#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 -3.45 0.00 1.20 1.74 -1.26 -4.48 116.66 110.41 1r6r n ARG 22 Ca 0.00 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1r6r n ARG 22 Cb 0.00 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.11 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 -3.95 0.00 0.44 1.55 3.14 -1.26 0.27 118.33 118.53 1r6r n VAL 23 Ca -0.07 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.34 1r6r n VAL 23 Cb 0.58 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 33.51 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 -0.14 2.56 -0.11 6.55 7.64 -1.26 -3.88 113.62 124.98 1r6r n SER 24 Ca 0.00 -2.28 -0.13 0.00 1.01 0.00 0.00 58.87 57.47 1r6r n SER 24 Cb 0.00 -0.49 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.27 1.30 0.97 0.44 -1.04 -1.26 -4.30 114.28 110.66 1r6r n THR 25 Ca 0.11 -0.62 0.11 0.00 -2.04 0.00 0.00 64.05 61.61 1r6r n THR 25 Cb 0.54 -0.98 0.55 0.00 -1.82 0.00 0.00 70.33 68.61 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 -2.97 0.32 -0.30 12.58 3.14 -1.25 -3.48 118.33 126.37 1r6r n VAL 26 Ca -0.36 0.08 0.07 0.00 -2.96 0.00 0.00 64.34 61.16 1r6r n VAL 26 Cb 1.00 -0.69 0.27 0.00 -1.06 0.00 0.00 33.84 33.37 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 0.91 0.07 1.45 1.08 -1.75 -1.99 115.11 114.88 1r6r h GLN 27 Ca 0.00 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1r6r h GLN 27 Cb 0.31 -0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 1r6r h GLN 27 CO 0.00 0.60 -0.34 -0.56 -0.95 0.00 0.00 178.83 177.58 1r6r h GLN 28 N 0.94 -0.51 0.00 1.46 -0.00 -1.86 -1.16 115.11 113.97 1r6r h GLN 28 Ca 0.42 0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 59.06 1r6r h GLN 28 Cb 0.38 0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.97 1r6r h GLN 28 CO -0.19 -0.34 -0.25 1.37 -0.00 0.00 0.00 178.83 179.42 1r6r h LEU 29 N -0.53 0.00 -1.40 0.06 8.10 -1.77 -1.68 115.31 118.09 1r6r h LEU 29 Ca 0.04 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.97 1r6r h LEU 29 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 1r6r h LEU 29 CO -0.23 0.25 -0.29 0.74 -4.11 0.00 0.00 178.44 174.80 1r6r h THR 30 N 0.00 0.98 0.00 0.15 2.02 -0.55 -1.83 112.91 113.69 1r6r h THR 30 Ca -0.00 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1r6r h THR 30 Cb 0.75 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1r6r h THR 30 CO 0.03 0.28 -1.77 2.29 0.37 0.00 0.00 175.52 176.72 1r6r n LYS 31 N -3.87 0.65 0.10 6.66 2.85 -0.53 -3.44 118.16 120.58 1r6r n LYS 31 Ca -0.02 -0.12 -0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1r6r n LYS 31 Cb 0.37 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 33.13 1r6r n LYS 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1r6r h ARG 32 N 0.00 0.00 0.00 -1.58 3.08 -1.07 -3.21 114.38 111.60 1r6r h ARG 32 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r6r h ARG 32 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1r6r h ARG 32 CO 0.00 0.57 -1.76 1.97 -1.07 0.00 0.00 179.97 179.68 1r6r n PHE 33 N -3.20 0.22 0.15 3.04 -1.74 -0.71 -4.20 117.46 111.03 1r6r n PHE 33 Ca -0.01 0.07 0.04 0.00 -0.56 0.00 0.00 57.45 56.99 1r6r n PHE 33 Cb 0.80 -0.60 0.05 0.00 1.52 0.00 0.00 39.48 41.25 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 0.00 0.00 0.03 5.98 0.02 -1.66 -2.87 113.55 115.05 1r6r h SER 34 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1r6r h SER 34 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1r6r h SER 34 CO 0.00 0.40 -0.27 0.25 -1.14 0.00 0.00 176.83 176.07 1r6r h LEU 35 N 0.00 0.39 -4.78 5.07 5.85 -1.72 -3.28 115.31 116.84 1r6r h LEU 35 Ca -0.01 -0.13 -0.48 0.00 0.84 0.00 0.00 57.88 58.10 1r6r h LEU 35 Cb 1.31 -0.11 -0.41 0.00 0.37 0.00 0.00 40.66 41.83 1r6r h LEU 35 CO 0.05 0.65 -0.95 0.61 -0.34 0.00 0.00 178.44 178.47 1r6r n GLY 36 N -0.41 3.91 2.78 3.75 0.00 -1.23 -4.97 105.19 109.03 1r6r n GLY 36 Ca -0.01 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.27 2.04 0.01 1.61 0.00 -1.09 -4.14 117.12 115.28 1r6r n MET 37 Ca 0.25 -1.74 -0.03 0.00 0.00 0.00 0.00 57.70 56.18 1r6r n MET 37 Cb 0.73 -2.71 -0.01 0.00 0.00 0.00 0.00 33.22 31.22 1r6r n MET 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1r6r n LEU 38 N 5.53 0.86 -0.63 -0.89 4.32 -1.26 -4.84 117.00 120.09 1r6r n LEU 38 Ca 0.49 0.12 0.06 0.00 -0.02 0.00 0.00 56.01 56.67 1r6r n LEU 38 Cb 0.26 -0.29 0.16 0.00 -1.62 0.00 0.00 43.42 41.93 1r6r n LEU 38 CO 0.85 -0.35 0.35 1.67 -1.22 0.00 0.00 177.39 178.70 1r6r n GLN 39 N -3.47 1.25 -2.69 3.23 7.27 -1.26 -4.94 117.38 116.77 1r6r n GLN 39 Ca -0.05 -2.90 -0.18 0.00 0.07 0.00 0.00 57.00 53.94 1r6r n GLN 39 Cb 0.29 -1.32 0.02 0.00 2.41 0.00 0.00 30.24 31.63 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 -0.91 -0.33 6.07 1.69 0.00 -1.26 -4.71 105.19 105.74 1r6r n GLY 40 Ca 0.16 -0.07 0.03 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 -3.20 -0.47 -0.04 1.61 3.00 -1.26 -4.47 116.66 111.83 1r6r n ARG 41 Ca -0.14 0.31 -0.02 0.00 -0.00 0.00 0.00 57.85 58.00 1r6r n ARG 41 Cb 0.62 -0.57 -0.01 0.00 0.00 0.00 0.00 32.46 32.50 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 -0.68 -0.76 0.10 5.14 0.00 -1.26 -4.78 105.19 102.94 1r6r n GLY 42 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.52 0.00 -0.64 1.61 0.13 -1.97 -3.48 132.00 127.13 1r6r h PRO 43 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1r6r h PRO 43 Cb 0.26 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.31 1r6r h PRO 43 CO 0.00 0.79 -0.20 -0.11 -0.23 0.00 0.00 178.00 178.24 1r6r n LEU 44 N -4.47 -0.42 0.07 1.56 0.00 -1.26 -4.79 117.00 107.68 1r6r n LEU 44 Ca -0.27 0.27 -0.05 0.00 0.00 0.00 0.00 56.01 55.96 1r6r n LEU 44 Cb 0.59 -2.50 -0.09 0.00 0.00 0.00 0.00 43.42 41.41 1r6r n LEU 44 CO 0.17 -0.95 0.15 0.07 0.00 0.00 0.00 177.39 176.83 1r6r h LYS 45 N 0.00 0.00 -0.73 1.96 2.10 -1.95 -3.34 116.57 114.61 1r6r h LYS 45 Ca -0.23 0.00 0.30 0.00 -2.00 0.00 0.00 60.65 58.73 1r6r h LYS 45 Cb 1.10 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.29 1r6r h LYS 45 CO 0.33 0.87 0.38 -0.11 -2.00 0.00 0.00 179.45 178.92 1r6r n LEU 46 N -3.30 0.24 -0.04 7.07 -0.00 -1.26 0.60 117.00 120.31 1r6r n LEU 46 Ca -0.01 1.21 -0.15 0.00 -0.00 0.00 0.00 56.01 57.07 1r6r n LEU 46 Cb 0.91 -0.59 -0.13 0.00 -0.00 0.00 0.00 43.42 43.61 1r6r n LEU 46 CO 0.46 -1.35 0.35 0.15 -0.00 0.00 0.00 177.39 176.99 1r6r h PHE 47 N 0.00 0.11 -0.09 1.96 3.57 -1.98 -2.58 116.94 117.93 1r6r h PHE 47 Ca 0.61 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 62.05 1r6r h PHE 47 Cb 1.62 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 1r6r h PHE 47 CO -0.02 1.02 0.01 1.98 -2.23 0.00 0.00 178.31 179.07 1r6r h MET 48 N -0.83 0.04 -0.21 1.11 4.05 -0.05 -1.23 114.93 117.82 1r6r h MET 48 Ca -0.03 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1r6r h MET 48 Cb 1.08 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 1r6r h MET 48 CO 0.03 0.03 0.11 0.00 0.23 0.00 0.00 176.91 177.31 1r6r h ALA 49 N 1.07 0.26 0.93 0.39 0.00 0.04 0.45 119.26 122.39 1r6r h ALA 49 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1r6r h ALA 49 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r6r h ALA 49 CO -0.06 -0.29 -0.49 1.25 0.00 0.00 0.00 179.25 179.65 1r6r h LEU 50 N 0.24 -1.19 -2.01 0.00 5.85 -1.23 0.22 115.31 117.20 1r6r h LEU 50 Ca 0.08 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1r6r h LEU 50 Cb 0.00 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1r6r h LEU 50 CO -0.05 -0.80 -0.03 0.58 -0.34 0.00 0.00 178.44 177.81 1r6r h VAL 51 N -1.30 0.95 0.21 1.05 2.07 -1.20 -2.46 116.25 115.57 1r6r h VAL 51 Ca -0.13 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1r6r h VAL 51 Cb 1.01 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1r6r h VAL 51 CO 0.18 0.03 -0.10 0.00 0.02 0.00 0.00 177.57 177.69 1r6r h ALA 52 N 1.97 -0.29 -0.23 1.67 0.00 0.39 0.42 119.26 123.20 1r6r h ALA 52 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1r6r h ALA 52 Cb 0.05 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1r6r h ALA 52 CO 0.00 -0.53 -0.35 0.35 0.00 0.00 0.00 179.25 178.72 1r6r h PHE 53 N -0.56 -1.00 -0.68 0.00 3.57 -0.53 0.44 116.94 118.19 1r6r h PHE 53 Ca -0.03 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1r6r h PHE 53 Cb 0.41 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1r6r h PHE 53 CO 0.01 -0.42 0.45 -0.07 -2.23 0.00 0.00 178.31 176.05 1r6r h LEU 54 N -0.37 0.69 0.00 0.59 -0.00 -1.41 0.26 115.31 115.07 1r6r h LEU 54 Ca 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1r6r h LEU 54 Cb 0.57 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1r6r h LEU 54 CO -0.44 0.47 0.00 -1.14 -0.00 0.00 0.00 178.44 177.33 1r6r n ARG 55 N -4.46 0.10 -0.01 1.13 0.00 0.15 0.15 116.66 113.71 1r6r n ARG 55 Ca 0.09 0.17 0.11 0.00 -0.00 0.00 0.00 57.85 58.21 1r6r n ARG 55 Cb 0.14 -1.50 -0.17 0.00 0.00 0.00 0.00 32.46 30.93 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 -1.42 0.00 -0.09 -0.14 3.72 0.88 -4.40 117.46 116.02 1r6r n PHE 56 Ca 0.06 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 1r6r n PHE 56 Cb 0.18 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 38.15 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 -2.27 1.30 0.00 4.37 4.77 -0.91 -4.90 117.00 119.36 1r6r n LEU 57 Ca -0.05 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1r6r n LEU 57 Cb 0.58 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1r6r n LEU 57 CO 0.46 0.31 -0.01 0.41 -1.33 0.00 0.00 177.39 177.23 1r6r n THR 58 N -3.84 0.00 -3.59 -5.08 -1.04 -0.77 -5.06 114.28 94.91 1r6r n THR 58 Ca -0.34 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.05 61.26 1r6r n THR 58 Cb 0.72 0.94 0.05 0.00 -1.82 0.00 0.00 70.33 70.22 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 -0.30 -6.54 -2.97 12.58 -0.00 0.40 -4.92 119.36 117.61 1r6r n ILE 59 Ca 0.00 -1.00 -0.39 0.00 -0.00 0.00 0.00 62.75 61.36 1r6r n ILE 59 Cb 0.00 -4.79 -0.00 0.00 -0.00 0.00 0.00 39.64 34.85 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 -3.91 4.36 -2.05 0.38 -0.04 -1.26 -4.95 135.00 127.53 1r6r n PRO 60 Ca -0.09 -4.63 -0.43 0.00 -0.04 0.00 0.00 63.50 58.32 1r6r n PRO 60 Cb 0.59 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 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 -3.19 3.65 1.14 0.54 0.04 -1.26 -4.98 135.00 130.94 1r6r s PRO 61 Ca 0.36 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1r6r s PRO 61 Cb 0.11 -4.10 0.20 0.00 0.04 0.00 0.00 34.50 30.75 1r6r s PRO 61 CO 0.02 -1.48 0.58 -2.37 0.04 0.00 0.00 177.00 173.79 1r6r n THR 62 N 6.73 0.00 -0.32 1.26 5.66 -1.26 -4.79 114.28 121.57 1r6r n THR 62 Ca 0.20 -0.36 0.06 0.00 -3.05 0.00 0.00 64.05 60.90 1r6r n THR 62 Cb 0.46 -0.82 0.22 0.00 -1.55 0.00 0.00 70.33 68.63 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 -2.37 1.34 -0.25 1.79 0.00 -0.50 -2.31 119.26 116.97 1r6r h ALA 63 Ca -0.57 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1r6r h ALA 63 Cb 1.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1r6r h ALA 63 CO 0.44 0.07 0.16 0.78 0.00 0.00 0.00 179.25 180.70 1r6r h GLY 64 N 0.80 0.35 -0.43 0.00 0.00 -1.82 -1.85 103.07 100.12 1r6r h GLY 64 Ca 0.46 -0.13 0.33 0.00 0.00 0.00 0.00 47.33 47.99 1r6r h GLY 64 CO -0.30 0.13 0.79 -2.22 0.00 0.00 0.00 176.54 174.94 1r6r h ILE 65 N 0.33 0.40 0.00 2.60 1.08 -1.72 0.49 117.51 120.69 1r6r h ILE 65 Ca 0.09 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1r6r h ILE 65 Cb -0.04 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 33.91 1r6r h ILE 65 CO -0.02 0.03 -0.25 -0.07 -0.69 0.00 0.00 178.15 177.15 1r6r h LEU 66 N 0.19 0.00 -1.97 1.44 -0.00 -1.42 -1.64 115.31 111.91 1r6r h LEU 66 Ca 0.63 -0.52 0.08 0.00 -0.00 0.00 0.00 57.88 58.07 1r6r h LEU 66 Cb 2.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.67 1r6r h LEU 66 CO -0.19 0.90 0.22 0.11 -0.00 0.00 0.00 178.44 179.49 1r6r h LYS 67 N -1.00 0.04 0.02 1.13 1.79 -0.53 -0.63 116.57 117.38 1r6r h LYS 67 Ca -0.06 -0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.15 1r6r h LYS 67 Cb 0.70 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.31 1r6r h LYS 67 CO -0.03 0.02 -1.38 0.07 -1.08 0.00 0.00 179.45 177.05 1r6r h ARG 68 N 0.04 0.03 -1.02 3.15 0.11 -0.17 -3.34 114.38 113.18 1r6r h ARG 68 Ca 0.15 -0.06 0.28 0.00 0.10 0.00 0.00 59.98 60.45 1r6r h ARG 68 Cb 0.55 0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.59 1r6r h ARG 68 CO -0.01 0.80 0.70 2.35 0.10 0.00 0.00 179.97 183.91 1r6r h TRP 69 N 0.01 0.29 -1.40 4.08 -0.00 -0.09 -1.90 115.95 116.95 1r6r h TRP 69 Ca -0.16 0.01 -0.62 0.00 -0.00 0.00 0.00 58.89 58.12 1r6r h TRP 69 Cb 1.91 -0.09 -0.39 0.00 -0.00 0.00 0.00 29.16 30.60 1r6r h TRP 69 CO 0.01 0.04 -0.32 0.41 -0.00 0.00 0.00 178.44 178.58 1r6r n GLY 70 N -1.62 6.00 0.87 2.65 0.00 -1.22 -4.61 105.19 107.27 1r6r n GLY 70 Ca 0.23 -2.66 -0.03 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.57 0.00 0.00 2.61 5.66 -0.72 -5.09 114.28 116.17 1r6r n THR 71 Ca 0.45 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.40 1r6r n THR 71 Cb 0.65 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.07 0.00 -0.02 1.09 -5.35 -1.22 -5.01 119.36 108.78 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 0.49 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.37 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 1.06 0.00 6.28 3.00 -1.26 -5.00 118.16 122.23 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 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.95 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 -2.48 0.00 -0.18 1.64 4.76 -1.26 -4.51 118.16 116.13 1r6r n LYS 74 Ca -0.07 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.31 1r6r n LYS 74 Cb 0.58 -0.04 0.03 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 0.60 0.00 4.39 4.64 -1.98 0.58 113.55 121.78 1r6r h SER 75 Ca 0.00 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 1r6r h SER 75 Cb 0.00 -0.14 0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1r6r h SER 75 CO 0.00 0.43 -0.92 0.11 -0.87 0.00 0.00 176.83 175.59 1r6r h LYS 76 N 0.71 0.62 0.38 4.77 1.57 -1.99 -2.01 116.57 120.62 1r6r h LYS 76 Ca 0.20 -0.67 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1r6r h LYS 76 Cb -0.06 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1r6r h LYS 76 CO -0.05 1.27 -0.18 0.00 -0.57 0.00 0.00 179.45 179.91 1r6r h ALA 77 N 0.37 -0.51 -0.94 3.86 0.00 -1.83 0.41 119.26 120.62 1r6r h ALA 77 Ca -0.12 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1r6r h ALA 77 Cb 1.59 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1r6r h ALA 77 CO 0.18 -0.75 0.61 0.82 0.00 0.00 0.00 179.25 180.12 1r6r h ILE 78 N -0.59 1.19 -0.71 0.00 2.04 0.07 0.12 117.51 119.62 1r6r h ILE 78 Ca -0.05 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1r6r h ILE 78 Cb 0.44 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1r6r h ILE 78 CO 0.09 0.22 0.18 0.78 0.00 0.00 0.00 178.15 179.42 1r6r h ASN 79 N 1.21 1.06 -0.42 1.72 2.35 -1.10 -1.34 115.58 119.06 1r6r h ASN 79 Ca 0.36 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1r6r h ASN 79 Cb -0.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1r6r h ASN 79 CO -0.11 1.01 0.27 0.58 -1.65 0.00 0.00 177.43 177.54 1r6r h VAL 80 N 1.06 1.09 -0.29 2.81 2.07 0.11 -0.14 116.25 122.96 1r6r h VAL 80 Ca 0.22 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1r6r h VAL 80 Cb 0.36 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1r6r h VAL 80 CO -0.00 0.10 0.19 0.25 0.02 0.00 0.00 177.57 178.13 1r6r h LEU 81 N 0.55 0.26 -0.49 2.57 5.85 -0.32 0.44 115.31 124.16 1r6r h LEU 81 Ca 0.16 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1r6r h LEU 81 Cb -0.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1r6r h LEU 81 CO -0.05 0.18 -0.41 -0.09 -0.34 0.00 0.00 178.44 177.73 1r6r h ARG 82 N 0.30 0.78 -0.20 1.25 9.65 0.01 -1.87 114.38 124.31 1r6r h ARG 82 Ca 0.12 -0.42 -0.07 0.00 -1.10 0.00 0.00 59.98 58.51 1r6r h ARG 82 Cb 0.09 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1r6r h ARG 82 CO -0.02 1.05 -0.18 0.78 2.80 0.00 0.00 179.97 184.39 1r6r h GLY 83 N 0.89 0.37 1.13 2.80 0.00 0.68 -1.98 103.07 106.96 1r6r h GLY 83 Ca 0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1r6r h GLY 83 CO 0.09 0.24 -0.17 0.74 0.00 0.00 0.00 176.54 177.44 1r6r h PHE 84 N 0.31 1.14 -0.55 5.60 0.04 -0.66 0.42 116.94 123.23 1r6r h PHE 84 Ca 0.06 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.55 1r6r h PHE 84 Cb 0.51 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1r6r h PHE 84 CO 0.01 1.08 0.25 -0.09 -0.60 0.00 0.00 178.31 178.96 1r6r h ARG 85 N 0.88 0.78 0.06 1.51 2.43 -0.74 0.27 114.38 119.57 1r6r h ARG 85 Ca 0.12 -0.10 -0.24 0.00 -0.81 0.00 0.00 59.98 58.95 1r6r h ARG 85 Cb 0.74 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1r6r h ARG 85 CO 0.06 0.62 -1.07 -0.22 -1.51 0.00 0.00 179.97 177.85 1r6r h LYS 86 N 0.78 0.20 -0.37 0.20 1.63 -0.95 -2.24 116.57 115.82 1r6r h LYS 86 Ca 0.19 -0.30 -0.11 0.00 -0.85 0.00 0.00 60.65 59.58 1r6r h LYS 86 Cb 0.11 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1r6r h LYS 86 CO -0.02 1.09 -0.23 0.93 -3.45 0.00 0.00 179.45 177.77 1r6r h GLU 87 N 0.08 0.73 -0.29 1.90 5.08 0.64 -0.59 114.58 122.14 1r6r h GLU 87 Ca -0.08 -0.29 -0.18 0.00 -1.00 0.00 0.00 59.36 57.81 1r6r h GLU 87 Cb 1.78 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1r6r h GLU 87 CO 0.17 0.90 -0.52 0.97 -1.00 0.00 0.00 179.01 179.53 1r6r h ILE 88 N 0.64 1.28 -0.47 3.13 6.09 -0.51 -1.66 117.51 126.02 1r6r h ILE 88 Ca 0.09 -1.70 -0.01 0.00 -1.37 0.00 0.00 64.86 61.87 1r6r h ILE 88 Cb 0.73 1.64 -0.02 0.00 0.47 0.00 0.00 36.82 39.63 1r6r h ILE 88 CO 0.06 0.55 0.26 1.23 -3.07 0.00 0.00 178.15 177.18 1r6r h GLY 89 N 0.63 0.68 1.44 8.18 0.00 -1.16 -0.46 103.07 112.39 1r6r h GLY 89 Ca 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1r6r h GLY 89 CO 0.12 0.28 -0.30 3.21 0.00 0.00 0.00 176.54 179.84 1r6r h ARG 90 N 0.65 0.64 -1.00 4.80 3.08 -0.79 -2.40 114.38 119.36 1r6r h ARG 90 Ca 0.17 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1r6r h ARG 90 Cb 0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1r6r h ARG 90 CO -0.03 0.86 0.65 1.98 -1.07 0.00 0.00 179.97 182.36 1r6r h MET 91 N 0.54 1.18 -0.64 0.04 4.05 -0.14 0.52 114.93 120.49 1r6r h MET 91 Ca 0.07 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1r6r h MET 91 Cb 0.79 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1r6r h MET 91 CO 0.07 0.78 0.28 -0.07 0.23 0.00 0.00 176.91 178.20 1r6r h LEU 92 N 1.21 0.85 -2.16 3.39 3.38 -1.05 0.26 115.31 121.20 1r6r h LEU 92 Ca 0.41 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1r6r h LEU 92 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1r6r h LEU 92 CO -0.15 0.76 0.27 -1.13 0.09 0.00 0.00 178.44 178.28 1r6r h ASN 93 N 0.88 0.00 0.23 -0.43 -0.73 -0.45 0.41 115.58 115.49 1r6r h ASN 93 Ca 0.22 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 58.04 1r6r h ASN 93 Cb 0.15 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 1r6r h ASN 93 CO -0.02 0.00 -1.77 0.40 -0.37 0.00 0.00 177.43 175.67 1r6r h ILE 94 N 0.00 0.90 -0.46 2.57 2.04 0.33 -3.27 117.51 119.62 1r6r h ILE 94 Ca 0.11 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1r6r h ILE 94 Cb 0.65 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 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 -3.53 2.99 -0.00 1.44 -0.00 0.54 -3.89 117.00 114.55 1r6r n LEU 95 Ca -0.25 -1.50 0.02 0.00 -0.00 0.00 0.00 56.01 54.29 1r6r n LEU 95 Cb 1.07 -0.40 -0.03 0.00 -0.00 0.00 0.00 43.42 44.05 1r6r n LEU 95 CO 0.49 0.61 -0.33 0.59 -0.00 0.00 0.00 177.39 178.76 1r6r n ASN 96 N 0.80 2.41 -2.61 1.45 3.02 0.13 -4.70 115.26 115.76 1r6r n ASN 96 Ca 0.17 -0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 54.21 1r6r n ASN 96 Cb 0.53 1.12 -0.08 0.00 -0.61 0.00 0.00 39.78 40.74 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 -1.43 2.81 -0.01 3.52 0.63 -1.23 -4.08 116.66 116.87 1r6r n ARG 97 Ca -0.00 -2.16 -0.00 0.00 -0.92 0.00 0.00 57.85 54.76 1r6r n ARG 97 Cb 0.10 -2.25 -0.03 0.00 0.45 0.00 0.00 32.46 30.73 1r6r n ARG 97 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1r6r n ARG 98 N 1.73 2.38 -1.36 -0.14 1.85 -1.26 -5.00 116.66 114.86 1r6r n ARG 98 Ca 0.53 -0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 57.23 1r6r n ARG 98 Cb 0.57 -1.08 -0.06 0.00 -1.05 0.00 0.00 32.46 30.84 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 -1.95 -1.58 0.00 2.89 0.63 -1.26 -5.26 116.66 110.13 1r6r n ARG 99 Ca -0.04 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 1r6r n ARG 99 Cb 0.43 -5.25 0.00 0.00 0.45 0.00 0.00 32.46 28.10 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01