#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 -1.46 -0.87 1.20 1.74 -1.26 -4.61 116.66 111.40 1r6r n ARG 22 Ca 0.00 0.79 -0.05 0.00 -0.77 0.00 0.00 57.85 57.82 1r6r n ARG 22 Cb 0.00 -5.12 -0.05 0.00 -1.02 0.00 0.00 32.46 26.27 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 -2.22 0.00 -0.35 1.55 3.14 -1.26 0.42 118.33 119.62 1r6r n VAL 23 Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1r6r n VAL 23 Cb 0.49 0.38 0.00 0.00 -1.06 0.00 0.00 33.84 33.65 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 1.42 -0.09 6.55 7.64 -1.26 -4.74 113.62 123.14 1r6r n SER 24 Ca -0.21 -1.76 -0.13 0.00 1.01 0.00 0.00 58.87 57.79 1r6r n SER 24 Cb 0.64 -0.02 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.38 1.11 0.38 0.44 -1.04 -1.26 -4.37 114.28 109.15 1r6r n THR 25 Ca 0.01 -0.45 0.08 0.00 -2.04 0.00 0.00 64.05 61.64 1r6r n THR 25 Cb 0.34 -1.12 0.34 0.00 -1.82 0.00 0.00 70.33 68.07 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 -3.01 1.09 -0.30 12.58 3.14 -1.26 -2.97 118.33 127.60 1r6r n VAL 26 Ca -0.33 0.31 0.03 0.00 -2.96 0.00 0.00 64.34 61.39 1r6r n VAL 26 Cb 0.88 -1.17 0.23 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 1.03 -0.57 1.45 1.08 -1.86 -2.23 115.11 114.01 1r6r h GLN 27 Ca 0.00 -0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.24 1r6r h GLN 27 Cb 0.23 -0.23 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 1r6r h GLN 27 CO 0.00 0.68 0.11 -0.56 -0.95 0.00 0.00 178.83 178.11 1r6r h GLN 28 N 1.06 0.23 0.00 1.46 -0.00 -1.84 -0.98 115.11 115.04 1r6r h GLN 28 Ca 0.38 -0.01 -0.19 0.00 -0.00 0.00 0.00 58.65 58.83 1r6r h GLN 28 Cb 0.14 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.48 27.54 1r6r h GLN 28 CO -0.13 0.16 -0.89 1.37 -0.00 0.00 0.00 178.83 179.33 1r6r h LEU 29 N 0.24 0.00 -2.07 0.06 8.10 -1.75 -1.76 115.31 118.13 1r6r h LEU 29 Ca 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.27 1r6r h LEU 29 Cb 0.43 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.64 1r6r h LEU 29 CO -0.38 0.89 -0.09 0.74 -4.11 0.00 0.00 178.44 175.49 1r6r h THR 30 N 0.00 0.63 0.00 0.15 2.02 -0.68 -0.94 112.91 114.09 1r6r h THR 30 Ca -0.01 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 1r6r h THR 30 Cb 1.66 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 1r6r h THR 30 CO 0.12 0.08 -1.95 2.29 0.37 0.00 0.00 175.52 176.43 1r6r n LYS 31 N -3.81 0.72 0.06 6.66 2.85 -0.47 -3.55 118.16 120.62 1r6r n LYS 31 Ca -0.02 -0.13 0.13 0.00 -1.05 0.00 0.00 58.31 57.23 1r6r n LYS 31 Cb 0.18 -1.45 0.37 0.00 -0.65 0.00 0.00 35.03 33.48 1r6r n LYS 31 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1r6r n ARG 32 N -2.28 0.20 -0.00 -1.58 1.74 -0.67 -3.59 116.66 110.47 1r6r n ARG 32 Ca -0.10 0.12 0.05 0.00 -0.77 0.00 0.00 57.85 57.15 1r6r n ARG 32 Cb 0.64 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 30.31 1r6r n ARG 32 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1r6r n PHE 33 N -2.01 0.00 -0.01 -1.55 -1.74 -0.39 -4.32 117.46 107.44 1r6r n PHE 33 Ca 0.05 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.78 1r6r n PHE 33 Cb 0.41 -0.24 -0.12 0.00 1.52 0.00 0.00 39.48 41.05 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 0.00 0.32 0.04 5.98 4.64 -1.66 -1.51 113.55 121.35 1r6r h SER 34 Ca -0.00 -0.83 -0.05 0.00 -0.47 0.00 0.00 61.79 60.43 1r6r h SER 34 Cb 0.47 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1r6r h SER 34 CO 0.00 1.12 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.85 1r6r h LEU 35 N -0.43 0.23 -3.75 5.97 4.07 -1.82 -1.77 115.31 117.80 1r6r h LEU 35 Ca -0.06 -0.05 -0.33 0.00 0.08 0.00 0.00 57.88 57.52 1r6r h LEU 35 Cb 1.20 -0.06 -0.20 0.00 1.08 0.00 0.00 40.66 42.69 1r6r h LEU 35 CO 0.08 0.40 0.36 0.61 -1.08 0.00 0.00 178.44 178.81 1r6r n GLY 36 N -0.81 4.32 0.24 0.83 0.00 -1.23 -4.48 105.19 104.06 1r6r n GLY 36 Ca -0.01 -1.09 0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 1.53 0.00 0.00 1.61 -1.53 -0.33 -2.78 114.93 113.43 1r6r h MET 37 Ca 0.41 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.67 1r6r h MET 37 Cb 2.39 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.44 1r6r h MET 37 CO 0.81 0.00 0.07 1.37 0.14 0.00 0.00 176.91 179.30 1r6r h LEU 38 N 0.00 0.00 -1.89 3.39 -0.00 -1.80 -2.26 115.31 112.74 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 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1r6r h LEU 38 CO 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 178.44 178.35 1r6r n GLN 39 N -2.65 0.91 -1.88 0.17 6.02 -1.20 -4.98 117.38 113.77 1r6r n GLN 39 Ca -0.02 -1.05 -0.21 0.00 -0.01 0.00 0.00 57.00 55.71 1r6r n GLN 39 Cb 0.12 -0.73 -0.06 0.00 1.02 0.00 0.00 30.24 30.59 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 -0.27 1.11 1.47 1.08 0.00 -0.85 -4.68 105.19 103.06 1r6r n GLY 40 Ca 0.02 -0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.61 -3.09 -0.01 1.61 3.00 -1.05 -4.75 116.66 109.76 1r6r n ARG 41 Ca -0.22 2.18 -0.01 0.00 -0.00 0.00 0.00 57.85 59.80 1r6r n ARG 41 Cb 0.68 -3.72 -0.00 0.00 0.00 0.00 0.00 32.46 29.42 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 -4.33 -0.55 0.11 5.14 0.00 -1.26 -4.78 105.19 99.52 1r6r n GLY 42 Ca -0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.18 0.16 -0.77 1.61 0.13 -1.99 -3.47 132.00 127.49 1r6r h PRO 43 Ca 0.00 -0.28 -0.23 0.00 -0.87 0.00 0.00 66.00 64.62 1r6r h PRO 43 Cb 0.13 0.10 -0.09 0.00 0.13 0.00 0.00 31.00 31.28 1r6r h PRO 43 CO 0.00 1.13 -0.21 -0.11 -0.23 0.00 0.00 178.00 178.59 1r6r n LEU 44 N -4.14 -0.53 0.09 1.56 7.94 -1.26 -4.78 117.00 115.88 1r6r n LEU 44 Ca -0.23 0.28 -0.02 0.00 -1.11 0.00 0.00 56.01 54.93 1r6r n LEU 44 Cb 0.79 -2.34 -0.05 0.00 0.53 0.00 0.00 43.42 42.36 1r6r n LEU 44 CO 0.36 -0.87 0.24 0.07 -1.11 0.00 0.00 177.39 176.08 1r6r h LYS 45 N 0.00 0.00 -0.84 1.96 2.10 -1.94 -3.34 116.57 114.51 1r6r h LYS 45 Ca -0.23 0.00 0.34 0.00 -2.00 0.00 0.00 60.65 58.76 1r6r h LYS 45 Cb 1.01 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.20 1r6r h LYS 45 CO 0.34 0.68 0.47 -0.11 -2.00 0.00 0.00 179.45 178.82 1r6r n LEU 46 N -3.24 0.27 -0.02 7.07 -0.00 -1.26 0.68 117.00 120.50 1r6r n LEU 46 Ca -0.00 1.31 -0.16 0.00 -0.00 0.00 0.00 56.01 57.16 1r6r n LEU 46 Cb 0.84 -0.64 -0.12 0.00 -0.00 0.00 0.00 43.42 43.50 1r6r n LEU 46 CO 0.43 -1.46 0.35 0.15 -0.00 0.00 0.00 177.39 176.86 1r6r h PHE 47 N 0.00 0.32 -0.18 1.96 3.57 -1.98 -2.65 116.94 117.99 1r6r h PHE 47 Ca 0.69 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.99 1r6r h PHE 47 Cb 1.87 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 1r6r h PHE 47 CO -0.01 1.00 0.04 1.98 -2.23 0.00 0.00 178.31 179.09 1r6r h MET 48 N -0.44 0.29 -0.05 1.11 4.05 0.05 -2.28 114.93 117.66 1r6r h MET 48 Ca -0.04 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1r6r h MET 48 Cb 1.09 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.82 1r6r h MET 48 CO 0.06 0.43 -0.13 0.00 0.23 0.00 0.00 176.91 177.51 1r6r h ALA 49 N 0.84 -0.11 0.92 0.39 0.00 0.05 0.51 119.26 121.87 1r6r h ALA 49 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1r6r h ALA 49 Cb 0.28 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1r6r h ALA 49 CO 0.00 -0.61 -0.48 1.25 0.00 0.00 0.00 179.25 179.41 1r6r h LEU 50 N -0.19 -1.17 -1.22 0.00 5.85 -1.44 -0.71 115.31 116.43 1r6r h LEU 50 Ca 0.06 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1r6r h LEU 50 Cb 0.28 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1r6r h LEU 50 CO -0.16 -0.79 0.54 0.58 -0.34 0.00 0.00 178.44 178.27 1r6r h VAL 51 N -1.29 1.13 0.34 1.05 2.07 -1.37 -2.50 116.25 115.69 1r6r h VAL 51 Ca -0.13 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1r6r h VAL 51 Cb 1.00 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1r6r h VAL 51 CO 0.18 0.18 -0.16 0.00 0.02 0.00 0.00 177.57 177.79 1r6r h ALA 52 N 1.52 -0.46 -0.27 1.67 0.00 0.23 0.47 119.26 122.43 1r6r h ALA 52 Ca 0.33 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1r6r h ALA 52 Cb 0.05 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1r6r h ALA 52 CO -0.10 -0.75 -0.31 0.35 0.00 0.00 0.00 179.25 178.44 1r6r h PHE 53 N -0.46 -0.85 -0.89 0.00 3.57 -0.80 0.26 116.94 117.77 1r6r h PHE 53 Ca -0.05 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1r6r h PHE 53 Cb 0.35 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1r6r h PHE 53 CO -0.05 -0.38 0.59 -0.07 -2.23 0.00 0.00 178.31 176.17 1r6r h LEU 54 N -0.31 0.99 -0.91 0.59 3.38 -1.27 0.11 115.31 117.90 1r6r h LEU 54 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1r6r h LEU 54 Cb 0.53 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1r6r h LEU 54 CO -0.44 0.70 0.00 -1.14 0.09 0.00 0.00 178.44 177.64 1r6r n ARG 55 N -4.42 0.16 0.03 1.13 0.00 0.16 0.11 116.66 113.83 1r6r n ARG 55 Ca 0.11 0.49 0.07 0.00 -0.00 0.00 0.00 57.85 58.52 1r6r n ARG 55 Cb 0.07 -1.88 -0.10 0.00 0.00 0.00 0.00 32.46 30.55 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 -2.20 0.52 -0.08 -0.14 3.72 0.40 -4.16 117.46 115.51 1r6r n PHE 56 Ca 0.01 0.16 -0.11 0.00 -0.05 0.00 0.00 57.45 57.46 1r6r n PHE 56 Cb 0.16 -0.82 -0.08 0.00 -0.94 0.00 0.00 39.48 37.80 1r6r n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1r6r n LEU 57 N -2.57 2.40 0.00 4.37 4.77 -0.83 -4.90 117.00 120.25 1r6r n LEU 57 Ca -0.07 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1r6r n LEU 57 Cb 0.67 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1r6r n LEU 57 CO 0.43 0.70 0.00 0.41 -1.33 0.00 0.00 177.39 177.60 1r6r n THR 58 N -2.89 0.00 -3.53 -5.08 -1.04 0.38 -5.06 114.28 97.06 1r6r n THR 58 Ca -0.28 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.48 1r6r n THR 58 Cb 0.84 0.72 0.05 0.00 -1.82 0.00 0.00 70.33 70.12 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 -6.92 -2.86 12.58 -0.00 0.31 -4.92 119.36 117.55 1r6r n ILE 59 Ca 0.00 -0.97 -0.38 0.00 -0.00 0.00 0.00 62.75 61.40 1r6r n ILE 59 Cb 0.01 -5.03 -0.00 0.00 -0.00 0.00 0.00 39.64 34.62 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 -3.70 4.59 -2.17 0.38 -0.04 -1.26 -4.94 135.00 127.86 1r6r n PRO 60 Ca -0.09 -4.67 -0.43 0.00 -0.04 0.00 0.00 63.50 58.28 1r6r n PRO 60 Cb 0.60 -2.43 -0.02 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 -3.60 3.68 1.07 0.54 0.04 -1.26 -4.98 135.00 130.49 1r6r s PRO 61 Ca 0.38 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1r6r s PRO 61 Cb 0.16 -4.05 0.20 0.00 0.04 0.00 0.00 34.50 30.85 1r6r s PRO 61 CO -0.05 -1.43 0.86 2.41 0.04 0.00 0.00 177.00 178.83 1r6r n THR 62 N 6.71 0.00 -0.25 1.26 -1.04 -1.26 -4.77 114.28 114.92 1r6r n THR 62 Ca 0.19 -0.27 0.06 0.00 -2.04 0.00 0.00 64.05 61.98 1r6r n THR 62 Cb 0.46 -0.91 0.19 0.00 -1.82 0.00 0.00 70.33 68.25 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 -2.27 0.99 -0.54 2.41 0.00 -0.38 -1.10 119.26 118.36 1r6r h ALA 63 Ca -0.53 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1r6r h ALA 63 Cb 1.31 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1r6r h ALA 63 CO 0.44 -0.32 0.28 0.78 0.00 0.00 0.00 179.25 180.43 1r6r h GLY 64 N 0.30 0.76 -0.20 0.00 0.00 -1.89 -1.31 103.07 100.73 1r6r h GLY 64 Ca 0.42 -0.20 0.27 0.00 0.00 0.00 0.00 47.33 47.82 1r6r h GLY 64 CO -0.49 0.13 0.64 -2.22 0.00 0.00 0.00 176.54 174.60 1r6r h ILE 65 N 0.55 0.50 0.00 2.60 1.08 -1.50 0.65 117.51 121.39 1r6r h ILE 65 Ca 0.24 -0.16 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 1r6r h ILE 65 Cb 0.13 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1r6r h ILE 65 CO -0.16 0.08 -0.26 -0.07 -0.69 0.00 0.00 178.15 177.06 1r6r h LEU 66 N 0.46 0.00 -1.55 1.44 -0.00 -1.35 -1.49 115.31 112.82 1r6r h LEU 66 Ca 0.63 -0.81 0.07 0.00 -0.00 0.00 0.00 57.88 57.77 1r6r h LEU 66 Cb 1.44 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.07 1r6r h LEU 66 CO -0.39 1.06 0.40 0.11 -0.00 0.00 0.00 178.44 179.62 1r6r h LYS 67 N -1.00 0.53 0.00 1.13 1.79 -0.58 -0.78 116.57 117.66 1r6r h LYS 67 Ca -0.07 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.15 1r6r h LYS 67 Cb 0.98 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.48 1r6r h LYS 67 CO -0.04 0.35 -1.11 0.07 -1.08 0.00 0.00 179.45 177.64 1r6r h ARG 68 N 0.54 0.00 -1.04 3.15 0.11 0.18 -3.31 114.38 114.02 1r6r h ARG 68 Ca 0.27 0.00 0.27 0.00 0.10 0.00 0.00 59.98 60.62 1r6r h ARG 68 Cb 0.35 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.35 1r6r h ARG 68 CO -0.08 0.88 0.70 2.35 0.10 0.00 0.00 179.97 183.92 1r6r h TRP 69 N 0.00 0.43 -1.36 4.08 2.91 -0.02 -1.69 115.95 120.30 1r6r h TRP 69 Ca -0.06 0.01 -0.62 0.00 1.13 0.00 0.00 58.89 59.35 1r6r h TRP 69 Cb 1.80 -0.12 -0.38 0.00 -0.51 0.00 0.00 29.16 29.94 1r6r h TRP 69 CO 0.00 0.05 -0.23 0.41 -1.03 0.00 0.00 178.44 177.64 1r6r n GLY 70 N -1.57 6.00 0.70 2.65 0.00 -1.21 -4.59 105.19 107.17 1r6r n GLY 70 Ca 0.24 -2.64 -0.03 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.60 0.00 0.00 2.61 5.66 -0.64 -5.09 114.28 116.22 1r6r n THR 71 Ca 0.46 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 1r6r n THR 71 Cb 0.66 0.23 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 -0.02 1.09 -5.35 -1.21 -5.01 119.36 108.87 1r6r n ILE 72 Ca -0.13 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.33 1r6r n ILE 72 Cb 0.47 0.00 -0.02 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 1.38 0.00 6.28 3.00 -1.26 -5.00 118.16 122.56 1r6r n LYS 73 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1r6r n LYS 73 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 33.96 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 -2.41 0.00 -0.28 1.64 4.76 -1.26 -4.48 118.16 116.12 1r6r n LYS 74 Ca -0.05 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 1r6r n LYS 74 Cb 0.57 -0.06 0.19 0.00 -1.84 0.00 0.00 35.03 33.89 1r6r n LYS 74 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1r6r h SER 75 N 0.00 0.99 0.02 4.39 0.02 -1.98 0.64 113.55 117.63 1r6r h SER 75 Ca 0.00 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 1r6r h SER 75 Cb 0.00 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.31 1r6r h SER 75 CO 0.00 0.72 -0.62 0.11 -1.14 0.00 0.00 176.83 175.90 1r6r h LYS 76 N 1.17 0.38 0.26 3.45 1.57 -1.99 -2.12 116.57 119.28 1r6r h LYS 76 Ca 0.31 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1r6r h LYS 76 Cb -0.13 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1r6r h LYS 76 CO -0.07 1.12 -0.13 0.00 -0.57 0.00 0.00 179.45 179.80 1r6r h ALA 77 N 0.28 -0.35 -0.79 3.86 0.00 -1.80 0.26 119.26 120.71 1r6r h ALA 77 Ca -0.08 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1r6r h ALA 77 Cb 1.35 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1r6r h ALA 77 CO 0.12 -0.64 0.50 0.82 0.00 0.00 0.00 179.25 180.05 1r6r h ILE 78 N -0.47 1.10 -0.63 0.00 2.04 0.17 0.17 117.51 119.89 1r6r h ILE 78 Ca -0.04 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1r6r h ILE 78 Cb 0.35 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1r6r h ILE 78 CO 0.06 0.18 0.14 0.78 0.00 0.00 0.00 178.15 179.30 1r6r h ASN 79 N 0.96 0.97 -0.42 1.72 2.35 -1.18 -1.23 115.58 118.75 1r6r h ASN 79 Ca 0.32 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1r6r h ASN 79 Cb 0.04 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1r6r h ASN 79 CO -0.12 0.96 0.25 0.58 -1.65 0.00 0.00 177.43 177.45 1r6r h VAL 80 N 0.94 1.04 -0.88 2.81 2.07 0.62 0.11 116.25 122.96 1r6r h VAL 80 Ca 0.20 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1r6r h VAL 80 Cb 0.38 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1r6r h VAL 80 CO 0.01 0.09 0.58 -0.07 0.02 0.00 0.00 177.57 178.19 1r6r h LEU 81 N 0.50 0.92 -0.71 2.57 4.07 -0.26 0.18 115.31 122.58 1r6r h LEU 81 Ca 0.17 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.02 1r6r h LEU 81 Cb 0.02 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 1r6r h LEU 81 CO -0.08 0.62 -0.10 -0.09 -1.08 0.00 0.00 178.44 177.70 1r6r h ARG 82 N 1.06 0.89 -0.73 1.13 9.65 -0.02 -1.98 114.38 124.39 1r6r h ARG 82 Ca 0.36 -0.31 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1r6r h ARG 82 Cb 0.10 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1r6r h ARG 82 CO -0.12 0.95 0.23 0.78 2.80 0.00 0.00 179.97 184.61 1r6r h GLY 83 N 0.97 1.21 1.16 2.80 0.00 0.11 -1.80 103.07 107.52 1r6r h GLY 83 Ca 0.13 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.76 1r6r h GLY 83 CO 0.04 0.67 0.55 0.74 0.00 0.00 0.00 176.54 178.54 1r6r h PHE 84 N 1.07 1.03 -0.73 5.60 0.04 -0.30 0.39 116.94 124.05 1r6r h PHE 84 Ca 0.24 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.99 1r6r h PHE 84 Cb 0.30 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1r6r h PHE 84 CO 0.02 0.64 0.31 -0.09 -0.60 0.00 0.00 178.31 178.60 1r6r h ARG 85 N 1.11 1.06 -0.08 1.51 1.12 -0.61 0.40 114.38 118.89 1r6r h ARG 85 Ca 0.31 -0.17 -0.19 0.00 -1.11 0.00 0.00 59.98 58.82 1r6r h ARG 85 Cb -0.10 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 29.67 1r6r h ARG 85 CO -0.07 0.85 -0.75 0.87 -3.11 0.00 0.00 179.97 177.76 1r6r h LYS 86 N 1.05 0.46 -0.46 0.20 6.56 -0.50 -1.74 116.57 122.13 1r6r h LYS 86 Ca 0.25 -0.38 -0.14 0.00 -1.06 0.00 0.00 60.65 59.32 1r6r h LYS 86 Cb 0.17 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1r6r h LYS 86 CO -0.03 1.02 -0.25 0.93 -2.06 0.00 0.00 179.45 179.07 1r6r h GLU 87 N 0.31 0.98 -0.17 3.15 4.39 0.39 -1.90 114.58 121.73 1r6r h GLU 87 Ca -0.04 -0.43 -0.12 0.00 0.34 0.00 0.00 59.36 59.11 1r6r h GLU 87 Cb 1.34 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1r6r h GLU 87 CO 0.13 1.11 -0.43 0.97 -1.16 0.00 0.00 179.01 179.63 1r6r h ILE 88 N 0.84 1.31 -0.40 3.13 6.09 -0.18 -1.84 117.51 126.46 1r6r h ILE 88 Ca 0.10 -1.59 -0.06 0.00 -1.37 0.00 0.00 64.86 61.94 1r6r h ILE 88 Cb 0.83 1.65 -0.02 0.00 0.47 0.00 0.00 36.82 39.75 1r6r h ILE 88 CO 0.07 0.49 -0.00 1.23 -3.07 0.00 0.00 178.15 176.86 1r6r h GLY 89 N 1.16 0.70 1.38 8.18 0.00 -1.08 -1.78 103.07 111.63 1r6r h GLY 89 Ca 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1r6r h GLY 89 CO 0.07 0.41 -0.32 3.21 0.00 0.00 0.00 176.54 179.92 1r6r h ARG 90 N 0.61 0.70 -0.97 4.80 3.08 -0.90 -2.19 114.38 119.50 1r6r h ARG 90 Ca 0.13 -0.32 0.06 0.00 0.07 0.00 0.00 59.98 59.92 1r6r h ARG 90 Cb 0.39 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 1r6r h ARG 90 CO 0.01 0.92 0.63 1.98 -1.07 0.00 0.00 179.97 182.45 1r6r h MET 91 N 0.59 1.12 -0.57 0.04 4.05 -0.51 0.73 114.93 120.38 1r6r h MET 91 Ca 0.07 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1r6r h MET 91 Cb 0.83 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1r6r h MET 91 CO 0.07 0.74 0.13 -0.07 0.23 0.00 0.00 176.91 178.01 1r6r h LEU 92 N 1.15 0.87 -2.08 3.39 3.38 -1.05 0.10 115.31 121.07 1r6r h LEU 92 Ca 0.41 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1r6r h LEU 92 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1r6r h LEU 92 CO -0.16 0.88 0.34 -1.13 0.09 0.00 0.00 178.44 178.47 1r6r h ASN 93 N 0.82 0.00 0.33 -0.43 -0.73 -0.28 0.46 115.58 115.75 1r6r h ASN 93 Ca 0.18 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.02 1r6r h ASN 93 Cb 0.36 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 1r6r h ASN 93 CO 0.00 0.00 -1.75 0.40 -0.37 0.00 0.00 177.43 175.72 1r6r h ILE 94 N 0.00 0.89 -0.62 2.57 2.04 0.05 -3.17 117.51 119.26 1r6r h ILE 94 Ca 0.14 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1r6r h ILE 94 Cb 0.82 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1r6r h ILE 94 CO -0.00 0.78 0.00 0.00 0.00 0.00 0.00 178.15 178.93 1r6r n LEU 95 N -3.39 3.75 0.00 1.44 -0.00 0.17 -4.27 117.00 114.70 1r6r n LEU 95 Ca -0.22 -1.88 0.00 0.00 -0.00 0.00 0.00 56.01 53.90 1r6r n LEU 95 Cb 1.05 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1r6r n LEU 95 CO 0.47 0.82 -0.50 0.59 -0.00 0.00 0.00 177.39 178.77 1r6r n ASN 96 N 1.25 4.75 0.06 1.45 3.02 0.14 -4.62 115.26 121.31 1r6r n ASN 96 Ca 0.22 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.87 1r6r n ASN 96 Cb 0.64 0.40 0.41 0.00 -0.61 0.00 0.00 39.78 40.61 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 -2.09 0.09 -0.22 3.52 0.63 -1.20 -3.26 116.66 114.14 1r6r n ARG 97 Ca 0.00 0.30 0.25 0.00 -0.92 0.00 0.00 57.85 57.48 1r6r n ARG 97 Cb 0.50 -1.67 0.64 0.00 0.45 0.00 0.00 32.46 32.38 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 0.16 -2.37 -0.14 0.11 -1.82 -3.44 114.38 106.87 1r6r h ARG 98 Ca 0.00 -0.01 -0.31 0.00 0.10 0.00 0.00 59.98 59.76 1r6r h ARG 98 Cb 0.34 -0.04 -0.07 0.00 1.11 0.00 0.00 29.97 31.31 1r6r h ARG 98 CO 0.00 0.10 -0.34 -2.13 0.10 0.00 0.00 179.97 177.70 1r6r n ARG 99 N -4.38 -1.68 0.00 0.08 0.63 -1.20 -5.20 116.66 104.91 1r6r n ARG 99 Ca 0.20 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.96 1r6r n ARG 99 Cb 0.88 -5.29 0.00 0.00 0.45 0.00 0.00 32.46 28.51 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01