#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 -2.63 0.00 3.52 1.74 -1.26 -4.55 116.66 113.48 1r6r n ARG 22 Ca 0.00 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1r6r n ARG 22 Cb 0.00 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 25.87 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 -3.99 0.00 0.30 1.55 3.14 -1.26 0.80 118.33 118.87 1r6r n VAL 23 Ca -0.18 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.23 1r6r n VAL 23 Cb 0.65 0.00 0.17 0.00 -1.06 0.00 0.00 33.84 33.60 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 -0.14 2.85 -0.11 6.55 3.41 -1.26 -4.02 113.62 120.90 1r6r n SER 24 Ca 0.00 -2.34 -0.18 0.00 -0.26 0.00 0.00 58.87 56.08 1r6r n SER 24 Cb 0.00 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.33 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 0.29 1.22 0.47 6.66 -1.04 -1.26 -4.38 114.28 116.23 1r6r n THR 25 Ca 0.12 -0.41 0.06 0.00 -2.04 0.00 0.00 64.05 61.78 1r6r n THR 25 Cb 0.60 -1.46 0.28 0.00 -1.82 0.00 0.00 70.33 67.94 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 -3.45 1.06 -0.33 12.58 3.14 -1.26 -3.13 118.33 126.94 1r6r n VAL 26 Ca -0.40 0.26 0.05 0.00 -2.96 0.00 0.00 64.34 61.30 1r6r n VAL 26 Cb 0.87 -1.04 0.24 0.00 -1.06 0.00 0.00 33.84 32.85 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 0.99 -0.41 1.45 1.08 -1.76 -2.32 115.11 114.14 1r6r h GLN 27 Ca 0.00 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.21 1r6r h GLN 27 Cb 0.22 -0.22 -0.09 0.00 -0.05 0.00 0.00 27.48 27.33 1r6r h GLN 27 CO 0.00 0.66 -0.40 -0.56 -0.95 0.00 0.00 178.83 177.58 1r6r h GLN 28 N 1.02 -0.29 0.00 1.46 -0.00 -1.84 0.13 115.11 115.59 1r6r h GLN 28 Ca 0.44 0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.97 1r6r h GLN 28 Cb 0.32 0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 27.85 1r6r h GLN 28 CO -0.19 -0.19 -0.62 1.37 -0.00 0.00 0.00 178.83 179.19 1r6r h LEU 29 N -0.30 0.00 -1.25 0.06 8.10 -1.79 -1.57 115.31 118.56 1r6r h LEU 29 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.14 1r6r h LEU 29 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 1r6r h LEU 29 CO -0.57 0.62 0.00 0.74 -4.11 0.00 0.00 178.44 175.13 1r6r h THR 30 N 0.00 0.00 0.00 0.15 2.02 -0.47 0.94 112.91 115.55 1r6r h THR 30 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1r6r h THR 30 Cb 1.17 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1r6r h THR 30 CO 0.08 0.00 -1.44 2.29 0.37 0.00 0.00 175.52 176.82 1r6r n LYS 31 N -2.43 0.42 -0.01 6.66 2.85 0.28 -4.49 118.16 121.44 1r6r n LYS 31 Ca 0.00 -0.09 0.03 0.00 -1.05 0.00 0.00 58.31 57.20 1r6r n LYS 31 Cb 0.16 -1.24 -0.12 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.84 0.65 0.03 -1.58 0.63 -0.62 -4.16 116.66 109.78 1r6r n ARG 32 Ca -0.02 0.01 0.13 0.00 -0.92 0.00 0.00 57.85 57.05 1r6r n ARG 32 Cb 0.27 -1.64 0.47 0.00 0.45 0.00 0.00 32.46 32.01 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 -2.61 0.30 0.12 -0.14 -1.74 0.29 -3.83 117.46 109.85 1r6r n PHE 33 Ca -0.12 0.09 0.18 0.00 -0.56 0.00 0.00 57.45 57.04 1r6r n PHE 33 Cb 0.79 -0.60 0.62 0.00 1.52 0.00 0.00 39.48 41.81 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 -2.28 5.98 0.02 -1.77 -1.93 113.55 113.57 1r6r h SER 34 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1r6r h SER 34 Cb 0.59 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.71 1r6r h SER 34 CO 0.00 0.00 -0.60 0.00 -1.14 0.00 0.00 176.83 175.09 1r6r n LEU 35 N -3.26 4.46 0.07 5.07 -0.00 -1.25 -4.79 117.00 117.29 1r6r n LEU 35 Ca 0.07 -5.65 0.00 0.00 -0.00 0.00 0.00 56.01 50.44 1r6r n LEU 35 Cb 0.79 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1r6r n LEU 35 CO 0.20 2.31 0.00 0.61 -0.00 0.00 0.00 177.39 180.51 1r6r n GLY 36 N -0.09 -0.56 0.69 1.47 0.00 -0.72 -4.90 105.19 101.07 1r6r n GLY 36 Ca 0.31 0.08 0.51 0.00 0.00 0.00 0.00 46.02 46.92 1r6r n GLY 36 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1r6r h MET 37 N 0.00 0.00 -0.07 1.61 2.86 -1.87 0.51 114.93 117.97 1r6r h MET 37 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1r6r h MET 37 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1r6r h MET 37 CO 0.00 0.00 0.18 1.37 1.06 0.00 0.00 176.91 179.52 1r6r h LEU 38 N 0.00 0.00 -2.12 1.22 8.10 -1.92 -2.82 115.31 117.77 1r6r h LEU 38 Ca 0.89 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.83 1r6r h LEU 38 Cb 3.60 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 43.73 1r6r h LEU 38 CO -0.01 0.00 -0.56 1.67 -4.11 0.00 0.00 178.44 175.43 1r6r n GLN 39 N -3.28 0.00 -1.68 0.17 0.00 0.17 -4.97 117.38 107.79 1r6r n GLN 39 Ca -0.01 -1.12 -0.19 0.00 -0.00 0.00 0.00 57.00 55.68 1r6r n GLN 39 Cb 0.26 -0.29 -0.07 0.00 0.00 0.00 0.00 30.24 30.14 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r6r n GLY 40 N 0.11 1.48 7.00 1.69 0.00 -0.77 -4.64 105.19 110.06 1r6r n GLY 40 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.51 0.00 0.00 1.61 3.00 -0.87 -4.64 116.66 113.24 1r6r n ARG 41 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1r6r n ARG 41 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 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 -1.78 0.11 5.14 0.00 -1.26 -4.98 105.19 102.41 1r6r n GLY 42 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 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 0.16 -2.46 1.61 0.13 -2.00 -3.47 132.00 125.96 1r6r h PRO 43 Ca 0.00 -0.27 -0.32 0.00 -0.87 0.00 0.00 66.00 64.55 1r6r h PRO 43 Cb 0.00 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.16 1r6r h PRO 43 CO 0.00 1.13 -0.35 -0.11 -0.23 0.00 0.00 178.00 178.44 1r6r n LEU 44 N -4.17 -1.31 -0.05 1.56 0.00 -1.26 -4.79 117.00 106.97 1r6r n LEU 44 Ca -0.23 0.24 -0.01 0.00 0.00 0.00 0.00 56.01 56.02 1r6r n LEU 44 Cb 0.77 -2.37 -0.15 0.00 0.00 0.00 0.00 43.42 41.67 1r6r n LEU 44 CO 0.36 -0.47 -0.94 2.29 0.00 0.00 0.00 177.39 178.63 1r6r n LYS 45 N -2.49 0.80 -0.44 1.96 2.85 -1.26 -4.38 118.16 115.19 1r6r n LYS 45 Ca -0.17 -0.09 0.41 0.00 -1.05 0.00 0.00 58.31 57.41 1r6r n LYS 45 Cb 0.58 -1.48 0.77 0.00 -0.65 0.00 0.00 35.03 34.25 1r6r n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1r6r h LEU 46 N 0.00 0.01 -0.03 -5.58 4.07 -1.98 0.68 115.31 112.48 1r6r h LEU 46 Ca -0.28 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.50 1r6r h LEU 46 Cb 1.60 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.35 1r6r h LEU 46 CO 0.02 -0.00 -0.70 0.15 -1.08 0.00 0.00 178.44 176.82 1r6r h PHE 47 N 0.01 0.76 -0.16 1.13 3.57 -1.98 -2.52 116.94 117.74 1r6r h PHE 47 Ca 0.68 -0.39 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 1r6r h PHE 47 Cb 2.72 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 41.36 1r6r h PHE 47 CO -0.00 1.21 -0.36 1.98 -2.23 0.00 0.00 178.31 178.91 1r6r h MET 48 N 0.10 0.53 -0.70 1.11 4.05 -0.18 -2.44 114.93 117.40 1r6r h MET 48 Ca -0.08 -0.35 0.05 0.00 -0.28 0.00 0.00 59.70 59.04 1r6r h MET 48 Cb 1.38 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 32.18 1r6r h MET 48 CO 0.14 0.97 0.41 0.00 0.23 0.00 0.00 176.91 178.65 1r6r h ALA 49 N 0.57 0.94 0.39 0.39 0.00 -0.07 0.48 119.26 121.95 1r6r h ALA 49 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1r6r h ALA 49 Cb 0.96 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1r6r h ALA 49 CO 0.08 0.11 -0.19 1.25 0.00 0.00 0.00 179.25 180.50 1r6r h LEU 50 N 0.76 -0.44 -1.78 0.00 5.85 -1.46 -2.31 115.31 115.93 1r6r h LEU 50 Ca 0.30 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1r6r h LEU 50 Cb 0.15 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1r6r h LEU 50 CO -0.16 -0.02 -0.15 0.58 -0.34 0.00 0.00 178.44 178.35 1r6r h VAL 51 N -0.99 0.96 0.26 1.05 2.07 -1.38 -2.56 116.25 115.67 1r6r h VAL 51 Ca -0.05 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1r6r h VAL 51 Cb 0.53 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1r6r h VAL 51 CO 0.09 0.14 -0.13 0.00 0.02 0.00 0.00 177.57 177.69 1r6r h ALA 52 N 1.85 -0.35 -0.52 1.67 0.00 -0.03 0.42 119.26 122.30 1r6r h ALA 52 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1r6r h ALA 52 Cb 0.28 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1r6r h ALA 52 CO 0.02 -0.50 -0.13 0.35 0.00 0.00 0.00 179.25 178.99 1r6r h PHE 53 N -0.75 -0.28 -0.59 0.00 3.57 -1.25 0.57 116.94 118.21 1r6r h PHE 53 Ca -0.04 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1r6r h PHE 53 Cb 0.50 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1r6r h PHE 53 CO 0.04 -0.22 0.35 -0.07 -2.23 0.00 0.00 178.31 176.18 1r6r h LEU 54 N 0.00 0.72 0.00 0.59 4.07 -1.41 0.26 115.31 119.53 1r6r h LEU 54 Ca 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1r6r h LEU 54 Cb 0.38 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1r6r h LEU 54 CO -0.54 0.57 0.00 -1.14 -1.08 0.00 0.00 178.44 176.25 1r6r n ARG 55 N -4.62 0.42 -0.02 1.13 0.00 0.15 0.18 116.66 113.90 1r6r n ARG 55 Ca 0.04 0.05 0.05 0.00 -0.00 0.00 0.00 57.85 57.98 1r6r n ARG 55 Cb 0.06 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.89 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 -1.10 0.00 -0.07 -0.14 3.01 0.16 -4.47 117.46 114.85 1r6r n PHE 56 Ca 0.11 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.42 1r6r n PHE 56 Cb 0.08 -0.46 -0.05 0.00 -0.01 0.00 0.00 39.48 39.04 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 -2.18 1.41 0.00 4.37 4.77 -0.84 -4.89 117.00 119.64 1r6r n LEU 57 Ca -0.08 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1r6r n LEU 57 Cb 0.55 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1r6r n LEU 57 CO 0.34 0.39 -0.01 0.41 -1.33 0.00 0.00 177.39 177.18 1r6r n THR 58 N -3.51 0.00 -3.64 -5.08 -1.04 -0.82 -5.05 114.28 95.14 1r6r n THR 58 Ca -0.28 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.05 61.28 1r6r n THR 58 Cb 0.71 0.93 0.04 0.00 -1.82 0.00 0.00 70.33 70.20 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 -0.37 -6.06 -2.94 12.58 -0.00 0.47 -4.91 119.36 118.13 1r6r n ILE 59 Ca 0.00 -0.96 -0.39 0.00 -0.00 0.00 0.00 62.75 61.40 1r6r n ILE 59 Cb 0.00 -4.50 -0.00 0.00 -0.00 0.00 0.00 39.64 35.13 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 -4.08 4.42 -2.06 0.38 -0.04 -1.26 -4.91 135.00 127.45 1r6r n PRO 60 Ca -0.11 -4.64 -0.43 0.00 -0.04 0.00 0.00 63.50 58.28 1r6r n PRO 60 Cb 0.60 -2.44 -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 -3.30 3.97 0.91 0.54 0.04 -1.26 -4.97 135.00 130.93 1r6r s PRO 61 Ca 0.36 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 1r6r s PRO 61 Cb 0.13 -4.01 0.09 0.00 0.04 0.00 0.00 34.50 30.74 1r6r s PRO 61 CO -0.00 -1.09 0.82 2.41 0.04 0.00 0.00 177.00 179.18 1r6r n THR 62 N 5.97 0.32 -0.27 1.26 -1.04 -1.26 -4.80 114.28 114.46 1r6r n THR 62 Ca 0.18 -0.12 0.08 0.00 -2.04 0.00 0.00 64.05 62.15 1r6r n THR 62 Cb 0.44 -0.85 0.22 0.00 -1.82 0.00 0.00 70.33 68.32 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 -1.58 1.12 -0.78 2.41 0.00 0.07 -0.50 119.26 120.00 1r6r h ALA 63 Ca -0.44 0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1r6r h ALA 63 Cb 1.28 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1r6r h ALA 63 CO 0.39 -0.31 0.50 0.78 0.00 0.00 0.00 179.25 180.61 1r6r h GLY 64 N 0.35 1.13 0.02 0.00 0.00 -1.86 -1.78 103.07 100.93 1r6r h GLY 64 Ca 0.46 -0.38 0.24 0.00 0.00 0.00 0.00 47.33 47.65 1r6r h GLY 64 CO -0.50 0.34 0.64 -2.22 0.00 0.00 0.00 176.54 174.80 1r6r h ILE 65 N 0.99 0.59 0.00 2.60 1.08 -1.39 0.62 117.51 122.00 1r6r h ILE 65 Ca 0.31 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.56 1r6r h ILE 65 Cb -0.01 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.84 1r6r h ILE 65 CO -0.10 0.08 -0.41 -0.07 -0.69 0.00 0.00 178.15 176.96 1r6r h LEU 66 N 0.44 0.00 -1.77 1.44 -0.00 -1.39 -1.78 115.31 112.25 1r6r h LEU 66 Ca 0.56 -0.55 0.07 0.00 -0.00 0.00 0.00 57.88 57.96 1r6r h LEU 66 Cb 1.34 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 1r6r h LEU 66 CO -0.27 1.01 0.30 0.11 -0.00 0.00 0.00 178.44 179.59 1r6r h LYS 67 N -1.00 0.27 0.06 1.13 1.79 -0.94 -0.96 116.57 116.91 1r6r h LYS 67 Ca -0.10 -0.02 -0.26 0.00 -2.18 0.00 0.00 60.65 58.10 1r6r h LYS 67 Cb 0.83 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1r6r h LYS 67 CO -0.06 0.18 -1.30 0.07 -1.08 0.00 0.00 179.45 177.26 1r6r h ARG 68 N 0.28 0.12 -1.33 3.15 0.11 0.13 -3.33 114.38 113.50 1r6r h ARG 68 Ca 0.20 -0.21 0.40 0.00 0.10 0.00 0.00 59.98 60.46 1r6r h ARG 68 Cb 0.42 0.08 -0.09 0.00 1.11 0.00 0.00 29.97 31.49 1r6r h ARG 68 CO -0.04 1.00 0.91 2.35 0.10 0.00 0.00 179.97 184.29 1r6r h TRP 69 N 0.03 0.32 -1.07 4.08 -0.00 -0.23 0.12 115.95 119.20 1r6r h TRP 69 Ca -0.14 0.01 -0.63 0.00 -0.00 0.00 0.00 58.89 58.13 1r6r h TRP 69 Cb 1.91 -0.09 -0.35 0.00 -0.00 0.00 0.00 29.16 30.63 1r6r h TRP 69 CO 0.03 -0.05 0.10 0.41 -0.00 0.00 0.00 178.44 178.92 1r6r n GLY 70 N -1.65 6.05 1.31 2.65 0.00 -1.23 -4.55 105.19 107.77 1r6r n GLY 70 Ca 0.33 -2.51 -0.02 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.75 0.00 0.00 2.61 5.66 0.03 -5.12 114.28 116.70 1r6r n THR 71 Ca 0.52 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.32 1r6r n THR 71 Cb 0.73 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 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 -0.32 0.00 -0.11 1.09 -5.35 -1.20 -5.01 119.36 108.46 1r6r n ILE 72 Ca -0.12 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.13 1r6r n ILE 72 Cb 0.56 0.00 -0.12 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 0.64 0.00 6.28 3.00 -1.26 -4.95 118.16 121.87 1r6r n LYS 73 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 1r6r n LYS 73 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.47 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 -3.77 0.00 -0.37 1.64 4.01 -1.26 -4.28 118.16 114.12 1r6r n LYS 74 Ca -0.45 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.34 1r6r n LYS 74 Cb 0.93 0.00 0.13 0.00 -0.51 0.00 0.00 35.03 35.58 1r6r n LYS 74 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1r6r h SER 75 N 0.00 1.11 0.40 4.39 4.64 -1.99 0.62 113.55 122.72 1r6r h SER 75 Ca 0.00 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 1r6r h SER 75 Cb 0.00 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1r6r h SER 75 CO 0.00 0.77 -1.21 0.11 -0.87 0.00 0.00 176.83 175.63 1r6r h LYS 76 N 1.29 0.42 0.06 4.77 1.79 -1.99 -2.19 116.57 120.72 1r6r h LYS 76 Ca 0.39 -0.61 -0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1r6r h LYS 76 Cb -0.03 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1r6r h LYS 76 CO -0.12 1.26 -0.03 0.00 -1.08 0.00 0.00 179.45 179.49 1r6r h ALA 77 N 0.50 -0.08 -0.34 3.86 0.00 -1.65 0.44 119.26 121.99 1r6r h ALA 77 Ca -0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1r6r h ALA 77 Cb 1.90 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1r6r h ALA 77 CO 0.21 -0.48 0.18 0.82 0.00 0.00 0.00 179.25 179.98 1r6r h ILE 78 N -0.20 1.14 -0.96 0.00 2.04 0.12 -0.48 117.51 119.17 1r6r h ILE 78 Ca -0.01 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1r6r h ILE 78 Cb 0.17 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1r6r h ILE 78 CO 0.01 0.14 0.64 0.78 0.00 0.00 0.00 178.15 179.72 1r6r h ASN 79 N 0.42 1.09 -0.39 1.72 2.35 -1.20 -1.34 115.58 118.23 1r6r h ASN 79 Ca 0.12 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1r6r h ASN 79 Cb 0.06 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1r6r h ASN 79 CO -0.02 0.78 0.24 0.58 -1.65 0.00 0.00 177.43 177.36 1r6r h VAL 80 N 1.28 1.06 -0.72 2.81 2.07 0.61 -0.96 116.25 122.40 1r6r h VAL 80 Ca 0.36 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1r6r h VAL 80 Cb -0.11 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1r6r h VAL 80 CO -0.09 0.09 0.48 0.25 0.02 0.00 0.00 177.57 178.32 1r6r h LEU 81 N 0.49 0.51 -0.37 2.57 6.46 -0.02 0.32 115.31 125.27 1r6r h LEU 81 Ca 0.15 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1r6r h LEU 81 Cb -0.02 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1r6r h LEU 81 CO -0.06 0.30 0.12 -0.09 -0.62 0.00 0.00 178.44 178.09 1r6r h ARG 82 N 0.56 0.57 -0.15 1.25 9.65 -0.47 -1.73 114.38 124.05 1r6r h ARG 82 Ca 0.34 -0.12 -0.06 0.00 -1.10 0.00 0.00 59.98 59.04 1r6r h ARG 82 Cb 0.55 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1r6r h ARG 82 CO -0.12 0.57 -0.17 0.78 2.80 0.00 0.00 179.97 183.84 1r6r h GLY 83 N 0.45 0.27 0.84 2.80 0.00 -0.32 -2.17 103.07 104.94 1r6r h GLY 83 Ca 0.12 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1r6r h GLY 83 CO -0.01 0.17 0.42 0.74 0.00 0.00 0.00 176.54 177.86 1r6r h PHE 84 N 0.24 0.78 -0.18 5.60 -1.00 0.38 0.46 116.94 123.22 1r6r h PHE 84 Ca 0.04 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.74 1r6r h PHE 84 Cb 0.45 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1r6r h PHE 84 CO 0.01 0.43 -0.36 -0.09 -1.61 0.00 0.00 178.31 176.69 1r6r h ARG 85 N 0.81 0.39 -0.22 1.51 1.12 -0.83 -0.34 114.38 116.81 1r6r h ARG 85 Ca 0.28 -0.18 -0.19 0.00 -1.11 0.00 0.00 59.98 58.79 1r6r h ARG 85 Cb 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1r6r h ARG 85 CO -0.12 0.70 -0.61 0.87 -3.11 0.00 0.00 179.97 177.70 1r6r h LYS 86 N 0.33 0.74 -0.25 0.20 6.56 -0.63 -1.09 116.57 122.43 1r6r h LYS 86 Ca 0.04 -0.51 -0.17 0.00 -1.06 0.00 0.00 60.65 58.95 1r6r h LYS 86 Cb 0.79 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1r6r h LYS 86 CO 0.06 1.13 -0.50 0.93 -2.06 0.00 0.00 179.45 179.01 1r6r h GLU 87 N 0.55 0.77 -0.51 3.15 5.08 0.05 -2.24 114.58 121.44 1r6r h GLU 87 Ca -0.00 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.74 1r6r h GLU 87 Cb 1.21 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1r6r h GLU 87 CO 0.13 1.13 -0.13 0.97 -1.00 0.00 0.00 179.01 180.10 1r6r h ILE 88 N 0.52 1.27 -0.88 3.13 6.09 -1.07 -1.19 117.51 125.38 1r6r h ILE 88 Ca 0.01 -1.28 0.04 0.00 -1.37 0.00 0.00 64.86 62.26 1r6r h ILE 88 Cb 1.11 1.04 -0.06 0.00 0.47 0.00 0.00 36.82 39.38 1r6r h ILE 88 CO 0.11 0.45 0.56 1.23 -3.07 0.00 0.00 178.15 177.43 1r6r h GLY 89 N 0.85 1.30 1.86 8.18 0.00 -1.16 0.18 103.07 114.27 1r6r h GLY 89 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1r6r h GLY 89 CO 0.05 0.34 -0.20 3.21 0.00 0.00 0.00 176.54 179.94 1r6r h ARG 90 N 1.07 0.17 -0.86 4.80 3.08 -1.00 -2.03 114.38 119.61 1r6r h ARG 90 Ca 0.36 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.42 1r6r h ARG 90 Cb 0.06 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1r6r h ARG 90 CO -0.14 0.37 0.55 1.98 -1.07 0.00 0.00 179.97 181.66 1r6r h MET 91 N 0.16 0.99 -0.69 0.04 4.05 0.58 0.91 114.93 120.97 1r6r h MET 91 Ca 0.03 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.33 1r6r h MET 91 Cb 0.45 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.99 1r6r h MET 91 CO 0.03 0.66 0.19 -0.07 0.23 0.00 0.00 176.91 177.95 1r6r h LEU 92 N 1.02 1.03 -2.12 3.39 3.38 -0.90 0.15 115.31 121.26 1r6r h LEU 92 Ca 0.36 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1r6r h LEU 92 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1r6r h LEU 92 CO -0.15 0.98 0.31 -1.13 0.09 0.00 0.00 178.44 178.54 1r6r h ASN 93 N 1.03 0.00 0.20 -0.43 -0.73 -0.43 0.41 115.58 115.62 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 0.34 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.93 1r6r h ASN 93 CO -0.00 0.00 -1.77 0.40 -0.37 0.00 0.00 177.43 175.69 1r6r h ILE 94 N 0.00 0.92 -0.43 2.57 2.04 0.33 -3.29 117.51 119.65 1r6r h ILE 94 Ca 0.12 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1r6r h ILE 94 Cb 0.74 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1r6r h ILE 94 CO -0.00 0.86 0.00 0.00 0.00 0.00 0.00 178.15 179.01 1r6r n LEU 95 N -3.58 3.02 -0.00 1.44 -0.00 0.10 -3.89 117.00 114.09 1r6r n LEU 95 Ca -0.25 -1.52 0.04 0.00 -0.00 0.00 0.00 56.01 54.28 1r6r n LEU 95 Cb 1.07 -0.42 -0.06 0.00 -0.00 0.00 0.00 43.42 44.02 1r6r n LEU 95 CO 0.51 0.58 -0.55 0.59 -0.00 0.00 0.00 177.39 178.51 1r6r n ASN 96 N 0.70 3.15 -0.26 1.45 3.02 0.12 -4.49 115.26 118.96 1r6r n ASN 96 Ca 0.16 -0.04 0.12 0.00 -0.03 0.00 0.00 54.58 54.79 1r6r n ASN 96 Cb 0.55 1.32 0.58 0.00 -0.61 0.00 0.00 39.78 41.62 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 -1.72 1.35 0.25 3.52 0.63 -1.24 -3.86 116.66 115.58 1r6r n ARG 97 Ca -0.01 -0.51 0.17 0.00 -0.92 0.00 0.00 57.85 56.57 1r6r n ARG 97 Cb 0.19 -1.40 0.86 0.00 0.45 0.00 0.00 32.46 32.55 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 1.13 0.00 0.00 -0.14 0.11 -1.79 -3.45 114.38 110.24 1r6r h ARG 98 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r6r h ARG 98 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1r6r h ARG 98 CO 0.00 0.00 0.00 0.54 0.10 0.00 0.00 179.97 180.61 1r6r n ARG 99 N -2.72 0.00 0.00 0.08 5.12 -1.25 -5.21 116.66 112.67 1r6r n ARG 99 Ca -0.01 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.98 1r6r n ARG 99 Cb 0.11 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.47 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59