#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 2.47 -0.41 2.12 0.00 -1.26 -5.03 119.30 117.19 2ksd s MET 16 Ca 0.00 1.73 0.03 0.00 0.00 0.00 0.00 55.69 57.45 2ksd s MET 16 Cb 0.00 -1.88 0.19 0.00 0.00 0.00 0.00 34.83 33.14 2ksd s MET 16 CO 0.00 -1.57 0.78 -1.59 0.00 0.00 0.00 175.02 172.64 2ksd s LYS 17 N -3.77 0.70 0.22 3.16 -2.85 -1.26 -5.05 119.74 110.88 2ksd s LYS 17 Ca 0.74 -0.41 -0.22 0.00 -1.00 0.00 0.00 55.97 55.08 2ksd s LYS 17 Cb -0.28 0.04 0.04 0.00 -2.06 0.00 0.00 37.83 35.57 2ksd s LYS 17 CO 0.41 -0.95 0.68 -0.48 0.10 0.00 0.00 175.35 175.11 2ksd s LEU 18 N 1.55 -0.39 -0.06 2.77 2.34 -1.26 -5.01 118.68 118.63 2ksd s LEU 18 Ca 0.20 -0.35 -0.04 0.00 0.06 0.00 0.00 54.13 54.00 2ksd s LEU 18 Cb -0.00 2.65 -0.03 0.00 -0.56 0.00 0.00 46.19 48.25 2ksd s LEU 18 CO -0.08 -1.17 -0.10 0.61 -1.06 0.00 0.00 176.35 174.54 2ksd n GLY 19 N -0.42 -0.14 0.70 -3.48 0.00 -1.25 -4.24 105.19 96.35 2ksd n GLY 19 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.47 1.30 0.00 0.99 7.99 -1.26 -4.88 117.00 117.69 2ksd n LEU 20 Ca -0.13 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2ksd n LEU 20 Cb 0.50 -0.45 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2ksd n LEU 20 CO 0.02 -0.46 0.00 1.33 -1.51 0.00 0.00 177.39 176.77 2ksd n VAL 21 N -3.78 0.00 -2.75 4.08 0.24 -1.26 -5.06 118.33 109.80 2ksd n VAL 21 Ca -0.07 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2ksd n VAL 21 Cb 0.26 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.66 2ksd n VAL 21 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ksd n ARG 22 N -0.57 1.12 -2.70 7.34 5.12 -1.26 -4.93 116.66 120.77 2ksd n ARG 22 Ca 0.00 -3.11 -0.07 0.00 -1.93 0.00 0.00 57.85 52.74 2ksd n ARG 22 Cb 0.00 -1.20 0.10 0.00 -1.16 0.00 0.00 32.46 30.21 2ksd n ARG 22 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2ksd n PHE 23 N -0.05 -2.43 -0.62 -1.55 -1.74 -1.26 -5.15 117.46 104.66 2ksd n PHE 23 Ca 0.10 -1.89 0.08 0.00 -0.56 0.00 0.00 57.45 55.19 2ksd n PHE 23 Cb 0.79 1.59 -0.02 0.00 1.52 0.00 0.00 39.48 43.36 2ksd n PHE 23 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2ksd n SER 24 N -0.32 -3.70 -3.80 5.98 7.64 -1.26 -4.48 113.62 113.68 2ksd n SER 24 Ca -0.02 0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 2ksd n SER 24 Cb 0.80 -1.93 0.01 0.00 -1.01 0.00 0.00 64.21 62.08 2ksd n SER 24 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ksd n MET 25 N -2.77 4.55 0.26 1.43 0.00 -1.26 -3.90 117.12 115.42 2ksd n MET 25 Ca -0.00 -4.18 0.15 0.00 0.00 0.00 0.00 57.70 53.66 2ksd n MET 25 Cb 0.29 -2.61 0.85 0.00 0.00 0.00 0.00 33.22 31.74 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 5.70 0.00 -1.22 4.03 -0.00 -1.94 -2.59 115.31 119.29 2ksd h LEU 26 Ca 0.40 0.00 0.28 0.00 -0.00 0.00 0.00 57.88 58.56 2ksd h LEU 26 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.05 2ksd h LEU 26 CO 1.39 0.00 0.65 0.25 -0.00 0.00 0.00 178.44 180.73 2ksd h LEU 27 N 0.00 0.50 -1.29 0.17 6.46 -1.89 -0.07 115.31 119.18 2ksd h LEU 27 Ca 0.03 0.11 0.25 0.00 -0.12 0.00 0.00 57.88 58.15 2ksd h LEU 27 Cb 0.18 0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.06 2ksd h LEU 27 CO -0.00 0.05 0.64 0.00 -0.62 0.00 0.00 178.44 178.51 2ksd h ALA 28 N 1.67 2.10 -0.99 1.25 0.00 -1.88 0.37 119.26 121.79 2ksd h ALA 28 Ca 0.64 0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.83 2ksd h ALA 28 Cb 1.54 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 2ksd h ALA 28 CO -0.39 -0.50 0.62 1.25 0.00 0.00 0.00 179.25 180.23 2ksd h LEU 29 N 0.47 0.62 -1.09 0.00 7.12 -1.23 0.36 115.31 121.55 2ksd h LEU 29 Ca 0.58 0.08 0.05 0.00 0.13 0.00 0.00 57.88 58.73 2ksd h LEU 29 Cb 1.35 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 41.40 2ksd h LEU 29 CO -0.31 0.20 0.61 0.00 -0.13 0.00 0.00 178.44 178.81 2ksd h ALA 30 N 1.64 1.43 -0.27 1.25 0.00 -1.08 0.23 119.26 122.46 2ksd h ALA 30 Ca 0.56 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.36 2ksd h ALA 30 Cb 1.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ksd h ALA 30 CO -0.32 0.45 -0.13 1.25 0.00 0.00 0.00 179.25 180.49 2ksd h LEU 31 N 1.13 0.58 -0.13 0.00 7.12 -0.43 -0.40 115.31 123.19 2ksd h LEU 31 Ca 0.39 -0.41 0.03 0.00 0.13 0.00 0.00 57.88 58.02 2ksd h LEU 31 Cb 0.10 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.04 2ksd h LEU 31 CO -0.14 0.86 -0.07 0.58 -0.13 0.00 0.00 178.44 179.54 2ksd h VAL 32 N 0.29 0.78 -0.09 1.05 2.07 -0.28 0.39 116.25 120.47 2ksd h VAL 32 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2ksd h VAL 32 Cb 0.64 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2ksd h VAL 32 CO 0.04 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.13 2ksd h VAL 33 N -0.06 0.76 -0.42 2.57 2.07 -0.51 0.71 116.25 121.37 2ksd h VAL 33 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 2ksd h VAL 33 Cb 0.17 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2ksd h VAL 33 CO -0.17 0.00 0.09 0.25 0.02 0.00 0.00 177.57 177.76 2ksd h LEU 34 N -0.10 0.03 -0.07 2.57 7.12 -0.57 0.28 115.31 124.56 2ksd h LEU 34 Ca 0.06 0.07 0.03 0.00 0.13 0.00 0.00 57.88 58.17 2ksd h LEU 34 Cb 0.19 0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.38 2ksd h LEU 34 CO -0.15 0.05 -0.11 0.00 -0.13 0.00 0.00 178.44 178.10 2ksd h ALA 35 N 1.31 -0.06 -0.29 1.25 0.00 0.31 0.22 119.26 122.00 2ksd h ALA 35 Ca 0.20 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2ksd h ALA 35 Cb 0.24 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ksd h ALA 35 CO -0.26 -0.58 0.13 0.82 0.00 0.00 0.00 179.25 179.36 2ksd h ILE 36 N -0.15 0.96 -0.02 0.00 2.04 -0.27 0.25 117.51 120.33 2ksd h ILE 36 Ca 0.07 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2ksd h ILE 36 Cb 0.24 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2ksd h ILE 36 CO -0.16 0.05 -0.14 0.58 0.00 0.00 0.00 178.15 178.47 2ksd h VAL 37 N 0.27 0.65 -0.09 1.67 2.07 -0.01 0.30 116.25 121.12 2ksd h VAL 37 Ca 0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 2ksd h VAL 37 Cb 0.06 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2ksd h VAL 37 CO -0.10 0.00 0.03 0.58 0.02 0.00 0.00 177.57 178.10 2ksd h VAL 38 N -0.23 0.99 -0.57 2.57 2.07 -0.30 0.25 116.25 121.04 2ksd h VAL 38 Ca 0.05 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2ksd h VAL 38 Cb 0.30 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 2ksd h VAL 38 CO -0.15 0.01 0.25 -0.61 0.02 0.00 0.00 177.57 177.10 2ksd h GLN 39 N 0.08 0.46 0.24 1.57 4.15 -0.20 0.25 115.11 121.66 2ksd h GLN 39 Ca 0.03 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2ksd h GLN 39 Cb 0.01 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2ksd h GLN 39 CO -0.03 0.30 -0.11 1.98 -1.93 0.00 0.00 178.83 179.04 2ksd h MET 40 N 0.47 -0.31 -0.00 1.69 4.05 -0.05 -0.57 114.93 120.21 2ksd h MET 40 Ca 0.27 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.74 2ksd h MET 40 Cb 0.25 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.08 2ksd h MET 40 CO -0.23 -0.05 -0.25 0.00 0.23 0.00 0.00 176.91 176.62 2ksd h ALA 41 N 0.16 -0.34 -0.58 0.39 0.00 -0.17 0.42 119.26 119.14 2ksd h ALA 41 Ca -0.03 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2ksd h ALA 41 Cb 0.40 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2ksd h ALA 41 CO 0.05 -0.75 0.25 0.28 0.00 0.00 0.00 179.25 179.08 2ksd h VAL 42 N -0.39 0.84 -0.64 0.00 2.07 -0.53 0.13 116.25 117.73 2ksd h VAL 42 Ca 0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2ksd h VAL 42 Cb 0.47 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2ksd h VAL 42 CO -0.22 0.08 0.41 0.74 0.02 0.00 0.00 177.57 178.60 2ksd h THR 43 N 0.45 1.17 -0.43 2.57 2.02 -0.37 0.27 112.91 118.59 2ksd h THR 43 Ca 0.28 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2ksd h THR 43 Cb 0.29 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2ksd h THR 43 CO -0.25 0.17 0.25 0.24 0.37 0.00 0.00 175.52 176.30 2ksd h MET 44 N 0.86 0.59 -0.17 6.66 2.86 0.97 -2.91 114.93 123.80 2ksd h MET 44 Ca 0.23 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2ksd h MET 44 Cb -0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2ksd h MET 44 CO -0.05 0.46 0.04 0.28 1.06 0.00 0.00 176.91 178.70 2ksd h VAL 45 N 0.56 1.20 -2.23 -2.22 2.07 -0.41 -3.42 116.25 111.81 2ksd h VAL 45 Ca 0.15 -0.64 -0.55 0.00 0.82 0.00 0.00 66.70 66.48 2ksd h VAL 45 Cb 0.03 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2ksd h VAL 45 CO -0.03 0.19 1.29 -0.11 0.02 0.00 0.00 177.57 178.94 2ksd n LEU 46 N -4.81 3.89 -3.64 2.57 7.94 0.91 -4.83 117.00 119.03 2ksd n LEU 46 Ca -0.05 0.73 -0.43 0.00 -1.11 0.00 0.00 56.01 55.15 2ksd n LEU 46 Cb 0.16 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.53 2ksd n LEU 46 CO 0.35 -0.04 2.04 1.41 -1.11 0.00 0.00 177.39 180.04 2ksd n HIS 47 N 8.52 1.71 0.00 1.96 8.25 -1.26 -4.53 115.22 129.86 2ksd n HIS 47 Ca 0.23 -1.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.02 2ksd n HIS 47 Cb 0.41 -1.64 0.00 0.00 1.12 0.00 0.00 29.99 29.88 2ksd n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ksd n GLY 48 N 4.61 3.38 3.75 -1.41 0.00 -1.26 -5.14 105.19 109.11 2ksd n GLY 48 Ca 0.49 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2ksd n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ksd s GLN 49 N -1.94 2.68 -0.67 1.61 -1.52 -1.26 -4.84 119.66 113.72 2ksd s GLN 49 Ca 0.00 1.73 -0.13 0.00 -1.95 0.00 0.00 55.36 55.02 2ksd s GLN 49 Cb 0.00 -1.90 -0.11 0.00 -0.22 0.00 0.00 33.01 30.78 2ksd s GLN 49 CO 0.00 -1.41 1.86 1.33 -0.25 0.00 0.00 175.29 176.82 2ksd n VAL 50 N -2.08 1.70 -2.41 1.09 0.24 -1.26 -4.09 118.33 111.53 2ksd n VAL 50 Ca 0.13 -1.19 -0.17 0.00 -2.04 0.00 0.00 64.34 61.07 2ksd n VAL 50 Cb 0.50 -2.11 -0.00 0.00 -1.47 0.00 0.00 33.84 30.76 2ksd n VAL 50 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2ksd n GLU 51 N 5.61 -1.78 -3.27 7.34 0.00 -1.26 -4.98 120.64 122.30 2ksd n GLU 51 Ca 0.41 0.79 -0.06 0.00 0.00 0.00 0.00 57.16 58.29 2ksd n GLU 51 Cb 0.23 -5.21 -0.04 0.00 0.00 0.00 0.00 31.44 26.42 2ksd n GLU 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2ksd s SER 52 N -2.35 -0.09 0.04 4.31 1.04 -1.26 -5.03 113.70 110.37 2ksd s SER 52 Ca 0.04 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2ksd s SER 52 Cb -0.02 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.42 2ksd s SER 52 CO 0.05 -0.34 0.00 0.00 0.98 0.00 0.00 173.24 173.93 2ksd n ILE 53 N 5.34 0.44 -1.44 -1.02 0.13 -1.26 -4.74 119.36 116.80 2ksd n ILE 53 Ca 0.02 0.14 -0.05 0.00 -1.10 0.00 0.00 62.75 61.76 2ksd n ILE 53 Cb 0.50 -1.48 0.20 0.00 -0.84 0.00 0.00 39.64 38.03 2ksd n ILE 53 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 2ksd n ASP 54 N -3.17 2.54 -3.74 9.51 8.00 -1.26 -4.97 116.55 123.46 2ksd n ASP 54 Ca 0.00 -3.77 -0.12 0.00 0.71 0.00 0.00 54.79 51.61 2ksd n ASP 54 Cb 0.30 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.63 2ksd n ASP 54 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ksd s VAL 55 N -3.25 -0.03 -0.06 2.53 0.11 -1.26 -5.06 120.40 113.38 2ksd s VAL 55 Ca 0.45 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 59.34 2ksd s VAL 55 Cb 0.41 -0.39 -0.21 0.00 -1.53 0.00 0.00 36.38 34.65 2ksd s VAL 55 CO 0.00 0.04 1.07 0.40 -3.33 0.00 0.00 175.10 173.29 2ksd h ILE 56 N 5.50 1.44 -6.33 7.04 1.08 -1.98 -3.47 117.51 120.80 2ksd h ILE 56 Ca -0.36 -1.49 -0.47 0.00 -0.39 0.00 0.00 64.86 62.15 2ksd h ILE 56 Cb 1.17 2.43 -0.02 0.00 -3.07 0.00 0.00 36.82 37.33 2ksd h ILE 56 CO 0.36 0.38 -0.85 0.54 -0.69 0.00 0.00 178.15 177.89 2ksd n ARG 57 N -4.79 -4.15 -0.25 2.37 1.74 -1.26 -4.86 116.66 105.45 2ksd n ARG 57 Ca -0.09 0.51 -0.01 0.00 -0.77 0.00 0.00 57.85 57.49 2ksd n ARG 57 Cb 0.32 -4.91 0.06 0.00 -1.02 0.00 0.00 32.46 26.90 2ksd n ARG 57 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ksd h SER 58 N -1.85 -0.93 -0.98 0.55 0.87 -2.03 0.26 113.55 109.44 2ksd h SER 58 Ca -0.62 0.23 0.22 0.00 -1.23 0.00 0.00 61.79 60.40 2ksd h SER 58 Cb 1.37 0.53 -0.12 0.00 -0.44 0.00 0.00 62.40 63.74 2ksd h SER 58 CO 0.61 -0.27 0.57 0.40 -0.53 0.00 0.00 176.83 177.61 2ksd h ILE 59 N -0.06 0.60 -0.99 2.23 5.03 -2.04 0.11 117.51 122.39 2ksd h ILE 59 Ca 0.32 -0.22 0.21 0.00 -0.12 0.00 0.00 64.86 65.05 2ksd h ILE 59 Cb 0.56 -0.08 -0.10 0.00 -3.03 0.00 0.00 36.82 34.17 2ksd h ILE 59 CO -0.76 0.11 0.62 0.15 -0.68 0.00 0.00 178.15 177.59 2ksd h PHE 60 N 0.63 0.87 -1.07 1.37 3.57 -0.82 0.12 116.94 121.61 2ksd h PHE 60 Ca 0.60 0.03 0.29 0.00 3.53 0.00 0.00 57.97 62.42 2ksd h PHE 60 Cb 1.06 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 2ksd h PHE 60 CO -0.02 0.16 0.73 0.35 -2.23 0.00 0.00 178.31 177.30 2ksd h PHE 61 N 0.60 0.34 -1.02 0.41 3.57 -0.77 -0.34 116.94 119.73 2ksd h PHE 61 Ca 0.57 0.01 0.32 0.00 3.53 0.00 0.00 57.97 62.40 2ksd h PHE 61 Cb 1.12 -0.10 -0.14 0.00 2.79 0.00 0.00 35.95 39.62 2ksd h PHE 61 CO -0.00 0.03 0.60 0.78 -2.23 0.00 0.00 178.31 177.48 2ksd h GLY 62 N 0.20 1.97 0.62 2.40 0.00 -0.89 0.40 103.07 107.77 2ksd h GLY 62 Ca 0.56 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.73 2ksd h GLY 62 CO -0.16 -0.44 0.41 -2.00 0.00 0.00 0.00 176.54 174.36 2ksd h LEU 63 N 0.34 0.61 -1.94 3.11 5.85 -1.24 -0.12 115.31 121.91 2ksd h LEU 63 Ca 0.72 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.60 2ksd h LEU 63 Cb 1.67 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 2ksd h LEU 63 CO -0.56 0.38 0.46 -0.07 -0.34 0.00 0.00 178.44 178.31 2ksd h LEU 64 N 0.74 0.00 -1.36 2.25 4.07 -0.36 -1.51 115.31 119.14 2ksd h LEU 64 Ca 0.34 0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.51 2ksd h LEU 64 Cb 0.25 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.90 2ksd h LEU 64 CO -0.21 0.00 0.62 0.40 -1.08 0.00 0.00 178.44 178.18 2ksd h ILE 65 N 0.00 0.65 0.42 1.22 2.04 -1.03 0.26 117.51 121.08 2ksd h ILE 65 Ca 0.19 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2ksd h ILE 65 Cb 1.12 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2ksd h ILE 65 CO -0.00 0.09 -0.20 0.74 0.00 0.00 0.00 178.15 178.77 2ksd h THR 66 N 0.49 0.00 -0.92 -0.27 2.02 -1.45 0.38 112.91 113.16 2ksd h THR 66 Ca 0.53 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.66 2ksd h THR 66 Cb 1.19 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2ksd h THR 66 CO -0.25 0.00 0.61 1.55 0.37 0.00 0.00 175.52 177.79 2ksd h PRO 67 N -0.63 1.16 -0.11 6.66 0.13 -1.69 -1.11 132.00 136.42 2ksd h PRO 67 Ca -0.06 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2ksd h PRO 67 Cb 0.44 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 31.30 2ksd h PRO 67 CO 0.10 0.77 0.04 2.35 -0.23 0.00 0.00 178.00 181.03 2ksd h TRP 68 N 1.20 0.17 -0.38 1.56 2.91 -0.50 0.31 115.95 121.22 2ksd h TRP 68 Ca 0.35 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.39 2ksd h TRP 68 Cb -0.07 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 2ksd h TRP 68 CO -0.00 0.28 0.17 0.00 -1.03 0.00 0.00 178.44 177.87 2ksd h ALA 69 N 0.87 0.46 0.43 2.65 0.00 0.13 0.38 119.26 124.18 2ksd h ALA 69 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ksd h ALA 69 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ksd h ALA 69 CO -0.00 -0.20 -0.27 0.28 0.00 0.00 0.00 179.25 179.06 2ksd h VAL 70 N 0.36 0.44 -0.17 0.00 2.07 -1.06 0.33 116.25 118.22 2ksd h VAL 70 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.72 2ksd h VAL 70 Cb 0.09 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2ksd h VAL 70 CO -0.13 0.00 -0.04 1.88 0.02 0.00 0.00 177.57 179.30 2ksd h TYR 71 N -0.67 -0.09 -0.33 1.57 -1.99 -0.71 0.21 116.97 114.96 2ksd h TYR 71 Ca -0.05 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.73 2ksd h TYR 71 Cb 0.56 0.06 -0.04 0.00 2.00 0.00 0.00 36.73 39.31 2ksd h TYR 71 CO -0.10 -0.07 0.12 0.35 -0.00 0.00 0.00 178.16 178.46 2ksd h PHE 72 N 0.00 0.21 0.44 4.88 3.04 -0.10 0.35 116.94 125.75 2ksd h PHE 72 Ca 0.08 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 2ksd h PHE 72 Cb 0.12 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.59 2ksd h PHE 72 CO -0.20 0.09 -0.21 1.25 -2.02 0.00 0.00 178.31 177.23 2ksd h LEU 73 N 0.26 -0.50 0.10 0.59 6.46 0.06 0.49 115.31 122.77 2ksd h LEU 73 Ca 0.15 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2ksd h LEU 73 Cb 0.11 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 2ksd h LEU 73 CO -0.15 -0.27 -0.19 -1.28 -0.62 0.00 0.00 178.44 175.93 2ksd h SER 74 N -0.71 -0.54 -0.63 1.25 0.87 -0.46 0.17 113.55 113.51 2ksd h SER 74 Ca -0.06 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2ksd h SER 74 Cb 0.51 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 2ksd h SER 74 CO 0.10 -0.27 0.40 0.58 -0.53 0.00 0.00 176.83 177.10 2ksd h VAL 75 N -0.37 1.10 -0.65 2.23 2.07 -0.31 -1.30 116.25 119.02 2ksd h VAL 75 Ca 0.03 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.36 2ksd h VAL 75 Cb 0.39 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2ksd h VAL 75 CO -0.11 0.14 0.32 0.58 0.02 0.00 0.00 177.57 178.52 2ksd h VAL 76 N 0.79 0.87 -0.07 2.57 2.07 0.54 1.74 116.25 124.76 2ksd h VAL 76 Ca 0.25 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2ksd h VAL 76 Cb -0.01 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2ksd h VAL 76 CO -0.09 0.10 -0.17 0.58 0.02 0.00 0.00 177.57 178.01 2ksd h VAL 77 N 0.57 0.56 -0.41 2.57 2.07 0.34 1.81 116.25 123.77 2ksd h VAL 77 Ca 0.31 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.80 2ksd h VAL 77 Cb 0.30 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2ksd h VAL 77 CO -0.24 0.00 0.11 -0.08 0.02 0.00 0.00 177.57 177.38 2ksd h GLU 78 N -0.25 0.65 -0.84 1.57 4.57 -0.20 -2.86 114.58 117.23 2ksd h GLU 78 Ca 0.08 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2ksd h GLU 78 Cb 0.36 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 2ksd h GLU 78 CO -0.22 0.66 0.46 1.96 -1.18 0.00 0.00 179.01 180.69 2ksd h GLN 79 N 0.52 1.16 -0.71 1.92 4.20 0.33 0.19 115.11 122.72 2ksd h GLN 79 Ca 0.13 -0.13 0.12 0.00 0.06 0.00 0.00 58.65 58.83 2ksd h GLN 79 Cb 0.29 -0.23 -0.09 0.00 0.30 0.00 0.00 27.48 27.75 2ksd h GLN 79 CO -0.00 0.85 0.28 1.25 -0.67 0.00 0.00 178.83 180.54 2ksd h LEU 80 N 1.17 0.28 0.19 1.46 7.12 0.30 -2.31 115.31 123.53 2ksd h LEU 80 Ca 0.30 0.10 -0.27 0.00 0.13 0.00 0.00 57.88 58.13 2ksd h LEU 80 Cb 0.03 0.07 0.03 0.00 -0.53 0.00 0.00 40.66 40.26 2ksd h LEU 80 CO -0.05 0.13 -1.18 -0.33 -0.13 0.00 0.00 178.44 176.89 2ksd h GLU 81 N 0.45 0.45 0.00 1.25 5.08 -1.37 -3.40 114.58 117.04 2ksd h GLU 81 Ca 0.38 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2ksd h GLU 81 Cb 0.52 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2ksd h GLU 81 CO -0.36 1.35 0.00 -1.91 -1.00 0.00 0.00 179.01 177.09 2ksd n GLU 82 N -3.90 0.00 -4.05 2.33 0.00 0.61 -4.91 120.64 110.72 2ksd n GLU 82 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.73 2ksd n GLU 82 Cb 0.97 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.37 2ksd n GLU 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2ksd n SER 83 N -2.72 -0.33 0.01 4.31 7.64 -1.26 -4.89 113.62 116.39 2ksd n SER 83 Ca 0.00 -1.10 -0.01 0.00 1.01 0.00 0.00 58.87 58.77 2ksd n SER 83 Cb 0.00 -2.57 -0.00 0.00 -1.01 0.00 0.00 64.21 60.62 2ksd n SER 83 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2ksd n ARG 84 N -4.47 0.05 0.00 1.43 0.63 -1.26 -5.11 116.66 107.92 2ksd n ARG 84 Ca -0.30 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.65 2ksd n ARG 84 Cb 0.68 -0.41 0.00 0.00 0.45 0.00 0.00 32.46 33.18 2ksd n ARG 84 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ksd n GLN 85 N -3.13 0.00 0.00 -0.14 1.13 -1.26 -5.17 117.38 108.80 2ksd n GLN 85 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2ksd n GLN 85 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.40 2ksd n GLN 85 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2ksd n ARG 86 N -1.09 0.00 -0.01 -1.09 1.85 -1.26 -5.08 116.66 109.98 2ksd n ARG 86 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 2ksd n ARG 86 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2ksd n LEU 87 N 0.00 2.60 0.00 2.89 -0.00 -1.26 -5.05 117.00 116.18 2ksd n LEU 87 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2ksd n LEU 87 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2ksd n LEU 87 CO 0.00 0.47 0.00 -0.24 -0.00 0.00 0.00 177.39 177.62 2ksd n SER 88 N -2.65 -0.04 0.00 1.96 2.88 -1.26 -4.78 113.62 109.73 2ksd n SER 88 Ca -0.04 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2ksd n SER 88 Cb 0.54 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 2ksd n SER 88 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35