#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 2.83 -0.19 0.03 0.00 -1.26 -5.01 119.30 115.70 2ksd s MET 16 Ca 0.00 1.61 -0.17 0.00 0.00 0.00 0.00 55.69 57.12 2ksd s MET 16 Cb 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 34.83 32.83 2ksd s MET 16 CO 0.00 -1.27 -0.34 1.17 0.00 0.00 0.00 175.02 174.58 2ksd n LYS 17 N -2.05 0.53 0.02 3.16 3.00 -1.26 -4.79 118.16 116.78 2ksd n LYS 17 Ca 0.12 0.22 -0.06 0.00 -0.00 0.00 0.00 58.31 58.59 2ksd n LYS 17 Cb 0.51 -1.44 -0.05 0.00 0.00 0.00 0.00 35.03 34.05 2ksd n LYS 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2ksd h LEU 18 N -1.00 -0.14 -2.87 3.14 6.46 -1.98 -3.49 115.31 115.43 2ksd h LEU 18 Ca -0.06 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.43 2ksd h LEU 18 Cb 1.04 0.04 0.04 0.00 -0.73 0.00 0.00 40.66 41.04 2ksd h LEU 18 CO -0.03 0.44 -0.16 0.61 -0.62 0.00 0.00 178.44 178.67 2ksd n GLY 19 N 1.20 0.24 2.71 3.75 0.00 -1.26 -4.76 105.19 107.07 2ksd n GLY 19 Ca -0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2ksd n GLY 19 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ksd n LEU 20 N -1.77 2.81 0.16 0.99 -0.00 -1.25 -3.06 117.00 114.88 2ksd n LEU 20 Ca -0.01 -2.04 0.00 0.00 -0.00 0.00 0.00 56.01 53.95 2ksd n LEU 20 Cb 0.52 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2ksd n LEU 20 CO 0.14 -0.08 0.00 0.52 -0.00 0.00 0.00 177.39 177.97 2ksd n VAL 21 N 4.30 0.00 0.05 1.47 0.31 -1.26 -4.92 118.33 118.27 2ksd n VAL 21 Ca 0.25 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.46 2ksd n VAL 21 Cb 0.11 -0.32 -0.13 0.00 -0.91 0.00 0.00 33.84 32.59 2ksd n VAL 21 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2ksd h ARG 22 N 0.00 0.12 -4.08 5.55 2.47 -1.91 -3.47 114.38 113.06 2ksd h ARG 22 Ca 0.00 -0.20 -0.15 0.00 -1.26 0.00 0.00 59.98 58.37 2ksd h ARG 22 Cb 0.00 0.08 -0.18 0.00 -1.65 0.00 0.00 29.97 28.21 2ksd h ARG 22 CO 0.00 0.96 -0.68 0.12 0.56 0.00 0.00 179.97 180.93 2ksd s PHE 23 N -2.65 0.37 0.07 3.04 5.36 -1.18 -5.17 117.98 117.83 2ksd s PHE 23 Ca -0.04 -0.76 -0.06 0.00 -0.96 0.00 0.00 56.93 55.10 2ksd s PHE 23 Cb 0.08 -0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.51 2ksd s PHE 23 CO 0.84 -0.28 0.31 0.45 -1.46 0.00 0.00 175.22 175.07 2ksd n SER 24 N 0.91 -0.58 0.00 6.13 2.88 -1.26 -3.94 113.62 117.76 2ksd n SER 24 Ca -0.19 -1.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 2ksd n SER 24 Cb 0.58 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 2ksd n SER 24 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2ksd n MET 25 N -0.21 0.00 -0.22 -1.46 2.81 -1.26 -3.76 117.12 113.01 2ksd n MET 25 Ca -0.01 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.80 2ksd n MET 25 Cb 0.18 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.72 2ksd n MET 25 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2ksd h LEU 26 N 0.00 0.99 -1.65 4.03 -0.00 -1.96 -2.84 115.31 113.89 2ksd h LEU 26 Ca 0.00 -0.25 0.32 0.00 -0.00 0.00 0.00 57.88 57.95 2ksd h LEU 26 Cb 0.00 -0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 40.32 2ksd h LEU 26 CO 0.00 0.99 0.78 -0.07 -0.00 0.00 0.00 178.44 180.14 2ksd h LEU 27 N 0.95 0.23 -1.71 1.67 3.38 -1.93 0.19 115.31 118.09 2ksd h LEU 27 Ca 0.19 0.05 0.28 0.00 0.09 0.00 0.00 57.88 58.49 2ksd h LEU 27 Cb 0.41 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2ksd h LEU 27 CO 0.01 0.02 0.70 0.00 0.09 0.00 0.00 178.44 179.26 2ksd h ALA 28 N 1.52 2.62 -0.94 1.53 0.00 -1.83 0.31 119.26 122.46 2ksd h ALA 28 Ca 0.61 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.77 2ksd h ALA 28 Cb 1.99 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.70 2ksd h ALA 28 CO -0.18 -0.95 0.47 1.25 0.00 0.00 0.00 179.25 179.83 2ksd h LEU 29 N 0.19 0.45 -0.79 0.00 5.85 -0.83 0.46 115.31 120.66 2ksd h LEU 29 Ca 0.53 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.46 2ksd h LEU 29 Cb 1.71 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.79 2ksd h LEU 29 CO -0.13 0.02 0.47 0.00 -0.34 0.00 0.00 178.44 178.45 2ksd h ALA 30 N 1.73 1.08 -0.52 1.25 0.00 -1.13 0.24 119.26 121.91 2ksd h ALA 30 Ca 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.41 2ksd h ALA 30 Cb 1.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2ksd h ALA 30 CO -0.52 0.18 -0.10 1.25 0.00 0.00 0.00 179.25 180.06 2ksd h LEU 31 N 0.85 0.99 0.03 0.00 6.46 -0.29 0.50 115.31 123.85 2ksd h LEU 31 Ca 0.35 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2ksd h LEU 31 Cb 0.19 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2ksd h LEU 31 CO -0.18 1.11 -0.08 0.58 -0.62 0.00 0.00 178.44 179.25 2ksd h VAL 32 N 0.85 0.81 -0.12 1.05 2.07 0.22 0.32 116.25 121.45 2ksd h VAL 32 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2ksd h VAL 32 Cb 0.66 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2ksd h VAL 32 CO 0.05 0.00 0.02 0.58 0.02 0.00 0.00 177.57 178.24 2ksd h VAL 33 N -0.15 0.95 -0.49 2.57 2.07 -0.45 -0.99 116.25 119.76 2ksd h VAL 33 Ca 0.02 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2ksd h VAL 33 Cb 0.17 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2ksd h VAL 33 CO -0.06 0.01 0.09 -0.07 0.02 0.00 0.00 177.57 177.57 2ksd h LEU 34 N 0.08 -0.01 -0.39 2.57 3.38 -0.54 0.20 115.31 120.60 2ksd h LEU 34 Ca 0.05 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2ksd h LEU 34 Cb 0.05 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2ksd h LEU 34 CO -0.07 0.03 0.10 0.00 0.09 0.00 0.00 178.44 178.59 2ksd h ALA 35 N 1.38 0.44 -0.02 1.53 0.00 0.14 0.32 119.26 123.05 2ksd h ALA 35 Ca 0.25 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ksd h ALA 35 Cb 0.33 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ksd h ALA 35 CO -0.32 -0.30 0.01 0.82 0.00 0.00 0.00 179.25 179.46 2ksd h ILE 36 N 0.24 1.04 -0.07 0.00 1.08 -0.13 0.30 117.51 119.96 2ksd h ILE 36 Ca 0.18 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 2ksd h ILE 36 Cb 0.20 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2ksd h ILE 36 CO -0.22 0.03 -0.11 0.58 -0.69 0.00 0.00 178.15 177.74 2ksd h VAL 37 N -0.01 0.71 -0.37 1.67 2.07 -0.18 0.27 116.25 120.41 2ksd h VAL 37 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2ksd h VAL 37 Cb 0.04 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2ksd h VAL 37 CO -0.00 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.30 2ksd h VAL 38 N -0.15 0.90 -0.28 2.57 2.07 -0.21 0.09 116.25 121.23 2ksd h VAL 38 Ca 0.06 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2ksd h VAL 38 Cb 0.24 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 2ksd h VAL 38 CO -0.16 0.05 -0.04 -0.61 0.02 0.00 0.00 177.57 176.84 2ksd h GLN 39 N 0.29 0.04 -0.15 1.57 -0.00 0.22 0.23 115.11 117.31 2ksd h GLN 39 Ca 0.17 -0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.86 2ksd h GLN 39 Cb 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.56 2ksd h GLN 39 CO -0.17 0.03 -0.15 0.52 0.00 0.00 0.00 178.83 179.06 2ksd h MET 40 N 0.04 -0.17 -0.31 1.69 2.86 0.24 0.30 114.93 119.58 2ksd h MET 40 Ca 0.14 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.83 2ksd h MET 40 Cb 0.20 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 2ksd h MET 40 CO -0.26 -0.11 0.09 0.00 1.06 0.00 0.00 176.91 177.68 2ksd h ALA 41 N 0.91 0.34 -0.03 6.32 0.00 -0.39 0.28 119.26 126.69 2ksd h ALA 41 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2ksd h ALA 41 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2ksd h ALA 41 CO -0.26 -0.32 -0.06 0.28 0.00 0.00 0.00 179.25 178.90 2ksd h VAL 42 N 0.21 0.84 -0.75 0.00 2.07 0.05 0.26 116.25 118.94 2ksd h VAL 42 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2ksd h VAL 42 Cb 0.13 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2ksd h VAL 42 CO -0.16 0.00 0.47 0.74 0.02 0.00 0.00 177.57 178.64 2ksd h THR 43 N -0.09 1.20 -0.32 2.57 2.02 -0.06 0.44 112.91 118.68 2ksd h THR 43 Ca 0.03 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 2ksd h THR 43 Cb 0.13 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2ksd h THR 43 CO -0.08 0.20 -0.10 -0.03 0.37 0.00 0.00 175.52 175.88 2ksd h MET 44 N 1.02 0.64 0.08 6.66 4.05 -0.09 -3.33 114.93 123.95 2ksd h MET 44 Ca 0.27 -0.25 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 2ksd h MET 44 Cb -0.08 -0.03 0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2ksd h MET 44 CO -0.05 0.83 -0.67 0.28 0.23 0.00 0.00 176.91 177.52 2ksd h VAL 45 N 0.41 1.50 -0.24 -5.77 2.07 -0.32 -3.40 116.25 110.50 2ksd h VAL 45 Ca 0.08 -2.33 -0.47 0.00 0.82 0.00 0.00 66.70 64.80 2ksd h VAL 45 Cb 0.61 2.97 0.01 0.00 -1.52 0.00 0.00 31.29 33.36 2ksd h VAL 45 CO 0.04 0.66 1.58 -0.11 0.02 0.00 0.00 177.57 179.75 2ksd n LEU 46 N -4.20 3.36 -4.30 2.57 0.00 0.15 -4.88 117.00 109.70 2ksd n LEU 46 Ca -0.12 -2.96 -0.21 0.00 0.00 0.00 0.00 56.01 52.71 2ksd n LEU 46 Cb 0.74 -1.42 -0.11 0.00 0.00 0.00 0.00 43.42 42.62 2ksd n LEU 46 CO 0.47 -1.27 -0.48 -2.28 0.00 0.00 0.00 177.39 173.83 2ksd s HIS 47 N 8.49 1.70 0.20 1.96 2.46 -1.26 -4.87 115.29 123.97 2ksd s HIS 47 Ca 0.64 -0.48 0.00 0.00 0.47 0.00 0.00 55.06 55.69 2ksd s HIS 47 Cb 0.06 -0.87 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 2ksd s HIS 47 CO 0.14 0.26 0.00 0.41 -2.47 0.00 0.00 174.74 173.08 2ksd n GLY 48 N 0.49 -1.83 1.03 1.59 0.00 -1.26 -5.09 105.19 100.12 2ksd n GLY 48 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2ksd n GLY 48 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ksd n GLN 49 N -2.87 0.00 -3.77 1.61 6.02 -1.26 -5.11 117.38 112.00 2ksd n GLN 49 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 2ksd n GLN 49 Cb 0.00 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.09 2ksd n GLN 49 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2ksd s VAL 50 N -0.78 -0.03 0.26 5.09 -7.23 -1.26 -5.15 120.40 111.30 2ksd s VAL 50 Ca 0.00 0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 60.42 2ksd s VAL 50 Cb 0.00 -0.14 -0.03 0.00 0.56 0.00 0.00 36.38 36.78 2ksd s VAL 50 CO 0.00 0.13 0.27 -1.83 -0.31 0.00 0.00 175.10 173.35 2ksd s GLU 51 N 1.37 1.50 3.15 4.82 4.04 -1.26 -5.12 118.70 127.20 2ksd s GLU 51 Ca -0.05 -1.70 0.00 0.00 0.04 0.00 0.00 54.97 53.25 2ksd s GLU 51 Cb -0.13 0.34 0.00 0.00 0.02 0.00 0.00 34.13 34.36 2ksd s GLU 51 CO -0.03 -0.55 0.00 0.45 -1.84 0.00 0.00 175.26 173.29 2ksd n SER 52 N -0.79 -2.36 -3.69 0.83 2.88 -1.26 -4.80 113.62 104.44 2ksd n SER 52 Ca 0.03 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.41 2ksd n SER 52 Cb 0.64 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.95 2ksd n SER 52 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ksd s ILE 53 N 0.00 -0.21 0.74 2.46 1.01 -1.26 -5.15 121.20 118.78 2ksd s ILE 53 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 2ksd s ILE 53 Cb 0.00 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.23 2ksd s ILE 53 CO 0.00 0.13 1.21 -0.62 0.00 0.00 0.00 174.94 175.66 2ksd s ASP 54 N 2.01 4.14 0.00 3.58 -1.08 -1.26 -3.95 116.67 120.11 2ksd s ASP 54 Ca -0.00 2.37 0.00 0.00 -0.52 0.00 0.00 52.55 54.40 2ksd s ASP 54 Cb -0.12 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2ksd s ASP 54 CO -0.06 -2.30 0.00 0.52 0.52 0.00 0.00 175.17 173.85 2ksd n VAL 55 N -2.75 0.00 -0.99 1.11 0.31 -1.26 -4.64 118.33 110.11 2ksd n VAL 55 Ca 0.14 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.16 2ksd n VAL 55 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 2ksd n VAL 55 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2ksd n ILE 56 N 0.00 2.70 -0.04 2.52 -5.35 -1.25 -4.60 119.36 113.34 2ksd n ILE 56 Ca 0.00 -1.79 -0.12 0.00 -0.27 0.00 0.00 62.75 60.57 2ksd n ILE 56 Cb 0.00 -2.29 -0.07 0.00 -1.74 0.00 0.00 39.64 35.55 2ksd n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2ksd h ARG 57 N 6.39 0.24 0.46 6.28 2.43 -1.82 -1.97 114.38 126.38 2ksd h ARG 57 Ca 0.55 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 2ksd h ARG 57 Cb 0.32 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2ksd h ARG 57 CO 1.64 0.52 -0.22 0.66 -1.51 0.00 0.00 179.97 181.06 2ksd h SER 58 N -0.06 -0.52 -1.06 -3.80 4.64 -1.95 -3.19 113.55 107.60 2ksd h SER 58 Ca 0.03 -0.07 0.30 0.00 -0.47 0.00 0.00 61.79 61.58 2ksd h SER 58 Cb 0.42 0.13 -0.12 0.00 -0.31 0.00 0.00 62.40 62.53 2ksd h SER 58 CO 0.01 -0.11 0.65 0.40 -0.87 0.00 0.00 176.83 176.91 2ksd h ILE 59 N -1.04 0.42 -1.09 0.95 5.03 -1.93 0.22 117.51 120.07 2ksd h ILE 59 Ca -0.06 -0.13 0.32 0.00 -0.12 0.00 0.00 64.86 64.87 2ksd h ILE 59 Cb 0.56 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.23 2ksd h ILE 59 CO 0.10 0.07 0.67 0.15 -0.68 0.00 0.00 178.15 178.46 2ksd h PHE 60 N 0.38 0.76 -1.06 1.37 3.04 -1.33 0.26 116.94 120.36 2ksd h PHE 60 Ca 0.67 0.03 0.31 0.00 3.98 0.00 0.00 57.97 62.96 2ksd h PHE 60 Cb 1.63 -0.21 -0.13 0.00 2.56 0.00 0.00 35.95 39.80 2ksd h PHE 60 CO -0.01 -0.08 0.64 0.35 -2.02 0.00 0.00 178.31 177.19 2ksd h PHE 61 N 0.32 0.83 -0.91 0.41 3.04 -0.69 0.99 116.94 120.92 2ksd h PHE 61 Ca 0.70 0.03 0.25 0.00 3.98 0.00 0.00 57.97 62.93 2ksd h PHE 61 Cb 1.79 -0.23 -0.14 0.00 2.56 0.00 0.00 35.95 39.94 2ksd h PHE 61 CO -0.01 -0.07 0.37 0.78 -2.02 0.00 0.00 178.31 177.36 2ksd h GLY 62 N 0.36 1.58 0.71 2.40 0.00 -0.66 0.52 103.07 107.97 2ksd h GLY 62 Ca 0.69 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.96 2ksd h GLY 62 CO -0.48 -0.35 0.47 -2.00 0.00 0.00 0.00 176.54 174.18 2ksd h LEU 63 N 0.31 0.73 -2.18 3.11 6.46 -0.97 0.60 115.31 123.37 2ksd h LEU 63 Ca 0.59 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 58.43 2ksd h LEU 63 Cb 1.21 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 2ksd h LEU 63 CO -0.60 0.47 0.19 0.25 -0.62 0.00 0.00 178.44 178.13 2ksd h LEU 64 N 0.86 0.00 -1.83 2.25 5.85 -0.05 -1.31 115.31 121.08 2ksd h LEU 64 Ca 0.35 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.22 2ksd h LEU 64 Cb 0.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2ksd h LEU 64 CO -0.18 0.00 0.44 0.40 -0.34 0.00 0.00 178.44 178.76 2ksd h ILE 65 N 0.00 0.75 0.15 4.05 2.04 -0.56 0.40 117.51 124.34 2ksd h ILE 65 Ca 0.09 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2ksd h ILE 65 Cb 0.47 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2ksd h ILE 65 CO -0.00 0.03 -0.07 0.74 0.00 0.00 0.00 178.15 178.84 2ksd h THR 66 N 0.16 0.00 -0.92 -0.27 2.02 -1.36 0.47 112.91 113.02 2ksd h THR 66 Ca 0.30 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.46 2ksd h THR 66 Cb 0.97 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 2ksd h THR 66 CO -0.05 0.00 0.60 1.55 0.37 0.00 0.00 175.52 177.99 2ksd h PRO 67 N -0.24 1.22 -0.28 6.66 0.13 -1.69 -1.48 132.00 136.32 2ksd h PRO 67 Ca -0.02 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2ksd h PRO 67 Cb 0.16 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 2ksd h PRO 67 CO 0.03 0.82 0.17 2.35 -0.23 0.00 0.00 178.00 181.14 2ksd h TRP 68 N 1.25 0.37 -0.45 1.56 7.01 -0.25 0.23 115.95 125.67 2ksd h TRP 68 Ca 0.34 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.35 2ksd h TRP 68 Cb -0.13 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 2ksd h TRP 68 CO 0.00 0.27 0.27 0.00 -2.79 0.00 0.00 178.44 176.19 2ksd h ALA 69 N 1.07 0.57 0.26 2.65 0.00 0.42 0.45 119.26 124.68 2ksd h ALA 69 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ksd h ALA 69 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ksd h ALA 69 CO -0.02 -0.04 -0.13 0.28 0.00 0.00 0.00 179.25 179.34 2ksd h VAL 70 N 0.54 0.76 0.16 0.00 2.07 -0.92 0.39 116.25 119.25 2ksd h VAL 70 Ca 0.18 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2ksd h VAL 70 Cb 0.00 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2ksd h VAL 70 CO -0.08 0.02 -0.14 1.88 0.02 0.00 0.00 177.57 179.27 2ksd h TYR 71 N -0.40 -0.37 0.20 1.57 0.05 -0.32 0.45 116.97 118.14 2ksd h TYR 71 Ca -0.04 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.75 2ksd h TYR 71 Cb 0.31 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2ksd h TYR 71 CO -0.04 -0.22 -0.26 0.35 -1.05 0.00 0.00 178.16 176.94 2ksd h PHE 72 N -0.32 -0.68 -0.40 4.88 3.57 -0.04 0.21 116.94 124.16 2ksd h PHE 72 Ca 0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 2ksd h PHE 72 Cb 0.30 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.23 2ksd h PHE 72 CO -0.12 -0.37 -0.23 1.25 -2.23 0.00 0.00 178.31 176.61 2ksd h LEU 73 N -0.51 -0.76 0.50 0.59 6.46 -0.07 0.44 115.31 121.96 2ksd h LEU 73 Ca 0.01 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2ksd h LEU 73 Cb 0.50 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2ksd h LEU 73 CO -0.09 -0.25 -0.37 -1.28 -0.62 0.00 0.00 178.44 175.82 2ksd h SER 74 N -0.16 -0.98 -0.91 1.25 0.87 -0.56 -0.40 113.55 112.67 2ksd h SER 74 Ca 0.19 0.07 0.16 0.00 -1.23 0.00 0.00 61.79 60.98 2ksd h SER 74 Cb 0.46 0.31 -0.10 0.00 -0.44 0.00 0.00 62.40 62.63 2ksd h SER 74 CO -0.49 -0.56 0.51 0.58 -0.53 0.00 0.00 176.83 176.34 2ksd h VAL 75 N -0.86 0.74 -0.22 2.23 2.07 0.01 0.18 116.25 120.41 2ksd h VAL 75 Ca -0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2ksd h VAL 75 Cb 0.73 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2ksd h VAL 75 CO 0.01 0.13 0.11 0.58 0.02 0.00 0.00 177.57 178.42 2ksd h VAL 76 N 0.70 1.12 -0.91 2.57 2.07 0.24 1.15 116.25 123.20 2ksd h VAL 76 Ca 0.50 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2ksd h VAL 76 Cb 0.70 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2ksd h VAL 76 CO -0.36 0.12 0.56 0.58 0.02 0.00 0.00 177.57 178.49 2ksd h VAL 77 N 0.23 1.25 -0.05 2.57 2.07 0.38 -2.89 116.25 119.82 2ksd h VAL 77 Ca 0.08 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 2ksd h VAL 77 Cb 0.09 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2ksd h VAL 77 CO -0.01 0.25 -0.48 -0.33 0.02 0.00 0.00 177.57 177.02 2ksd h GLU 78 N 1.25 0.41 -5.57 1.57 5.08 -0.31 -3.39 114.58 113.61 2ksd h GLU 78 Ca 0.33 -0.38 -0.39 0.00 -1.00 0.00 0.00 59.36 57.92 2ksd h GLU 78 Cb -0.07 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2ksd h GLU 78 CO -0.06 1.03 1.22 -1.14 -1.00 0.00 0.00 179.01 179.06 2ksd s GLN 79 N -3.44 2.76 -0.39 2.33 0.74 0.39 -4.90 119.66 117.15 2ksd s GLN 79 Ca -0.13 -1.20 -0.35 0.00 0.05 0.00 0.00 55.36 53.73 2ksd s GLN 79 Cb 0.04 -5.27 -0.15 0.00 1.10 0.00 0.00 33.01 28.73 2ksd s GLN 79 CO 0.81 -3.60 1.59 1.28 -0.55 0.00 0.00 175.29 174.81 2ksd n LEU 80 N 13.27 0.66 0.03 3.68 4.32 -1.26 -4.55 117.00 133.15 2ksd n LEU 80 Ca 0.45 0.61 0.00 0.00 -0.02 0.00 0.00 56.01 57.05 2ksd n LEU 80 Cb 0.47 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 2ksd n LEU 80 CO 0.68 -0.61 0.00 1.21 -1.22 0.00 0.00 177.39 177.45 2ksd n GLU 81 N 5.32 0.00 -3.93 3.23 2.13 -1.26 -5.01 120.64 121.12 2ksd n GLU 81 Ca 0.39 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.91 2ksd n GLU 81 Cb -0.03 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.70 2ksd n GLU 81 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2ksd n GLU 82 N -2.53 -5.23 0.00 5.31 -0.58 -1.26 -4.96 120.64 111.40 2ksd n GLU 82 Ca 0.00 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 2ksd n GLU 82 Cb 0.00 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 25.46 2ksd n GLU 82 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2ksd n SER 83 N -2.84 0.89 -2.94 1.62 2.88 -1.26 -5.07 113.62 106.89 2ksd n SER 83 Ca 0.01 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 2ksd n SER 83 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 3.65 -2.26 -1.46 0.63 -1.26 -4.66 116.66 111.30 2ksd n ARG 84 Ca 0.00 -4.54 -0.10 0.00 -0.92 0.00 0.00 57.85 52.29 2ksd n ARG 84 Cb 0.00 -2.29 0.01 0.00 0.45 0.00 0.00 32.46 30.63 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 -0.32 1.07 -0.63 -0.14 1.13 -1.26 -4.97 117.38 112.26 2ksd n GLN 85 Ca 0.40 -1.37 -0.14 0.00 -1.94 0.00 0.00 57.00 53.94 2ksd n GLN 85 Cb 0.42 0.08 -0.05 0.00 0.11 0.00 0.00 30.24 30.80 2ksd n GLN 85 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ksd n ARG 86 N -1.17 1.59 0.00 -1.09 5.12 -1.26 -2.72 116.66 117.13 2ksd n ARG 86 Ca 0.01 -1.02 0.00 0.00 -1.93 0.00 0.00 57.85 54.91 2ksd n ARG 86 Cb 0.25 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.42 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2ksd n LEU 87 N 3.55 0.00 -4.85 0.55 7.94 -1.26 -4.62 117.00 118.32 2ksd n LEU 87 Ca 0.34 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.95 2ksd n LEU 87 Cb 0.29 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.39 2ksd n LEU 87 CO 0.46 0.00 0.78 -0.44 -1.11 0.00 0.00 177.39 177.08 2ksd s SER 88 N 0.00 3.48 0.00 1.96 0.01 -1.10 -4.84 113.70 113.21 2ksd s SER 88 Ca 0.00 0.68 0.12 0.00 1.31 0.00 0.00 55.95 58.06 2ksd s SER 88 Cb 0.00 -1.05 0.72 0.00 0.21 0.00 0.00 66.02 65.91 2ksd s SER 88 CO 0.00 -2.54 1.15 -1.14 0.41 0.00 0.00 173.24 171.12