#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 -3.93 0.00 1.20 1.74 -1.26 -4.67 116.66 109.73 1r6r n ARG 22 Ca 0.00 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 1r6r n ARG 22 Cb 0.00 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 25.92 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 -1.03 1.55 3.14 -1.26 0.44 118.33 116.98 1r6r n VAL 23 Ca -0.09 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.15 1r6r n VAL 23 Cb 0.60 0.00 0.24 0.00 -1.06 0.00 0.00 33.84 33.62 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 0.00 4.28 -0.08 6.55 7.64 -1.26 -4.42 113.62 126.32 1r6r n SER 24 Ca 0.00 -3.34 -0.15 0.00 1.01 0.00 0.00 58.87 56.39 1r6r n SER 24 Cb 0.11 -0.78 -0.05 0.00 -1.01 0.00 0.00 64.21 62.48 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 -0.56 1.30 0.26 0.44 -1.04 -1.26 -4.46 114.28 108.96 1r6r n THR 25 Ca 0.48 -0.05 0.17 0.00 -2.04 0.00 0.00 64.05 62.62 1r6r n THR 25 Cb 1.48 -1.98 0.91 0.00 -1.82 0.00 0.00 70.33 68.93 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 -0.76 0.00 -0.77 12.58 3.04 -1.95 -2.24 116.25 126.15 1r6r h VAL 26 Ca -0.27 -0.02 0.16 0.00 -1.01 0.00 0.00 66.70 65.56 1r6r h VAL 26 Cb 1.12 0.79 -0.05 0.00 -2.01 0.00 0.00 31.29 31.13 1r6r h VAL 26 CO -0.16 0.00 0.52 1.56 -1.01 0.00 0.00 177.57 178.48 1r6r h GLN 27 N 0.00 0.35 -0.79 4.17 1.08 -1.78 0.58 115.11 118.72 1r6r h GLN 27 Ca 0.00 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.29 1r6r h GLN 27 Cb 0.03 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 1r6r h GLN 27 CO 0.00 0.23 0.52 -0.56 -0.95 0.00 0.00 178.83 178.07 1r6r h GLN 28 N 0.36 0.65 0.08 1.46 -0.00 -1.68 -0.13 115.11 115.84 1r6r h GLN 28 Ca 0.38 -0.04 -0.26 0.00 -0.00 0.00 0.00 58.65 58.74 1r6r h GLN 28 Cb 0.96 -0.15 0.01 0.00 -0.00 0.00 0.00 27.48 28.30 1r6r h GLN 28 CO -0.12 0.43 -1.13 1.37 -0.00 0.00 0.00 178.83 179.38 1r6r h LEU 29 N 0.67 0.51 -2.32 0.06 8.10 -1.11 -1.05 115.31 120.16 1r6r h LEU 29 Ca 0.37 -0.48 -0.00 0.00 0.11 0.00 0.00 57.88 57.88 1r6r h LEU 29 Cb 0.54 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1r6r h LEU 29 CO -0.14 1.33 -0.00 0.74 -4.11 0.00 0.00 178.44 176.25 1r6r h THR 30 N 0.15 0.66 0.00 0.15 2.02 -0.67 0.37 112.91 115.59 1r6r h THR 30 Ca -0.12 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 1r6r h THR 30 Cb 1.81 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1r6r h THR 30 CO 0.19 0.00 -2.06 2.29 0.37 0.00 0.00 175.52 176.31 1r6r n LYS 31 N -4.04 0.67 0.10 6.66 2.85 -0.57 -4.34 118.16 119.48 1r6r n LYS 31 Ca -0.03 -0.16 0.10 0.00 -1.05 0.00 0.00 58.31 57.17 1r6r n LYS 31 Cb 0.09 -1.52 -0.01 0.00 -0.65 0.00 0.00 35.03 32.94 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 -2.35 0.61 -0.61 -1.58 0.63 -0.40 -3.92 116.66 109.04 1r6r n ARG 32 Ca -0.09 0.13 0.04 0.00 -0.92 0.00 0.00 57.85 57.01 1r6r n ARG 32 Cb 0.68 -1.82 0.27 0.00 0.45 0.00 0.00 32.46 32.03 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 -2.69 1.42 0.14 -0.14 -1.74 0.12 -4.13 117.46 110.45 1r6r n PHE 33 Ca -0.01 -0.51 0.04 0.00 -0.56 0.00 0.00 57.45 56.41 1r6r n PHE 33 Cb 0.58 -0.39 0.04 0.00 1.52 0.00 0.00 39.48 41.23 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 2.62 0.00 0.99 5.98 0.02 -1.78 -3.28 113.55 118.10 1r6r h SER 34 Ca 0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1r6r h SER 34 Cb 1.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 1r6r h SER 34 CO 0.34 0.40 -1.08 0.17 -1.14 0.00 0.00 176.83 175.52 1r6r h LEU 35 N 0.00 0.00 0.00 5.07 8.10 -1.87 -3.50 115.31 123.11 1r6r h LEU 35 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1r6r h LEU 35 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.54 1r6r h LEU 35 CO 0.05 0.55 0.00 0.61 -4.11 0.00 0.00 178.44 175.54 1r6r n GLY 36 N 1.33 2.54 2.28 0.17 0.00 -1.24 -4.97 105.19 105.31 1r6r n GLY 36 Ca -0.05 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.72 -0.00 1.61 0.00 -1.26 -4.67 117.12 111.07 1r6r n MET 37 Ca 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 57.70 58.48 1r6r n MET 37 Cb 0.00 -5.23 -0.01 0.00 0.00 0.00 0.00 33.22 27.98 1r6r n MET 37 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1r6r n LEU 38 N -2.44 0.00 -1.37 -0.89 -0.00 -1.26 -4.71 117.00 106.33 1r6r n LEU 38 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.75 1r6r n LEU 38 Cb 0.56 0.02 0.14 0.00 -0.00 0.00 0.00 43.42 44.13 1r6r n LEU 38 CO 0.21 0.02 0.50 0.00 -0.00 0.00 0.00 177.39 178.11 1r6r n GLN 39 N -1.84 2.39 0.00 1.47 6.02 -1.26 -4.91 117.38 119.25 1r6r n GLN 39 Ca -0.01 -3.54 0.00 0.00 -0.01 0.00 0.00 57.00 53.44 1r6r n GLN 39 Cb 0.33 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 29.65 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r6r n GLY 40 N -0.98 3.06 6.31 1.08 0.00 -1.26 -4.95 105.19 108.44 1r6r n GLY 40 Ca 0.35 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.04 1.61 3.00 -1.26 -4.46 116.66 115.59 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 -1.88 0.10 5.14 0.00 -1.26 -4.99 105.19 102.30 1r6r n GLY 42 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.35 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 0.09 -1.19 1.61 0.13 -2.02 -3.47 132.00 127.15 1r6r h PRO 43 Ca 0.00 -0.15 -0.33 0.00 -0.87 0.00 0.00 66.00 64.65 1r6r h PRO 43 Cb 0.00 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 31.06 1r6r h PRO 43 CO 0.00 1.07 -0.30 -0.11 -0.23 0.00 0.00 178.00 178.43 1r6r n LEU 44 N -4.28 -1.16 0.02 1.56 0.00 -1.26 -4.78 117.00 107.10 1r6r n LEU 44 Ca -0.24 0.40 -0.00 0.00 0.00 0.00 0.00 56.01 56.16 1r6r n LEU 44 Cb 0.72 -2.36 -0.09 0.00 0.00 0.00 0.00 43.42 41.68 1r6r n LEU 44 CO 0.30 -0.86 -0.35 2.29 0.00 0.00 0.00 177.39 178.77 1r6r n LYS 45 N -2.03 0.62 -0.27 1.96 2.85 -1.26 -4.28 118.16 115.76 1r6r n LYS 45 Ca -0.16 0.20 0.19 0.00 -1.05 0.00 0.00 58.31 57.49 1r6r n LYS 45 Cb 0.54 -1.79 0.36 0.00 -0.65 0.00 0.00 35.03 33.50 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 -2.87 0.10 0.00 -5.58 -0.00 -1.26 0.76 117.00 108.15 1r6r n LEU 46 Ca -0.11 1.38 -0.17 0.00 -0.00 0.00 0.00 56.01 57.11 1r6r n LEU 46 Cb 0.85 -0.59 -0.12 0.00 -0.00 0.00 0.00 43.42 43.57 1r6r n LEU 46 CO 0.43 -1.47 0.26 0.15 -0.00 0.00 0.00 177.39 176.76 1r6r h PHE 47 N 0.00 0.49 0.29 1.96 3.57 -1.99 -2.65 116.94 118.61 1r6r h PHE 47 Ca 0.60 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1r6r h PHE 47 Cb 1.44 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1r6r h PHE 47 CO -0.21 1.11 -0.22 1.98 -2.23 0.00 0.00 178.31 178.74 1r6r h MET 48 N -0.27 -0.49 -0.53 1.11 4.05 0.14 -1.48 114.93 117.47 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 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 32.12 1r6r h MET 48 CO 0.10 -0.33 0.18 0.00 0.23 0.00 0.00 176.91 177.10 1r6r h ALA 49 N 0.16 0.65 0.84 0.39 0.00 0.07 0.49 119.26 121.85 1r6r h ALA 49 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1r6r h ALA 49 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1r6r h ALA 49 CO -0.00 -0.22 -0.44 1.25 0.00 0.00 0.00 179.25 179.83 1r6r h LEU 50 N 0.35 -1.06 -1.49 0.00 5.85 -1.18 0.40 115.31 118.18 1r6r h LEU 50 Ca 0.26 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1r6r h LEU 50 Cb 0.30 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1r6r h LEU 50 CO -0.27 -0.72 0.35 0.58 -0.34 0.00 0.00 178.44 178.04 1r6r h VAL 51 N -1.17 1.12 -0.25 1.05 2.07 -1.12 -2.12 116.25 115.82 1r6r h VAL 51 Ca -0.11 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1r6r h VAL 51 Cb 0.91 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1r6r h VAL 51 CO 0.17 0.13 0.14 0.00 0.02 0.00 0.00 177.57 178.02 1r6r h ALA 52 N 1.68 0.33 0.09 1.67 0.00 0.24 0.47 119.26 123.73 1r6r h ALA 52 Ca 0.20 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1r6r h ALA 52 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1r6r h ALA 52 CO -0.05 -0.14 -0.34 0.35 0.00 0.00 0.00 179.25 179.07 1r6r h PHE 53 N 0.30 -0.93 -0.83 0.00 3.57 -0.26 0.47 116.94 119.25 1r6r h PHE 53 Ca 0.09 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1r6r h PHE 53 Cb 0.07 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1r6r h PHE 53 CO -0.03 -0.44 0.55 -0.07 -2.23 0.00 0.00 178.31 176.08 1r6r h LEU 54 N -0.55 0.91 0.00 0.59 -0.00 -1.27 0.20 115.31 115.18 1r6r h LEU 54 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1r6r h LEU 54 Cb 0.59 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1r6r h LEU 54 CO -0.22 0.64 0.00 -1.14 -0.00 0.00 0.00 178.44 177.72 1r6r n ARG 55 N -4.44 0.08 -0.02 1.13 0.00 0.16 0.72 116.66 114.30 1r6r n ARG 55 Ca 0.10 0.19 0.01 0.00 -0.00 0.00 0.00 57.85 58.15 1r6r n ARG 55 Cb 0.08 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.91 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 -1.43 0.37 -0.10 -0.14 3.01 0.14 -4.18 117.46 115.14 1r6r n PHE 56 Ca 0.05 0.12 -0.13 0.00 1.01 0.00 0.00 57.45 58.51 1r6r n PHE 56 Cb 0.17 -0.88 -0.10 0.00 -0.01 0.00 0.00 39.48 38.67 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 -2.65 2.50 0.00 4.37 4.77 -0.91 -4.88 117.00 120.20 1r6r n LEU 57 Ca -0.15 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1r6r n LEU 57 Cb 0.85 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1r6r n LEU 57 CO 0.44 0.76 0.00 0.41 -1.33 0.00 0.00 177.39 177.67 1r6r n THR 58 N -3.00 0.00 -3.51 -5.08 -1.04 -0.32 -5.06 114.28 96.26 1r6r n THR 58 Ca -0.34 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.44 1r6r n THR 58 Cb 0.90 0.73 0.04 0.00 -1.82 0.00 0.00 70.33 70.18 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 -7.02 -2.82 12.58 -0.00 0.22 -4.92 119.36 117.41 1r6r n ILE 59 Ca 0.00 -0.90 -0.38 0.00 -0.00 0.00 0.00 62.75 61.47 1r6r n ILE 59 Cb 0.00 -5.09 0.00 0.00 -0.00 0.00 0.00 39.64 34.55 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 -3.54 4.68 -2.07 0.38 -0.04 -1.26 -4.94 135.00 128.20 1r6r n PRO 60 Ca -0.09 -4.69 -0.40 0.00 -0.04 0.00 0.00 63.50 58.28 1r6r n PRO 60 Cb 0.59 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 -3.77 2.89 1.18 0.54 0.04 -1.26 -4.97 135.00 129.65 1r6r s PRO 61 Ca 0.39 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 1r6r s PRO 61 Cb 0.18 -4.31 0.23 0.00 0.04 0.00 0.00 34.50 30.64 1r6r s PRO 61 CO -0.08 -2.41 0.60 -2.37 0.04 0.00 0.00 177.00 172.79 1r6r n THR 62 N 7.23 0.00 -0.22 1.26 5.66 -1.26 -4.69 114.28 122.25 1r6r n THR 62 Ca 0.20 -0.42 0.03 0.00 -3.05 0.00 0.00 64.05 60.81 1r6r n THR 62 Cb 0.50 -0.84 0.13 0.00 -1.55 0.00 0.00 70.33 68.57 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 -2.52 0.72 -0.28 1.79 0.00 -0.34 -1.87 119.26 116.77 1r6r h ALA 63 Ca -0.60 0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1r6r h ALA 63 Cb 1.35 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 1r6r h ALA 63 CO 0.45 -0.39 -0.12 0.78 0.00 0.00 0.00 179.25 179.98 1r6r h GLY 64 N 0.15 0.13 -0.03 0.00 0.00 -1.85 0.13 103.07 101.60 1r6r h GLY 64 Ca 0.36 0.15 0.23 0.00 0.00 0.00 0.00 47.33 48.07 1r6r h GLY 64 CO -0.55 -0.14 0.62 -2.22 0.00 0.00 0.00 176.54 174.25 1r6r h ILE 65 N -0.07 0.59 0.00 2.60 1.08 -1.63 0.66 117.51 120.74 1r6r h ILE 65 Ca 0.14 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1r6r h ILE 65 Cb 0.29 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.99 1r6r h ILE 65 CO -0.33 0.11 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.00 1r6r h LEU 66 N 0.58 0.00 -1.54 1.44 -0.00 -1.25 -0.92 115.31 113.62 1r6r h LEU 66 Ca 0.60 -0.81 0.08 0.00 -0.00 0.00 0.00 57.88 57.76 1r6r h LEU 66 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.82 1r6r h LEU 66 CO -0.38 1.00 0.42 0.11 -0.00 0.00 0.00 178.44 179.59 1r6r h LYS 67 N -1.00 0.52 0.00 1.13 1.79 -0.26 -0.02 116.57 118.73 1r6r h LYS 67 Ca -0.04 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 1r6r h LYS 67 Cb 0.92 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1r6r h LYS 67 CO -0.03 0.34 -0.85 0.07 -1.08 0.00 0.00 179.45 177.90 1r6r h ARG 68 N 0.53 0.00 -1.01 3.15 0.11 0.21 -3.33 114.38 114.06 1r6r h ARG 68 Ca 0.29 0.00 0.24 0.00 0.10 0.00 0.00 59.98 60.61 1r6r h ARG 68 Cb 0.42 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.41 1r6r h ARG 68 CO -0.09 0.43 0.65 2.35 0.10 0.00 0.00 179.97 183.41 1r6r h TRP 69 N 0.00 0.67 -1.25 4.08 -0.00 0.48 -1.44 115.95 118.48 1r6r h TRP 69 Ca -0.06 0.02 -0.64 0.00 -0.00 0.00 0.00 58.89 58.21 1r6r h TRP 69 Cb 1.46 -0.20 -0.35 0.00 -0.00 0.00 0.00 29.16 30.07 1r6r h TRP 69 CO 0.00 0.10 0.10 0.41 -0.00 0.00 0.00 178.44 179.05 1r6r n GLY 70 N -1.47 5.98 0.70 2.65 0.00 -1.22 -4.50 105.19 107.33 1r6r n GLY 70 Ca 0.24 -2.54 -0.03 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.69 0.00 0.00 2.61 5.66 -0.55 -5.11 114.28 116.20 1r6r n THR 71 Ca 0.51 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.51 1r6r n THR 71 Cb 0.66 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 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 -0.03 1.09 -5.35 -1.20 -5.02 119.36 108.86 1r6r n ILE 72 Ca -0.14 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.31 1r6r n ILE 72 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 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 1.57 0.00 6.28 3.00 -1.26 -5.00 118.16 122.75 1r6r n LYS 73 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1r6r n LYS 73 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 33.91 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 -2.45 0.00 -0.30 1.64 4.76 -1.26 -4.46 118.16 116.10 1r6r n LYS 74 Ca -0.09 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.32 1r6r n LYS 74 Cb 0.63 -0.01 0.09 0.00 -1.84 0.00 0.00 35.03 33.90 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 0.89 0.06 4.39 4.64 -1.98 0.55 113.55 122.10 1r6r h SER 75 Ca 0.00 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 1r6r h SER 75 Cb 0.00 -0.21 0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1r6r h SER 75 CO 0.00 0.63 -0.89 0.50 -0.87 0.00 0.00 176.83 176.20 1r6r h LYS 76 N 1.05 0.50 0.19 4.77 1.63 -1.98 -2.18 116.57 120.55 1r6r h LYS 76 Ca 0.31 -0.62 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1r6r h LYS 76 Cb -0.06 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1r6r h LYS 76 CO -0.09 1.24 -0.09 0.00 -3.45 0.00 0.00 179.45 177.06 1r6r h ALA 77 N 0.28 -0.25 -0.49 5.00 0.00 -1.81 0.40 119.26 122.40 1r6r h ALA 77 Ca -0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1r6r h ALA 77 Cb 1.60 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1r6r h ALA 77 CO 0.17 -0.59 0.30 0.82 0.00 0.00 0.00 179.25 179.95 1r6r h ILE 78 N -0.35 1.15 -0.62 0.00 2.04 -0.02 0.13 117.51 119.85 1r6r h ILE 78 Ca -0.03 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1r6r h ILE 78 Cb 0.27 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1r6r h ILE 78 CO 0.04 0.15 0.25 0.78 0.00 0.00 0.00 178.15 179.38 1r6r h ASN 79 N 0.66 0.82 0.14 1.72 2.35 -1.23 -0.46 115.58 119.58 1r6r h ASN 79 Ca 0.18 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1r6r h ASN 79 Cb -0.01 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1r6r h ASN 79 CO -0.03 0.73 -0.07 0.58 -1.65 0.00 0.00 177.43 176.99 1r6r h VAL 80 N 0.88 0.92 -0.65 2.81 2.07 0.76 0.17 116.25 123.21 1r6r h VAL 80 Ca 0.21 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1r6r h VAL 80 Cb 0.16 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1r6r h VAL 80 CO -0.02 0.06 0.43 -0.07 0.02 0.00 0.00 177.57 177.99 1r6r h LEU 81 N -0.30 0.68 -0.40 2.57 4.07 -0.39 0.27 115.31 121.82 1r6r h LEU 81 Ca -0.02 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 1r6r h LEU 81 Cb 0.24 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1r6r h LEU 81 CO 0.03 0.47 -0.12 -0.09 -1.08 0.00 0.00 178.44 177.65 1r6r h ARG 82 N 0.79 0.78 -0.53 1.13 9.65 -0.64 -1.84 114.38 123.72 1r6r h ARG 82 Ca 0.26 -0.31 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 1r6r h ARG 82 Cb 0.05 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1r6r h ARG 82 CO -0.07 0.93 0.13 0.78 2.80 0.00 0.00 179.97 184.54 1r6r h GLY 83 N 0.59 0.87 1.28 2.80 0.00 0.64 -1.58 103.07 107.68 1r6r h GLY 83 Ca 0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1r6r h GLY 83 CO 0.04 0.47 0.31 0.74 0.00 0.00 0.00 176.54 178.11 1r6r h PHE 84 N 0.79 0.93 -0.55 5.60 0.04 -0.14 0.21 116.94 123.82 1r6r h PHE 84 Ca 0.17 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 1r6r h PHE 84 Cb 0.28 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1r6r h PHE 84 CO 0.02 0.68 0.31 -0.09 -0.60 0.00 0.00 178.31 178.63 1r6r h ARG 85 N 0.93 0.76 -0.15 1.51 2.43 -0.46 0.43 114.38 119.83 1r6r h ARG 85 Ca 0.23 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1r6r h ARG 85 Cb 0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1r6r h ARG 85 CO -0.03 0.58 -0.42 0.87 -1.51 0.00 0.00 179.97 179.46 1r6r h LYS 86 N 0.74 0.34 -0.30 0.20 6.56 -0.88 -1.43 116.57 121.79 1r6r h LYS 86 Ca 0.19 -0.17 -0.14 0.00 -1.06 0.00 0.00 60.65 59.47 1r6r h LYS 86 Cb 0.03 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1r6r h LYS 86 CO -0.03 0.70 -0.37 0.93 -2.06 0.00 0.00 179.45 178.62 1r6r h GLU 87 N 0.28 0.78 -0.40 3.15 5.08 0.18 -1.85 114.58 121.80 1r6r h GLU 87 Ca 0.02 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 57.88 1r6r h GLU 87 Cb 0.86 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1r6r h GLU 87 CO 0.07 1.07 -0.02 0.97 -1.00 0.00 0.00 179.01 180.09 1r6r h ILE 88 N 0.54 1.26 -0.54 3.13 2.10 -0.04 -0.89 117.51 123.08 1r6r h ILE 88 Ca 0.04 -1.06 0.03 0.00 1.08 0.00 0.00 64.86 64.95 1r6r h ILE 88 Cb 0.96 1.14 -0.03 0.00 -1.09 0.00 0.00 36.82 37.80 1r6r h ILE 88 CO 0.09 0.36 0.36 1.23 -1.08 0.00 0.00 178.15 179.10 1r6r h GLY 89 N 0.56 0.72 1.46 8.18 0.00 -1.22 0.03 103.07 112.79 1r6r h GLY 89 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1r6r h GLY 89 CO 0.03 0.23 -0.42 3.21 0.00 0.00 0.00 176.54 179.59 1r6r h ARG 90 N 0.64 0.60 -0.80 4.80 3.08 -0.77 -2.35 114.38 119.58 1r6r h ARG 90 Ca 0.21 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1r6r h ARG 90 Cb 0.06 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1r6r h ARG 90 CO -0.05 0.90 0.53 1.98 -1.07 0.00 0.00 179.97 182.26 1r6r h MET 91 N 0.49 0.97 -0.47 0.04 4.05 0.39 -0.24 114.93 120.17 1r6r h MET 91 Ca 0.04 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1r6r h MET 91 Cb 0.93 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 1r6r h MET 91 CO 0.08 0.64 0.02 -0.07 0.23 0.00 0.00 176.91 177.82 1r6r h LEU 92 N 1.00 0.79 -2.07 3.39 3.38 -1.08 0.76 115.31 121.49 1r6r h LEU 92 Ca 0.31 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1r6r h LEU 92 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1r6r h LEU 92 CO -0.09 0.89 0.34 0.78 0.09 0.00 0.00 178.44 180.45 1r6r h ASN 93 N 0.67 0.00 0.30 -0.43 2.35 -0.55 0.45 115.58 118.36 1r6r h ASN 93 Ca 0.14 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.55 1r6r h ASN 93 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1r6r h ASN 93 CO 0.02 0.00 -1.67 0.40 -1.65 0.00 0.00 177.43 174.53 1r6r h ILE 94 N 0.00 1.02 -0.50 2.81 2.04 -0.18 -3.33 117.51 119.37 1r6r h ILE 94 Ca 0.17 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1r6r h ILE 94 Cb 0.85 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1r6r h ILE 94 CO -0.00 0.83 0.00 0.00 0.00 0.00 0.00 178.15 178.98 1r6r n LEU 95 N -3.53 3.63 -0.11 1.44 -0.00 0.14 -3.89 117.00 114.68 1r6r n LEU 95 Ca -0.21 -1.83 0.02 0.00 -0.00 0.00 0.00 56.01 53.99 1r6r n LEU 95 Cb 1.06 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1r6r n LEU 95 CO 0.51 0.65 0.19 0.59 -0.00 0.00 0.00 177.39 179.33 1r6r n ASN 96 N 0.84 0.91 -1.25 1.45 3.02 0.13 -4.53 115.26 115.84 1r6r n ASN 96 Ca 0.19 -0.96 0.12 0.00 -0.03 0.00 0.00 54.58 53.90 1r6r n ASN 96 Cb 0.68 0.40 0.27 0.00 -0.61 0.00 0.00 39.78 40.52 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 -0.28 2.62 -0.03 3.52 0.63 -1.25 -4.44 116.66 117.43 1r6r n ARG 97 Ca 0.02 -2.48 0.11 0.00 -0.92 0.00 0.00 57.85 54.57 1r6r n ARG 97 Cb 0.10 -1.54 0.51 0.00 0.45 0.00 0.00 32.46 31.98 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 4.31 0.37 -0.83 -0.14 0.11 -1.79 -3.45 114.38 112.95 1r6r h ARG 98 Ca 0.00 -0.02 -0.28 0.00 0.10 0.00 0.00 59.98 59.78 1r6r h ARG 98 Cb 0.98 -0.08 -0.11 0.00 1.11 0.00 0.00 29.97 31.87 1r6r h ARG 98 CO 0.00 0.24 -0.26 -2.13 0.10 0.00 0.00 179.97 177.93 1r6r n ARG 99 N -4.47 -1.56 0.00 0.08 0.63 -1.26 -5.23 116.66 104.85 1r6r n ARG 99 Ca 0.07 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 1r6r n ARG 99 Cb 0.30 -5.25 0.00 0.00 0.45 0.00 0.00 32.46 27.96 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01