#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 -4.88 0.00 1.20 1.74 -1.26 -4.57 116.66 108.89 1r6r n ARG 22 Ca 0.00 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 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 -4.44 0.00 -0.77 1.55 3.14 -1.26 0.30 118.33 116.85 1r6r n VAL 23 Ca -0.01 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.17 1r6r n VAL 23 Cb 0.55 0.00 0.10 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 -0.21 4.88 -0.02 6.55 7.64 -1.26 -4.08 113.62 127.13 1r6r n SER 24 Ca 0.00 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.65 1r6r n SER 24 Cb 0.00 -0.85 -0.05 0.00 -1.01 0.00 0.00 64.21 62.30 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 -0.48 0.21 1.03 0.44 -1.04 -1.26 -4.53 114.28 108.64 1r6r n THR 25 Ca 0.43 -0.20 0.12 0.00 -2.04 0.00 0.00 64.05 62.36 1r6r n THR 25 Cb 1.05 -0.27 0.22 0.00 -1.82 0.00 0.00 70.33 69.51 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 -1.98 0.00 0.12 12.58 3.14 -1.26 -3.98 118.33 126.95 1r6r n VAL 26 Ca -0.05 -0.02 0.04 0.00 -2.96 0.00 0.00 64.34 61.35 1r6r n VAL 26 Cb 0.44 0.38 0.46 0.00 -1.06 0.00 0.00 33.84 34.06 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 0.20 0.28 -0.61 1.45 1.08 -1.80 -2.55 115.11 113.16 1r6r h GLN 27 Ca 0.00 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.29 1r6r h GLN 27 Cb 0.51 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.78 1r6r h GLN 27 CO 0.00 0.28 0.01 -0.56 -0.95 0.00 0.00 178.83 177.61 1r6r h GLN 28 N 0.28 0.12 0.05 1.46 -0.00 -1.87 -0.96 115.11 114.19 1r6r h GLN 28 Ca 0.07 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.65 58.46 1r6r h GLN 28 Cb 0.14 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.57 1r6r h GLN 28 CO -0.00 0.08 -1.22 1.37 -0.00 0.00 0.00 178.83 179.06 1r6r h LEU 29 N 0.13 0.15 -2.32 0.06 8.10 -1.81 -0.96 115.31 118.66 1r6r h LEU 29 Ca 0.32 -0.18 0.03 0.00 0.11 0.00 0.00 57.88 58.16 1r6r h LEU 29 Cb 0.51 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.67 1r6r h LEU 29 CO -0.51 1.15 0.19 0.74 -4.11 0.00 0.00 178.44 175.90 1r6r h THR 30 N 0.03 0.29 0.00 0.15 2.02 -0.83 0.83 112.91 115.40 1r6r h THR 30 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1r6r h THR 30 Cb 1.88 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1r6r h THR 30 CO 0.15 0.00 -1.20 2.29 0.37 0.00 0.00 175.52 177.13 1r6r n LYS 31 N -3.50 0.69 0.03 6.66 2.85 -0.48 -4.57 118.16 119.85 1r6r n LYS 31 Ca 0.00 -0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.32 1r6r n LYS 31 Cb 0.29 -1.12 0.14 0.00 -0.65 0.00 0.00 35.03 33.69 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 -1.67 0.21 -0.03 -1.58 0.63 -0.37 -3.89 116.66 109.97 1r6r n ARG 32 Ca -0.01 0.04 0.01 0.00 -0.92 0.00 0.00 57.85 56.97 1r6r n ARG 32 Cb 0.16 -1.61 0.02 0.00 0.45 0.00 0.00 32.46 31.49 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 -1.90 0.07 1.40 -0.14 -1.74 0.23 -3.57 117.46 111.80 1r6r n PHE 33 Ca 0.03 -0.04 0.15 0.00 -0.56 0.00 0.00 57.45 57.03 1r6r n PHE 33 Cb 0.41 -0.00 0.72 0.00 1.52 0.00 0.00 39.48 42.13 1r6r n PHE 33 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1r6r n SER 34 N -0.34 0.10 0.04 5.98 7.64 -1.25 -3.54 113.62 122.25 1r6r n SER 34 Ca 0.02 -0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.48 1r6r n SER 34 Cb 0.05 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 62.86 1r6r n SER 34 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1r6r h LEU 35 N 0.11 0.52 0.00 -3.43 5.85 -1.88 -3.48 115.31 112.99 1r6r h LEU 35 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1r6r h LEU 35 Cb 0.31 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1r6r h LEU 35 CO 0.00 1.75 0.00 0.61 -0.34 0.00 0.00 178.44 180.46 1r6r n GLY 36 N 1.84 5.36 5.00 3.75 0.00 -1.23 -4.89 105.19 115.02 1r6r n GLY 36 Ca -0.26 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 0.32 1.61 1.56 -1.26 -3.89 117.12 115.46 1r6r n MET 37 Ca 0.00 0.00 0.18 0.00 -0.27 0.00 0.00 57.70 57.61 1r6r n MET 37 Cb 0.00 0.00 0.93 0.00 2.15 0.00 0.00 33.22 36.30 1r6r n MET 37 CO 0.00 0.00 0.00 1.37 -0.73 0.00 0.00 175.97 176.61 1r6r h LEU 38 N 0.00 0.00 0.00 -0.89 -0.00 -1.92 -2.50 115.31 110.00 1r6r h LEU 38 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.56 1r6r h LEU 38 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 1r6r h LEU 38 CO 0.00 0.00 -1.79 1.67 -0.00 0.00 0.00 178.44 178.32 1r6r n GLN 39 N -3.03 0.57 0.00 0.17 7.27 -1.25 -5.02 117.38 116.09 1r6r n GLN 39 Ca -0.02 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1r6r n GLN 39 Cb 0.30 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.32 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 1.36 0.58 7.00 1.69 0.00 -0.94 -5.14 105.19 109.74 1r6r n GLY 40 Ca -0.41 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.03 1.61 3.00 -1.26 -4.71 116.66 115.33 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 -1.24 0.13 5.14 0.00 -1.26 -4.97 105.19 103.00 1r6r n GLY 42 Ca 0.00 0.27 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 0.36 -1.19 1.61 0.13 -2.02 -3.47 132.00 127.41 1r6r h PRO 43 Ca 0.00 -0.61 -0.32 0.00 -0.87 0.00 0.00 66.00 64.20 1r6r h PRO 43 Cb 0.00 0.23 -0.13 0.00 0.13 0.00 0.00 31.00 31.23 1r6r h PRO 43 CO 0.00 1.29 -0.29 -0.11 -0.23 0.00 0.00 178.00 178.66 1r6r n LEU 44 N -3.84 -1.12 0.06 1.56 0.00 -1.26 -4.78 117.00 107.62 1r6r n LEU 44 Ca -0.21 0.39 0.11 0.00 0.00 0.00 0.00 56.01 56.30 1r6r n LEU 44 Cb 0.97 -2.32 -0.01 0.00 0.00 0.00 0.00 43.42 42.06 1r6r n LEU 44 CO 0.49 -0.84 -0.09 2.29 0.00 0.00 0.00 177.39 179.24 1r6r n LYS 45 N -1.99 0.48 -0.44 1.96 2.85 -1.26 -4.27 118.16 115.49 1r6r n LYS 45 Ca -0.16 0.02 0.37 0.00 -1.05 0.00 0.00 58.31 57.49 1r6r n LYS 45 Cb 0.53 -1.69 0.65 0.00 -0.65 0.00 0.00 35.03 33.87 1r6r n LYS 45 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1r6r h LEU 46 N 0.00 0.25 0.05 -5.58 5.85 -1.99 0.73 115.31 114.61 1r6r h LEU 46 Ca 0.00 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1r6r h LEU 46 Cb 0.89 0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.06 1r6r h LEU 46 CO 0.00 -0.18 -0.46 0.15 -0.34 0.00 0.00 178.44 177.61 1r6r h PHE 47 N 0.09 0.37 0.25 1.25 3.57 -1.99 -2.59 116.94 117.89 1r6r h PHE 47 Ca 0.82 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 62.08 1r6r h PHE 47 Cb 2.56 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 41.26 1r6r h PHE 47 CO -0.01 1.11 -0.17 1.98 -2.23 0.00 0.00 178.31 178.99 1r6r h MET 48 N -0.47 -0.41 -0.60 1.11 4.05 -0.28 -1.68 114.93 116.66 1r6r h MET 48 Ca -0.07 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.46 1r6r h MET 48 Cb 1.27 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 32.10 1r6r h MET 48 CO 0.09 -0.27 0.26 0.00 0.23 0.00 0.00 176.91 177.21 1r6r h ALA 49 N 0.30 0.78 0.81 0.39 0.00 0.06 0.49 119.26 122.09 1r6r h ALA 49 Ca -0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1r6r h ALA 49 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r6r h ALA 49 CO 0.01 -0.13 -0.46 1.25 0.00 0.00 0.00 179.25 179.91 1r6r h LEU 50 N 0.47 -1.15 -1.62 0.00 5.85 -1.13 0.17 115.31 117.89 1r6r h LEU 50 Ca 0.29 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1r6r h LEU 50 Cb 0.30 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1r6r h LEU 50 CO -0.26 -0.73 0.08 0.58 -0.34 0.00 0.00 178.44 177.77 1r6r h VAL 51 N -1.18 1.10 -0.12 1.05 2.07 -1.13 -2.45 116.25 115.60 1r6r h VAL 51 Ca -0.11 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1r6r h VAL 51 Cb 0.93 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1r6r h VAL 51 CO 0.13 0.13 0.02 0.00 0.02 0.00 0.00 177.57 177.87 1r6r h ALA 52 N 1.77 0.16 0.07 1.67 0.00 0.35 0.43 119.26 123.69 1r6r h ALA 52 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1r6r h ALA 52 Cb 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1r6r h ALA 52 CO -0.01 -0.20 -0.39 0.35 0.00 0.00 0.00 179.25 179.00 1r6r h PHE 53 N -0.03 -1.10 -0.90 0.00 3.57 -0.23 0.56 116.94 118.81 1r6r h PHE 53 Ca 0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1r6r h PHE 53 Cb 0.28 0.47 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1r6r h PHE 53 CO 0.01 -0.49 0.59 -0.07 -2.23 0.00 0.00 178.31 176.13 1r6r h LEU 54 N -0.60 0.95 0.00 0.59 -0.00 -1.40 0.35 115.31 115.20 1r6r h LEU 54 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1r6r h LEU 54 Cb 0.65 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1r6r h LEU 54 CO -0.26 0.63 0.00 -1.14 -0.00 0.00 0.00 178.44 177.67 1r6r n ARG 55 N -4.46 0.33 -0.01 1.13 0.00 0.15 0.10 116.66 113.90 1r6r n ARG 55 Ca 0.13 0.09 0.10 0.00 -0.00 0.00 0.00 57.85 58.16 1r6r n ARG 55 Cb 0.14 -1.50 -0.15 0.00 0.00 0.00 0.00 32.46 30.95 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 -1.24 0.00 -0.08 -0.14 3.01 0.18 -4.34 117.46 114.85 1r6r n PHE 56 Ca 0.10 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.42 1r6r n PHE 56 Cb 0.14 -0.46 -0.07 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.20 2.24 0.00 4.37 4.77 -0.84 -4.90 117.00 120.45 1r6r n LEU 57 Ca -0.04 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1r6r n LEU 57 Cb 0.53 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1r6r n LEU 57 CO 0.41 0.60 0.00 0.41 -1.33 0.00 0.00 177.39 177.48 1r6r n THR 58 N -3.31 0.00 -3.42 -5.08 -1.04 -0.65 -5.07 114.28 95.71 1r6r n THR 58 Ca -0.31 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.53 1r6r n THR 58 Cb 0.78 0.96 0.02 0.00 -1.82 0.00 0.00 70.33 70.28 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 -7.45 -2.64 12.58 -0.00 0.29 -4.93 119.36 117.21 1r6r n ILE 59 Ca 0.00 -0.60 -0.37 0.00 -0.00 0.00 0.00 62.75 61.78 1r6r n ILE 59 Cb 0.00 -5.35 0.01 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 -2.90 4.57 -2.13 0.38 -0.04 -1.26 -4.94 135.00 128.68 1r6r n PRO 60 Ca -0.10 -4.60 -0.43 0.00 -0.04 0.00 0.00 63.50 58.33 1r6r n PRO 60 Cb 0.58 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 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 -4.07 3.53 1.29 0.54 0.04 -1.26 -4.98 135.00 130.09 1r6r s PRO 61 Ca 0.43 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 1r6r s PRO 61 Cb 0.24 -4.10 0.30 0.00 0.04 0.00 0.00 34.50 30.99 1r6r s PRO 61 CO -0.16 -1.62 0.78 -2.37 0.04 0.00 0.00 177.00 173.67 1r6r n THR 62 N 7.05 0.00 -0.21 1.26 5.66 -1.26 -4.77 114.28 122.01 1r6r n THR 62 Ca 0.20 -0.24 -0.01 0.00 -3.05 0.00 0.00 64.05 60.94 1r6r n THR 62 Cb 0.47 -0.91 0.10 0.00 -1.55 0.00 0.00 70.33 68.44 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 -3.05 0.83 -0.64 1.79 0.00 -0.43 -2.51 119.26 115.25 1r6r h ALA 63 Ca -0.50 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.50 1r6r h ALA 63 Cb 1.29 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1r6r h ALA 63 CO 0.35 -0.04 0.35 0.78 0.00 0.00 0.00 179.25 180.70 1r6r h GLY 64 N 0.58 0.92 0.41 0.00 0.00 -1.81 0.12 103.07 103.29 1r6r h GLY 64 Ca 0.29 -0.25 0.16 0.00 0.00 0.00 0.00 47.33 47.53 1r6r h GLY 64 CO -0.21 0.16 0.59 -2.22 0.00 0.00 0.00 176.54 174.86 1r6r h ILE 65 N 0.67 0.79 0.03 2.60 1.08 -1.76 0.72 117.51 121.64 1r6r h ILE 65 Ca 0.28 -0.23 -0.14 0.00 -0.39 0.00 0.00 64.86 64.38 1r6r h ILE 65 Cb 0.15 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 1r6r h ILE 65 CO -0.17 0.12 -0.73 -0.07 -0.69 0.00 0.00 178.15 176.62 1r6r h LEU 66 N 0.68 0.11 -1.06 1.44 -0.00 -1.38 -1.40 115.31 113.70 1r6r h LEU 66 Ca 0.48 -0.82 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 1r6r h LEU 66 Cb 0.82 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.39 1r6r h LEU 66 CO -0.24 1.30 0.63 0.11 -0.00 0.00 0.00 178.44 180.25 1r6r h LYS 67 N -0.81 1.19 0.00 1.13 1.79 -0.67 -0.98 116.57 118.22 1r6r h LYS 67 Ca -0.18 -0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 58.06 1r6r h LYS 67 Cb 1.30 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 1r6r h LYS 67 CO -0.04 0.79 -0.75 0.07 -1.08 0.00 0.00 179.45 178.44 1r6r h ARG 68 N 1.23 0.00 -1.06 3.15 0.11 0.32 -3.25 114.38 114.88 1r6r h ARG 68 Ca 0.38 0.00 0.29 0.00 0.10 0.00 0.00 59.98 60.74 1r6r h ARG 68 Cb -0.02 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 30.95 1r6r h ARG 68 CO -0.11 0.75 0.66 2.35 0.10 0.00 0.00 179.97 183.72 1r6r h TRP 69 N 0.00 0.76 -0.90 4.08 2.91 -0.00 0.14 115.95 122.94 1r6r h TRP 69 Ca -0.01 0.03 -0.52 0.00 1.13 0.00 0.00 58.89 59.52 1r6r h TRP 69 Cb 1.42 -0.21 -0.28 0.00 -0.51 0.00 0.00 29.16 29.57 1r6r h TRP 69 CO 0.00 0.01 0.56 0.41 -1.03 0.00 0.00 178.44 178.39 1r6r n GLY 70 N -1.42 5.05 0.64 2.65 0.00 -1.21 -4.36 105.19 106.55 1r6r n GLY 70 Ca 0.28 -1.54 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.06 0.00 0.00 2.61 5.66 0.47 -5.11 114.28 116.86 1r6r n THR 71 Ca 0.57 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.55 1r6r n THR 71 Cb 1.26 0.17 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 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 0.01 0.00 -0.01 1.09 -5.35 -1.05 -5.02 119.36 109.04 1r6r n ILE 72 Ca -0.07 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.41 1r6r n ILE 72 Cb 0.57 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 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 1.21 0.00 6.28 3.00 -1.26 -5.00 118.16 122.39 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 -1.02 0.00 0.00 0.00 0.00 0.00 35.03 34.01 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 -0.17 1.64 4.76 -1.26 -4.46 118.16 116.29 1r6r n LYS 74 Ca -0.02 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.34 1r6r n LYS 74 Cb 0.52 -0.06 0.01 0.00 -1.84 0.00 0.00 35.03 33.67 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 0.62 -0.02 4.39 4.64 -1.98 0.36 113.55 121.56 1r6r h SER 75 Ca 0.00 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 1r6r h SER 75 Cb 0.00 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1r6r h SER 75 CO 0.00 0.55 -0.59 0.50 -0.87 0.00 0.00 176.83 176.42 1r6r h LYS 76 N 0.65 0.44 0.57 4.77 1.63 -1.99 -2.16 116.57 120.47 1r6r h LYS 76 Ca 0.17 -0.44 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 1r6r h LYS 76 Cb 0.07 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1r6r h LYS 76 CO -0.03 1.09 -0.32 0.00 -3.45 0.00 0.00 179.45 176.74 1r6r h ALA 77 N 0.35 -0.84 -0.81 5.00 0.00 -1.85 0.40 119.26 121.51 1r6r h ALA 77 Ca -0.07 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1r6r h ALA 77 Cb 1.28 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1r6r h ALA 77 CO 0.12 -0.98 0.52 0.82 0.00 0.00 0.00 179.25 179.72 1r6r h ILE 78 N -0.84 1.13 -0.69 0.00 2.04 -0.39 0.14 117.51 118.91 1r6r h ILE 78 Ca -0.07 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1r6r h ILE 78 Cb 0.67 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1r6r h ILE 78 CO 0.09 0.19 0.22 0.78 0.00 0.00 0.00 178.15 179.43 1r6r h ASN 79 N 1.02 0.99 -0.36 1.72 2.35 -1.13 -1.27 115.58 118.90 1r6r h ASN 79 Ca 0.32 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1r6r h ASN 79 Cb -0.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1r6r h ASN 79 CO -0.11 0.92 0.19 0.58 -1.65 0.00 0.00 177.43 177.36 1r6r h VAL 80 N 1.02 1.15 -0.59 2.81 2.07 0.11 -1.96 116.25 120.86 1r6r h VAL 80 Ca 0.23 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1r6r h VAL 80 Cb 0.28 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1r6r h VAL 80 CO -0.01 0.15 0.39 -0.07 0.02 0.00 0.00 177.57 178.06 1r6r h LEU 81 N 0.45 0.68 -1.09 2.57 4.07 -0.27 0.21 115.31 121.94 1r6r h LEU 81 Ca 0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1r6r h LEU 81 Cb 0.08 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1r6r h LEU 81 CO -0.02 0.49 0.17 -0.09 -1.08 0.00 0.00 178.44 177.92 1r6r h ARG 82 N 0.80 0.82 0.00 1.13 9.65 -0.57 -1.10 114.38 125.12 1r6r h ARG 82 Ca 0.22 -0.15 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 1r6r h ARG 82 Cb -0.09 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.34 1r6r h ARG 82 CO -0.05 0.71 -0.66 0.78 2.80 0.00 0.00 179.97 183.56 1r6r h GLY 83 N 0.95 0.00 1.01 2.80 0.00 -0.29 -2.54 103.07 105.01 1r6r h GLY 83 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1r6r h GLY 83 CO -0.01 0.00 0.49 0.74 0.00 0.00 0.00 176.54 177.76 1r6r h PHE 84 N 0.00 1.08 -0.31 5.60 0.04 0.59 0.42 116.94 124.36 1r6r h PHE 84 Ca -0.01 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.58 1r6r h PHE 84 Cb 1.20 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 1r6r h PHE 84 CO 0.00 0.72 -0.50 -0.09 -0.60 0.00 0.00 178.31 177.85 1r6r h ARG 85 N 1.12 0.88 -0.43 1.51 1.12 -1.29 -1.58 114.38 115.72 1r6r h ARG 85 Ca 0.29 -0.53 -0.10 0.00 -1.11 0.00 0.00 59.98 58.52 1r6r h ARG 85 Cb -0.04 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 1r6r h ARG 85 CO -0.05 1.17 -0.16 -0.22 -3.11 0.00 0.00 179.97 177.60 1r6r h LYS 86 N 0.67 0.80 -0.44 0.20 1.63 -0.99 -1.66 116.57 116.78 1r6r h LYS 86 Ca 0.02 -0.29 -0.11 0.00 -0.85 0.00 0.00 60.65 59.42 1r6r h LYS 86 Cb 1.10 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 1r6r h LYS 86 CO 0.11 0.91 -0.16 0.93 -3.45 0.00 0.00 179.45 177.79 1r6r h GLU 87 N 0.71 0.84 -0.46 1.90 5.08 -0.09 -2.17 114.58 120.39 1r6r h GLU 87 Ca 0.11 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 1r6r h GLU 87 Cb 0.66 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1r6r h GLU 87 CO 0.05 0.94 -0.15 0.97 -1.00 0.00 0.00 179.01 179.82 1r6r h ILE 88 N 0.74 1.27 -0.70 3.13 6.09 -1.03 -1.58 117.51 125.43 1r6r h ILE 88 Ca 0.11 -1.27 -0.00 0.00 -1.37 0.00 0.00 64.86 62.33 1r6r h ILE 88 Cb 0.68 1.08 -0.03 0.00 0.47 0.00 0.00 36.82 39.01 1r6r h ILE 88 CO 0.05 0.43 0.42 1.23 -3.07 0.00 0.00 178.15 177.21 1r6r h GLY 89 N 0.96 1.01 1.30 8.18 0.00 -1.01 -1.15 103.07 112.35 1r6r h GLY 89 Ca 0.12 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1r6r h GLY 89 CO 0.05 0.40 -0.26 3.21 0.00 0.00 0.00 176.54 179.94 1r6r h ARG 90 N 0.96 0.79 -0.97 4.80 3.08 -0.87 -2.34 114.38 119.84 1r6r h ARG 90 Ca 0.25 -0.34 0.07 0.00 0.07 0.00 0.00 59.98 60.03 1r6r h ARG 90 Cb -0.04 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 1r6r h ARG 90 CO -0.05 0.96 0.63 1.98 -1.07 0.00 0.00 179.97 182.42 1r6r h MET 91 N 0.68 1.06 -0.51 0.04 4.05 -0.26 0.78 114.93 120.78 1r6r h MET 91 Ca 0.09 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1r6r h MET 91 Cb 0.79 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1r6r h MET 91 CO 0.07 0.70 0.15 -0.07 0.23 0.00 0.00 176.91 177.99 1r6r h LEU 92 N 1.09 0.75 -1.98 3.39 3.38 -1.04 0.10 115.31 121.00 1r6r h LEU 92 Ca 0.43 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.31 1r6r h LEU 92 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1r6r h LEU 92 CO -0.18 0.76 0.44 -1.13 0.09 0.00 0.00 178.44 178.42 1r6r h ASN 93 N 0.69 0.00 0.31 -0.43 -0.73 -0.35 0.61 115.58 115.69 1r6r h ASN 93 Ca 0.16 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.00 1r6r h ASN 93 Cb 0.29 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1r6r h ASN 93 CO -0.00 0.00 -1.72 0.40 -0.37 0.00 0.00 177.43 175.74 1r6r h ILE 94 N 0.00 0.95 -0.58 2.57 2.04 -0.06 -3.32 117.51 119.11 1r6r h ILE 94 Ca 0.20 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1r6r h ILE 94 Cb 1.08 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1r6r h ILE 94 CO -0.00 0.82 0.00 0.00 0.00 0.00 0.00 178.15 178.97 1r6r n LEU 95 N -3.46 5.51 0.00 1.44 -0.00 0.58 -4.19 117.00 116.88 1r6r n LEU 95 Ca -0.22 -2.80 0.00 0.00 -0.00 0.00 0.00 56.01 52.99 1r6r n LEU 95 Cb 1.06 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1r6r n LEU 95 CO 0.49 0.65 -0.45 0.59 -0.00 0.00 0.00 177.39 178.66 1r6r n ASN 96 N 0.69 4.49 0.00 1.45 3.02 0.18 -4.60 115.26 120.49 1r6r n ASN 96 Ca 0.27 -0.05 0.14 0.00 -0.03 0.00 0.00 54.58 54.91 1r6r n ASN 96 Cb 1.14 1.00 0.79 0.00 -0.61 0.00 0.00 39.78 42.10 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 -1.45 0.67 0.25 3.52 0.63 -1.25 -3.62 116.66 115.42 1r6r n ARG 97 Ca 0.00 0.01 0.18 0.00 -0.92 0.00 0.00 57.85 57.12 1r6r n ARG 97 Cb 0.00 -1.50 0.88 0.00 0.45 0.00 0.00 32.46 32.29 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 -3.44 114.38 109.09 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 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 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 -3.48 0.00 0.00 0.08 0.63 -1.24 -5.23 116.66 107.42 1r6r n ARG 99 Ca 0.01 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.98 1r6r n ARG 99 Cb 0.32 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.27 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01