#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 3.91 -0.70 2.12 0.04 -1.26 -4.95 135.00 134.17 2jpq s PRO 2 Ca 0.00 2.34 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 2jpq s PRO 2 Cb 0.00 -4.17 0.17 0.00 0.04 0.00 0.00 34.50 30.54 2jpq s PRO 2 CO 0.00 -1.20 0.69 0.96 0.04 0.00 0.00 177.00 177.49 2jpq s ILE 3 N 5.24 5.30 0.24 0.56 -4.36 -1.26 -4.93 121.20 121.99 2jpq s ILE 3 Ca 0.87 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 2jpq s ILE 3 Cb -0.38 -4.45 0.00 0.00 1.25 0.00 0.00 42.46 38.88 2jpq s ILE 3 CO 0.37 -1.02 0.00 0.41 0.24 0.00 0.00 174.94 174.94 2jpq n THR 4 N 4.74 -1.93 -1.66 8.37 -1.04 -1.26 -4.75 114.28 116.74 2jpq n THR 4 Ca 0.02 0.80 -0.43 0.00 -2.04 0.00 0.00 64.05 62.40 2jpq n THR 4 Cb 0.44 -1.20 -0.03 0.00 -1.82 0.00 0.00 70.33 67.72 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 -3.41 5.81 -0.92 8.00 0.01 -1.26 -4.88 113.70 117.05 2jpq s SER 5 Ca 0.00 2.10 -0.24 0.00 1.31 0.00 0.00 55.95 59.11 2jpq s SER 5 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2jpq s SER 5 CO 0.00 -1.65 1.77 -0.54 0.41 0.00 0.00 173.24 173.23 2jpq s LYS 6 N 5.68 2.90 0.32 12.44 1.02 -1.26 -4.97 119.74 135.86 2jpq s LYS 6 Ca 0.95 -0.49 -0.05 0.00 0.02 0.00 0.00 55.97 56.39 2jpq s LYS 6 Cb -0.35 -5.09 0.08 0.00 -0.52 0.00 0.00 37.83 31.94 2jpq s LYS 6 CO 0.37 -2.95 0.38 0.66 -0.92 0.00 0.00 175.35 172.89 2jpq n TYR 7 N 12.20 -3.78 -2.63 3.18 4.01 -1.26 -5.03 117.16 123.86 2jpq n TYR 7 Ca 0.36 -0.34 -0.38 0.00 -0.16 0.00 0.00 57.90 57.38 2jpq n TYR 7 Cb 0.49 -0.32 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.79 3.86 0.35 -0.72 -4.23 -1.26 -4.93 115.64 106.92 2jpq s THR 8 Ca 0.22 1.64 0.03 0.00 -1.18 0.00 0.00 61.69 62.40 2jpq s THR 8 Cb -0.01 -3.95 0.25 0.00 1.34 0.00 0.00 72.50 70.13 2jpq s THR 8 CO 0.16 0.21 2.00 -2.24 -0.54 0.00 0.00 174.62 174.22 2jpq h ASP 9 N 3.29 0.70 -0.61 3.99 2.03 -2.00 -2.20 116.42 121.62 2jpq h ASP 9 Ca -0.47 -0.03 -0.04 0.00 -0.73 0.00 0.00 57.03 55.76 2jpq h ASP 9 Cb 1.20 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 39.50 2jpq h ASP 9 CO 0.65 0.52 0.22 -0.33 -1.03 0.00 0.00 179.24 179.28 2jpq h GLU 10 N 0.81 0.93 0.13 4.15 5.08 -1.97 0.17 114.58 123.89 2jpq h GLU 10 Ca 0.22 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2jpq h GLU 10 Cb -0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2jpq h GLU 10 CO -0.04 0.81 -0.15 0.37 -1.00 0.00 0.00 179.01 179.00 2jpq h GLN 11 N 0.86 -0.30 -0.47 2.33 4.15 -1.79 0.15 115.11 120.05 2jpq h GLN 11 Ca 0.20 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.58 2jpq h GLN 11 Cb 0.24 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2jpq h GLN 11 CO -0.01 -0.20 0.06 0.28 -1.93 0.00 0.00 178.83 177.03 2jpq h VAL 12 N -0.32 1.25 -0.65 2.39 2.07 -1.45 -2.48 116.25 117.07 2jpq h VAL 12 Ca 0.01 -0.94 0.10 0.00 0.82 0.00 0.00 66.70 66.68 2jpq h VAL 12 Cb 0.31 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 2jpq h VAL 12 CO -0.05 0.33 0.28 -0.08 0.02 0.00 0.00 177.57 178.07 2jpq h GLU 13 N 0.65 0.47 -0.32 1.57 4.81 -0.21 0.40 114.58 121.95 2jpq h GLU 13 Ca 0.14 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2jpq h GLU 13 Cb 0.41 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2jpq h GLU 13 CO 0.01 0.31 -0.24 0.87 -0.73 0.00 0.00 179.01 179.24 2jpq h LYS 14 N 0.48 0.72 -0.31 1.92 6.56 -0.58 0.81 116.57 126.17 2jpq h LYS 14 Ca 0.33 -0.35 -0.07 0.00 -1.06 0.00 0.00 60.65 59.50 2jpq h LYS 14 Cb 0.39 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 2jpq h LYS 14 CO -0.30 0.96 -0.07 0.82 -2.06 0.00 0.00 179.45 178.80 2jpq h ILE 15 N 0.48 1.28 -0.67 1.86 2.04 -0.97 -2.38 117.51 119.15 2jpq h ILE 15 Ca 0.06 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.85 2jpq h ILE 15 Cb 0.79 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2jpq h ILE 15 CO 0.06 0.36 0.40 -0.07 0.00 0.00 0.00 178.15 178.90 2jpq h LEU 16 N 0.37 0.63 -0.62 1.44 3.38 -0.15 -0.61 115.31 119.75 2jpq h LEU 16 Ca 0.08 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2jpq h LEU 16 Cb 0.56 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2jpq h LEU 16 CO 0.03 0.43 0.34 0.00 0.09 0.00 0.00 178.44 179.33 2jpq h ALA 17 N 1.31 0.82 -0.14 1.53 0.00 -0.64 0.24 119.26 122.39 2jpq h ALA 17 Ca 0.28 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 2jpq h ALA 17 Cb 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jpq h ALA 17 CO -0.14 0.03 -0.65 0.93 0.00 0.00 0.00 179.25 179.42 2jpq h GLU 18 N 0.65 0.53 -0.28 0.00 5.08 -0.98 -0.18 114.58 119.39 2jpq h GLU 18 Ca 0.27 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2jpq h GLU 18 Cb 0.15 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2jpq h GLU 18 CO -0.16 1.00 0.08 0.28 -1.00 0.00 0.00 179.01 179.21 2jpq h VAL 19 N 0.38 1.20 -0.32 3.13 2.07 -0.61 -1.75 116.25 120.36 2jpq h VAL 19 Ca -0.02 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2jpq h VAL 19 Cb 1.22 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2jpq h VAL 19 CO 0.12 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.93 2jpq h ALA 20 N 0.91 1.40 -0.89 1.67 0.00 -0.48 -2.10 119.26 119.78 2jpq h ALA 20 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jpq h ALA 20 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2jpq h ALA 20 CO -0.00 0.42 0.50 1.25 0.00 0.00 0.00 179.25 181.42 2jpq h LEU 21 N 0.48 1.10 -0.14 0.00 6.46 -0.66 0.16 115.31 122.70 2jpq h LEU 21 Ca 0.10 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2jpq h LEU 21 Cb 0.31 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2jpq h LEU 21 CO 0.01 0.88 0.08 0.58 -0.62 0.00 0.00 178.44 179.37 2jpq h VAL 22 N 1.24 1.09 -0.30 1.05 2.07 -0.67 -0.81 116.25 119.93 2jpq h VAL 22 Ca 0.31 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2jpq h VAL 22 Cb 0.01 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2jpq h VAL 22 CO -0.05 0.09 -0.01 -0.07 0.02 0.00 0.00 177.57 177.54 2jpq h LEU 23 N 0.13 0.42 -0.11 2.57 3.38 -1.01 -2.57 115.31 118.12 2jpq h LEU 23 Ca 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jpq h LEU 23 Cb 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2jpq h LEU 23 CO -0.01 0.50 0.01 -0.08 0.09 0.00 0.00 178.44 178.95 2jpq h GLU 24 N 0.44 0.18 -0.81 1.13 4.22 -0.32 -0.25 114.58 119.17 2jpq h GLU 24 Ca 0.10 -0.05 0.08 0.00 0.08 0.00 0.00 59.36 59.56 2jpq h GLU 24 Cb 0.31 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2jpq h GLU 24 CO 0.01 0.42 0.53 0.87 -2.18 0.00 0.00 179.01 178.65 2jpq h LYS 25 N -0.07 0.78 -0.01 1.92 1.57 -0.81 -1.08 116.57 118.86 2jpq h LYS 25 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jpq h LYS 25 Cb 0.33 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2jpq h LYS 25 CO 0.00 0.52 -0.22 0.72 -0.57 0.00 0.00 179.45 179.90 2jpq n HIS 26 N -4.50 0.00 -3.70 -1.35 8.25 -1.00 -4.95 115.22 107.96 2jpq n HIS 26 Ca 0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.36 2jpq n HIS 26 Cb 0.28 -0.05 0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.10 -1.80 -1.91 -1.41 0.00 -0.24 -4.88 120.51 110.16 2jpq n ALA 27 Ca 0.13 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2jpq n ALA 27 Cb 0.40 -2.87 -0.03 0.00 0.00 0.00 0.00 19.45 16.96 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 -3.52 3.77 0.63 0.00 0.00 -0.40 -5.00 121.76 117.23 2jpq s ALA 28 Ca 0.20 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 2jpq s ALA 28 Cb -0.10 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 2jpq s ALA 28 CO 0.80 -0.79 1.03 -1.12 0.00 0.00 0.00 175.76 175.68 2jpq s SER 29 N 1.05 6.09 0.25 0.00 0.01 -1.26 -4.76 113.70 115.08 2jpq s SER 29 Ca 0.69 1.46 -0.06 0.00 1.31 0.00 0.00 55.95 59.35 2jpq s SER 29 Cb -0.44 -2.48 0.48 0.00 0.21 0.00 0.00 66.02 63.80 2jpq s SER 29 CO 0.33 -0.96 1.63 1.55 0.41 0.00 0.00 173.24 176.20 2jpq h PRO 30 N -0.36 0.10 -0.71 12.44 0.13 -1.99 0.19 132.00 141.80 2jpq h PRO 30 Ca -0.44 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2jpq h PRO 30 Cb 1.19 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2jpq h PRO 30 CO 0.61 0.07 0.31 0.93 -0.23 0.00 0.00 178.00 179.69 2jpq h GLU 31 N 0.10 1.05 0.00 0.86 3.07 -1.99 -1.87 114.58 115.80 2jpq h GLU 31 Ca 0.44 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 59.03 2jpq h GLU 31 Cb 0.79 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2jpq h GLU 31 CO -0.69 0.85 -0.43 1.25 -1.40 0.00 0.00 179.01 178.59 2jpq h LEU 32 N 1.01 0.00 -0.19 1.33 5.85 -1.37 0.17 115.31 122.11 2jpq h LEU 32 Ca 0.24 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2jpq h LEU 32 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2jpq h LEU 32 CO -0.02 0.43 0.06 0.74 -0.34 0.00 0.00 178.44 179.30 2jpq h THR 33 N 0.00 1.19 0.00 1.05 2.02 0.06 -1.61 112.91 115.62 2jpq h THR 33 Ca -0.00 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 2jpq h THR 33 Cb 0.79 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2jpq h THR 33 CO 0.06 0.19 -0.06 -0.07 0.37 0.00 0.00 175.52 176.00 2jpq h LEU 34 N 0.14 0.00 -0.23 2.58 4.07 -1.21 -2.49 115.31 118.17 2jpq h LEU 34 Ca 0.06 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.05 2jpq h LEU 34 Cb 0.23 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 2jpq h LEU 34 CO -0.00 0.06 0.06 -0.03 -1.08 0.00 0.00 178.44 177.45 2jpq h MET 35 N 0.00 0.16 0.32 1.13 4.05 -0.24 0.39 114.93 120.74 2jpq h MET 35 Ca -0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2jpq h MET 35 Cb 0.89 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2jpq h MET 35 CO 0.01 0.10 -0.15 0.82 0.23 0.00 0.00 176.91 177.92 2jpq h ILE 36 N 0.16 0.71 -0.48 1.77 1.08 -1.12 -1.77 117.51 117.87 2jpq h ILE 36 Ca 0.10 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 2jpq h ILE 36 Cb 0.08 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2jpq h ILE 36 CO -0.12 0.06 0.30 0.00 -0.69 0.00 0.00 178.15 177.71 2jpq h ALA 37 N 0.06 0.61 -0.41 1.87 0.00 -1.36 0.10 119.26 120.13 2jpq h ALA 37 Ca -0.04 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2jpq h ALA 37 Cb 0.42 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2jpq h ALA 37 CO 0.07 0.02 0.10 0.78 0.00 0.00 0.00 179.25 180.23 2jpq h GLY 38 N 0.61 0.50 1.66 0.00 0.00 -0.21 -1.34 103.07 104.30 2jpq h GLY 38 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2jpq h GLY 38 CO -0.06 -0.02 0.03 3.43 0.00 0.00 0.00 176.54 179.93 2jpq h ASN 39 N 0.24 0.40 0.36 0.19 2.35 -0.67 0.33 115.58 118.78 2jpq h ASN 39 Ca 0.20 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2jpq h ASN 39 Cb 0.22 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2jpq h ASN 39 CO -0.24 0.44 -0.22 0.40 -1.65 0.00 0.00 177.43 176.16 2jpq h ILE 40 N 0.42 0.55 -0.66 2.81 1.08 -0.21 0.69 117.51 122.19 2jpq h ILE 40 Ca 0.10 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.60 2jpq h ILE 40 Cb 0.23 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 2jpq h ILE 40 CO 0.00 0.00 0.41 0.00 -0.69 0.00 0.00 178.15 177.87 2jpq h ALA 41 N 0.06 0.86 -0.32 1.87 0.00 -0.76 -0.80 119.26 120.17 2jpq h ALA 41 Ca -0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jpq h ALA 41 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jpq h ALA 41 CO 0.04 0.16 0.17 1.15 0.00 0.00 0.00 179.25 180.78 2jpq h THR 42 N 0.80 1.01 -0.37 0.00 2.02 -0.77 0.70 112.91 116.29 2jpq h THR 42 Ca 0.26 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 2jpq h THR 42 Cb 0.02 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2jpq h THR 42 CO -0.11 0.06 0.10 -1.13 0.37 0.00 0.00 175.52 174.82 2jpq h ASN 43 N 0.35 0.49 -0.25 4.18 -0.73 -0.35 0.27 115.58 119.55 2jpq h ASN 43 Ca 0.13 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 2jpq h ASN 43 Cb 0.03 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2jpq h ASN 43 CO -0.08 0.48 0.07 0.58 -0.37 0.00 0.00 177.43 178.12 2jpq h VAL 44 N 0.53 1.20 0.00 2.57 2.07 -0.54 -0.75 116.25 121.33 2jpq h VAL 44 Ca 0.13 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2jpq h VAL 44 Cb 0.18 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2jpq h VAL 44 CO -0.01 0.21 -0.09 -0.07 0.02 0.00 0.00 177.57 177.63 2jpq h LEU 45 N 0.23 0.00 0.01 2.57 3.38 0.30 0.30 115.31 122.10 2jpq h LEU 45 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jpq h LEU 45 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jpq h LEU 45 CO -0.00 0.09 -0.00 0.78 0.09 0.00 0.00 178.44 179.40 2jpq h ASN 46 N 0.00 -0.01 0.00 -0.43 -0.26 -0.06 -3.44 115.58 111.38 2jpq h ASN 46 Ca -0.00 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 54.89 2jpq h ASN 46 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2jpq h ASN 46 CO 0.01 0.89 -0.01 0.00 -1.06 0.00 0.00 177.43 177.27 2jpq n GLN 47 N -4.66 2.11 -0.43 0.81 6.02 -0.33 -4.85 117.38 116.06 2jpq n GLN 47 Ca -0.09 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.99 2jpq n GLN 47 Cb 0.41 -0.16 0.25 0.00 1.02 0.00 0.00 30.24 31.76 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 -0.30 2.89 -4.07 -1.09 1.74 0.95 -5.01 116.66 111.78 2jpq n ARG 48 Ca 0.00 -2.80 -0.13 0.00 -0.77 0.00 0.00 57.85 54.15 2jpq n ARG 48 Cb 0.00 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.58 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 -2.75 0.00 0.09 1.55 0.11 -0.65 -4.87 120.40 113.87 2jpq s VAL 49 Ca 0.41 -1.57 -0.05 0.00 -2.93 0.00 0.00 61.98 57.84 2jpq s VAL 49 Cb 0.33 -2.53 -0.05 0.00 -1.53 0.00 0.00 36.38 32.60 2jpq s VAL 49 CO 0.09 0.00 0.32 0.00 -3.33 0.00 0.00 175.10 172.18 2jpq s ALA 50 N -3.37 3.84 0.09 1.54 0.00 -1.26 -4.98 121.76 117.63 2jpq s ALA 50 Ca 0.29 -0.60 -0.36 0.00 0.00 0.00 0.00 51.96 51.29 2jpq s ALA 50 Cb 0.00 -2.07 -0.16 0.00 0.00 0.00 0.00 23.12 20.89 2jpq s ALA 50 CO 0.17 0.69 1.56 0.00 0.00 0.00 0.00 175.76 178.17 2jpq h ALA 51 N 3.26 -1.10 0.00 0.00 0.00 -2.00 -0.35 119.26 119.07 2jpq h ALA 51 Ca -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2jpq h ALA 51 Cb 1.17 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2jpq h ALA 51 CO 0.71 -1.17 0.00 0.77 0.00 0.00 0.00 179.25 179.56 2jpq h SER 52 N -0.91 0.00 1.08 0.00 0.02 -2.03 -2.68 113.55 109.03 2jpq h SER 52 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2jpq h SER 52 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2jpq h SER 52 CO -0.16 0.00 -0.73 -0.61 -1.14 0.00 0.00 176.83 174.19 2jpq h GLN 53 N 0.00 0.00 -0.38 3.45 5.75 -1.82 -3.39 115.11 118.72 2jpq h GLN 53 Ca 0.00 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2jpq h GLN 53 Cb 0.45 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.92 2jpq h GLN 53 CO 0.00 0.00 -0.16 0.00 -2.65 0.00 0.00 178.83 176.02 2jpq h ARG 54 N 0.00 -0.09 -0.42 1.69 3.08 -0.72 0.27 114.38 118.20 2jpq h ARG 54 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2jpq h ARG 54 Cb 0.91 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 2jpq h ARG 54 CO 0.00 -0.06 0.24 -0.22 -1.07 0.00 0.00 179.97 178.86 2jpq h LYS 55 N -0.09 0.59 -0.27 0.04 1.63 -1.79 0.26 116.57 116.94 2jpq h LYS 55 Ca 0.19 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 2jpq h LYS 55 Cb 0.38 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2jpq h LYS 55 CO -0.44 0.46 -0.34 1.25 -3.45 0.00 0.00 179.45 176.93 2jpq h LEU 56 N 0.55 0.62 -0.27 5.20 6.46 -1.65 0.19 115.31 126.42 2jpq h LEU 56 Ca 0.15 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2jpq h LEU 56 Cb 0.04 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2jpq h LEU 56 CO -0.03 0.92 0.13 0.40 -0.62 0.00 0.00 178.44 179.24 2jpq h ILE 57 N 0.50 1.15 -0.54 4.05 1.08 -0.04 0.28 117.51 123.99 2jpq h ILE 57 Ca 0.05 -0.42 -0.09 0.00 -0.39 0.00 0.00 64.86 64.01 2jpq h ILE 57 Cb 0.84 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 2jpq h ILE 57 CO 0.07 0.15 -0.04 0.00 -0.69 0.00 0.00 178.15 177.64 2jpq h ALA 58 N 0.99 0.91 0.03 1.87 0.00 -0.81 -1.69 119.26 120.57 2jpq h ALA 58 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jpq h ALA 58 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jpq h ALA 58 CO -0.01 0.64 -0.02 1.49 0.00 0.00 0.00 179.25 181.35 2jpq h GLU 59 N 0.87 -0.04 -0.48 0.00 4.57 -0.64 -0.11 114.58 118.75 2jpq h GLU 59 Ca 0.15 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2jpq h GLU 59 Cb 0.56 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2jpq h GLU 59 CO 0.03 0.04 0.15 -0.22 -1.18 0.00 0.00 179.01 177.84 2jpq h LYS 60 N -0.12 0.71 0.09 1.92 3.64 -0.35 0.23 116.57 122.69 2jpq h LYS 60 Ca -0.00 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2jpq h LYS 60 Cb 0.10 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2jpq h LYS 60 CO 0.01 0.62 -0.04 0.35 -2.27 0.00 0.00 179.45 178.12 2jpq h PHE 61 N 0.70 -0.11 -0.83 1.91 3.57 -1.11 0.48 116.94 121.55 2jpq h PHE 61 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2jpq h PHE 61 Cb 0.21 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2jpq h PHE 61 CO 0.01 0.23 0.41 0.00 -2.23 0.00 0.00 178.31 176.73 2jpq h ALA 62 N 0.41 1.16 -0.38 2.41 0.00 -0.73 -1.92 119.26 120.21 2jpq h ALA 62 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2jpq h ALA 62 Cb 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2jpq h ALA 62 CO 0.02 0.65 -0.15 0.37 0.00 0.00 0.00 179.25 180.14 2jpq h GLN 63 N 1.18 0.68 -0.86 0.00 4.15 -0.51 -2.26 115.11 117.49 2jpq h GLN 63 Ca 0.29 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2jpq h GLN 63 Cb 0.10 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2jpq h GLN 63 CO -0.04 0.80 0.49 0.00 -1.93 0.00 0.00 178.83 178.15 2jpq h ALA 64 N 1.22 1.24 -0.17 3.38 0.00 -0.23 0.22 119.26 124.93 2jpq h ALA 64 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jpq h ALA 64 Cb 0.61 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jpq h ALA 64 CO 0.04 0.63 0.11 -0.07 0.00 0.00 0.00 179.25 179.96 2jpq h LEU 65 N 1.20 0.19 -0.73 0.00 4.07 -0.92 0.83 115.31 119.95 2jpq h LEU 65 Ca 0.31 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 58.12 2jpq h LEU 65 Cb -0.00 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 2jpq h LEU 65 CO -0.05 0.15 -0.63 0.24 -1.08 0.00 0.00 178.44 177.06 2jpq h MET 66 N 0.22 0.00 0.08 1.13 2.86 -0.96 -1.45 114.93 116.81 2jpq h MET 66 Ca 0.06 -0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.45 2jpq h MET 66 Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2jpq h MET 66 CO -0.01 0.64 -1.16 0.77 1.06 0.00 0.00 176.91 178.20 2jpq h SER 67 N 0.00 0.28 -0.51 1.22 0.02 -0.43 -3.16 113.55 110.96 2jpq h SER 67 Ca -0.01 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2jpq h SER 67 Cb 1.12 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2jpq h SER 67 CO 0.08 1.23 0.00 -1.20 -1.14 0.00 0.00 176.83 175.81 2jpq n SER 68 N -3.47 2.77 -4.56 3.07 7.64 0.27 -4.85 113.62 114.49 2jpq n SER 68 Ca -0.06 -2.01 -0.26 0.00 1.01 0.00 0.00 58.87 57.55 2jpq n SER 68 Cb 1.00 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.01 3.13 -0.83 -3.43 2.96 -0.55 -4.89 118.68 114.06 2jpq s LEU 69 Ca 0.34 -0.15 -0.25 0.00 -0.22 0.00 0.00 54.13 53.86 2jpq s LEU 69 Cb 0.18 -2.55 0.05 0.00 0.50 0.00 0.00 46.19 44.37 2jpq s LEU 69 CO 0.23 -2.98 1.29 -0.70 -1.32 0.00 0.00 176.35 172.87 2jpq s GLU 70 N 7.61 3.33 0.35 1.98 2.56 -1.26 -5.01 118.70 128.27 2jpq s GLU 70 Ca 0.78 -0.66 -0.26 0.00 0.00 0.00 0.00 54.97 54.83 2jpq s GLU 70 Cb -0.10 -4.60 -0.09 0.00 2.00 0.00 0.00 34.13 31.33 2jpq s GLU 70 CO 0.08 -2.12 1.04 0.95 -0.56 0.00 0.00 175.26 174.65 2jpq s THR 71 N 5.16 3.75 -0.40 -1.70 -4.23 -1.26 -4.93 115.64 112.03 2jpq s THR 71 Ca 0.37 1.46 -0.29 0.00 -1.18 0.00 0.00 61.69 62.05 2jpq s THR 71 Cb -0.06 -3.82 -0.09 0.00 1.34 0.00 0.00 72.50 69.88 2jpq s THR 71 CO 0.05 0.13 2.31 -0.81 -0.54 0.00 0.00 174.62 175.77 2jpq n PRO 72 N 0.37 1.29 -3.58 3.99 -0.04 -1.26 -4.94 135.00 130.83 2jpq n PRO 72 Ca 0.03 0.26 -0.38 0.00 -0.04 0.00 0.00 63.50 63.37 2jpq n PRO 72 Cb 0.48 -2.98 -0.10 0.00 -0.04 0.00 0.00 33.50 30.86 2jpq n PRO 72 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jpq s LYS 73 N 7.14 3.99 -1.34 0.54 1.02 -1.26 -5.00 119.74 124.83 2jpq s LYS 73 Ca 1.05 -0.26 -0.16 0.00 0.02 0.00 0.00 55.97 56.62 2jpq s LYS 73 Cb -0.49 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.20 2jpq s LYS 73 CO 0.37 -0.13 2.14 0.25 -0.92 0.00 0.00 175.35 177.06 2jpq n THR 74 N 4.86 3.23 0.92 2.17 -2.24 -1.26 -4.23 114.28 117.74 2jpq n THR 74 Ca -0.14 -2.87 0.10 0.00 -2.27 0.00 0.00 64.05 58.87 2jpq n THR 74 Cb 0.52 -2.54 -0.06 0.00 -2.10 0.00 0.00 70.33 66.15 2jpq n THR 74 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jpq n HIS 75 N 6.61 0.00 -2.52 4.78 -0.00 -1.26 -4.81 115.22 118.03 2jpq n HIS 75 Ca 0.51 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.83 2jpq n HIS 75 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.36 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 -2.64 3.20 -0.12 0.27 1.43 -1.26 -4.86 118.68 114.70 2jpq s LEU 76 Ca 0.12 -0.50 0.17 0.00 -1.03 0.00 0.00 54.13 52.90 2jpq s LEU 76 Cb 0.16 -2.56 0.66 0.00 0.03 0.00 0.00 46.19 44.48 2jpq s LEU 76 CO 0.67 -1.85 1.57 -0.62 0.23 0.00 0.00 176.35 176.35 2jpq n GLU 77 N 9.32 3.63 -0.98 1.70 1.02 -1.26 -4.59 120.64 129.48 2jpq n GLU 77 Ca 0.07 -2.82 -0.18 0.00 -0.02 0.00 0.00 57.16 54.21 2jpq n GLU 77 Cb 0.49 -1.85 -0.12 0.00 -0.02 0.00 0.00 31.44 29.95 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 0.81 0.64 0.11 -0.32 -0.00 -1.26 -2.26 115.22 112.94 2jpq n HIS 78 Ca 0.24 -1.79 0.00 0.00 0.46 0.00 0.00 57.72 56.63 2jpq n HIS 78 Cb 0.87 -1.72 0.00 0.00 -0.12 0.00 0.00 29.99 29.01 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 2.90 -2.11 0.14 1.57 8.25 -1.26 -4.95 115.22 119.75 2jpq n HIS 79 Ca 0.48 0.44 0.07 0.00 -0.26 0.00 0.00 57.72 58.45 2jpq n HIS 79 Cb 0.64 0.93 -0.11 0.00 1.12 0.00 0.00 29.99 32.58 2jpq n HIS 79 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jpq n HIS 80 N -3.16 0.00 -1.01 4.41 -0.00 -1.23 -4.56 115.22 109.66 2jpq n HIS 80 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2jpq n HIS 80 Cb 0.00 -0.26 -0.16 0.00 -0.00 0.00 0.00 29.99 29.57 2jpq n HIS 80 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpq n HIS 81 N -1.87 0.17 -3.17 1.57 -0.00 -0.96 -4.48 115.22 106.48 2jpq n HIS 81 Ca -0.02 -1.60 0.03 0.00 -0.00 0.00 0.00 57.72 56.13 2jpq n HIS 81 Cb 0.35 -1.65 -0.00 0.00 -0.00 0.00 0.00 29.99 28.68 2jpq n HIS 81 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jpq s HIS 82 N 1.10 -1.81 -2.30 1.57 2.46 -1.26 -4.90 115.29 110.14 2jpq s HIS 82 Ca 0.67 0.89 0.18 0.00 0.47 0.00 0.00 55.06 57.27 2jpq s HIS 82 Cb 0.31 0.30 0.15 0.00 -0.13 0.00 0.00 32.58 33.21 2jpq s HIS 82 CO -0.00 -1.11 1.08 0.72 -2.47 0.00 0.00 174.74 172.96