#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 1.54 -0.30 2.12 1.00 -1.26 -5.16 119.30 117.24 2ksd s MET 16 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 55.69 53.72 2ksd s MET 16 Cb 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 34.83 34.70 2ksd s MET 16 CO 0.00 -0.35 0.81 0.21 0.00 0.00 0.00 175.02 175.69 2ksd s LYS 17 N -3.92 0.43 -0.27 2.03 2.20 -1.26 -5.17 119.74 113.78 2ksd s LYS 17 Ca 0.36 1.00 -0.23 0.00 -0.36 0.00 0.00 55.97 56.74 2ksd s LYS 17 Cb 0.06 0.59 0.08 0.00 -1.51 0.00 0.00 37.83 37.06 2ksd s LYS 17 CO 0.15 -0.22 0.78 -0.51 -0.36 0.00 0.00 175.35 175.19 2ksd s LEU 18 N 2.72 -0.73 0.00 5.43 1.43 -1.26 -5.00 118.68 121.27 2ksd s LEU 18 Ca -0.00 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 2ksd s LEU 18 Cb -0.10 2.32 0.00 0.00 0.03 0.00 0.00 46.19 48.44 2ksd s LEU 18 CO -0.18 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.78 2ksd n GLY 19 N 2.99 0.52 7.00 -3.19 0.00 -1.26 -4.91 105.19 106.33 2ksd n GLY 19 Ca -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2ksd n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ksd n LEU 20 N -0.99 0.00 0.00 0.99 7.94 -1.26 -4.23 117.00 119.45 2ksd n LEU 20 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2ksd n LEU 20 Cb 0.46 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.41 2ksd n LEU 20 CO 0.00 -0.06 0.15 0.52 -1.11 0.00 0.00 177.39 176.89 2ksd n VAL 21 N 0.00 0.00 -3.66 1.96 0.31 -1.26 -4.94 118.33 110.73 2ksd n VAL 21 Ca 0.00 0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 65.00 2ksd n VAL 21 Cb 0.00 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.09 2ksd n VAL 21 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2ksd s ARG 22 N -1.53 0.27 -0.09 5.55 0.52 -1.26 -4.90 118.95 117.51 2ksd s ARG 22 Ca 0.00 0.94 -0.06 0.00 -0.52 0.00 0.00 55.73 56.09 2ksd s ARG 22 Cb 0.00 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.70 2ksd s ARG 22 CO 0.00 -0.26 0.12 1.19 0.02 0.00 0.00 175.30 176.37 2ksd n PHE 23 N 5.34 -2.65 -3.87 -0.53 3.72 -1.26 -5.11 117.46 113.09 2ksd n PHE 23 Ca -0.08 1.55 -0.02 0.00 -0.05 0.00 0.00 57.45 58.85 2ksd n PHE 23 Cb 0.50 -2.94 0.02 0.00 -0.94 0.00 0.00 39.48 36.11 2ksd n PHE 23 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2ksd n SER 24 N 1.00 -1.47 -3.48 4.37 3.41 -1.26 -5.04 113.62 111.15 2ksd n SER 24 Ca -0.21 -1.72 -0.22 0.00 -0.26 0.00 0.00 58.87 56.47 2ksd n SER 24 Cb 0.32 2.38 0.06 0.00 -0.26 0.00 0.00 64.21 66.71 2ksd n SER 24 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2ksd n MET 25 N -0.68 -2.54 -0.33 4.33 0.00 -1.26 -4.85 117.12 111.79 2ksd n MET 25 Ca -0.01 0.68 0.23 0.00 -0.00 0.00 0.00 57.70 58.61 2ksd n MET 25 Cb 0.52 -5.12 0.47 0.00 0.00 0.00 0.00 33.22 29.08 2ksd n MET 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2ksd h LEU 26 N -1.54 0.52 -0.98 -0.89 5.85 -1.96 0.04 115.31 116.34 2ksd h LEU 26 Ca -0.63 0.19 0.31 0.00 0.84 0.00 0.00 57.88 58.59 2ksd h LEU 26 Cb 1.34 0.13 -0.18 0.00 0.37 0.00 0.00 40.66 42.32 2ksd h LEU 26 CO 0.48 -0.12 0.20 0.25 -0.34 0.00 0.00 178.44 178.90 2ksd h LEU 27 N 0.34 -0.19 -0.67 2.25 5.85 -2.01 0.28 115.31 121.16 2ksd h LEU 27 Ca 0.73 0.27 0.14 0.00 0.84 0.00 0.00 57.88 59.86 2ksd h LEU 27 Cb 1.64 0.40 -0.12 0.00 0.37 0.00 0.00 40.66 42.95 2ksd h LEU 27 CO -0.60 -0.36 -0.10 0.00 -0.34 0.00 0.00 178.44 177.03 2ksd h ALA 28 N 1.97 0.54 -1.00 1.25 0.00 -1.32 0.49 119.26 121.18 2ksd h ALA 28 Ca 0.67 0.24 0.18 0.00 0.00 0.00 0.00 54.91 56.00 2ksd h ALA 28 Cb 1.53 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 19.67 2ksd h ALA 28 CO -0.85 -0.42 0.62 -0.07 0.00 0.00 0.00 179.25 178.52 2ksd h LEU 29 N 0.04 0.81 -1.03 0.00 4.07 -0.60 0.38 115.31 118.98 2ksd h LEU 29 Ca 0.34 0.08 -0.08 0.00 0.08 0.00 0.00 57.88 58.30 2ksd h LEU 29 Cb 0.54 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2ksd h LEU 29 CO -0.65 0.32 -0.17 0.00 -1.08 0.00 0.00 178.44 176.86 2ksd h ALA 30 N 1.62 1.19 -0.10 1.53 0.00 -0.07 0.21 119.26 123.64 2ksd h ALA 30 Ca 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2ksd h ALA 30 Cb 0.82 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ksd h ALA 30 CO -0.35 0.52 0.02 -0.07 0.00 0.00 0.00 179.25 179.37 2ksd h LEU 31 N 0.45 0.15 0.11 0.00 3.38 0.97 0.33 115.31 120.69 2ksd h LEU 31 Ca 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2ksd h LEU 31 Cb 0.56 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2ksd h LEU 31 CO 0.04 0.35 -0.05 0.58 0.09 0.00 0.00 178.44 179.44 2ksd h VAL 32 N -0.06 1.01 -0.25 1.22 2.07 -1.00 0.95 116.25 120.20 2ksd h VAL 32 Ca 0.03 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2ksd h VAL 32 Cb 0.26 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2ksd h VAL 32 CO 0.00 0.11 -0.08 0.58 0.02 0.00 0.00 177.57 178.21 2ksd h VAL 33 N -0.36 0.72 -0.14 2.57 2.07 -0.56 0.14 116.25 120.68 2ksd h VAL 33 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2ksd h VAL 33 Cb 0.30 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2ksd h VAL 33 CO 0.02 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.60 2ksd h LEU 34 N -0.02 0.08 -0.47 2.57 -0.00 -0.27 0.32 115.31 117.51 2ksd h LEU 34 Ca 0.12 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.10 2ksd h LEU 34 Cb 0.21 -0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.80 2ksd h LEU 34 CO -0.27 0.07 0.06 0.00 -0.00 0.00 0.00 178.44 178.30 2ksd h ALA 35 N 1.08 0.50 -0.11 1.53 0.00 -0.22 0.29 119.26 122.33 2ksd h ALA 35 Ca 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2ksd h ALA 35 Cb 0.02 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ksd h ALA 35 CO -0.05 -0.34 0.05 0.82 0.00 0.00 0.00 179.25 179.73 2ksd h ILE 36 N 0.19 1.11 -0.37 0.00 2.04 -0.28 -1.13 117.51 119.06 2ksd h ILE 36 Ca 0.24 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2ksd h ILE 36 Cb 0.33 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 2ksd h ILE 36 CO -0.34 0.09 -0.00 0.58 0.00 0.00 0.00 178.15 178.48 2ksd h VAL 37 N 0.06 0.72 0.22 1.67 2.07 0.47 0.25 116.25 121.70 2ksd h VAL 37 Ca 0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ksd h VAL 37 Cb 0.10 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2ksd h VAL 37 CO -0.01 0.02 -0.19 0.58 0.02 0.00 0.00 177.57 178.00 2ksd h VAL 38 N 0.10 0.59 -0.41 2.57 2.07 -0.27 0.38 116.25 121.28 2ksd h VAL 38 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 2ksd h VAL 38 Cb 0.26 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2ksd h VAL 38 CO -0.31 0.00 0.16 -0.61 0.02 0.00 0.00 177.57 176.83 2ksd h GLN 39 N -0.43 0.32 -0.13 1.57 4.15 -0.78 0.25 115.11 120.06 2ksd h GLN 39 Ca -0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2ksd h GLN 39 Cb 0.39 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2ksd h GLN 39 CO -0.02 0.21 0.07 0.52 -1.93 0.00 0.00 178.83 177.67 2ksd h MET 40 N 0.33 0.18 0.17 1.69 2.86 -0.28 0.22 114.93 120.11 2ksd h MET 40 Ca 0.19 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2ksd h MET 40 Cb 0.16 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2ksd h MET 40 CO -0.18 0.22 -0.16 0.00 1.06 0.00 0.00 176.91 177.84 2ksd h ALA 41 N 0.96 -0.33 -0.29 6.32 0.00 0.13 0.21 119.26 126.27 2ksd h ALA 41 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2ksd h ALA 41 Cb 0.09 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2ksd h ALA 41 CO -0.01 -0.70 0.10 0.28 0.00 0.00 0.00 179.25 178.91 2ksd h VAL 42 N -0.36 0.92 -0.24 0.00 2.07 -0.43 0.24 116.25 118.45 2ksd h VAL 42 Ca -0.00 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2ksd h VAL 42 Cb 0.33 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2ksd h VAL 42 CO -0.03 0.04 -0.03 0.74 0.02 0.00 0.00 177.57 178.31 2ksd h THR 43 N 0.22 0.80 -0.17 2.57 2.02 -0.27 0.38 112.91 118.45 2ksd h THR 43 Ca 0.13 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.30 2ksd h THR 43 Cb 0.10 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2ksd h THR 43 CO -0.13 0.01 0.10 -0.03 0.37 0.00 0.00 175.52 175.84 2ksd h MET 44 N 0.04 0.21 -0.89 6.66 4.05 -0.13 -1.50 114.93 123.37 2ksd h MET 44 Ca 0.11 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 2ksd h MET 44 Cb 0.16 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 2ksd h MET 44 CO -0.22 0.14 0.58 0.28 0.23 0.00 0.00 176.91 177.92 2ksd h VAL 45 N 0.21 1.15 0.88 -5.77 2.07 -0.01 -3.04 116.25 111.73 2ksd h VAL 45 Ca 0.07 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2ksd h VAL 45 Cb -0.01 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.70 2ksd h VAL 45 CO -0.03 0.21 -0.42 0.25 0.02 0.00 0.00 177.57 177.60 2ksd h LEU 46 N 1.13 -1.00 -1.87 2.57 7.12 0.16 -3.50 115.31 119.92 2ksd h LEU 46 Ca 0.35 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.40 2ksd h LEU 46 Cb -0.00 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 2ksd h LEU 46 CO -0.12 -0.70 -0.70 1.41 -0.13 0.00 0.00 178.44 178.20 2ksd n HIS 47 N -5.59 -3.25 0.00 1.25 8.25 -0.60 -5.05 115.22 110.22 2ksd n HIS 47 Ca -0.16 1.93 0.00 0.00 -0.26 0.00 0.00 57.72 59.24 2ksd n HIS 47 Cb 0.47 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.34 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 1.23 -2.02 1.89 -1.41 0.00 -1.26 -5.07 105.19 98.56 2ksd n GLY 48 Ca -0.02 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 0.00 0.00 -4.05 1.61 1.13 -1.26 -5.15 117.38 109.67 2ksd n GLN 49 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 2ksd n GLN 49 Cb 0.00 -0.03 -0.10 0.00 0.11 0.00 0.00 30.24 30.22 2ksd n GLN 49 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2ksd s VAL 50 N -1.53 0.20 -0.02 5.09 -7.23 -1.26 -5.11 120.40 110.53 2ksd s VAL 50 Ca 0.00 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 2ksd s VAL 50 Cb 0.00 -0.99 -0.08 0.00 0.56 0.00 0.00 36.38 35.88 2ksd s VAL 50 CO 0.00 -0.78 2.02 -0.70 -0.31 0.00 0.00 175.10 175.34 2ksd s GLU 51 N -2.85 3.91 -0.30 4.82 -6.30 -1.26 -4.93 118.70 111.79 2ksd s GLU 51 Ca -0.03 2.47 -0.16 0.00 -2.50 0.00 0.00 54.97 54.75 2ksd s GLU 51 Cb 0.00 -4.21 0.18 0.00 0.00 0.00 0.00 34.13 30.10 2ksd s GLU 51 CO -0.06 -1.22 1.14 -1.12 0.02 0.00 0.00 175.26 174.02 2ksd s SER 52 N 5.32 -0.25 -0.21 -1.70 0.01 -1.26 -4.68 113.70 110.92 2ksd s SER 52 Ca 0.91 0.40 0.01 0.00 1.31 0.00 0.00 55.95 58.58 2ksd s SER 52 Cb -0.40 1.12 -0.20 0.00 0.21 0.00 0.00 66.02 66.75 2ksd s SER 52 CO 0.40 -0.06 -0.03 2.30 0.41 0.00 0.00 173.24 176.26 2ksd n ILE 53 N 3.46 1.56 0.00 1.44 -6.64 -1.26 -4.86 119.36 113.07 2ksd n ILE 53 Ca -0.17 -0.62 0.00 0.00 -1.77 0.00 0.00 62.75 60.19 2ksd n ILE 53 Cb 0.57 -1.43 0.00 0.00 -1.44 0.00 0.00 39.64 37.34 2ksd n ILE 53 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2ksd n ASP 54 N -3.28 0.00 -4.31 7.28 2.03 -1.26 -5.06 116.55 111.96 2ksd n ASP 54 Ca -0.41 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.61 2ksd n ASP 54 Cb 1.02 -0.34 -0.15 0.00 -0.72 0.00 0.00 41.12 40.93 2ksd n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ksd s VAL 55 N -0.90 1.99 -0.95 5.18 0.11 -1.26 -5.07 120.40 119.50 2ksd s VAL 55 Ca 0.00 -1.23 -0.24 0.00 -2.93 0.00 0.00 61.98 57.59 2ksd s VAL 55 Cb 0.00 -1.68 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2ksd s VAL 55 CO 0.00 0.41 1.69 0.27 -3.33 0.00 0.00 175.10 174.15 2ksd s ILE 56 N -0.71 3.68 -0.44 7.04 -4.36 -1.26 -4.81 121.20 120.34 2ksd s ILE 56 Ca 0.10 -0.54 0.06 0.00 -0.26 0.00 0.00 60.65 60.01 2ksd s ILE 56 Cb -0.10 -4.53 0.20 0.00 1.25 0.00 0.00 42.46 39.28 2ksd s ILE 56 CO 0.01 -1.45 0.53 -1.14 0.24 0.00 0.00 174.94 173.14 2ksd n ARG 57 N 8.89 0.44 0.06 0.37 0.63 -1.26 -5.01 116.66 120.79 2ksd n ARG 57 Ca 0.36 -2.74 -0.13 0.00 -0.92 0.00 0.00 57.85 54.42 2ksd n ARG 57 Cb 0.49 -1.51 -0.08 0.00 0.45 0.00 0.00 32.46 31.82 2ksd n ARG 57 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ksd h SER 58 N 4.96 -0.08 -1.01 6.15 0.87 -1.87 -2.82 113.55 119.75 2ksd h SER 58 Ca 0.13 -0.08 0.24 0.00 -1.23 0.00 0.00 61.79 60.84 2ksd h SER 58 Cb 0.97 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.84 2ksd h SER 58 CO 0.30 0.03 0.63 0.40 -0.53 0.00 0.00 176.83 177.66 2ksd h ILE 59 N -0.19 0.58 -1.00 2.23 2.04 -1.99 0.14 117.51 119.34 2ksd h ILE 59 Ca -0.01 -0.18 0.20 0.00 1.00 0.00 0.00 64.86 65.87 2ksd h ILE 59 Cb 0.16 -0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.13 2ksd h ILE 59 CO 0.02 0.10 0.60 0.15 0.00 0.00 0.00 178.15 179.01 2ksd h PHE 60 N 0.54 1.04 -0.98 1.37 3.57 -1.92 0.45 116.94 121.01 2ksd h PHE 60 Ca 0.59 0.03 0.32 0.00 3.53 0.00 0.00 57.97 62.45 2ksd h PHE 60 Cb 1.25 -0.31 -0.15 0.00 2.79 0.00 0.00 35.95 39.53 2ksd h PHE 60 CO -0.00 0.19 0.48 0.35 -2.23 0.00 0.00 178.31 177.10 2ksd h PHE 61 N 0.72 0.77 -0.73 0.41 3.04 -0.79 0.18 116.94 120.54 2ksd h PHE 61 Ca 0.59 0.04 0.16 0.00 3.98 0.00 0.00 57.97 62.74 2ksd h PHE 61 Cb 0.96 -0.18 -0.13 0.00 2.56 0.00 0.00 35.95 39.15 2ksd h PHE 61 CO -0.01 -0.23 -0.09 0.78 -2.02 0.00 0.00 178.31 176.73 2ksd h GLY 62 N 0.25 0.67 0.84 2.40 0.00 -1.04 0.53 103.07 106.72 2ksd h GLY 62 Ca 0.71 0.18 0.06 0.00 0.00 0.00 0.00 47.33 48.28 2ksd h GLY 62 CO -0.65 -0.28 0.60 -2.00 0.00 0.00 0.00 176.54 174.21 2ksd h LEU 63 N 0.05 0.93 -1.94 3.11 6.46 -0.79 0.13 115.31 123.25 2ksd h LEU 63 Ca 0.38 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.12 2ksd h LEU 63 Cb 0.62 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2ksd h LEU 63 CO -0.70 0.60 -0.09 0.25 -0.62 0.00 0.00 178.44 177.87 2ksd h LEU 64 N 1.05 0.00 -2.41 2.25 5.85 0.06 -1.25 115.31 120.86 2ksd h LEU 64 Ca 0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 2ksd h LEU 64 Cb 0.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2ksd h LEU 64 CO -0.15 0.09 -0.03 -0.29 -0.34 0.00 0.00 178.44 177.72 2ksd h ILE 65 N 0.00 0.26 0.42 4.05 6.09 0.40 -0.85 117.51 127.88 2ksd h ILE 65 Ca -0.00 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 63.27 2ksd h ILE 65 Cb 0.19 1.15 0.00 0.00 0.47 0.00 0.00 36.82 38.63 2ksd h ILE 65 CO 0.01 0.03 -0.20 0.74 -3.07 0.00 0.00 178.15 175.66 2ksd h THR 66 N 0.00 0.00 -0.78 2.19 2.02 -1.26 0.59 112.91 115.67 2ksd h THR 66 Ca -0.00 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2ksd h THR 66 Cb 0.15 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 2ksd h THR 66 CO 0.00 0.00 0.32 1.55 0.37 0.00 0.00 175.52 177.76 2ksd h PRO 67 N -0.66 1.16 -0.58 6.66 0.13 -1.70 -1.42 132.00 135.59 2ksd h PRO 67 Ca -0.06 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2ksd h PRO 67 Cb 0.43 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 2ksd h PRO 67 CO 0.10 0.94 0.33 2.35 -0.23 0.00 0.00 178.00 181.48 2ksd h TRP 68 N 1.14 0.79 -0.39 1.56 -0.00 -1.19 -0.08 115.95 117.78 2ksd h TRP 68 Ca 0.26 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.13 2ksd h TRP 68 Cb 0.20 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 2ksd h TRP 68 CO 0.02 0.56 0.19 0.00 -0.00 0.00 0.00 178.44 179.22 2ksd h ALA 69 N 1.15 0.50 -0.31 2.65 0.00 0.55 0.43 119.26 124.23 2ksd h ALA 69 Ca 0.21 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2ksd h ALA 69 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2ksd h ALA 69 CO -0.03 0.05 0.09 0.28 0.00 0.00 0.00 179.25 179.63 2ksd h VAL 70 N 0.49 0.90 0.15 0.00 2.07 -0.88 0.42 116.25 119.39 2ksd h VAL 70 Ca 0.13 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2ksd h VAL 70 Cb 0.10 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2ksd h VAL 70 CO -0.02 0.04 -0.07 1.88 0.02 0.00 0.00 177.57 179.42 2ksd h TYR 71 N 0.22 -0.18 -0.07 1.57 0.05 -0.72 -0.87 116.97 116.97 2ksd h TYR 71 Ca 0.14 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.94 2ksd h TYR 71 Cb 0.12 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 2ksd h TYR 71 CO -0.15 0.05 -0.09 0.35 -1.05 0.00 0.00 178.16 177.27 2ksd h PHE 72 N -0.39 -0.23 -0.53 4.88 3.57 0.08 0.32 116.94 124.64 2ksd h PHE 72 Ca -0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2ksd h PHE 72 Cb 0.31 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 2ksd h PHE 72 CO -0.01 -0.14 0.25 -0.07 -2.23 0.00 0.00 178.31 176.11 2ksd h LEU 73 N -0.13 0.33 0.05 0.59 -0.00 -0.16 0.37 115.31 116.37 2ksd h LEU 73 Ca 0.06 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 2ksd h LEU 73 Cb 0.21 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 2ksd h LEU 73 CO -0.14 0.22 -0.10 0.28 -0.00 0.00 0.00 178.44 178.70 2ksd h SER 74 N 0.47 -0.28 -0.76 -0.43 0.02 -0.61 -0.92 113.55 111.04 2ksd h SER 74 Ca 0.24 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.35 2ksd h SER 74 Cb 0.19 0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.75 2ksd h SER 74 CO -0.19 -0.15 0.35 0.58 -1.14 0.00 0.00 176.83 176.28 2ksd h VAL 75 N -0.20 0.74 -0.34 2.27 2.07 0.49 0.38 116.25 121.66 2ksd h VAL 75 Ca 0.02 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2ksd h VAL 75 Cb 0.22 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 2ksd h VAL 75 CO -0.06 0.10 0.04 0.58 0.02 0.00 0.00 177.57 178.25 2ksd h VAL 76 N 0.54 0.80 -0.61 2.57 2.07 0.55 1.77 116.25 123.95 2ksd h VAL 76 Ca 0.41 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.80 2ksd h VAL 76 Cb 0.55 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2ksd h VAL 76 CO -0.35 0.03 0.10 0.58 0.02 0.00 0.00 177.57 177.95 2ksd h VAL 77 N 0.15 1.25 -0.10 2.57 2.07 0.27 -3.10 116.25 119.36 2ksd h VAL 77 Ca 0.16 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 2ksd h VAL 77 Cb 0.20 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2ksd h VAL 77 CO -0.23 0.36 -0.15 -0.33 0.02 0.00 0.00 177.57 177.24 2ksd h GLU 78 N 0.93 0.28 -5.79 1.57 5.08 0.75 -3.40 114.58 114.01 2ksd h GLU 78 Ca 0.19 -0.16 -0.35 0.00 -1.00 0.00 0.00 59.36 58.04 2ksd h GLU 78 Cb 0.41 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2ksd h GLU 78 CO 0.01 0.73 0.88 -1.14 -1.00 0.00 0.00 179.01 178.49 2ksd s GLN 79 N -4.13 2.62 -0.33 2.33 -0.44 0.59 -4.91 119.66 115.40 2ksd s GLN 79 Ca -0.15 -0.17 -0.36 0.00 -2.50 0.00 0.00 55.36 52.18 2ksd s GLN 79 Cb 0.04 -4.95 -0.13 0.00 -1.64 0.00 0.00 33.01 26.34 2ksd s GLN 79 CO 0.74 -3.20 2.09 -0.11 0.50 0.00 0.00 175.29 175.32 2ksd n LEU 80 N 13.48 2.19 -3.01 3.68 7.94 -1.26 -4.80 117.00 135.22 2ksd n LEU 80 Ca 0.36 0.58 -0.25 0.00 -1.11 0.00 0.00 56.01 55.59 2ksd n LEU 80 Cb 0.48 -1.23 -0.04 0.00 0.53 0.00 0.00 43.42 43.16 2ksd n LEU 80 CO 0.62 -0.63 2.50 -1.84 -1.11 0.00 0.00 177.39 176.93 2ksd n GLU 81 N 7.59 2.51 0.00 1.96 0.00 -1.26 -4.08 120.64 127.36 2ksd n GLU 81 Ca 0.38 -1.56 0.00 0.00 0.00 0.00 0.00 57.16 55.98 2ksd n GLU 81 Cb 0.20 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.19 2ksd n GLU 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2ksd n GLU 82 N 3.67 0.00 -3.76 3.44 2.13 -1.26 -4.76 120.64 120.11 2ksd n GLU 82 Ca 0.53 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 58.00 2ksd n GLU 82 Cb 0.28 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.93 2ksd n GLU 82 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ksd s SER 83 N 0.94 6.51 0.32 4.31 0.15 -1.26 -4.98 113.70 119.69 2ksd s SER 83 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2ksd s SER 83 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2ksd s SER 83 CO 0.00 0.31 0.00 -1.14 1.20 0.00 0.00 173.24 173.61 2ksd n ARG 84 N 1.49 -0.59 -1.69 5.44 0.63 -1.26 -4.84 116.66 115.83 2ksd n ARG 84 Ca -0.14 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 2ksd n ARG 84 Cb 0.53 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.72 2ksd n ARG 84 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ksd n GLN 85 N -1.61 0.00 -1.63 -0.14 10.64 -1.26 -5.01 117.38 118.36 2ksd n GLN 85 Ca 0.00 0.00 -0.49 0.00 -1.83 0.00 0.00 57.00 54.68 2ksd n GLN 85 Cb 0.13 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.46 2ksd n GLN 85 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 2ksd n ARG 86 N 0.00 1.90 -2.71 2.61 -4.01 -1.26 -4.83 116.66 108.35 2ksd n ARG 86 Ca 0.00 0.66 -0.05 0.00 -1.04 0.00 0.00 57.85 57.42 2ksd n ARG 86 Cb 0.00 -2.64 0.08 0.00 -3.04 0.00 0.00 32.46 26.86 2ksd n ARG 86 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2ksd n LEU 87 N 7.69 -0.17 0.02 2.89 0.00 -1.26 -4.94 117.00 121.23 2ksd n LEU 87 Ca 0.27 -3.38 0.00 0.00 0.00 0.00 0.00 56.01 52.90 2ksd n LEU 87 Cb 0.29 0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.95 2ksd n LEU 87 CO 0.74 1.59 -0.28 -0.24 0.00 0.00 0.00 177.39 179.19 2ksd n SER 88 N -0.67 0.42 0.00 1.96 2.88 -1.26 -5.24 113.62 111.70 2ksd n SER 88 Ca -0.01 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2ksd n SER 88 Cb 0.84 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 2ksd n SER 88 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70