#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 -4.02 0.00 1.20 1.74 -1.26 -4.50 116.66 109.82 1r6r n ARG 22 Ca 0.00 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1r6r n ARG 22 Cb 0.00 -5.46 0.00 0.00 -1.02 0.00 0.00 32.46 25.98 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 -4.18 0.00 1.31 1.55 3.14 -1.26 0.72 118.33 119.61 1r6r n VAL 23 Ca -0.07 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.33 1r6r n VAL 23 Cb 0.58 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.43 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 -0.16 1.06 -0.11 6.55 7.64 -1.26 -3.73 113.62 123.60 1r6r n SER 24 Ca 0.00 -2.05 -0.14 0.00 1.01 0.00 0.00 58.87 57.69 1r6r n SER 24 Cb 0.00 -0.21 -0.13 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.03 1.35 0.85 0.44 -1.04 -1.26 -4.29 114.28 110.30 1r6r n THR 25 Ca 0.05 -0.63 0.10 0.00 -2.04 0.00 0.00 64.05 61.53 1r6r n THR 25 Cb 0.20 -1.05 0.47 0.00 -1.82 0.00 0.00 70.33 68.13 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 -3.02 0.48 -0.26 12.58 3.14 -1.24 -3.34 118.33 126.67 1r6r n VAL 26 Ca -0.38 0.12 -0.05 0.00 -2.96 0.00 0.00 64.34 61.06 1r6r n VAL 26 Cb 1.01 -0.79 0.05 0.00 -1.06 0.00 0.00 33.84 33.06 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 0.98 0.01 1.45 1.08 -1.75 -2.42 115.11 114.46 1r6r h GLN 27 Ca 0.00 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1r6r h GLN 27 Cb 0.23 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 1r6r h GLN 27 CO 0.00 0.71 -0.24 -0.56 -0.95 0.00 0.00 178.83 177.79 1r6r h GLN 28 N 0.98 -0.36 -0.19 1.46 -0.00 -1.84 -2.00 115.11 113.16 1r6r h GLN 28 Ca 0.26 0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.84 1r6r h GLN 28 Cb -0.01 0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 27.54 1r6r h GLN 28 CO -0.05 -0.24 -0.26 1.37 -0.00 0.00 0.00 178.83 179.65 1r6r h LEU 29 N -0.38 0.35 -1.16 0.06 8.10 -1.78 -1.25 115.31 119.25 1r6r h LEU 29 Ca 0.06 -0.11 0.03 0.00 0.11 0.00 0.00 57.88 57.96 1r6r h LEU 29 Cb 0.46 -0.09 -0.05 0.00 -0.44 0.00 0.00 40.66 40.53 1r6r h LEU 29 CO -0.21 0.61 0.57 0.74 -4.11 0.00 0.00 178.44 176.05 1r6r h THR 30 N 0.31 1.17 0.00 0.15 2.02 -0.90 -1.55 112.91 114.12 1r6r h THR 30 Ca 0.05 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1r6r h THR 30 Cb 0.63 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1r6r h THR 30 CO 0.05 0.20 -0.66 0.07 0.37 0.00 0.00 175.52 175.55 1r6r h LYS 31 N 1.12 0.00 -0.03 6.66 2.10 -1.12 -3.22 116.57 122.09 1r6r h LYS 31 Ca 0.34 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.84 1r6r h LYS 31 Cb -0.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.28 1r6r h LYS 31 CO -0.09 0.00 -0.67 -0.09 -2.00 0.00 0.00 179.45 176.60 1r6r h ARG 32 N 0.00 0.12 -0.32 0.07 2.43 -0.27 -3.21 114.38 113.21 1r6r h ARG 32 Ca 0.00 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1r6r h ARG 32 Cb 0.94 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 1r6r h ARG 32 CO 0.00 0.74 0.01 1.97 -1.51 0.00 0.00 179.97 181.18 1r6r n PHE 33 N -3.79 1.08 0.17 2.20 -1.74 -0.81 -4.56 117.46 110.00 1r6r n PHE 33 Ca -0.02 -1.08 0.06 0.00 -0.56 0.00 0.00 57.45 55.84 1r6r n PHE 33 Cb 0.66 -0.38 0.15 0.00 1.52 0.00 0.00 39.48 41.42 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 1.62 0.00 -2.04 5.98 0.02 -1.56 -3.19 113.55 114.38 1r6r h SER 34 Ca 0.08 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.35 1r6r h SER 34 Cb 1.56 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.74 1r6r h SER 34 CO 0.30 0.36 0.03 0.00 -1.14 0.00 0.00 176.83 176.38 1r6r n LEU 35 N -3.25 5.75 0.00 5.07 -0.00 -1.26 -4.61 117.00 118.70 1r6r n LEU 35 Ca 0.02 -5.36 0.00 0.00 -0.00 0.00 0.00 56.01 50.67 1r6r n LEU 35 Cb 0.63 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1r6r n LEU 35 CO 0.38 2.15 0.00 0.61 -0.00 0.00 0.00 177.39 180.53 1r6r n GLY 36 N -0.31 0.00 0.58 1.47 0.00 -1.25 -4.97 105.19 100.71 1r6r n GLY 36 Ca 0.41 0.00 0.37 0.00 0.00 0.00 0.00 46.02 46.80 1r6r n GLY 36 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1r6r h MET 37 N 0.00 0.00 -0.17 1.61 4.05 -1.80 -0.41 114.93 118.21 1r6r h MET 37 Ca 0.00 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1r6r h MET 37 Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1r6r h MET 37 CO 0.00 0.00 0.43 1.37 0.23 0.00 0.00 176.91 178.94 1r6r h LEU 38 N 0.00 0.00 -3.17 3.39 8.10 -1.92 -1.97 115.31 119.74 1r6r h LEU 38 Ca 0.63 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 58.47 1r6r h LEU 38 Cb 2.98 0.00 -0.31 0.00 -0.44 0.00 0.00 40.66 42.89 1r6r h LEU 38 CO -0.01 0.00 -0.93 0.00 -4.11 0.00 0.00 178.44 173.40 1r6r n GLN 39 N -3.16 0.52 -1.39 0.17 1.13 -0.17 -4.95 117.38 109.53 1r6r n GLN 39 Ca 0.02 -2.42 -0.13 0.00 -1.94 0.00 0.00 57.00 52.53 1r6r n GLN 39 Cb 0.52 -0.49 -0.06 0.00 0.11 0.00 0.00 30.24 30.32 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r6r n GLY 40 N 0.06 1.32 6.64 1.08 0.00 -0.74 -4.60 105.19 108.95 1r6r n GLY 40 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.67 0.00 0.00 1.61 3.00 -1.17 -4.49 116.66 113.94 1r6r n ARG 41 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1r6r n ARG 41 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 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 -1.91 0.10 5.14 0.00 -1.26 -4.99 105.19 102.27 1r6r n GLY 42 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 46.36 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 0.12 -2.69 1.61 0.13 -2.00 -3.47 132.00 125.70 1r6r h PRO 43 Ca 0.00 -0.20 -0.30 0.00 -0.87 0.00 0.00 66.00 64.63 1r6r h PRO 43 Cb 0.00 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 31.15 1r6r h PRO 43 CO 0.00 1.10 -0.34 -0.11 -0.23 0.00 0.00 178.00 178.42 1r6r n LEU 44 N -4.32 -1.25 -0.09 1.56 0.00 -1.26 -4.78 117.00 106.85 1r6r n LEU 44 Ca -0.18 0.23 -0.11 0.00 0.00 0.00 0.00 56.01 55.95 1r6r n LEU 44 Cb 0.68 -2.29 -0.12 0.00 0.00 0.00 0.00 43.42 41.69 1r6r n LEU 44 CO 0.36 -0.40 -1.10 2.29 0.00 0.00 0.00 177.39 178.54 1r6r n LYS 45 N -2.51 1.00 -0.25 1.96 2.85 -1.26 -4.41 118.16 115.55 1r6r n LYS 45 Ca -0.16 0.04 0.21 0.00 -1.05 0.00 0.00 58.31 57.35 1r6r n LYS 45 Cb 0.57 -1.43 0.40 0.00 -0.65 0.00 0.00 35.03 33.92 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 -2.80 0.18 -0.03 -5.58 -0.00 -1.26 0.56 117.00 108.07 1r6r n LEU 46 Ca -0.31 1.29 -0.16 0.00 -0.00 0.00 0.00 56.01 56.83 1r6r n LEU 46 Cb 1.00 -0.59 -0.13 0.00 -0.00 0.00 0.00 43.42 43.71 1r6r n LEU 46 CO 0.31 -1.41 0.33 0.15 -0.00 0.00 0.00 177.39 176.77 1r6r h PHE 47 N 0.00 0.17 -0.04 1.96 3.57 -1.99 -2.58 116.94 118.03 1r6r h PHE 47 Ca 0.61 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 62.02 1r6r h PHE 47 Cb 1.54 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.24 1r6r h PHE 47 CO -0.10 1.03 -0.13 1.98 -2.23 0.00 0.00 178.31 178.86 1r6r h MET 48 N -0.74 -0.18 -0.47 1.11 4.05 -0.10 -0.40 114.93 118.21 1r6r h MET 48 Ca -0.04 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1r6r h MET 48 Cb 1.12 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 1r6r h MET 48 CO 0.04 -0.12 0.27 0.00 0.23 0.00 0.00 176.91 177.33 1r6r h ALA 49 N 0.81 0.60 0.89 0.39 0.00 -0.00 0.45 119.26 122.39 1r6r h ALA 49 Ca 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1r6r h ALA 49 Cb 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1r6r h ALA 49 CO -0.16 -0.05 -0.43 1.25 0.00 0.00 0.00 179.25 179.87 1r6r h LEU 50 N 0.54 -1.01 -1.58 0.00 5.85 -1.02 0.21 115.31 118.30 1r6r h LEU 50 Ca 0.19 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1r6r h LEU 50 Cb 0.04 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1r6r h LEU 50 CO -0.10 -0.72 0.24 0.58 -0.34 0.00 0.00 178.44 178.10 1r6r h VAL 51 N -1.20 1.11 -0.30 1.05 2.07 -1.04 -2.07 116.25 115.88 1r6r h VAL 51 Ca -0.12 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1r6r h VAL 51 Cb 0.92 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1r6r h VAL 51 CO 0.20 0.11 0.09 0.00 0.02 0.00 0.00 177.57 177.99 1r6r h ALA 52 N 1.73 0.39 0.04 1.67 0.00 0.15 0.23 119.26 123.47 1r6r h ALA 52 Ca 0.14 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1r6r h ALA 52 Cb -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1r6r h ALA 52 CO -0.03 0.03 -0.33 0.35 0.00 0.00 0.00 179.25 179.27 1r6r h PHE 53 N 0.32 -0.89 -0.68 0.00 3.57 0.10 0.46 116.94 119.82 1r6r h PHE 53 Ca 0.10 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1r6r h PHE 53 Cb 0.25 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1r6r h PHE 53 CO 0.01 -0.42 0.45 -0.07 -2.23 0.00 0.00 178.31 176.04 1r6r h LEU 54 N -0.50 0.70 0.00 0.59 -0.00 -1.33 0.31 115.31 115.08 1r6r h LEU 54 Ca 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1r6r h LEU 54 Cb 0.57 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1r6r h LEU 54 CO -0.25 0.48 0.00 -1.14 -0.00 0.00 0.00 178.44 177.54 1r6r n ARG 55 N -4.46 0.02 0.01 1.13 0.00 0.81 0.77 116.66 114.93 1r6r n ARG 55 Ca 0.08 0.20 0.06 0.00 -0.00 0.00 0.00 57.85 58.20 1r6r n ARG 55 Cb 0.13 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 30.97 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 -1.49 0.35 -0.10 -0.14 3.01 0.14 -4.20 117.46 115.04 1r6r n PHE 56 Ca 0.04 0.11 -0.13 0.00 1.01 0.00 0.00 57.45 58.48 1r6r n PHE 56 Cb 0.19 -0.76 -0.09 0.00 -0.01 0.00 0.00 39.48 38.81 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 -2.52 2.92 0.00 4.37 4.77 -0.88 -4.89 117.00 120.76 1r6r n LEU 57 Ca -0.09 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1r6r n LEU 57 Cb 0.70 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1r6r n LEU 57 CO 0.44 0.80 0.00 0.41 -1.33 0.00 0.00 177.39 177.71 1r6r n THR 58 N -3.09 0.00 -3.53 -5.08 -1.04 -0.34 -5.06 114.28 96.14 1r6r n THR 58 Ca -0.34 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.42 1r6r n THR 58 Cb 0.85 0.83 0.05 0.00 -1.82 0.00 0.00 70.33 70.24 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 -7.00 -2.88 12.58 -0.00 0.23 -4.92 119.36 117.37 1r6r n ILE 59 Ca 0.00 -1.06 -0.38 0.00 -0.00 0.00 0.00 62.75 61.31 1r6r n ILE 59 Cb 0.03 -5.09 -0.00 0.00 -0.00 0.00 0.00 39.64 34.58 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 -3.80 4.52 -2.12 0.38 -0.04 -1.26 -4.95 135.00 127.73 1r6r n PRO 60 Ca -0.08 -4.67 -0.43 0.00 -0.04 0.00 0.00 63.50 58.28 1r6r n PRO 60 Cb 0.60 -2.43 -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 -3.54 3.75 1.12 0.54 0.04 -1.26 -4.98 135.00 130.66 1r6r s PRO 61 Ca 0.38 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1r6r s PRO 61 Cb 0.16 -4.04 0.23 0.00 0.04 0.00 0.00 34.50 30.88 1r6r s PRO 61 CO -0.04 -1.35 0.87 -2.37 0.04 0.00 0.00 177.00 174.14 1r6r n THR 62 N 6.52 0.00 -0.18 1.26 5.66 -1.26 -4.77 114.28 121.51 1r6r n THR 62 Ca 0.19 -0.34 -0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1r6r n THR 62 Cb 0.46 -0.92 0.09 0.00 -1.55 0.00 0.00 70.33 68.40 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 -2.44 0.62 -0.70 1.79 0.00 -0.02 -1.64 119.26 116.86 1r6r h ALA 63 Ca -0.57 0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.57 1r6r h ALA 63 Cb 1.32 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 1r6r h ALA 63 CO 0.46 -0.33 0.34 0.78 0.00 0.00 0.00 179.25 180.49 1r6r h GLY 64 N 0.21 1.05 0.20 0.00 0.00 -1.84 0.34 103.07 103.04 1r6r h GLY 64 Ca 0.29 -0.21 0.18 0.00 0.00 0.00 0.00 47.33 47.59 1r6r h GLY 64 CO -0.40 0.04 0.62 -2.22 0.00 0.00 0.00 176.54 174.58 1r6r h ILE 65 N 0.58 0.75 0.00 2.60 1.08 -1.61 0.70 117.51 121.61 1r6r h ILE 65 Ca 0.35 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1r6r h ILE 65 Cb 0.38 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.00 1r6r h ILE 65 CO -0.28 0.15 -0.29 -0.07 -0.69 0.00 0.00 178.15 176.97 1r6r h LEU 66 N 0.81 0.00 -1.11 1.44 -0.00 -1.24 -1.47 115.31 113.74 1r6r h LEU 66 Ca 0.56 -0.76 0.08 0.00 -0.00 0.00 0.00 57.88 57.75 1r6r h LEU 66 Cb 0.82 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.42 1r6r h LEU 66 CO -0.35 1.05 0.61 0.11 -0.00 0.00 0.00 178.44 179.85 1r6r h LYS 67 N -1.00 1.01 0.00 1.13 1.79 -0.70 -0.58 116.57 118.22 1r6r h LYS 67 Ca -0.08 -0.06 -0.18 0.00 -2.18 0.00 0.00 60.65 58.15 1r6r h LYS 67 Cb 0.95 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 1r6r h LYS 67 CO -0.05 0.67 -0.86 0.07 -1.08 0.00 0.00 179.45 178.20 1r6r h ARG 68 N 1.04 0.00 -1.12 3.15 0.11 0.28 -3.27 114.38 114.57 1r6r h ARG 68 Ca 0.42 0.00 0.31 0.00 0.10 0.00 0.00 59.98 60.81 1r6r h ARG 68 Cb 0.25 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.24 1r6r h ARG 68 CO -0.17 0.86 0.73 2.35 0.10 0.00 0.00 179.97 183.84 1r6r h TRP 69 N 0.00 0.54 -0.93 4.08 2.91 0.03 0.07 115.95 122.65 1r6r h TRP 69 Ca -0.01 0.02 -0.62 0.00 1.13 0.00 0.00 58.89 59.41 1r6r h TRP 69 Cb 1.53 -0.15 -0.31 0.00 -0.51 0.00 0.00 29.16 29.72 1r6r h TRP 69 CO 0.00 -0.00 0.53 0.41 -1.03 0.00 0.00 178.44 178.35 1r6r n GLY 70 N -1.52 5.81 0.64 2.65 0.00 -1.21 -4.39 105.19 107.16 1r6r n GLY 70 Ca 0.28 -2.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.91 0.00 0.00 2.61 5.66 -0.00 -5.12 114.28 116.51 1r6r n THR 71 Ca 0.58 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.58 1r6r n THR 71 Cb 0.82 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 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 -1.12 -5.03 119.36 108.95 1r6r n ILE 72 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1r6r n ILE 72 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 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 2.68 0.00 6.28 3.00 -1.26 -5.01 118.16 123.86 1r6r n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1r6r n LYS 73 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 -2.15 0.00 -0.13 1.64 4.76 -1.26 -4.43 118.16 116.59 1r6r n LYS 74 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1r6r n LYS 74 Cb 0.50 -0.01 -0.00 0.00 -1.84 0.00 0.00 35.03 33.68 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 0.47 0.71 4.39 4.64 -1.98 0.55 113.55 122.33 1r6r h SER 75 Ca 0.00 -0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.07 1r6r h SER 75 Cb 0.00 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1r6r h SER 75 CO 0.00 0.38 -0.93 0.11 -0.87 0.00 0.00 176.83 175.52 1r6r h LYS 76 N 0.52 0.13 0.00 4.77 1.79 -1.98 -2.15 116.57 119.64 1r6r h LYS 76 Ca 0.14 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1r6r h LYS 76 Cb -0.00 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1r6r h LYS 76 CO -0.03 0.97 -0.00 0.00 -1.08 0.00 0.00 179.45 179.31 1r6r h ALA 77 N 0.97 -0.00 -0.50 3.86 0.00 -1.78 -1.10 119.26 120.71 1r6r h ALA 77 Ca -0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1r6r h ALA 77 Cb 1.60 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1r6r h ALA 77 CO 0.14 -0.22 0.07 0.82 0.00 0.00 0.00 179.25 180.05 1r6r h ILE 78 N -0.55 1.25 -0.73 0.00 2.04 -0.00 -0.19 117.51 119.33 1r6r h ILE 78 Ca -0.00 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 1r6r h ILE 78 Cb 0.55 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1r6r h ILE 78 CO 0.00 0.34 0.38 0.78 0.00 0.00 0.00 178.15 179.65 1r6r h ASN 79 N 0.72 0.92 0.24 1.72 2.35 -1.43 0.57 115.58 120.66 1r6r h ASN 79 Ca 0.15 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1r6r h ASN 79 Cb 0.42 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1r6r h ASN 79 CO 0.01 0.76 -0.11 0.58 -1.65 0.00 0.00 177.43 177.02 1r6r h VAL 80 N 1.03 0.81 -0.58 2.81 2.07 -0.71 0.19 116.25 121.87 1r6r h VAL 80 Ca 0.26 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1r6r h VAL 80 Cb 0.06 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1r6r h VAL 80 CO -0.04 0.06 0.38 -0.07 0.02 0.00 0.00 177.57 177.92 1r6r h LEU 81 N -0.44 0.50 -0.39 2.57 4.07 -0.61 0.21 115.31 121.21 1r6r h LEU 81 Ca -0.03 -0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 1r6r h LEU 81 Cb 0.34 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1r6r h LEU 81 CO 0.05 0.33 -0.29 -0.09 -1.08 0.00 0.00 178.44 177.36 1r6r h ARG 82 N 0.57 0.89 -0.66 1.13 9.65 -0.40 -1.81 114.38 123.75 1r6r h ARG 82 Ca 0.25 -0.43 -0.04 0.00 -1.10 0.00 0.00 59.98 58.65 1r6r h ARG 82 Cb 0.24 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 1r6r h ARG 82 CO -0.07 1.08 0.24 0.78 2.80 0.00 0.00 179.97 184.80 1r6r h GLY 83 N 0.70 1.07 1.35 2.80 0.00 0.12 -1.40 103.07 107.71 1r6r h GLY 83 Ca 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1r6r h GLY 83 CO 0.08 0.55 0.25 0.74 0.00 0.00 0.00 176.54 178.16 1r6r h PHE 84 N 0.97 0.83 -0.84 5.60 0.04 -0.36 0.28 116.94 123.46 1r6r h PHE 84 Ca 0.22 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 1r6r h PHE 84 Cb 0.23 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 1r6r h PHE 84 CO 0.02 0.63 0.48 -0.09 -0.60 0.00 0.00 178.31 178.75 1r6r h ARG 85 N 0.83 1.16 -0.00 1.51 1.12 -0.40 0.28 114.38 118.88 1r6r h ARG 85 Ca 0.20 -0.12 -0.17 0.00 -1.11 0.00 0.00 59.98 58.78 1r6r h ARG 85 Cb 0.13 -0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 1r6r h ARG 85 CO -0.02 0.84 -0.79 -0.22 -3.11 0.00 0.00 179.97 176.67 1r6r h LYS 86 N 1.16 0.07 -0.34 0.20 1.63 -0.80 -2.30 116.57 116.19 1r6r h LYS 86 Ca 0.30 -0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.88 1r6r h LYS 86 Cb 0.00 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1r6r h LYS 86 CO -0.05 0.82 -0.41 0.93 -3.45 0.00 0.00 179.45 177.28 1r6r h GLU 87 N 0.04 0.83 -0.32 1.90 5.08 0.37 -1.78 114.58 120.70 1r6r h GLU 87 Ca -0.02 -0.45 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1r6r h GLU 87 Cb 1.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1r6r h GLU 87 CO 0.11 1.08 -0.30 0.97 -1.00 0.00 0.00 179.01 179.87 1r6r h ILE 88 N 0.68 1.29 -0.33 3.13 2.10 -0.44 -1.80 117.51 122.14 1r6r h ILE 88 Ca 0.05 -1.47 -0.01 0.00 1.08 0.00 0.00 64.86 64.52 1r6r h ILE 88 Cb 0.99 1.52 -0.02 0.00 -1.09 0.00 0.00 36.82 38.22 1r6r h ILE 88 CO 0.09 0.48 0.18 1.23 -1.08 0.00 0.00 178.15 179.05 1r6r h GLY 89 N 0.53 0.48 1.27 8.18 0.00 -1.34 -0.87 103.07 111.31 1r6r h GLY 89 Ca 0.05 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 1r6r h GLY 89 CO 0.08 0.19 -0.36 3.21 0.00 0.00 0.00 176.54 179.66 1r6r h ARG 90 N 0.45 0.81 -0.93 4.80 3.08 -0.98 -2.14 114.38 119.48 1r6r h ARG 90 Ca 0.12 -0.40 0.05 0.00 0.07 0.00 0.00 59.98 59.82 1r6r h ARG 90 Cb 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1r6r h ARG 90 CO -0.02 1.04 0.61 1.98 -1.07 0.00 0.00 179.97 182.50 1r6r h MET 91 N 0.67 1.08 -0.66 0.04 4.05 -0.31 0.65 114.93 120.46 1r6r h MET 91 Ca 0.06 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1r6r h MET 91 Cb 0.91 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 1r6r h MET 91 CO 0.08 0.72 0.10 -0.07 0.23 0.00 0.00 176.91 177.97 1r6r h LEU 92 N 1.11 1.06 -2.26 3.39 3.38 -1.12 0.98 115.31 121.85 1r6r h LEU 92 Ca 0.39 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1r6r h LEU 92 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1r6r h LEU 92 CO -0.13 1.06 0.19 -1.13 0.09 0.00 0.00 178.44 178.51 1r6r h ASN 93 N 1.02 0.00 0.25 -0.43 -0.00 -0.25 0.39 115.58 116.56 1r6r h ASN 93 Ca 0.20 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 56.16 1r6r h ASN 93 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 1r6r h ASN 93 CO 0.01 0.00 -1.72 0.40 -0.00 0.00 0.00 177.43 176.13 1r6r h ILE 94 N 0.00 0.97 -0.50 2.57 2.04 0.06 -3.26 117.51 119.39 1r6r h ILE 94 Ca 0.08 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1r6r h ILE 94 Cb 0.46 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1r6r h ILE 94 CO -0.00 0.85 0.00 0.00 0.00 0.00 0.00 178.15 178.99 1r6r n LEU 95 N -3.55 3.27 0.00 1.44 -0.00 -0.06 -3.89 117.00 114.21 1r6r n LEU 95 Ca -0.23 -1.64 0.00 0.00 -0.00 0.00 0.00 56.01 54.13 1r6r n LEU 95 Cb 1.07 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1r6r n LEU 95 CO 0.51 0.66 0.13 0.59 -0.00 0.00 0.00 177.39 179.28 1r6r n ASN 96 N 0.89 0.52 -2.49 1.45 3.02 0.12 -4.70 115.26 114.06 1r6r n ASN 96 Ca 0.18 -0.76 -0.31 0.00 -0.03 0.00 0.00 54.58 53.66 1r6r n ASN 96 Cb 0.58 0.47 0.02 0.00 -0.61 0.00 0.00 39.78 40.24 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 -0.47 2.48 -0.03 3.52 0.63 -1.23 -4.28 116.66 117.29 1r6r n ARG 97 Ca 0.00 -2.81 0.05 0.00 -0.92 0.00 0.00 57.85 54.16 1r6r n ARG 97 Cb 0.00 -2.13 -0.13 0.00 0.45 0.00 0.00 32.46 30.65 1r6r n ARG 97 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1r6r n ARG 98 N -0.08 0.74 -2.83 -0.14 1.85 -1.26 -4.99 116.66 109.95 1r6r n ARG 98 Ca 0.51 -0.12 -0.20 0.00 -1.00 0.00 0.00 57.85 57.04 1r6r n ARG 98 Cb 0.48 -1.41 0.01 0.00 -1.05 0.00 0.00 32.46 30.49 1r6r n ARG 98 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1r6r n ARG 99 N -2.22 -3.32 0.00 2.89 0.63 -1.26 -5.26 116.66 108.12 1r6r n ARG 99 Ca -0.09 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1r6r n ARG 99 Cb 0.59 -5.52 0.00 0.00 0.45 0.00 0.00 32.46 27.98 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01