#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksd n MET 16 N 0.00 -1.27 -2.77 2.12 0.00 -1.26 -4.95 117.12 108.99 2ksd n MET 16 Ca 0.00 0.99 -0.14 0.00 -0.00 0.00 0.00 57.70 58.54 2ksd n MET 16 Cb 0.00 -1.51 0.02 0.00 0.00 0.00 0.00 33.22 31.74 2ksd n MET 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2ksd n LYS 17 N -3.12 -3.23 -3.47 2.12 4.81 0.34 -4.90 118.16 110.70 2ksd n LYS 17 Ca -0.02 0.57 -0.43 0.00 -0.87 0.00 0.00 58.31 57.56 2ksd n LYS 17 Cb 0.27 -4.73 -0.09 0.00 0.02 0.00 0.00 35.03 30.50 2ksd n LYS 17 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2ksd s LEU 18 N -4.42 5.36 0.00 3.14 1.02 -1.21 -4.86 118.68 117.71 2ksd s LEU 18 Ca 0.20 -1.30 0.00 0.00 0.02 0.00 0.00 54.13 53.05 2ksd s LEU 18 Cb -0.09 -2.11 0.00 0.00 0.02 0.00 0.00 46.19 44.01 2ksd s LEU 18 CO 0.25 -0.57 0.00 0.61 0.02 0.00 0.00 176.35 176.66 2ksd n GLY 19 N 5.10 1.18 0.00 -3.19 0.00 -1.26 -3.71 105.19 103.31 2ksd n GLY 19 Ca -0.12 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2ksd n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksd n LEU 20 N 0.00 0.33 0.03 0.99 4.32 -1.26 -5.02 117.00 116.39 2ksd n LEU 20 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 2ksd n LEU 20 Cb 0.00 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 2ksd n LEU 20 CO 0.00 -0.20 -0.25 0.52 -1.22 0.00 0.00 177.39 176.23 2ksd n VAL 21 N -1.76 0.39 0.20 4.08 0.31 -1.24 -4.87 118.33 115.43 2ksd n VAL 21 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 2ksd n VAL 21 Cb 0.00 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 2ksd n VAL 21 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2ksd n ARG 22 N -3.14 0.00 -3.84 5.55 1.85 -1.26 0.12 116.66 115.95 2ksd n ARG 22 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 2ksd n ARG 22 Cb 0.25 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.54 2ksd n ARG 22 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2ksd s PHE 23 N -2.00 3.29 0.25 2.89 0.08 -1.26 -4.30 117.98 116.92 2ksd s PHE 23 Ca 0.00 -2.97 -0.15 0.00 0.12 0.00 0.00 56.93 53.93 2ksd s PHE 23 Cb 0.00 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2ksd s PHE 23 CO 0.00 -0.79 0.54 -1.12 -0.10 0.00 0.00 175.22 173.75 2ksd s SER 24 N 0.15 -0.15 -1.31 1.36 0.01 -1.26 -4.96 113.70 107.54 2ksd s SER 24 Ca 0.17 -0.80 -0.05 0.00 1.31 0.00 0.00 55.95 56.58 2ksd s SER 24 Cb -0.23 0.62 0.01 0.00 0.21 0.00 0.00 66.02 66.63 2ksd s SER 24 CO -0.02 -1.17 1.03 0.80 0.41 0.00 0.00 173.24 174.29 2ksd n MET 25 N -0.39 -6.83 -0.35 12.44 1.56 -1.26 -4.86 117.12 117.43 2ksd n MET 25 Ca -0.03 0.79 0.29 0.00 -0.27 0.00 0.00 57.70 58.48 2ksd n MET 25 Cb 0.61 -5.75 0.55 0.00 2.15 0.00 0.00 33.22 30.78 2ksd n MET 25 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 2ksd h LEU 26 N -2.22 0.39 -1.09 -0.89 5.85 -1.99 0.25 115.31 115.61 2ksd h LEU 26 Ca -0.58 0.20 0.34 0.00 0.84 0.00 0.00 57.88 58.67 2ksd h LEU 26 Cb 1.36 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 42.41 2ksd h LEU 26 CO 0.55 -0.23 0.62 -0.07 -0.34 0.00 0.00 178.44 178.96 2ksd h LEU 27 N 0.17 0.46 -0.69 2.25 4.07 -1.93 0.19 115.31 119.83 2ksd h LEU 27 Ca 0.79 0.18 0.15 0.00 0.08 0.00 0.00 57.88 59.08 2ksd h LEU 27 Cb 2.05 0.14 -0.12 0.00 1.08 0.00 0.00 40.66 43.81 2ksd h LEU 27 CO -0.61 -0.15 -0.04 0.00 -1.08 0.00 0.00 178.44 176.57 2ksd h ALA 28 N 1.81 0.65 -1.00 1.53 0.00 -0.85 0.43 119.26 121.83 2ksd h ALA 28 Ca 0.75 0.23 0.19 0.00 0.00 0.00 0.00 54.91 56.07 2ksd h ALA 28 Cb 1.83 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 19.93 2ksd h ALA 28 CO -0.57 -0.41 0.61 1.25 0.00 0.00 0.00 179.25 180.13 2ksd h LEU 29 N 0.08 0.79 -1.04 0.00 5.85 -0.80 0.35 115.31 120.54 2ksd h LEU 29 Ca 0.36 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 2ksd h LEU 29 Cb 0.60 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2ksd h LEU 29 CO -0.63 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 177.76 2ksd h ALA 30 N 1.64 1.21 -0.04 1.25 0.00 -0.22 0.25 119.26 123.35 2ksd h ALA 30 Ca 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2ksd h ALA 30 Cb 0.89 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2ksd h ALA 30 CO -0.37 0.52 -0.00 -0.07 0.00 0.00 0.00 179.25 179.32 2ksd h LEU 31 N 0.64 0.08 -0.03 0.00 4.07 0.35 0.32 115.31 120.75 2ksd h LEU 31 Ca 0.13 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2ksd h LEU 31 Cb 0.40 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 2ksd h LEU 31 CO 0.02 0.39 0.00 0.58 -1.08 0.00 0.00 178.44 178.35 2ksd h VAL 32 N -0.23 0.99 -0.09 1.22 2.07 -0.86 0.26 116.25 119.60 2ksd h VAL 32 Ca 0.01 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2ksd h VAL 32 Cb 0.36 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2ksd h VAL 32 CO 0.00 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.10 2ksd h VAL 33 N 0.02 0.78 -0.47 2.57 2.07 -0.46 0.25 116.25 120.99 2ksd h VAL 33 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 2ksd h VAL 33 Cb 0.01 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2ksd h VAL 33 CO -0.02 0.00 0.17 0.25 0.02 0.00 0.00 177.57 177.99 2ksd h LEU 34 N -0.09 0.17 -0.35 2.57 5.85 -0.09 0.24 115.31 123.61 2ksd h LEU 34 Ca 0.06 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2ksd h LEU 34 Cb 0.18 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2ksd h LEU 34 CO -0.14 0.13 0.08 0.00 -0.34 0.00 0.00 178.44 178.17 2ksd h ALA 35 N 1.31 0.38 -0.31 1.25 0.00 0.20 0.30 119.26 122.40 2ksd h ALA 35 Ca 0.22 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2ksd h ALA 35 Cb 0.23 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2ksd h ALA 35 CO -0.23 -0.32 0.06 0.82 0.00 0.00 0.00 179.25 179.58 2ksd h ILE 36 N 0.21 0.85 -0.39 0.00 2.04 0.59 0.19 117.51 121.01 2ksd h ILE 36 Ca 0.16 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2ksd h ILE 36 Cb 0.17 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2ksd h ILE 36 CO -0.20 0.03 0.13 0.58 0.00 0.00 0.00 178.15 178.69 2ksd h VAL 37 N 0.17 0.89 -0.00 1.67 2.07 0.26 0.30 116.25 121.59 2ksd h VAL 37 Ca 0.14 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2ksd h VAL 37 Cb 0.15 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2ksd h VAL 37 CO -0.19 0.05 -0.13 0.58 0.02 0.00 0.00 177.57 177.91 2ksd h VAL 38 N 0.29 0.68 -0.17 2.57 2.07 0.37 0.26 116.25 122.32 2ksd h VAL 38 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 2ksd h VAL 38 Cb 0.16 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2ksd h VAL 38 CO -0.18 0.00 -0.05 -0.61 0.02 0.00 0.00 177.57 176.75 2ksd h GLN 39 N -0.22 -0.01 -0.26 1.57 -0.00 -0.17 0.16 115.11 116.19 2ksd h GLN 39 Ca 0.05 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.76 2ksd h GLN 39 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.69 2ksd h GLN 39 CO -0.13 -0.00 -0.16 0.52 0.00 0.00 0.00 178.83 179.06 2ksd h MET 40 N -0.01 -0.13 -0.62 1.69 2.86 -0.00 0.31 114.93 119.03 2ksd h MET 40 Ca 0.08 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2ksd h MET 40 Cb 0.13 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 2ksd h MET 40 CO -0.18 -0.09 0.30 0.00 1.06 0.00 0.00 176.91 178.00 2ksd h ALA 41 N 1.03 0.81 -0.41 6.32 0.00 0.05 -0.30 119.26 126.77 2ksd h ALA 41 Ca 0.14 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2ksd h ALA 41 Cb 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2ksd h ALA 41 CO -0.35 -0.07 0.10 0.28 0.00 0.00 0.00 179.25 179.21 2ksd h VAL 42 N 0.54 0.81 -0.75 0.00 2.07 0.72 0.21 116.25 119.85 2ksd h VAL 42 Ca 0.29 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 2ksd h VAL 42 Cb 0.26 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2ksd h VAL 42 CO -0.23 0.04 0.33 0.71 0.02 0.00 0.00 177.57 178.45 2ksd h THR 43 N 0.24 1.24 -0.05 2.57 1.35 -0.12 0.49 112.91 118.62 2ksd h THR 43 Ca 0.20 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 2ksd h THR 43 Cb 0.23 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 2ksd h THR 43 CO -0.25 0.30 -0.01 -0.03 -0.25 0.00 0.00 175.52 175.29 2ksd h MET 44 N 1.07 0.10 -0.12 4.72 4.05 -0.06 -3.29 114.93 121.39 2ksd h MET 44 Ca 0.26 -0.04 -0.19 0.00 -0.28 0.00 0.00 59.70 59.45 2ksd h MET 44 Cb 0.15 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2ksd h MET 44 CO -0.03 0.42 -0.65 -0.39 0.23 0.00 0.00 176.91 176.49 2ksd h VAL 45 N -0.22 1.32 -1.35 -5.77 -1.51 -0.53 -2.77 116.25 105.42 2ksd h VAL 45 Ca 0.01 -1.91 -0.71 0.00 -1.23 0.00 0.00 66.70 62.86 2ksd h VAL 45 Cb 0.38 2.11 -0.12 0.00 -2.13 0.00 0.00 31.29 31.52 2ksd h VAL 45 CO 0.00 0.59 1.93 -0.11 -1.23 0.00 0.00 177.57 178.76 2ksd n LEU 46 N -4.08 5.37 -1.89 4.19 0.00 0.17 -4.44 117.00 116.32 2ksd n LEU 46 Ca -0.08 -4.22 -0.02 0.00 0.00 0.00 0.00 56.01 51.69 2ksd n LEU 46 Cb 0.68 -1.67 0.00 0.00 0.00 0.00 0.00 43.42 42.43 2ksd n LEU 46 CO 0.50 0.57 0.03 1.41 0.00 0.00 0.00 177.39 179.89 2ksd n HIS 47 N 6.70 -0.96 0.32 1.96 8.25 -1.26 -4.71 115.22 125.52 2ksd n HIS 47 Ca 0.44 0.39 0.19 0.00 -0.26 0.00 0.00 57.72 58.47 2ksd n HIS 47 Cb 0.43 -2.23 1.07 0.00 1.12 0.00 0.00 29.99 30.38 2ksd n HIS 47 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2ksd h GLY 48 N 0.50 0.00 -2.00 -1.41 0.00 -1.60 -3.40 103.07 95.16 2ksd h GLY 48 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2ksd h GLY 48 CO 0.06 0.00 0.35 1.20 0.00 0.00 0.00 176.54 178.15 2ksd s GLN 49 N -4.35 4.10 0.03 4.80 -0.21 -1.26 -4.88 119.66 117.90 2ksd s GLN 49 Ca -0.05 1.13 0.00 0.00 0.02 0.00 0.00 55.36 56.46 2ksd s GLN 49 Cb 0.14 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.99 2ksd s GLN 49 CO 0.48 -0.14 0.00 0.28 -2.12 0.00 0.00 175.29 173.78 2ksd n VAL 50 N -0.87 -1.25 -0.33 1.09 0.31 -1.26 -3.56 118.33 112.45 2ksd n VAL 50 Ca 0.07 0.14 0.22 0.00 -0.01 0.00 0.00 64.34 64.76 2ksd n VAL 50 Cb 0.54 -0.35 0.45 0.00 -0.91 0.00 0.00 33.84 33.57 2ksd n VAL 50 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2ksd h GLU 51 N 0.11 0.33 -0.61 5.55 9.09 -1.92 -2.94 114.58 124.19 2ksd h GLU 51 Ca 0.00 -0.02 -0.29 0.00 0.05 0.00 0.00 59.36 59.10 2ksd h GLU 51 Cb 0.00 -0.08 -0.34 0.00 -1.65 0.00 0.00 28.75 26.68 2ksd h GLU 51 CO 0.00 0.22 -0.98 -1.13 0.05 0.00 0.00 179.01 177.17 2ksd n SER 52 N -5.05 0.77 0.00 3.06 3.41 -1.26 -5.02 113.62 109.53 2ksd n SER 52 Ca 0.30 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 2ksd n SER 52 Cb 0.93 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 2ksd n SER 52 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2ksd n ILE 53 N -0.41 0.00 -3.86 -1.33 -0.00 -1.11 -4.60 119.36 108.04 2ksd n ILE 53 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.77 2ksd n ILE 53 Cb 0.82 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.46 2ksd n ILE 53 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2ksd n ASP 54 N 1.74 -0.14 -3.59 4.38 -0.08 -1.26 -4.72 116.55 112.88 2ksd n ASP 54 Ca 0.00 -1.28 -0.42 0.00 -1.51 0.00 0.00 54.79 51.58 2ksd n ASP 54 Cb 0.00 0.28 -0.05 0.00 2.34 0.00 0.00 41.12 43.69 2ksd n ASP 54 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2ksd n VAL 55 N -0.08 1.84 -3.16 5.18 0.24 -1.26 -4.91 118.33 116.18 2ksd n VAL 55 Ca 0.01 -1.56 -0.32 0.00 -2.04 0.00 0.00 64.34 60.42 2ksd n VAL 55 Cb 0.08 -2.30 -0.06 0.00 -1.47 0.00 0.00 33.84 30.09 2ksd n VAL 55 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2ksd s ILE 56 N 4.91 4.72 -0.12 1.34 -1.16 -1.26 -5.06 121.20 124.57 2ksd s ILE 56 Ca 0.56 0.86 -0.20 0.00 -0.51 0.00 0.00 60.65 61.36 2ksd s ILE 56 Cb 0.14 -3.62 -0.04 0.00 0.61 0.00 0.00 42.46 39.56 2ksd s ILE 56 CO 0.11 -0.19 0.56 -0.13 -2.81 0.00 0.00 174.94 172.47 2ksd s ARG 57 N -3.02 4.34 0.03 3.50 3.00 -1.26 -5.00 118.95 120.53 2ksd s ARG 57 Ca 0.53 0.58 -0.18 0.00 0.00 0.00 0.00 55.73 56.67 2ksd s ARG 57 Cb -0.10 -3.47 -0.10 0.00 0.00 0.00 0.00 34.95 31.28 2ksd s ARG 57 CO 0.19 0.06 1.23 0.66 0.00 0.00 0.00 175.30 177.44 2ksd h SER 58 N 6.88 -0.54 -0.97 0.23 4.64 -2.02 -2.83 113.55 118.95 2ksd h SER 58 Ca -0.39 0.02 0.28 0.00 -0.47 0.00 0.00 61.79 61.23 2ksd h SER 58 Cb 1.18 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 2ksd h SER 58 CO 0.76 -0.38 0.69 -0.29 -0.87 0.00 0.00 176.83 176.74 2ksd h ILE 59 N -0.66 0.52 -0.97 0.95 2.10 -2.03 -0.29 117.51 117.12 2ksd h ILE 59 Ca -0.07 -0.00 0.23 0.00 1.08 0.00 0.00 64.86 66.10 2ksd h ILE 59 Cb 0.49 0.51 -0.12 0.00 -1.09 0.00 0.00 36.82 36.61 2ksd h ILE 59 CO 0.11 0.00 0.54 0.15 -1.08 0.00 0.00 178.15 177.87 2ksd h PHE 60 N 0.01 0.93 -0.97 2.19 3.57 -1.91 0.41 116.94 121.16 2ksd h PHE 60 Ca 0.46 0.04 0.24 0.00 3.53 0.00 0.00 57.97 62.23 2ksd h PHE 60 Cb 1.84 -0.26 -0.08 0.00 2.79 0.00 0.00 35.95 40.24 2ksd h PHE 60 CO -0.00 0.06 0.64 0.35 -2.23 0.00 0.00 178.31 177.13 2ksd h PHE 61 N 0.56 0.55 -0.99 0.41 3.04 -1.11 -0.15 116.94 119.24 2ksd h PHE 61 Ca 0.61 0.02 0.30 0.00 3.98 0.00 0.00 57.97 62.88 2ksd h PHE 61 Cb 1.14 -0.16 -0.14 0.00 2.56 0.00 0.00 35.95 39.34 2ksd h PHE 61 CO -0.04 0.10 0.56 0.78 -2.02 0.00 0.00 178.31 177.69 2ksd h GLY 62 N 0.37 1.99 0.39 2.40 0.00 -0.34 0.44 103.07 108.32 2ksd h GLY 62 Ca 0.52 -0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.71 2ksd h GLY 62 CO -0.21 -0.42 0.28 -2.00 0.00 0.00 0.00 176.54 174.19 2ksd h LEU 63 N 0.38 0.31 -2.20 3.11 5.85 -1.16 0.19 115.31 121.80 2ksd h LEU 63 Ca 0.70 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.50 2ksd h LEU 63 Cb 1.53 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2ksd h LEU 63 CO -0.58 0.17 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.63 2ksd h LEU 64 N 0.48 0.00 -1.85 2.25 3.38 -0.26 -1.06 115.31 118.25 2ksd h LEU 64 Ca 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2ksd h LEU 64 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2ksd h LEU 64 CO -0.31 0.00 -0.13 0.40 0.09 0.00 0.00 178.44 178.49 2ksd h ILE 65 N 0.00 0.85 0.61 1.22 5.03 -0.36 -1.01 117.51 123.84 2ksd h ILE 65 Ca -0.00 -0.50 -0.03 0.00 -0.12 0.00 0.00 64.86 64.21 2ksd h ILE 65 Cb 0.00 1.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 2ksd h ILE 65 CO 0.00 0.13 -0.30 0.74 -0.68 0.00 0.00 178.15 178.04 2ksd h THR 66 N 0.00 0.00 -0.71 -0.27 2.02 -1.14 0.53 112.91 113.34 2ksd h THR 66 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2ksd h THR 66 Cb 0.28 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 2ksd h THR 66 CO 0.02 0.00 0.37 1.55 0.37 0.00 0.00 175.52 177.83 2ksd h PRO 67 N -0.83 1.00 -0.75 6.66 0.13 -1.69 -1.52 132.00 135.00 2ksd h PRO 67 Ca -0.08 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2ksd h PRO 67 Cb 0.64 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 2ksd h PRO 67 CO 0.13 0.76 0.45 2.35 -0.23 0.00 0.00 178.00 181.46 2ksd h TRP 68 N 0.98 0.84 -0.08 1.56 2.91 -1.15 0.23 115.95 121.24 2ksd h TRP 68 Ca 0.25 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 2ksd h TRP 68 Cb 0.06 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.44 2ksd h TRP 68 CO -0.00 0.43 0.03 0.00 -1.03 0.00 0.00 178.44 177.87 2ksd h ALA 69 N 1.36 0.11 -0.43 2.65 0.00 0.51 0.40 119.26 123.86 2ksd h ALA 69 Ca 0.33 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2ksd h ALA 69 Cb 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2ksd h ALA 69 CO -0.16 -0.30 0.23 0.28 0.00 0.00 0.00 179.25 179.30 2ksd h VAL 70 N -0.04 1.00 0.26 0.00 2.07 -0.75 0.39 116.25 119.18 2ksd h VAL 70 Ca 0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2ksd h VAL 70 Cb 0.19 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2ksd h VAL 70 CO -0.00 0.08 -0.13 1.88 0.02 0.00 0.00 177.57 179.43 2ksd h TYR 71 N 0.46 -0.33 -0.51 1.57 -1.99 -0.42 -0.94 116.97 114.81 2ksd h TYR 71 Ca 0.18 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.95 2ksd h TYR 71 Cb 0.06 0.11 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 2ksd h TYR 71 CO -0.09 -0.02 0.25 0.35 -0.00 0.00 0.00 178.16 178.65 2ksd h PHE 72 N -0.64 0.46 0.05 4.88 3.04 -0.07 0.29 116.94 124.95 2ksd h PHE 72 Ca -0.04 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.94 2ksd h PHE 72 Cb 0.45 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 2ksd h PHE 72 CO 0.01 0.22 -0.08 1.25 -2.02 0.00 0.00 178.31 177.70 2ksd h LEU 73 N 0.49 -0.22 -0.37 0.59 6.46 -0.21 0.46 115.31 122.52 2ksd h LEU 73 Ca 0.22 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 2ksd h LEU 73 Cb 0.14 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 2ksd h LEU 73 CO -0.16 -0.12 0.08 0.28 -0.62 0.00 0.00 178.44 177.90 2ksd h SER 74 N -0.16 0.03 -0.29 1.25 0.02 -0.72 0.17 113.55 113.85 2ksd h SER 74 Ca 0.02 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2ksd h SER 74 Cb 0.18 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2ksd h SER 74 CO -0.05 0.05 0.05 0.58 -1.14 0.00 0.00 176.83 176.32 2ksd h VAL 75 N 0.21 0.85 -0.54 2.27 2.07 0.04 -1.03 116.25 120.11 2ksd h VAL 75 Ca 0.17 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2ksd h VAL 75 Cb 0.19 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2ksd h VAL 75 CO -0.22 0.03 0.30 0.58 0.02 0.00 0.00 177.57 178.28 2ksd h VAL 76 N 0.15 1.00 -0.67 2.57 2.07 0.77 2.34 116.25 124.47 2ksd h VAL 76 Ca 0.13 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2ksd h VAL 76 Cb 0.15 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2ksd h VAL 76 CO -0.19 0.11 0.38 0.58 0.02 0.00 0.00 177.57 178.47 2ksd h VAL 77 N 0.58 0.99 0.24 2.57 2.07 -0.04 -2.73 116.25 119.93 2ksd h VAL 77 Ca 0.23 -0.25 -0.33 0.00 0.82 0.00 0.00 66.70 67.18 2ksd h VAL 77 Cb 0.10 0.21 0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2ksd h VAL 77 CO -0.14 0.13 -1.46 -0.08 0.02 0.00 0.00 177.57 176.04 2ksd h GLU 78 N 0.72 0.50 -3.65 1.57 4.81 -0.53 -3.38 114.58 114.62 2ksd h GLU 78 Ca 0.30 -0.86 -0.70 0.00 -0.13 0.00 0.00 59.36 57.96 2ksd h GLU 78 Cb 0.16 0.32 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2ksd h GLU 78 CO -0.17 1.41 3.28 0.94 -0.73 0.00 0.00 179.01 183.75 2ksd n GLN 79 N -3.69 3.18 -1.53 1.92 7.27 0.78 -4.87 117.38 120.44 2ksd n GLN 79 Ca -0.16 -2.55 -0.40 0.00 0.07 0.00 0.00 57.00 53.96 2ksd n GLN 79 Cb 1.10 -3.11 -0.05 0.00 2.41 0.00 0.00 30.24 30.59 2ksd n GLN 79 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2ksd n LEU 80 N 5.16 4.28 0.00 1.69 0.00 -1.24 -4.58 117.00 122.30 2ksd n LEU 80 Ca 0.59 -3.19 0.00 0.00 0.00 0.00 0.00 56.01 53.42 2ksd n LEU 80 Cb 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 43.42 42.39 2ksd n LEU 80 CO 0.88 -0.47 0.00 1.21 0.00 0.00 0.00 177.39 179.01 2ksd n GLU 81 N 7.27 0.00 0.00 1.96 2.13 -1.26 -4.78 120.64 125.95 2ksd n GLU 81 Ca 0.49 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2ksd n GLU 81 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 2ksd n GLU 81 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2ksd n GLU 82 N 0.00 0.00 -3.76 5.31 2.13 -1.26 -4.73 120.64 118.33 2ksd n GLU 82 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2ksd n GLU 82 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 2ksd n GLU 82 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ksd n SER 83 N 2.13 -1.09 -4.22 4.31 2.88 -1.26 -5.03 113.62 111.33 2ksd n SER 83 Ca 0.00 -1.25 -0.41 0.00 -1.33 0.00 0.00 58.87 55.89 2ksd n SER 83 Cb 0.00 1.69 -0.02 0.00 -0.75 0.00 0.00 64.21 65.14 2ksd n SER 83 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2ksd n ARG 84 N -0.81 2.68 -2.81 -1.46 0.63 -1.26 -4.23 116.66 109.39 2ksd n ARG 84 Ca 0.04 -2.80 -0.11 0.00 -0.92 0.00 0.00 57.85 54.05 2ksd n ARG 84 Cb 0.52 -3.41 0.05 0.00 0.45 0.00 0.00 32.46 30.07 2ksd n ARG 84 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2ksd n GLN 85 N 7.54 -1.93 -0.07 -0.14 7.27 -1.26 -5.01 117.38 123.78 2ksd n GLN 85 Ca 0.49 0.64 -0.04 0.00 0.07 0.00 0.00 57.00 58.16 2ksd n GLN 85 Cb 0.43 -4.72 -0.01 0.00 2.41 0.00 0.00 30.24 28.35 2ksd n GLN 85 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2ksd h ARG 86 N -0.85 0.00 -4.16 3.69 2.43 -1.92 -3.50 114.38 110.08 2ksd h ARG 86 Ca -0.45 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 2ksd h ARG 86 Cb 1.23 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.63 2ksd h ARG 86 CO 0.33 0.01 -0.64 -0.48 -1.51 0.00 0.00 179.97 177.68 2ksd s LEU 87 N -8.28 2.33 0.00 3.80 0.05 -1.26 -5.14 118.68 110.19 2ksd s LEU 87 Ca -0.12 -0.91 -0.03 0.00 0.05 0.00 0.00 54.13 53.11 2ksd s LEU 87 Cb 0.02 0.29 0.10 0.00 -2.05 0.00 0.00 46.19 44.56 2ksd s LEU 87 CO 0.19 -0.59 0.67 -1.20 -0.55 0.00 0.00 176.35 174.87 2ksd n SER 88 N 0.23 0.56 0.00 1.48 7.64 -1.26 -5.06 113.62 117.21 2ksd n SER 88 Ca -0.15 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.18 2ksd n SER 88 Cb 0.61 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2ksd n SER 88 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89