#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6g s ARG 17 N 0.00 2.52 0.00 1.64 3.00 -1.26 -5.08 118.95 119.77 3b6g s ARG 17 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 55.73 56.24 3b6g s ARG 17 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 34.95 32.97 3b6g s ARG 17 CO 0.00 -1.29 0.00 1.58 0.00 0.00 0.00 175.30 175.59 3b6g n HIS 18 N -3.18 0.00 -2.48 -0.53 -0.00 -1.26 -5.12 115.22 102.65 3b6g n HIS 18 Ca 0.07 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.24 3b6g n HIS 18 Cb 0.57 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.43 3b6g n HIS 18 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3b6g n ARG 19 N 0.00 -3.05 -3.36 1.57 1.74 -1.26 -5.07 116.66 107.23 3b6g n ARG 19 Ca 0.00 2.49 -0.19 0.00 -0.77 0.00 0.00 57.85 59.39 3b6g n ARG 19 Cb 0.00 -4.56 -0.00 0.00 -1.02 0.00 0.00 32.46 26.88 3b6g n ARG 19 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3b6g s LYS 20 N -1.22 3.01 0.33 5.56 2.20 -1.26 -5.06 119.74 123.29 3b6g s LYS 20 Ca -0.04 -1.10 -0.28 0.00 -0.36 0.00 0.00 55.97 54.18 3b6g s LYS 20 Cb 0.00 -2.78 -0.12 0.00 -1.51 0.00 0.00 37.83 33.42 3b6g s LYS 20 CO 0.65 -0.04 1.29 0.28 -0.36 0.00 0.00 175.35 177.17 3b6g n VAL 21 N -1.69 1.94 -3.95 4.02 0.31 -1.26 -4.97 118.33 112.74 3b6g n VAL 21 Ca 0.02 -0.49 -0.32 0.00 -0.01 0.00 0.00 64.34 63.55 3b6g n VAL 21 Cb 0.58 -1.54 -0.14 0.00 -0.91 0.00 0.00 33.84 31.83 3b6g n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3b6g s LEU 22 N -0.90 4.75 0.07 7.52 1.43 -1.26 -5.08 118.68 125.21 3b6g s LEU 22 Ca 0.56 -2.42 0.05 0.00 -1.03 0.00 0.00 54.13 51.29 3b6g s LEU 22 Cb -0.58 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 3b6g s LEU 22 CO 0.61 -0.36 -0.13 0.00 0.23 0.00 0.00 176.35 176.70 3b6g s ARG 23 N 0.54 0.78 -1.21 1.70 1.70 -1.26 -4.93 118.95 116.27 3b6g s ARG 23 Ca 0.13 -0.93 -0.24 0.00 -0.47 0.00 0.00 55.73 54.21 3b6g s ARG 23 Cb -0.21 -0.74 0.02 0.00 -0.57 0.00 0.00 34.95 33.44 3b6g s ARG 23 CO -0.05 0.16 0.69 -3.47 -1.08 0.00 0.00 175.30 171.55 3b6g n ASP 24 N 1.29 -4.21 -0.92 -2.89 2.03 -1.26 -4.89 116.55 105.70 3b6g n ASP 24 Ca -0.21 -1.15 0.12 0.00 0.52 0.00 0.00 54.79 54.07 3b6g n ASP 24 Cb 0.54 -2.58 0.13 0.00 -0.72 0.00 0.00 41.12 38.50 3b6g n ASP 24 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3b6g n ASN 25 N -2.49 2.88 0.16 1.67 3.02 -1.26 -3.92 115.26 115.32 3b6g n ASN 25 Ca -0.13 -1.96 0.12 0.00 -0.03 0.00 0.00 54.58 52.58 3b6g n ASN 25 Cb 0.59 -0.00 0.57 0.00 -0.61 0.00 0.00 39.78 40.33 3b6g n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3b6g h ILE 26 N 4.52 0.00 0.00 2.41 6.09 -1.95 0.04 117.51 128.62 3b6g h ILE 26 Ca 0.00 -0.11 -0.06 0.00 -1.37 0.00 0.00 64.86 63.32 3b6g h ILE 26 Cb 0.96 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 3b6g h ILE 26 CO 0.00 0.00 -0.30 1.56 -3.07 0.00 0.00 178.15 176.34 3b6g h GLN 27 N 0.00 0.00 0.00 2.19 1.08 -1.97 -2.65 115.11 113.76 3b6g h GLN 27 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3b6g h GLN 27 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3b6g h GLN 27 CO 0.00 0.30 0.02 0.41 -0.95 0.00 0.00 178.83 178.61 3b6g n GLY 28 N 0.84 -0.75 3.41 3.46 0.00 0.00 -3.71 105.19 108.44 3b6g n GLY 28 Ca 0.02 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3b6g n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b6g s ILE 29 N -3.39 4.64 0.04 -0.61 -1.09 -1.00 -5.06 121.20 114.73 3b6g s ILE 29 Ca -0.02 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3b6g s ILE 29 Cb 0.04 -4.58 -0.04 0.00 -1.58 0.00 0.00 42.46 36.31 3b6g s ILE 29 CO 0.14 -1.27 0.17 0.42 -1.23 0.00 0.00 174.94 173.17 3b6g s THR 30 N 3.18 5.22 0.26 2.92 -4.23 -1.24 -4.89 115.64 116.86 3b6g s THR 30 Ca 0.16 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.26 3b6g s THR 30 Cb -0.20 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.44 3b6g s THR 30 CO 0.07 0.21 1.63 0.50 -0.54 0.00 0.00 174.62 176.49 3b6g h LYS 31 N 3.42 0.13 -0.24 3.99 3.64 -1.95 0.15 116.57 125.70 3b6g h LYS 31 Ca -0.47 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 3b6g h LYS 31 Cb 1.17 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 3b6g h LYS 31 CO 0.71 0.08 -0.17 -1.35 -2.27 0.00 0.00 179.45 176.45 3b6g h PRO 32 N 0.13 -0.16 -0.24 1.90 0.11 -1.98 0.48 132.00 132.23 3b6g h PRO 32 Ca 0.46 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 3b6g h PRO 32 Cb 0.85 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3b6g h PRO 32 CO -0.68 -0.11 0.10 0.00 -0.21 0.00 0.00 178.00 177.11 3b6g h ALA 33 N 0.97 0.32 0.00 -0.75 0.00 -1.36 0.40 119.26 118.84 3b6g h ALA 33 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3b6g h ALA 33 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3b6g h ALA 33 CO -0.34 -0.09 0.10 0.82 0.00 0.00 0.00 179.25 179.74 3b6g h ILE 34 N 0.24 0.00 0.33 0.00 2.04 -0.72 -0.38 117.51 119.03 3b6g h ILE 34 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3b6g h ILE 34 Cb 0.17 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3b6g h ILE 34 CO -0.01 0.00 -0.16 0.03 0.00 0.00 0.00 178.15 178.02 3b6g h ARG 35 N 0.00 -0.42 -0.40 2.37 3.08 0.41 -3.29 114.38 116.12 3b6g h ARG 35 Ca 0.00 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.15 3b6g h ARG 35 Cb 0.19 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 3b6g h ARG 35 CO 0.00 -0.21 0.05 0.00 -1.07 0.00 0.00 179.97 178.74 3b6g h ARG 36 N -1.08 0.17 -0.73 0.04 3.08 0.67 1.39 114.38 117.92 3b6g h ARG 36 Ca -0.05 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.14 3b6g h ARG 36 Cb 0.41 -0.04 -0.14 0.00 0.08 0.00 0.00 29.97 30.29 3b6g h ARG 36 CO 0.07 0.11 -0.24 -0.07 -1.07 0.00 0.00 179.97 178.77 3b6g h LEU 37 N 0.17 -0.87 -1.06 3.04 3.38 -1.43 0.15 115.31 118.69 3b6g h LEU 37 Ca 0.20 0.23 -0.08 0.00 0.09 0.00 0.00 57.88 58.32 3b6g h LEU 37 Cb 0.26 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3b6g h LEU 37 CO -0.29 -0.27 -0.38 0.00 0.09 0.00 0.00 178.44 177.60 3b6g h ALA 38 N 1.55 1.08 -1.20 1.53 0.00 -0.25 0.14 119.26 122.11 3b6g h ALA 38 Ca 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3b6g h ALA 38 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3b6g h ALA 38 CO -0.77 0.47 0.00 0.54 0.00 0.00 0.00 179.25 179.49 3b6g n ARG 39 N -3.65 0.00 -0.25 0.00 5.12 0.43 -1.37 116.66 116.94 3b6g n ARG 39 Ca -0.01 0.30 0.16 0.00 -1.93 0.00 0.00 57.85 56.37 3b6g n ARG 39 Cb 0.48 -1.29 0.30 0.00 -1.16 0.00 0.00 32.46 30.79 3b6g n ARG 39 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3b6g n ARG 40 N -1.40 -0.05 -0.57 5.56 0.63 -0.11 0.19 116.66 120.90 3b6g n ARG 40 Ca 0.00 1.09 0.46 0.00 -0.92 0.00 0.00 57.85 58.48 3b6g n ARG 40 Cb 0.00 -1.80 0.72 0.00 0.45 0.00 0.00 32.46 31.82 3b6g n ARG 40 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3b6g h GLY 41 N 0.00 0.00 -0.36 5.14 0.00 -0.64 -3.43 103.07 103.79 3b6g h GLY 41 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3b6g h GLY 41 CO -0.66 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.49 3b6g n GLY 42 N -1.87 0.97 3.39 4.60 0.00 0.50 -5.07 105.19 107.72 3b6g n GLY 42 Ca 0.38 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3b6g n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b6g s VAL 43 N -2.32 2.46 -0.09 1.61 1.01 -0.47 -5.04 120.40 117.56 3b6g s VAL 43 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 3b6g s VAL 43 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3b6g s VAL 43 CO 0.00 0.49 -0.22 1.17 0.00 0.00 0.00 175.10 176.54 3b6g n LYS 44 N 2.10 0.33 -3.94 2.72 4.81 -1.26 -4.41 118.16 118.49 3b6g n LYS 44 Ca -0.16 0.13 -0.34 0.00 -0.87 0.00 0.00 58.31 57.06 3b6g n LYS 44 Cb 0.52 -1.06 -0.14 0.00 0.02 0.00 0.00 35.03 34.37 3b6g n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3b6g s ARG 45 N -2.42 2.31 -0.59 1.64 3.52 -1.26 -5.07 118.95 117.09 3b6g s ARG 45 Ca -0.18 -1.35 -0.19 0.00 -0.13 0.00 0.00 55.73 53.88 3b6g s ARG 45 Cb 0.02 -3.14 0.09 0.00 -1.56 0.00 0.00 34.95 30.37 3b6g s ARG 45 CO 0.27 -0.65 0.74 0.42 -0.81 0.00 0.00 175.30 175.26 3b6g s ILE 46 N 1.19 4.75 0.70 4.11 1.01 -1.26 -5.05 121.20 126.66 3b6g s ILE 46 Ca -0.04 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 3b6g s ILE 46 Cb -0.20 -4.50 -0.14 0.00 0.01 0.00 0.00 42.46 37.63 3b6g s ILE 46 CO -0.03 -1.14 -0.28 -0.24 0.00 0.00 0.00 174.94 173.25 3b6g n SER 47 N 6.52 -4.17 0.25 3.58 2.88 -1.26 -4.89 113.62 116.53 3b6g n SER 47 Ca -0.08 0.48 0.09 0.00 -1.33 0.00 0.00 58.87 58.03 3b6g n SER 47 Cb 0.43 -0.87 0.64 0.00 -0.75 0.00 0.00 64.21 63.67 3b6g n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3b6g h GLY 48 N -0.40 0.00 0.12 0.46 0.00 -2.05 -3.31 103.07 97.89 3b6g h GLY 48 Ca -0.43 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3b6g h GLY 48 CO 0.35 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 177.88 3b6g h LEU 49 N 0.00 0.08 -0.32 3.11 3.38 -2.02 -3.37 115.31 116.17 3b6g h LEU 49 Ca -0.00 -0.89 0.10 0.00 0.09 0.00 0.00 57.88 57.17 3b6g h LEU 49 Cb 0.20 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3b6g h LEU 49 CO 0.01 1.18 0.03 -0.38 0.09 0.00 0.00 178.44 179.38 3b6g n ILE 50 N -4.47 -0.14 -0.23 1.22 2.08 -1.25 0.24 119.36 116.81 3b6g n ILE 50 Ca -0.15 0.70 0.03 0.00 0.56 0.00 0.00 62.75 63.89 3b6g n ILE 50 Cb 0.59 -1.04 0.15 0.00 -0.75 0.00 0.00 39.64 38.59 3b6g n ILE 50 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 3b6g h TYR 51 N 0.00 0.37 0.03 1.39 -1.99 -1.79 0.29 116.97 115.27 3b6g h TYR 51 Ca 0.21 0.04 -0.18 0.00 2.00 0.00 0.00 58.73 60.80 3b6g h TYR 51 Cb 0.45 -0.06 0.02 0.00 2.00 0.00 0.00 36.73 39.14 3b6g h TYR 51 CO -0.14 0.02 -0.71 1.49 -0.00 0.00 0.00 178.16 178.82 3b6g h GLU 52 N 0.36 0.43 -0.89 4.88 4.57 0.27 -3.10 114.58 121.10 3b6g h GLU 52 Ca 0.37 -0.50 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3b6g h GLU 52 Cb 0.56 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.26 3b6g h GLU 52 CO -0.41 1.16 0.58 1.49 -1.18 0.00 0.00 179.01 180.66 3b6g h GLU 53 N -0.09 1.13 0.12 1.92 4.57 -0.90 -2.95 114.58 118.38 3b6g h GLU 53 Ca -0.10 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3b6g h GLU 53 Cb 1.44 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3b6g h GLU 53 CO 0.14 0.75 -0.06 1.15 -1.18 0.00 0.00 179.01 179.81 3b6g h THR 54 N 1.16 1.02 -0.70 0.32 2.02 -0.56 -1.26 112.91 114.91 3b6g h THR 54 Ca 0.34 -0.54 0.15 0.00 0.77 0.00 0.00 66.41 67.13 3b6g h THR 54 Cb -0.07 1.36 -0.13 0.00 -1.74 0.00 0.00 68.15 67.57 3b6g h THR 54 CO -0.09 0.13 -0.13 0.03 0.37 0.00 0.00 175.52 175.83 3b6g h ARG 55 N -0.41 0.02 -0.11 6.66 3.08 -1.44 0.82 114.38 123.01 3b6g h ARG 55 Ca -0.02 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3b6g h ARG 55 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3b6g h ARG 55 CO 0.03 0.02 -0.00 0.78 -1.07 0.00 0.00 179.97 179.72 3b6g h GLY 56 N 0.03 0.10 0.14 0.04 0.00 -1.51 -1.51 103.07 100.36 3b6g h GLY 56 Ca 0.35 0.01 0.25 0.00 0.00 0.00 0.00 47.33 47.95 3b6g h GLY 56 CO -0.70 -0.02 0.65 -2.08 0.00 0.00 0.00 176.54 174.39 3b6g h VAL 57 N 0.03 0.57 0.07 4.60 2.07 0.17 -0.89 116.25 122.88 3b6g h VAL 57 Ca 0.05 -0.06 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 3b6g h VAL 57 Cb 0.06 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3b6g h VAL 57 CO -0.09 0.03 -0.61 0.25 0.02 0.00 0.00 177.57 177.18 3b6g h LEU 58 N 0.17 0.41 -0.10 2.57 5.85 0.28 -3.24 115.31 121.26 3b6g h LEU 58 Ca 0.47 -0.88 0.01 0.00 0.84 0.00 0.00 57.88 58.32 3b6g h LEU 58 Cb 1.56 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 3b6g h LEU 58 CO -0.10 1.26 -0.09 0.50 -0.34 0.00 0.00 178.44 179.66 3b6g h LYS 59 N -0.38 -0.04 -0.93 1.25 3.64 -0.16 0.40 116.57 120.36 3b6g h LYS 59 Ca -0.10 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.44 3b6g h LYS 59 Cb 1.41 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 33.09 3b6g h LYS 59 CO 0.12 -0.03 -0.34 0.28 -2.27 0.00 0.00 179.45 177.20 3b6g n VAL 60 N -3.22 -0.47 0.31 2.00 0.31 -1.04 0.12 118.33 116.34 3b6g n VAL 60 Ca -0.00 2.17 -0.17 0.00 -0.01 0.00 0.00 64.34 66.33 3b6g n VAL 60 Cb 0.05 -2.88 -0.09 0.00 -0.91 0.00 0.00 33.84 30.01 3b6g n VAL 60 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3b6g h PHE 61 N 0.00 -1.22 0.00 3.52 3.57 -1.31 1.62 116.94 123.12 3b6g h PHE 61 Ca 0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 3b6g h PHE 61 Cb 0.57 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3b6g h PHE 61 CO -0.80 -0.62 0.00 1.28 -2.23 0.00 0.00 178.31 175.94 3b6g n LEU 62 N -5.18 0.00 -0.03 0.59 4.77 0.03 0.03 117.00 117.21 3b6g n LEU 62 Ca -0.12 0.82 0.01 0.00 -0.03 0.00 0.00 56.01 56.69 3b6g n LEU 62 Cb 0.43 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3b6g n LEU 62 CO 0.26 -0.32 0.06 -0.62 -1.33 0.00 0.00 177.39 175.44 3b6g n GLU 63 N -1.86 -0.01 0.17 3.23 1.02 0.33 -1.31 120.64 122.21 3b6g n GLU 63 Ca 0.00 0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 3b6g n GLU 63 Cb 0.00 -0.19 -0.05 0.00 -0.02 0.00 0.00 31.44 31.19 3b6g n GLU 63 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3b6g h ASN 64 N 0.00 -0.42 -0.07 1.62 4.21 0.63 -2.86 115.58 118.69 3b6g h ASN 64 Ca 0.05 -0.04 0.02 0.00 1.21 0.00 0.00 56.30 57.54 3b6g h ASN 64 Cb 0.09 0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 3b6g h ASN 64 CO -0.08 0.03 0.17 0.58 -1.29 0.00 0.00 177.43 176.84 3b6g h VAL 65 N -1.10 0.20 0.13 2.81 2.07 0.28 -3.15 116.25 117.49 3b6g h VAL 65 Ca -0.05 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 3b6g h VAL 65 Cb 0.43 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3b6g h VAL 65 CO 0.08 0.00 -1.54 0.40 0.02 0.00 0.00 177.57 176.54 3b6g h ILE 66 N 0.00 0.97 0.00 4.57 2.04 -1.19 -1.40 117.51 122.50 3b6g h ILE 66 Ca 0.04 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.48 3b6g h ILE 66 Cb 0.38 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3b6g h ILE 66 CO -0.00 0.75 0.00 -1.14 0.00 0.00 0.00 178.15 177.76 3b6g n ARG 67 N -3.82 0.68 -0.00 2.37 0.63 -1.08 -0.77 116.66 114.66 3b6g n ARG 67 Ca -0.26 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.66 3b6g n ARG 67 Cb 0.95 -1.24 -0.00 0.00 0.45 0.00 0.00 32.46 32.62 3b6g n ARG 67 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3b6g n ASP 68 N -0.04 1.28 -0.32 6.15 9.92 -1.22 -4.28 116.55 128.04 3b6g n ASP 68 Ca 0.00 0.01 0.18 0.00 -0.53 0.00 0.00 54.79 54.45 3b6g n ASP 68 Cb 0.12 -0.02 0.38 0.00 -0.64 0.00 0.00 41.12 40.95 3b6g n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3b6g h ALA 69 N -0.02 1.56 0.04 2.24 0.00 -0.78 -2.00 119.26 120.29 3b6g h ALA 69 Ca -0.02 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3b6g h ALA 69 Cb 1.02 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3b6g h ALA 69 CO -0.01 -0.57 -0.02 0.28 0.00 0.00 0.00 179.25 178.93 3b6g h VAL 70 N 0.19 0.99 -1.58 0.00 2.07 -1.23 -2.96 116.25 113.74 3b6g h VAL 70 Ca 0.65 -1.62 0.48 0.00 0.82 0.00 0.00 66.70 67.03 3b6g h VAL 70 Cb 1.42 1.82 -0.10 0.00 -1.52 0.00 0.00 31.29 32.91 3b6g h VAL 70 CO -0.69 0.32 1.09 0.74 0.02 0.00 0.00 177.57 179.04 3b6g h THR 71 N -0.96 0.10 0.35 2.57 2.02 -1.57 1.25 112.91 116.66 3b6g h THR 71 Ca -0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3b6g h THR 71 Cb 0.56 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3b6g h THR 71 CO 0.01 0.01 -0.17 1.88 0.37 0.00 0.00 175.52 177.62 3b6g h TYR 72 N 0.04 -0.43 -0.32 3.16 -1.99 -1.44 -3.32 116.97 112.66 3b6g h TYR 72 Ca 0.85 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.64 3b6g h TYR 72 Cb 3.04 0.14 -0.08 0.00 2.00 0.00 0.00 36.73 41.83 3b6g h TYR 72 CO -0.00 -0.27 -0.32 1.15 -0.00 0.00 0.00 178.16 178.72 3b6g h THR 73 N -0.58 0.25 0.00 -2.88 2.02 0.15 0.11 112.91 111.98 3b6g h THR 73 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3b6g h THR 73 Cb 0.36 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3b6g h THR 73 CO 0.08 0.00 0.55 -0.62 0.37 0.00 0.00 175.52 175.90 3b6g n GLU 74 N -5.41 0.01 0.00 6.66 1.02 0.11 -2.93 120.64 120.10 3b6g n GLU 74 Ca -0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3b6g n GLU 74 Cb 0.33 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 3b6g n GLU 74 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3b6g n HIS 75 N -1.26 0.00 -0.04 -0.32 -0.00 0.39 -4.32 115.22 109.66 3b6g n HIS 75 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3b6g n HIS 75 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 3b6g n HIS 75 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3b6g n ALA 76 N -2.14 1.99 -3.69 1.57 0.00 -1.24 -4.72 120.51 112.28 3b6g n ALA 76 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3b6g n ALA 76 Cb 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 19.45 17.87 3b6g n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b6g n LYS 77 N 1.67 -1.13 -4.55 0.00 5.02 -1.25 -5.03 118.16 112.89 3b6g n LYS 77 Ca 0.00 0.58 -0.26 0.00 -2.02 0.00 0.00 58.31 56.61 3b6g n LYS 77 Cb 0.11 -3.68 -0.11 0.00 -0.02 0.00 0.00 35.03 31.34 3b6g n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3b6g s ARG 78 N -5.65 1.82 -0.14 1.97 0.52 -1.15 -5.06 118.95 111.27 3b6g s ARG 78 Ca 0.33 -1.95 0.16 0.00 -0.52 0.00 0.00 55.73 53.75 3b6g s ARG 78 Cb -0.13 -1.68 0.31 0.00 0.52 0.00 0.00 34.95 33.96 3b6g s ARG 78 CO 0.87 0.12 1.16 1.63 0.02 0.00 0.00 175.30 179.10 3b6g n LYS 79 N -0.80 1.24 -3.80 3.54 5.02 -1.26 -4.51 118.16 117.59 3b6g n LYS 79 Ca -0.05 -2.64 -0.13 0.00 -2.02 0.00 0.00 58.31 53.47 3b6g n LYS 79 Cb 0.64 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 3b6g n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3b6g s THR 80 N -2.70 -0.02 -0.20 -0.18 2.01 -1.26 -5.14 115.64 108.16 3b6g s THR 80 Ca 0.31 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 62.20 3b6g s THR 80 Cb 0.29 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.54 3b6g s THR 80 CO -0.00 0.03 0.48 -0.69 -0.69 0.00 0.00 174.62 173.74 3b6g s VAL 81 N 0.48 5.14 0.38 3.82 1.01 -1.26 -4.86 120.40 125.10 3b6g s VAL 81 Ca -0.03 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.90 3b6g s VAL 81 Cb -0.05 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3b6g s VAL 81 CO -0.02 0.21 0.46 0.42 0.00 0.00 0.00 175.10 176.17 3b6g s THR 82 N 1.47 3.42 0.06 3.92 -4.23 -1.26 -4.97 115.64 114.05 3b6g s THR 82 Ca 0.23 -1.11 -0.14 0.00 -1.18 0.00 0.00 61.69 59.48 3b6g s THR 82 Cb -0.15 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 3b6g s THR 82 CO 0.09 -0.08 1.24 0.00 -0.54 0.00 0.00 174.62 175.33 3b6g h ALA 83 N 0.88 -0.43 -0.86 3.99 0.00 -1.98 -1.77 119.26 119.09 3b6g h ALA 83 Ca -0.43 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.62 3b6g h ALA 83 Cb 1.27 0.98 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 3b6g h ALA 83 CO 0.52 -0.57 0.56 0.52 0.00 0.00 0.00 179.25 180.27 3b6g h MET 84 N -0.13 0.71 -0.68 0.00 2.86 -1.94 -0.28 114.93 115.48 3b6g h MET 84 Ca 0.04 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.79 3b6g h MET 84 Cb 0.24 -0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.63 3b6g h MET 84 CO -0.31 0.47 0.11 -0.44 1.06 0.00 0.00 176.91 177.80 3b6g h ASP 85 N 0.74 -0.09 0.68 1.22 3.32 -1.69 -2.54 116.42 118.05 3b6g h ASP 85 Ca 0.42 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.58 3b6g h ASP 85 Cb 0.58 0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.36 3b6g h ASP 85 CO -0.18 -0.06 -0.33 0.58 -1.72 0.00 0.00 179.24 177.53 3b6g h VAL 86 N 0.21 0.08 -0.69 -1.35 2.07 -0.60 -3.23 116.25 112.74 3b6g h VAL 86 Ca 0.37 -0.31 0.26 0.00 0.82 0.00 0.00 66.70 67.84 3b6g h VAL 86 Cb 0.62 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 30.37 3b6g h VAL 86 CO -0.51 0.01 0.26 0.52 0.02 0.00 0.00 177.57 177.88 3b6g n VAL 87 N -5.39 -0.29 0.01 2.57 0.31 -0.98 0.37 118.33 114.92 3b6g n VAL 87 Ca -0.12 1.45 -0.08 0.00 -0.01 0.00 0.00 64.34 65.58 3b6g n VAL 87 Cb 0.37 -2.27 0.09 0.00 -0.91 0.00 0.00 33.84 31.12 3b6g n VAL 87 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3b6g h TYR 88 N 0.00 0.64 0.00 3.52 -1.99 -1.53 -1.94 116.97 115.66 3b6g h TYR 88 Ca 0.54 -0.20 -0.05 0.00 2.00 0.00 0.00 58.73 61.02 3b6g h TYR 88 Cb 1.34 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.94 3b6g h TYR 88 CO -0.12 0.90 -0.22 0.00 -0.00 0.00 0.00 178.16 178.73 3b6g h ALA 89 N 1.07 0.97 -3.00 3.88 0.00 0.66 -1.41 119.26 121.43 3b6g h ALA 89 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3b6g h ALA 89 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3b6g h ALA 89 CO 0.09 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.89 3b6g n LEU 90 N -3.31 0.75 0.00 0.00 4.77 0.27 -4.13 117.00 115.35 3b6g n LEU 90 Ca 0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3b6g n LEU 90 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3b6g n LEU 90 CO 0.34 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.57 3b6g n LYS 91 N -0.14 0.00 0.00 3.23 4.81 -0.75 0.10 118.16 125.41 3b6g n LYS 91 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3b6g n LYS 91 Cb 0.00 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.29 3b6g n LYS 91 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3b6g n ARG 92 N -2.71 0.17 0.00 1.64 1.85 -0.53 0.18 116.66 117.26 3b6g n ARG 92 Ca 0.00 0.15 0.02 0.00 -1.00 0.00 0.00 57.85 57.02 3b6g n ARG 92 Cb 0.00 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 29.91 3b6g n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3b6g n GLN 93 N -1.21 3.31 -0.69 2.89 6.02 0.28 -5.00 117.38 122.97 3b6g n GLN 93 Ca 0.05 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 3b6g n GLN 93 Cb 0.06 -0.82 0.00 0.00 1.02 0.00 0.00 30.24 30.50 3b6g n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3b6g n GLY 94 N 0.71 1.29 1.47 1.08 0.00 0.13 -4.99 105.19 104.87 3b6g n GLY 94 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 3b6g n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b6g n ARG 95 N -0.67 1.47 -1.69 1.61 5.12 -1.21 -4.97 116.66 116.33 3b6g n ARG 95 Ca 0.00 -3.08 -0.44 0.00 -1.93 0.00 0.00 57.85 52.39 3b6g n ARG 95 Cb 0.16 -1.23 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 3b6g n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3b6g n THR 96 N -0.47 0.05 -4.27 0.55 -1.04 -1.26 -4.38 114.28 103.46 3b6g n THR 96 Ca 0.18 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.83 3b6g n THR 96 Cb 0.90 -1.77 -0.10 0.00 -1.82 0.00 0.00 70.33 67.54 3b6g n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3b6g s LEU 97 N 1.25 3.59 0.17 -4.42 2.96 -1.26 -4.89 118.68 116.08 3b6g s LEU 97 Ca 0.78 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.73 3b6g s LEU 97 Cb -0.60 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 3b6g s LEU 97 CO 0.36 0.28 0.38 -0.31 -1.32 0.00 0.00 176.35 175.74 3b6g s TYR 98 N -0.26 3.48 0.00 5.38 2.02 -1.26 -4.80 117.35 121.92 3b6g s TYR 98 Ca 0.06 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 3b6g s TYR 98 Cb -0.12 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 3b6g s TYR 98 CO 0.02 0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 3b6g n GLY 99 N -0.27 3.29 0.00 0.71 0.00 -1.26 -4.94 105.19 102.72 3b6g n GLY 99 Ca -0.03 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.58 3b6g n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3b6g n PHE 100 N 0.00 0.00 0.00 1.61 3.01 -1.26 -5.00 117.46 115.82 3b6g n PHE 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3b6g n PHE 100 Cb 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 3b6g n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b6g n GLY 101 N 0.84 0.61 3.46 1.37 0.00 -1.26 -4.53 105.19 105.69 3b6g n GLY 101 Ca 0.14 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3b6g n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93