#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktw s LEU 3 N 0.00 3.13 0.61 1.04 1.02 -1.26 -4.93 118.68 118.29 3ktw s LEU 3 Ca 0.00 -0.14 0.27 0.00 0.02 0.00 0.00 54.13 54.29 3ktw s LEU 3 Cb 0.00 -1.73 1.39 0.00 0.02 0.00 0.00 46.19 45.88 3ktw s LEU 3 CO 0.00 0.22 1.80 0.03 0.02 0.00 0.00 176.35 178.42 3ktw h ARG 4 N 6.33 0.00 -0.06 1.70 3.08 -2.03 -1.11 114.38 122.28 3ktw h ARG 4 Ca -0.34 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.75 3ktw h ARG 4 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 3ktw h ARG 4 CO 0.59 0.00 -0.36 0.22 -1.07 0.00 0.00 179.97 179.35 3ktw h ASP 5 N 0.00 -1.11 0.00 7.04 3.58 -2.00 -1.16 116.42 122.77 3ktw h ASP 5 Ca 0.17 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.77 3ktw h ASP 5 Cb 1.25 0.45 0.00 0.00 1.72 0.00 0.00 39.33 42.75 3ktw h ASP 5 CO -0.00 -0.40 0.81 -0.07 -2.88 0.00 0.00 179.24 176.69 3ktw h LEU 6 N -0.48 0.00 -1.50 2.28 4.07 -1.49 1.37 115.31 119.56 3ktw h LEU 6 Ca 0.07 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.11 3ktw h LEU 6 Cb 0.59 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 3ktw h LEU 6 CO -0.33 0.00 0.44 0.11 -1.08 0.00 0.00 178.44 177.58 3ktw h LYS 7 N 0.00 0.57 0.14 1.13 1.57 -1.38 -0.86 116.57 117.74 3ktw h LYS 7 Ca 0.00 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.44 3ktw h LYS 7 Cb 1.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.80 3ktw h LYS 7 CO 0.00 0.38 -1.52 0.93 -0.57 0.00 0.00 179.45 178.67 3ktw h GLU 8 N 0.59 0.30 -0.27 3.15 3.07 0.17 -3.32 114.58 118.26 3ktw h GLU 8 Ca 0.29 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 3ktw h GLU 8 Cb 0.39 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3ktw h GLU 8 CO -0.09 1.18 0.00 0.39 -1.40 0.00 0.00 179.01 179.09 3ktw n GLU 9 N -3.50 1.04 -4.20 2.33 1.02 -0.71 -4.86 120.64 111.77 3ktw n GLU 9 Ca -0.16 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.61 3ktw n GLU 9 Cb 1.05 -1.14 -0.05 0.00 -0.02 0.00 0.00 31.44 31.27 3ktw n GLU 9 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3ktw n ASN 10 N -0.33 -0.68 -4.37 1.62 5.15 -0.64 -4.83 115.26 111.17 3ktw n ASN 10 Ca 0.01 -1.12 -0.31 0.00 -0.60 0.00 0.00 54.58 52.55 3ktw n ASN 10 Cb 0.08 -2.35 -0.14 0.00 -0.53 0.00 0.00 39.78 36.83 3ktw n ASN 10 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ktw s ARG 11 N -6.98 1.98 0.38 1.20 0.52 -0.42 -0.53 118.95 115.10 3ktw s ARG 11 Ca 0.25 -1.01 0.08 0.00 -0.52 0.00 0.00 55.73 54.53 3ktw s ARG 11 Cb -0.14 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.20 3ktw s ARG 11 CO 0.95 0.54 0.04 0.96 0.02 0.00 0.00 175.30 177.80 3ktw s ILE 12 N -0.79 2.26 -0.09 1.52 -4.36 0.16 -4.45 121.20 115.46 3ktw s ILE 12 Ca 0.12 -1.95 -0.00 0.00 -0.26 0.00 0.00 60.65 58.56 3ktw s ILE 12 Cb -0.10 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 3ktw s ILE 12 CO 0.02 -0.08 -0.05 0.68 0.24 0.00 0.00 174.94 175.75 3ktw s VAL 13 N -2.62 3.84 -0.20 8.37 -7.23 -1.26 -1.59 120.40 119.71 3ktw s VAL 13 Ca 0.36 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.10 3ktw s VAL 13 Cb 0.05 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.40 3ktw s VAL 13 CO 0.19 0.58 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.81 3ktw s ILE 14 N -0.63 2.68 -0.18 -0.62 1.01 0.29 -5.00 121.20 118.75 3ktw s ILE 14 Ca 0.10 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3ktw s ILE 14 Cb -0.12 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3ktw s ILE 14 CO 0.02 0.49 0.58 0.26 0.00 0.00 0.00 174.94 176.29 3ktw s TRP 15 N 1.36 3.41 0.29 3.97 0.52 -1.26 -2.27 118.94 124.95 3ktw s TRP 15 Ca 0.05 0.90 0.31 0.00 0.02 0.00 0.00 56.10 57.38 3ktw s TRP 15 Cb -0.14 -2.73 1.68 0.00 -1.15 0.00 0.00 33.47 31.14 3ktw s TRP 15 CO -0.08 -0.09 1.94 -1.00 0.02 0.00 0.00 176.95 177.73 3ktw h PRO 16 N 7.32 0.00 -0.86 4.98 0.13 -1.97 0.31 132.00 141.92 3ktw h PRO 16 Ca -0.34 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.87 3ktw h PRO 16 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 3ktw h PRO 16 CO 0.76 0.00 0.51 0.77 -0.23 0.00 0.00 178.00 179.81 3ktw h SER 17 N 0.00 0.77 -0.57 1.44 0.02 -1.94 0.30 113.55 113.56 3ktw h SER 17 Ca 0.00 0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.15 3ktw h SER 17 Cb 0.16 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3ktw h SER 17 CO 0.00 0.46 1.10 1.88 -1.14 0.00 0.00 176.83 179.13 3ktw h TYR 18 N 0.88 0.00 0.00 3.45 -1.99 -0.55 -2.14 116.97 116.63 3ktw h TYR 18 Ca 0.40 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.00 3ktw h TYR 18 Cb 0.30 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 3ktw h TYR 18 CO -0.04 0.00 -1.47 1.19 -0.00 0.00 0.00 178.16 177.84 3ktw n PHE 19 N -2.93 0.00 0.01 4.88 3.72 1.00 -2.13 117.46 122.00 3ktw n PHE 19 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3ktw n PHE 19 Cb 1.28 -0.33 -0.00 0.00 -0.94 0.00 0.00 39.48 39.48 3ktw n PHE 19 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3ktw n PHE 20 N -2.42 0.00 -1.39 1.38 3.72 -0.86 -4.64 117.46 113.25 3ktw n PHE 20 Ca -0.12 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 56.74 3ktw n PHE 20 Cb 0.70 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 39.17 3ktw n PHE 20 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ktw n SER 21 N -1.34 -0.28 0.05 4.37 2.88 -0.89 -4.68 113.62 113.73 3ktw n SER 21 Ca -0.00 1.09 0.14 0.00 -1.33 0.00 0.00 58.87 58.77 3ktw n SER 21 Cb 0.01 -0.88 0.62 0.00 -0.75 0.00 0.00 64.21 63.21 3ktw n SER 21 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3ktw h PRO 22 N 2.40 0.13 -4.46 -1.46 0.13 -1.95 -3.39 132.00 123.39 3ktw h PRO 22 Ca -0.43 -0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.34 3ktw h PRO 22 Cb 1.35 -0.03 -0.28 0.00 0.13 0.00 0.00 31.00 32.17 3ktw h PRO 22 CO 0.60 0.08 -0.76 -0.08 -0.23 0.00 0.00 178.00 177.61 3ktw s THR 23 N -5.15 0.52 0.25 1.56 -1.32 -1.26 -5.01 115.64 105.23 3ktw s THR 23 Ca -0.06 -0.30 -0.06 0.00 -1.21 0.00 0.00 61.69 60.06 3ktw s THR 23 Cb 0.19 -0.44 0.31 0.00 -1.51 0.00 0.00 72.50 71.04 3ktw s THR 23 CO 0.72 0.13 1.62 0.03 -2.21 0.00 0.00 174.62 174.91 3ktw h ARG 24 N 5.94 0.08 -0.34 7.08 2.47 -1.82 0.64 114.38 128.43 3ktw h ARG 24 Ca -0.29 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.48 3ktw h ARG 24 Cb 1.19 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 3ktw h ARG 24 CO 0.50 0.05 0.23 1.03 0.56 0.00 0.00 179.97 182.34 3ktw h SER 25 N 0.08 0.19 0.79 7.04 0.87 -1.95 -0.94 113.55 119.63 3ktw h SER 25 Ca 0.44 -0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.81 3ktw h SER 25 Cb 0.78 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 3ktw h SER 25 CO -0.72 0.13 -1.32 0.11 -0.53 0.00 0.00 176.83 174.49 3ktw h LYS 26 N 0.22 0.00 0.00 2.24 1.57 -1.31 -3.48 116.57 115.81 3ktw h LYS 26 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ktw h LYS 26 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3ktw h LYS 26 CO -0.03 0.42 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 3ktw n GLY 27 N 1.40 0.04 3.35 3.86 0.00 -0.36 -4.84 105.19 108.65 3ktw n GLY 27 Ca -0.09 -0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 3ktw n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktw n ARG 28 N 0.00 0.00 0.00 1.61 1.74 -1.14 -4.23 116.66 114.64 3ktw n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ktw n ARG 28 Cb 0.00 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3ktw n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ktw n ARG 29 N 1.10 0.53 -3.93 5.56 1.74 -0.91 -4.54 116.66 116.22 3ktw n ARG 29 Ca 0.16 -0.80 -0.09 0.00 -0.77 0.00 0.00 57.85 56.34 3ktw n ARG 29 Cb 0.30 -0.92 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 3ktw n ARG 29 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ktw s LEU 30 N -0.35 0.62 0.37 0.55 1.43 -1.26 -5.12 118.68 114.93 3ktw s LEU 30 Ca 0.00 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.17 3ktw s LEU 30 Cb 0.00 1.50 -0.09 0.00 0.03 0.00 0.00 46.19 47.64 3ktw s LEU 30 CO 0.00 -0.99 -0.18 0.00 0.23 0.00 0.00 176.35 175.41 3ktw n ALA 31 N -0.29 -2.91 -1.91 4.21 0.00 -1.26 -4.84 120.51 113.50 3ktw n ALA 31 Ca -0.06 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 3ktw n ALA 31 Cb 0.63 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 3ktw n ALA 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ktw s ARG 32 N -0.74 4.38 -0.35 0.00 3.52 -1.26 -5.04 118.95 119.46 3ktw s ARG 32 Ca 0.30 1.10 -0.03 0.00 -0.13 0.00 0.00 55.73 56.98 3ktw s ARG 32 Cb -0.24 -2.70 0.07 0.00 -1.56 0.00 0.00 34.95 30.53 3ktw s ARG 32 CO 0.41 0.26 0.10 -1.50 -0.81 0.00 0.00 175.30 173.75 3ktw s ILE 33 N -1.71 3.21 0.06 4.11 2.07 -1.26 -5.02 121.20 122.65 3ktw s ILE 33 Ca 0.50 -1.64 -0.11 0.00 -1.41 0.00 0.00 60.65 57.99 3ktw s ILE 33 Cb -0.16 -3.00 -0.02 0.00 0.13 0.00 0.00 42.46 39.41 3ktw s ILE 33 CO 0.21 -0.37 1.08 -2.65 -1.91 0.00 0.00 174.94 171.30 3ktw n PRO 34 N 4.63 -0.16 -1.11 3.50 -0.01 -1.26 -4.71 135.00 135.89 3ktw n PRO 34 Ca -0.08 1.07 -0.31 0.00 -0.01 0.00 0.00 63.50 64.16 3ktw n PRO 34 Cb 0.43 -1.58 0.11 0.00 -0.01 0.00 0.00 33.50 32.45 3ktw n PRO 34 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 175.50 176.20 3ktw s TYR 35 N -3.97 2.28 -0.10 6.00 2.02 -1.26 -5.00 117.35 117.31 3ktw s TYR 35 Ca -0.04 1.63 -0.20 0.00 -0.37 0.00 0.00 57.07 58.09 3ktw s TYR 35 Cb 0.04 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 3ktw s TYR 35 CO 0.22 -2.11 0.55 0.21 -1.57 0.00 0.00 175.55 172.85 3ktw s LYS 36 N -4.79 4.37 -0.13 -0.62 2.36 -1.26 -5.06 119.74 114.61 3ktw s LYS 36 Ca 0.63 0.59 0.00 0.00 -2.55 0.00 0.00 55.97 54.64 3ktw s LYS 36 Cb -0.19 -3.44 0.02 0.00 -1.05 0.00 0.00 37.83 33.17 3ktw s LYS 36 CO 0.56 0.12 -0.12 0.42 1.55 0.00 0.00 175.35 177.89 3ktw s ILE 37 N 0.69 1.34 0.62 5.43 1.01 -1.26 -5.12 121.20 123.92 3ktw s ILE 37 Ca 0.30 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 3ktw s ILE 37 Cb -0.16 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 3ktw s ILE 37 CO 0.13 0.42 1.12 -0.54 0.00 0.00 0.00 174.94 176.06 3ktw s LYS 38 N 1.50 3.01 0.02 2.79 1.02 -1.26 -4.92 119.74 121.89 3ktw s LYS 38 Ca 0.03 1.46 -0.25 0.00 0.02 0.00 0.00 55.97 57.24 3ktw s LYS 38 Cb -0.13 -1.97 -0.18 0.00 -0.52 0.00 0.00 37.83 35.03 3ktw s LYS 38 CO -0.09 -1.10 1.40 1.79 -0.92 0.00 0.00 175.35 176.44 3ktw h THR 39 N 0.45 1.10 -0.42 2.17 1.35 -1.99 -2.54 112.91 113.02 3ktw h THR 39 Ca -0.48 -0.68 0.04 0.00 -0.55 0.00 0.00 66.41 64.75 3ktw h THR 39 Cb 1.25 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 69.16 3ktw h THR 39 CO 0.55 0.17 -0.24 1.21 -0.25 0.00 0.00 175.52 176.96 3ktw n GLU 40 N -5.00 -0.17 -0.18 4.72 0.00 -1.26 0.47 120.64 119.22 3ktw n GLU 40 Ca -0.08 0.64 0.06 0.00 0.00 0.00 0.00 57.16 57.77 3ktw n GLU 40 Cb 0.19 -0.94 0.35 0.00 0.00 0.00 0.00 31.44 31.05 3ktw n GLU 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3ktw h GLU 41 N 0.00 0.74 0.51 5.31 4.81 -1.86 -2.73 114.58 121.36 3ktw h GLU 41 Ca 0.08 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3ktw h GLU 41 Cb 0.18 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.40 3ktw h GLU 41 CO -0.40 0.49 -0.25 1.25 -0.73 0.00 0.00 179.01 179.38 3ktw h LEU 42 N 0.76 -0.58 -0.92 1.64 5.85 1.08 -2.66 115.31 120.49 3ktw h LEU 42 Ca 0.31 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.14 3ktw h LEU 42 Cb 0.25 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.32 3ktw h LEU 42 CO -0.10 -0.40 -0.56 0.58 -0.34 0.00 0.00 178.44 177.62 3ktw h VAL 43 N -0.73 0.00 -1.34 1.05 2.07 -1.23 0.87 116.25 116.94 3ktw h VAL 43 Ca -0.07 0.00 0.45 0.00 0.82 0.00 0.00 66.70 67.90 3ktw h VAL 43 Cb 0.53 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 3ktw h VAL 43 CO 0.12 0.00 0.87 0.77 0.02 0.00 0.00 177.57 179.34 3ktw h SER 44 N -0.03 0.23 0.07 0.57 4.64 -1.46 1.43 113.55 118.99 3ktw h SER 44 Ca 0.15 0.14 -0.27 0.00 -0.47 0.00 0.00 61.79 61.34 3ktw h SER 44 Cb 0.41 0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3ktw h SER 44 CO -0.88 -0.20 -1.09 0.74 -0.87 0.00 0.00 176.83 174.53 3ktw h THR 45 N 0.06 1.30 -0.61 2.95 2.02 0.10 -0.87 112.91 117.88 3ktw h THR 45 Ca 0.84 -2.34 0.18 0.00 0.77 0.00 0.00 66.41 65.85 3ktw h THR 45 Cb 2.66 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 71.63 3ktw h THR 45 CO -0.43 0.71 0.46 -0.07 0.37 0.00 0.00 175.52 176.56 3ktw h LEU 46 N 0.26 0.00 0.00 2.58 3.38 0.39 -2.62 115.31 119.29 3ktw h LEU 46 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3ktw h LEU 46 Cb 1.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 3ktw h LEU 46 CO 0.21 0.00 -0.05 -0.09 0.09 0.00 0.00 178.44 178.60 3ktw h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.25 -2.59 114.38 115.10 3ktw h ARG 47 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3ktw h ARG 47 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3ktw h ARG 47 CO -0.00 0.72 0.18 0.39 -1.51 0.00 0.00 179.97 179.74 3ktw n GLU 48 N -4.65 0.00 -0.02 0.20 1.02 -0.36 0.28 120.64 117.11 3ktw n GLU 48 Ca -0.08 0.22 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 3ktw n GLU 48 Cb 0.35 -1.68 0.06 0.00 -0.02 0.00 0.00 31.44 30.16 3ktw n GLU 48 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ktw n LEU 49 N -1.17 2.14 -3.35 -4.62 4.77 -1.02 -5.00 117.00 108.75 3ktw n LEU 49 Ca 0.00 -1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 54.69 3ktw n LEU 49 Cb 0.18 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3ktw n LEU 49 CO 0.00 0.42 0.02 0.61 -1.33 0.00 0.00 177.39 177.11 3ktw n GLY 50 N 0.69 -1.13 0.00 -0.72 0.00 0.81 -4.92 105.19 99.91 3ktw n GLY 50 Ca 0.08 0.55 0.06 0.00 0.00 0.00 0.00 46.02 46.71 3ktw n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ktw n LEU 51 N -3.37 0.36 -2.54 0.99 4.77 -0.98 -4.97 117.00 111.27 3ktw n LEU 51 Ca -0.07 -0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 55.49 3ktw n LEU 51 Cb 0.61 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.74 3ktw n LEU 51 CO 0.61 0.09 0.03 -0.67 -1.33 0.00 0.00 177.39 176.11 3ktw n ASP 52 N -1.51 -4.31 -4.55 -1.43 2.03 -1.26 -0.70 116.55 104.82 3ktw n ASP 52 Ca 0.01 -0.42 -0.54 0.00 0.52 0.00 0.00 54.79 54.36 3ktw n ASP 52 Cb 0.23 -3.33 -0.06 0.00 -0.72 0.00 0.00 41.12 37.24 3ktw n ASP 52 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3ktw n PRO 53 N -2.60 0.68 -3.74 -0.67 -0.01 -1.26 -4.63 135.00 122.77 3ktw n PRO 53 Ca -0.07 0.24 -0.26 0.00 -0.01 0.00 0.00 63.50 63.41 3ktw n PRO 53 Cb 0.58 -1.80 -0.17 0.00 -0.01 0.00 0.00 33.50 32.10 3ktw n PRO 53 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 3ktw s ILE 54 N 0.19 0.46 -0.48 4.25 1.01 -1.21 -5.00 121.20 120.43 3ktw s ILE 54 Ca 0.85 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.94 3ktw s ILE 54 Cb -1.06 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 40.58 3ktw s ILE 54 CO 0.51 -0.06 0.89 -0.69 0.00 0.00 0.00 174.94 175.60 3ktw s VAL 55 N 1.91 4.50 0.32 2.92 1.01 -1.26 -1.15 120.40 128.65 3ktw s VAL 55 Ca 0.01 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 3ktw s VAL 55 Cb -0.15 -4.43 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 3ktw s VAL 55 CO -0.07 -0.86 0.80 -0.63 0.00 0.00 0.00 175.10 174.33 3ktw s ILE 56 N 3.68 4.55 0.27 2.22 1.01 0.41 -4.90 121.20 128.44 3ktw s ILE 56 Ca 0.34 1.23 0.03 0.00 0.00 0.00 0.00 60.65 62.25 3ktw s ILE 56 Cb -0.11 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 3ktw s ILE 56 CO 0.24 -0.08 0.03 -1.61 0.00 0.00 0.00 174.94 173.52 3ktw s GLU 57 N -2.67 1.47 -1.05 2.79 2.02 -1.26 -1.32 118.70 118.68 3ktw s GLU 57 Ca 0.52 -1.78 -0.03 0.00 0.02 0.00 0.00 54.97 53.70 3ktw s GLU 57 Cb -0.12 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.43 3ktw s GLU 57 CO 0.18 -0.15 0.89 -1.71 0.02 0.00 0.00 175.26 174.49 3ktw n ASN 58 N -0.53 -3.67 -3.68 -0.19 4.05 -0.82 -4.97 115.26 105.45 3ktw n ASN 58 Ca -0.03 -0.48 -0.14 0.00 0.45 0.00 0.00 54.58 54.38 3ktw n ASN 58 Cb 0.65 -4.28 -0.14 0.00 1.23 0.00 0.00 39.78 37.24 3ktw n ASN 58 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3ktw s LYS 59 N -5.56 0.13 -0.12 1.20 1.02 0.65 -5.06 119.74 112.01 3ktw s LYS 59 Ca 0.22 0.64 0.01 0.00 0.02 0.00 0.00 55.97 56.85 3ktw s LYS 59 Cb -0.10 -0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.09 3ktw s LYS 59 CO 0.60 -0.25 -0.14 -1.59 -0.92 0.00 0.00 175.35 173.04 3ktw s LYS 60 N 2.05 3.29 0.11 1.68 0.00 -1.24 -3.10 119.74 122.52 3ktw s LYS 60 Ca -0.02 -0.71 -0.34 0.00 0.00 0.00 0.00 55.97 54.91 3ktw s LYS 60 Cb -0.12 -2.58 -0.13 0.00 0.00 0.00 0.00 37.83 35.00 3ktw s LYS 60 CO -0.08 0.24 1.64 0.98 0.00 0.00 0.00 175.35 178.14 3ktw n TYR 61 N 3.43 2.29 0.13 1.78 9.36 -1.10 -4.86 117.16 128.20 3ktw n TYR 61 Ca -0.18 0.20 -0.00 0.00 3.32 0.00 0.00 57.90 61.24 3ktw n TYR 61 Cb 0.53 -2.57 0.27 0.00 -0.63 0.00 0.00 39.34 36.94 3ktw n TYR 61 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3ktw h PRO 62 N 6.64 0.12 0.00 2.98 0.11 -1.98 -0.49 132.00 139.38 3ktw h PRO 62 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ktw h PRO 62 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ktw h PRO 62 CO 0.90 0.52 0.00 0.54 -0.21 0.00 0.00 178.00 179.75 3ktw n ARG 63 N -4.03 0.05 -2.73 1.05 1.74 -1.26 -4.09 116.66 107.39 3ktw n ARG 63 Ca -0.02 0.21 -0.07 0.00 -0.77 0.00 0.00 57.85 57.20 3ktw n ARG 63 Cb 0.46 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 30.37 3ktw n ARG 63 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ktw n ASP 64 N -1.68 -2.60 -0.08 0.55 -0.08 -0.78 -4.97 116.55 106.90 3ktw n ASP 64 Ca 0.04 -2.94 0.00 0.00 -1.51 0.00 0.00 54.79 50.38 3ktw n ASP 64 Cb 0.25 1.59 0.00 0.00 2.34 0.00 0.00 41.12 45.30 3ktw n ASP 64 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3ktw n ARG 65 N 1.73 0.00 0.00 -0.67 3.00 -0.26 -2.07 116.66 118.38 3ktw n ARG 65 Ca 0.08 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.97 3ktw n ARG 65 Cb 0.64 -0.98 0.30 0.00 0.00 0.00 0.00 32.46 32.43 3ktw n ARG 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3ktw n LYS 66 N -0.24 0.84 -3.87 5.56 4.81 -1.26 -4.67 118.16 119.33 3ktw n LYS 66 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 3ktw n LYS 66 Cb 0.00 -1.19 -0.16 0.00 0.02 0.00 0.00 35.03 33.69 3ktw n LYS 66 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3ktw s ILE 67 N -2.00 1.02 -0.74 3.15 1.09 -0.88 -5.03 121.20 117.81 3ktw s ILE 67 Ca 0.15 -0.60 0.20 0.00 -1.10 0.00 0.00 60.65 59.30 3ktw s ILE 67 Cb 0.07 -1.23 -0.24 0.00 -1.06 0.00 0.00 42.46 39.99 3ktw s ILE 67 CO 0.12 0.09 0.77 -0.46 -0.10 0.00 0.00 174.94 175.35 3ktw n ASN 68 N 4.90 0.79 -4.66 3.58 0.23 -1.25 -2.72 115.26 116.13 3ktw n ASN 68 Ca -0.11 -0.75 -0.18 0.00 -0.53 0.00 0.00 54.58 53.00 3ktw n ASN 68 Cb 0.48 1.22 0.06 0.00 -2.08 0.00 0.00 39.78 39.45 3ktw n ASN 68 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 3ktw n PHE 69 N -1.64 -2.22 -3.59 -2.53 1.16 -1.18 -0.25 117.46 107.21 3ktw n PHE 69 Ca 0.02 -1.94 0.01 0.00 -1.87 0.00 0.00 57.45 53.67 3ktw n PHE 69 Cb 0.37 -0.49 -0.06 0.00 -1.61 0.00 0.00 39.48 37.68 3ktw n PHE 69 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3ktw s LEU 70 N 0.00 -0.26 -0.26 5.98 0.20 -0.44 -4.82 118.68 119.09 3ktw s LEU 70 Ca 0.53 0.40 -0.02 0.00 0.69 0.00 0.00 54.13 55.73 3ktw s LEU 70 Cb -0.04 1.36 0.03 0.00 -0.43 0.00 0.00 46.19 47.11 3ktw s LEU 70 CO 0.34 -0.06 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.66 3ktw s ILE 71 N 1.33 2.93 0.97 6.68 1.01 -0.96 0.16 121.20 133.31 3ktw s ILE 71 Ca -0.07 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.38 3ktw s ILE 71 Cb -0.03 -2.52 0.17 0.00 0.01 0.00 0.00 42.46 40.09 3ktw s ILE 71 CO -0.13 0.14 1.10 0.00 0.00 0.00 0.00 174.94 176.05 3ktw s ALA 72 N 1.32 1.16 -0.29 9.38 0.00 -0.30 -0.55 121.76 132.48 3ktw s ALA 72 Ca -0.01 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 3ktw s ALA 72 Cb -0.17 -3.13 0.17 0.00 0.00 0.00 0.00 23.12 19.99 3ktw s ALA 72 CO -0.04 -2.68 1.16 0.08 0.00 0.00 0.00 175.76 174.28 3ktw s VAL 73 N -2.98 0.00 0.04 0.00 1.01 -0.62 -3.29 120.40 114.55 3ktw s VAL 73 Ca 0.65 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 3ktw s VAL 73 Cb -0.18 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 3ktw s VAL 73 CO 0.57 0.00 1.42 -1.59 0.00 0.00 0.00 175.10 175.50 3ktw s LYS 74 N 0.80 4.29 0.20 2.72 -2.85 0.12 0.40 119.74 125.42 3ktw s LYS 74 Ca -0.03 2.02 -0.31 0.00 -1.00 0.00 0.00 55.97 56.65 3ktw s LYS 74 Cb -0.04 -3.48 -0.10 0.00 -2.06 0.00 0.00 37.83 32.15 3ktw s LYS 74 CO -0.12 -0.54 1.47 0.21 0.10 0.00 0.00 175.35 176.47 3ktw s LYS 75 N 2.04 4.26 -0.19 1.78 2.20 0.31 -4.82 119.74 125.31 3ktw s LYS 75 Ca 0.65 2.28 -0.20 0.00 -0.36 0.00 0.00 55.97 58.34 3ktw s LYS 75 Cb -0.34 -3.15 -0.17 0.00 -1.51 0.00 0.00 37.83 32.67 3ktw s LYS 75 CO 0.28 -0.48 0.20 0.28 -0.36 0.00 0.00 175.35 175.27 3ktw h VAL 76 N 3.81 0.84 0.00 4.02 2.07 -1.92 -3.46 116.25 121.61 3ktw h VAL 76 Ca -0.44 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.05 3ktw h VAL 76 Cb 1.21 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3ktw h VAL 76 CO 0.84 0.29 -0.73 1.17 0.02 0.00 0.00 177.57 179.15 3ktw n LYS 77 N -4.47 0.00 -3.59 1.57 4.81 -1.26 -5.01 118.16 110.21 3ktw n LYS 77 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.06 3ktw n LYS 77 Cb 0.61 -0.82 -0.06 0.00 0.02 0.00 0.00 35.03 34.78 3ktw n LYS 77 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3ktw s SER 78 N -3.84 -0.43 0.25 3.14 1.04 -1.26 -4.96 113.70 107.64 3ktw s SER 78 Ca 0.00 0.57 -0.05 0.00 0.48 0.00 0.00 55.95 56.95 3ktw s SER 78 Cb 0.00 0.49 0.46 0.00 0.10 0.00 0.00 66.02 67.08 3ktw s SER 78 CO 0.00 -0.32 1.36 1.17 0.98 0.00 0.00 173.24 176.42 3ktw n LYS 79 N 1.14 -0.08 0.06 4.02 4.81 -1.26 -0.52 118.16 126.34 3ktw n LYS 79 Ca -0.12 1.34 -0.12 0.00 -0.87 0.00 0.00 58.31 58.54 3ktw n LYS 79 Cb 0.57 -2.04 -0.07 0.00 0.02 0.00 0.00 35.03 33.51 3ktw n LYS 79 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 3ktw h ASN 80 N 0.00 -0.08 -0.39 3.14 -1.24 -2.00 -1.75 115.58 113.26 3ktw h ASN 80 Ca 0.44 0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.53 3ktw h ASN 80 Cb 0.74 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.76 3ktw h ASN 80 CO -0.88 -0.05 -0.02 0.22 -1.29 0.00 0.00 177.43 175.41 3ktw h TYR 81 N -0.08 -0.06 -0.17 0.67 3.20 -1.18 -0.90 116.97 118.45 3ktw h TYR 81 Ca -0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3ktw h TYR 81 Cb 0.07 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 3ktw h TYR 81 CO -0.09 -0.10 -0.46 1.15 -1.64 0.00 0.00 178.16 177.03 3ktw h THR 82 N 0.08 0.10 -0.78 1.81 2.02 -0.93 -1.70 112.91 113.50 3ktw h THR 82 Ca 0.19 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.52 3ktw h THR 82 Cb 0.27 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 66.68 3ktw h THR 82 CO -0.34 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 175.81 3ktw h LEU 83 N -0.50 0.30 -0.22 2.58 3.38 -0.31 -0.03 115.31 120.51 3ktw h LEU 83 Ca 0.07 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3ktw h LEU 83 Cb 0.64 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3ktw h LEU 83 CO -0.43 0.10 0.14 0.11 0.09 0.00 0.00 178.44 178.44 3ktw h LYS 84 N 0.45 0.27 0.16 1.13 1.57 -0.40 0.11 116.57 119.87 3ktw h LYS 84 Ca 0.44 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 3ktw h LYS 84 Cb 0.69 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3ktw h LYS 84 CO -0.42 0.18 -0.08 -0.84 -0.57 0.00 0.00 179.45 177.72 3ktw h ILE 85 N 0.28 0.91 -1.07 1.86 3.07 -0.54 0.45 117.51 122.47 3ktw h ILE 85 Ca 0.08 -0.33 0.33 0.00 1.55 0.00 0.00 64.86 66.49 3ktw h ILE 85 Cb -0.02 1.12 -0.14 0.00 -0.27 0.00 0.00 36.82 37.51 3ktw h ILE 85 CO -0.03 0.08 0.64 0.40 -1.05 0.00 0.00 178.15 178.19 3ktw h ILE 86 N -0.38 0.30 0.24 0.16 2.04 -0.93 0.19 117.51 119.13 3ktw h ILE 86 Ca -0.02 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3ktw h ILE 86 Cb 0.30 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3ktw h ILE 86 CO 0.04 0.05 -0.12 -0.74 0.00 0.00 0.00 178.15 177.38 3ktw h HIS 87 N 0.29 -0.31 -1.17 1.37 2.76 0.97 -2.21 115.15 116.86 3ktw h HIS 87 Ca 0.73 -0.01 0.41 0.00 -2.20 0.00 0.00 60.37 59.30 3ktw h HIS 87 Cb 1.81 0.10 -0.15 0.00 1.55 0.00 0.00 27.41 30.73 3ktw h HIS 87 CO -0.01 -0.19 0.71 -0.91 -1.30 0.00 0.00 177.93 176.23 3ktw h ASN 88 N -0.51 0.32 0.52 3.26 2.35 0.55 0.37 115.58 122.44 3ktw h ASN 88 Ca -0.03 0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3ktw h ASN 88 Cb 0.25 0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.80 3ktw h ASN 88 CO 0.06 -0.24 -0.25 0.00 -1.65 0.00 0.00 177.43 175.34 3ktw h ALA 89 N 1.76 -0.69 0.19 -0.83 0.00 -0.53 0.25 119.26 119.41 3ktw h ALA 89 Ca 0.81 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.57 3ktw h ALA 89 Cb 2.31 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 20.33 3ktw h ALA 89 CO -0.55 -0.86 -0.51 -0.07 0.00 0.00 0.00 179.25 177.26 3ktw h LEU 90 N -0.75 -1.50 -0.58 0.00 3.38 0.36 0.11 115.31 116.33 3ktw h LEU 90 Ca -0.07 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3ktw h LEU 90 Cb 0.56 0.55 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 3ktw h LEU 90 CO 0.12 -0.57 -0.20 -0.03 0.09 0.00 0.00 178.44 177.84 3ktw h MET 91 N -0.79 -0.06 -0.80 1.13 4.05 -1.44 -1.24 114.93 115.78 3ktw h MET 91 Ca -0.01 0.00 0.30 0.00 -0.28 0.00 0.00 59.70 59.71 3ktw h MET 91 Cb 0.77 0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 31.44 3ktw h MET 91 CO -0.24 -0.04 0.30 0.41 0.23 0.00 0.00 176.91 177.57 3ktw n GLY 92 N -1.42 -0.75 3.56 1.39 0.00 0.89 -2.95 105.19 105.90 3ktw n GLY 92 Ca 0.06 0.69 -0.38 0.00 0.00 0.00 0.00 46.02 46.39 3ktw n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ktw s THR 93 N -5.38 3.84 0.00 2.61 2.01 -0.47 -5.08 115.64 113.17 3ktw s THR 93 Ca -0.08 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3ktw s THR 93 Cb 0.26 -4.87 0.00 0.00 0.01 0.00 0.00 72.50 67.90 3ktw s THR 93 CO 0.62 -1.76 0.00 0.54 -0.69 0.00 0.00 174.62 173.33