#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 -5.70 0.00 1.20 1.74 -1.26 -4.65 116.66 107.99 1r6r n ARG 22 Ca 0.00 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1r6r n ARG 22 Cb 0.00 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 25.86 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 -4.64 0.00 0.22 1.55 3.14 -1.26 0.32 118.33 117.66 1r6r n VAL 23 Ca 0.01 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1r6r n VAL 23 Cb 0.55 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 33.47 1r6r n VAL 23 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1r6r n SER 24 N 0.00 2.99 -0.11 6.55 3.41 -1.26 -4.05 113.62 121.15 1r6r n SER 24 Ca 0.00 -2.43 -0.21 0.00 -0.26 0.00 0.00 58.87 55.97 1r6r n SER 24 Cb 0.00 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 1r6r n SER 24 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1r6r n THR 25 N 0.15 1.17 0.30 6.66 -1.04 -1.26 -4.41 114.28 115.85 1r6r n THR 25 Ca 0.14 -0.34 0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1r6r n THR 25 Cb 0.71 -1.63 0.46 0.00 -1.82 0.00 0.00 70.33 68.05 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 -3.72 1.01 -0.29 12.58 3.14 -1.26 -2.92 118.33 126.87 1r6r n VAL 26 Ca -0.40 0.42 0.20 0.00 -2.96 0.00 0.00 64.34 61.59 1r6r n VAL 26 Cb 0.82 -1.36 0.48 0.00 -1.06 0.00 0.00 33.84 32.72 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 0.44 -1.00 1.45 1.08 -1.77 -0.64 115.11 114.67 1r6r h GLN 27 Ca 0.00 -0.03 0.19 0.00 -1.45 0.00 0.00 58.65 57.36 1r6r h GLN 27 Cb 0.21 -0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.43 1r6r h GLN 27 CO 0.00 0.29 0.61 -0.56 -0.95 0.00 0.00 178.83 178.23 1r6r h GLN 28 N 0.46 0.75 0.01 1.46 -0.00 -1.84 0.69 115.11 116.64 1r6r h GLN 28 Ca 0.54 -0.04 -0.25 0.00 -0.00 0.00 0.00 58.65 58.89 1r6r h GLN 28 Cb 1.27 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.48 28.54 1r6r h GLN 28 CO -0.25 0.49 -1.30 1.37 -0.00 0.00 0.00 178.83 179.15 1r6r h LEU 29 N 0.77 0.02 -0.77 0.06 8.10 -1.40 -1.73 115.31 120.36 1r6r h LEU 29 Ca 0.57 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.53 1r6r h LEU 29 Cb 0.88 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 41.10 1r6r h LEU 29 CO -0.36 1.02 0.00 0.41 -4.11 0.00 0.00 178.44 175.40 1r6r n THR 30 N -3.24 0.91 -0.01 0.15 -1.04 0.02 -1.57 114.28 109.51 1r6r n THR 30 Ca -0.07 0.33 0.02 0.00 -2.04 0.00 0.00 64.05 62.29 1r6r n THR 30 Cb 0.99 -1.27 -0.05 0.00 -1.82 0.00 0.00 70.33 68.18 1r6r n THR 30 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1r6r n LYS 31 N -2.17 0.92 0.07 -2.82 2.85 0.02 -4.60 118.16 112.42 1r6r n LYS 31 Ca 0.01 -0.04 0.12 0.00 -1.05 0.00 0.00 58.31 57.35 1r6r n LYS 31 Cb 0.18 -1.14 0.10 0.00 -0.65 0.00 0.00 35.03 33.51 1r6r n LYS 31 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1r6r h ARG 32 N 0.00 0.00 -0.39 -1.58 2.43 -1.16 -3.33 114.38 110.35 1r6r h ARG 32 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1r6r h ARG 32 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1r6r h ARG 32 CO 0.00 0.00 0.00 1.97 -1.51 0.00 0.00 179.97 180.43 1r6r n PHE 33 N -2.25 0.46 1.03 2.20 -1.74 -0.61 -3.72 117.46 112.83 1r6r n PHE 33 Ca 0.02 -0.21 0.11 0.00 -0.56 0.00 0.00 57.45 56.81 1r6r n PHE 33 Cb 0.47 -0.05 0.03 0.00 1.52 0.00 0.00 39.48 41.46 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 0.31 1.21 -0.04 5.98 7.64 -1.25 -4.23 113.62 123.24 1r6r n SER 34 Ca 0.10 -1.01 -0.00 0.00 1.01 0.00 0.00 58.87 58.96 1r6r n SER 34 Cb 0.31 0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 64.02 1r6r n SER 34 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1r6r n LEU 35 N -0.98 0.00 0.00 -3.43 4.32 -1.24 -5.00 117.00 110.67 1r6r n LEU 35 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1r6r n LEU 35 Cb 0.37 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1r6r n LEU 35 CO 0.35 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 1r6r n GLY 36 N 1.93 5.20 4.84 -0.72 0.00 -1.26 -4.87 105.19 110.31 1r6r n GLY 36 Ca -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 0.33 1.61 0.00 -1.26 -4.66 117.12 113.14 1r6r n MET 37 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 57.70 57.91 1r6r n MET 37 Cb 0.00 -3.37 1.13 0.00 0.00 0.00 0.00 33.22 30.97 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 -2.96 -0.89 -0.00 -1.89 -0.82 115.31 108.75 1r6r h LEU 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1r6r h LEU 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1r6r h LEU 38 CO 0.00 0.00 -0.01 1.67 -0.00 0.00 0.00 178.44 180.10 1r6r n GLN 39 N -3.23 1.56 -0.10 0.17 0.00 -1.26 -4.93 117.38 109.58 1r6r n GLN 39 Ca -0.03 -2.33 0.00 0.00 -0.00 0.00 0.00 57.00 54.64 1r6r n GLN 39 Cb 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 28.96 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r6r n GLY 40 N -1.22 0.63 6.80 1.69 0.00 -0.31 -4.90 105.19 107.88 1r6r n GLY 40 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.00 0.00 1.61 3.00 -1.26 -4.43 116.66 113.59 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 -1.78 0.10 5.14 0.00 -1.26 -4.93 105.19 102.45 1r6r n GLY 42 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.33 1.61 0.13 -2.03 -3.48 132.00 126.90 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 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 1r6r h PRO 43 CO 0.00 0.94 -0.33 -0.11 -0.23 0.00 0.00 178.00 178.27 1r6r n LEU 44 N -4.47 -1.30 0.02 1.56 7.94 -1.26 -4.79 117.00 114.70 1r6r n LEU 44 Ca -0.28 0.41 0.06 0.00 -1.11 0.00 0.00 56.01 55.09 1r6r n LEU 44 Cb 0.63 -2.50 -0.10 0.00 0.53 0.00 0.00 43.42 41.98 1r6r n LEU 44 CO 0.20 -0.86 -0.48 2.29 -1.11 0.00 0.00 177.39 177.43 1r6r n LYS 45 N -2.22 0.64 -0.44 1.96 2.85 -1.26 -4.23 118.16 115.46 1r6r n LYS 45 Ca -0.18 0.01 0.37 0.00 -1.05 0.00 0.00 58.31 57.47 1r6r n LYS 45 Cb 0.58 -1.67 0.69 0.00 -0.65 0.00 0.00 35.03 33.98 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 0.16 0.14 -5.58 5.85 -1.99 0.73 115.31 114.62 1r6r h LEU 46 Ca -0.10 0.06 -0.24 0.00 0.84 0.00 0.00 57.88 58.43 1r6r h LEU 46 Cb 1.29 0.04 0.03 0.00 0.37 0.00 0.00 40.66 42.39 1r6r h LEU 46 CO 0.01 -0.04 -1.04 0.15 -0.34 0.00 0.00 178.44 177.18 1r6r h PHE 47 N 0.10 0.78 0.03 1.25 3.57 -1.98 -2.58 116.94 118.10 1r6r h PHE 47 Ca 0.73 -0.52 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1r6r h PHE 47 Cb 2.54 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 41.23 1r6r h PHE 47 CO -0.00 1.39 -0.02 1.98 -2.23 0.00 0.00 178.31 179.43 1r6r h MET 48 N -0.05 -0.04 -0.30 1.11 4.05 -0.27 -2.43 114.93 117.00 1r6r h MET 48 Ca -0.17 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.29 1r6r h MET 48 Cb 1.78 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.55 1r6r h MET 48 CO 0.20 0.31 0.07 0.00 0.23 0.00 0.00 176.91 177.71 1r6r h ALA 49 N 0.55 0.32 0.76 0.39 0.00 0.05 0.50 119.26 121.82 1r6r h ALA 49 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1r6r h ALA 49 Cb 0.37 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r6r h ALA 49 CO 0.01 -0.34 -0.48 1.25 0.00 0.00 0.00 179.25 179.69 1r6r h LEU 50 N 0.18 -1.21 -1.65 0.00 5.85 -1.46 0.15 115.31 117.18 1r6r h LEU 50 Ca 0.14 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1r6r h LEU 50 Cb 0.14 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1r6r h LEU 50 CO -0.17 -0.73 -0.04 0.58 -0.34 0.00 0.00 178.44 177.74 1r6r h VAL 51 N -1.16 1.11 0.15 1.05 2.07 -1.34 -2.54 116.25 115.59 1r6r h VAL 51 Ca -0.10 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1r6r h VAL 51 Cb 0.93 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1r6r h VAL 51 CO 0.09 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 177.75 1r6r h ALA 52 N 1.80 -0.20 -0.11 1.67 0.00 0.45 0.45 119.26 123.32 1r6r h ALA 52 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1r6r h ALA 52 Cb 0.19 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1r6r h ALA 52 CO 0.01 -0.48 -0.42 0.35 0.00 0.00 0.00 179.25 178.71 1r6r h PHE 53 N -0.47 -1.21 -0.98 0.00 3.57 -0.42 0.57 116.94 118.00 1r6r h PHE 53 Ca -0.02 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1r6r h PHE 53 Cb 0.37 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 1r6r h PHE 53 CO 0.01 -0.48 0.65 -0.07 -2.23 0.00 0.00 178.31 176.19 1r6r h LEU 54 N -0.51 1.09 0.00 0.59 -0.00 -1.44 0.13 115.31 115.18 1r6r h LEU 54 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1r6r h LEU 54 Cb 0.63 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1r6r h LEU 54 CO -0.39 0.77 0.00 -1.14 -0.00 0.00 0.00 178.44 177.68 1r6r n ARG 55 N -4.41 0.49 -0.02 1.13 0.00 0.16 0.13 116.66 114.13 1r6r n ARG 55 Ca 0.12 0.04 0.05 0.00 -0.00 0.00 0.00 57.85 58.07 1r6r n ARG 55 Cb 0.06 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.89 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 -1.12 0.00 -0.08 -0.14 3.01 0.18 -4.40 117.46 114.91 1r6r n PHE 56 Ca 0.13 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.47 1r6r n PHE 56 Cb 0.11 -0.46 -0.07 0.00 -0.01 0.00 0.00 39.48 39.05 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 -2.18 2.77 0.00 4.37 4.77 -0.87 -4.89 117.00 120.97 1r6r n LEU 57 Ca -0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1r6r n LEU 57 Cb 0.55 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1r6r n LEU 57 CO 0.35 0.72 -0.00 0.41 -1.33 0.00 0.00 177.39 177.53 1r6r n THR 58 N -3.05 0.00 -3.47 -5.08 -1.04 -0.73 -5.07 114.28 95.84 1r6r n THR 58 Ca -0.28 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.05 61.50 1r6r n THR 58 Cb 0.79 0.67 0.04 0.00 -1.82 0.00 0.00 70.33 70.01 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 -0.03 -7.38 -2.83 12.58 -0.00 0.34 -4.93 119.36 117.11 1r6r n ILE 59 Ca 0.00 -0.94 -0.37 0.00 -0.00 0.00 0.00 62.75 61.43 1r6r n ILE 59 Cb 0.00 -5.32 -0.00 0.00 -0.00 0.00 0.00 39.64 34.31 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 -3.46 4.61 -2.10 0.38 -0.04 -1.26 -4.94 135.00 128.19 1r6r n PRO 60 Ca -0.09 -4.69 -0.43 0.00 -0.04 0.00 0.00 63.50 58.26 1r6r n PRO 60 Cb 0.59 -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 -3.73 3.79 1.14 0.54 0.04 -1.26 -4.98 135.00 130.54 1r6r s PRO 61 Ca 0.40 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 1r6r s PRO 61 Cb 0.18 -4.04 0.23 0.00 0.04 0.00 0.00 34.50 30.91 1r6r s PRO 61 CO -0.08 -1.30 0.78 -2.37 0.04 0.00 0.00 177.00 174.07 1r6r n THR 62 N 6.41 0.00 -0.36 1.26 5.66 -1.26 -4.81 114.28 121.17 1r6r n THR 62 Ca 0.19 -0.38 0.08 0.00 -3.05 0.00 0.00 64.05 60.89 1r6r n THR 62 Cb 0.45 -0.90 0.25 0.00 -1.55 0.00 0.00 70.33 68.58 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 -2.47 1.53 -0.20 1.79 0.00 -0.45 -2.43 119.26 117.03 1r6r h ALA 63 Ca -0.58 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1r6r h ALA 63 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1r6r h ALA 63 CO 0.46 0.20 0.13 0.78 0.00 0.00 0.00 179.25 180.81 1r6r h GLY 64 N 0.97 0.28 -0.19 0.00 0.00 -1.84 -1.76 103.07 100.53 1r6r h GLY 64 Ca 0.51 -0.10 0.28 0.00 0.00 0.00 0.00 47.33 48.02 1r6r h GLY 64 CO -0.28 0.09 0.68 -2.22 0.00 0.00 0.00 176.54 174.81 1r6r h ILE 65 N 0.26 0.50 0.00 2.60 1.08 -1.75 0.62 117.51 120.82 1r6r h ILE 65 Ca 0.08 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1r6r h ILE 65 Cb -0.02 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 33.81 1r6r h ILE 65 CO -0.02 0.07 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.27 1r6r h LEU 66 N 0.38 0.00 -1.23 1.44 -0.00 -1.50 -1.61 115.31 112.79 1r6r h LEU 66 Ca 0.61 -0.49 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 1r6r h LEU 66 Cb 1.56 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.16 1r6r h LEU 66 CO -0.31 0.84 0.56 0.11 -0.00 0.00 0.00 178.44 179.64 1r6r h LYS 67 N -1.00 0.84 0.00 1.13 1.79 -0.82 -0.27 116.57 118.24 1r6r h LYS 67 Ca -0.03 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.20 1r6r h LYS 67 Cb 0.61 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1r6r h LYS 67 CO -0.02 0.56 -0.86 0.07 -1.08 0.00 0.00 179.45 178.11 1r6r h ARG 68 N 0.87 0.03 -1.08 3.15 0.11 0.10 -3.27 114.38 114.29 1r6r h ARG 68 Ca 0.40 -0.04 0.29 0.00 0.10 0.00 0.00 59.98 60.73 1r6r h ARG 68 Cb 0.38 0.01 -0.10 0.00 1.11 0.00 0.00 29.97 31.38 1r6r h ARG 68 CO -0.16 0.87 0.69 2.35 0.10 0.00 0.00 179.97 183.82 1r6r h TRP 69 N 0.02 0.63 -1.21 4.08 -0.00 -0.00 -1.22 115.95 118.25 1r6r h TRP 69 Ca -0.02 0.02 -0.65 0.00 -0.00 0.00 0.00 58.89 58.25 1r6r h TRP 69 Cb 1.52 -0.18 -0.35 0.00 -0.00 0.00 0.00 29.16 30.15 1r6r h TRP 69 CO 0.01 0.02 0.17 0.41 -0.00 0.00 0.00 178.44 179.04 1r6r n GLY 70 N -1.48 5.98 0.68 2.65 0.00 -1.21 -4.50 105.19 107.31 1r6r n GLY 70 Ca 0.27 -2.52 -0.03 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.71 0.00 0.00 2.61 5.66 -0.47 -5.11 114.28 116.26 1r6r n THR 71 Ca 0.52 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 1r6r n THR 71 Cb 0.67 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 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 -0.01 1.09 -5.35 -1.17 -5.02 119.36 108.90 1r6r n ILE 72 Ca -0.13 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.35 1r6r n ILE 72 Cb 0.46 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.35 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 2.48 0.00 6.28 3.00 -1.26 -5.00 118.16 123.66 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 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.00 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 -2.22 0.00 -0.23 1.64 4.76 -1.26 -4.47 118.16 116.38 1r6r n LYS 74 Ca -0.02 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.37 1r6r n LYS 74 Cb 0.54 -0.03 0.05 0.00 -1.84 0.00 0.00 35.03 33.76 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 0.70 -0.01 4.39 4.64 -1.98 0.49 113.55 121.78 1r6r h SER 75 Ca 0.00 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 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 0.50 -0.50 0.50 -0.87 0.00 0.00 176.83 176.45 1r6r h LYS 76 N 0.83 0.35 0.40 4.77 1.63 -1.99 -2.01 116.57 120.55 1r6r h LYS 76 Ca 0.25 -0.37 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1r6r h LYS 76 Cb -0.04 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1r6r h LYS 76 CO -0.08 1.05 -0.19 0.00 -3.45 0.00 0.00 179.45 176.78 1r6r h ALA 77 N 0.31 -0.54 -0.72 5.00 0.00 -1.84 0.39 119.26 121.87 1r6r h ALA 77 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r6r h ALA 77 Cb 1.22 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1r6r h ALA 77 CO 0.10 -0.80 0.47 0.82 0.00 0.00 0.00 179.25 179.84 1r6r h ILE 78 N -0.54 1.17 -0.75 0.00 2.04 -0.13 -0.12 117.51 119.18 1r6r h ILE 78 Ca -0.05 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1r6r h ILE 78 Cb 0.41 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1r6r h ILE 78 CO 0.09 0.17 0.28 0.78 0.00 0.00 0.00 178.15 179.47 1r6r h ASN 79 N 0.95 1.05 -0.06 1.72 2.35 -1.11 -1.77 115.58 118.72 1r6r h ASN 79 Ca 0.27 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1r6r h ASN 79 Cb -0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.00 1r6r h ASN 79 CO -0.07 0.95 -0.01 0.58 -1.65 0.00 0.00 177.43 177.24 1r6r h VAL 80 N 1.10 0.95 -0.58 2.81 2.07 0.74 -1.02 116.25 122.32 1r6r h VAL 80 Ca 0.25 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.86 1r6r h VAL 80 Cb 0.24 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1r6r h VAL 80 CO -0.02 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.89 1r6r h LEU 81 N 0.01 0.34 -0.94 2.57 4.07 -0.66 0.33 115.31 121.05 1r6r h LEU 81 Ca 0.03 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 1r6r h LEU 81 Cb 0.04 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1r6r h LEU 81 CO -0.05 0.21 -0.04 -0.09 -1.08 0.00 0.00 178.44 177.39 1r6r h ARG 82 N 0.38 0.73 -0.02 1.13 9.65 -0.34 -1.68 114.38 124.24 1r6r h ARG 82 Ca 0.27 -0.21 -0.13 0.00 -1.10 0.00 0.00 59.98 58.81 1r6r h ARG 82 Cb 0.54 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1r6r h ARG 82 CO -0.07 0.77 -0.61 0.78 2.80 0.00 0.00 179.97 183.64 1r6r h GLY 83 N 0.96 0.06 1.00 2.80 0.00 0.46 -2.52 103.07 105.83 1r6r h GLY 83 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1r6r h GLY 83 CO 0.02 0.07 0.23 0.74 0.00 0.00 0.00 176.54 177.60 1r6r h PHE 84 N 0.04 0.44 -0.23 5.60 -1.00 0.04 0.44 116.94 122.27 1r6r h PHE 84 Ca -0.01 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1r6r h PHE 84 Cb 1.08 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 1r6r h PHE 84 CO 0.01 0.28 0.11 -0.09 -1.61 0.00 0.00 178.31 177.01 1r6r h ARG 85 N 0.47 0.33 -0.65 1.51 1.12 -1.30 0.37 114.38 116.23 1r6r h ARG 85 Ca 0.13 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1r6r h ARG 85 Cb -0.05 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 29.82 1r6r h ARG 85 CO -0.03 0.34 0.42 0.87 -3.11 0.00 0.00 179.97 178.46 1r6r h LYS 86 N 0.24 0.87 -0.20 0.20 6.56 -1.02 0.16 116.57 123.37 1r6r h LYS 86 Ca 0.08 -0.06 -0.18 0.00 -1.06 0.00 0.00 60.65 59.42 1r6r h LYS 86 Cb 0.12 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1r6r h LYS 86 CO -0.01 0.59 -0.62 0.93 -2.06 0.00 0.00 179.45 178.28 1r6r h GLU 87 N 0.89 0.70 -0.49 3.15 4.39 0.48 -1.79 114.58 121.92 1r6r h GLU 87 Ca 0.24 -0.48 -0.12 0.00 0.34 0.00 0.00 59.36 59.33 1r6r h GLU 87 Cb -0.08 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1r6r h GLU 87 CO -0.05 1.10 -0.17 0.97 -1.16 0.00 0.00 179.01 179.70 1r6r h ILE 88 N 0.52 1.27 -0.42 3.13 6.09 0.57 -0.14 117.51 128.54 1r6r h ILE 88 Ca -0.01 -1.33 -0.04 0.00 -1.37 0.00 0.00 64.86 62.11 1r6r h ILE 88 Cb 1.20 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 39.57 1r6r h ILE 88 CO 0.12 0.46 0.08 1.23 -3.07 0.00 0.00 178.15 176.98 1r6r h GLY 89 N 0.84 0.67 1.50 8.18 0.00 -0.65 -1.19 103.07 112.41 1r6r h GLY 89 Ca 0.12 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1r6r h GLY 89 CO 0.06 0.35 -0.35 3.21 0.00 0.00 0.00 176.54 179.80 1r6r h ARG 90 N 0.61 0.56 -0.99 4.80 3.08 -0.81 -2.34 114.38 119.29 1r6r h ARG 90 Ca 0.14 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.98 1r6r h ARG 90 Cb 0.26 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1r6r h ARG 90 CO 0.00 0.84 0.64 1.98 -1.07 0.00 0.00 179.97 182.35 1r6r h MET 91 N 0.47 1.15 -0.54 0.04 4.05 0.19 0.11 114.93 120.41 1r6r h MET 91 Ca 0.05 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1r6r h MET 91 Cb 0.84 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1r6r h MET 91 CO 0.07 0.76 0.17 -0.07 0.23 0.00 0.00 176.91 178.07 1r6r h LEU 92 N 1.19 0.79 -2.05 3.39 3.38 -1.07 0.94 115.31 121.88 1r6r h LEU 92 Ca 0.41 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1r6r h LEU 92 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1r6r h LEU 92 CO -0.16 0.79 0.37 -1.13 0.09 0.00 0.00 178.44 178.41 1r6r h ASN 93 N 0.75 0.00 0.20 -0.43 -0.73 -0.49 0.44 115.58 115.32 1r6r h ASN 93 Ca 0.17 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.99 1r6r h ASN 93 Cb 0.29 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.89 1r6r h ASN 93 CO -0.00 0.00 -1.71 0.40 -0.37 0.00 0.00 177.43 175.74 1r6r h ILE 94 N 0.00 0.99 -0.44 2.57 2.04 0.06 -3.34 117.51 119.39 1r6r h ILE 94 Ca 0.17 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1r6r h ILE 94 Cb 0.91 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1r6r h ILE 94 CO -0.00 0.85 0.00 0.00 0.00 0.00 0.00 178.15 179.00 1r6r n LEU 95 N -3.62 3.33 -0.20 1.44 -0.00 0.18 -3.80 117.00 114.33 1r6r n LEU 95 Ca -0.24 -1.68 0.02 0.00 -0.00 0.00 0.00 56.01 54.12 1r6r n LEU 95 Cb 1.08 -0.46 0.03 0.00 -0.00 0.00 0.00 43.42 44.07 1r6r n LEU 95 CO 0.53 0.59 0.36 0.59 -0.00 0.00 0.00 177.39 179.46 1r6r n ASN 96 N 0.71 1.55 -0.79 1.45 3.02 0.13 -4.54 115.26 116.78 1r6r n ASN 96 Ca 0.17 -1.32 0.07 0.00 -0.03 0.00 0.00 54.58 53.48 1r6r n ASN 96 Cb 0.63 -0.02 0.22 0.00 -0.61 0.00 0.00 39.78 40.00 1r6r n ASN 96 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r6r n ARG 97 N 0.21 2.92 0.23 3.52 1.74 -1.25 -4.60 116.66 119.42 1r6r n ARG 97 Ca 0.03 -2.53 0.07 0.00 -0.77 0.00 0.00 57.85 54.65 1r6r n ARG 97 Cb 0.15 -1.62 0.55 0.00 -1.02 0.00 0.00 32.46 30.51 1r6r n ARG 97 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1r6r h ARG 98 N 1.88 0.00 -2.23 5.56 0.11 -1.80 -3.45 114.38 114.45 1r6r h ARG 98 Ca 0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 1r6r h ARG 98 Cb 1.17 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.17 1r6r h ARG 98 CO 0.14 0.20 -0.30 -2.13 0.10 0.00 0.00 179.97 177.97 1r6r n ARG 99 N -4.08 -1.62 0.00 0.08 0.63 -1.26 -5.23 116.66 105.18 1r6r n ARG 99 Ca -0.02 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 1r6r n ARG 99 Cb 0.27 -5.18 0.00 0.00 0.45 0.00 0.00 32.46 28.00 1r6r n ARG 99 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99