.27 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2jpq h GLU 13 Cb 0.04 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2jpq h GLU 13 CO -0.04 0.35 0.21 0.87 -0.73 0.00 0.00 179.01 179.67 2jpq h LYS 14 N 0.54 0.93 0.16 1.92 1.79 -0.86 0.20 116.57 121.25 2jpq h LYS 14 Ca 0.26 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jpq h LYS 14 Cb 0.19 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2jpq h LYS 14 CO -0.19 0.81 -0.08 0.82 -1.08 0.00 0.00 179.45 179.74 2jpq h ILE 15 N 0.85 0.93 -0.89 1.86 2.04 -0.98 -2.39 117.51 118.93 2jpq h ILE 15 Ca 0.20 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.73 2jpq h ILE 15 Cb 0.25 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 2jpq h ILE 15 CO -0.01 0.09 0.56 -0.07 0.00 0.00 0.00 178.15 178.72 2jpq h LEU 16 N -0.41 0.87 -0.57 1.44 3.38 -0.70 0.12 115.31 119.43 2jpq h LEU 16 Ca -0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jpq h LEU 16 Cb 0.32 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2jpq h LEU 16 CO 0.04 0.55 0.37 0.00 0.09 0.00 0.00 178.44 179.48 2jpq h ALA 17 N 1.42 0.73 0.00 1.53 0.00 -0.49 0.65 119.26 123.11 2jpq h ALA 17 Ca 0.39 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 2jpq h ALA 17 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jpq h ALA 17 CO -0.18 0.13 -0.86 0.93 0.00 0.00 0.00 179.25 179.27 2jpq h GLU 18 N 0.74 0.14 -0.30 0.00 5.08 -0.85 -0.91 114.58 118.48 2jpq h GLU 18 Ca 0.22 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2jpq h GLU 18 Cb -0.05 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2jpq h GLU 18 CO -0.07 0.91 0.18 0.28 -1.00 0.00 0.00 179.01 179.32 2jpq h VAL 19 N 0.08 1.10 -0.13 3.13 2.07 -0.42 -0.17 116.25 121.91 2jpq h VAL 19 Ca -0.03 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2jpq h VAL 19 Cb 1.49 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2jpq h VAL 19 CO 0.13 0.10 -0.15 0.00 0.02 0.00 0.00 177.57 177.67 2jpq h ALA 20 N 1.07 1.50 -0.64 1.67 0.00 -0.80 -1.84 119.26 120.22 2jpq h ALA 20 Ca 0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2jpq h ALA 20 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2jpq h ALA 20 CO -0.02 0.36 0.09 1.25 0.00 0.00 0.00 179.25 180.92 2jpq h LEU 21 N 0.20 1.02 -0.58 0.00 6.46 -0.47 0.51 115.31 122.44 2jpq h LEU 21 Ca 0.04 -0.25 -0.08 0.00 -0.12 0.00 0.00 57.88 57.48 2jpq h LEU 21 Cb 0.40 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 2jpq h LEU 21 CO 0.02 1.02 0.07 0.58 -0.62 0.00 0.00 178.44 179.51 2jpq h VAL 22 N 0.99 1.26 -0.03 1.05 2.07 -0.43 0.18 116.25 121.33 2jpq h VAL 22 Ca 0.19 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2jpq h VAL 22 Cb 0.45 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jpq h VAL 22 CO 0.01 0.37 0.02 -0.07 0.02 0.00 0.00 177.57 177.93 2jpq h LEU 23 N 0.88 0.04 -1.09 2.57 3.38 -1.05 -1.80 115.31 118.23 2jpq h LEU 23 Ca 0.17 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jpq h LEU 23 Cb 0.46 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2jpq h LEU 23 CO 0.02 0.08 0.60 -0.08 0.09 0.00 0.00 178.44 179.15 2jpq h GLU 24 N -0.01 1.21 -0.65 1.13 4.57 -0.74 0.23 114.58 120.31 2jpq h GLU 24 Ca 0.01 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2jpq h GLU 24 Cb 0.05 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 2jpq h GLU 24 CO -0.00 0.81 0.39 -0.22 -1.18 0.00 0.00 179.01 178.81 2jpq h LYS 25 N 1.24 0.74 -0.44 1.92 3.64 -0.24 -1.98 116.57 121.45 2jpq h LYS 25 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2jpq h LYS 25 Cb -0.13 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 2jpq h LYS 25 CO -0.07 0.49 0.00 0.72 -2.27 0.00 0.00 179.45 178.32 2jpq n HIS 26 N -4.73 0.58 -3.75 1.91 8.25 -0.71 -4.92 115.22 111.85 2jpq n HIS 26 Ca 0.07 -0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 56.98 2jpq n HIS 26 Cb 0.11 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.27 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 1.03 -1.47 -1.79 -1.41 0.00 -0.43 -4.85 120.51 111.58 2jpq n ALA 27 Ca 0.18 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2jpq n ALA 27 Cb 0.47 -4.21 -0.03 0.00 0.00 0.00 0.00 19.45 15.68 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 3.25 0.82 0.00 0.00 0.69 -4.96 121.76 118.19 2jpq s ALA 28 Ca 0.48 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 2jpq s ALA 28 Cb -0.23 -3.91 0.09 0.00 0.00 0.00 0.00 23.12 19.07 2jpq s ALA 28 CO 0.79 -2.02 1.16 -1.54 0.00 0.00 0.00 175.76 174.14 2jpq s SER 29 N 5.44 3.70 0.24 0.00 1.04 -1.26 -4.65 113.70 118.22 2jpq s SER 29 Ca 0.86 2.18 -0.04 0.00 0.48 0.00 0.00 55.95 59.43 2jpq s SER 29 Cb -0.34 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 63.67 2jpq s SER 29 CO 0.36 -2.58 1.71 -0.65 0.98 0.00 0.00 173.24 173.05 2jpq h PRO 30 N -1.14 0.34 -0.33 4.02 0.11 -1.98 0.38 132.00 133.40 2jpq h PRO 30 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2jpq h PRO 30 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jpq h PRO 30 CO 0.46 0.23 0.09 0.93 -0.21 0.00 0.00 178.00 179.50 2jpq h GLU 31 N 0.35 0.51 -0.46 1.05 5.08 -1.99 -0.54 114.58 118.59 2jpq h GLU 31 Ca 0.42 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2jpq h GLU 31 Cb 0.68 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2jpq h GLU 31 CO -0.45 0.57 0.27 1.25 -1.00 0.00 0.00 179.01 179.64 2jpq h LEU 32 N 0.37 0.56 -0.09 1.33 5.85 -1.65 0.62 115.31 122.29 2jpq h LEU 32 Ca 0.10 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2jpq h LEU 32 Cb 0.27 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2jpq h LEU 32 CO -0.00 0.47 -0.13 0.74 -0.34 0.00 0.00 178.44 179.18 2jpq h THR 33 N 0.61 0.66 -0.02 1.05 2.02 -0.03 0.96 112.91 118.16 2jpq h THR 33 Ca 0.16 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.21 2jpq h THR 33 Cb 0.02 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2jpq h THR 33 CO -0.03 0.00 -0.62 0.25 0.37 0.00 0.00 175.52 175.50 2jpq h LEU 34 N -0.17 0.08 -0.82 2.58 6.46 -0.95 -2.03 115.31 120.47 2jpq h LEU 34 Ca 0.08 -0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.69 2jpq h LEU 34 Cb 0.28 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2jpq h LEU 34 CO -0.19 0.67 -0.23 -0.03 -0.62 0.00 0.00 178.44 178.04 2jpq h MET 35 N 0.05 0.64 -0.41 1.25 4.05 -0.50 -1.13 114.93 118.88 2jpq h MET 35 Ca -0.01 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2jpq h MET 35 Cb 1.10 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.84 2jpq h MET 35 CO 0.08 0.81 0.24 0.82 0.23 0.00 0.00 176.91 179.10 2jpq h ILE 36 N 0.56 1.14 -0.98 1.77 2.04 -0.37 -0.56 117.51 121.11 2jpq h ILE 36 Ca 0.08 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.65 2jpq h ILE 36 Cb 0.69 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2jpq h ILE 36 CO 0.05 0.14 0.64 0.00 0.00 0.00 0.00 178.15 178.98 2jpq h ALA 37 N 1.10 1.30 -0.54 1.87 0.00 -1.02 0.40 119.26 122.37 2jpq h ALA 37 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jpq h ALA 37 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2jpq h ALA 37 CO -0.03 0.54 0.31 0.78 0.00 0.00 0.00 179.25 180.85 2jpq h GLY 38 N 1.25 0.80 0.98 0.00 0.00 -0.78 -1.45 103.07 103.87 2jpq h GLY 38 Ca 0.39 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.38 2jpq h GLY 38 CO -0.12 0.33 0.21 3.43 0.00 0.00 0.00 176.54 180.39 2jpq h ASN 39 N 0.72 0.36 0.29 0.19 2.35 -0.22 -0.42 115.58 118.85 2jpq h ASN 39 Ca 0.19 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2jpq h ASN 39 Cb 0.02 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2jpq h ASN 39 CO -0.03 0.26 -0.47 0.40 -1.65 0.00 0.00 177.43 175.94 2jpq h ILE 40 N 0.43 0.08 -0.38 2.81 2.04 -0.65 0.26 117.51 122.09 2jpq h ILE 40 Ca 0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.01 2jpq h ILE 40 Cb -0.04 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 2jpq h ILE 40 CO -0.04 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.30 2jpq h ALA 41 N -0.52 0.47 -0.62 1.87 0.00 -1.18 -0.91 119.26 118.37 2jpq h ALA 41 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jpq h ALA 41 Cb 0.77 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jpq h ALA 41 CO -0.17 -0.18 0.29 1.15 0.00 0.00 0.00 179.25 180.34 2jpq h THR 42 N 0.38 1.22 -0.45 0.00 2.02 -0.84 -0.44 112.91 114.79 2jpq h THR 42 Ca 0.16 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 2jpq h THR 42 Cb 0.08 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2jpq h THR 42 CO -0.12 0.25 -0.11 0.78 0.37 0.00 0.00 175.52 176.70 2jpq h ASN 43 N 0.85 0.80 -0.02 4.18 -0.26 -0.09 -1.28 115.58 119.76 2jpq h ASN 43 Ca 0.21 -0.24 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2jpq h ASN 43 Cb 0.13 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2jpq h ASN 43 CO -0.03 0.93 0.00 0.58 -1.06 0.00 0.00 177.43 177.85 2jpq h VAL 44 N 0.73 1.23 -0.48 2.81 2.07 -0.86 -1.72 116.25 120.04 2jpq h VAL 44 Ca 0.12 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2jpq h VAL 44 Cb 0.60 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2jpq h VAL 44 CO 0.04 0.18 0.26 -0.07 0.02 0.00 0.00 177.57 178.00 2jpq h LEU 45 N -0.25 0.41 -0.31 2.57 3.38 -0.92 0.14 115.31 120.33 2jpq h LEU 45 Ca 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jpq h LEU 45 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jpq h LEU 45 CO 0.00 0.29 -0.25 0.78 0.09 0.00 0.00 178.44 179.35 2jpq h ASN 46 N 0.52 0.00 0.00 -0.43 2.35 -1.25 -3.40 115.58 113.37 2jpq h ASN 46 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2jpq h ASN 46 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2jpq h ASN 46 CO -0.12 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 175.91 2jpq n GLN 47 N -3.21 0.00 -3.66 0.81 6.02 -0.65 -4.94 117.38 111.76 2jpq n GLN 47 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 2jpq n GLN 47 Cb 0.58 -0.30 -0.07 0.00 1.02 0.00 0.00 30.24 31.47 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 -2.38 2.54 -3.56 -1.09 1.74 0.45 -4.98 116.66 109.39 2jpq n ARG 48 Ca 0.00 -4.50 -0.06 0.00 -0.77 0.00 0.00 57.85 52.52 2jpq n ARG 48 Cb 0.00 -2.38 -0.02 0.00 -1.02 0.00 0.00 32.46 29.04 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 -1.52 0.00 0.04 1.55 0.11 -1.23 -4.71 120.40 114.64 2jpq s VAL 49 Ca 0.28 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 2jpq s VAL 49 Cb -0.05 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.73 2jpq s VAL 49 CO -0.12 0.00 1.56 0.00 -3.33 0.00 0.00 175.10 173.21 2jpq s ALA 50 N -2.58 3.65 0.33 1.54 0.00 -1.26 -4.89 121.76 118.55 2jpq s ALA 50 Ca 0.08 1.09 0.06 0.00 0.00 0.00 0.00 51.96 53.18 2jpq s ALA 50 Cb -0.01 -3.66 0.71 0.00 0.00 0.00 0.00 23.12 20.16 2jpq s ALA 50 CO -0.06 -1.04 1.89 0.00 0.00 0.00 0.00 175.76 176.55 2jpq h ALA 51 N 8.15 1.70 0.00 0.00 0.00 -1.98 0.20 119.26 127.34 2jpq h ALA 51 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jpq h ALA 51 Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jpq h ALA 51 CO 0.92 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.93 2jpq h SER 52 N 0.82 0.00 0.17 0.00 4.64 -2.01 -2.91 113.55 114.26 2jpq h SER 52 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2jpq h SER 52 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2jpq h SER 52 CO -0.19 0.00 -1.21 1.67 -0.87 0.00 0.00 176.83 176.23 2jpq n GLN 53 N -2.60 0.25 0.12 4.77 -0.06 0.52 -4.57 117.38 115.81 2jpq n GLN 53 Ca 0.03 -0.05 -0.14 0.00 -2.00 0.00 0.00 57.00 54.84 2jpq n GLN 53 Cb 0.34 -1.54 -0.08 0.00 -4.06 0.00 0.00 30.24 24.90 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 -0.64 -0.59 3.69 3.08 -0.83 0.43 114.38 119.52 2jpq h ARG 54 Ca 0.00 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2jpq h ARG 54 Cb 0.69 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 2jpq h ARG 54 CO 0.00 -0.43 0.33 -0.22 -1.07 0.00 0.00 179.97 178.58 2jpq h LYS 55 N -0.66 0.61 0.09 0.04 1.63 -1.81 -0.40 116.57 116.07 2jpq h LYS 55 Ca -0.01 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2jpq h LYS 55 Cb 0.64 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2jpq h LYS 55 CO -0.20 0.40 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.09 2jpq h LEU 56 N 0.63 -0.11 -1.00 5.20 3.38 -1.69 -0.03 115.31 121.69 2jpq h LEU 56 Ca 0.25 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2jpq h LEU 56 Cb 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jpq h LEU 56 CO -0.15 0.05 -0.18 -0.29 0.09 0.00 0.00 178.44 177.96 2jpq h ILE 57 N -0.26 0.42 -0.01 1.22 2.10 -0.00 0.18 117.51 121.17 2jpq h ILE 57 Ca -0.01 -1.08 -0.22 0.00 1.08 0.00 0.00 64.86 64.63 2jpq h ILE 57 Cb 0.22 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 2jpq h ILE 57 CO 0.02 0.18 -0.93 0.00 -1.08 0.00 0.00 178.15 176.34 2jpq h ALA 58 N 1.82 0.37 -0.13 0.18 0.00 -0.91 0.40 119.26 120.98 2jpq h ALA 58 Ca -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2jpq h ALA 58 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jpq h ALA 58 CO 0.02 0.80 0.05 1.49 0.00 0.00 0.00 179.25 181.62 2jpq h GLU 59 N 0.25 0.20 -0.85 0.00 4.22 -0.09 0.72 114.58 119.03 2jpq h GLU 59 Ca -0.08 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.35 2jpq h GLU 59 Cb 1.56 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.73 2jpq h GLU 59 CO 0.16 0.29 0.55 0.87 -2.18 0.00 0.00 179.01 178.70 2jpq h LYS 60 N 0.06 1.05 0.51 1.92 1.57 -0.67 0.13 116.57 121.14 2jpq h LYS 60 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2jpq h LYS 60 Cb 0.17 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2jpq h LYS 60 CO -0.00 0.70 -0.30 0.35 -0.57 0.00 0.00 179.45 179.62 2jpq h PHE 61 N 1.08 -0.79 -0.73 -1.35 3.57 -0.68 0.15 116.94 118.20 2jpq h PHE 61 Ca 0.33 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.86 2jpq h PHE 61 Cb -0.03 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2jpq h PHE 61 CO -0.02 -0.47 0.44 0.00 -2.23 0.00 0.00 178.31 176.04 2jpq h ALA 62 N -0.32 0.97 -0.44 2.41 0.00 -0.57 -1.30 119.26 120.02 2jpq h ALA 62 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jpq h ALA 62 Cb 0.62 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jpq h ALA 62 CO 0.07 0.18 -0.00 0.37 0.00 0.00 0.00 179.25 179.87 2jpq h GLN 63 N 0.84 0.71 -0.44 0.00 4.15 -0.59 -1.95 115.11 117.83 2jpq h GLN 63 Ca 0.31 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2jpq h GLN 63 Cb 0.10 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2jpq h GLN 63 CO -0.14 0.73 0.20 0.00 -1.93 0.00 0.00 178.83 177.69 2jpq h ALA 64 N 1.33 0.57 -0.84 3.38 0.00 0.27 0.32 119.26 124.29 2jpq h ALA 64 Ca 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2jpq h ALA 64 Cb 0.42 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2jpq h ALA 64 CO 0.02 0.15 0.52 -0.07 0.00 0.00 0.00 179.25 179.87 2jpq h LEU 65 N 0.57 0.84 0.00 0.00 4.07 -0.90 0.07 115.31 119.95 2jpq h LEU 65 Ca 0.15 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.12 2jpq h LEU 65 Cb 0.15 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.72 2jpq h LEU 65 CO -0.02 0.55 -0.35 0.23 -1.08 0.00 0.00 178.44 177.77 2jpq n MET 66 N -4.61 0.21 0.10 1.13 2.81 -0.77 -1.06 117.12 114.93 2jpq n MET 66 Ca 0.11 0.10 -0.21 0.00 -1.81 0.00 0.00 57.70 55.89 2jpq n MET 66 Cb 0.15 -1.67 -0.15 0.00 -0.71 0.00 0.00 33.22 30.83 2jpq n MET 66 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jpq h SER 67 N 0.00 0.61 -0.59 7.83 0.87 0.25 -3.27 113.55 119.24 2jpq h SER 67 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2jpq h SER 67 Cb 0.68 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2jpq h SER 67 CO 0.00 1.62 0.00 -0.24 -0.53 0.00 0.00 176.83 177.68 2jpq n SER 68 N -3.59 4.35 -3.58 6.23 2.88 -0.05 -4.70 113.62 115.17 2jpq n SER 68 Ca -0.18 -2.40 -0.40 0.00 -1.33 0.00 0.00 58.87 54.56 2jpq n SER 68 Cb 1.07 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2jpq n SER 68 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2jpq n LEU 69 N 1.01 6.39 -4.53 2.46 7.94 -0.22 -4.89 117.00 125.16 2jpq n LEU 69 Ca 0.23 -3.77 -0.42 0.00 -1.11 0.00 0.00 56.01 50.94 2jpq n LEU 69 Cb 0.82 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.27 2jpq n LEU 69 CO 0.22 0.90 1.04 -0.70 -1.11 0.00 0.00 177.39 177.73 2jpq s GLU 70 N 3.45 3.24 0.06 1.96 2.12 -1.26 -5.00 118.70 123.27 2jpq s GLU 70 Ca 0.53 -0.28 -0.31 0.00 0.36 0.00 0.00 54.97 55.27 2jpq s GLU 70 Cb 0.14 -4.15 -0.06 0.00 0.26 0.00 0.00 34.13 30.32 2jpq s GLU 70 CO -0.03 -1.96 1.29 0.99 -0.54 0.00 0.00 175.26 175.02 2jpq s THR 71 N 5.14 3.77 -0.77 -1.70 2.01 -1.26 -4.87 115.64 117.95 2jpq s THR 71 Ca 0.33 1.24 -0.34 0.00 0.31 0.00 0.00 61.69 63.23 2jpq s THR 71 Cb -0.10 -3.80 -0.19 0.00 0.01 0.00 0.00 72.50 68.42 2jpq s THR 71 CO 0.16 0.07 2.49 -2.65 -0.69 0.00 0.00 174.62 174.00 2jpq n PRO 72 N 4.27 0.18 -4.07 4.92 -0.02 -1.26 -4.92 135.00 134.11 2jpq n PRO 72 Ca 0.11 0.02 -0.26 0.00 -2.02 0.00 0.00 63.50 61.35 2jpq n PRO 72 Cb 0.45 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 2jpq n PRO 72 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2jpq n LYS 73 N 8.26 0.96 -3.19 -0.52 5.02 -1.26 -5.11 118.16 122.31 2jpq n LYS 73 Ca 0.59 -3.01 -0.40 0.00 -2.02 0.00 0.00 58.31 53.47 2jpq n LYS 73 Cb 0.07 0.73 -0.06 0.00 -0.02 0.00 0.00 35.03 35.75 2jpq n LYS 73 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2jpq s THR 74 N -2.46 5.07 0.00 -0.18 -1.32 -1.26 -4.97 115.64 110.52 2jpq s THR 74 Ca 0.04 1.06 0.00 0.00 -1.21 0.00 0.00 61.69 61.58 2jpq s THR 74 Cb -0.00 -3.89 0.00 0.00 -1.51 0.00 0.00 72.50 67.10 2jpq s THR 74 CO 0.03 0.15 0.00 1.41 -2.21 0.00 0.00 174.62 174.00 2jpq n HIS 75 N 4.86 0.00 -3.80 9.09 -0.00 -1.26 -4.92 115.22 119.19 2jpq n HIS 75 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.41 2jpq n HIS 75 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.37 2jpq n HIS 75 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2jpq s LEU 76 N -3.15 4.05 -0.46 2.41 1.43 -1.26 -5.03 118.68 116.66 2jpq s LEU 76 Ca 0.00 -3.60 0.03 0.00 -1.03 0.00 0.00 54.13 49.52 2jpq s LEU 76 Cb 0.00 -1.38 0.13 0.00 0.03 0.00 0.00 46.19 44.97 2jpq s LEU 76 CO 0.00 -0.12 0.24 -0.70 0.23 0.00 0.00 176.35 176.00 2jpq s GLU 77 N -1.02 1.50 -0.30 1.70 2.12 -1.26 -4.83 118.70 116.61 2jpq s GLU 77 Ca 0.26 -2.19 0.09 0.00 0.36 0.00 0.00 54.97 53.49 2jpq s GLU 77 Cb -0.05 -2.66 0.32 0.00 0.26 0.00 0.00 34.13 32.00 2jpq s GLU 77 CO -0.16 -1.14 1.32 1.58 -0.54 0.00 0.00 175.26 176.32 2jpq n HIS 78 N 3.43 -1.75 -1.26 5.30 -0.00 -1.26 -4.96 115.22 114.72 2jpq n HIS 78 Ca 0.07 -1.44 0.00 0.00 0.46 0.00 0.00 57.72 56.81 2jpq n HIS 78 Cb 0.34 1.40 0.01 0.00 -0.12 0.00 0.00 29.99 31.62 2jpq n HIS 78 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jpq n HIS 79 N -1.03 0.00 -0.08 1.57 8.25 -1.26 -4.54 115.22 118.13 2jpq n HIS 79 Ca -0.13 -0.09 -0.12 0.00 -0.26 0.00 0.00 57.72 57.12 2jpq n HIS 79 Cb 0.80 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.83 2jpq n HIS 79 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jpq h HIS 80 N 0.00 0.61 -3.76 4.41 6.17 -1.98 -3.37 115.15 117.23 2jpq h HIS 80 Ca 0.00 -0.16 -0.65 0.00 0.71 0.00 0.00 60.37 60.27 2jpq h HIS 80 Cb 1.10 -0.14 -0.37 0.00 2.52 0.00 0.00 27.41 30.52 2jpq h HIS 80 CO 0.03 0.81 -0.80 -3.38 0.71 0.00 0.00 177.93 175.31 2jpq s HIS 81 N -4.51 2.98 -1.44 5.26 -3.43 -1.26 -5.05 115.29 107.83 2jpq s HIS 81 Ca -0.13 -2.12 -0.14 0.00 -0.80 0.00 0.00 55.06 51.87 2jpq s HIS 81 Cb 0.07 -1.82 0.05 0.00 -1.43 0.00 0.00 32.58 29.45 2jpq s HIS 81 CO 0.78 -0.84 2.19 -2.39 -2.00 0.00 0.00 174.74 172.48 2jpq n HIS 82 N 4.51 3.51 -0.95 0.38 1.44 -1.26 -4.98 115.22 117.88 2jpq n HIS 82 Ca -0.14 -2.96 0.00 0.00 -2.01 0.00 0.00 57.72 52.61 2jpq n HIS 82 Cb 0.43 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 28.03 2jpq n HIS 82 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11