#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 -2.81 0.00 1.20 5.12 -1.26 -4.41 116.66 114.50 1r6r n ARG 22 Ca 0.00 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1r6r n ARG 22 Cb 0.00 -5.35 0.00 0.00 -1.16 0.00 0.00 32.46 25.95 1r6r n ARG 22 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1r6r n VAL 23 N -3.76 0.00 0.67 1.55 3.14 -1.26 0.88 118.33 119.54 1r6r n VAL 23 Ca -0.13 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.30 1r6r n VAL 23 Cb 0.61 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 33.54 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 -0.11 2.24 -0.09 6.55 3.41 -1.26 -3.99 113.62 120.36 1r6r n SER 24 Ca 0.00 -2.16 -0.13 0.00 -0.26 0.00 0.00 58.87 56.33 1r6r n SER 24 Cb 0.00 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 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 0.38 1.07 0.74 6.66 -1.04 -1.26 -4.38 114.28 116.45 1r6r n THR 25 Ca 0.11 -0.42 0.09 0.00 -2.04 0.00 0.00 64.05 61.79 1r6r n THR 25 Cb 0.42 -1.14 0.42 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.61 -0.35 12.58 3.14 -1.26 -3.25 118.33 126.78 1r6r n VAL 26 Ca -0.33 0.15 -0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1r6r n VAL 26 Cb 0.86 -0.86 0.13 0.00 -1.06 0.00 0.00 33.84 32.91 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 1.17 -0.45 1.45 1.08 -1.77 -1.98 115.11 114.62 1r6r h GLN 27 Ca 0.00 -0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.22 1r6r h GLN 27 Cb 0.22 -0.26 -0.08 0.00 -0.05 0.00 0.00 27.48 27.31 1r6r h GLN 27 CO 0.00 0.78 -0.06 -0.56 -0.95 0.00 0.00 178.83 178.04 1r6r h GLN 28 N 1.21 0.05 0.00 1.46 -0.00 -1.85 -0.54 115.11 115.44 1r6r h GLN 28 Ca 0.38 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.94 1r6r h GLN 28 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 1r6r h GLN 28 CO -0.12 0.03 -0.42 1.37 -0.00 0.00 0.00 178.83 179.69 1r6r h LEU 29 N 0.05 0.00 -1.51 0.06 8.10 -1.76 -1.57 115.31 118.68 1r6r h LEU 29 Ca 0.22 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.16 1r6r h LEU 29 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1r6r h LEU 29 CO -0.42 0.42 -0.22 0.74 -4.11 0.00 0.00 178.44 174.84 1r6r h THR 30 N 0.00 1.17 0.00 0.15 2.02 -0.36 0.22 112.91 116.11 1r6r h THR 30 Ca -0.00 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.31 1r6r h THR 30 Cb 1.13 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1r6r h THR 30 CO 0.05 0.23 -2.03 2.29 0.37 0.00 0.00 175.52 176.44 1r6r n LYS 31 N -4.26 0.66 0.06 6.66 2.85 -0.69 -4.23 118.16 119.21 1r6r n LYS 31 Ca -0.02 -0.16 -0.03 0.00 -1.05 0.00 0.00 58.31 57.05 1r6r n LYS 31 Cb 0.29 -1.53 -0.07 0.00 -0.65 0.00 0.00 35.03 33.06 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 -0.41 -1.58 2.43 -1.06 -3.27 114.38 110.49 1r6r h ARG 32 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1r6r h ARG 32 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1r6r h ARG 32 CO 0.01 0.60 0.00 1.97 -1.51 0.00 0.00 179.97 181.03 1r6r n PHE 33 N -3.15 0.54 -0.39 2.20 -1.74 0.05 -4.03 117.46 110.94 1r6r n PHE 33 Ca -0.05 -0.26 -0.07 0.00 -0.56 0.00 0.00 57.45 56.52 1r6r n PHE 33 Cb 0.88 -0.02 0.19 0.00 1.52 0.00 0.00 39.48 42.05 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 0.59 3.82 -0.00 5.98 7.64 -1.24 -3.55 113.62 126.86 1r6r n SER 34 Ca 0.13 -2.87 0.04 0.00 1.01 0.00 0.00 58.87 57.18 1r6r n SER 34 Cb 0.35 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.13 0.28 0.00 -3.43 4.77 -1.26 -4.95 117.00 112.27 1r6r n LEU 35 Ca 0.30 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1r6r n LEU 35 Cb 1.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1r6r n LEU 35 CO 0.32 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1r6r n GLY 36 N 1.47 0.06 0.24 -0.72 0.00 -1.25 -5.05 105.19 99.93 1r6r n GLY 36 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.55 0.00 1.61 4.05 -1.90 -2.85 114.93 115.28 1r6r h MET 37 Ca 0.00 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1r6r h MET 37 Cb 0.00 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1r6r h MET 37 CO 0.00 -0.36 0.00 1.47 0.23 0.00 0.00 176.91 178.25 1r6r n LEU 38 N -4.52 0.00 0.03 3.39 -0.00 -1.26 -2.53 117.00 112.11 1r6r n LEU 38 Ca -0.07 0.07 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 1r6r n LEU 38 Cb 0.22 -0.07 -0.14 0.00 -0.00 0.00 0.00 43.42 43.43 1r6r n LEU 38 CO 0.17 -0.05 -0.70 -0.61 -0.00 0.00 0.00 177.39 176.21 1r6r h GLN 39 N 0.00 0.30 0.00 1.47 4.15 -1.92 -3.49 115.11 115.62 1r6r h GLN 39 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1r6r h GLN 39 Cb 0.03 0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1r6r h GLN 39 CO 0.00 1.22 0.00 0.41 -1.93 0.00 0.00 178.83 178.53 1r6r n GLY 40 N 1.93 -1.93 7.00 2.39 0.00 -1.05 -5.15 105.19 108.39 1r6r n GLY 40 Ca -0.29 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.25 0.00 0.00 1.61 3.00 -1.19 -4.85 116.66 112.99 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 -0.68 0.10 5.14 0.00 -1.26 -4.99 105.19 103.50 1r6r n GLY 42 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 0.05 -0.64 1.61 0.13 -2.00 -3.47 132.00 127.68 1r6r h PRO 43 Ca 0.00 -0.08 -0.20 0.00 -0.87 0.00 0.00 66.00 64.85 1r6r h PRO 43 Cb 0.00 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.08 1r6r h PRO 43 CO 0.00 1.04 -0.18 -0.11 -0.23 0.00 0.00 178.00 178.52 1r6r n LEU 44 N -4.34 -0.33 -0.00 1.56 0.00 -1.26 -4.77 117.00 107.85 1r6r n LEU 44 Ca -0.27 0.24 -0.09 0.00 0.00 0.00 0.00 56.01 55.89 1r6r n LEU 44 Cb 0.70 -2.37 -0.14 0.00 0.00 0.00 0.00 43.42 41.61 1r6r n LEU 44 CO 0.26 -0.89 -0.41 0.07 0.00 0.00 0.00 177.39 176.41 1r6r h LYS 45 N 0.00 0.02 -0.71 1.96 2.10 -1.92 -3.38 116.57 114.64 1r6r h LYS 45 Ca -0.20 -0.03 0.24 0.00 -2.00 0.00 0.00 60.65 58.67 1r6r h LYS 45 Cb 1.02 0.01 -0.13 0.00 -0.90 0.00 0.00 32.23 32.23 1r6r h LYS 45 CO 0.29 0.62 0.18 1.28 -2.00 0.00 0.00 179.45 179.82 1r6r n LEU 46 N -3.12 0.07 -0.03 7.07 7.99 -1.26 0.84 117.00 128.56 1r6r n LEU 46 Ca -0.14 1.20 -0.15 0.00 -0.01 0.00 0.00 56.01 56.90 1r6r n LEU 46 Cb 1.03 -0.50 -0.12 0.00 -0.11 0.00 0.00 43.42 43.72 1r6r n LEU 46 CO 0.45 -1.27 0.38 0.15 -1.51 0.00 0.00 177.39 175.59 1r6r h PHE 47 N 0.00 0.23 0.60 -1.77 3.57 -1.99 -2.61 116.94 114.98 1r6r h PHE 47 Ca 0.51 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 1r6r h PHE 47 Cb 1.21 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1r6r h PHE 47 CO -0.20 0.96 -0.36 1.98 -2.23 0.00 0.00 178.31 178.45 1r6r h MET 48 N -0.57 -0.87 -0.70 1.11 4.05 0.26 -1.85 114.93 116.36 1r6r h MET 48 Ca -0.03 0.06 0.12 0.00 -0.28 0.00 0.00 59.70 59.57 1r6r h MET 48 Cb 1.03 0.20 -0.09 0.00 -0.80 0.00 0.00 31.60 31.94 1r6r h MET 48 CO 0.05 -0.58 0.26 0.00 0.23 0.00 0.00 176.91 176.87 1r6r h ALA 49 N -0.57 0.95 0.66 0.39 0.00 0.24 0.61 119.26 121.53 1r6r h ALA 49 Ca -0.07 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1r6r h ALA 49 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r6r h ALA 49 CO 0.08 -0.21 -0.37 1.25 0.00 0.00 0.00 179.25 180.01 1r6r h LEU 50 N 0.42 -0.90 -1.70 0.00 5.85 -1.20 0.25 115.31 118.03 1r6r h LEU 50 Ca 0.37 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 1r6r h LEU 50 Cb 0.54 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1r6r h LEU 50 CO -0.38 -0.58 0.14 0.58 -0.34 0.00 0.00 178.44 177.86 1r6r h VAL 51 N -0.95 1.08 -0.18 1.05 2.07 -1.09 -2.19 116.25 116.04 1r6r h VAL 51 Ca -0.09 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1r6r h VAL 51 Cb 0.75 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1r6r h VAL 51 CO 0.11 0.09 0.04 0.00 0.02 0.00 0.00 177.57 177.83 1r6r h ALA 52 N 1.81 0.24 0.03 1.67 0.00 0.54 0.43 119.26 123.98 1r6r h ALA 52 Ca 0.09 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1r6r h ALA 52 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1r6r h ALA 52 CO -0.02 -0.12 -0.35 0.35 0.00 0.00 0.00 179.25 179.11 1r6r h PHE 53 N 0.10 -0.98 -0.75 0.00 3.57 0.10 0.52 116.94 119.50 1r6r h PHE 53 Ca 0.06 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1r6r h PHE 53 Cb 0.27 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1r6r h PHE 53 CO 0.01 -0.45 0.50 -0.07 -2.23 0.00 0.00 178.31 176.07 1r6r h LEU 54 N -0.53 0.82 0.00 0.59 -0.00 -1.36 0.22 115.31 115.04 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 0.60 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1r6r h LEU 54 CO -0.26 0.57 0.00 -1.14 -0.00 0.00 0.00 178.44 177.61 1r6r n ARG 55 N -4.44 0.17 -0.02 1.13 0.00 0.15 0.92 116.66 114.57 1r6r n ARG 55 Ca 0.09 0.14 0.06 0.00 -0.00 0.00 0.00 57.85 58.14 1r6r n ARG 55 Cb 0.09 -1.50 -0.15 0.00 0.00 0.00 0.00 32.46 30.90 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 -1.36 0.13 -0.08 -0.14 3.01 0.16 -4.22 117.46 114.96 1r6r n PHE 56 Ca 0.07 0.04 -0.11 0.00 1.01 0.00 0.00 57.45 58.47 1r6r n PHE 56 Cb 0.17 -0.68 -0.09 0.00 -0.01 0.00 0.00 39.48 38.87 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 -2.44 2.21 0.00 4.37 4.77 -0.90 -4.89 117.00 120.12 1r6r n LEU 57 Ca -0.10 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1r6r n LEU 57 Cb 0.72 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1r6r n LEU 57 CO 0.45 0.67 0.00 0.41 -1.33 0.00 0.00 177.39 177.59 1r6r n THR 58 N -2.88 0.00 -3.50 -5.08 -1.04 -0.25 -5.07 114.28 96.47 1r6r n THR 58 Ca -0.28 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.50 1r6r n THR 58 Cb 0.86 0.64 0.04 0.00 -1.82 0.00 0.00 70.33 70.05 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 -7.10 -2.82 12.58 -0.00 0.26 -4.92 119.36 117.36 1r6r n ILE 59 Ca 0.00 -0.89 -0.37 0.00 -0.00 0.00 0.00 62.75 61.49 1r6r n ILE 59 Cb 0.00 -5.14 -0.00 0.00 -0.00 0.00 0.00 39.64 34.50 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 -3.50 4.62 -2.06 0.38 -0.04 -1.26 -4.94 135.00 128.20 1r6r n PRO 60 Ca -0.09 -4.69 -0.43 0.00 -0.04 0.00 0.00 63.50 58.25 1r6r n PRO 60 Cb 0.59 -2.41 -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 -3.75 3.33 1.05 0.54 0.04 -1.26 -4.97 135.00 129.98 1r6r s PRO 61 Ca 0.40 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1r6r s PRO 61 Cb 0.18 -4.18 0.17 0.00 0.04 0.00 0.00 34.50 30.71 1r6r s PRO 61 CO -0.08 -1.87 0.74 2.41 0.04 0.00 0.00 177.00 178.24 1r6r n THR 62 N 7.35 0.00 -0.26 1.26 -1.04 -1.26 -4.74 114.28 115.59 1r6r n THR 62 Ca 0.22 -0.25 0.07 0.00 -2.04 0.00 0.00 64.05 62.05 1r6r n THR 62 Cb 0.47 -0.85 0.20 0.00 -1.82 0.00 0.00 70.33 68.34 1r6r n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r6r h ALA 63 N -2.14 1.01 -0.61 2.41 0.00 0.16 -0.92 119.26 119.17 1r6r h ALA 63 Ca -0.51 0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1r6r h ALA 63 Cb 1.31 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1r6r h ALA 63 CO 0.42 -0.35 0.34 0.78 0.00 0.00 0.00 179.25 180.44 1r6r h GLY 64 N 0.27 0.88 0.18 0.00 0.00 -1.85 -0.01 103.07 102.54 1r6r h GLY 64 Ca 0.44 -0.24 0.19 0.00 0.00 0.00 0.00 47.33 47.71 1r6r h GLY 64 CO -0.53 0.17 0.61 -2.22 0.00 0.00 0.00 176.54 174.57 1r6r h ILE 65 N 0.65 0.72 0.01 2.60 1.08 -1.47 0.71 117.51 121.81 1r6r h ILE 65 Ca 0.26 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.42 1r6r h ILE 65 Cb 0.13 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.80 1r6r h ILE 65 CO -0.15 0.13 -0.38 -0.07 -0.69 0.00 0.00 178.15 176.99 1r6r h LEU 66 N 0.72 0.02 -1.31 1.44 -0.00 -1.33 -1.30 115.31 113.56 1r6r h LEU 66 Ca 0.56 -0.87 0.04 0.00 -0.00 0.00 0.00 57.88 57.61 1r6r h LEU 66 Cb 0.92 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.53 1r6r h LEU 66 CO -0.34 1.15 0.49 0.11 -0.00 0.00 0.00 178.44 179.86 1r6r h LYS 67 N -0.96 0.85 0.00 1.13 1.79 -0.66 -0.89 116.57 117.83 1r6r h LYS 67 Ca -0.10 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.13 1r6r h LYS 67 Cb 1.11 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.55 1r6r h LYS 67 CO -0.05 0.56 -0.88 0.07 -1.08 0.00 0.00 179.45 178.08 1r6r h ARG 68 N 0.88 0.00 -1.14 3.15 0.11 0.32 -3.30 114.38 114.40 1r6r h ARG 68 Ca 0.31 0.00 0.34 0.00 0.10 0.00 0.00 59.98 60.73 1r6r h ARG 68 Cb 0.11 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.08 1r6r h ARG 68 CO -0.09 0.88 0.72 2.35 0.10 0.00 0.00 179.97 183.93 1r6r h TRP 69 N 0.00 0.65 -0.77 4.08 2.91 0.08 0.16 115.95 123.06 1r6r h TRP 69 Ca -0.01 0.03 -0.49 0.00 1.13 0.00 0.00 58.89 59.55 1r6r h TRP 69 Cb 1.64 -0.18 -0.28 0.00 -0.51 0.00 0.00 29.16 29.84 1r6r h TRP 69 CO 0.00 -0.09 0.19 0.41 -1.03 0.00 0.00 178.44 177.92 1r6r n GLY 70 N -1.46 5.52 0.57 2.65 0.00 -1.23 -4.46 105.19 106.79 1r6r n GLY 70 Ca 0.31 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.97 0.00 0.00 2.61 5.66 0.53 -5.10 114.28 117.01 1r6r n THR 71 Ca 0.50 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.48 1r6r n THR 71 Cb 1.00 0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.03 1.09 -5.35 -1.10 -5.02 119.36 108.96 1r6r n ILE 72 Ca -0.03 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.41 1r6r n ILE 72 Cb 0.57 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.00 0.00 6.28 3.00 -1.26 -5.00 118.16 122.18 1r6r n LYS 73 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1r6r n LYS 73 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 33.90 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 -2.55 0.00 -0.12 1.64 4.76 -1.26 -4.50 118.16 116.13 1r6r n LYS 74 Ca -0.10 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.26 1r6r n LYS 74 Cb 0.63 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 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 0.40 0.73 4.39 4.64 -1.98 0.83 113.55 122.56 1r6r h SER 75 Ca 0.00 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1r6r h SER 75 Cb 0.00 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1r6r h SER 75 CO 0.00 0.29 -0.76 0.11 -0.87 0.00 0.00 176.83 175.60 1r6r h LYS 76 N 0.49 0.02 0.11 4.77 1.57 -1.98 -2.20 116.57 119.34 1r6r h LYS 76 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1r6r h LYS 76 Cb -0.03 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1r6r h LYS 76 CO -0.05 0.78 -0.05 0.00 -0.57 0.00 0.00 179.45 179.55 1r6r h ALA 77 N 1.22 -0.15 -0.90 3.86 0.00 -1.73 -1.31 119.26 120.24 1r6r h ALA 77 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1r6r h ALA 77 Cb 1.35 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1r6r h ALA 77 CO 0.10 -0.24 0.59 0.82 0.00 0.00 0.00 179.25 180.53 1r6r h ILE 78 N -0.84 1.19 -0.54 0.00 2.04 0.58 0.23 117.51 120.17 1r6r h ILE 78 Ca -0.01 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1r6r h ILE 78 Cb 0.56 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1r6r h ILE 78 CO 0.02 0.22 0.06 0.78 0.00 0.00 0.00 178.15 179.23 1r6r h ASN 79 N 1.18 0.82 0.09 1.72 2.35 -1.46 -0.42 115.58 119.87 1r6r h ASN 79 Ca 0.35 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1r6r h ASN 79 Cb -0.07 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1r6r h ASN 79 CO -0.10 0.85 -0.05 0.58 -1.65 0.00 0.00 177.43 177.07 1r6r h VAL 80 N 0.82 1.01 -0.71 2.81 2.07 0.06 0.29 116.25 122.60 1r6r h VAL 80 Ca 0.17 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1r6r h VAL 80 Cb 0.40 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1r6r h VAL 80 CO 0.01 0.09 0.47 -0.07 0.02 0.00 0.00 177.57 178.09 1r6r h LEU 81 N -0.30 0.62 -0.32 2.57 4.07 -0.33 0.42 115.31 122.04 1r6r h LEU 81 Ca -0.01 0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.81 1r6r h LEU 81 Cb 0.25 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1r6r h LEU 81 CO 0.02 0.39 -0.36 -0.09 -1.08 0.00 0.00 178.44 177.33 1r6r h ARG 82 N 0.70 0.82 -0.45 1.13 9.65 -0.62 -2.17 114.38 123.44 1r6r h ARG 82 Ca 0.31 -0.44 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 1r6r h ARG 82 Cb 0.31 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1r6r h ARG 82 CO -0.10 1.08 0.10 0.78 2.80 0.00 0.00 179.97 184.63 1r6r h GLY 83 N 0.59 0.72 1.00 2.80 0.00 0.14 -1.82 103.07 106.51 1r6r h GLY 83 Ca 0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1r6r h GLY 83 CO 0.09 0.37 0.29 0.74 0.00 0.00 0.00 176.54 178.03 1r6r h PHE 84 N 0.65 0.93 -0.67 5.60 0.04 0.04 0.41 116.94 123.94 1r6r h PHE 84 Ca 0.15 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.88 1r6r h PHE 84 Cb 0.26 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1r6r h PHE 84 CO 0.01 0.72 0.45 -0.09 -0.60 0.00 0.00 178.31 178.79 1r6r h ARG 85 N 0.88 0.87 0.03 1.51 1.12 -0.71 0.38 114.38 118.46 1r6r h ARG 85 Ca 0.22 -0.05 -0.23 0.00 -1.11 0.00 0.00 59.98 58.80 1r6r h ARG 85 Cb 0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 1r6r h ARG 85 CO -0.02 0.57 -1.01 -0.22 -3.11 0.00 0.00 179.97 176.18 1r6r h LYS 86 N 0.89 0.33 -0.35 0.20 1.63 -0.73 -2.15 116.57 116.40 1r6r h LYS 86 Ca 0.25 -0.41 -0.11 0.00 -0.85 0.00 0.00 60.65 59.53 1r6r h LYS 86 Cb -0.07 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1r6r h LYS 86 CO -0.06 1.11 -0.24 0.93 -3.45 0.00 0.00 179.45 177.74 1r6r h GLU 87 N 0.17 0.69 -0.36 1.90 5.08 0.83 -1.74 114.58 121.15 1r6r h GLU 87 Ca -0.09 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.82 1r6r h GLU 87 Cb 1.67 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 1r6r h GLU 87 CO 0.17 0.87 -0.44 0.97 -1.00 0.00 0.00 179.01 179.58 1r6r h ILE 88 N 0.60 1.27 -0.23 3.13 2.10 -0.28 -2.00 117.51 122.11 1r6r h ILE 88 Ca 0.08 -1.62 -0.02 0.00 1.08 0.00 0.00 64.86 64.39 1r6r h ILE 88 Cb 0.73 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1r6r h ILE 88 CO 0.06 0.54 0.05 1.23 -1.08 0.00 0.00 178.15 178.94 1r6r h GLY 89 N 0.75 0.34 1.18 8.18 0.00 -1.16 -1.36 103.07 111.00 1r6r h GLY 89 Ca 0.05 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 1r6r h GLY 89 CO 0.10 0.15 -0.43 3.21 0.00 0.00 0.00 176.54 179.58 1r6r h ARG 90 N 0.32 0.89 -0.78 4.80 3.08 -0.97 -2.31 114.38 119.40 1r6r h ARG 90 Ca 0.08 -0.49 0.04 0.00 0.07 0.00 0.00 59.98 59.68 1r6r h ARG 90 Cb 0.14 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1r6r h ARG 90 CO -0.00 1.14 0.52 1.98 -1.07 0.00 0.00 179.97 182.53 1r6r h MET 91 N 0.71 0.91 -0.44 0.04 4.05 -0.52 -0.10 114.93 119.57 1r6r h MET 91 Ca 0.05 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1r6r h MET 91 Cb 1.02 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 1r6r h MET 91 CO 0.10 0.60 0.12 -0.07 0.23 0.00 0.00 176.91 177.89 1r6r h LEU 92 N 0.94 0.67 -2.01 3.39 3.38 -1.16 0.94 115.31 121.46 1r6r h LEU 92 Ca 0.32 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1r6r h LEU 92 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1r6r h LEU 92 CO -0.10 0.72 0.42 0.78 0.09 0.00 0.00 178.44 180.35 1r6r h ASN 93 N 0.59 0.00 0.30 -0.43 2.35 -0.48 0.52 115.58 118.42 1r6r h ASN 93 Ca 0.14 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.56 1r6r h ASN 93 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.69 1r6r h ASN 93 CO 0.00 0.00 -1.62 0.40 -1.65 0.00 0.00 177.43 174.56 1r6r h ILE 94 N 0.00 1.08 -0.56 2.81 2.04 -0.17 -3.35 117.51 119.37 1r6r h ILE 94 Ca 0.20 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1r6r h ILE 94 Cb 1.03 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 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 -3.56 5.07 -0.00 1.44 -0.00 0.65 -4.12 117.00 116.47 1r6r n LEU 95 Ca -0.20 -2.57 0.04 0.00 -0.00 0.00 0.00 56.01 53.28 1r6r n LEU 95 Cb 1.07 -0.63 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 1r6r n LEU 95 CO 0.53 0.65 -0.28 0.59 -0.00 0.00 0.00 177.39 178.88 1r6r n ASN 96 N 0.74 1.71 -2.93 1.45 3.02 0.15 -4.68 115.26 114.71 1r6r n ASN 96 Ca 0.25 -0.36 -0.32 0.00 -0.03 0.00 0.00 54.58 54.12 1r6r n ASN 96 Cb 1.03 1.16 -0.04 0.00 -0.61 0.00 0.00 39.78 41.31 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 -1.44 3.40 -0.03 3.52 1.74 -1.26 -4.18 116.66 118.42 1r6r n ARG 97 Ca 0.00 -2.73 -0.03 0.00 -0.77 0.00 0.00 57.85 54.32 1r6r n ARG 97 Cb 0.15 -2.38 -0.04 0.00 -1.02 0.00 0.00 32.46 29.17 1r6r n ARG 97 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1r6r n ARG 98 N 1.49 2.80 -1.76 5.56 1.85 -1.26 -5.00 116.66 120.34 1r6r n ARG 98 Ca 0.56 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 57.24 1r6r n ARG 98 Cb 0.43 -1.14 -0.05 0.00 -1.05 0.00 0.00 32.46 30.64 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 -2.25 -1.54 0.00 2.89 0.63 -1.26 -5.27 116.66 109.86 1r6r n ARG 99 Ca -0.09 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1r6r n ARG 99 Cb 0.67 -5.34 0.00 0.00 0.45 0.00 0.00 32.46 28.24 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01