#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6r n ARG 22 N 0.00 -5.13 0.00 1.20 1.74 -1.26 -4.57 116.66 108.64 1r6r n ARG 22 Ca 0.00 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1r6r n ARG 22 Cb 0.00 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 25.96 1r6r n ARG 22 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1r6r n VAL 23 N -4.54 0.00 0.27 1.55 3.14 -1.26 0.25 118.33 117.75 1r6r n VAL 23 Ca 0.01 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.36 1r6r n VAL 23 Cb 0.54 0.00 0.10 0.00 -1.06 0.00 0.00 33.84 33.42 1r6r n VAL 23 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1r6r n SER 24 N -0.12 2.98 -0.06 6.55 7.64 -1.26 -3.79 113.62 125.55 1r6r n SER 24 Ca 0.00 -2.45 -0.07 0.00 1.01 0.00 0.00 58.87 57.36 1r6r n SER 24 Cb 0.00 -0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.51 1r6r n SER 24 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1r6r n THR 25 N 0.07 0.86 1.01 0.44 -1.04 -1.26 -4.42 114.28 109.94 1r6r n THR 25 Ca 0.16 -0.52 0.14 0.00 -2.04 0.00 0.00 64.05 61.79 1r6r n THR 25 Cb 0.75 -0.69 0.61 0.00 -1.82 0.00 0.00 70.33 69.19 1r6r n THR 25 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1r6r n VAL 26 N -2.50 0.00 -0.22 12.58 3.14 -1.25 -3.66 118.33 126.43 1r6r n VAL 26 Ca -0.21 -0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.23 1r6r n VAL 26 Cb 0.90 -0.48 0.31 0.00 -1.06 0.00 0.00 33.84 33.51 1r6r n VAL 26 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1r6r h GLN 27 N 0.00 0.82 -0.28 1.45 1.08 -1.77 -2.45 115.11 113.96 1r6r h GLN 27 Ca 0.00 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1r6r h GLN 27 Cb 0.50 -0.19 -0.07 0.00 -0.05 0.00 0.00 27.48 27.67 1r6r h GLN 27 CO 0.00 0.55 -0.23 -0.56 -0.95 0.00 0.00 178.83 177.64 1r6r h GLN 28 N 0.85 -0.20 -0.03 1.46 -0.00 -1.87 -1.39 115.11 113.92 1r6r h GLN 28 Ca 0.34 0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.84 1r6r h GLN 28 Cb 0.24 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.75 1r6r h GLN 28 CO -0.12 -0.14 -0.72 1.37 -0.00 0.00 0.00 178.83 179.22 1r6r h LEU 29 N -0.21 0.22 -2.02 0.06 8.10 -1.79 -1.24 115.31 118.42 1r6r h LEU 29 Ca 0.15 -0.15 0.08 0.00 0.11 0.00 0.00 57.88 58.08 1r6r h LEU 29 Cb 0.44 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1r6r h LEU 29 CO -0.41 0.87 0.21 0.74 -4.11 0.00 0.00 178.44 175.74 1r6r h THR 30 N 0.12 0.81 0.00 0.15 2.02 -0.85 0.31 112.91 115.47 1r6r h THR 30 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1r6r h THR 30 Cb 1.28 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1r6r h THR 30 CO 0.11 0.00 -1.99 2.29 0.37 0.00 0.00 175.52 176.30 1r6r n LYS 31 N -4.38 0.65 0.00 6.66 2.85 -0.61 -3.75 118.16 119.57 1r6r n LYS 31 Ca 0.04 -0.18 0.12 0.00 -1.05 0.00 0.00 58.31 57.24 1r6r n LYS 31 Cb 0.38 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.47 1r6r n LYS 31 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1r6r n ARG 32 N -2.26 0.22 -0.00 -1.58 0.63 -0.48 -4.05 116.66 109.13 1r6r n ARG 32 Ca -0.05 -0.14 0.01 0.00 -0.92 0.00 0.00 57.85 56.74 1r6r n ARG 32 Cb 0.58 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 32.01 1r6r n ARG 32 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 1r6r n PHE 33 N -1.26 0.01 0.23 -0.14 -1.74 0.99 -4.64 117.46 110.91 1r6r n PHE 33 Ca 0.07 -0.08 0.08 0.00 -0.56 0.00 0.00 57.45 56.96 1r6r n PHE 33 Cb 0.34 -0.01 0.62 0.00 1.52 0.00 0.00 39.48 41.96 1r6r n PHE 33 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 1r6r h SER 34 N 0.37 0.04 0.19 5.98 0.02 -1.70 0.10 113.55 118.55 1r6r h SER 34 Ca 0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1r6r h SER 34 Cb 0.15 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1r6r h SER 34 CO 0.00 0.03 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.55 1r6r h LEU 35 N 0.05 0.00 0.00 5.07 3.38 -1.85 -3.40 115.31 118.56 1r6r h LEU 35 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r6r h LEU 35 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1r6r h LEU 35 CO -0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1r6r n GLY 36 N -1.02 0.60 5.29 0.83 0.00 0.02 -4.74 105.19 106.18 1r6r n GLY 36 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1r6r n GLY 36 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1r6r n MET 37 N 0.00 0.00 0.08 1.61 0.00 -1.22 -3.29 117.12 114.30 1r6r n MET 37 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.70 57.90 1r6r n MET 37 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 33.22 33.86 1r6r n MET 37 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1r6r h LEU 38 N 0.00 0.00 0.00 -0.89 8.10 -1.85 -2.73 115.31 117.94 1r6r h LEU 38 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 1r6r h LEU 38 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1r6r h LEU 38 CO 0.00 0.00 -1.25 1.67 -4.11 0.00 0.00 178.44 174.75 1r6r n GLN 39 N -3.39 0.36 0.00 0.17 7.27 -1.21 -5.04 117.38 115.55 1r6r n GLN 39 Ca 0.09 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1r6r n GLN 39 Cb 0.82 -1.09 0.00 0.00 2.41 0.00 0.00 30.24 32.38 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r6r n GLY 40 N 3.25 0.68 1.41 1.69 0.00 -1.03 -5.06 105.19 106.13 1r6r n GLY 40 Ca -0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.13 1r6r n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1r6r n ARG 41 N 0.00 -2.89 -0.02 1.61 3.00 -1.26 -4.67 116.66 112.43 1r6r n ARG 41 Ca 0.00 1.99 -0.01 0.00 -0.00 0.00 0.00 57.85 59.83 1r6r n ARG 41 Cb 0.00 -3.51 -0.00 0.00 0.00 0.00 0.00 32.46 28.95 1r6r n ARG 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1r6r h GLY 42 N -1.33 0.00 0.09 5.14 0.00 -2.01 -3.44 103.07 101.53 1r6r h GLY 42 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 1r6r h GLY 42 CO 0.02 0.00 -1.09 -0.56 0.00 0.00 0.00 176.54 174.91 1r6r h PRO 43 N -0.30 0.04 -0.78 4.80 0.13 -2.01 -3.48 132.00 130.41 1r6r h PRO 43 Ca 0.00 -0.07 -0.23 0.00 -0.87 0.00 0.00 66.00 64.83 1r6r h PRO 43 Cb 0.15 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.21 1r6r h PRO 43 CO 0.00 1.03 -0.21 -0.11 -0.23 0.00 0.00 178.00 178.48 1r6r n LEU 44 N -4.36 -0.54 0.04 1.56 0.00 -1.26 -4.78 117.00 107.67 1r6r n LEU 44 Ca -0.27 0.28 -0.05 0.00 0.00 0.00 0.00 56.01 55.97 1r6r n LEU 44 Cb 0.69 -2.34 -0.09 0.00 0.00 0.00 0.00 43.42 41.67 1r6r n LEU 44 CO 0.25 -0.87 -0.08 0.07 0.00 0.00 0.00 177.39 176.76 1r6r h LYS 45 N 0.00 0.00 -0.77 1.96 2.10 -1.93 -3.36 116.57 114.57 1r6r h LYS 45 Ca -0.23 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.70 1r6r h LYS 45 Cb 1.02 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.21 1r6r h LYS 45 CO 0.34 0.63 0.25 -0.11 -2.00 0.00 0.00 179.45 178.56 1r6r n LEU 46 N -3.15 0.12 0.00 7.07 -0.00 -1.26 0.77 117.00 120.55 1r6r n LEU 46 Ca -0.06 1.28 -0.17 0.00 -0.00 0.00 0.00 56.01 57.06 1r6r n LEU 46 Cb 0.92 -0.56 -0.13 0.00 -0.00 0.00 0.00 43.42 43.65 1r6r n LEU 46 CO 0.45 -1.38 0.22 0.15 -0.00 0.00 0.00 177.39 176.82 1r6r h PHE 47 N 0.00 0.36 0.38 1.96 3.57 -1.98 -2.58 116.94 118.64 1r6r h PHE 47 Ca 0.58 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1r6r h PHE 47 Cb 1.41 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1r6r h PHE 47 CO -0.16 1.14 -0.20 1.98 -2.23 0.00 0.00 178.31 178.84 1r6r h MET 48 N -0.52 -0.52 -0.56 1.11 4.05 0.07 -0.55 114.93 118.00 1r6r h MET 48 Ca -0.08 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1r6r h MET 48 Cb 1.33 0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 32.19 1r6r h MET 48 CO 0.09 -0.35 0.29 0.00 0.23 0.00 0.00 176.91 177.17 1r6r h ALA 49 N 0.07 0.73 0.85 0.39 0.00 0.23 0.48 119.26 122.01 1r6r h ALA 49 Ca -0.05 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1r6r h ALA 49 Cb 0.43 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1r6r h ALA 49 CO 0.07 -0.06 -0.41 1.25 0.00 0.00 0.00 179.25 180.10 1r6r h LEU 50 N 0.55 -0.96 -1.31 0.00 5.85 -1.23 -0.08 115.31 118.11 1r6r h LEU 50 Ca 0.25 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1r6r h LEU 50 Cb 0.17 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1r6r h LEU 50 CO -0.18 -0.63 0.34 0.58 -0.34 0.00 0.00 178.44 178.22 1r6r h VAL 51 N -1.26 1.18 0.04 1.05 2.07 -1.03 -2.50 116.25 115.79 1r6r h VAL 51 Ca -0.12 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1r6r h VAL 51 Cb 0.87 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1r6r h VAL 51 CO 0.19 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.95 1r6r h ALA 52 N 1.55 -0.05 -0.11 1.67 0.00 0.06 0.52 119.26 122.90 1r6r h ALA 52 Ca 0.21 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1r6r h ALA 52 Cb -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1r6r h ALA 52 CO -0.04 -0.48 -0.46 0.35 0.00 0.00 0.00 179.25 178.62 1r6r h PHE 53 N -0.15 -1.34 -0.70 0.00 3.57 -0.64 0.45 116.94 118.13 1r6r h PHE 53 Ca -0.01 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1r6r h PHE 53 Cb 0.14 0.60 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1r6r h PHE 53 CO -0.04 -0.51 0.46 -0.07 -2.23 0.00 0.00 178.31 175.92 1r6r h LEU 54 N -0.54 0.74 0.00 0.59 -0.00 -1.34 0.22 115.31 114.98 1r6r h LEU 54 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1r6r h LEU 54 Cb 0.65 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1r6r h LEU 54 CO -0.40 0.51 0.00 -1.14 -0.00 0.00 0.00 178.44 177.41 1r6r n ARG 55 N -4.45 0.20 -0.01 1.13 0.00 0.18 0.15 116.66 113.86 1r6r n ARG 55 Ca 0.08 0.14 0.09 0.00 -0.00 0.00 0.00 57.85 58.16 1r6r n ARG 55 Cb 0.11 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.93 1r6r n ARG 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1r6r n PHE 56 N -1.32 0.00 -0.08 -0.14 3.01 0.12 -4.37 117.46 114.68 1r6r n PHE 56 Ca 0.07 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.39 1r6r n PHE 56 Cb 0.15 -0.40 -0.07 0.00 -0.01 0.00 0.00 39.48 39.15 1r6r n PHE 56 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1r6r n LEU 57 N -2.10 2.34 0.00 4.37 4.77 -0.87 -4.89 117.00 120.62 1r6r n LEU 57 Ca -0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1r6r n LEU 57 Cb 0.46 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1r6r n LEU 57 CO 0.36 0.63 -0.05 0.41 -1.33 0.00 0.00 177.39 177.41 1r6r n THR 58 N -3.28 0.00 -3.47 -5.08 -1.04 -0.56 -5.06 114.28 95.79 1r6r n THR 58 Ca -0.31 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.42 1r6r n THR 58 Cb 0.79 0.58 0.05 0.00 -1.82 0.00 0.00 70.33 69.93 1r6r n THR 58 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1r6r n ILE 59 N -0.24 -7.41 -2.80 12.58 -0.00 0.38 -4.93 119.36 116.94 1r6r n ILE 59 Ca 0.00 -0.99 -0.38 0.00 -0.00 0.00 0.00 62.75 61.39 1r6r n ILE 59 Cb 0.00 -5.34 0.00 0.00 -0.00 0.00 0.00 39.64 34.30 1r6r n ILE 59 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1r6r n PRO 60 N -3.52 4.69 -2.10 0.38 -0.04 -1.26 -4.95 135.00 128.21 1r6r n PRO 60 Ca -0.08 -4.69 -0.41 0.00 -0.04 0.00 0.00 63.50 58.27 1r6r n PRO 60 Cb 0.60 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 1r6r n PRO 60 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1r6r s PRO 61 N -3.82 3.15 1.18 0.54 0.04 -1.26 -4.97 135.00 129.85 1r6r s PRO 61 Ca 0.40 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 1r6r s PRO 61 Cb 0.18 -4.22 0.24 0.00 0.04 0.00 0.00 34.50 30.74 1r6r s PRO 61 CO -0.09 -2.09 0.69 -2.37 0.04 0.00 0.00 177.00 173.18 1r6r n THR 62 N 7.26 0.00 -0.22 1.26 5.66 -1.26 -4.77 114.28 122.21 1r6r n THR 62 Ca 0.20 -0.43 0.02 0.00 -3.05 0.00 0.00 64.05 60.80 1r6r n THR 62 Cb 0.49 -0.87 0.12 0.00 -1.55 0.00 0.00 70.33 68.52 1r6r n THR 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r6r h ALA 63 N -2.55 0.71 -0.47 1.79 0.00 -0.50 -1.92 119.26 116.31 1r6r h ALA 63 Ca -0.60 0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1r6r h ALA 63 Cb 1.35 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 1r6r h ALA 63 CO 0.46 -0.38 0.05 0.78 0.00 0.00 0.00 179.25 180.16 1r6r h GLY 64 N 0.16 0.54 -0.16 0.00 0.00 -1.80 -0.34 103.07 101.46 1r6r h GLY 64 Ca 0.35 0.01 0.27 0.00 0.00 0.00 0.00 47.33 47.96 1r6r h GLY 64 CO -0.53 -0.09 0.66 -2.22 0.00 0.00 0.00 176.54 174.35 1r6r h ILE 65 N 0.18 0.52 0.00 2.60 1.08 -1.65 0.71 117.51 120.94 1r6r h ILE 65 Ca 0.24 -0.15 -0.08 0.00 -0.39 0.00 0.00 64.86 64.48 1r6r h ILE 65 Cb 0.33 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 1r6r h ILE 65 CO -0.35 0.08 -0.46 -0.07 -0.69 0.00 0.00 178.15 176.66 1r6r h LEU 66 N 0.42 0.00 -1.72 1.44 -0.00 -1.30 -1.53 115.31 112.63 1r6r h LEU 66 Ca 0.61 -0.67 0.07 0.00 -0.00 0.00 0.00 57.88 57.89 1r6r h LEU 66 Cb 1.47 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.11 1r6r h LEU 66 CO -0.33 1.10 0.31 0.11 -0.00 0.00 0.00 178.44 179.63 1r6r h LYS 67 N -1.00 0.32 0.00 1.13 1.79 -0.56 -0.33 116.57 117.92 1r6r h LYS 67 Ca -0.12 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.11 1r6r h LYS 67 Cb 0.97 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.51 1r6r h LYS 67 CO -0.07 0.21 -1.18 0.07 -1.08 0.00 0.00 179.45 177.40 1r6r h ARG 68 N 0.33 0.00 -1.04 3.15 0.11 0.29 -3.32 114.38 113.91 1r6r h ARG 68 Ca 0.21 0.00 0.26 0.00 0.10 0.00 0.00 59.98 60.55 1r6r h ARG 68 Cb 0.39 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.37 1r6r h ARG 68 CO -0.05 0.78 0.66 2.35 0.10 0.00 0.00 179.97 183.81 1r6r h TRP 69 N 0.00 0.73 -1.11 4.08 -0.00 0.04 -1.23 115.95 118.46 1r6r h TRP 69 Ca -0.10 0.03 -0.62 0.00 -0.00 0.00 0.00 58.89 58.20 1r6r h TRP 69 Cb 1.80 -0.21 -0.37 0.00 -0.00 0.00 0.00 29.16 30.38 1r6r h TRP 69 CO 0.00 0.06 -0.11 0.41 -0.00 0.00 0.00 178.44 178.80 1r6r n GLY 70 N -1.44 6.09 0.65 2.65 0.00 -1.20 -4.53 105.19 107.41 1r6r n GLY 70 Ca 0.26 -2.57 -0.02 0.00 0.00 0.00 0.00 46.02 43.69 1r6r n GLY 70 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r6r n THR 71 N -0.71 0.00 0.00 2.61 5.66 -0.47 -5.09 114.28 116.28 1r6r n THR 71 Ca 0.50 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 1r6r n THR 71 Cb 0.74 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 1r6r n THR 71 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1r6r n ILE 72 N 0.00 0.00 -0.00 1.09 -5.35 -1.19 -5.01 119.36 108.90 1r6r n ILE 72 Ca -0.08 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1r6r n ILE 72 Cb 0.57 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 38.46 1r6r n ILE 72 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1r6r n LYS 73 N 0.00 3.74 0.00 6.28 4.81 -1.26 -5.00 118.16 126.73 1r6r n LYS 73 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1r6r n LYS 73 Cb 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1r6r n LYS 73 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1r6r n LYS 74 N -2.04 0.00 -0.21 1.64 4.76 -1.26 -4.49 118.16 116.56 1r6r n LYS 74 Ca -0.01 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.44 1r6r n LYS 74 Cb 0.52 -0.09 0.26 0.00 -1.84 0.00 0.00 35.03 33.88 1r6r n LYS 74 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1r6r h SER 75 N 0.00 0.84 0.11 4.39 0.02 -1.98 0.55 113.55 117.48 1r6r h SER 75 Ca 0.00 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.75 1r6r h SER 75 Cb 0.00 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 62.36 1r6r h SER 75 CO 0.00 0.60 -0.79 0.50 -1.14 0.00 0.00 176.83 176.00 1r6r h LYS 76 N 0.98 0.34 0.10 3.45 1.63 -1.96 -2.14 116.57 118.98 1r6r h LYS 76 Ca 0.28 -0.51 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1r6r h LYS 76 Cb -0.07 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1r6r h LYS 76 CO -0.07 1.22 -0.05 0.00 -3.45 0.00 0.00 179.45 177.10 1r6r h ALA 77 N 0.14 -0.14 -0.58 5.00 0.00 -1.81 0.13 119.26 122.00 1r6r h ALA 77 Ca -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1r6r h ALA 77 Cb 1.59 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1r6r h ALA 77 CO 0.15 -0.52 0.36 0.82 0.00 0.00 0.00 179.25 180.05 1r6r h ILE 78 N -0.25 1.17 -0.89 0.00 2.04 -0.02 0.50 117.51 120.06 1r6r h ILE 78 Ca -0.01 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1r6r h ILE 78 Cb 0.21 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1r6r h ILE 78 CO 0.02 0.17 0.53 0.78 0.00 0.00 0.00 178.15 179.65 1r6r h ASN 79 N 0.78 1.08 -0.06 1.72 2.35 -1.19 0.60 115.58 120.86 1r6r h ASN 79 Ca 0.21 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1r6r h ASN 79 Cb -0.03 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 1r6r h ASN 79 CO -0.04 0.84 0.04 0.58 -1.65 0.00 0.00 177.43 177.20 1r6r h VAL 80 N 1.24 1.06 -0.26 2.81 2.07 0.13 -0.33 116.25 122.96 1r6r h VAL 80 Ca 0.32 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1r6r h VAL 80 Cb -0.03 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1r6r h VAL 80 CO -0.06 0.05 0.18 -0.07 0.02 0.00 0.00 177.57 177.69 1r6r h LEU 81 N 0.03 0.28 -0.49 2.57 4.07 -0.29 0.25 115.31 121.74 1r6r h LEU 81 Ca 0.02 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.89 1r6r h LEU 81 Cb 0.05 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1r6r h LEU 81 CO -0.00 0.20 -0.03 -0.09 -1.08 0.00 0.00 178.44 177.43 1r6r h ARG 82 N 0.33 0.88 -0.02 1.13 9.65 0.06 -2.17 114.38 124.24 1r6r h ARG 82 Ca 0.10 -0.30 -0.10 0.00 -1.10 0.00 0.00 59.98 58.58 1r6r h ARG 82 Cb 0.01 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1r6r h ARG 82 CO -0.02 0.94 -0.46 0.78 2.80 0.00 0.00 179.97 184.01 1r6r h GLY 83 N 0.74 0.06 0.89 2.80 0.00 0.49 -2.52 103.07 105.53 1r6r h GLY 83 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1r6r h GLY 83 CO 0.03 0.05 0.03 0.74 0.00 0.00 0.00 176.54 177.39 1r6r h PHE 84 N 0.04 0.05 -0.21 5.60 0.04 0.03 0.40 116.94 122.90 1r6r h PHE 84 Ca -0.00 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1r6r h PHE 84 Cb 0.82 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1r6r h PHE 84 CO 0.00 0.02 0.12 -0.09 -0.60 0.00 0.00 178.31 177.77 1r6r h ARG 85 N 0.08 0.29 -0.84 1.51 1.12 -1.25 0.34 114.38 115.63 1r6r h ARG 85 Ca 0.05 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 58.91 1r6r h ARG 85 Cb 0.04 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 29.89 1r6r h ARG 85 CO -0.06 0.26 0.55 0.87 -3.11 0.00 0.00 179.97 178.48 1r6r h LYS 86 N 0.24 1.07 -0.32 0.20 6.56 -1.08 0.16 116.57 123.41 1r6r h LYS 86 Ca 0.07 -0.06 -0.18 0.00 -1.06 0.00 0.00 60.65 59.42 1r6r h LYS 86 Cb 0.05 -0.24 -0.00 0.00 -0.57 0.00 0.00 32.23 31.47 1r6r h LYS 86 CO -0.01 0.71 -0.50 0.93 -2.06 0.00 0.00 179.45 178.52 1r6r h GLU 87 N 1.11 0.90 -0.65 3.15 5.08 0.38 -1.95 114.58 122.59 1r6r h GLU 87 Ca 0.31 -0.54 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1r6r h GLU 87 Cb -0.08 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1r6r h GLU 87 CO -0.08 1.18 0.08 0.97 -1.00 0.00 0.00 179.01 180.17 1r6r h ILE 88 N 0.70 1.26 -0.57 3.13 6.09 0.41 -0.20 117.51 128.34 1r6r h ILE 88 Ca 0.03 -1.06 -0.03 0.00 -1.37 0.00 0.00 64.86 62.43 1r6r h ILE 88 Cb 1.11 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 39.05 1r6r h ILE 88 CO 0.11 0.40 0.24 1.23 -3.07 0.00 0.00 178.15 177.07 1r6r h GLY 89 N 1.01 0.87 1.44 8.18 0.00 -0.62 -1.07 103.07 112.89 1r6r h GLY 89 Ca 0.19 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1r6r h GLY 89 CO 0.02 0.40 -0.26 3.21 0.00 0.00 0.00 176.54 179.91 1r6r h ARG 90 N 0.80 0.64 -0.94 4.80 3.08 -0.63 -2.32 114.38 119.82 1r6r h ARG 90 Ca 0.20 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1r6r h ARG 90 Cb 0.13 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1r6r h ARG 90 CO -0.02 0.84 0.61 1.98 -1.07 0.00 0.00 179.97 182.31 1r6r h MET 91 N 0.55 1.11 -0.59 0.04 4.05 0.23 0.15 114.93 120.47 1r6r h MET 91 Ca 0.07 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1r6r h MET 91 Cb 0.74 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1r6r h MET 91 CO 0.06 0.73 0.17 -0.07 0.23 0.00 0.00 176.91 178.03 1r6r h LEU 92 N 1.14 0.88 -2.06 3.39 3.38 -0.95 0.13 115.31 121.23 1r6r h LEU 92 Ca 0.38 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1r6r h LEU 92 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1r6r h LEU 92 CO -0.13 0.87 0.36 -1.13 0.09 0.00 0.00 178.44 178.50 1r6r h ASN 93 N 0.85 0.00 0.26 -0.43 -0.73 -0.47 0.46 115.58 115.51 1r6r h ASN 93 Ca 0.19 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 58.02 1r6r h ASN 93 Cb 0.32 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.92 1r6r h ASN 93 CO -0.00 0.00 -1.68 0.40 -0.37 0.00 0.00 177.43 175.78 1r6r h ILE 94 N 0.00 1.02 -0.47 2.57 2.04 -0.00 -3.17 117.51 119.49 1r6r h ILE 94 Ca 0.18 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1r6r h ILE 94 Cb 0.89 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1r6r h ILE 94 CO -0.00 0.84 0.00 0.00 0.00 0.00 0.00 178.15 178.99 1r6r n LEU 95 N -3.58 3.57 -0.01 1.44 -0.00 0.15 -4.06 117.00 114.52 1r6r n LEU 95 Ca -0.22 -1.80 -0.01 0.00 -0.00 0.00 0.00 56.01 53.98 1r6r n LEU 95 Cb 1.07 -0.49 -0.02 0.00 -0.00 0.00 0.00 43.42 43.99 1r6r n LEU 95 CO 0.52 0.62 -0.58 0.59 -0.00 0.00 0.00 177.39 178.55 1r6r n ASN 96 N 0.77 4.36 0.00 1.45 3.02 0.14 -4.57 115.26 120.43 1r6r n ASN 96 Ca 0.19 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.84 1r6r n ASN 96 Cb 0.67 0.65 0.49 0.00 -0.61 0.00 0.00 39.78 40.98 1r6r n ASN 96 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1r6r n ARG 97 N -2.02 0.18 0.28 3.52 0.63 -1.20 -3.30 116.66 114.76 1r6r n ARG 97 Ca -0.04 0.12 0.18 0.00 -0.92 0.00 0.00 57.85 57.19 1r6r n ARG 97 Cb 0.50 -1.50 0.93 0.00 0.45 0.00 0.00 32.46 32.85 1r6r n ARG 97 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1r6r h ARG 98 N 0.00 0.00 0.00 -0.14 0.11 -1.81 -3.45 114.38 109.10 1r6r h ARG 98 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r6r h ARG 98 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1r6r h ARG 98 CO 0.00 0.00 0.00 -2.13 0.10 0.00 0.00 179.97 177.94 1r6r n ARG 99 N -3.33 0.00 0.00 0.08 0.00 -1.21 -5.21 116.66 107.00 1r6r n ARG 99 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1r6r n ARG 99 Cb 0.28 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.77 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52