#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 1.63 0.20 0.03 1.00 -1.26 -5.08 119.30 115.82 2ksd s MET 16 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 55.69 53.91 2ksd s MET 16 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 34.83 33.32 2ksd s MET 16 CO 0.00 0.20 0.00 1.63 0.00 0.00 0.00 175.02 176.85 2ksd n LYS 17 N -0.61 -1.27 -4.14 2.03 5.02 -1.26 -5.10 118.16 112.83 2ksd n LYS 17 Ca -0.06 1.01 -0.16 0.00 -2.02 0.00 0.00 58.31 57.08 2ksd n LYS 17 Cb 0.62 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.24 2ksd n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ksd s LEU 18 N -4.37 1.21 0.00 -0.35 1.43 -1.26 -5.05 118.68 110.29 2ksd s LEU 18 Ca 0.00 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 2ksd s LEU 18 Cb 0.00 1.25 0.00 0.00 0.03 0.00 0.00 46.19 47.47 2ksd s LEU 18 CO 0.00 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 175.94 2ksd n GLY 19 N -0.59 0.49 0.71 -3.19 0.00 -1.26 -4.93 105.19 96.42 2ksd n GLY 19 Ca 0.03 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.46 -0.40 -0.05 0.99 7.99 -1.26 -3.98 117.00 119.83 2ksd n LEU 20 Ca 0.00 0.91 -0.20 0.00 -0.01 0.00 0.00 56.01 56.71 2ksd n LEU 20 Cb 0.21 -2.25 -0.13 0.00 -0.11 0.00 0.00 43.42 41.13 2ksd n LEU 20 CO 0.00 -1.66 -1.01 1.33 -1.51 0.00 0.00 177.39 174.54 2ksd n VAL 21 N -3.09 1.67 0.00 4.08 0.24 -1.26 -4.76 118.33 115.21 2ksd n VAL 21 Ca -0.01 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2ksd n VAL 21 Cb 0.33 -1.59 0.00 0.00 -1.47 0.00 0.00 33.84 31.11 2ksd n VAL 21 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2ksd n ARG 22 N -3.39 0.00 0.27 7.34 1.85 -1.26 -4.86 116.66 116.60 2ksd n ARG 22 Ca -0.37 0.00 0.17 0.00 -1.00 0.00 0.00 57.85 56.66 2ksd n ARG 22 Cb 1.03 -0.07 0.92 0.00 -1.05 0.00 0.00 32.46 33.29 2ksd n ARG 22 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2ksd h PHE 23 N 0.00 0.00 -0.71 2.89 0.04 -1.91 -3.48 116.94 113.78 2ksd h PHE 23 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ksd h PHE 23 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2ksd h PHE 23 CO 0.00 0.00 0.00 0.45 -0.60 0.00 0.00 178.31 178.16 2ksd n SER 24 N -3.61 -2.13 -4.30 2.17 2.88 -1.26 -4.68 113.62 102.70 2ksd n SER 24 Ca -0.01 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2ksd n SER 24 Cb 0.22 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.55 2ksd n SER 24 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2ksd s MET 25 N 0.00 2.78 0.26 -1.46 -1.94 -1.26 -4.60 119.30 113.08 2ksd s MET 25 Ca 0.00 -1.07 -0.02 0.00 -1.71 0.00 0.00 55.69 52.89 2ksd s MET 25 Cb 0.00 -3.44 0.50 0.00 2.01 0.00 0.00 34.83 33.90 2ksd s MET 25 CO 0.00 -0.59 1.76 -0.07 -0.01 0.00 0.00 175.02 176.11 2ksd h LEU 26 N 8.23 0.48 -0.78 -0.03 -0.00 -1.98 -1.84 115.31 119.40 2ksd h LEU 26 Ca -0.26 0.09 0.17 0.00 -0.00 0.00 0.00 57.88 57.88 2ksd h LEU 26 Cb 1.10 0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 41.67 2ksd h LEU 26 CO 0.61 0.21 0.26 0.25 -0.00 0.00 0.00 178.44 179.76 2ksd h LEU 27 N 0.59 0.15 -1.58 1.67 5.85 -2.00 0.12 115.31 120.11 2ksd h LEU 27 Ca 0.44 0.14 0.22 0.00 0.84 0.00 0.00 57.88 59.52 2ksd h LEU 27 Cb 0.62 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2ksd h LEU 27 CO -0.36 0.01 0.61 0.00 -0.34 0.00 0.00 178.44 178.36 2ksd h ALA 28 N 1.62 2.32 -0.95 1.25 0.00 -1.74 0.64 119.26 122.40 2ksd h ALA 28 Ca 0.45 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.55 2ksd h ALA 28 Cb 0.76 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 2ksd h ALA 28 CO -0.49 -0.61 0.60 1.25 0.00 0.00 0.00 179.25 180.01 2ksd h LEU 29 N 0.33 0.62 -1.22 0.00 5.85 -0.84 0.31 115.31 120.36 2ksd h LEU 29 Ca 0.47 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.23 2ksd h LEU 29 Cb 1.28 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2ksd h LEU 29 CO -0.16 0.26 0.29 0.00 -0.34 0.00 0.00 178.44 178.49 2ksd h ALA 30 N 1.61 1.40 -0.00 1.25 0.00 -0.97 0.32 119.26 122.87 2ksd h ALA 30 Ca 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2ksd h ALA 30 Cb 0.95 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ksd h ALA 30 CO -0.26 0.48 -0.00 -0.07 0.00 0.00 0.00 179.25 179.40 2ksd h LEU 31 N 0.83 0.01 -0.18 0.00 -0.00 -0.51 0.78 115.31 116.24 2ksd h LEU 31 Ca 0.21 -0.44 0.03 0.00 -0.00 0.00 0.00 57.88 57.68 2ksd h LEU 31 Cb 0.08 -0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 2ksd h LEU 31 CO -0.03 0.45 0.00 0.58 -0.00 0.00 0.00 178.44 179.44 2ksd h VAL 32 N -0.43 0.88 0.10 1.22 2.07 -0.89 0.29 116.25 119.48 2ksd h VAL 32 Ca 0.00 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2ksd h VAL 32 Cb 0.44 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2ksd h VAL 32 CO 0.00 0.01 -0.17 0.58 0.02 0.00 0.00 177.57 178.01 2ksd h VAL 33 N 0.06 0.61 -0.48 2.57 2.07 -0.36 0.14 116.25 120.86 2ksd h VAL 33 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 2ksd h VAL 33 Cb 0.10 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 2ksd h VAL 33 CO -0.14 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.48 2ksd h LEU 34 N -0.33 0.02 -0.14 2.57 4.07 -0.47 0.32 115.31 121.35 2ksd h LEU 34 Ca 0.02 0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.10 2ksd h LEU 34 Cb 0.35 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 2ksd h LEU 34 CO -0.09 0.04 -0.10 0.00 -1.08 0.00 0.00 178.44 177.21 2ksd h ALA 35 N 1.37 0.01 -0.41 1.53 0.00 0.13 0.32 119.26 122.20 2ksd h ALA 35 Ca 0.24 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.25 2ksd h ALA 35 Cb 0.31 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2ksd h ALA 35 CO -0.31 -0.55 0.16 0.82 0.00 0.00 0.00 179.25 179.38 2ksd h ILE 36 N -0.11 0.91 -0.48 0.00 2.04 0.17 0.15 117.51 120.19 2ksd h ILE 36 Ca 0.09 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2ksd h ILE 36 Cb 0.24 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2ksd h ILE 36 CO -0.21 0.06 0.17 0.58 0.00 0.00 0.00 178.15 178.76 2ksd h VAL 37 N 0.34 0.85 -0.15 1.67 2.07 0.35 0.22 116.25 121.60 2ksd h VAL 37 Ca 0.18 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.60 2ksd h VAL 37 Cb 0.14 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2ksd h VAL 37 CO -0.17 0.06 0.04 0.58 0.02 0.00 0.00 177.57 178.11 2ksd h VAL 38 N 0.35 0.95 -0.71 2.57 2.07 0.50 0.31 116.25 122.29 2ksd h VAL 38 Ca 0.22 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.77 2ksd h VAL 38 Cb 0.22 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 2ksd h VAL 38 CO -0.22 0.02 0.40 1.56 0.02 0.00 0.00 177.57 179.35 2ksd h GLN 39 N 0.11 0.71 0.05 1.57 4.20 0.04 0.29 115.11 122.08 2ksd h GLN 39 Ca 0.06 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2ksd h GLN 39 Cb 0.05 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2ksd h GLN 39 CO -0.08 0.47 -0.02 0.52 -0.67 0.00 0.00 178.83 179.05 2ksd h MET 40 N 0.73 -0.06 -0.17 1.46 2.86 -0.03 -0.13 114.93 119.59 2ksd h MET 40 Ca 0.32 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.01 2ksd h MET 40 Cb 0.20 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2ksd h MET 40 CO -0.19 0.13 -0.10 0.00 1.06 0.00 0.00 176.91 177.81 2ksd h ALA 41 N 0.70 0.04 -0.57 6.32 0.00 0.12 0.32 119.26 126.19 2ksd h ALA 41 Ca -0.01 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2ksd h ALA 41 Cb 0.22 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2ksd h ALA 41 CO 0.01 -0.54 0.26 0.28 0.00 0.00 0.00 179.25 179.26 2ksd h VAL 42 N -0.09 0.87 -0.40 0.00 2.07 -0.36 0.23 116.25 118.57 2ksd h VAL 42 Ca 0.10 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2ksd h VAL 42 Cb 0.24 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2ksd h VAL 42 CO -0.23 0.09 0.21 0.74 0.02 0.00 0.00 177.57 178.39 2ksd h THR 43 N 0.48 0.99 0.05 2.57 2.02 -0.06 0.36 112.91 119.32 2ksd h THR 43 Ca 0.27 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.31 2ksd h THR 43 Cb 0.25 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2ksd h THR 43 CO -0.23 0.08 -0.07 0.24 0.37 0.00 0.00 175.52 175.91 2ksd h MET 44 N 0.42 -0.13 -0.70 6.66 2.86 0.76 0.43 114.93 125.23 2ksd h MET 44 Ca 0.17 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2ksd h MET 44 Cb 0.06 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 2ksd h MET 44 CO -0.11 -0.09 0.33 0.28 1.06 0.00 0.00 176.91 178.39 2ksd h VAL 45 N -0.14 1.23 0.03 -2.22 2.07 -0.29 -2.30 116.25 114.64 2ksd h VAL 45 Ca 0.01 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2ksd h VAL 45 Cb 0.14 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2ksd h VAL 45 CO -0.03 0.27 -0.01 0.25 0.02 0.00 0.00 177.57 178.07 2ksd h LEU 46 N 0.98 -0.03 0.00 2.57 6.46 -0.01 -3.45 115.31 121.82 2ksd h LEU 46 Ca 0.24 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2ksd h LEU 46 Cb 0.13 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2ksd h LEU 46 CO -0.03 0.29 -0.02 1.41 -0.62 0.00 0.00 178.44 179.47 2ksd n HIS 47 N -4.95 -1.81 0.00 1.25 8.25 0.13 -5.08 115.22 113.01 2ksd n HIS 47 Ca -0.08 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2ksd n HIS 47 Cb 0.18 0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 1.99 0.33 2.88 -1.41 0.00 -0.05 -4.89 105.19 104.03 2ksd n GLY 48 Ca 0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2ksd n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksd n GLN 49 N -0.45 2.20 -3.75 1.61 10.64 -1.26 -3.18 117.38 123.18 2ksd n GLN 49 Ca 0.00 -2.16 -0.16 0.00 -1.83 0.00 0.00 57.00 52.85 2ksd n GLN 49 Cb 0.00 -3.05 -0.16 0.00 -0.86 0.00 0.00 30.24 26.17 2ksd n GLN 49 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2ksd s VAL 50 N 4.02 -0.07 -1.29 -0.39 -7.23 -1.26 -5.06 120.40 109.13 2ksd s VAL 50 Ca 0.52 0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 60.77 2ksd s VAL 50 Cb 0.14 -0.10 0.06 0.00 0.56 0.00 0.00 36.38 37.04 2ksd s VAL 50 CO 0.01 0.11 1.76 -1.61 -0.31 0.00 0.00 175.10 175.06 2ksd s GLU 51 N 1.32 3.85 0.13 4.82 0.41 -1.26 -4.83 118.70 123.13 2ksd s GLU 51 Ca -0.06 -1.92 0.00 0.00 -0.41 0.00 0.00 54.97 52.58 2ksd s GLU 51 Cb -0.13 -5.51 0.00 0.00 -1.78 0.00 0.00 34.13 26.71 2ksd s GLU 51 CO -0.03 -2.42 0.00 0.43 -0.49 0.00 0.00 175.26 172.75 2ksd n SER 52 N 8.96 -2.20 -3.91 -0.19 7.64 -1.26 -4.94 113.62 117.72 2ksd n SER 52 Ca 0.49 0.29 -0.28 0.00 1.01 0.00 0.00 58.87 60.38 2ksd n SER 52 Cb 0.46 -1.22 -0.17 0.00 -1.01 0.00 0.00 64.21 62.28 2ksd n SER 52 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2ksd s ILE 53 N -2.51 1.11 -1.47 0.44 2.07 -1.26 -4.84 121.20 114.74 2ksd s ILE 53 Ca 0.00 -0.43 -0.03 0.00 -1.41 0.00 0.00 60.65 58.78 2ksd s ILE 53 Cb 0.00 -1.16 0.02 0.00 0.13 0.00 0.00 42.46 41.45 2ksd s ILE 53 CO 0.00 0.30 0.44 0.47 -1.91 0.00 0.00 174.94 174.24 2ksd n ASP 54 N 4.91 -0.67 -3.15 4.50 9.92 -1.26 -4.95 116.55 125.84 2ksd n ASP 54 Ca -0.13 -1.03 0.04 0.00 -0.53 0.00 0.00 54.79 53.14 2ksd n ASP 54 Cb 0.49 -2.88 -0.00 0.00 -0.64 0.00 0.00 41.12 38.09 2ksd n ASP 54 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ksd s VAL 55 N -3.90 -0.99 -1.31 2.53 0.11 -1.26 -5.06 120.40 110.52 2ksd s VAL 55 Ca 0.12 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 2ksd s VAL 55 Cb -0.06 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 2ksd s VAL 55 CO 0.90 0.00 2.37 0.00 -3.33 0.00 0.00 175.10 175.05 2ksd n ILE 56 N 5.42 3.28 -1.73 7.04 3.06 -1.26 -4.80 119.36 130.36 2ksd n ILE 56 Ca 0.04 -2.42 -0.40 0.00 -2.50 0.00 0.00 62.75 57.47 2ksd n ILE 56 Cb 0.54 -2.49 -0.01 0.00 0.54 0.00 0.00 39.64 38.21 2ksd n ILE 56 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2ksd n ARG 57 N 5.26 3.97 0.03 9.51 1.74 -1.26 -4.70 116.66 131.21 2ksd n ARG 57 Ca 0.58 -2.89 -0.01 0.00 -0.77 0.00 0.00 57.85 54.76 2ksd n ARG 57 Cb 0.31 -2.79 -0.01 0.00 -1.02 0.00 0.00 32.46 28.95 2ksd n ARG 57 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2ksd h SER 58 N 5.02 -0.06 -1.06 0.55 4.64 -2.02 -3.29 113.55 117.33 2ksd h SER 58 Ca 0.73 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 62.35 2ksd h SER 58 Cb 0.36 0.02 -0.12 0.00 -0.31 0.00 0.00 62.40 62.34 2ksd h SER 58 CO 1.66 -0.02 0.64 0.40 -0.87 0.00 0.00 176.83 178.64 2ksd h ILE 59 N -0.12 0.40 -1.14 0.95 5.03 -2.03 0.34 117.51 120.95 2ksd h ILE 59 Ca -0.01 -0.13 0.32 0.00 -0.12 0.00 0.00 64.86 64.92 2ksd h ILE 59 Cb 0.05 -0.01 -0.07 0.00 -3.03 0.00 0.00 36.82 33.77 2ksd h ILE 59 CO 0.01 0.07 0.79 0.15 -0.68 0.00 0.00 178.15 178.49 2ksd h PHE 60 N 0.38 0.24 -1.11 1.37 3.57 -1.92 0.16 116.94 119.63 2ksd h PHE 60 Ca 0.68 0.01 0.31 0.00 3.53 0.00 0.00 57.97 62.51 2ksd h PHE 60 Cb 1.64 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 40.25 2ksd h PHE 60 CO -0.01 0.01 0.78 0.35 -2.23 0.00 0.00 178.31 177.21 2ksd h PHE 61 N 0.14 0.20 -0.98 0.41 3.04 -0.39 -0.60 116.94 118.75 2ksd h PHE 61 Ca 0.58 0.01 0.31 0.00 3.98 0.00 0.00 57.97 62.85 2ksd h PHE 61 Cb 2.01 -0.06 -0.15 0.00 2.56 0.00 0.00 35.95 40.32 2ksd h PHE 61 CO -0.00 0.01 0.51 0.78 -2.02 0.00 0.00 178.31 177.59 2ksd h GLY 62 N 0.11 1.97 0.55 2.40 0.00 -0.87 0.49 103.07 107.72 2ksd h GLY 62 Ca 0.56 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.77 2ksd h GLY 62 CO -0.10 -0.49 0.29 -2.00 0.00 0.00 0.00 176.54 174.25 2ksd h LEU 63 N 0.29 0.38 -2.37 3.11 7.12 -1.32 0.15 115.31 122.66 2ksd h LEU 63 Ca 0.71 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.79 2ksd h LEU 63 Cb 1.62 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.73 2ksd h LEU 63 CO -0.63 0.24 0.05 -0.07 -0.13 0.00 0.00 178.44 177.90 2ksd h LEU 64 N 0.53 0.00 -2.00 2.25 4.07 -0.19 -1.06 115.31 118.92 2ksd h LEU 64 Ca 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 2ksd h LEU 64 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 2ksd h LEU 64 CO -0.23 0.00 -0.04 0.40 -1.08 0.00 0.00 178.44 177.48 2ksd h ILE 65 N 0.00 0.93 0.69 1.22 2.04 -0.42 -0.05 117.51 121.91 2ksd h ILE 65 Ca 0.02 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2ksd h ILE 65 Cb 0.12 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2ksd h ILE 65 CO -0.00 0.04 -0.33 0.74 0.00 0.00 0.00 178.15 178.60 2ksd h THR 66 N 0.00 0.00 -0.85 -0.27 2.02 -1.23 0.40 112.91 112.98 2ksd h THR 66 Ca -0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2ksd h THR 66 Cb 0.08 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.45 2ksd h THR 66 CO 0.01 0.00 0.41 1.55 0.37 0.00 0.00 175.52 177.86 2ksd h PRO 67 N -0.99 1.23 -0.11 6.66 0.13 -1.69 0.56 132.00 137.80 2ksd h PRO 67 Ca -0.09 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2ksd h PRO 67 Cb 0.71 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2ksd h PRO 67 CO 0.15 0.94 -0.01 -1.49 -0.23 0.00 0.00 178.00 177.37 2ksd h TRP 68 N 1.22 -0.02 -0.17 1.56 4.06 -0.99 0.22 115.95 121.83 2ksd h TRP 68 Ca 0.29 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.24 2ksd h TRP 68 Cb 0.12 0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 2ksd h TRP 68 CO 0.02 -0.02 0.04 0.00 -3.56 0.00 0.00 178.44 174.92 2ksd h ALA 69 N 1.10 0.22 -0.22 1.49 0.00 0.06 0.35 119.26 122.26 2ksd h ALA 69 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ksd h ALA 69 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ksd h ALA 69 CO -0.09 -0.14 -0.01 0.28 0.00 0.00 0.00 179.25 179.29 2ksd h VAL 70 N 0.08 0.84 0.40 0.00 2.07 -0.67 0.38 116.25 119.35 2ksd h VAL 70 Ca 0.05 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2ksd h VAL 70 Cb 0.26 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2ksd h VAL 70 CO 0.00 0.01 -0.19 1.88 0.02 0.00 0.00 177.57 179.29 2ksd h TYR 71 N 0.06 -0.50 -0.53 1.57 0.05 -0.49 -1.07 116.97 116.06 2ksd h TYR 71 Ca 0.10 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.98 2ksd h TYR 71 Cb 0.13 0.16 -0.10 0.00 1.01 0.00 0.00 36.73 37.94 2ksd h TYR 71 CO -0.19 -0.19 -0.11 0.35 -1.05 0.00 0.00 178.16 176.97 2ksd h PHE 72 N -0.80 -0.24 -0.06 4.88 3.57 -0.15 0.33 116.94 124.48 2ksd h PHE 72 Ca -0.05 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2ksd h PHE 72 Cb 0.53 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2ksd h PHE 72 CO 0.01 -0.22 -0.02 1.25 -2.23 0.00 0.00 178.31 177.10 2ksd h LEU 73 N 0.02 -0.08 -0.26 0.59 7.12 -0.23 0.42 115.31 122.89 2ksd h LEU 73 Ca 0.26 0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.35 2ksd h LEU 73 Cb 0.40 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.52 2ksd h LEU 73 CO -0.53 -0.04 -0.11 0.28 -0.13 0.00 0.00 178.44 177.91 2ksd h SER 74 N -0.02 -0.36 -0.11 1.25 0.02 0.03 0.12 113.55 114.48 2ksd h SER 74 Ca 0.03 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2ksd h SER 74 Cb 0.07 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2ksd h SER 74 CO -0.07 -0.14 -0.04 0.58 -1.14 0.00 0.00 176.83 176.02 2ksd h VAL 75 N -0.06 0.85 -0.99 2.27 2.07 -0.00 -1.31 116.25 119.08 2ksd h VAL 75 Ca 0.13 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.86 2ksd h VAL 75 Cb 0.27 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 2ksd h VAL 75 CO -0.30 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.49 2ksd h VAL 76 N -0.03 0.66 0.16 2.57 2.07 0.69 2.62 116.25 124.99 2ksd h VAL 76 Ca 0.06 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2ksd h VAL 76 Cb 0.12 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2ksd h VAL 76 CO -0.13 0.11 -0.08 0.58 0.02 0.00 0.00 177.57 178.08 2ksd h VAL 77 N 0.61 0.98 0.16 2.57 2.07 0.05 -3.35 116.25 119.34 2ksd h VAL 77 Ca 0.56 -0.83 -0.31 0.00 0.82 0.00 0.00 66.70 66.95 2ksd h VAL 77 Cb 1.08 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2ksd h VAL 77 CO -0.33 0.19 -1.46 -0.33 0.02 0.00 0.00 177.57 175.66 2ksd h GLU 78 N -0.63 0.33 -3.89 1.57 3.07 -0.52 -3.39 114.58 111.12 2ksd h GLU 78 Ca -0.02 -0.56 -0.47 0.00 -0.50 0.00 0.00 59.36 57.81 2ksd h GLU 78 Cb 0.47 0.21 0.03 0.00 -0.84 0.00 0.00 28.75 28.62 2ksd h GLU 78 CO 0.04 1.23 2.40 0.94 -1.40 0.00 0.00 179.01 182.21 2ksd n GLN 79 N -3.54 1.73 -0.13 2.33 7.27 0.87 -4.29 117.38 121.63 2ksd n GLN 79 Ca -0.15 -1.56 -0.23 0.00 0.07 0.00 0.00 57.00 55.13 2ksd n GLN 79 Cb 1.05 -2.61 -0.11 0.00 2.41 0.00 0.00 30.24 30.98 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 5.59 2.50 -4.18 1.69 0.00 -1.26 -4.80 117.00 116.53 2ksd n LEU 80 Ca 0.44 0.10 -0.34 0.00 0.00 0.00 0.00 56.01 56.21 2ksd n LEU 80 Cb 0.23 -0.89 -0.14 0.00 0.00 0.00 0.00 43.42 42.63 2ksd n LEU 80 CO 0.83 0.76 -0.40 -0.70 0.00 0.00 0.00 177.39 177.89 2ksd s GLU 81 N -2.51 2.64 -0.01 1.96 2.12 -1.26 -5.10 118.70 116.53 2ksd s GLU 81 Ca -0.36 -1.11 0.05 0.00 0.36 0.00 0.00 54.97 53.91 2ksd s GLU 81 Cb 0.11 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 2ksd s GLU 81 CO 0.56 -0.49 -0.16 -2.00 -0.54 0.00 0.00 175.26 172.63 2ksd s GLU 82 N 1.28 1.35 -0.10 4.30 -6.30 -1.26 -4.95 118.70 113.01 2ksd s GLU 82 Ca -0.02 -0.58 0.04 0.00 -2.50 0.00 0.00 54.97 51.90 2ksd s GLU 82 Cb -0.18 -1.29 0.13 0.00 0.00 0.00 0.00 34.13 32.79 2ksd s GLU 82 CO -0.03 0.34 0.80 0.43 0.02 0.00 0.00 175.26 176.82 2ksd n SER 83 N 2.72 -0.54 0.00 -1.70 7.64 -1.26 -5.01 113.62 115.47 2ksd n SER 83 Ca -0.15 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.40 2ksd n SER 83 Cb 0.54 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 -0.48 0.00 0.00 1.43 0.00 -1.26 -5.05 116.66 111.30 2ksd n ARG 84 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2ksd n ARG 84 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 2ksd n ARG 84 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ksd n GLN 85 N 0.00 0.00 -0.23 -0.14 7.27 -1.26 -5.17 117.38 117.85 2ksd n GLN 85 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.10 2ksd n GLN 85 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 2ksd n GLN 85 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2ksd n ARG 86 N 0.00 -0.47 -4.34 3.69 5.12 -1.26 -4.98 116.66 114.42 2ksd n ARG 86 Ca 0.00 0.31 -0.19 0.00 -1.93 0.00 0.00 57.85 56.04 2ksd n ARG 86 Cb 0.00 -0.57 -0.09 0.00 -1.16 0.00 0.00 32.46 30.64 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2ksd s LEU 87 N 0.00 1.69 -0.26 0.55 2.34 -1.26 -5.10 118.68 116.64 2ksd s LEU 87 Ca 0.00 -1.54 -0.14 0.00 0.06 0.00 0.00 54.13 52.52 2ksd s LEU 87 Cb 0.00 0.15 -0.11 0.00 -0.56 0.00 0.00 46.19 45.67 2ksd s LEU 87 CO 0.00 -0.86 -0.34 -1.20 -1.06 0.00 0.00 176.35 172.89 2ksd n SER 88 N -0.88 1.86 0.00 1.48 7.64 -1.26 -4.67 113.62 117.79 2ksd n SER 88 Ca 0.01 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2ksd n SER 88 Cb 0.65 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2ksd n SER 88 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89