#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksd s MET 16 N 0.00 0.56 -1.11 2.12 1.00 -1.26 -5.06 119.30 115.56 2ksd s MET 16 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 55.69 54.77 2ksd s MET 16 Cb 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 34.83 34.41 2ksd s MET 16 CO 0.00 0.06 2.20 1.17 0.00 0.00 0.00 175.02 178.45 2ksd n LYS 17 N 1.44 2.31 -1.29 2.03 4.81 -1.26 -4.80 118.16 121.40 2ksd n LYS 17 Ca -0.23 -1.99 -0.37 0.00 -0.87 0.00 0.00 58.31 54.85 2ksd n LYS 17 Cb 0.55 -2.88 -0.02 0.00 0.02 0.00 0.00 35.03 32.69 2ksd n LYS 17 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2ksd n LEU 18 N 5.75 7.91 0.00 3.14 4.32 -1.26 -4.78 117.00 132.08 2ksd n LEU 18 Ca 0.53 -4.11 0.00 0.00 -0.02 0.00 0.00 56.01 52.41 2ksd n LEU 18 Cb 0.31 -1.50 0.00 0.00 -1.62 0.00 0.00 43.42 40.60 2ksd n LEU 18 CO 0.90 1.70 0.00 0.61 -1.22 0.00 0.00 177.39 179.37 2ksd n GLY 19 N 3.70 1.17 3.77 -0.72 0.00 -1.26 -4.83 105.19 107.03 2ksd n GLY 19 Ca 0.70 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 46.38 2ksd n GLY 19 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ksd s LEU 20 N 0.00 4.54 0.43 0.99 1.98 -1.26 -4.96 118.68 120.40 2ksd s LEU 20 Ca 0.00 1.82 0.11 0.00 -2.89 0.00 0.00 54.13 53.17 2ksd s LEU 20 Cb 0.00 -3.64 0.95 0.00 0.66 0.00 0.00 46.19 44.16 2ksd s LEU 20 CO 0.00 0.11 2.03 0.58 -1.89 0.00 0.00 176.35 177.18 2ksd h VAL 21 N 3.03 1.10 -1.20 1.68 2.07 -1.95 -3.44 116.25 117.54 2ksd h VAL 21 Ca -0.46 -0.36 -0.52 0.00 0.82 0.00 0.00 66.70 66.18 2ksd h VAL 21 Cb 1.20 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2ksd h VAL 21 CO 0.67 0.13 -0.34 -0.13 0.02 0.00 0.00 177.57 177.91 2ksd s ARG 22 N -5.08 2.42 -0.63 1.57 1.81 -1.26 -4.98 118.95 112.80 2ksd s ARG 22 Ca -0.06 -1.70 -0.07 0.00 -1.72 0.00 0.00 55.73 52.17 2ksd s ARG 22 Cb 0.17 -2.30 -0.07 0.00 -0.45 0.00 0.00 34.95 32.30 2ksd s ARG 22 CO 0.71 -0.36 1.78 1.19 -0.68 0.00 0.00 175.30 177.94 2ksd n PHE 23 N -1.65 1.02 -2.12 -0.53 3.72 -1.26 -4.80 117.46 111.84 2ksd n PHE 23 Ca 0.03 -1.51 0.00 0.00 -0.05 0.00 0.00 57.45 55.92 2ksd n PHE 23 Cb 0.63 -1.36 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 2ksd n PHE 23 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ksd n SER 24 N 5.03 0.06 -3.84 4.37 2.88 -1.26 -4.75 113.62 116.12 2ksd n SER 24 Ca 0.34 -0.09 -0.28 0.00 -1.33 0.00 0.00 58.87 57.51 2ksd n SER 24 Cb 0.14 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.64 2ksd n SER 24 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2ksd n MET 25 N -0.09 -5.62 -0.38 -1.46 0.00 -1.26 -4.84 117.12 103.47 2ksd n MET 25 Ca 0.00 0.62 0.30 0.00 0.00 0.00 0.00 57.70 58.62 2ksd n MET 25 Cb 0.00 -5.46 0.57 0.00 0.00 0.00 0.00 33.22 28.33 2ksd n MET 25 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 2ksd h LEU 26 N -2.10 0.37 -1.44 -0.89 8.10 -1.93 0.18 115.31 117.60 2ksd h LEU 26 Ca -0.59 0.14 0.30 0.00 0.11 0.00 0.00 57.88 57.84 2ksd h LEU 26 Cb 1.37 0.11 -0.09 0.00 -0.44 0.00 0.00 40.66 41.61 2ksd h LEU 26 CO 0.64 -0.12 0.71 -0.07 -4.11 0.00 0.00 178.44 175.49 2ksd h LEU 27 N 0.22 0.37 -0.94 0.17 3.38 -1.91 0.10 115.31 116.70 2ksd h LEU 27 Ca 0.74 0.08 0.25 0.00 0.09 0.00 0.00 57.88 59.05 2ksd h LEU 27 Cb 2.07 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 42.71 2ksd h LEU 27 CO -0.45 0.04 0.45 0.00 0.09 0.00 0.00 178.44 178.57 2ksd h ALA 28 N 1.60 1.62 -0.94 1.53 0.00 -0.99 0.20 119.26 122.28 2ksd h ALA 28 Ca 0.62 0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.93 2ksd h ALA 28 Cb 1.73 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.55 2ksd h ALA 28 CO -0.28 -0.41 0.47 -0.07 0.00 0.00 0.00 179.25 178.96 2ksd h LEU 29 N 0.38 0.47 -1.00 0.00 3.38 -1.16 0.51 115.31 117.89 2ksd h LEU 29 Ca 0.62 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.73 2ksd h LEU 29 Cb 1.27 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 2ksd h LEU 29 CO -0.56 0.04 0.47 0.00 0.09 0.00 0.00 178.44 178.48 2ksd h ALA 30 N 1.72 1.24 -0.19 1.53 0.00 -0.76 0.24 119.26 123.04 2ksd h ALA 30 Ca 0.59 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 2ksd h ALA 30 Cb 1.13 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ksd h ALA 30 CO -0.51 0.62 -0.27 -0.07 0.00 0.00 0.00 179.25 179.02 2ksd h LEU 31 N 1.18 0.57 0.01 0.00 4.07 -0.15 0.16 115.31 121.16 2ksd h LEU 31 Ca 0.30 -0.51 0.01 0.00 0.08 0.00 0.00 57.88 57.76 2ksd h LEU 31 Cb 0.01 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2ksd h LEU 31 CO -0.05 0.97 -0.08 0.58 -1.08 0.00 0.00 178.44 178.79 2ksd h VAL 32 N 0.19 0.81 -0.35 1.22 2.07 -0.19 0.21 116.25 120.21 2ksd h VAL 32 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2ksd h VAL 32 Cb 0.84 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2ksd h VAL 32 CO 0.06 0.00 0.21 0.58 0.02 0.00 0.00 177.57 178.44 2ksd h VAL 33 N -0.14 1.12 -0.20 2.57 2.07 -0.52 -0.75 116.25 120.38 2ksd h VAL 33 Ca 0.03 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2ksd h VAL 33 Cb 0.17 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 2ksd h VAL 33 CO -0.07 0.12 -0.17 -0.07 0.02 0.00 0.00 177.57 177.40 2ksd h LEU 34 N 0.45 -0.54 -0.13 2.57 3.38 -0.26 0.29 115.31 121.07 2ksd h LEU 34 Ca 0.12 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2ksd h LEU 34 Cb 0.01 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2ksd h LEU 34 CO -0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 178.44 178.24 2ksd h ALA 35 N 0.94 0.05 -0.09 1.53 0.00 -0.34 0.23 119.26 121.57 2ksd h ALA 35 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2ksd h ALA 35 Cb 0.36 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2ksd h ALA 35 CO -0.31 -0.51 -0.11 0.82 0.00 0.00 0.00 179.25 179.14 2ksd h ILE 36 N -0.05 0.69 -0.09 0.00 2.04 -0.54 0.26 117.51 119.83 2ksd h ILE 36 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 2ksd h ILE 36 Cb 0.15 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2ksd h ILE 36 CO -0.16 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.53 2ksd h VAL 37 N -0.15 0.86 -0.21 1.67 2.07 -0.13 0.29 116.25 120.65 2ksd h VAL 37 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 2ksd h VAL 37 Cb 0.25 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2ksd h VAL 37 CO -0.18 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 177.95 2ksd h VAL 38 N -0.03 0.81 -0.42 2.57 2.07 -0.20 0.31 116.25 121.36 2ksd h VAL 38 Ca 0.05 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2ksd h VAL 38 Cb 0.11 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2ksd h VAL 38 CO -0.11 0.00 0.23 1.56 0.02 0.00 0.00 177.57 179.27 2ksd h GLN 39 N 0.02 0.45 -0.14 1.57 4.20 -0.13 0.22 115.11 121.31 2ksd h GLN 39 Ca 0.10 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.79 2ksd h GLN 39 Cb 0.14 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2ksd h GLN 39 CO -0.20 0.30 0.07 1.98 -0.67 0.00 0.00 178.83 180.32 2ksd h MET 40 N 0.47 0.15 0.47 1.46 4.05 0.13 0.20 114.93 121.86 2ksd h MET 40 Ca 0.17 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 2ksd h MET 40 Cb 0.04 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2ksd h MET 40 CO -0.10 0.10 -0.29 0.00 0.23 0.00 0.00 176.91 176.85 2ksd h ALA 41 N 1.06 -0.72 -0.54 0.39 0.00 0.01 0.36 119.26 119.82 2ksd h ALA 41 Ca 0.05 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2ksd h ALA 41 Cb 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2ksd h ALA 41 CO -0.03 -0.92 0.11 0.28 0.00 0.00 0.00 179.25 178.69 2ksd h VAL 42 N -0.72 0.69 -0.47 0.00 2.07 -0.45 0.28 116.25 117.65 2ksd h VAL 42 Ca -0.05 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2ksd h VAL 42 Cb 0.59 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2ksd h VAL 42 CO 0.05 0.04 0.27 0.74 0.02 0.00 0.00 177.57 178.70 2ksd h THR 43 N 0.24 1.16 -0.58 2.57 2.02 -0.33 0.14 112.91 118.13 2ksd h THR 43 Ca 0.27 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2ksd h THR 43 Cb 0.38 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2ksd h THR 43 CO -0.36 0.16 0.23 -0.03 0.37 0.00 0.00 175.52 175.90 2ksd h MET 44 N 0.62 0.87 0.00 6.66 4.05 0.85 -2.80 114.93 125.18 2ksd h MET 44 Ca 0.17 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 2ksd h MET 44 Cb 0.03 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 2ksd h MET 44 CO -0.03 0.75 -0.45 -0.39 0.23 0.00 0.00 176.91 177.02 2ksd h VAL 45 N 0.80 0.93 -3.80 -5.77 -1.51 -0.29 -3.46 116.25 103.15 2ksd h VAL 45 Ca 0.19 -1.82 -0.29 0.00 -1.23 0.00 0.00 66.70 63.55 2ksd h VAL 45 Cb 0.20 2.11 0.09 0.00 -2.13 0.00 0.00 31.29 31.57 2ksd h VAL 45 CO -0.02 0.44 0.20 0.18 -1.23 0.00 0.00 177.57 177.14 2ksd n LEU 46 N -3.44 0.00 -0.23 4.19 7.99 0.45 -4.97 117.00 120.99 2ksd n LEU 46 Ca 0.00 -1.12 0.04 0.00 -0.01 0.00 0.00 56.01 54.92 2ksd n LEU 46 Cb 0.59 -0.57 0.16 0.00 -0.11 0.00 0.00 43.42 43.49 2ksd n LEU 46 CO 0.38 -1.01 0.93 -0.74 -1.51 0.00 0.00 177.39 175.45 2ksd h HIS 47 N -1.13 0.27 0.00 -1.77 6.17 -1.88 -3.46 115.15 113.35 2ksd h HIS 47 Ca -0.26 0.04 0.00 0.00 0.71 0.00 0.00 60.37 60.86 2ksd h HIS 47 Cb 0.79 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.71 2ksd h HIS 47 CO 0.00 -0.06 0.00 0.41 0.71 0.00 0.00 177.93 178.99 2ksd n GLY 48 N -1.34 1.04 5.00 5.26 0.00 -1.24 -4.86 105.19 109.05 2ksd n GLY 48 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2ksd n GLY 48 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksd n GLN 49 N 0.00 0.00 -3.60 1.61 7.27 -1.26 -4.57 117.38 116.83 2ksd n GLN 49 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 2ksd n GLN 49 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 2ksd n GLN 49 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2ksd s VAL 50 N 0.00 -0.56 -0.69 1.69 -7.23 -1.26 -5.05 120.40 107.30 2ksd s VAL 50 Ca 0.00 0.15 -0.05 0.00 -1.81 0.00 0.00 61.98 60.28 2ksd s VAL 50 Cb 0.00 -0.62 -0.06 0.00 0.56 0.00 0.00 36.38 36.26 2ksd s VAL 50 CO 0.00 0.04 1.99 -0.62 -0.31 0.00 0.00 175.10 176.20 2ksd n GLU 51 N 5.37 1.71 -2.80 4.82 4.71 -1.26 -4.54 120.64 128.65 2ksd n GLU 51 Ca -0.07 -1.22 -0.05 0.00 -0.01 0.00 0.00 57.16 55.82 2ksd n GLU 51 Cb 0.50 -2.30 0.01 0.00 -1.01 0.00 0.00 31.44 28.63 2ksd n GLU 51 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2ksd n SER 52 N 4.07 -7.96 0.00 1.62 7.64 -1.26 -5.05 113.62 112.68 2ksd n SER 52 Ca 0.37 0.95 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2ksd n SER 52 Cb 0.16 -5.29 0.00 0.00 -1.01 0.00 0.00 64.21 58.07 2ksd n SER 52 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2ksd n ILE 53 N 0.18 0.00 -0.07 0.44 -5.35 -1.26 -4.92 119.36 108.38 2ksd n ILE 53 Ca 0.06 0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.61 2ksd n ILE 53 Cb 0.25 -1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 36.95 2ksd n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2ksd n ASP 54 N -1.89 1.95 -0.30 7.28 5.68 -1.26 -4.69 116.55 123.32 2ksd n ASP 54 Ca 0.00 0.05 0.13 0.00 -0.50 0.00 0.00 54.79 54.47 2ksd n ASP 54 Cb 0.00 -0.31 0.26 0.00 -1.14 0.00 0.00 41.12 39.93 2ksd n ASP 54 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2ksd n VAL 55 N -3.26 -0.36 -3.50 2.12 0.31 -1.26 -4.18 118.33 108.20 2ksd n VAL 55 Ca -0.25 1.91 -0.37 0.00 -0.01 0.00 0.00 64.34 65.62 2ksd n VAL 55 Cb 0.72 -2.79 -0.06 0.00 -0.91 0.00 0.00 33.84 30.79 2ksd n VAL 55 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2ksd s ILE 56 N -5.83 5.20 -0.84 2.52 -5.25 -1.26 -5.01 121.20 110.73 2ksd s ILE 56 Ca -0.11 0.72 -0.25 0.00 -0.99 0.00 0.00 60.65 60.01 2ksd s ILE 56 Cb 0.26 -3.69 -0.02 0.00 2.95 0.00 0.00 42.46 41.96 2ksd s ILE 56 CO 0.68 0.45 1.83 -0.13 -1.79 0.00 0.00 174.94 175.98 2ksd s ARG 57 N -0.11 2.73 0.13 0.37 1.81 -1.26 -4.81 118.95 117.81 2ksd s ARG 57 Ca 0.21 -0.18 -0.12 0.00 -1.72 0.00 0.00 55.73 53.92 2ksd s ARG 57 Cb -0.15 -4.89 0.10 0.00 -0.45 0.00 0.00 34.95 29.56 2ksd s ARG 57 CO 0.08 -3.02 0.91 -1.13 -0.68 0.00 0.00 175.30 171.47 2ksd n SER 58 N 12.81 -0.44 -0.39 0.23 3.41 -1.26 0.16 113.62 128.14 2ksd n SER 58 Ca 0.33 1.03 0.32 0.00 -0.26 0.00 0.00 58.87 60.29 2ksd n SER 58 Cb 0.49 -0.21 0.63 0.00 -0.26 0.00 0.00 64.21 64.86 2ksd n SER 58 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2ksd h ILE 59 N 0.00 0.33 -0.89 -1.33 3.07 -2.01 0.25 117.51 116.92 2ksd h ILE 59 Ca 0.18 -0.06 0.26 0.00 1.55 0.00 0.00 64.86 66.78 2ksd h ILE 59 Cb 0.32 0.13 -0.04 0.00 -0.27 0.00 0.00 36.82 36.97 2ksd h ILE 59 CO -0.58 0.03 0.67 0.15 -1.05 0.00 0.00 178.15 177.38 2ksd h PHE 60 N 0.18 0.00 -0.96 0.16 3.04 0.11 -0.84 116.94 118.63 2ksd h PHE 60 Ca 0.69 0.00 0.28 0.00 3.98 0.00 0.00 57.97 62.92 2ksd h PHE 60 Cb 2.19 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 40.56 2ksd h PHE 60 CO -0.00 0.00 0.48 0.35 -2.02 0.00 0.00 178.31 177.11 2ksd h PHE 61 N 0.00 0.78 -0.92 0.41 3.04 -0.64 0.20 116.94 119.81 2ksd h PHE 61 Ca 0.42 0.04 0.25 0.00 3.98 0.00 0.00 57.97 62.66 2ksd h PHE 61 Cb 1.76 -0.19 -0.13 0.00 2.56 0.00 0.00 35.95 39.94 2ksd h PHE 61 CO 0.00 -0.13 0.40 0.78 -2.02 0.00 0.00 178.31 177.34 2ksd h GLY 62 N 0.35 1.62 0.67 2.40 0.00 -1.36 0.45 103.07 107.19 2ksd h GLY 62 Ca 0.66 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.90 2ksd h GLY 62 CO -0.59 -0.34 0.50 1.41 0.00 0.00 0.00 176.54 177.53 2ksd h LEU 63 N 0.35 0.77 -2.40 3.11 4.07 -0.80 0.10 115.31 120.50 2ksd h LEU 63 Ca 0.60 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.58 2ksd h LEU 63 Cb 1.21 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 2ksd h LEU 63 CO -0.57 0.48 -0.01 0.25 -1.08 0.00 0.00 178.44 177.50 2ksd h LEU 64 N 0.89 0.00 -2.30 1.67 5.85 -0.16 -1.29 115.31 119.98 2ksd h LEU 64 Ca 0.37 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 2ksd h LEU 64 Cb 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2ksd h LEU 64 CO -0.19 0.01 -0.03 -0.29 -0.34 0.00 0.00 178.44 177.61 2ksd h ILE 65 N 0.00 0.61 0.48 4.05 6.09 -0.43 -0.85 117.51 127.45 2ksd h ILE 65 Ca -0.00 -0.11 -0.02 0.00 -1.37 0.00 0.00 64.86 63.36 2ksd h ILE 65 Cb 0.04 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.40 2ksd h ILE 65 CO 0.00 0.03 -0.23 0.74 -3.07 0.00 0.00 178.15 175.62 2ksd h THR 66 N 0.00 0.00 -0.68 2.19 2.02 -1.31 0.46 112.91 115.59 2ksd h THR 66 Ca -0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2ksd h THR 66 Cb 0.07 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 2ksd h THR 66 CO 0.00 0.00 0.34 1.55 0.37 0.00 0.00 175.52 177.78 2ksd h PRO 67 N -0.67 0.97 -0.27 6.66 0.13 -1.71 -0.60 132.00 136.52 2ksd h PRO 67 Ca -0.07 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2ksd h PRO 67 Cb 0.49 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 2ksd h PRO 67 CO 0.11 0.76 0.13 2.35 -0.23 0.00 0.00 178.00 181.12 2ksd h TRP 68 N 0.94 0.24 0.01 1.56 2.91 -1.18 0.25 115.95 120.69 2ksd h TRP 68 Ca 0.23 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.27 2ksd h TRP 68 Cb 0.10 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 2ksd h TRP 68 CO 0.00 0.13 -0.01 0.00 -1.03 0.00 0.00 178.44 177.53 2ksd h ALA 69 N 1.14 -0.02 -0.29 2.65 0.00 0.14 0.40 119.26 123.28 2ksd h ALA 69 Ca 0.11 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2ksd h ALA 69 Cb 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2ksd h ALA 69 CO -0.08 -0.43 0.05 0.28 0.00 0.00 0.00 179.25 179.06 2ksd h VAL 70 N -0.18 0.85 0.53 0.00 2.07 -0.91 0.34 116.25 118.94 2ksd h VAL 70 Ca -0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2ksd h VAL 70 Cb 0.17 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2ksd h VAL 70 CO 0.00 0.03 -0.25 1.88 0.02 0.00 0.00 177.57 179.25 2ksd h TYR 71 N 0.15 -0.66 -0.13 1.57 -1.99 -0.40 -0.82 116.97 114.69 2ksd h TYR 71 Ca 0.14 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.90 2ksd h TYR 71 Cb 0.15 0.22 -0.06 0.00 2.00 0.00 0.00 36.73 39.04 2ksd h TYR 71 CO -0.18 -0.36 -0.34 0.74 -0.00 0.00 0.00 178.16 178.03 2ksd h PHE 72 N -0.85 -0.94 -0.53 4.88 -1.00 -0.00 0.49 116.94 118.99 2ksd h PHE 72 Ca -0.07 0.04 0.10 0.00 2.81 0.00 0.00 57.97 60.84 2ksd h PHE 72 Cb 0.60 0.43 -0.08 0.00 3.61 0.00 0.00 35.95 40.51 2ksd h PHE 72 CO -0.01 -0.41 0.08 1.25 -1.61 0.00 0.00 178.31 177.61 2ksd h LEU 73 N -0.41 -0.06 -0.26 1.54 7.12 -0.33 0.34 115.31 123.24 2ksd h LEU 73 Ca 0.09 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.23 2ksd h LEU 73 Cb 0.56 0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.82 2ksd h LEU 73 CO -0.36 -0.01 0.10 0.28 -0.13 0.00 0.00 178.44 178.32 2ksd h SER 74 N 0.21 0.12 -0.52 1.25 0.02 -0.11 -0.55 113.55 113.97 2ksd h SER 74 Ca 0.27 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.32 2ksd h SER 74 Cb 0.39 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 2ksd h SER 74 CO -0.38 0.10 0.18 0.58 -1.14 0.00 0.00 176.83 176.18 2ksd h VAL 75 N 0.23 0.81 -0.71 2.27 2.07 0.15 -0.54 116.25 120.53 2ksd h VAL 75 Ca 0.11 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2ksd h VAL 75 Cb 0.07 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2ksd h VAL 75 CO -0.11 0.07 0.40 0.58 0.02 0.00 0.00 177.57 178.52 2ksd h VAL 76 N 0.36 0.95 -0.47 2.57 2.07 0.36 0.58 116.25 122.66 2ksd h VAL 76 Ca 0.25 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2ksd h VAL 76 Cb 0.28 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2ksd h VAL 76 CO -0.26 0.13 0.31 0.58 0.02 0.00 0.00 177.57 178.35 2ksd h VAL 77 N 0.71 1.11 -0.32 2.57 2.07 0.24 -1.30 116.25 121.34 2ksd h VAL 77 Ca 0.32 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2ksd h VAL 77 Cb 0.23 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2ksd h VAL 77 CO -0.20 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 176.88 2ksd n GLU 78 N -4.77 2.08 -4.04 1.57 4.71 -0.35 -2.13 120.64 117.73 2ksd n GLU 78 Ca 0.02 -1.28 -0.35 0.00 -0.01 0.00 0.00 57.16 55.54 2ksd n GLU 78 Cb 0.03 -1.44 -0.14 0.00 -1.01 0.00 0.00 31.44 28.88 2ksd n GLU 78 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2ksd s GLN 79 N -1.63 3.37 0.20 3.49 -1.52 0.19 -4.92 119.66 118.85 2ksd s GLN 79 Ca 0.23 -0.64 -0.31 0.00 -1.95 0.00 0.00 55.36 52.70 2ksd s GLN 79 Cb 0.14 -2.94 -0.10 0.00 -0.22 0.00 0.00 33.01 29.90 2ksd s GLN 79 CO 0.13 -0.13 1.45 -0.48 -0.25 0.00 0.00 175.29 176.01 2ksd s LEU 80 N 1.30 4.38 0.40 2.90 0.05 -1.26 -4.67 118.68 121.78 2ksd s LEU 80 Ca 0.04 2.58 0.07 0.00 0.05 0.00 0.00 54.13 56.87 2ksd s LEU 80 Cb -0.14 -3.61 -0.06 0.00 -2.05 0.00 0.00 46.19 40.33 2ksd s LEU 80 CO -0.03 -0.71 0.10 -1.83 -0.55 0.00 0.00 176.35 173.33 2ksd s GLU 81 N 0.23 2.11 -0.82 1.48 4.04 -1.26 -4.91 118.70 119.57 2ksd s GLU 81 Ca 0.62 -1.93 -0.02 0.00 0.04 0.00 0.00 54.97 53.68 2ksd s GLU 81 Cb -0.41 -1.85 0.28 0.00 0.02 0.00 0.00 34.13 32.16 2ksd s GLU 81 CO 0.38 -0.06 2.16 0.39 -1.84 0.00 0.00 175.26 176.29 2ksd n GLU 82 N -1.10 3.20 0.11 -4.83 1.02 -1.26 -4.08 120.64 113.70 2ksd n GLU 82 Ca -0.03 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.64 2ksd n GLU 82 Cb 0.65 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2ksd n GLU 82 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ksd n SER 83 N -0.08 0.24 -0.82 1.62 2.88 -1.26 -5.02 113.62 111.18 2ksd n SER 83 Ca 0.52 0.35 -0.05 0.00 -1.33 0.00 0.00 58.87 58.36 2ksd n SER 83 Cb 0.30 0.15 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 2ksd n SER 83 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2ksd n ARG 84 N -3.42 0.00 -0.92 -1.46 0.00 -1.26 -5.16 116.66 104.43 2ksd n ARG 84 Ca 0.00 -0.66 0.12 0.00 -0.00 0.00 0.00 57.85 57.31 2ksd n ARG 84 Cb 0.02 0.46 -0.04 0.00 -0.00 0.00 0.00 32.46 32.89 2ksd n ARG 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2ksd n GLN 85 N 0.00 -1.99 0.00 2.89 3.00 -1.26 -5.06 117.38 114.97 2ksd n GLN 85 Ca -0.18 1.48 0.00 0.00 -0.01 0.00 0.00 57.00 58.28 2ksd n GLN 85 Cb 0.56 -2.37 0.00 0.00 0.00 0.00 0.00 30.24 28.42 2ksd n GLN 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ksd n ARG 86 N -3.62 0.00 -2.98 -1.09 5.12 -1.26 -4.81 116.66 108.01 2ksd n ARG 86 Ca -0.02 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.45 2ksd n ARG 86 Cb 0.43 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.71 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2ksd s LEU 87 N 0.00 5.27 0.00 0.55 1.43 -0.90 -4.61 118.68 120.42 2ksd s LEU 87 Ca 0.00 -2.19 0.00 0.00 -1.03 0.00 0.00 54.13 50.91 2ksd s LEU 87 Cb 0.00 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2ksd s LEU 87 CO 0.00 -0.98 0.00 -0.24 0.23 0.00 0.00 176.35 175.36 2ksd n SER 88 N 6.15 0.00 -0.65 2.29 2.88 -1.26 -4.92 113.62 118.11 2ksd n SER 88 Ca 0.23 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.86 2ksd n SER 88 Cb 0.48 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.01 2ksd n SER 88 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67