#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 -2.05 0.00 1.20 1.74 -1.26 -4.34 116.66 111.95 1r6r n ARG 22 Ca 0.00 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1r6r n ARG 22 Cb 0.00 -5.12 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 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 -3.03 0.00 1.30 1.55 3.14 -1.26 0.44 118.33 120.46 1r6r n VAL 23 Ca -0.14 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.27 1r6r n VAL 23 Cb 0.56 0.00 0.09 0.00 -1.06 0.00 0.00 33.84 33.43 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 -0.16 1.15 -0.10 6.55 7.64 -1.26 -3.88 113.62 123.56 1r6r n SER 24 Ca 0.00 -2.03 -0.21 0.00 1.01 0.00 0.00 58.87 57.64 1r6r n SER 24 Cb 0.00 -0.18 -0.12 0.00 -1.01 0.00 0.00 64.21 62.90 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 0.06 1.56 0.39 0.44 -1.04 -1.26 -4.20 114.28 110.24 1r6r n THR 25 Ca 0.06 -0.51 0.09 0.00 -2.04 0.00 0.00 64.05 61.65 1r6r n THR 25 Cb 0.20 -1.63 0.38 0.00 -1.82 0.00 0.00 70.33 67.46 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 -3.59 1.01 -0.32 12.58 3.14 -1.25 -3.09 118.33 126.81 1r6r n VAL 26 Ca -0.44 0.30 0.09 0.00 -2.96 0.00 0.00 64.34 61.33 1r6r n VAL 26 Cb 0.96 -1.16 0.31 0.00 -1.06 0.00 0.00 33.84 32.89 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 0.83 -0.61 1.45 1.08 -1.73 -2.33 115.11 113.79 1r6r h GLN 27 Ca 0.00 -0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.27 1r6r h GLN 27 Cb 0.26 -0.19 -0.12 0.00 -0.05 0.00 0.00 27.48 27.39 1r6r h GLN 27 CO 0.00 0.55 -0.14 -0.56 -0.95 0.00 0.00 178.83 177.73 1r6r h GLN 28 N 0.85 0.01 0.01 1.46 -0.00 -1.82 0.80 115.11 116.42 1r6r h GLN 28 Ca 0.47 -0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.93 1r6r h GLN 28 Cb 0.59 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.05 1r6r h GLN 28 CO -0.24 0.01 -0.88 1.37 -0.00 0.00 0.00 178.83 179.09 1r6r h LEU 29 N 0.01 0.07 -2.53 0.06 8.10 -1.73 -1.81 115.31 117.47 1r6r h LEU 29 Ca 0.30 -0.06 0.01 0.00 0.11 0.00 0.00 57.88 58.24 1r6r h LEU 29 Cb 0.46 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1r6r h LEU 29 CO -0.62 0.91 0.10 0.74 -4.11 0.00 0.00 178.44 175.46 1r6r h THR 30 N 0.02 0.25 0.00 0.15 2.02 -0.38 0.48 112.91 115.45 1r6r h THR 30 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1r6r h THR 30 Cb 1.54 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1r6r h THR 30 CO 0.12 0.00 -1.75 2.29 0.37 0.00 0.00 175.52 176.55 1r6r n LYS 31 N -3.42 0.78 0.03 6.66 2.85 -0.44 -4.47 118.16 120.14 1r6r n LYS 31 Ca -0.02 -0.10 0.11 0.00 -1.05 0.00 0.00 58.31 57.25 1r6r n LYS 31 Cb 0.18 -1.36 0.07 0.00 -0.65 0.00 0.00 35.03 33.28 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 -2.15 0.23 -0.29 -1.58 0.63 -0.65 -4.02 116.66 108.83 1r6r n ARG 32 Ca -0.08 0.01 0.05 0.00 -0.92 0.00 0.00 57.85 56.91 1r6r n ARG 32 Cb 0.53 -1.59 0.18 0.00 0.45 0.00 0.00 32.46 32.04 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 -1.89 0.71 -1.57 -0.14 -1.74 0.16 -4.05 117.46 108.93 1r6r n PHE 33 Ca 0.03 -0.29 -0.18 0.00 -0.56 0.00 0.00 57.45 56.44 1r6r n PHE 33 Cb 0.42 -0.12 0.12 0.00 1.52 0.00 0.00 39.48 41.42 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 0.49 4.45 0.00 5.98 7.64 -1.26 -4.00 113.62 126.93 1r6r n SER 34 Ca 0.13 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.24 1r6r n SER 34 Cb 0.47 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.97 0.46 -0.45 -3.43 4.77 -1.26 -4.93 117.00 111.20 1r6r n LEU 35 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1r6r n LEU 35 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1r6r n LEU 35 CO 0.42 0.02 0.24 0.61 -1.33 0.00 0.00 177.39 177.35 1r6r n GLY 36 N 2.88 0.53 0.11 -0.72 0.00 -1.26 -4.87 105.19 101.85 1r6r n GLY 36 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.07 1.61 4.05 -1.89 -1.02 114.93 117.60 1r6r h MET 37 Ca 0.00 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1r6r h MET 37 Cb 1.21 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1r6r h MET 37 CO 0.00 0.00 0.19 1.37 0.23 0.00 0.00 176.91 178.70 1r6r h LEU 38 N 0.00 0.00 -3.12 3.39 -0.00 -1.90 -0.30 115.31 113.38 1r6r h LEU 38 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1r6r h LEU 38 Cb 0.90 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.54 1r6r h LEU 38 CO 0.00 0.00 -0.10 1.67 -0.00 0.00 0.00 178.44 180.01 1r6r n GLN 39 N -3.27 1.84 -0.36 0.17 7.27 -1.25 -4.92 117.38 116.86 1r6r n GLN 39 Ca -0.01 -2.87 0.00 0.00 0.07 0.00 0.00 57.00 54.19 1r6r n GLN 39 Cb 0.28 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.27 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 -1.10 1.46 6.73 1.69 0.00 -0.12 -4.85 105.19 108.99 1r6r n GLY 40 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 0.00 0.05 1.61 3.00 -0.39 -4.41 116.66 114.53 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 -1.83 0.11 5.14 0.00 -1.26 -4.99 105.19 102.36 1r6r n GLY 42 Ca 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 0.11 -0.96 1.61 0.13 -2.01 -3.48 132.00 127.41 1r6r h PRO 43 Ca 0.00 -0.19 -0.27 0.00 -0.87 0.00 0.00 66.00 64.67 1r6r h PRO 43 Cb 0.00 0.07 -0.11 0.00 0.13 0.00 0.00 31.00 31.09 1r6r h PRO 43 CO 0.00 1.09 -0.24 -0.11 -0.23 0.00 0.00 178.00 178.51 1r6r n LEU 44 N -4.20 -0.79 -0.00 1.56 0.00 -1.26 -4.78 117.00 107.53 1r6r n LEU 44 Ca -0.26 0.32 -0.10 0.00 0.00 0.00 0.00 56.01 55.97 1r6r n LEU 44 Cb 0.76 -2.32 -0.14 0.00 0.00 0.00 0.00 43.42 41.72 1r6r n LEU 44 CO 0.31 -0.85 -0.47 0.07 0.00 0.00 0.00 177.39 176.45 1r6r h LYS 45 N 0.00 0.05 -0.78 1.96 2.10 -1.92 -3.38 116.57 114.60 1r6r h LYS 45 Ca -0.27 -0.08 0.29 0.00 -2.00 0.00 0.00 60.65 58.60 1r6r h LYS 45 Cb 1.02 0.03 -0.14 0.00 -0.90 0.00 0.00 32.23 32.24 1r6r h LYS 45 CO 0.39 0.67 0.31 -0.11 -2.00 0.00 0.00 179.45 178.71 1r6r n LEU 46 N -3.15 0.17 0.01 7.07 -0.00 -1.26 0.78 117.00 120.61 1r6r n LEU 46 Ca -0.17 1.30 -0.17 0.00 -0.00 0.00 0.00 56.01 56.97 1r6r n LEU 46 Cb 1.04 -0.59 -0.12 0.00 -0.00 0.00 0.00 43.42 43.75 1r6r n LEU 46 CO 0.45 -1.42 0.23 0.15 -0.00 0.00 0.00 177.39 176.81 1r6r h PHE 47 N 0.00 0.45 0.10 1.96 3.57 -1.99 -2.64 116.94 118.40 1r6r h PHE 47 Ca 0.61 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1r6r h PHE 47 Cb 1.53 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.23 1r6r h PHE 47 CO -0.12 1.14 -0.05 1.98 -2.23 0.00 0.00 178.31 179.03 1r6r h MET 48 N -0.36 -0.13 -0.29 1.11 4.05 0.13 -2.08 114.93 117.35 1r6r h MET 48 Ca -0.08 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1r6r h MET 48 Cb 1.32 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.12 1r6r h MET 48 CO 0.10 0.03 0.08 0.00 0.23 0.00 0.00 176.91 177.35 1r6r h ALA 49 N 0.61 0.32 0.80 0.39 0.00 0.25 0.54 119.26 122.17 1r6r h ALA 49 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1r6r h ALA 49 Cb 0.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r6r h ALA 49 CO 0.02 -0.33 -0.48 1.25 0.00 0.00 0.00 179.25 179.71 1r6r h LEU 50 N 0.19 -1.22 -1.60 0.00 5.85 -1.39 0.20 115.31 117.34 1r6r h LEU 50 Ca 0.13 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1r6r h LEU 50 Cb 0.12 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1r6r h LEU 50 CO -0.16 -0.75 0.09 0.58 -0.34 0.00 0.00 178.44 177.87 1r6r h VAL 51 N -1.20 1.11 0.00 1.05 2.07 -1.29 -2.43 116.25 115.56 1r6r h VAL 51 Ca -0.11 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1r6r h VAL 51 Cb 0.96 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1r6r h VAL 51 CO 0.11 0.13 -0.00 0.00 0.02 0.00 0.00 177.57 177.83 1r6r h ALA 52 N 1.75 -0.00 -0.04 1.67 0.00 0.52 0.43 119.26 123.59 1r6r h ALA 52 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1r6r h ALA 52 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1r6r h ALA 52 CO -0.01 -0.40 -0.41 0.35 0.00 0.00 0.00 179.25 178.78 1r6r h PHE 53 N -0.21 -1.18 -0.78 0.00 3.57 -0.15 0.47 116.94 118.67 1r6r h PHE 53 Ca -0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1r6r h PHE 53 Cb 0.21 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1r6r h PHE 53 CO -0.01 -0.49 0.52 -0.07 -2.23 0.00 0.00 178.31 176.03 1r6r h LEU 54 N -0.54 0.84 0.00 0.59 -0.00 -1.39 0.23 115.31 115.04 1r6r h LEU 54 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1r6r h LEU 54 Cb 0.64 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1r6r h LEU 54 CO -0.34 0.58 0.00 -1.14 -0.00 0.00 0.00 178.44 177.55 1r6r n ARG 55 N -4.44 0.11 -0.03 1.13 0.00 0.15 0.76 116.66 114.33 1r6r n ARG 55 Ca 0.10 0.19 0.04 0.00 -0.00 0.00 0.00 57.85 58.17 1r6r n ARG 55 Cb 0.10 -1.50 -0.15 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 -1.40 0.10 -0.11 -0.14 3.72 0.14 -4.22 117.46 115.55 1r6r n PHE 56 Ca 0.06 0.03 -0.15 0.00 -0.05 0.00 0.00 57.45 57.33 1r6r n PHE 56 Cb 0.16 -0.70 -0.10 0.00 -0.94 0.00 0.00 39.48 37.90 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 -2.46 2.86 0.00 4.37 4.77 -0.88 -4.88 117.00 120.77 1r6r n LEU 57 Ca -0.13 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1r6r n LEU 57 Cb 0.76 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1r6r n LEU 57 CO 0.45 0.82 0.00 0.41 -1.33 0.00 0.00 177.39 177.74 1r6r n THR 58 N -3.20 0.00 -3.57 -5.08 -1.04 -0.43 -5.06 114.28 95.90 1r6r n THR 58 Ca -0.38 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.36 1r6r n THR 58 Cb 0.89 0.93 0.05 0.00 -1.82 0.00 0.00 70.33 70.38 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 -6.68 -2.89 12.58 -0.00 0.23 -4.92 119.36 117.68 1r6r n ILE 59 Ca 0.00 -1.05 -0.38 0.00 -0.00 0.00 0.00 62.75 61.31 1r6r n ILE 59 Cb 0.04 -4.89 -0.00 0.00 -0.00 0.00 0.00 39.64 34.79 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 -3.94 4.52 -2.06 0.38 -0.04 -1.26 -4.94 135.00 127.65 1r6r n PRO 60 Ca -0.09 -4.66 -0.43 0.00 -0.04 0.00 0.00 63.50 58.28 1r6r n PRO 60 Cb 0.60 -2.43 -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 -3.49 3.61 1.07 0.54 0.04 -1.26 -4.97 135.00 130.53 1r6r s PRO 61 Ca 0.38 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 1r6r s PRO 61 Cb 0.15 -4.11 0.18 0.00 0.04 0.00 0.00 34.50 30.76 1r6r s PRO 61 CO -0.03 -1.53 0.77 -2.37 0.04 0.00 0.00 177.00 173.88 1r6r n THR 62 N 6.84 0.00 -0.22 1.26 5.66 -1.26 -4.77 114.28 121.79 1r6r n THR 62 Ca 0.20 -0.27 0.02 0.00 -3.05 0.00 0.00 64.05 60.96 1r6r n THR 62 Cb 0.46 -0.87 0.13 0.00 -1.55 0.00 0.00 70.33 68.51 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 -2.21 0.80 -0.63 1.79 0.00 -0.34 -1.51 119.26 117.17 1r6r h ALA 63 Ca -0.53 0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1r6r h ALA 63 Cb 1.31 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1r6r h ALA 63 CO 0.43 -0.31 0.32 0.78 0.00 0.00 0.00 179.25 180.46 1r6r h GLY 64 N 0.27 0.91 0.06 0.00 0.00 -1.85 -1.42 103.07 101.05 1r6r h GLY 64 Ca 0.35 -0.21 0.22 0.00 0.00 0.00 0.00 47.33 47.69 1r6r h GLY 64 CO -0.44 0.09 0.62 -2.22 0.00 0.00 0.00 176.54 174.60 1r6r h ILE 65 N 0.58 0.64 0.00 2.60 1.08 -1.58 0.63 117.51 121.46 1r6r h ILE 65 Ca 0.29 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1r6r h ILE 65 Cb 0.24 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1r6r h ILE 65 CO -0.22 0.11 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.28 1r6r h LEU 66 N 0.60 -0.01 -1.19 1.44 -0.00 -1.30 -1.27 115.31 113.58 1r6r h LEU 66 Ca 0.57 -0.79 0.05 0.00 -0.00 0.00 0.00 57.88 57.72 1r6r h LEU 66 Cb 1.12 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.73 1r6r h LEU 66 CO -0.34 0.88 0.56 0.11 -0.00 0.00 0.00 178.44 179.65 1r6r h LYS 67 N -0.98 0.97 0.00 1.13 1.79 -0.78 -0.71 116.57 117.99 1r6r h LYS 67 Ca -0.00 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.27 1r6r h LYS 67 Cb 0.79 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1r6r h LYS 67 CO 0.00 0.64 -0.66 0.07 -1.08 0.00 0.00 179.45 178.43 1r6r h ARG 68 N 1.00 0.00 -1.02 3.15 0.11 0.14 -3.26 114.38 114.50 1r6r h ARG 68 Ca 0.36 0.00 0.25 0.00 0.10 0.00 0.00 59.98 60.69 1r6r h ARG 68 Cb 0.14 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.12 1r6r h ARG 68 CO -0.12 0.66 0.65 2.35 0.10 0.00 0.00 179.97 183.60 1r6r h TRP 69 N 0.00 0.75 -1.37 4.08 -0.00 0.13 -1.59 115.95 117.94 1r6r h TRP 69 Ca -0.01 0.03 -0.65 0.00 -0.00 0.00 0.00 58.89 58.26 1r6r h TRP 69 Cb 1.37 -0.22 -0.35 0.00 -0.00 0.00 0.00 29.16 29.96 1r6r h TRP 69 CO 0.00 0.09 0.08 0.41 -0.00 0.00 0.00 178.44 179.01 1r6r n GLY 70 N -1.44 5.94 0.69 2.65 0.00 -1.22 -4.51 105.19 107.29 1r6r n GLY 70 Ca 0.25 -2.57 -0.03 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.64 0.00 0.00 2.61 5.66 -0.60 -5.10 114.28 116.21 1r6r n THR 71 Ca 0.49 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 1r6r n THR 71 Cb 0.61 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 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 -1.20 -5.02 119.36 108.86 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 0.50 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 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 2.04 0.00 6.28 3.00 -1.26 -5.00 118.16 123.22 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 -1.08 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 -2.33 0.00 -0.30 1.64 4.76 -1.26 -4.45 118.16 116.21 1r6r n LYS 74 Ca -0.06 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.35 1r6r n LYS 74 Cb 0.59 -0.01 0.08 0.00 -1.84 0.00 0.00 35.03 33.85 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 0.94 0.03 4.39 4.64 -1.98 0.61 113.55 122.18 1r6r h SER 75 Ca 0.00 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 1r6r h SER 75 Cb 0.00 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1r6r h SER 75 CO 0.00 0.68 -0.89 0.50 -0.87 0.00 0.00 176.83 176.25 1r6r h LYS 76 N 1.11 0.55 0.30 4.77 1.63 -1.99 -2.13 116.57 120.81 1r6r h LYS 76 Ca 0.31 -0.63 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 1r6r h LYS 76 Cb -0.12 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1r6r h LYS 76 CO -0.07 1.25 -0.14 0.00 -3.45 0.00 0.00 179.45 177.03 1r6r h ALA 77 N 0.33 -0.40 -0.75 5.00 0.00 -1.81 0.17 119.26 121.81 1r6r h ALA 77 Ca -0.12 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1r6r h ALA 77 Cb 1.58 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 1r6r h ALA 77 CO 0.17 -0.64 0.47 0.82 0.00 0.00 0.00 179.25 180.08 1r6r h ILE 78 N -0.57 1.10 -0.77 0.00 2.04 0.11 0.70 117.51 120.12 1r6r h ILE 78 Ca -0.04 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1r6r h ILE 78 Cb 0.42 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1r6r h ILE 78 CO 0.07 0.17 0.32 0.78 0.00 0.00 0.00 178.15 179.49 1r6r h ASN 79 N 0.91 1.04 -0.24 1.72 2.35 -1.23 -0.48 115.58 119.65 1r6r h ASN 79 Ca 0.30 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1r6r h ASN 79 Cb 0.03 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1r6r h ASN 79 CO -0.12 0.92 0.14 0.58 -1.65 0.00 0.00 177.43 177.30 1r6r h VAL 80 N 1.10 1.02 -0.79 2.81 2.07 0.51 0.22 116.25 123.19 1r6r h VAL 80 Ca 0.26 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1r6r h VAL 80 Cb 0.19 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1r6r h VAL 80 CO -0.02 0.05 0.52 -0.07 0.02 0.00 0.00 177.57 178.07 1r6r h LEU 81 N 0.29 0.91 -0.52 2.57 4.07 -0.43 0.25 115.31 122.44 1r6r h LEU 81 Ca 0.09 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.94 1r6r h LEU 81 Cb -0.00 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 1r6r h LEU 81 CO -0.05 0.66 -0.03 -0.09 -1.08 0.00 0.00 178.44 177.85 1r6r h ARG 82 N 1.07 0.93 -0.54 1.13 9.65 -0.19 -1.89 114.38 124.54 1r6r h ARG 82 Ca 0.29 -0.31 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 1r6r h ARG 82 Cb -0.12 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 1r6r h ARG 82 CO -0.06 0.97 0.12 0.78 2.80 0.00 0.00 179.97 184.57 1r6r h GLY 83 N 0.80 0.89 1.21 2.80 0.00 0.58 -1.75 103.07 107.60 1r6r h GLY 83 Ca 0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1r6r h GLY 83 CO 0.03 0.49 0.38 0.74 0.00 0.00 0.00 176.54 178.19 1r6r h PHE 84 N 0.80 1.02 -0.77 5.60 0.04 -0.08 0.35 116.94 123.90 1r6r h PHE 84 Ca 0.17 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1r6r h PHE 84 Cb 0.31 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 1r6r h PHE 84 CO 0.02 0.72 0.41 -0.09 -0.60 0.00 0.00 178.31 178.77 1r6r h ARG 85 N 1.03 1.08 -0.06 1.51 1.12 -0.55 0.47 114.38 118.99 1r6r h ARG 85 Ca 0.26 -0.13 -0.13 0.00 -1.11 0.00 0.00 59.98 58.86 1r6r h ARG 85 Cb 0.06 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.80 1r6r h ARG 85 CO -0.04 0.81 -0.57 0.87 -3.11 0.00 0.00 179.97 177.93 1r6r h LYS 86 N 1.07 0.17 -0.26 0.20 6.56 -0.77 -0.90 116.57 122.63 1r6r h LYS 86 Ca 0.27 -0.11 -0.18 0.00 -1.06 0.00 0.00 60.65 59.57 1r6r h LYS 86 Cb 0.05 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1r6r h LYS 86 CO -0.04 0.69 -0.56 0.93 -2.06 0.00 0.00 179.45 178.40 1r6r h GLU 87 N 0.13 0.82 -0.30 3.15 5.08 0.66 -1.47 114.58 122.65 1r6r h GLU 87 Ca -0.00 -0.53 -0.17 0.00 -1.00 0.00 0.00 59.36 57.66 1r6r h GLU 87 Cb 1.04 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1r6r h GLU 87 CO 0.08 1.16 -0.48 0.97 -1.00 0.00 0.00 179.01 179.74 1r6r h ILE 88 N 0.62 1.28 -0.31 3.13 2.10 0.04 -1.17 117.51 123.21 1r6r h ILE 88 Ca 0.01 -1.67 -0.05 0.00 1.08 0.00 0.00 64.86 64.23 1r6r h ILE 88 Cb 1.16 1.56 -0.02 0.00 -1.09 0.00 0.00 36.82 38.44 1r6r h ILE 88 CO 0.12 0.54 -0.01 1.23 -1.08 0.00 0.00 178.15 178.95 1r6r h GLY 89 N 0.84 0.52 1.39 8.18 0.00 -1.10 -1.35 103.07 111.54 1r6r h GLY 89 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1r6r h GLY 89 CO 0.10 0.28 -0.36 3.21 0.00 0.00 0.00 176.54 179.78 1r6r h ARG 90 N 0.46 0.67 -0.96 4.80 3.08 -0.90 -2.31 114.38 119.23 1r6r h ARG 90 Ca 0.10 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.87 1r6r h ARG 90 Cb 0.33 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 1r6r h ARG 90 CO 0.01 0.93 0.62 1.98 -1.07 0.00 0.00 179.97 182.44 1r6r h MET 91 N 0.56 1.13 -0.62 0.04 4.05 -0.11 0.20 114.93 120.20 1r6r h MET 91 Ca 0.06 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1r6r h MET 91 Cb 0.88 -0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 1r6r h MET 91 CO 0.08 0.75 0.26 -0.07 0.23 0.00 0.00 176.91 178.16 1r6r h LEU 92 N 1.17 0.84 -2.07 3.39 3.38 -1.11 0.21 115.31 121.12 1r6r h LEU 92 Ca 0.39 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.31 1r6r h LEU 92 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1r6r h LEU 92 CO -0.14 0.76 0.35 -1.13 0.09 0.00 0.00 178.44 178.37 1r6r h ASN 93 N 0.86 0.00 0.30 -0.43 -0.73 -0.44 0.44 115.58 115.57 1r6r h ASN 93 Ca 0.21 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.04 1r6r h ASN 93 Cb 0.18 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 1r6r h ASN 93 CO -0.02 0.00 -1.69 0.40 -0.37 0.00 0.00 177.43 175.75 1r6r h ILE 94 N 0.00 0.99 -0.53 2.57 2.04 0.23 -3.27 117.51 119.53 1r6r h ILE 94 Ca 0.17 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1r6r h ILE 94 Cb 0.86 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 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 -3.51 4.06 -0.00 1.44 -0.00 0.22 -4.09 117.00 115.13 1r6r n LEU 95 Ca -0.22 -2.05 0.01 0.00 -0.00 0.00 0.00 56.01 53.75 1r6r n LEU 95 Cb 1.06 -0.53 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 1r6r n LEU 95 CO 0.50 0.67 -0.55 0.59 -0.00 0.00 0.00 177.39 178.61 1r6r n ASN 96 N 0.87 4.27 0.00 1.45 3.02 0.13 -4.56 115.26 120.44 1r6r n ASN 96 Ca 0.21 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 1r6r n ASN 96 Cb 0.77 1.05 0.62 0.00 -0.61 0.00 0.00 39.78 41.61 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 -1.69 0.40 0.02 3.52 0.63 -1.23 -3.53 116.66 114.78 1r6r n ARG 97 Ca -0.01 0.05 0.20 0.00 -0.92 0.00 0.00 57.85 57.17 1r6r n ARG 97 Cb 0.17 -1.50 0.70 0.00 0.45 0.00 0.00 32.46 32.28 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 0.00 -1.13 -0.14 0.11 -1.80 -3.44 114.38 107.98 1r6r h ARG 98 Ca 0.00 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.75 1r6r h ARG 98 Cb 0.20 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.14 1r6r h ARG 98 CO 0.00 0.00 -0.30 -2.13 0.10 0.00 0.00 179.97 177.64 1r6r n ARG 99 N -4.29 -1.41 0.00 0.08 0.63 -1.23 -5.23 116.66 105.22 1r6r n ARG 99 Ca 0.09 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 58.00 1r6r n ARG 99 Cb 0.59 -5.29 0.00 0.00 0.45 0.00 0.00 32.46 28.21 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01