#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 -6.14 0.00 1.20 1.74 -1.26 -4.60 116.66 107.60 1r6r n ARG 22 Ca 0.00 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1r6r n ARG 22 Cb 0.00 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 25.85 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 -4.77 0.00 1.73 1.55 3.14 -1.26 0.41 118.33 119.13 1r6r n VAL 23 Ca 0.03 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.45 1r6r n VAL 23 Cb 0.54 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 33.49 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 -0.11 0.49 -0.05 6.55 7.64 -1.26 -3.63 113.62 123.24 1r6r n SER 24 Ca 0.00 -1.85 -0.14 0.00 1.01 0.00 0.00 58.87 57.88 1r6r n SER 24 Cb 0.00 -0.05 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.30 1.59 1.09 0.44 -1.04 -1.26 -4.03 114.28 110.76 1r6r n THR 25 Ca 0.07 -0.73 0.12 0.00 -2.04 0.00 0.00 64.05 61.47 1r6r n THR 25 Cb 0.10 -1.18 0.59 0.00 -1.82 0.00 0.00 70.33 68.02 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 -3.14 0.25 -0.26 12.58 3.14 -1.24 -3.51 118.33 126.14 1r6r n VAL 26 Ca -0.30 0.06 0.07 0.00 -2.96 0.00 0.00 64.34 61.20 1r6r n VAL 26 Cb 1.06 -0.65 0.30 0.00 -1.06 0.00 0.00 33.84 33.49 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 0.85 0.01 1.45 1.08 -1.72 -1.56 115.11 115.22 1r6r h GLN 27 Ca 0.00 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1r6r h GLN 27 Cb 0.27 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1r6r h GLN 27 CO 0.00 0.56 -0.18 -0.56 -0.95 0.00 0.00 178.83 177.70 1r6r h GLN 28 N 0.87 -0.28 0.00 1.46 -0.00 -1.84 0.29 115.11 115.61 1r6r h GLN 28 Ca 0.39 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 1r6r h GLN 28 Cb 0.35 0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 1r6r h GLN 28 CO -0.15 -0.19 0.00 1.37 -0.00 0.00 0.00 178.83 179.86 1r6r h LEU 29 N -0.30 0.00 -0.50 0.06 8.10 -1.74 -1.93 115.31 119.01 1r6r h LEU 29 Ca 0.05 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.94 1r6r h LEU 29 Cb 0.36 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 1r6r h LEU 29 CO -0.16 0.00 -0.46 0.74 -4.11 0.00 0.00 178.44 174.45 1r6r h THR 30 N 0.00 0.91 0.00 0.15 2.02 -0.14 -1.23 112.91 114.62 1r6r h THR 30 Ca 0.00 -1.91 -0.02 0.00 0.77 0.00 0.00 66.41 65.25 1r6r h THR 30 Cb 0.58 2.19 -0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1r6r h THR 30 CO 0.00 0.45 -1.43 2.29 0.37 0.00 0.00 175.52 177.20 1r6r n LYS 31 N -3.38 0.63 0.02 6.66 2.85 -0.05 -4.16 118.16 120.72 1r6r n LYS 31 Ca 0.01 0.01 -0.10 0.00 -1.05 0.00 0.00 58.31 57.18 1r6r n LYS 31 Cb 0.63 -1.71 -0.13 0.00 -0.65 0.00 0.00 35.03 33.17 1r6r n LYS 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1r6r h ARG 32 N 0.00 0.05 -0.94 -1.58 3.08 -1.29 -3.32 114.38 110.37 1r6r h ARG 32 Ca -0.02 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.72 1r6r h ARG 32 Cb 1.07 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.01 1r6r h ARG 32 CO 0.00 0.80 0.28 1.97 -1.07 0.00 0.00 179.97 181.95 1r6r n PHE 33 N -3.23 1.63 0.08 3.04 -1.74 -0.47 -4.61 117.46 112.15 1r6r n PHE 33 Ca -0.11 -1.06 -0.13 0.00 -0.56 0.00 0.00 57.45 55.59 1r6r n PHE 33 Cb 1.01 -0.57 -0.08 0.00 1.52 0.00 0.00 39.48 41.36 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 1.01 -1.26 -3.37 5.98 0.02 -1.73 -3.38 113.55 110.82 1r6r h SER 34 Ca 0.28 0.13 -0.61 0.00 -0.84 0.00 0.00 61.79 60.76 1r6r h SER 34 Cb 1.90 0.47 -0.40 0.00 0.14 0.00 0.00 62.40 64.51 1r6r h SER 34 CO 0.55 -0.43 -0.74 -0.76 -1.14 0.00 0.00 176.83 174.31 1r6r s LEU 35 N -9.05 2.90 0.00 5.07 1.02 -1.26 -5.03 118.68 112.33 1r6r s LEU 35 Ca -0.13 -1.99 0.00 0.00 0.02 0.00 0.00 54.13 52.03 1r6r s LEU 35 Cb 0.05 -1.08 0.00 0.00 0.02 0.00 0.00 46.19 45.18 1r6r s LEU 35 CO 0.47 -0.37 0.00 0.61 0.02 0.00 0.00 176.35 177.08 1r6r n GLY 36 N 4.40 0.28 1.01 -3.19 0.00 -1.26 -4.98 105.19 101.46 1r6r n GLY 36 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.15 1.61 0.00 -1.26 0.12 117.12 117.74 1r6r n MET 37 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 57.70 57.87 1r6r n MET 37 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 33.22 33.83 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 0.06 -0.89 -0.00 -1.97 -0.37 115.31 112.14 1r6r h LEU 38 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.59 1r6r h LEU 38 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1r6r h LEU 38 CO 0.00 0.00 -1.60 -0.61 -0.00 0.00 0.00 178.44 176.23 1r6r h GLN 39 N 0.00 0.13 0.00 0.17 4.15 0.46 -3.49 115.11 116.52 1r6r h GLN 39 Ca 0.15 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1r6r h GLN 39 Cb 1.39 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.16 1r6r h GLN 39 CO -0.00 1.10 0.00 0.41 -1.93 0.00 0.00 178.83 178.41 1r6r n GLY 40 N 1.69 -0.22 7.00 2.39 0.00 -0.15 -5.10 105.19 110.81 1r6r n GLY 40 Ca -0.32 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.00 1.61 3.00 -1.26 -4.60 116.66 115.41 1r6r n ARG 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1r6r n ARG 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1r6r n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1r6r n GLY 42 N 0.00 -0.83 0.09 5.14 0.00 -1.26 -4.98 105.19 103.34 1r6r n GLY 42 Ca 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1r6r n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r6r h PRO 43 N 0.00 0.00 -1.17 1.61 0.13 -2.03 -3.48 132.00 127.06 1r6r h PRO 43 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 1r6r h PRO 43 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1r6r h PRO 43 CO 0.00 0.65 -0.33 -0.11 -0.23 0.00 0.00 178.00 177.98 1r6r n LEU 44 N -4.52 -1.29 -0.04 1.56 7.94 -1.26 -4.78 117.00 114.61 1r6r n LEU 44 Ca -0.21 0.44 -0.07 0.00 -1.11 0.00 0.00 56.01 55.06 1r6r n LEU 44 Cb 0.51 -2.50 -0.14 0.00 0.53 0.00 0.00 43.42 41.81 1r6r n LEU 44 CO 0.16 -0.92 -0.73 2.29 -1.11 0.00 0.00 177.39 177.08 1r6r n LYS 45 N -2.17 0.65 -0.30 1.96 2.85 -1.26 -4.28 118.16 115.60 1r6r n LYS 45 Ca -0.18 0.15 0.28 0.00 -1.05 0.00 0.00 58.31 57.51 1r6r n LYS 45 Cb 0.58 -1.68 0.52 0.00 -0.65 0.00 0.00 35.03 33.80 1r6r n LYS 45 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1r6r n LEU 46 N -2.87 0.28 0.07 -5.58 -0.00 -1.26 0.61 117.00 108.25 1r6r n LEU 46 Ca -0.21 1.54 -0.09 0.00 -0.00 0.00 0.00 56.01 57.26 1r6r n LEU 46 Cb 1.03 -0.73 -0.06 0.00 -0.00 0.00 0.00 43.42 43.66 1r6r n LEU 46 CO 0.44 -1.71 0.29 0.15 -0.00 0.00 0.00 177.39 176.56 1r6r h PHE 47 N 0.00 -0.26 -0.54 1.96 3.57 -1.98 -2.62 116.94 117.07 1r6r h PHE 47 Ca 0.77 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 62.29 1r6r h PHE 47 Cb 1.99 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.78 1r6r h PHE 47 CO -0.06 0.07 0.32 0.52 -2.23 0.00 0.00 178.31 176.93 1r6r h MET 48 N -0.97 0.60 -0.24 1.11 2.86 -1.21 -2.15 114.93 114.93 1r6r h MET 48 Ca -0.03 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1r6r h MET 48 Cb 0.44 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1r6r h MET 48 CO 0.05 0.40 -0.01 0.00 1.06 0.00 0.00 176.91 178.41 1r6r h ALA 49 N 1.25 0.21 0.94 6.32 0.00 0.07 0.53 119.26 128.58 1r6r h ALA 49 Ca 0.23 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1r6r h ALA 49 Cb 0.06 0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1r6r h ALA 49 CO -0.11 -0.43 -0.47 1.25 0.00 0.00 0.00 179.25 179.49 1r6r h LEU 50 N 0.07 -1.12 -1.33 0.00 5.85 -1.12 -0.22 115.31 117.45 1r6r h LEU 50 Ca 0.11 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1r6r h LEU 50 Cb 0.15 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1r6r h LEU 50 CO -0.20 -0.78 0.47 0.58 -0.34 0.00 0.00 178.44 178.17 1r6r h VAL 51 N -1.28 1.13 -0.22 1.05 2.07 -1.31 -2.19 116.25 115.50 1r6r h VAL 51 Ca -0.13 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1r6r h VAL 51 Cb 0.99 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1r6r h VAL 51 CO 0.20 0.16 0.13 0.00 0.02 0.00 0.00 177.57 178.08 1r6r h ALA 52 N 1.58 0.28 0.18 1.67 0.00 0.32 0.44 119.26 123.73 1r6r h ALA 52 Ca 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1r6r h ALA 52 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1r6r h ALA 52 CO -0.07 -0.20 -0.44 0.35 0.00 0.00 0.00 179.25 178.88 1r6r h PHE 53 N 0.27 -1.24 -0.71 0.00 3.57 -0.43 0.39 116.94 118.79 1r6r h PHE 53 Ca 0.08 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1r6r h PHE 53 Cb 0.03 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1r6r h PHE 53 CO -0.04 -0.55 0.47 -0.07 -2.23 0.00 0.00 178.31 175.89 1r6r h LEU 54 N -0.71 0.67 -0.36 0.59 -0.00 -1.30 0.34 115.31 114.54 1r6r h LEU 54 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1r6r h LEU 54 Cb 0.71 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1r6r h LEU 54 CO -0.22 0.44 0.00 -1.14 -0.00 0.00 0.00 178.44 177.52 1r6r n ARG 55 N -4.47 0.10 0.03 1.13 0.00 0.15 0.68 116.66 114.29 1r6r n ARG 55 Ca 0.10 0.34 0.09 0.00 -0.00 0.00 0.00 57.85 58.38 1r6r n ARG 55 Cb 0.20 -1.69 -0.10 0.00 0.00 0.00 0.00 32.46 30.87 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 -1.88 0.46 -0.09 -0.14 3.72 0.12 -4.11 117.46 115.53 1r6r n PHE 56 Ca 0.03 0.14 -0.13 0.00 -0.05 0.00 0.00 57.45 57.44 1r6r n PHE 56 Cb 0.20 -0.75 -0.09 0.00 -0.94 0.00 0.00 39.48 37.90 1r6r n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1r6r n LEU 57 N -2.50 2.91 0.00 4.37 4.77 -0.87 -4.90 117.00 120.79 1r6r n LEU 57 Ca -0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1r6r n LEU 57 Cb 0.61 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1r6r n LEU 57 CO 0.43 0.80 0.00 0.41 -1.33 0.00 0.00 177.39 177.71 1r6r n THR 58 N -3.03 0.00 -3.55 -5.08 -1.04 0.06 -5.06 114.28 96.58 1r6r n THR 58 Ca -0.33 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.42 1r6r n THR 58 Cb 0.85 0.79 0.05 0.00 -1.82 0.00 0.00 70.33 70.20 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 0.00 -6.86 -2.95 12.58 -0.00 0.22 -4.92 119.36 117.43 1r6r n ILE 59 Ca 0.00 -1.07 -0.39 0.00 -0.00 0.00 0.00 62.75 61.29 1r6r n ILE 59 Cb 0.03 -5.01 -0.00 0.00 -0.00 0.00 0.00 39.64 34.66 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 -3.89 4.40 -2.03 0.38 -0.04 -1.26 -4.94 135.00 127.61 1r6r n PRO 60 Ca -0.09 -4.64 -0.42 0.00 -0.04 0.00 0.00 63.50 58.30 1r6r n PRO 60 Cb 0.60 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 -3.29 3.26 1.24 0.54 0.04 -1.26 -4.97 135.00 130.56 1r6r s PRO 61 Ca 0.36 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 1r6r s PRO 61 Cb 0.13 -4.21 0.28 0.00 0.04 0.00 0.00 34.50 30.74 1r6r s PRO 61 CO -0.00 -1.95 0.76 -2.37 0.04 0.00 0.00 177.00 173.48 1r6r n THR 62 N 7.37 0.00 -0.15 1.26 5.66 -1.26 -4.75 114.28 122.40 1r6r n THR 62 Ca 0.22 -0.33 -0.03 0.00 -3.05 0.00 0.00 64.05 60.87 1r6r n THR 62 Cb 0.48 -0.90 0.06 0.00 -1.55 0.00 0.00 70.33 68.42 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 -2.86 0.53 -0.49 1.79 0.00 -0.36 -2.34 119.26 115.53 1r6r h ALA 63 Ca -0.55 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1r6r h ALA 63 Cb 1.31 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1r6r h ALA 63 CO 0.40 -0.32 0.17 0.78 0.00 0.00 0.00 179.25 180.27 1r6r h GLY 64 N 0.21 0.65 -0.13 0.00 0.00 -1.82 -1.27 103.07 100.71 1r6r h GLY 64 Ca 0.24 -0.09 0.22 0.00 0.00 0.00 0.00 47.33 47.71 1r6r h GLY 64 CO -0.33 -0.00 0.49 -2.22 0.00 0.00 0.00 176.54 174.47 1r6r h ILE 65 N 0.34 0.53 0.01 2.60 1.08 -1.73 0.63 117.51 120.96 1r6r h ILE 65 Ca 0.24 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1r6r h ILE 65 Cb 0.26 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 1r6r h ILE 65 CO -0.25 0.09 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.23 1r6r h LEU 66 N 0.51 -0.01 -1.44 1.44 -0.00 -1.38 -1.09 115.31 113.34 1r6r h LEU 66 Ca 0.59 -0.62 0.09 0.00 -0.00 0.00 0.00 57.88 57.94 1r6r h LEU 66 Cb 1.08 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.70 1r6r h LEU 66 CO -0.49 0.79 0.47 0.11 -0.00 0.00 0.00 178.44 179.33 1r6r h LYS 67 N -0.99 0.63 0.00 1.13 1.79 -0.89 0.03 116.57 118.26 1r6r h LYS 67 Ca -0.00 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 1r6r h LYS 67 Cb 0.62 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1r6r h LYS 67 CO 0.00 0.42 -0.68 0.07 -1.08 0.00 0.00 179.45 178.18 1r6r h ARG 68 N 0.65 0.00 -0.95 3.15 0.11 0.15 -3.30 114.38 114.19 1r6r h ARG 68 Ca 0.32 0.00 0.17 0.00 0.10 0.00 0.00 59.98 60.57 1r6r h ARG 68 Cb 0.41 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.40 1r6r h ARG 68 CO -0.11 0.53 0.60 2.35 0.10 0.00 0.00 179.97 183.45 1r6r h TRP 69 N 0.00 0.89 -1.56 4.08 -0.00 0.38 -2.45 115.95 117.29 1r6r h TRP 69 Ca -0.03 0.03 -0.65 0.00 -0.00 0.00 0.00 58.89 58.24 1r6r h TRP 69 Cb 1.46 -0.28 -0.36 0.00 -0.00 0.00 0.00 29.16 29.98 1r6r h TRP 69 CO 0.00 0.27 -0.01 0.41 -0.00 0.00 0.00 178.44 179.11 1r6r n GLY 70 N -1.40 5.88 0.72 2.65 0.00 -1.20 -4.52 105.19 107.31 1r6r n GLY 70 Ca 0.20 -2.63 -0.04 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.56 0.00 0.00 2.61 5.66 -0.92 -5.09 114.28 115.98 1r6r n THR 71 Ca 0.46 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 1r6r n THR 71 Cb 0.55 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 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 -0.02 1.09 -5.35 -1.23 -5.02 119.36 108.83 1r6r n ILE 72 Ca -0.14 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.32 1r6r n ILE 72 Cb 0.54 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.67 0.00 6.28 3.00 -1.26 -5.00 118.16 122.84 1r6r n LYS 73 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1r6r n LYS 73 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1r6r n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1r6r n LYS 74 N -2.38 0.00 -0.36 1.64 4.76 -1.26 -4.50 118.16 116.06 1r6r n LYS 74 Ca -0.06 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1r6r n LYS 74 Cb 0.58 -0.05 0.15 0.00 -1.84 0.00 0.00 35.03 33.87 1r6r n LYS 74 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1r6r h SER 75 N 0.00 1.08 0.09 4.39 4.64 -1.98 0.66 113.55 122.44 1r6r h SER 75 Ca 0.00 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 1r6r h SER 75 Cb 0.00 -0.26 0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1r6r h SER 75 CO 0.00 0.76 -1.12 0.50 -0.87 0.00 0.00 176.83 176.10 1r6r h LYS 76 N 1.27 0.59 0.15 4.77 1.63 -1.99 -2.09 116.57 120.90 1r6r h LYS 76 Ca 0.38 -0.76 -0.01 0.00 -0.85 0.00 0.00 60.65 59.41 1r6r h LYS 76 Cb -0.05 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1r6r h LYS 76 CO -0.10 1.34 -0.07 0.00 -3.45 0.00 0.00 179.45 177.16 1r6r h ALA 77 N 0.29 -0.20 -0.89 5.00 0.00 -1.76 0.40 119.26 122.09 1r6r h ALA 77 Ca -0.17 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1r6r h ALA 77 Cb 1.80 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 1r6r h ALA 77 CO 0.21 -0.53 0.58 0.82 0.00 0.00 0.00 179.25 180.34 1r6r h ILE 78 N -0.38 1.20 -0.52 0.00 2.04 0.22 0.33 117.51 120.42 1r6r h ILE 78 Ca -0.02 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1r6r h ILE 78 Cb 0.30 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1r6r h ILE 78 CO 0.03 0.21 0.02 0.78 0.00 0.00 0.00 178.15 179.20 1r6r h ASN 79 N 1.18 0.82 -0.07 1.72 2.35 -1.15 -0.01 115.58 120.42 1r6r h ASN 79 Ca 0.33 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1r6r h ASN 79 Cb -0.10 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 1r6r h ASN 79 CO -0.08 0.88 0.03 0.58 -1.65 0.00 0.00 177.43 177.18 1r6r h VAL 80 N 0.80 1.13 -0.31 2.81 2.07 0.13 0.52 116.25 123.40 1r6r h VAL 80 Ca 0.16 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1r6r h VAL 80 Cb 0.45 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1r6r h VAL 80 CO 0.02 0.11 0.20 -0.07 0.02 0.00 0.00 177.57 177.85 1r6r h LEU 81 N -0.04 0.30 -0.40 2.57 4.07 -0.06 0.12 115.31 121.88 1r6r h LEU 81 Ca 0.02 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 1r6r h LEU 81 Cb 0.15 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1r6r h LEU 81 CO -0.00 0.22 -0.21 -0.09 -1.08 0.00 0.00 178.44 177.27 1r6r h ARG 82 N 0.36 0.86 -0.59 1.13 9.65 -0.26 -1.85 114.38 123.68 1r6r h ARG 82 Ca 0.12 -0.38 -0.06 0.00 -1.10 0.00 0.00 59.98 58.56 1r6r h ARG 82 Cb 0.04 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1r6r h ARG 82 CO -0.03 1.02 0.14 0.78 2.80 0.00 0.00 179.97 184.69 1r6r h GLY 83 N 0.67 0.99 1.24 2.80 0.00 0.73 -1.59 103.07 107.92 1r6r h GLY 83 Ca 0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1r6r h GLY 83 CO 0.06 0.55 0.41 0.74 0.00 0.00 0.00 176.54 178.30 1r6r h PHE 84 N 0.88 0.98 -0.59 5.60 0.04 -0.51 0.43 116.94 123.76 1r6r h PHE 84 Ca 0.19 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 1r6r h PHE 84 Cb 0.32 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1r6r h PHE 84 CO 0.02 0.67 0.16 -0.09 -0.60 0.00 0.00 178.31 178.47 1r6r h ARG 85 N 1.01 0.90 -0.00 1.51 1.12 -0.47 0.15 114.38 118.59 1r6r h ARG 85 Ca 0.26 -0.18 -0.17 0.00 -1.11 0.00 0.00 59.98 58.78 1r6r h ARG 85 Cb 0.01 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 29.81 1r6r h ARG 85 CO -0.04 0.79 -0.78 -0.22 -3.11 0.00 0.00 179.97 176.61 1r6r h LYS 86 N 0.87 0.03 -0.23 0.20 1.63 -0.52 -2.29 116.57 116.27 1r6r h LYS 86 Ca 0.19 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.80 1r6r h LYS 86 Cb 0.29 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1r6r h LYS 86 CO -0.00 0.79 -0.51 0.93 -3.45 0.00 0.00 179.45 177.21 1r6r h GLU 87 N 0.02 0.64 -0.33 1.90 4.39 0.64 -1.80 114.58 120.05 1r6r h GLU 87 Ca -0.01 -0.38 -0.17 0.00 0.34 0.00 0.00 59.36 59.14 1r6r h GLU 87 Cb 1.37 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1r6r h GLU 87 CO 0.10 1.00 -0.45 0.97 -1.16 0.00 0.00 179.01 179.47 1r6r h ILE 88 N 0.50 1.27 -0.46 3.13 6.09 -0.68 -1.64 117.51 125.73 1r6r h ILE 88 Ca 0.02 -1.63 -0.01 0.00 -1.37 0.00 0.00 64.86 61.87 1r6r h ILE 88 Cb 1.06 1.51 -0.02 0.00 0.47 0.00 0.00 36.82 39.83 1r6r h ILE 88 CO 0.10 0.54 0.22 1.23 -3.07 0.00 0.00 178.15 177.17 1r6r h GLY 89 N 0.70 0.68 1.45 8.18 0.00 -1.31 -0.71 103.07 112.04 1r6r h GLY 89 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1r6r h GLY 89 CO 0.11 0.29 -0.32 3.21 0.00 0.00 0.00 176.54 179.82 1r6r h ARG 90 N 0.64 0.62 -0.84 4.80 3.08 -0.99 -2.38 114.38 119.31 1r6r h ARG 90 Ca 0.16 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.96 1r6r h ARG 90 Cb 0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1r6r h ARG 90 CO -0.02 0.86 0.55 1.98 -1.07 0.00 0.00 179.97 182.27 1r6r h MET 91 N 0.53 1.04 -0.51 0.04 4.05 -0.17 -0.51 114.93 119.40 1r6r h MET 91 Ca 0.06 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1r6r h MET 91 Cb 0.81 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1r6r h MET 91 CO 0.07 0.69 0.11 -0.07 0.23 0.00 0.00 176.91 177.94 1r6r h LEU 92 N 1.07 0.78 -2.14 3.39 3.38 -1.02 0.12 115.31 120.89 1r6r h LEU 92 Ca 0.32 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1r6r h LEU 92 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1r6r h LEU 92 CO -0.09 0.82 0.29 0.78 0.09 0.00 0.00 178.44 180.33 1r6r h ASN 93 N 0.70 0.00 0.18 -0.43 -0.26 -0.63 0.45 115.58 115.60 1r6r h ASN 93 Ca 0.16 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.58 1r6r h ASN 93 Cb 0.35 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.62 1r6r h ASN 93 CO 0.00 0.00 -1.57 0.40 -1.06 0.00 0.00 177.43 175.21 1r6r h ILE 94 N 0.00 1.05 -0.37 2.81 2.04 -0.12 -3.31 117.51 119.61 1r6r h ILE 94 Ca 0.12 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1r6r h ILE 94 Cb 0.70 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1r6r h ILE 94 CO -0.00 0.81 0.00 0.00 0.00 0.00 0.00 178.15 178.96 1r6r n LEU 95 N -3.73 2.52 -0.20 1.44 -0.00 0.19 -3.63 117.00 113.61 1r6r n LEU 95 Ca -0.23 -1.27 0.03 0.00 -0.00 0.00 0.00 56.01 54.54 1r6r n LEU 95 Cb 1.02 -0.36 0.02 0.00 -0.00 0.00 0.00 43.42 44.10 1r6r n LEU 95 CO 0.50 0.51 0.30 0.59 -0.00 0.00 0.00 177.39 179.28 1r6r n ASN 96 N 0.56 1.32 -0.63 1.45 3.02 0.14 -4.52 115.26 116.60 1r6r n ASN 96 Ca 0.14 -1.16 0.06 0.00 -0.03 0.00 0.00 54.58 53.58 1r6r n ASN 96 Cb 0.46 0.12 0.15 0.00 -0.61 0.00 0.00 39.78 39.90 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 0.14 2.73 0.22 3.52 0.63 -1.24 -4.54 116.66 118.13 1r6r n ARG 97 Ca 0.03 -2.00 0.15 0.00 -0.92 0.00 0.00 57.85 55.12 1r6r n ARG 97 Cb 0.13 -1.27 0.68 0.00 0.45 0.00 0.00 32.46 32.45 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 2.04 0.00 0.00 -0.14 0.11 -1.79 -3.46 114.38 111.14 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 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 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 -2.70 0.00 0.00 0.08 0.63 -1.26 -5.21 116.66 108.19 1r6r n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1r6r n ARG 99 Cb 0.22 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.13 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01