#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpq n PRO 2 N 0.00 -0.48 0.21 0.03 -0.04 -1.26 -4.97 135.00 128.50 2jpq n PRO 2 Ca 0.00 -0.89 0.09 0.00 -0.04 0.00 0.00 63.50 62.67 2jpq n PRO 2 Cb 0.00 -0.55 0.41 0.00 -0.04 0.00 0.00 33.50 33.32 2jpq n PRO 2 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2jpq h ILE 3 N -1.26 0.59 -2.58 0.52 3.07 -2.09 -3.42 117.51 112.35 2jpq h ILE 3 Ca -0.18 -1.23 -0.54 0.00 1.55 0.00 0.00 64.86 64.47 2jpq h ILE 3 Cb 0.50 1.83 -0.06 0.00 -0.27 0.00 0.00 36.82 38.82 2jpq h ILE 3 CO 0.13 0.25 1.15 -0.89 -1.05 0.00 0.00 178.15 177.73 2jpq s THR 4 N -3.60 3.68 0.42 0.16 2.01 -1.26 -4.99 115.64 112.07 2jpq s THR 4 Ca 0.01 0.53 -0.23 0.00 0.31 0.00 0.00 61.69 62.31 2jpq s THR 4 Cb 0.10 -4.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 2jpq s THR 4 CO 0.65 -1.22 1.02 -0.44 -0.69 0.00 0.00 174.62 173.94 2jpq s SER 5 N 5.04 6.72 0.10 3.53 0.01 -1.26 -4.96 113.70 122.88 2jpq s SER 5 Ca 0.53 1.93 0.24 0.00 1.31 0.00 0.00 55.95 59.96 2jpq s SER 5 Cb -0.11 -2.57 0.36 0.00 0.21 0.00 0.00 66.02 63.91 2jpq s SER 5 CO 0.23 -0.52 1.32 1.17 0.41 0.00 0.00 173.24 175.85 2jpq n LYS 6 N -0.37 0.26 0.00 12.44 4.81 -1.26 -5.05 118.16 128.99 2jpq n LYS 6 Ca 0.06 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2jpq n LYS 6 Cb 0.51 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.90 2jpq n LYS 6 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jpq n TYR 7 N -2.04 -1.85 -2.48 5.64 4.01 -1.26 -4.61 117.16 114.58 2jpq n TYR 7 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2jpq n TYR 7 Cb 0.43 0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 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 4.07 0.15 -0.72 -4.23 -1.26 -4.94 115.64 108.72 2jpq s THR 8 Ca 0.00 1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 61.91 2jpq s THR 8 Cb 0.00 -4.00 0.01 0.00 1.34 0.00 0.00 72.50 69.85 2jpq s THR 8 CO 0.00 0.16 1.79 0.44 -0.54 0.00 0.00 174.62 176.47 2jpq h ASP 9 N 6.33 0.32 -0.30 3.99 3.32 -2.01 -2.41 116.42 125.66 2jpq h ASP 9 Ca -0.42 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.67 2jpq h ASP 9 Cb 1.21 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2jpq h ASP 9 CO 0.78 0.23 0.11 -0.33 -1.72 0.00 0.00 179.24 178.31 2jpq h GLU 10 N 0.41 0.23 0.03 3.56 3.07 -1.97 -1.01 114.58 118.91 2jpq h GLU 10 Ca 0.15 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 2jpq h GLU 10 Cb 0.03 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.84 2jpq h GLU 10 CO -0.09 0.15 -0.30 0.37 -1.40 0.00 0.00 179.01 177.74 2jpq h GLN 11 N 0.24 -0.46 -0.39 2.33 4.15 -1.85 0.40 115.11 119.53 2jpq h GLN 11 Ca 0.13 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2jpq h GLN 11 Cb 0.09 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2jpq h GLN 11 CO -0.13 -0.30 0.23 0.28 -1.93 0.00 0.00 178.83 176.98 2jpq h VAL 12 N -0.47 1.13 -0.23 2.39 2.07 -1.29 -0.89 116.25 118.96 2jpq h VAL 12 Ca 0.05 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 2jpq h VAL 12 Cb 0.54 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2jpq h VAL 12 CO -0.24 0.13 -0.38 -0.08 0.02 0.00 0.00 177.57 177.03 2jpq h GLU 13 N 0.51 0.52 -0.31 1.57 4.57 -0.83 -1.88 114.58 118.73 2jpq h GLU 13 Ca 0.14 -0.25 -0.18 0.00 -1.18 0.00 0.00 59.36 57.89 2jpq h GLU 13 Cb 0.01 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2jpq h GLU 13 CO -0.03 0.82 -0.52 0.87 -1.18 0.00 0.00 179.01 178.97 2jpq h LYS 14 N 0.43 0.90 -0.74 1.92 6.56 0.02 -1.75 116.57 123.91 2jpq h LYS 14 Ca 0.04 -0.55 -0.03 0.00 -1.06 0.00 0.00 60.65 59.05 2jpq h LYS 14 Cb 0.86 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.54 2jpq h LYS 14 CO 0.07 1.19 0.36 0.82 -2.06 0.00 0.00 179.45 179.83 2jpq h ILE 15 N 0.69 1.24 -1.00 1.86 2.04 -0.99 0.07 117.51 121.42 2jpq h ILE 15 Ca 0.02 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.22 2jpq h ILE 15 Cb 1.13 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2jpq h ILE 15 CO 0.12 0.28 0.66 -0.07 0.00 0.00 0.00 178.15 179.14 2jpq h LEU 16 N 1.05 1.13 -0.74 1.44 3.38 -1.23 0.82 115.31 121.15 2jpq h LEU 16 Ca 0.26 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2jpq h LEU 16 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2jpq h LEU 16 CO -0.03 0.81 -0.05 0.00 0.09 0.00 0.00 178.44 179.26 2jpq h ALA 17 N 1.37 0.94 -0.35 1.53 0.00 -0.56 0.13 119.26 122.34 2jpq h ALA 17 Ca 0.37 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jpq h ALA 17 Cb -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2jpq h ALA 17 CO -0.09 0.63 0.07 0.93 0.00 0.00 0.00 179.25 180.79 2jpq h GLU 18 N 0.83 0.56 -0.44 0.00 5.08 -0.30 -0.08 114.58 120.23 2jpq h GLU 18 Ca 0.15 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2jpq h GLU 18 Cb 0.56 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2jpq h GLU 18 CO 0.03 0.62 0.24 0.28 -1.00 0.00 0.00 179.01 179.18 2jpq h VAL 19 N 0.41 1.16 -0.64 3.13 2.07 -0.63 -1.90 116.25 119.85 2jpq h VAL 19 Ca 0.11 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.21 2jpq h VAL 19 Cb 0.32 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2jpq h VAL 19 CO 0.00 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.19 2jpq h ALA 20 N 1.09 1.56 -0.35 1.67 0.00 -0.58 -0.94 119.26 121.71 2jpq h ALA 20 Ca 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2jpq h ALA 20 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2jpq h ALA 20 CO -0.02 0.40 -0.05 1.25 0.00 0.00 0.00 179.25 180.83 2jpq h LEU 21 N 0.85 0.54 -0.49 0.00 6.46 -0.46 -0.83 115.31 121.38 2jpq h LEU 21 Ca 0.24 -0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.73 2jpq h LEU 21 Cb -0.08 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2jpq h LEU 21 CO -0.05 0.64 -0.30 0.58 -0.62 0.00 0.00 178.44 178.69 2jpq h VAL 22 N 0.53 1.27 -0.10 1.05 2.07 -0.43 0.23 116.25 120.88 2jpq h VAL 22 Ca 0.11 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 2jpq h VAL 22 Cb 0.42 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2jpq h VAL 22 CO 0.02 0.49 0.06 -0.07 0.02 0.00 0.00 177.57 178.09 2jpq h LEU 23 N 0.78 0.12 -0.90 2.57 4.07 -0.91 -2.53 115.31 118.51 2jpq h LEU 23 Ca 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 2jpq h LEU 23 Cb 0.87 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 2jpq h LEU 23 CO 0.08 0.12 0.43 -0.08 -1.08 0.00 0.00 178.44 177.91 2jpq h GLU 24 N 0.10 1.22 -0.85 1.13 4.81 -0.99 0.31 114.58 120.31 2jpq h GLU 24 Ca 0.03 -0.17 0.11 0.00 -0.13 0.00 0.00 59.36 59.21 2jpq h GLU 24 Cb 0.02 -0.23 -0.08 0.00 0.63 0.00 0.00 28.75 29.09 2jpq h GLU 24 CO -0.01 0.92 0.48 -0.22 -0.73 0.00 0.00 179.01 179.46 2jpq h LYS 25 N 1.22 0.74 -0.42 1.92 3.64 -0.13 -1.86 116.57 121.67 2jpq h LYS 25 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2jpq h LYS 25 Cb 0.08 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2jpq h LYS 25 CO -0.04 0.49 0.00 0.72 -2.27 0.00 0.00 179.45 178.35 2jpq n HIS 26 N -4.77 0.55 -3.49 1.91 8.25 -0.99 -4.97 115.22 111.72 2jpq n HIS 26 Ca 0.15 -0.37 -0.19 0.00 -0.26 0.00 0.00 57.72 57.05 2jpq n HIS 26 Cb 0.34 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.52 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 1.08 -1.83 -2.00 -1.41 0.00 -0.45 -4.91 120.51 110.99 2jpq n ALA 27 Ca 0.16 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 2jpq n ALA 27 Cb 0.51 -3.21 -0.03 0.00 0.00 0.00 0.00 19.45 16.72 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 -3.36 3.63 0.51 0.00 0.00 0.96 -4.99 121.76 118.51 2jpq s ALA 28 Ca 0.16 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 2jpq s ALA 28 Cb -0.07 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.25 2jpq s ALA 28 CO 0.73 -1.31 1.01 0.45 0.00 0.00 0.00 175.76 176.65 2jpq s SER 29 N 3.10 6.37 0.33 0.00 0.15 -1.26 -4.80 113.70 117.58 2jpq s SER 29 Ca 0.73 1.75 0.11 0.00 0.70 0.00 0.00 55.95 59.25 2jpq s SER 29 Cb -0.35 -2.53 0.98 0.00 -1.71 0.00 0.00 66.02 62.41 2jpq s SER 29 CO 0.30 -0.76 1.68 1.55 1.20 0.00 0.00 173.24 177.21 2jpq h PRO 30 N 1.12 0.36 -0.43 5.44 0.13 -1.99 0.13 132.00 136.76 2jpq h PRO 30 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2jpq h PRO 30 Cb 1.20 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2jpq h PRO 30 CO 0.60 0.24 0.28 0.93 -0.23 0.00 0.00 178.00 179.82 2jpq h GLU 31 N 0.37 0.58 -0.52 0.86 3.07 -1.99 -1.60 114.58 115.34 2jpq h GLU 31 Ca 0.68 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.44 2jpq h GLU 31 Cb 1.48 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.23 2jpq h GLU 31 CO -0.58 0.39 0.05 1.25 -1.40 0.00 0.00 179.01 178.72 2jpq h LEU 32 N 0.59 0.81 0.05 1.33 5.85 -1.19 -0.31 115.31 122.43 2jpq h LEU 32 Ca 0.16 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2jpq h LEU 32 Cb -0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2jpq h LEU 32 CO -0.03 0.84 -0.18 0.74 -0.34 0.00 0.00 178.44 179.47 2jpq h THR 33 N 0.80 0.59 0.00 1.05 2.02 -0.38 0.83 112.91 117.82 2jpq h THR 33 Ca 0.16 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 2jpq h THR 33 Cb 0.41 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2jpq h THR 33 CO 0.01 0.00 -0.29 0.25 0.37 0.00 0.00 175.52 175.86 2jpq h LEU 34 N -0.31 0.00 -0.16 2.58 6.46 -1.17 -2.35 115.31 120.35 2jpq h LEU 34 Ca 0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2jpq h LEU 34 Cb 0.36 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2jpq h LEU 34 CO -0.13 0.29 0.07 -0.03 -0.62 0.00 0.00 178.44 178.02 2jpq h MET 35 N 0.00 0.24 -0.91 1.25 4.05 -0.53 -2.49 114.93 116.53 2jpq h MET 35 Ca -0.00 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2jpq h MET 35 Cb 1.00 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.71 2jpq h MET 35 CO 0.04 0.30 0.59 0.82 0.23 0.00 0.00 176.91 178.88 2jpq h ILE 36 N 0.12 1.24 -0.88 1.77 2.04 -0.56 -0.88 117.51 120.36 2jpq h ILE 36 Ca 0.06 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2jpq h ILE 36 Cb 0.14 -0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.07 2jpq h ILE 36 CO -0.01 0.24 0.54 0.00 0.00 0.00 0.00 178.15 178.92 2jpq h ALA 37 N 1.32 1.21 -0.31 1.87 0.00 -1.29 0.11 119.26 122.17 2jpq h ALA 37 Ca 0.33 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 2jpq h ALA 37 Cb -0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2jpq h ALA 37 CO -0.07 0.29 -0.38 0.78 0.00 0.00 0.00 179.25 179.87 2jpq h GLY 38 N 0.99 0.79 1.00 0.00 0.00 -0.91 -2.11 103.07 102.82 2jpq h GLY 38 Ca 0.38 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2jpq h GLY 38 CO -0.18 0.71 0.32 3.43 0.00 0.00 0.00 176.54 180.83 2jpq h ASN 39 N 0.60 0.81 0.49 0.19 2.35 -0.32 -1.40 115.58 118.30 2jpq h ASN 39 Ca 0.05 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2jpq h ASN 39 Cb 0.92 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 2jpq h ASN 39 CO 0.08 0.69 -0.31 0.40 -1.65 0.00 0.00 177.43 176.65 2jpq h ILE 40 N 0.86 0.36 -0.10 2.81 2.04 -0.65 -1.19 117.51 121.65 2jpq h ILE 40 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 2jpq h ILE 40 Cb 0.09 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2jpq h ILE 40 CO -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 177.92 2jpq h ALA 41 N -0.31 -0.18 -0.44 1.87 0.00 -1.25 -0.33 119.26 118.62 2jpq h ALA 41 Ca -0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jpq h ALA 41 Cb 0.63 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2jpq h ALA 41 CO 0.05 -0.67 0.29 1.15 0.00 0.00 0.00 179.25 180.07 2jpq h THR 42 N -0.27 1.10 -0.50 0.00 2.02 -1.23 -0.12 112.91 113.92 2jpq h THR 42 Ca 0.09 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 2jpq h THR 42 Cb 0.40 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2jpq h THR 42 CO -0.25 0.11 0.08 -1.13 0.37 0.00 0.00 175.52 174.70 2jpq h ASN 43 N 0.58 0.73 -0.57 4.18 -1.24 -0.84 0.44 115.58 118.86 2jpq h ASN 43 Ca 0.16 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 2jpq h ASN 43 Cb -0.06 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 2jpq h ASN 43 CO -0.04 0.75 0.14 0.58 -1.29 0.00 0.00 177.43 177.57 2jpq h VAL 44 N 0.75 1.25 -0.30 2.57 2.07 -0.54 -0.39 116.25 121.65 2jpq h VAL 44 Ca 0.16 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2jpq h VAL 44 Cb 0.33 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2jpq h VAL 44 CO 0.00 0.33 0.06 -0.07 0.02 0.00 0.00 177.57 177.91 2jpq h LEU 45 N 0.83 0.40 0.24 2.57 3.38 -0.09 0.10 115.31 122.75 2jpq h LEU 45 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jpq h LEU 45 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jpq h LEU 45 CO 0.00 0.43 -0.12 0.78 0.09 0.00 0.00 178.44 179.62 2jpq h ASN 46 N 0.44 -0.28 0.00 -0.43 -0.26 -0.54 -3.40 115.58 111.11 2jpq h ASN 46 Ca 0.10 -0.23 -0.37 0.00 -0.56 0.00 0.00 56.30 55.24 2jpq h ASN 46 Cb 0.20 0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 37.46 2jpq h ASN 46 CO -0.00 0.23 -2.41 0.00 -1.06 0.00 0.00 177.43 174.19 2jpq n GLN 47 N -5.00 0.63 -0.55 0.81 6.02 -0.19 -4.63 117.38 114.46 2jpq n GLN 47 Ca -0.07 0.14 0.08 0.00 -0.01 0.00 0.00 57.00 57.13 2jpq n GLN 47 Cb 0.25 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.31 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 -3.20 3.44 -3.94 -1.09 1.74 0.32 -4.94 116.66 108.98 2jpq n ARG 48 Ca -0.43 -2.90 -0.08 0.00 -0.77 0.00 0.00 57.85 53.66 2jpq n ARG 48 Cb 0.97 -1.93 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.72 0.16 0.39 1.55 0.11 -0.94 -4.93 120.40 114.01 2jpq s VAL 49 Ca 0.45 -1.35 -0.25 0.00 -2.93 0.00 0.00 61.98 57.90 2jpq s VAL 49 Cb 0.35 -1.31 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 2jpq s VAL 49 CO 0.11 -0.75 1.13 0.00 -3.33 0.00 0.00 175.10 172.26 2jpq s ALA 50 N -3.63 3.14 0.22 1.54 0.00 -1.26 -4.84 121.76 116.93 2jpq s ALA 50 Ca 0.04 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 2jpq s ALA 50 Cb 0.05 -3.34 0.33 0.00 0.00 0.00 0.00 23.12 20.15 2jpq s ALA 50 CO -0.09 -0.41 1.76 0.00 0.00 0.00 0.00 175.76 177.01 2jpq h ALA 51 N 2.65 0.92 0.00 0.00 0.00 -1.94 0.21 119.26 121.10 2jpq h ALA 51 Ca -0.48 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jpq h ALA 51 Cb 1.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jpq h ALA 51 CO 0.63 -0.12 -0.00 0.77 0.00 0.00 0.00 179.25 180.52 2jpq h SER 52 N 0.51 0.00 1.38 0.00 0.02 -1.99 -2.84 113.55 110.63 2jpq h SER 52 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2jpq h SER 52 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2jpq h SER 52 CO -0.30 0.00 -0.56 -0.61 -1.14 0.00 0.00 176.83 174.22 2jpq h GLN 53 N 0.00 0.00 -0.58 3.45 5.75 -1.39 -3.37 115.11 118.97 2jpq h GLN 53 Ca -0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 2jpq h GLN 53 Cb 0.67 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.14 2jpq h GLN 53 CO 0.00 0.00 0.11 0.00 -2.65 0.00 0.00 178.83 176.29 2jpq h ARG 54 N 0.00 0.24 0.47 1.69 3.08 -0.92 0.18 114.38 119.12 2jpq h ARG 54 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2jpq h ARG 54 Cb 0.97 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2jpq h ARG 54 CO 0.00 0.16 -0.23 0.87 -1.07 0.00 0.00 179.97 179.70 2jpq h LYS 55 N 0.24 -0.61 0.28 0.04 1.79 -1.76 -1.58 116.57 114.96 2jpq h LYS 55 Ca 0.30 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.80 2jpq h LYS 55 Cb 0.45 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2jpq h LYS 55 CO -0.40 -0.39 -0.13 1.25 -1.08 0.00 0.00 179.45 178.70 2jpq h LEU 56 N -0.68 -0.32 -1.30 2.94 6.46 -1.64 -2.25 115.31 118.53 2jpq h LEU 56 Ca -0.06 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 2jpq h LEU 56 Cb 0.51 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 2jpq h LEU 56 CO 0.11 -0.21 -0.23 -0.29 -0.62 0.00 0.00 178.44 177.20 2jpq h ILE 57 N -0.39 0.63 -0.05 4.05 2.10 -0.69 0.30 117.51 123.45 2jpq h ILE 57 Ca -0.04 -1.04 -0.17 0.00 1.08 0.00 0.00 64.86 64.69 2jpq h ILE 57 Cb 0.30 1.68 0.01 0.00 -1.09 0.00 0.00 36.82 37.72 2jpq h ILE 57 CO 0.06 0.22 -0.65 0.00 -1.08 0.00 0.00 178.15 176.71 2jpq h ALA 58 N 1.77 0.15 -0.09 0.18 0.00 -1.15 -2.32 119.26 117.80 2jpq h ALA 58 Ca -0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 2jpq h ALA 58 Cb 0.66 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jpq h ALA 58 CO 0.03 0.44 -0.55 0.93 0.00 0.00 0.00 179.25 180.10 2jpq h GLU 59 N 0.11 0.27 -0.87 0.00 5.08 -0.95 -2.09 114.58 116.13 2jpq h GLU 59 Ca -0.07 -0.17 0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2jpq h GLU 59 Cb 1.32 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 2jpq h GLU 59 CO 0.13 0.75 0.48 -0.22 -1.00 0.00 0.00 179.01 179.15 2jpq h LYS 60 N 0.21 0.71 0.26 2.33 3.64 -0.41 0.25 116.57 123.56 2jpq h LYS 60 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2jpq h LYS 60 Cb 1.04 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2jpq h LYS 60 CO 0.09 0.47 -0.12 0.35 -2.27 0.00 0.00 179.45 177.96 2jpq h PHE 61 N 0.73 -0.32 -0.59 1.91 3.57 -0.90 -2.56 116.94 118.78 2jpq h PHE 61 Ca 0.45 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 2jpq h PHE 61 Cb 0.55 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2jpq h PHE 61 CO -0.07 -0.06 0.26 0.00 -2.23 0.00 0.00 178.31 176.21 2jpq h ALA 62 N 0.12 0.76 -0.46 2.41 0.00 -0.74 0.62 119.26 121.97 2jpq h ALA 62 Ca -0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2jpq h ALA 62 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jpq h ALA 62 CO 0.06 0.35 -0.10 1.96 0.00 0.00 0.00 179.25 181.51 2jpq h GLN 63 N 0.80 0.83 -0.34 0.00 4.20 -0.60 0.41 115.11 120.42 2jpq h GLN 63 Ca 0.20 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2jpq h GLN 63 Cb 0.16 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2jpq h GLN 63 CO -0.02 0.90 -0.02 0.00 -0.67 0.00 0.00 178.83 179.02 2jpq h ALA 64 N 1.13 0.46 -0.67 3.87 0.00 -1.11 -1.92 119.26 121.01 2jpq h ALA 64 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2jpq h ALA 64 Cb 0.60 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jpq h ALA 64 CO 0.04 0.23 0.21 1.25 0.00 0.00 0.00 179.25 180.98 2jpq h LEU 65 N 0.41 0.98 -1.50 0.00 5.85 -0.54 -0.61 115.31 119.90 2jpq h LEU 65 Ca 0.09 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2jpq h LEU 65 Cb 0.48 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2jpq h LEU 65 CO 0.02 0.92 -0.26 -0.03 -0.34 0.00 0.00 178.44 178.76 2jpq h MET 66 N 0.98 0.00 0.00 1.25 4.05 -0.09 -2.01 114.93 119.11 2jpq h MET 66 Ca 0.22 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.50 2jpq h MET 66 Cb 0.29 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 2jpq h MET 66 CO -0.01 0.26 -1.01 0.77 0.23 0.00 0.00 176.91 177.15 2jpq h SER 67 N 0.00 0.00 -0.20 1.39 0.02 -0.93 -3.25 113.55 110.58 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 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2jpq h SER 67 CO 0.03 0.54 0.00 -1.20 -1.14 0.00 0.00 176.83 175.06 2jpq n SER 68 N -3.03 1.62 -4.59 3.07 7.64 -0.27 -4.79 113.62 113.26 2jpq n SER 68 Ca -0.04 -1.76 -0.43 0.00 1.01 0.00 0.00 58.87 57.65 2jpq n SER 68 Cb 0.79 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2jpq n SER 68 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jpq s LEU 69 N -1.44 3.68 0.21 -3.43 0.20 -0.82 -5.02 118.68 112.06 2jpq s LEU 69 Ca 0.30 0.37 0.04 0.00 0.69 0.00 0.00 54.13 55.53 2jpq s LEU 69 Cb 0.16 -3.46 -0.03 0.00 -0.43 0.00 0.00 46.19 42.43 2jpq s LEU 69 CO 0.24 -1.24 0.32 -1.61 -0.29 0.00 0.00 176.35 173.77 2jpq s GLU 70 N 4.39 3.41 -0.28 1.98 2.02 -1.26 -5.05 118.70 123.90 2jpq s GLU 70 Ca 0.46 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 2jpq s GLU 70 Cb -0.08 -2.90 0.09 0.00 0.10 0.00 0.00 34.13 31.35 2jpq s GLU 70 CO 0.30 0.46 0.11 0.99 0.02 0.00 0.00 175.26 177.14 2jpq s THR 71 N -1.90 0.30 -0.31 3.63 2.01 -1.26 -5.11 115.64 113.01 2jpq s THR 71 Ca 0.34 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 2jpq s THR 71 Cb -0.10 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.23 2jpq s THR 71 CO 0.29 -0.64 1.03 -2.16 -0.69 0.00 0.00 174.62 172.44 2jpq s PRO 72 N 1.92 4.08 0.69 4.92 0.05 -1.26 -5.04 135.00 140.35 2jpq s PRO 72 Ca 0.08 1.04 -0.06 0.00 0.05 0.00 0.00 61.00 62.11 2jpq s PRO 72 Cb -0.17 -3.72 0.06 0.00 0.05 0.00 0.00 34.50 30.72 2jpq s PRO 72 CO -0.29 -0.83 0.99 0.15 0.05 0.00 0.00 177.00 177.07 2jpq s LYS 73 N 3.48 2.21 -0.21 4.56 1.02 -1.26 -5.05 119.74 124.49 2jpq s LYS 73 Ca 0.43 -0.34 -0.17 0.00 0.02 0.00 0.00 55.97 55.92 2jpq s LYS 73 Cb -0.13 -2.21 -0.13 0.00 -0.52 0.00 0.00 37.83 34.85 2jpq s LYS 73 CO 0.14 -1.20 -0.06 0.25 -0.92 0.00 0.00 175.35 173.56 2jpq n THR 74 N -2.86 1.51 -4.37 2.17 -2.24 -1.26 -5.03 114.28 102.20 2jpq n THR 74 Ca 0.08 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 2jpq n THR 74 Cb 0.60 -2.10 -0.10 0.00 -2.10 0.00 0.00 70.33 66.63 2jpq n THR 74 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jpq s HIS 75 N -2.43 1.70 0.34 4.78 3.76 -1.26 -5.16 115.29 117.02 2jpq s HIS 75 Ca -0.29 -0.99 -0.03 0.00 -0.15 0.00 0.00 55.06 53.61 2jpq s HIS 75 Cb 0.07 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.68 2jpq s HIS 75 CO 0.48 -0.08 0.58 -1.17 -0.85 0.00 0.00 174.74 173.70 2jpq s LEU 76 N -3.37 3.98 0.81 0.89 2.96 -1.26 -5.07 118.68 117.62 2jpq s LEU 76 Ca 0.33 0.65 -0.11 0.00 -0.22 0.00 0.00 54.13 54.78 2jpq s LEU 76 Cb 0.07 -3.50 0.08 0.00 0.50 0.00 0.00 46.19 43.34 2jpq s LEU 76 CO 0.12 -0.29 1.12 -1.61 -1.32 0.00 0.00 176.35 174.37 2jpq s GLU 77 N -4.00 1.89 -0.38 1.98 0.41 -1.26 -4.95 118.70 112.39 2jpq s GLU 77 Ca 0.43 1.33 -0.29 0.00 -0.41 0.00 0.00 54.97 56.03 2jpq s GLU 77 Cb -0.10 -1.84 0.01 0.00 -1.78 0.00 0.00 34.13 30.42 2jpq s GLU 77 CO 0.34 -1.94 1.28 -1.01 -0.49 0.00 0.00 175.26 173.44 2jpq s HIS 78 N -2.74 2.66 -0.01 1.61 3.76 -1.26 -4.86 115.29 114.45 2jpq s HIS 78 Ca 0.64 0.80 0.11 0.00 -0.15 0.00 0.00 55.06 56.46 2jpq s HIS 78 Cb -0.20 -4.15 -0.12 0.00 1.11 0.00 0.00 32.58 29.23 2jpq s HIS 78 CO 0.55 -1.62 1.24 1.12 -0.85 0.00 0.00 174.74 175.18 2jpq h HIS 79 N 9.65 0.00 -3.87 1.40 2.07 -2.06 -3.47 115.15 118.86 2jpq h HIS 79 Ca -0.25 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.10 2jpq h HIS 79 Cb 1.09 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.99 2jpq h HIS 79 CO 0.93 0.80 -0.14 -1.01 -3.07 0.00 0.00 177.93 175.44 2jpq s HIS 80 N -2.80 0.73 -0.55 6.12 3.76 -1.26 -5.12 115.29 116.17 2jpq s HIS 80 Ca 0.01 -1.05 -0.25 0.00 -0.15 0.00 0.00 55.06 53.62 2jpq s HIS 80 Cb 0.09 0.08 0.04 0.00 1.11 0.00 0.00 32.58 33.89 2jpq s HIS 80 CO 0.80 -1.10 1.00 -1.58 -0.85 0.00 0.00 174.74 173.01 2jpq s HIS 81 N -3.39 2.76 -0.01 1.40 2.46 -1.26 -4.70 115.29 112.56 2jpq s HIS 81 Ca 0.27 0.13 0.01 0.00 0.47 0.00 0.00 55.06 55.94 2jpq s HIS 81 Cb -0.01 -4.17 0.01 0.00 -0.13 0.00 0.00 32.58 28.29 2jpq s HIS 81 CO 0.15 -1.38 0.71 1.58 -2.47 0.00 0.00 174.74 173.32 2jpq n HIS 82 N 7.67 0.00 -0.48 3.88 -0.00 -1.26 -5.25 115.22 119.77 2jpq n HIS 82 Ca 0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2jpq n HIS 82 Cb 0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2jpq n HIS 82 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92