#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrx s PRO 2 N 0.00 3.79 -0.08 2.12 0.04 -1.26 -5.09 135.00 134.52 2jrx s PRO 2 Ca 0.00 0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.24 2jrx s PRO 2 Cb 0.00 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.72 2jrx s PRO 2 CO 0.00 0.46 0.04 -1.14 0.04 0.00 0.00 177.00 176.40 2jrx s GLN 3 N -2.31 0.26 -0.07 4.56 0.74 -1.26 -5.15 119.66 116.44 2jrx s GLN 3 Ca 0.39 0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.98 2jrx s GLN 3 Cb -0.13 -0.99 -0.02 0.00 1.10 0.00 0.00 33.01 32.97 2jrx s GLN 3 CO 0.20 -0.39 -0.13 0.96 -0.55 0.00 0.00 175.29 175.39 2jrx s ILE 4 N 2.06 3.18 -0.39 -2.34 -5.25 -1.26 -5.05 121.20 112.16 2jrx s ILE 4 Ca 0.04 -0.66 0.04 0.00 -0.99 0.00 0.00 60.65 59.08 2jrx s ILE 4 Cb -0.13 -2.28 0.16 0.00 2.95 0.00 0.00 42.46 43.16 2jrx s ILE 4 CO -0.05 0.57 0.41 -0.44 -1.79 0.00 0.00 174.94 173.64 2jrx s SER 5 N -0.45 0.95 -1.07 4.36 0.01 -1.26 -5.09 113.70 111.15 2jrx s SER 5 Ca 0.06 -1.82 -0.06 0.00 1.31 0.00 0.00 55.95 55.44 2jrx s SER 5 Cb -0.12 0.55 0.29 0.00 0.21 0.00 0.00 66.02 66.94 2jrx s SER 5 CO 0.02 -0.22 1.22 -1.14 0.41 0.00 0.00 173.24 173.53 2jrx n ARG 6 N 3.91 3.80 -1.04 12.44 0.63 -1.26 -4.66 116.66 130.47 2jrx n ARG 6 Ca 0.15 -4.51 -0.22 0.00 -0.92 0.00 0.00 57.85 52.35 2jrx n ARG 6 Cb 0.46 -2.52 0.12 0.00 0.45 0.00 0.00 32.46 30.98 2jrx n ARG 6 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jrx n TYR 7 N 2.08 2.51 -2.32 -0.14 4.01 -1.26 -4.91 117.16 117.13 2jrx n TYR 7 Ca 0.25 -1.92 -0.02 0.00 -0.16 0.00 0.00 57.90 56.05 2jrx n TYR 7 Cb 0.37 -0.96 -0.01 0.00 -0.31 0.00 0.00 39.34 38.42 2jrx n TYR 7 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jrx n SER 8 N -0.70 -3.87 0.26 7.72 2.88 -1.26 -4.57 113.62 114.08 2jrx n SER 8 Ca 0.49 0.99 0.11 0.00 -1.33 0.00 0.00 58.87 59.12 2jrx n SER 8 Cb 1.18 -4.04 0.70 0.00 -0.75 0.00 0.00 64.21 61.30 2jrx n SER 8 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2jrx h ASP 9 N 2.47 0.00 0.14 -3.46 3.04 -1.91 0.19 116.42 116.89 2jrx h ASP 9 Ca -0.18 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.53 2jrx h ASP 9 Cb 0.40 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.68 2jrx h ASP 9 CO 0.04 0.11 -0.29 -0.33 -2.04 0.00 0.00 179.24 176.73 2jrx h GLU 10 N 0.00 0.25 0.24 4.15 3.07 -1.99 -1.97 114.58 118.33 2jrx h GLU 10 Ca -0.00 -0.09 -0.34 0.00 -0.50 0.00 0.00 59.36 58.43 2jrx h GLU 10 Cb 0.26 -0.02 0.03 0.00 -0.84 0.00 0.00 28.75 28.18 2jrx h GLU 10 CO 0.01 0.53 -1.53 0.37 -1.40 0.00 0.00 179.01 176.99 2jrx h GLN 11 N 0.22 0.52 -0.34 2.33 5.75 -1.31 -1.70 115.11 120.58 2jrx h GLN 11 Ca 0.03 -0.88 0.06 0.00 -0.15 0.00 0.00 58.65 57.71 2jrx h GLN 11 Cb 0.64 0.33 -0.05 0.00 1.07 0.00 0.00 27.48 29.47 2jrx h GLN 11 CO 0.05 1.42 0.02 0.28 -2.65 0.00 0.00 178.83 177.95 2jrx h VAL 12 N 0.14 0.77 0.00 2.39 2.07 -1.02 0.28 116.25 120.89 2jrx h VAL 12 Ca -0.27 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 2jrx h VAL 12 Cb 2.16 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2jrx h VAL 12 CO 0.26 0.02 -0.55 -0.33 0.02 0.00 0.00 177.57 176.99 2jrx h GLU 13 N 0.13 0.00 0.11 1.57 5.08 -1.45 -2.38 114.58 117.64 2jrx h GLU 13 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2jrx h GLU 13 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2jrx h GLU 13 CO -0.26 0.55 -0.05 0.37 -1.00 0.00 0.00 179.01 178.62 2jrx h GLN 14 N 0.00 -0.14 -0.45 2.33 4.15 -0.46 0.21 115.11 120.75 2jrx h GLN 14 Ca -0.01 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2jrx h GLN 14 Cb 1.16 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 2jrx h GLN 14 CO 0.07 0.28 0.29 1.25 -1.93 0.00 0.00 178.83 178.79 2jrx h LEU 15 N -0.61 0.50 -0.62 -2.39 5.85 -0.51 0.11 115.31 117.63 2jrx h LEU 15 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2jrx h LEU 15 Cb 0.48 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2jrx h LEU 15 CO 0.02 0.36 0.34 0.25 -0.34 0.00 0.00 178.44 179.07 2jrx h LEU 16 N 0.59 0.78 -0.40 2.25 6.46 -1.47 -0.49 115.31 123.03 2jrx h LEU 16 Ca 0.17 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2jrx h LEU 16 Cb -0.06 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 2jrx h LEU 16 CO -0.04 0.65 0.24 0.00 -0.62 0.00 0.00 178.44 178.66 2jrx h ALA 17 N 1.16 0.51 -0.36 1.25 0.00 -0.35 0.44 119.26 121.91 2jrx h ALA 17 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jrx h ALA 17 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jrx h ALA 17 CO -0.03 0.01 0.21 0.93 0.00 0.00 0.00 179.25 180.37 2jrx h GLU 18 N 0.52 0.49 -0.37 0.00 5.08 -0.47 0.40 114.58 120.23 2jrx h GLU 18 Ca 0.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2jrx h GLU 18 Cb 0.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2jrx h GLU 18 CO -0.03 0.38 0.14 -0.07 -1.00 0.00 0.00 179.01 178.44 2jrx h LEU 19 N 0.47 0.52 -0.80 1.33 3.38 -0.85 -0.15 115.31 119.20 2jrx h LEU 19 Ca 0.13 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2jrx h LEU 19 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2jrx h LEU 19 CO -0.02 0.56 -0.13 0.25 0.09 0.00 0.00 178.44 179.19 2jrx h LEU 20 N 0.46 0.76 -0.39 1.67 5.85 -0.75 -2.35 115.31 120.55 2jrx h LEU 20 Ca 0.12 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2jrx h LEU 20 Cb 0.20 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2jrx h LEU 20 CO -0.01 0.90 0.23 -1.13 -0.34 0.00 0.00 178.44 178.10 2jrx h ASN 21 N 0.69 0.47 -0.93 1.25 -1.24 0.17 -0.47 115.58 115.51 2jrx h ASN 21 Ca 0.11 -0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.11 2jrx h ASN 21 Cb 0.61 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.49 2jrx h ASN 21 CO 0.04 0.38 0.60 0.58 -1.29 0.00 0.00 177.43 177.75 2jrx h VAL 22 N 0.51 1.15 -0.12 2.57 2.07 -0.81 0.21 116.25 121.82 2jrx h VAL 22 Ca 0.14 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jrx h VAL 22 Cb 0.00 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 2jrx h VAL 22 CO -0.03 0.21 0.08 0.25 0.02 0.00 0.00 177.57 178.10 2jrx h LEU 23 N 1.17 0.15 -1.43 2.57 6.46 -0.92 -2.02 115.31 121.29 2jrx h LEU 23 Ca 0.37 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 2jrx h LEU 23 Cb 0.01 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2jrx h LEU 23 CO -0.12 0.14 0.00 -0.33 -0.62 0.00 0.00 178.44 177.51 2jrx h GLU 24 N 0.14 0.00 0.00 1.25 4.39 -0.32 0.46 114.58 120.50 2jrx h GLU 24 Ca 0.04 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2jrx h GLU 24 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jrx h GLU 24 CO -0.01 0.00 -0.22 0.87 -1.16 0.00 0.00 179.01 178.49 2jrx h LYS 25 N 0.00 0.00 0.00 2.33 1.57 0.13 -3.33 116.57 117.27 2jrx h LYS 25 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2jrx h LYS 25 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 2jrx h LYS 25 CO 0.00 0.22 -1.98 0.72 -0.57 0.00 0.00 179.45 177.84 2jrx n HIS 26 N -3.27 0.00 -2.51 -1.35 8.25 -0.63 -5.09 115.22 110.63 2jrx n HIS 26 Ca 0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.43 2jrx n HIS 26 Cb 0.50 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 2jrx n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2jrx n LYS 27 N -3.09 -3.87 -4.36 -0.41 5.02 0.15 -5.08 118.16 106.53 2jrx n LYS 27 Ca -0.31 3.00 -0.21 0.00 -2.02 0.00 0.00 58.31 58.78 2jrx n LYS 27 Cb 0.82 -4.73 -0.11 0.00 -0.02 0.00 0.00 35.03 30.99 2jrx n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jrx s ALA 28 N -0.84 2.11 0.47 7.82 0.00 -1.26 -5.09 121.76 124.97 2jrx s ALA 28 Ca -0.19 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 49.94 2jrx s ALA 28 Cb 0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 2jrx s ALA 28 CO 0.71 0.18 0.92 -2.30 0.00 0.00 0.00 175.76 175.27 2jrx n PRO 29 N -0.09 1.14 -0.21 0.00 -0.02 -1.26 -4.74 135.00 129.82 2jrx n PRO 29 Ca -0.10 0.41 -0.03 0.00 -2.02 0.00 0.00 63.50 61.77 2jrx n PRO 29 Cb 0.59 -1.99 0.08 0.00 -0.02 0.00 0.00 33.50 32.15 2jrx n PRO 29 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2jrx h THR 30 N 1.18 0.96 -0.05 3.45 2.02 -1.99 0.13 112.91 118.61 2jrx h THR 30 Ca -0.45 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 2jrx h THR 30 Cb 1.35 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2jrx h THR 30 CO 0.54 0.11 -0.57 -2.24 0.37 0.00 0.00 175.52 173.73 2jrx h ASP 31 N 0.62 0.19 -0.31 4.18 2.03 -1.99 -1.53 116.42 119.60 2jrx h ASP 31 Ca 0.27 -0.10 -0.16 0.00 -0.73 0.00 0.00 57.03 56.30 2jrx h ASP 31 Cb 0.16 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 2jrx h ASP 31 CO -0.17 0.72 -0.43 0.25 -1.03 0.00 0.00 179.24 178.58 2jrx h LEU 32 N 0.13 0.94 -1.17 0.15 6.46 -1.75 -2.28 115.31 117.79 2jrx h LEU 32 Ca -0.00 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.28 2jrx h LEU 32 Cb 1.05 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 2jrx h LEU 32 CO 0.08 1.23 0.22 0.28 -0.62 0.00 0.00 178.44 179.64 2jrx h SER 33 N 0.70 0.74 -0.70 1.25 0.02 -0.42 0.31 113.55 115.46 2jrx h SER 33 Ca 0.05 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2jrx h SER 33 Cb 1.01 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2jrx h SER 33 CO 0.10 0.66 0.26 -0.07 -1.14 0.00 0.00 176.83 176.64 2jrx h LEU 34 N 0.80 0.99 -0.36 5.07 3.38 -1.12 -0.14 115.31 123.94 2jrx h LEU 34 Ca 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jrx h LEU 34 Cb 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2jrx h LEU 34 CO -0.02 0.90 0.11 -0.03 0.09 0.00 0.00 178.44 179.49 2jrx h MET 35 N 1.04 0.56 0.68 1.13 4.05 -0.68 0.26 114.93 121.99 2jrx h MET 35 Ca 0.24 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 2jrx h MET 35 Cb 0.24 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 30.96 2jrx h MET 35 CO -0.02 0.59 -0.33 0.28 0.23 0.00 0.00 176.91 177.66 2jrx h VAL 36 N 0.43 0.33 -0.67 -5.77 2.07 -0.66 0.48 116.25 112.46 2jrx h VAL 36 Ca 0.12 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2jrx h VAL 36 Cb 0.26 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2jrx h VAL 36 CO -0.00 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 2jrx h LEU 37 N -0.93 0.86 0.05 2.57 3.38 -1.04 0.77 115.31 120.98 2jrx h LEU 37 Ca -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jrx h LEU 37 Cb 0.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jrx h LEU 37 CO 0.15 0.73 -0.06 1.23 0.09 0.00 0.00 178.44 180.58 2jrx h GLY 38 N 0.92 -0.11 1.00 0.83 0.00 -0.38 0.24 103.07 105.57 2jrx h GLY 38 Ca 0.23 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2jrx h GLY 38 CO -0.03 -0.07 0.23 -0.57 0.00 0.00 0.00 176.54 176.10 2jrx h ASN 39 N -0.13 0.41 -0.03 0.19 -0.73 -0.72 0.66 115.58 115.23 2jrx h ASN 39 Ca 0.01 -0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.18 2jrx h ASN 39 Cb 0.13 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 2jrx h ASN 39 CO -0.02 0.30 -0.09 -0.03 -0.37 0.00 0.00 177.43 177.23 2jrx h MET 40 N 0.48 -0.13 -0.66 6.67 4.05 -0.55 0.50 114.93 125.29 2jrx h MET 40 Ca 0.13 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.49 2jrx h MET 40 Cb -0.05 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 2jrx h MET 40 CO -0.03 -0.09 0.14 0.28 0.23 0.00 0.00 176.91 177.45 2jrx h VAL 41 N -0.13 1.26 -0.05 -5.77 2.07 -0.40 0.04 116.25 113.27 2jrx h VAL 41 Ca 0.04 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.60 2jrx h VAL 41 Cb 0.19 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2jrx h VAL 41 CO -0.11 0.37 -0.05 0.74 0.02 0.00 0.00 177.57 178.54 2jrx h THR 42 N 0.99 0.84 -0.34 2.57 2.02 -0.49 -0.18 112.91 118.33 2jrx h THR 42 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 2jrx h THR 42 Cb 0.39 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2jrx h THR 42 CO 0.01 0.00 0.20 0.78 0.37 0.00 0.00 175.52 176.87 2jrx h ASN 43 N -0.07 0.41 0.20 4.18 2.35 -0.71 -1.02 115.58 120.92 2jrx h ASN 43 Ca 0.04 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2jrx h ASN 43 Cb 0.13 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2jrx h ASN 43 CO -0.10 0.36 -0.32 0.25 -1.65 0.00 0.00 177.43 175.97 2jrx h LEU 44 N 0.43 -0.90 -0.41 1.61 5.85 -0.64 -1.44 115.31 119.81 2jrx h LEU 44 Ca 0.12 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2jrx h LEU 44 Cb 0.03 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2jrx h LEU 44 CO -0.02 -0.43 0.13 0.40 -0.34 0.00 0.00 178.44 178.19 2jrx h ILE 45 N -0.59 1.21 0.00 4.05 2.04 -0.98 0.22 117.51 123.46 2jrx h ILE 45 Ca 0.01 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2jrx h ILE 45 Cb 0.59 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2jrx h ILE 45 CO -0.14 0.25 0.00 -3.20 0.00 0.00 0.00 178.15 175.06 2jrx n ASN 46 N -4.60 0.46 -0.03 1.72 5.15 -0.39 -1.76 115.26 115.81 2jrx n ASN 46 Ca -0.00 0.58 -0.03 0.00 -0.60 0.00 0.00 54.58 54.52 2jrx n ASN 46 Cb 0.17 -0.69 -0.04 0.00 -0.53 0.00 0.00 39.78 38.70 2jrx n ASN 46 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2jrx n THR 47 N -1.97 0.38 0.61 -0.44 -2.24 -0.56 -4.74 114.28 105.32 2jrx n THR 47 Ca 0.04 -0.20 0.10 0.00 -2.27 0.00 0.00 64.05 61.72 2jrx n THR 47 Cb 0.30 -0.81 0.11 0.00 -2.10 0.00 0.00 70.33 67.83 2jrx n THR 47 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jrx n SER 48 N -2.40 2.80 -4.22 3.42 7.64 0.74 -4.87 113.62 116.75 2jrx n SER 48 Ca -0.10 -1.85 -0.32 0.00 1.01 0.00 0.00 58.87 57.62 2jrx n SER 48 Cb 0.66 -0.07 -0.17 0.00 -1.01 0.00 0.00 64.21 63.61 2jrx n SER 48 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jrx s ILE 49 N -1.51 2.03 0.10 0.44 1.01 -0.72 -4.99 121.20 117.56 2jrx s ILE 49 Ca 0.26 -1.01 -0.36 0.00 0.00 0.00 0.00 60.65 59.54 2jrx s ILE 49 Cb 0.17 -1.75 -0.16 0.00 0.01 0.00 0.00 42.46 40.72 2jrx s ILE 49 CO 0.25 0.55 1.37 0.00 0.00 0.00 0.00 174.94 177.11 2jrx n ALA 50 N 3.49 -0.64 0.21 9.38 0.00 -1.26 -4.60 120.51 127.09 2jrx n ALA 50 Ca -0.19 0.51 0.18 0.00 0.00 0.00 0.00 53.44 53.93 2jrx n ALA 50 Cb 0.53 -2.11 0.80 0.00 0.00 0.00 0.00 19.45 18.66 2jrx n ALA 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jrx h PRO 51 N 4.69 0.00 -0.68 0.00 0.11 -1.93 0.97 132.00 135.17 2jrx h PRO 51 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2jrx h PRO 51 Cb 1.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 2jrx h PRO 51 CO 0.79 0.00 0.16 0.00 -0.21 0.00 0.00 178.00 178.74 2jrx h ALA 52 N 1.47 1.00 -0.01 -0.75 0.00 -2.02 -3.29 119.26 115.66 2jrx h ALA 52 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jrx h ALA 52 Cb 0.81 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jrx h ALA 52 CO -0.00 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 2jrx n GLN 53 N -4.24 0.49 -0.28 0.00 10.64 0.11 -4.65 117.38 119.45 2jrx n GLN 53 Ca 0.05 -0.75 0.03 0.00 -1.83 0.00 0.00 57.00 54.50 2jrx n GLN 53 Cb 0.26 -1.07 0.17 0.00 -0.86 0.00 0.00 30.24 28.74 2jrx n GLN 53 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 2jrx h ARG 54 N 1.03 0.72 0.08 2.61 0.11 -1.02 0.43 114.38 118.33 2jrx h ARG 54 Ca 0.00 -0.04 -0.26 0.00 0.10 0.00 0.00 59.98 59.78 2jrx h ARG 54 Cb 0.23 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 31.16 2jrx h ARG 54 CO 0.00 0.47 -1.12 0.37 0.10 0.00 0.00 179.97 179.79 2jrx h GLN 55 N 0.74 0.39 -0.09 0.08 4.15 -1.83 -2.50 115.11 116.06 2jrx h GLN 55 Ca 0.40 -0.53 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 2jrx h GLN 55 Cb 0.40 0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 2jrx h GLN 55 CO -0.26 1.20 0.04 0.00 -1.93 0.00 0.00 178.83 177.88 2jrx h ALA 56 N 0.59 0.11 -0.21 3.38 0.00 -1.67 0.47 119.26 121.93 2jrx h ALA 56 Ca -0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jrx h ALA 56 Cb 1.80 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2jrx h ALA 56 CO 0.19 -0.32 0.10 0.82 0.00 0.00 0.00 179.25 180.05 2jrx h ILE 57 N 0.01 1.00 -0.76 0.00 1.08 -1.00 -0.67 117.51 117.16 2jrx h ILE 57 Ca 0.03 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2jrx h ILE 57 Cb 0.14 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2jrx h ILE 57 CO -0.00 0.04 0.50 0.00 -0.69 0.00 0.00 178.15 178.00 2jrx h ALA 58 N 1.10 1.45 -0.06 1.87 0.00 -1.27 0.15 119.26 122.50 2jrx h ALA 58 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jrx h ALA 58 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2jrx h ALA 58 CO -0.06 0.51 -0.03 -0.97 0.00 0.00 0.00 179.25 178.70 2jrx h ASN 59 N 1.03 0.14 0.23 0.00 -1.24 -0.45 -2.54 115.58 112.75 2jrx h ASN 59 Ca 0.28 -0.42 -0.05 0.00 0.71 0.00 0.00 56.30 56.82 2jrx h ASN 59 Cb -0.11 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2jrx h ASN 59 CO -0.06 0.53 -0.24 0.77 -1.29 0.00 0.00 177.43 177.14 2jrx h SER 60 N -0.25 0.02 -0.29 1.15 4.64 -0.80 -2.04 113.55 115.98 2jrx h SER 60 Ca 0.01 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2jrx h SER 60 Cb 0.48 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2jrx h SER 60 CO 0.01 0.26 0.13 0.15 -0.87 0.00 0.00 176.83 176.50 2jrx h PHE 61 N 0.02 0.43 -0.65 4.77 3.57 -0.59 0.47 116.94 124.96 2jrx h PHE 61 Ca 0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2jrx h PHE 61 Cb 0.44 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2jrx h PHE 61 CO 0.00 0.41 0.25 0.00 -2.23 0.00 0.00 178.31 176.74 2jrx h ALA 62 N 0.97 0.85 -0.75 2.41 0.00 -1.07 0.16 119.26 121.83 2jrx h ALA 62 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jrx h ALA 62 Cb 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2jrx h ALA 62 CO -0.01 0.47 0.29 0.00 0.00 0.00 0.00 179.25 180.01 2jrx h ARG 63 N 0.92 1.13 -0.39 0.00 2.47 -1.13 -2.08 114.38 115.30 2jrx h ARG 63 Ca 0.22 -0.21 -0.13 0.00 -1.26 0.00 0.00 59.98 58.60 2jrx h ARG 63 Cb 0.22 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2jrx h ARG 63 CO -0.02 0.92 -0.28 0.00 0.56 0.00 0.00 179.97 181.16 2jrx h ALA 64 N 1.15 0.77 0.52 0.04 0.00 -0.63 -2.48 119.26 118.64 2jrx h ALA 64 Ca 0.25 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jrx h ALA 64 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jrx h ALA 64 CO -0.02 0.65 -0.37 1.25 0.00 0.00 0.00 179.25 180.77 2jrx h LEU 65 N 0.70 -0.95 -1.37 0.00 5.85 -0.51 0.64 115.31 119.68 2jrx h LEU 65 Ca 0.08 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2jrx h LEU 65 Cb 0.83 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2jrx h LEU 65 CO 0.07 -0.55 0.35 -0.61 -0.34 0.00 0.00 178.44 177.36 2jrx h GLN 66 N -0.86 0.77 0.00 1.25 5.75 -1.44 -0.45 115.11 120.14 2jrx h GLN 66 Ca -0.06 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2jrx h GLN 66 Cb 0.72 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2jrx h GLN 66 CO 0.03 0.54 0.00 0.45 -2.65 0.00 0.00 178.83 177.20 2jrx n SER 67 N -4.42 0.36 0.01 -0.69 2.88 -0.93 -2.73 113.62 108.10 2jrx n SER 67 Ca 0.05 0.55 -0.08 0.00 -1.33 0.00 0.00 58.87 58.07 2jrx n SER 67 Cb 0.07 -0.64 -0.13 0.00 -0.75 0.00 0.00 64.21 62.76 2jrx n SER 67 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jrx h SER 68 N 0.00 0.00 -2.02 -3.46 0.02 0.81 -3.39 113.55 105.51 2jrx h SER 68 Ca 0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 2jrx h SER 68 Cb 0.52 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.90 2jrx h SER 68 CO 0.00 0.98 1.39 -0.63 -1.14 0.00 0.00 176.83 177.43 2jrx s ILE 69 N -2.65 4.85 -0.12 3.27 1.01 -0.95 -4.71 121.20 121.90 2jrx s ILE 69 Ca -0.03 -2.36 0.16 0.00 0.00 0.00 0.00 60.65 58.43 2jrx s ILE 69 Cb 0.09 -4.93 0.39 0.00 0.01 0.00 0.00 42.46 38.01 2jrx s ILE 69 CO 0.82 -1.66 1.18 -0.46 0.00 0.00 0.00 174.94 174.82 2jrx n ASN 70 N 6.19 1.44 0.08 3.58 0.23 -1.26 -4.71 115.26 120.80 2jrx n ASN 70 Ca 0.36 -3.09 0.12 0.00 -0.53 0.00 0.00 54.58 51.44 2jrx n ASN 70 Cb 0.44 -0.43 0.46 0.00 -2.08 0.00 0.00 39.78 38.17 2jrx n ASN 70 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jrx n GLU 71 N -0.55 0.15 -0.88 -3.83 1.02 -1.26 -4.80 120.64 110.48 2jrx n GLU 71 Ca 0.13 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.36 2jrx n GLU 71 Cb 0.84 -1.72 0.12 0.00 -0.02 0.00 0.00 31.44 30.66 2jrx n GLU 71 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jrx n ASP 72 N -1.99 -0.58 -4.14 1.62 2.03 -1.26 -5.09 116.55 107.13 2jrx n ASP 72 Ca 0.04 -1.12 -0.12 0.00 0.52 0.00 0.00 54.79 54.12 2jrx n ASP 72 Cb 0.31 -0.57 -0.11 0.00 -0.72 0.00 0.00 41.12 40.03 2jrx n ASP 72 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2jrx s LYS 73 N -4.54 0.76 0.18 -0.67 -2.85 -1.26 -5.16 119.74 106.19 2jrx s LYS 73 Ca 0.41 -1.15 -0.03 0.00 -1.00 0.00 0.00 55.97 54.20 2jrx s LYS 73 Cb -0.02 -0.29 0.04 0.00 -2.06 0.00 0.00 37.83 35.50 2jrx s LYS 73 CO 0.30 0.02 0.24 0.00 0.10 0.00 0.00 175.35 176.01 2jrx n ALA 74 N 0.46 -0.26 1.01 0.59 0.00 -1.26 -4.93 120.51 116.13 2jrx n ALA 74 Ca -0.16 -0.33 0.01 0.00 0.00 0.00 0.00 53.44 52.97 2jrx n ALA 74 Cb 0.59 -0.01 0.06 0.00 0.00 0.00 0.00 19.45 20.09 2jrx n ALA 74 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2jrx n HIS 75 N -2.28 0.29 -3.37 0.00 -0.00 -1.26 -4.38 115.22 104.23 2jrx n HIS 75 Ca 0.03 -0.11 -0.12 0.00 0.46 0.00 0.00 57.72 57.98 2jrx n HIS 75 Cb 0.11 -0.11 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 2jrx n HIS 75 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2jrx s LEU 76 N -0.66 -0.52 0.88 0.27 2.96 -1.26 -5.16 118.68 115.18 2jrx s LEU 76 Ca 0.09 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 2jrx s LEU 76 Cb 0.06 0.91 0.13 0.00 0.50 0.00 0.00 46.19 47.79 2jrx s LEU 76 CO 0.04 -0.33 1.23 -1.83 -1.32 0.00 0.00 176.35 174.13 2jrx s GLU 77 N 2.48 1.40 -0.06 1.98 4.04 -1.26 -5.09 118.70 122.19 2jrx s GLU 77 Ca 0.11 -0.06 -0.00 0.00 0.04 0.00 0.00 54.97 55.05 2jrx s GLU 77 Cb -0.15 -1.90 0.03 0.00 0.02 0.00 0.00 34.13 32.13 2jrx s GLU 77 CO -0.21 -1.96 -0.02 -3.38 -1.84 0.00 0.00 175.26 167.85 2jrx s HIS 78 N -3.66 0.73 -2.08 4.83 -3.43 -1.26 -5.01 115.29 105.41 2jrx s HIS 78 Ca 0.66 -0.21 0.22 0.00 -0.80 0.00 0.00 55.06 54.94 2jrx s HIS 78 Cb -0.09 -0.75 0.59 0.00 -1.43 0.00 0.00 32.58 30.91 2jrx s HIS 78 CO 0.51 -0.27 1.50 -2.39 -2.00 0.00 0.00 174.74 172.09 2jrx n HIS 79 N 4.62 0.86 -4.31 0.38 1.44 -1.26 -4.86 115.22 112.09 2jrx n HIS 79 Ca -0.16 -0.43 -0.19 0.00 -2.01 0.00 0.00 57.72 54.93 2jrx n HIS 79 Cb 0.50 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.48 2jrx n HIS 79 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jrx s HIS 80 N -1.14 1.17 -0.32 -1.40 3.76 -1.26 -5.11 115.29 111.00 2jrx s HIS 80 Ca 0.46 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 55.02 2jrx s HIS 80 Cb 0.24 -0.69 0.10 0.00 1.11 0.00 0.00 32.58 33.34 2jrx s HIS 80 CO 0.32 0.03 0.07 -1.58 -0.85 0.00 0.00 174.74 172.73 2jrx s HIS 81 N -0.90 2.61 -0.07 1.40 2.46 -1.26 -5.12 115.29 114.41 2jrx s HIS 81 Ca 0.01 -2.26 -0.15 0.00 0.47 0.00 0.00 55.06 53.12 2jrx s HIS 81 Cb -0.08 -2.21 -0.05 0.00 -0.13 0.00 0.00 32.58 30.11 2jrx s HIS 81 CO 0.01 -0.90 0.38 -1.58 -2.47 0.00 0.00 174.74 170.18 2jrx s HIS 82 N 1.31 3.62 -2.54 3.88 2.46 -1.26 -5.31 115.29 117.44 2jrx s HIS 82 Ca 0.09 0.85 0.28 0.00 0.47 0.00 0.00 55.06 56.75 2jrx s HIS 82 Cb -0.18 -2.33 0.97 0.00 -0.13 0.00 0.00 32.58 30.91 2jrx s HIS 82 CO -0.17 0.46 1.70 0.72 -2.47 0.00 0.00 174.74 174.99