#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 -1.45 -2.70 1.20 5.12 -1.26 -4.74 116.66 112.84 1r6r n ARG 22 Ca 0.00 1.05 -0.02 0.00 -1.93 0.00 0.00 57.85 56.95 1r6r n ARG 22 Cb 0.00 -5.42 0.12 0.00 -1.16 0.00 0.00 32.46 25.99 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 -2.38 0.20 -2.23 1.55 3.14 -1.26 -0.28 118.33 117.07 1r6r n VAL 23 Ca -0.19 -1.32 0.02 0.00 -2.96 0.00 0.00 64.34 59.90 1r6r n VAL 23 Cb 0.60 1.05 0.02 0.00 -1.06 0.00 0.00 33.84 34.45 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 -1.39 0.59 -0.04 6.55 3.41 -1.26 -4.89 113.62 116.59 1r6r n SER 24 Ca -0.14 -2.06 -0.09 0.00 -0.26 0.00 0.00 58.87 56.32 1r6r n SER 24 Cb 0.87 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.21 0.72 0.32 6.66 -1.04 -1.26 -4.58 114.28 115.31 1r6r n THR 25 Ca 0.04 -0.04 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1r6r n THR 25 Cb 0.93 -1.69 0.96 0.00 -1.82 0.00 0.00 70.33 68.71 1r6r n THR 25 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1r6r h VAL 26 N -0.36 0.06 -0.81 12.58 3.04 -1.94 -1.28 116.25 127.54 1r6r h VAL 26 Ca -0.20 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.66 1r6r h VAL 26 Cb 1.03 0.80 -0.06 0.00 -2.01 0.00 0.00 31.29 31.06 1r6r h VAL 26 CO -0.12 0.00 0.54 1.56 -1.01 0.00 0.00 177.57 178.54 1r6r h GLN 27 N 0.00 0.39 -0.74 4.17 1.08 -1.90 -0.02 115.11 118.09 1r6r h GLN 27 Ca 0.01 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1r6r h GLN 27 Cb 0.43 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 1r6r h GLN 27 CO -0.00 0.26 0.49 -0.56 -0.95 0.00 0.00 178.83 178.07 1r6r h GLN 28 N 0.41 0.71 0.07 1.46 -0.00 -1.54 -1.02 115.11 115.20 1r6r h GLN 28 Ca 0.40 -0.04 -0.24 0.00 -0.00 0.00 0.00 58.65 58.77 1r6r h GLN 28 Cb 0.97 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 28.28 1r6r h GLN 28 CO -0.14 0.47 -1.10 1.37 -0.00 0.00 0.00 178.83 179.44 1r6r h LEU 29 N 0.73 0.30 -1.79 0.06 8.10 -1.21 -1.21 115.31 120.29 1r6r h LEU 29 Ca 0.33 -0.30 -0.03 0.00 0.11 0.00 0.00 57.88 57.98 1r6r h LEU 29 Cb 0.33 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1r6r h LEU 29 CO -0.11 1.20 -0.15 0.74 -4.11 0.00 0.00 178.44 176.00 1r6r h THR 30 N 0.07 0.83 0.00 0.15 2.02 -0.85 0.14 112.91 115.28 1r6r h THR 30 Ca -0.08 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1r6r h THR 30 Cb 1.81 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1r6r h THR 30 CO 0.17 0.15 -1.88 2.29 0.37 0.00 0.00 175.52 176.63 1r6r n LYS 31 N -3.95 0.61 0.04 6.66 2.85 -0.61 -4.39 118.16 119.37 1r6r n LYS 31 Ca -0.02 -0.18 0.03 0.00 -1.05 0.00 0.00 58.31 57.10 1r6r n LYS 31 Cb 0.24 -1.48 -0.08 0.00 -0.65 0.00 0.00 35.03 33.06 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 -2.17 0.63 -0.48 -1.58 0.63 -0.46 -3.99 116.66 109.24 1r6r n ARG 32 Ca -0.03 0.13 0.05 0.00 -0.92 0.00 0.00 57.85 57.08 1r6r n ARG 32 Cb 0.52 -1.76 0.23 0.00 0.45 0.00 0.00 32.46 31.90 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 -2.75 1.13 0.48 -0.14 -1.74 0.46 -4.06 117.46 110.83 1r6r n PHE 33 Ca -0.08 -0.41 0.12 0.00 -0.56 0.00 0.00 57.45 56.52 1r6r n PHE 33 Cb 0.76 -0.29 0.27 0.00 1.52 0.00 0.00 39.48 41.74 1r6r n PHE 33 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1r6r h SER 34 N 2.40 0.00 0.06 5.98 4.64 -1.77 -3.27 113.55 121.59 1r6r h SER 34 Ca 0.00 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 1r6r h SER 34 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1r6r h SER 34 CO 0.25 0.02 -0.57 -0.07 -0.87 0.00 0.00 176.83 175.59 1r6r h LEU 35 N 0.00 0.20 0.00 5.97 4.07 -1.87 -3.48 115.31 120.20 1r6r h LEU 35 Ca 0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.04 1r6r h LEU 35 Cb 0.82 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1r6r h LEU 35 CO 0.00 1.25 0.00 0.61 -1.08 0.00 0.00 178.44 179.22 1r6r n GLY 36 N 1.63 5.42 5.00 0.83 0.00 -1.25 -4.91 105.19 111.91 1r6r n GLY 36 Ca -0.15 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1r6r n GLY 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1r6r n MET 37 N 0.00 0.00 0.11 1.61 2.00 -1.26 -4.01 117.12 115.57 1r6r n MET 37 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.70 57.89 1r6r n MET 37 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 33.22 33.87 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 -3.34 4.03 8.10 -1.91 0.55 115.31 122.75 1r6r h LEU 38 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1r6r h LEU 38 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1r6r h LEU 38 CO 0.00 0.00 0.00 1.67 -4.11 0.00 0.00 178.44 176.00 1r6r n GLN 39 N -3.33 3.67 0.00 0.17 7.27 -1.26 -4.92 117.38 118.97 1r6r n GLN 39 Ca 0.08 -2.92 0.00 0.00 0.07 0.00 0.00 57.00 54.23 1r6r n GLN 39 Cb 0.77 -1.96 0.00 0.00 2.41 0.00 0.00 30.24 31.45 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 0.06 2.88 7.00 1.69 0.00 0.19 -4.94 105.19 112.07 1r6r n GLY 40 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.10 1.61 3.00 -1.25 -4.50 116.66 115.61 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 -1.81 0.11 5.14 0.00 -1.26 -4.97 105.19 102.40 1r6r n GLY 42 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 0.13 -2.04 1.61 0.13 -2.02 -3.48 132.00 126.33 1r6r h PRO 43 Ca 0.00 -0.21 -0.33 0.00 -0.87 0.00 0.00 66.00 64.59 1r6r h PRO 43 Cb 0.00 0.08 -0.09 0.00 0.13 0.00 0.00 31.00 31.12 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 -4.20 -1.29 -0.01 1.56 0.00 -1.26 -4.78 117.00 107.02 1r6r n LEU 44 Ca -0.24 0.29 0.10 0.00 0.00 0.00 0.00 56.01 56.16 1r6r n LEU 44 Cb 0.76 -2.38 -0.14 0.00 0.00 0.00 0.00 43.42 41.65 1r6r n LEU 44 CO 0.33 -0.60 -0.41 2.29 0.00 0.00 0.00 177.39 179.00 1r6r n LYS 45 N -2.36 0.43 -0.24 1.96 2.85 -1.26 -4.37 118.16 115.16 1r6r n LYS 45 Ca -0.17 -0.10 0.17 0.00 -1.05 0.00 0.00 58.31 57.16 1r6r n LYS 45 Cb 0.57 -1.49 0.48 0.00 -0.65 0.00 0.00 35.03 33.94 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 0.47 0.16 -5.58 5.85 -1.99 0.52 115.31 114.74 1r6r h LEU 46 Ca 0.00 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.54 1r6r h LEU 46 Cb 0.74 -0.05 0.03 0.00 0.37 0.00 0.00 40.66 41.75 1r6r h LEU 46 CO 0.00 0.20 -0.95 0.15 -0.34 0.00 0.00 178.44 177.50 1r6r h PHE 47 N 0.47 0.66 0.04 1.25 3.57 -1.99 -2.57 116.94 118.37 1r6r h PHE 47 Ca 0.46 -0.47 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1r6r h PHE 47 Cb 1.04 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1r6r h PHE 47 CO -0.00 1.36 -0.07 1.98 -2.23 0.00 0.00 178.31 179.34 1r6r h MET 48 N -0.23 -0.14 -0.58 1.11 4.05 -1.42 -1.16 114.93 116.56 1r6r h MET 48 Ca -0.16 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.30 1r6r h MET 48 Cb 1.74 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.53 1r6r h MET 48 CO 0.18 -0.09 0.33 0.00 0.23 0.00 0.00 176.91 177.56 1r6r h ALA 49 N 0.81 0.76 0.63 0.39 0.00 -0.11 0.41 119.26 122.14 1r6r h ALA 49 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r6r h ALA 49 Cb 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r6r h ALA 49 CO -0.05 0.03 -0.39 1.25 0.00 0.00 0.00 179.25 180.09 1r6r h LEU 50 N 0.65 -1.00 -1.45 0.00 5.85 -1.02 0.31 115.31 118.66 1r6r h LEU 50 Ca 0.24 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1r6r h LEU 50 Cb 0.08 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1r6r h LEU 50 CO -0.13 -0.60 0.29 0.58 -0.34 0.00 0.00 178.44 178.23 1r6r h VAL 51 N -0.96 1.14 0.10 1.05 2.07 -1.13 -2.47 116.25 116.05 1r6r h VAL 51 Ca -0.09 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1r6r h VAL 51 Cb 0.77 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1r6r h VAL 51 CO 0.08 0.15 -0.05 0.00 0.02 0.00 0.00 177.57 177.78 1r6r h ALA 52 N 1.65 -0.13 -0.11 1.67 0.00 0.13 0.46 119.26 122.92 1r6r h ALA 52 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1r6r h ALA 52 Cb -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1r6r h ALA 52 CO -0.03 -0.51 -0.50 0.35 0.00 0.00 0.00 179.25 178.56 1r6r h PHE 53 N -0.26 -1.45 -0.80 0.00 3.57 0.04 0.53 116.94 118.58 1r6r h PHE 53 Ca -0.01 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1r6r h PHE 53 Cb 0.21 0.65 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1r6r h PHE 53 CO -0.03 -0.53 0.53 -0.07 -2.23 0.00 0.00 178.31 175.98 1r6r h LEU 54 N -0.56 0.89 0.00 0.59 -0.00 -1.39 0.19 115.31 115.02 1r6r h LEU 54 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1r6r h LEU 54 Cb 0.67 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1r6r h LEU 54 CO -0.41 0.63 0.00 -1.14 -0.00 0.00 0.00 178.44 177.52 1r6r n ARG 55 N -4.43 0.40 -0.02 1.13 0.00 0.16 0.17 116.66 114.07 1r6r n ARG 55 Ca 0.09 0.07 0.05 0.00 -0.00 0.00 0.00 57.85 58.06 1r6r n ARG 55 Cb 0.07 -1.50 -0.12 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 -1.18 0.00 -0.09 -0.14 3.01 0.16 -4.43 117.46 114.80 1r6r n PHE 56 Ca 0.11 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.41 1r6r n PHE 56 Cb 0.12 -0.43 -0.07 0.00 -0.01 0.00 0.00 39.48 39.09 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 -2.15 1.82 0.00 4.37 4.77 -0.86 -4.88 117.00 120.07 1r6r n LEU 57 Ca -0.07 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1r6r n LEU 57 Cb 0.52 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1r6r n LEU 57 CO 0.33 0.50 -0.12 0.41 -1.33 0.00 0.00 177.39 177.19 1r6r n THR 58 N -3.53 0.00 -3.46 -5.08 -1.04 -0.78 -5.06 114.28 95.33 1r6r n THR 58 Ca -0.33 -0.09 -0.21 0.00 -2.04 0.00 0.00 64.05 61.38 1r6r n THR 58 Cb 0.77 0.57 0.04 0.00 -1.82 0.00 0.00 70.33 69.89 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 -0.53 -7.39 -2.63 12.58 -0.00 0.45 -4.93 119.36 116.91 1r6r n ILE 59 Ca 0.00 -0.88 -0.37 0.00 -0.00 0.00 0.00 62.75 61.51 1r6r n ILE 59 Cb 0.00 -5.32 0.01 0.00 -0.00 0.00 0.00 39.64 34.32 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 -3.36 4.53 -2.15 0.38 -0.04 -1.26 -4.94 135.00 128.16 1r6r n PRO 60 Ca -0.09 -4.59 -0.43 0.00 -0.04 0.00 0.00 63.50 58.35 1r6r n PRO 60 Cb 0.59 -2.38 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 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 -4.06 3.56 1.03 0.54 0.04 -1.26 -4.98 135.00 129.87 1r6r s PRO 61 Ca 0.43 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1r6r s PRO 61 Cb 0.25 -4.09 0.21 0.00 0.04 0.00 0.00 34.50 30.91 1r6r s PRO 61 CO -0.17 -1.58 1.08 -2.37 0.04 0.00 0.00 177.00 174.00 1r6r n THR 62 N 6.98 0.00 -0.32 1.26 5.66 -1.26 -4.80 114.28 121.80 1r6r n THR 62 Ca 0.19 -0.19 0.16 0.00 -3.05 0.00 0.00 64.05 61.17 1r6r n THR 62 Cb 0.47 -0.99 0.40 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.23 1.90 -0.64 1.79 0.00 -1.01 -0.93 119.26 118.14 1r6r h ALA 63 Ca -0.51 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1r6r h ALA 63 Cb 1.30 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1r6r h ALA 63 CO 0.44 -0.26 0.34 0.78 0.00 0.00 0.00 179.25 180.55 1r6r h GLY 64 N 0.61 0.94 0.56 0.00 0.00 -1.89 0.14 103.07 103.44 1r6r h GLY 64 Ca 0.56 -0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.77 1r6r h GLY 64 CO -0.33 0.13 0.61 -2.22 0.00 0.00 0.00 176.54 174.73 1r6r h ILE 65 N 0.63 0.93 0.05 2.60 1.08 -1.47 0.71 117.51 122.03 1r6r h ILE 65 Ca 0.29 -0.32 -0.07 0.00 -0.39 0.00 0.00 64.86 64.38 1r6r h ILE 65 Cb 0.21 -0.09 0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1r6r h ILE 65 CO -0.20 0.17 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.08 1r6r h LEU 66 N 0.94 0.17 -0.94 1.44 -0.00 -1.33 -0.72 115.31 114.87 1r6r h LEU 66 Ca 0.46 -0.98 0.01 0.00 -0.00 0.00 0.00 57.88 57.37 1r6r h LEU 66 Cb 0.48 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.04 1r6r h LEU 66 CO -0.23 1.14 0.62 0.11 -0.00 0.00 0.00 178.44 180.08 1r6r h LYS 67 N -0.77 1.23 0.00 1.13 1.79 -0.43 -1.41 116.57 118.11 1r6r h LYS 67 Ca -0.05 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.27 1r6r h LYS 67 Cb 1.22 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1r6r h LYS 67 CO 0.05 0.81 -0.34 0.07 -1.08 0.00 0.00 179.45 178.97 1r6r h ARG 68 N 1.27 0.00 -1.05 3.15 0.11 0.32 -3.27 114.38 114.91 1r6r h ARG 68 Ca 0.34 0.00 0.28 0.00 0.10 0.00 0.00 59.98 60.70 1r6r h ARG 68 Cb -0.14 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 30.84 1r6r h ARG 68 CO -0.08 0.34 0.67 2.35 0.10 0.00 0.00 179.97 183.35 1r6r h TRP 69 N 0.00 0.71 -0.58 4.08 -0.00 0.04 0.24 115.95 120.44 1r6r h TRP 69 Ca -0.00 0.03 -0.35 0.00 -0.00 0.00 0.00 58.89 58.56 1r6r h TRP 69 Cb 1.14 -0.20 -0.21 0.00 -0.00 0.00 0.00 29.16 29.89 1r6r h TRP 69 CO 0.00 0.04 0.00 0.41 -0.00 0.00 0.00 178.44 178.89 1r6r n GLY 70 N -1.45 5.27 0.26 2.65 0.00 -1.23 -4.47 105.19 106.22 1r6r n GLY 70 Ca 0.26 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.03 0.01 0.00 2.61 5.66 0.07 -5.06 114.28 116.53 1r6r n THR 71 Ca 0.42 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.41 1r6r n THR 71 Cb 1.04 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 70.56 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 0.00 1.09 -5.35 -1.19 -5.04 119.36 108.86 1r6r n ILE 72 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1r6r n ILE 72 Cb 0.60 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 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 3.16 0.00 6.28 3.00 -1.26 -5.00 118.16 124.34 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 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.05 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 -1.85 0.00 -0.23 1.64 4.76 -1.26 -4.44 118.16 116.78 1r6r n LYS 74 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1r6r n LYS 74 Cb 0.39 -0.09 0.21 0.00 -1.84 0.00 0.00 35.03 33.70 1r6r n LYS 74 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1r6r h SER 75 N 0.00 0.90 0.07 4.39 0.87 -1.98 0.51 113.55 118.30 1r6r h SER 75 Ca 0.00 -0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 1r6r h SER 75 Cb 0.00 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1r6r h SER 75 CO 0.00 0.69 -0.78 0.11 -0.53 0.00 0.00 176.83 176.32 1r6r h LYS 76 N 1.04 0.41 0.22 2.24 1.79 -1.99 -2.13 116.57 118.15 1r6r h LYS 76 Ca 0.27 -0.53 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1r6r h LYS 76 Cb -0.04 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1r6r h LYS 76 CO -0.05 1.20 -0.10 0.00 -1.08 0.00 0.00 179.45 179.41 1r6r h ALA 77 N 0.23 -0.29 -0.71 3.86 0.00 -1.80 0.20 119.26 120.74 1r6r h ALA 77 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1r6r h ALA 77 Cb 1.53 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1r6r h ALA 77 CO 0.15 -0.59 0.46 0.82 0.00 0.00 0.00 179.25 180.09 1r6r h ILE 78 N -0.43 1.19 -0.76 0.00 2.04 -0.12 -0.33 117.51 119.11 1r6r h ILE 78 Ca -0.03 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1r6r h ILE 78 Cb 0.33 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1r6r h ILE 78 CO 0.05 0.19 0.29 0.78 0.00 0.00 0.00 178.15 179.46 1r6r h ASN 79 N 0.97 1.05 -0.31 1.72 2.35 -1.23 -1.71 115.58 118.43 1r6r h ASN 79 Ca 0.26 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1r6r h ASN 79 Cb -0.08 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 1r6r h ASN 79 CO -0.05 0.94 0.15 0.58 -1.65 0.00 0.00 177.43 177.39 1r6r h VAL 80 N 1.11 0.98 -0.35 2.81 2.07 0.31 -0.43 116.25 122.75 1r6r h VAL 80 Ca 0.25 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1r6r h VAL 80 Cb 0.22 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1r6r h VAL 80 CO -0.02 0.06 0.24 -0.07 0.02 0.00 0.00 177.57 177.79 1r6r h LEU 81 N 0.31 0.30 -0.59 2.57 4.07 -0.57 0.25 115.31 121.64 1r6r h LEU 81 Ca 0.13 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 1r6r h LEU 81 Cb 0.05 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1r6r h LEU 81 CO -0.10 0.21 -0.03 0.03 -1.08 0.00 0.00 178.44 177.47 1r6r h ARG 82 N 0.35 1.07 -0.14 1.13 -0.00 -0.22 -2.18 114.38 114.39 1r6r h ARG 82 Ca 0.15 -0.36 -0.09 0.00 -0.50 0.00 0.00 59.98 59.18 1r6r h ARG 82 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.02 1r6r h ARG 82 CO -0.03 1.06 -0.32 0.78 0.00 0.00 0.00 179.97 181.47 1r6r h GLY 83 N 0.97 0.29 0.96 0.04 0.00 0.09 -2.45 103.07 102.97 1r6r h GLY 83 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1r6r h GLY 83 CO 0.04 0.22 -0.01 0.74 0.00 0.00 0.00 176.54 177.53 1r6r h PHE 84 N 0.24 -0.02 -0.67 5.60 0.04 -0.43 0.44 116.94 122.13 1r6r h PHE 84 Ca 0.03 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1r6r h PHE 84 Cb 0.68 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.81 1r6r h PHE 84 CO 0.01 -0.02 0.44 -0.09 -0.60 0.00 0.00 178.31 178.06 1r6r h ARG 85 N -0.01 0.89 -0.51 1.51 1.12 -1.25 0.33 114.38 116.46 1r6r h ARG 85 Ca 0.01 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.74 1r6r h ARG 85 Cb 0.02 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 29.77 1r6r h ARG 85 CO -0.02 0.59 -0.01 0.87 -3.11 0.00 0.00 179.97 178.30 1r6r h LYS 86 N 0.91 0.90 -0.37 0.20 6.56 -1.04 -0.42 116.57 123.32 1r6r h LYS 86 Ca 0.25 -0.29 -0.08 0.00 -1.06 0.00 0.00 60.65 59.47 1r6r h LYS 86 Cb -0.10 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 1r6r h LYS 86 CO -0.05 0.94 -0.08 0.93 -2.06 0.00 0.00 179.45 179.12 1r6r h GLU 87 N 0.77 0.70 -0.32 3.15 4.39 0.34 -2.13 114.58 121.47 1r6r h GLU 87 Ca 0.14 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1r6r h GLU 87 Cb 0.53 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1r6r h GLU 87 CO 0.03 0.85 -0.06 0.97 -1.16 0.00 0.00 179.01 179.64 1r6r h ILE 88 N 0.50 1.22 -0.80 3.13 6.09 -0.25 -1.63 117.51 125.77 1r6r h ILE 88 Ca 0.09 -0.91 -0.02 0.00 -1.37 0.00 0.00 64.86 62.66 1r6r h ILE 88 Cb 0.59 1.04 -0.04 0.00 0.47 0.00 0.00 36.82 38.87 1r6r h ILE 88 CO 0.03 0.30 0.43 1.23 -3.07 0.00 0.00 178.15 177.08 1r6r h GLY 89 N 0.88 1.19 1.69 8.18 0.00 -0.79 -0.72 103.07 113.51 1r6r h GLY 89 Ca 0.10 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1r6r h GLY 89 CO 0.02 0.53 -0.09 3.21 0.00 0.00 0.00 176.54 180.21 1r6r h ARG 90 N 1.11 0.38 -0.79 4.80 3.08 -0.69 -1.92 114.38 120.35 1r6r h ARG 90 Ca 0.28 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.29 1r6r h ARG 90 Cb 0.05 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1r6r h ARG 90 CO -0.04 0.48 0.49 1.98 -1.07 0.00 0.00 179.97 181.81 1r6r h MET 91 N 0.36 0.90 -0.69 0.04 4.05 -0.24 0.07 114.93 119.42 1r6r h MET 91 Ca 0.07 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1r6r h MET 91 Cb 0.39 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1r6r h MET 91 CO 0.02 0.59 0.30 -0.07 0.23 0.00 0.00 176.91 177.99 1r6r h LEU 92 N 0.92 0.94 -2.15 3.39 3.38 -0.88 0.17 115.31 121.09 1r6r h LEU 92 Ca 0.33 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1r6r h LEU 92 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1r6r h LEU 92 CO -0.14 0.83 0.27 -1.13 0.09 0.00 0.00 178.44 178.35 1r6r h ASN 93 N 0.98 0.00 0.31 -0.43 -0.73 -0.48 0.42 115.58 115.64 1r6r h ASN 93 Ca 0.23 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.07 1r6r h ASN 93 Cb 0.17 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1r6r h ASN 93 CO -0.02 0.00 -1.74 0.40 -0.37 0.00 0.00 177.43 175.70 1r6r h ILE 94 N 0.00 0.91 -0.52 2.57 2.04 0.28 -3.27 117.51 119.52 1r6r h ILE 94 Ca 0.12 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1r6r h ILE 94 Cb 0.65 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1r6r h ILE 94 CO -0.00 0.80 0.00 0.00 0.00 0.00 0.00 178.15 178.95 1r6r n LEU 95 N -3.43 3.27 0.00 1.44 -0.00 0.25 -3.95 117.00 114.58 1r6r n LEU 95 Ca -0.23 -1.64 0.00 0.00 -0.00 0.00 0.00 56.01 54.14 1r6r n LEU 95 Cb 1.05 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1r6r n LEU 95 CO 0.48 0.68 0.05 0.59 -0.00 0.00 0.00 177.39 179.18 1r6r n ASN 96 N 0.95 0.19 -2.15 1.45 3.02 0.13 -4.64 115.26 114.21 1r6r n ASN 96 Ca 0.19 -0.59 -0.22 0.00 -0.03 0.00 0.00 54.58 53.92 1r6r n ASN 96 Cb 0.57 0.79 0.18 0.00 -0.61 0.00 0.00 39.78 40.71 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 -0.79 2.24 -0.02 3.52 1.74 -1.23 -4.40 116.66 117.72 1r6r n ARG 97 Ca 0.00 -3.03 -0.10 0.00 -0.77 0.00 0.00 57.85 53.96 1r6r n ARG 97 Cb 0.00 -2.15 -0.14 0.00 -1.02 0.00 0.00 32.46 29.15 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 -1.13 0.65 -1.97 5.56 1.85 -1.26 -4.94 116.66 115.41 1r6r n ARG 98 Ca 0.58 0.29 -0.14 0.00 -1.00 0.00 0.00 57.85 57.58 1r6r n ARG 98 Cb 1.63 -1.78 -0.03 0.00 -1.05 0.00 0.00 32.46 31.22 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 -3.09 -1.76 0.00 2.89 0.63 -1.26 -5.23 116.66 108.84 1r6r n ARG 99 Ca -0.19 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 1r6r n ARG 99 Cb 1.05 -5.19 0.00 0.00 0.45 0.00 0.00 32.46 28.77 1r6r n ARG 99 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99