#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfk h SER 25 N 0.00 0.00 0.14 1.96 4.64 -2.04 -1.52 113.55 116.73 1sfk h SER 25 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1sfk h SER 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sfk h SER 25 CO 0.00 0.00 -0.07 0.25 -0.87 0.00 0.00 176.83 176.14 1sfk h LEU 26 N 0.00 -0.16 -0.77 5.97 5.85 -2.05 1.09 115.31 125.23 1sfk h LEU 26 Ca 0.00 -0.33 0.18 0.00 0.84 0.00 0.00 57.88 58.57 1sfk h LEU 26 Cb 0.28 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.22 1sfk h LEU 26 CO 0.00 0.27 0.08 0.74 -0.34 0.00 0.00 178.44 179.19 1sfk h THR 27 N -0.64 0.36 0.00 1.05 2.02 -1.88 -1.37 112.91 112.44 1sfk h THR 27 Ca -0.02 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1sfk h THR 27 Cb 0.48 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1sfk h THR 27 CO 0.03 0.03 -0.42 1.23 0.37 0.00 0.00 175.52 176.76 1sfk h GLY 28 N 0.15 0.00 0.35 2.16 0.00 -1.09 -2.68 103.07 101.97 1sfk h GLY 28 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 1sfk h GLY 28 CO -0.64 0.00 -0.17 -2.00 0.00 0.00 0.00 176.54 173.73 1sfk h LEU 29 N 0.00 -0.40 -0.95 3.11 6.46 0.23 -3.00 115.31 120.75 1sfk h LEU 29 Ca -0.00 0.01 0.29 0.00 -0.12 0.00 0.00 57.88 58.06 1sfk h LEU 29 Cb 0.86 0.10 -0.17 0.00 -0.73 0.00 0.00 40.66 40.73 1sfk h LEU 29 CO 0.05 -0.23 0.23 0.11 -0.62 0.00 0.00 178.44 177.99 1sfk h LYS 30 N -0.60 0.09 0.32 1.25 6.56 -1.42 0.11 116.57 122.88 1sfk h LYS 30 Ca -0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1sfk h LYS 30 Cb 0.37 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.98 1sfk h LYS 30 CO 0.08 0.06 -0.39 -0.09 -2.06 0.00 0.00 179.45 177.05 1sfk h ARG 31 N 0.09 -0.73 -0.92 3.15 2.43 -1.52 -0.47 114.38 116.42 1sfk h ARG 31 Ca 0.64 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 60.09 1sfk h ARG 31 Cb 1.42 0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.96 1sfk h ARG 31 CO -0.78 -0.48 -0.01 0.00 -1.51 0.00 0.00 179.97 177.18 1sfk h ALA 32 N -0.32 0.99 -0.39 2.80 0.00 -0.67 0.18 119.26 121.85 1sfk h ALA 32 Ca -0.02 0.32 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1sfk h ALA 32 Cb 0.70 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1sfk h ALA 32 CO -0.11 -0.50 -0.24 1.98 0.00 0.00 0.00 179.25 180.38 1sfk h MET 33 N 0.04 0.80 -0.12 0.00 1.85 -0.22 -0.97 114.93 116.32 1sfk h MET 33 Ca 0.53 -0.33 -0.12 0.00 -0.61 0.00 0.00 59.70 59.17 1sfk h MET 33 Cb 1.01 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.02 1sfk h MET 33 CO -0.86 0.96 -0.39 -0.07 -0.40 0.00 0.00 176.91 176.16 1sfk h LEU 34 N 0.69 0.54 -2.00 3.39 3.38 -0.62 -2.79 115.31 117.91 1sfk h LEU 34 Ca 0.09 -0.61 0.17 0.00 0.09 0.00 0.00 57.88 57.62 1sfk h LEU 34 Cb 0.77 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1sfk h LEU 34 CO 0.06 1.06 0.43 0.28 0.09 0.00 0.00 178.44 180.36 1sfk h SER 35 N 0.06 0.00 0.45 -0.43 0.02 -0.41 0.16 113.55 113.40 1sfk h SER 35 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1sfk h SER 35 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1sfk h SER 35 CO 0.08 0.00 -1.01 0.00 -1.14 0.00 0.00 176.83 174.76 1sfk n LEU 36 N -4.33 0.62 0.01 5.07 -0.00 -0.39 -4.08 117.00 113.90 1sfk n LEU 36 Ca 0.11 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.01 56.10 1sfk n LEU 36 Cb 0.67 -0.10 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 1sfk n LEU 36 CO 0.37 0.04 0.06 0.40 -0.00 0.00 0.00 177.39 178.26 1sfk h ILE 37 N 0.00 0.00 -3.28 1.47 2.04 -0.46 -3.43 117.51 113.84 1sfk h ILE 37 Ca 0.00 -0.42 -0.51 0.00 1.00 0.00 0.00 64.86 64.94 1sfk h ILE 37 Cb 0.73 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1sfk h ILE 37 CO 0.00 0.00 -0.07 1.51 0.00 0.00 0.00 178.15 179.59 1sfk s ASP 38 N -4.05 6.42 0.00 1.72 3.84 -0.25 -4.73 116.67 119.62 1sfk s ASP 38 Ca -0.01 0.78 0.01 0.00 -0.00 0.00 0.00 52.55 53.33 1sfk s ASP 38 Cb 0.00 -2.17 0.09 0.00 -1.38 0.00 0.00 42.92 39.45 1sfk s ASP 38 CO 0.03 -0.28 1.03 0.61 -0.00 0.00 0.00 175.17 176.55 1sfk n GLY 39 N -1.24 -0.97 3.15 2.12 0.00 -1.24 -4.19 105.19 102.81 1sfk n GLY 39 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1sfk n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfk n ARG 40 N -0.52 -0.26 0.00 1.61 1.74 -1.26 -4.87 116.66 113.10 1sfk n ARG 40 Ca 0.01 -2.07 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 1sfk n ARG 40 Cb 0.01 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1sfk n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfk n GLY 41 N -1.44 0.20 3.66 -0.13 0.00 -1.26 -4.38 105.19 101.84 1sfk n GLY 41 Ca 0.13 -2.04 -0.47 0.00 0.00 0.00 0.00 46.02 43.65 1sfk n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sfk n PRO 42 N -0.10 1.99 -0.25 1.61 -0.02 -1.26 -4.79 135.00 132.18 1sfk n PRO 42 Ca 0.00 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 1sfk n PRO 42 Cb 0.00 -2.45 0.06 0.00 -0.02 0.00 0.00 33.50 31.09 1sfk n PRO 42 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1sfk h THR 43 N 3.48 0.21 -0.18 3.45 2.02 -1.97 -1.28 112.91 118.64 1sfk h THR 43 Ca -0.45 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.57 1sfk h THR 43 Cb 1.27 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1sfk h THR 43 CO 0.85 0.00 -0.55 -0.09 0.37 0.00 0.00 175.52 176.11 1sfk h ARG 44 N -0.05 0.53 -0.19 6.66 2.43 -1.97 -1.76 114.38 120.03 1sfk h ARG 44 Ca 0.32 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1sfk h ARG 44 Cb 0.55 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1sfk h ARG 44 CO -0.75 0.94 0.09 0.35 -1.51 0.00 0.00 179.97 179.09 1sfk h PHE 45 N 0.41 0.17 -0.80 2.20 3.57 -1.68 0.72 116.94 121.54 1sfk h PHE 45 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1sfk h PHE 45 Cb 1.08 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1sfk h PHE 45 CO 0.04 0.10 0.48 0.28 -2.23 0.00 0.00 178.31 176.98 1sfk h VAL 46 N 0.20 1.22 -0.30 1.41 2.07 -1.10 0.16 116.25 119.91 1sfk h VAL 46 Ca 0.07 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1sfk h VAL 46 Cb 0.01 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1sfk h VAL 46 CO -0.05 0.24 0.10 -0.07 0.02 0.00 0.00 177.57 177.80 1sfk h LEU 47 N 1.09 0.44 -0.61 2.57 3.38 -1.12 -0.58 115.31 120.48 1sfk h LEU 47 Ca 0.29 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1sfk h LEU 47 Cb -0.03 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1sfk h LEU 47 CO -0.05 0.52 0.22 0.00 0.09 0.00 0.00 178.44 179.22 1sfk h ALA 48 N 0.93 0.79 -0.31 1.53 0.00 0.99 0.24 119.26 123.43 1sfk h ALA 48 Ca 0.10 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1sfk h ALA 48 Cb 0.24 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1sfk h ALA 48 CO -0.00 -0.21 0.07 1.25 0.00 0.00 0.00 179.25 180.35 1sfk h LEU 49 N 0.39 0.03 -0.26 0.00 5.85 -0.55 -0.50 115.31 120.27 1sfk h LEU 49 Ca 0.31 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.10 1sfk h LEU 49 Cb 0.41 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1sfk h LEU 49 CO -0.33 0.05 0.10 0.25 -0.34 0.00 0.00 178.44 178.18 1sfk h LEU 50 N 0.18 0.13 -0.57 2.25 6.46 -0.06 0.16 115.31 123.87 1sfk h LEU 50 Ca 0.14 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.00 1sfk h LEU 50 Cb 0.15 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.02 1sfk h LEU 50 CO -0.18 0.11 0.23 0.00 -0.62 0.00 0.00 178.44 177.98 1sfk h ALA 51 N 1.15 0.73 -0.34 1.25 0.00 -0.60 -1.41 119.26 120.03 1sfk h ALA 51 Ca 0.11 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1sfk h ALA 51 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1sfk h ALA 51 CO -0.10 -0.16 -0.12 0.35 0.00 0.00 0.00 179.25 179.22 1sfk h PHE 52 N 0.44 0.64 0.00 0.00 3.04 -0.43 0.27 116.94 120.90 1sfk h PHE 52 Ca 0.27 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1sfk h PHE 52 Cb 0.29 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1sfk h PHE 52 CO -0.15 0.69 0.00 0.74 -2.02 0.00 0.00 178.31 177.57 1sfk h PHE 53 N 0.54 0.00 0.08 0.41 0.05 0.09 -1.95 116.94 116.17 1sfk h PHE 53 Ca 0.10 0.00 -0.36 0.00 3.82 0.00 0.00 57.97 61.53 1sfk h PHE 53 Cb 0.53 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.45 1sfk h PHE 53 CO 0.02 0.00 -2.03 -2.13 -0.18 0.00 0.00 178.31 173.99 1sfk n ARG 54 N -2.79 0.71 0.26 1.51 0.63 -0.61 -2.36 116.66 114.01 1sfk n ARG 54 Ca 0.01 0.28 -0.16 0.00 -0.92 0.00 0.00 57.85 57.06 1sfk n ARG 54 Cb 0.29 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.45 1sfk n ARG 54 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1sfk h PHE 55 N -0.10 -0.98 -3.63 -0.14 0.05 -0.34 -3.37 116.94 108.42 1sfk h PHE 55 Ca -0.46 0.00 -0.51 0.00 3.82 0.00 0.00 57.97 60.82 1sfk h PHE 55 Cb 1.91 0.37 0.01 0.00 2.00 0.00 0.00 35.95 40.25 1sfk h PHE 55 CO 0.07 -0.53 0.49 0.99 -0.18 0.00 0.00 178.31 179.15 1sfk s THR 56 N -6.00 3.69 -1.22 -1.55 2.01 -0.75 -4.94 115.64 106.88 1sfk s THR 56 Ca -0.17 1.53 -0.08 0.00 0.31 0.00 0.00 61.69 63.27 1sfk s THR 56 Cb 0.05 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 1sfk s THR 56 CO 0.63 0.30 2.45 0.00 -0.69 0.00 0.00 174.62 177.30 1sfk n ALA 57 N 1.98 5.83 -2.88 7.40 0.00 -1.26 -4.54 120.51 127.05 1sfk n ALA 57 Ca 0.02 -2.74 -0.32 0.00 0.00 0.00 0.00 53.44 50.39 1sfk n ALA 57 Cb 0.45 -3.20 -0.15 0.00 0.00 0.00 0.00 19.45 16.55 1sfk n ALA 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sfk s ILE 58 N 2.98 2.63 -0.21 0.00 1.01 -1.00 -5.08 121.20 121.53 1sfk s ILE 58 Ca 0.53 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 1sfk s ILE 58 Cb 0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1sfk s ILE 58 CO -0.04 0.56 1.45 0.00 0.00 0.00 0.00 174.94 176.90 1sfk s ALA 59 N -0.02 3.44 0.66 9.38 0.00 -1.26 -4.45 121.76 129.51 1sfk s ALA 59 Ca -0.05 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 1sfk s ALA 59 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1sfk s ALA 59 CO 0.05 -1.63 1.14 -2.14 0.00 0.00 0.00 175.76 173.17 1sfk s PRO 60 N 4.15 2.68 0.44 0.00 0.02 -1.26 -4.97 135.00 136.06 1sfk s PRO 60 Ca 0.63 1.53 -0.25 0.00 0.02 0.00 0.00 61.00 62.93 1sfk s PRO 60 Cb -0.23 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 1sfk s PRO 60 CO 0.24 -1.37 1.26 0.95 -0.33 0.00 0.00 177.00 177.75 1sfk s THR 61 N -2.16 2.73 0.33 0.99 -4.23 -1.26 -4.77 115.64 107.27 1sfk s THR 61 Ca 0.70 0.61 0.10 0.00 -1.18 0.00 0.00 61.69 61.92 1sfk s THR 61 Cb -0.23 -3.34 0.32 0.00 1.34 0.00 0.00 72.50 70.59 1sfk s THR 61 CO 0.41 0.05 1.73 -0.09 -0.54 0.00 0.00 174.62 176.18 1sfk h ARG 62 N 2.37 0.55 -0.13 3.99 2.43 -1.93 0.24 114.38 121.90 1sfk h ARG 62 Ca -0.50 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 1sfk h ARG 62 Cb 1.25 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1sfk h ARG 62 CO 0.61 0.36 -0.11 0.00 -1.51 0.00 0.00 179.97 179.32 1sfk h ALA 63 N 1.72 1.58 0.13 2.80 0.00 -1.85 0.35 119.26 123.98 1sfk h ALA 63 Ca 0.64 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 55.20 1sfk h ALA 63 Cb 1.25 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1sfk h ALA 63 CO -0.46 0.31 -0.77 0.28 0.00 0.00 0.00 179.25 178.60 1sfk h VAL 64 N 0.19 1.52 -0.64 0.00 2.07 -0.88 -3.14 116.25 115.36 1sfk h VAL 64 Ca 0.04 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.03 1sfk h VAL 64 Cb 0.32 3.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 1sfk h VAL 64 CO 0.02 0.71 0.37 -0.07 0.02 0.00 0.00 177.57 178.61 1sfk h LEU 65 N -0.42 0.78 -1.69 2.57 3.38 -0.88 -2.34 115.31 116.72 1sfk h LEU 65 Ca -0.14 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 57.88 1sfk h LEU 65 Cb 1.60 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.11 1sfk h LEU 65 CO 0.14 0.63 0.43 0.44 0.09 0.00 0.00 178.44 180.17 1sfk h ASP 66 N 0.87 0.30 0.25 -0.43 3.45 -0.37 -1.99 116.42 118.50 1sfk h ASP 66 Ca 0.23 0.01 -0.30 0.00 0.43 0.00 0.00 57.03 57.40 1sfk h ASP 66 Cb 0.01 -0.05 0.03 0.00 -0.56 0.00 0.00 39.33 38.76 1sfk h ASP 66 CO -0.04 0.17 -1.29 -0.09 -1.57 0.00 0.00 179.24 176.41 1sfk h ARG 67 N 0.33 0.54 0.00 3.56 9.65 -1.38 -3.21 114.38 123.87 1sfk h ARG 67 Ca 0.30 -0.79 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1sfk h ARG 67 Cb 0.73 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1sfk h ARG 67 CO -0.08 1.36 0.09 2.35 2.80 0.00 0.00 179.97 186.49 1sfk h TRP 68 N 0.21 0.00 0.00 2.20 2.91 -0.92 0.11 115.95 120.46 1sfk h TRP 68 Ca -0.19 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.83 1sfk h TRP 68 Cb 1.98 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.63 1sfk h TRP 68 CO 0.11 0.00 -0.67 0.54 -1.03 0.00 0.00 178.44 177.39 1sfk n ARG 69 N -2.84 0.09 -0.05 2.65 1.74 -1.17 -4.38 116.66 112.71 1sfk n ARG 69 Ca -0.02 0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.04 1sfk n ARG 69 Cb 0.15 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1sfk n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1sfk n SER 70 N -1.66 1.78 -4.64 0.55 3.41 0.27 -5.03 113.62 108.30 1sfk n SER 70 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1sfk n SER 70 Cb 0.37 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1sfk n SER 70 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1sfk n VAL 71 N -2.36 2.25 -1.83 -3.33 3.14 -0.60 -4.87 118.33 110.73 1sfk n VAL 71 Ca -0.17 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.29 1sfk n VAL 71 Cb 0.79 -1.28 -0.03 0.00 -1.06 0.00 0.00 33.84 32.26 1sfk n VAL 71 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1sfk s ASN 72 N -0.57 6.54 0.22 6.55 3.04 -1.26 -4.85 114.94 124.61 1sfk s ASN 72 Ca 0.60 2.52 -0.16 0.00 0.04 0.00 0.00 52.86 55.86 1sfk s ASN 72 Cb -0.58 -2.54 0.24 0.00 -1.54 0.00 0.00 41.25 36.82 1sfk s ASN 72 CO 0.59 -0.97 1.58 0.11 -3.04 0.00 0.00 177.10 175.36 1sfk h LYS 73 N 9.51 -0.05 0.15 0.43 1.57 -1.98 0.51 116.57 126.70 1sfk h LYS 73 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1sfk h LYS 73 Cb 1.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1sfk h LYS 73 CO 0.94 -0.04 -0.14 0.37 -0.57 0.00 0.00 179.45 180.02 1sfk h GLN 74 N -0.06 -0.30 -0.59 3.15 -0.00 -2.00 -0.94 115.11 114.38 1sfk h GLN 74 Ca 0.33 0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.93 1sfk h GLN 74 Cb 0.59 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.11 1sfk h GLN 74 CO -0.84 -0.20 0.12 1.15 0.00 0.00 0.00 178.83 179.06 1sfk h THR 75 N -0.31 1.25 -0.99 2.39 2.02 -1.71 -1.98 112.91 113.58 1sfk h THR 75 Ca 0.00 -0.94 0.06 0.00 0.77 0.00 0.00 66.41 66.30 1sfk h THR 75 Cb 0.29 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 1sfk h THR 75 CO -0.03 0.35 0.64 0.00 0.37 0.00 0.00 175.52 176.85 1sfk h ALA 76 N 1.02 1.35 -0.14 6.16 0.00 0.20 -2.03 119.26 125.82 1sfk h ALA 76 Ca 0.18 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1sfk h ALA 76 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sfk h ALA 76 CO 0.01 0.46 -0.19 1.98 0.00 0.00 0.00 179.25 181.51 1sfk h MET 77 N 1.18 0.38 -0.79 0.00 -1.53 -0.99 -2.22 114.93 110.96 1sfk h MET 77 Ca 0.42 -0.22 0.15 0.00 -3.44 0.00 0.00 59.70 56.61 1sfk h MET 77 Cb 0.12 0.02 -0.15 0.00 -0.55 0.00 0.00 31.60 31.04 1sfk h MET 77 CO -0.16 0.79 -0.22 -0.22 0.14 0.00 0.00 176.91 177.24 1sfk h LYS 78 N -0.01 -0.02 -0.01 0.39 3.64 -0.93 -0.74 116.57 118.90 1sfk h LYS 78 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1sfk h LYS 78 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1sfk h LYS 78 CO 0.04 -0.01 -0.04 0.45 -2.27 0.00 0.00 179.45 177.62 1sfk h HIS 79 N -0.02 0.07 -0.71 1.91 3.86 -1.32 -2.92 115.15 116.03 1sfk h HIS 79 Ca 0.37 -0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.68 1sfk h HIS 79 Cb 0.58 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.99 1sfk h HIS 79 CO -0.64 0.67 0.47 -0.07 0.86 0.00 0.00 177.93 179.22 1sfk h LEU 80 N -0.55 0.40 -0.71 2.43 3.38 -1.13 -0.81 115.31 118.32 1sfk h LEU 80 Ca -0.00 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1sfk h LEU 80 Cb 0.67 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1sfk h LEU 80 CO 0.01 0.22 -0.41 -0.07 0.09 0.00 0.00 178.44 178.27 1sfk h LEU 81 N 0.43 0.54 -0.07 1.67 3.38 -1.06 -1.65 115.31 118.55 1sfk h LEU 81 Ca 0.34 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1sfk h LEU 81 Cb 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1sfk h LEU 81 CO -0.11 0.89 -0.42 0.77 0.09 0.00 0.00 178.44 179.66 1sfk h SER 82 N 0.42 0.00 0.05 -0.43 4.64 -1.00 -2.08 113.55 115.14 1sfk h SER 82 Ca 0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1sfk h SER 82 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1sfk h SER 82 CO 0.08 0.42 -0.02 -0.26 -0.87 0.00 0.00 176.83 176.18 1sfk h PHE 83 N 0.00 -0.06 -0.87 4.77 0.04 -0.97 0.52 116.94 120.37 1sfk h PHE 83 Ca -0.00 -0.00 0.22 0.00 2.80 0.00 0.00 57.97 60.99 1sfk h PHE 83 Cb 1.30 0.02 -0.13 0.00 2.20 0.00 0.00 35.95 39.34 1sfk h PHE 83 CO 0.00 0.07 0.32 0.87 -0.60 0.00 0.00 178.31 178.97 1sfk h LYS 84 N -0.18 0.31 -0.39 1.51 1.57 -1.15 0.10 116.57 118.35 1sfk h LYS 84 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1sfk h LYS 84 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1sfk h LYS 84 CO 0.01 0.20 0.13 -0.22 -0.57 0.00 0.00 179.45 179.00 1sfk h LYS 85 N 0.32 0.60 -0.49 3.15 1.63 -0.71 -1.92 116.57 119.16 1sfk h LYS 85 Ca 0.55 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 60.19 1sfk h LYS 85 Cb 1.06 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 1sfk h LYS 85 CO -0.57 0.60 0.21 0.93 -3.45 0.00 0.00 179.45 177.17 1sfk h GLU 86 N 0.49 0.72 -0.94 1.90 4.39 0.14 -1.15 114.58 120.12 1sfk h GLU 86 Ca 0.13 -0.12 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1sfk h GLU 86 Cb 0.25 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 1sfk h GLU 86 CO -0.01 0.63 0.60 -0.07 -1.16 0.00 0.00 179.01 179.00 1sfk h LEU 87 N 0.65 0.81 -0.17 1.33 3.38 -0.81 -2.24 115.31 118.26 1sfk h LEU 87 Ca 0.16 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1sfk h LEU 87 Cb 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1sfk h LEU 87 CO -0.02 0.43 0.05 1.23 0.09 0.00 0.00 178.44 180.23 1sfk h GLY 88 N 0.87 0.20 2.00 0.83 0.00 -0.40 0.88 103.07 107.45 1sfk h GLY 88 Ca 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 1sfk h GLY 88 CO -0.22 0.02 -0.17 -0.91 0.00 0.00 0.00 176.54 175.25 1sfk h THR 89 N 0.13 0.93 -0.16 4.70 1.35 -0.95 0.26 112.91 119.16 1sfk h THR 89 Ca 0.07 -0.63 -0.22 0.00 -0.55 0.00 0.00 66.41 65.08 1sfk h THR 89 Cb 0.05 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1sfk h THR 89 CO -0.09 0.17 -0.77 -0.07 -0.25 0.00 0.00 175.52 174.52 1sfk h LEU 90 N 0.00 0.96 0.62 3.87 -0.00 -0.98 -2.58 115.31 117.20 1sfk h LEU 90 Ca -0.00 -0.62 -0.03 0.00 -0.00 0.00 0.00 57.88 57.23 1sfk h LEU 90 Cb 0.35 -0.28 0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1sfk h LEU 90 CO 0.02 1.42 -0.30 0.74 -0.00 0.00 0.00 178.44 180.33 1sfk h THR 91 N 0.56 0.00 -0.21 0.22 2.02 -0.02 -2.71 112.91 112.77 1sfk h THR 91 Ca -0.05 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 66.82 1sfk h THR 91 Cb 1.40 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1sfk h THR 91 CO 0.16 0.00 0.25 0.77 0.37 0.00 0.00 175.52 177.07 1sfk h SER 92 N -1.21 0.00 -0.17 4.18 4.64 -1.10 0.24 113.55 120.13 1sfk h SER 92 Ca -0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1sfk h SER 92 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1sfk h SER 92 CO 0.14 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.19 1sfk h ALA 93 N 1.70 0.22 0.00 5.18 0.00 -1.36 -2.91 119.26 122.09 1sfk h ALA 93 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sfk h ALA 93 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sfk h ALA 93 CO -0.00 -0.23 0.00 -0.89 0.00 0.00 0.00 179.25 178.12 1sfk n ILE 94 N -4.90 0.47 0.20 0.00 5.41 0.79 -3.25 119.36 118.08 1sfk n ILE 94 Ca -0.04 0.12 0.07 0.00 1.00 0.00 0.00 62.75 63.90 1sfk n ILE 94 Cb 0.08 -0.78 0.36 0.00 -0.71 0.00 0.00 39.64 38.59 1sfk n ILE 94 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1sfk h ASN 95 N 0.00 0.00 0.00 4.38 -1.24 -1.25 -3.51 115.58 113.95 1sfk h ASN 95 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1sfk h ASN 95 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1sfk h ASN 95 CO 0.00 0.31 0.00 -2.11 -1.29 0.00 0.00 177.43 174.34