#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kly h ALA 2 N 0.00 0.22 -0.43 3.04 0.00 -1.96 -3.18 119.26 116.96 2kly h ALA 2 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.04 2kly h ALA 2 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kly h ALA 2 CO 0.00 0.84 -0.11 0.78 0.00 0.00 0.00 179.25 180.75 2kly h GLY 3 N 1.16 0.90 2.00 0.00 0.00 -1.98 0.51 103.07 105.67 2kly h GLY 3 Ca -0.12 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 2kly h GLY 3 CO 0.19 0.69 -0.31 0.00 0.00 0.00 0.00 176.54 177.11 2kly h THR 4 N 0.66 0.84 -0.02 4.70 1.03 -1.90 -0.35 112.91 117.88 2kly h THR 4 Ca 0.11 -1.25 -0.12 0.00 -0.01 0.00 0.00 66.41 65.13 2kly h THR 4 Cb 0.65 1.76 0.01 0.00 -1.07 0.00 0.00 68.15 69.50 2kly h THR 4 CO 0.04 0.30 -0.46 0.00 -0.01 0.00 0.00 175.52 175.40 2kly h ALA 5 N 1.69 0.09 -0.65 0.00 0.00 -1.32 -2.19 119.26 116.88 2kly h ALA 5 Ca -0.00 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.47 2kly h ALA 5 Cb 0.74 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2kly h ALA 5 CO 0.04 0.27 0.31 -0.07 0.00 0.00 0.00 179.25 179.80 2kly h LEU 6 N -0.18 0.41 -1.20 0.00 3.38 0.19 -1.87 115.31 116.03 2kly h LEU 6 Ca -0.05 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2kly h LEU 6 Cb 1.17 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2kly h LEU 6 CO 0.09 0.25 0.56 0.11 0.09 0.00 0.00 178.44 179.54 2kly h LYS 7 N 0.56 0.96 -0.28 1.13 1.57 -1.01 0.25 116.57 119.75 2kly h LYS 7 Ca 0.31 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 2kly h LYS 7 Cb 0.30 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2kly h LYS 7 CO -0.24 0.64 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.06 2kly h ARG 8 N 0.99 0.57 0.00 3.15 9.65 -0.70 -2.54 114.38 125.50 2kly h ARG 8 Ca 0.36 -0.24 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2kly h ARG 8 Cb 0.15 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2kly h ARG 8 CO -0.12 0.80 -0.28 -0.07 2.80 0.00 0.00 179.97 183.10 2kly h LEU 9 N 0.31 0.00 -0.61 3.80 3.38 -0.90 -2.17 115.31 119.12 2kly h LEU 9 Ca 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2kly h LEU 9 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kly h LEU 9 CO 0.04 0.28 -0.39 0.24 0.09 0.00 0.00 178.44 178.70 2kly h MET 10 N 0.00 0.66 -0.49 1.13 2.86 -0.42 0.79 114.93 119.45 2kly h MET 10 Ca -0.00 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 2kly h MET 10 Cb 0.97 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 2kly h MET 10 CO 0.04 0.94 0.12 0.00 1.06 0.00 0.00 176.91 179.07 2kly h ALA 11 N 1.02 0.65 -0.28 6.32 0.00 -1.19 -1.26 119.26 124.52 2kly h ALA 11 Ca 0.05 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kly h ALA 11 Cb 0.91 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2kly h ALA 11 CO 0.08 0.34 -0.09 0.93 0.00 0.00 0.00 179.25 180.51 2kly h GLU 12 N 0.68 -0.03 0.07 0.00 4.39 -1.11 -2.36 114.58 116.21 2kly h GLU 12 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2kly h GLU 12 Cb 0.32 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2kly h GLU 12 CO 0.00 -0.02 -0.22 -0.92 -1.16 0.00 0.00 179.01 176.69 2kly h TYR 13 N -0.03 -0.65 -0.39 4.33 3.20 -0.57 -1.74 116.97 121.12 2kly h TYR 13 Ca 0.14 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.11 2kly h TYR 13 Cb 0.25 0.27 -0.09 0.00 1.54 0.00 0.00 36.73 38.70 2kly h TYR 13 CO -0.29 -0.26 -0.24 0.87 -1.64 0.00 0.00 178.16 176.60 2kly h LYS 14 N -0.33 -0.16 -0.08 1.82 1.57 -1.17 -0.46 116.57 117.76 2kly h LYS 14 Ca -0.01 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2kly h LYS 14 Cb 0.33 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2kly h LYS 14 CO -0.11 -0.11 -0.37 1.96 -0.57 0.00 0.00 179.45 180.24 2kly h GLN 15 N -0.17 0.17 -0.41 3.15 7.50 -1.39 0.04 115.11 124.01 2kly h GLN 15 Ca 0.19 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.22 2kly h GLN 15 Cb 0.47 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 2kly h GLN 15 CO -0.49 0.53 0.08 -0.07 -1.50 0.00 0.00 178.83 177.38 2kly h LEU 16 N 0.15 0.56 -0.27 1.46 3.38 -0.57 0.44 115.31 120.46 2kly h LEU 16 Ca 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2kly h LEU 16 Cb 0.73 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2kly h LEU 16 CO 0.06 0.57 -0.23 0.74 0.09 0.00 0.00 178.44 179.67 2kly h THR 17 N 0.59 1.31 -0.06 0.22 2.02 0.56 -3.10 112.91 114.44 2kly h THR 17 Ca 0.13 -1.37 -0.17 0.00 0.77 0.00 0.00 66.41 65.77 2kly h THR 17 Cb 0.25 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2kly h THR 17 CO -0.00 0.43 -0.70 -0.07 0.37 0.00 0.00 175.52 175.55 2kly h LEU 18 N 0.36 0.36 -6.69 2.58 4.07 -0.79 -3.42 115.31 111.77 2kly h LEU 18 Ca 0.05 -0.23 -0.48 0.00 0.08 0.00 0.00 57.88 57.29 2kly h LEU 18 Cb 0.78 -0.11 -0.38 0.00 1.08 0.00 0.00 40.66 42.03 2kly h LEU 18 CO 0.06 0.95 -0.75 0.20 -1.08 0.00 0.00 178.44 177.82 2kly s ASN 19 N -6.93 2.98 -0.34 -0.43 0.01 0.15 -5.09 114.94 105.29 2kly s ASN 19 Ca -0.05 -1.25 -0.25 0.00 -0.71 0.00 0.00 52.86 50.61 2kly s ASN 19 Cb 0.11 -0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.66 2kly s ASN 19 CO 0.82 -0.41 0.86 -2.16 -1.51 0.00 0.00 177.10 174.70 2kly s PRO 20 N 2.05 3.88 0.50 -0.60 0.04 -1.18 -4.26 135.00 135.43 2kly s PRO 20 Ca 0.10 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.47 2kly s PRO 20 Cb -0.16 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 2kly s PRO 20 CO -0.32 -0.83 1.38 -0.35 0.04 0.00 0.00 177.00 176.92 2kly n PRO 21 N 6.51 1.95 -1.83 0.56 -0.04 -1.26 -4.89 135.00 136.00 2kly n PRO 21 Ca 0.05 0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 63.80 2kly n PRO 21 Cb 0.48 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 2kly n PRO 21 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kly s GLU 22 N -2.64 4.16 -0.24 0.54 -1.05 -1.26 -2.15 118.70 116.07 2kly s GLU 22 Ca 0.66 2.43 0.00 0.00 -0.15 0.00 0.00 54.97 57.92 2kly s GLU 22 Cb -0.44 -3.91 0.00 0.00 -0.44 0.00 0.00 34.13 29.34 2kly s GLU 22 CO 0.53 -0.86 0.00 0.41 0.95 0.00 0.00 175.26 176.29 2kly n GLY 23 N 4.27 0.57 3.03 -3.83 0.00 -1.26 -5.01 105.19 102.95 2kly n GLY 23 Ca 0.18 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2kly n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kly s ILE 24 N -2.02 1.44 -0.06 -0.61 1.09 -0.91 -2.71 121.20 117.42 2kly s ILE 24 Ca 0.00 -0.59 0.04 0.00 -1.10 0.00 0.00 60.65 59.00 2kly s ILE 24 Cb 0.00 -1.34 0.00 0.00 -1.06 0.00 0.00 42.46 40.06 2kly s ILE 24 CO 0.00 0.43 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.41 2kly s VAL 25 N 1.20 1.45 -0.17 2.92 1.01 -1.07 -4.54 120.40 121.20 2kly s VAL 25 Ca -0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2kly s VAL 25 Cb -0.14 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.03 2kly s VAL 25 CO -0.05 0.42 0.43 0.00 0.00 0.00 0.00 175.10 175.91 2kly s ALA 26 N 0.22 -1.10 -0.05 5.51 0.00 -1.26 0.53 121.76 125.61 2kly s ALA 26 Ca -0.08 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.38 2kly s ALA 26 Cb -0.13 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2kly s ALA 26 CO 0.03 -0.25 -0.08 0.20 0.00 0.00 0.00 175.76 175.66 2kly s GLY 27 N 1.06 0.60 0.43 0.00 0.00 0.68 -4.97 107.32 105.12 2kly s GLY 27 Ca -0.07 -0.24 -0.25 0.00 0.00 0.00 0.00 44.72 44.16 2kly s GLY 27 CO -0.09 0.21 1.25 2.56 0.00 0.00 0.00 173.10 177.03 2kly s PRO 28 N 0.68 3.84 0.00 2.90 0.04 -1.26 -1.03 135.00 140.17 2kly s PRO 28 Ca -0.12 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2kly s PRO 28 Cb -0.14 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2kly s PRO 28 CO 0.02 -0.55 0.00 -1.33 0.04 0.00 0.00 177.00 175.18 2kly n MET 29 N -0.16 0.05 -2.13 4.56 2.81 -1.06 -4.88 117.12 116.30 2kly n MET 29 Ca 0.05 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 2kly n MET 29 Cb 0.45 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.93 2kly n MET 29 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kly s ASN 30 N -1.00 6.79 0.00 7.83 4.22 -1.26 -4.86 114.94 126.66 2kly s ASN 30 Ca 0.00 2.40 0.08 0.00 -2.14 0.00 0.00 52.86 53.20 2kly s ASN 30 Cb 0.00 -2.59 0.41 0.00 1.28 0.00 0.00 41.25 40.35 2kly s ASN 30 CO 0.00 -0.66 1.11 -0.62 -2.04 0.00 0.00 177.10 174.89 2kly n GLU 31 N 3.64 0.13 0.01 3.55 1.02 -1.26 -1.52 120.64 126.21 2kly n GLU 31 Ca 0.11 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.32 2kly n GLU 31 Cb 0.42 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.24 2kly n GLU 31 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kly h GLU 32 N 0.00 -0.09 -3.42 3.49 5.08 -2.03 -3.39 114.58 114.22 2kly h GLU 32 Ca 0.00 0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2kly h GLU 32 Cb 0.07 0.02 -0.37 0.00 0.50 0.00 0.00 28.75 28.97 2kly h GLU 32 CO 0.00 0.46 -0.37 1.21 -1.00 0.00 0.00 179.01 179.31 2kly s ASN 33 N -5.69 5.21 0.00 1.42 2.47 -0.57 -4.89 114.94 112.88 2kly s ASN 33 Ca -0.15 -3.20 0.11 0.00 0.42 0.00 0.00 52.86 50.05 2kly s ASN 33 Cb 0.00 -1.81 0.68 0.00 -1.45 0.00 0.00 41.25 38.68 2kly s ASN 33 CO 0.59 -0.27 1.24 0.33 -3.72 0.00 0.00 177.10 175.27 2kly n PHE 34 N 2.99 0.00 0.04 0.43 7.35 -1.23 -3.58 117.46 123.45 2kly n PHE 34 Ca 0.12 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.82 2kly n PHE 34 Cb 0.36 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.38 2kly n PHE 34 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2kly n PHE 35 N -0.74 1.11 -3.65 -5.13 3.72 -1.26 -4.73 117.46 106.77 2kly n PHE 35 Ca 0.09 -0.49 -0.09 0.00 -0.05 0.00 0.00 57.45 56.91 2kly n PHE 35 Cb 0.04 -0.35 -0.08 0.00 -0.94 0.00 0.00 39.48 38.15 2kly n PHE 35 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2kly s GLU 36 N -1.83 0.67 0.22 -1.08 -1.05 -1.23 -0.01 118.70 114.38 2kly s GLU 36 Ca 0.27 1.08 0.07 0.00 -0.15 0.00 0.00 54.97 56.24 2kly s GLU 36 Cb 0.21 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 2kly s GLU 36 CO 0.07 -0.14 -0.12 -1.58 0.95 0.00 0.00 175.26 174.45 2kly s TRP 37 N 1.30 1.76 -0.10 4.83 0.52 -0.31 -2.57 118.94 124.37 2kly s TRP 37 Ca -0.08 -0.62 -0.01 0.00 0.02 0.00 0.00 56.10 55.42 2kly s TRP 37 Cb -0.05 -0.87 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 2kly s TRP 37 CO -0.14 0.32 -0.07 -2.00 0.02 0.00 0.00 176.95 175.09 2kly s GLU 38 N -3.67 3.12 0.01 4.98 2.12 -0.20 -1.75 118.70 123.30 2kly s GLU 38 Ca 0.24 -0.56 0.03 0.00 0.36 0.00 0.00 54.97 55.05 2kly s GLU 38 Cb 0.01 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 2kly s GLU 38 CO 0.08 0.48 -0.10 0.00 -0.54 0.00 0.00 175.26 175.18 2kly s ALA 39 N -0.30 0.79 -0.14 6.30 0.00 0.71 -0.23 121.76 128.89 2kly s ALA 39 Ca 0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 2kly s ALA 39 Cb -0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2kly s ALA 39 CO 0.02 0.16 0.23 -0.51 0.00 0.00 0.00 175.76 175.67 2kly s LEU 40 N -0.59 4.30 -0.49 0.00 1.02 0.19 -0.15 118.68 122.96 2kly s LEU 40 Ca 0.01 0.49 -0.03 0.00 0.02 0.00 0.00 54.13 54.63 2kly s LEU 40 Cb -0.05 -2.26 0.13 0.00 0.02 0.00 0.00 46.19 44.03 2kly s LEU 40 CO 0.00 0.22 0.29 -0.63 0.02 0.00 0.00 176.35 176.25 2kly s ILE 41 N -0.12 3.43 -0.16 -0.59 -1.09 0.65 -2.59 121.20 120.73 2kly s ILE 41 Ca 0.15 -2.40 -0.28 0.00 -2.23 0.00 0.00 60.65 55.89 2kly s ILE 41 Cb -0.13 -3.31 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 2kly s ILE 41 CO 0.04 -0.76 0.94 -0.04 -1.23 0.00 0.00 174.94 173.89 2kly s MET 42 N 0.69 4.34 0.36 2.79 -1.94 -1.10 -0.73 119.30 123.70 2kly s MET 42 Ca 0.11 1.23 -0.27 0.00 -1.71 0.00 0.00 55.69 55.05 2kly s MET 42 Cb -0.22 -3.57 -0.12 0.00 2.01 0.00 0.00 34.83 32.93 2kly s MET 42 CO -0.04 -0.38 1.13 0.41 -0.01 0.00 0.00 175.02 176.13 2kly n GLY 43 N 3.29 0.12 3.55 -0.03 0.00 0.43 -4.78 105.19 107.78 2kly n GLY 43 Ca 0.08 0.26 -0.54 0.00 0.00 0.00 0.00 46.02 45.81 2kly n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kly n PRO 44 N 0.44 0.67 0.00 1.61 -0.02 -1.26 -4.12 135.00 132.32 2kly n PRO 44 Ca 0.07 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 2kly n PRO 44 Cb 0.36 -1.78 0.15 0.00 -0.02 0.00 0.00 33.50 32.21 2kly n PRO 44 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2kly n GLU 45 N 1.97 0.00 -0.88 -0.52 2.13 -1.26 -2.06 120.64 120.02 2kly n GLU 45 Ca 0.19 0.37 0.05 0.00 0.66 0.00 0.00 57.16 58.43 2kly n GLU 45 Cb 0.16 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.46 2kly n GLU 45 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2kly n ASP 46 N -1.50 1.23 0.00 4.31 5.75 -1.26 -4.99 116.55 120.10 2kly n ASP 46 Ca 0.02 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.06 2kly n ASP 46 Cb 0.08 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2kly n ASP 46 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2kly n THR 47 N -0.33 0.00 0.86 2.12 -2.24 -0.88 -5.05 114.28 108.77 2kly n THR 47 Ca 0.10 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 2kly n THR 47 Cb 0.87 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 2kly n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kly n PHE 49 N -1.58 0.03 -1.53 0.00 3.72 -1.26 -4.16 117.46 112.67 2kly n PHE 49 Ca 0.03 -0.01 -0.34 0.00 -0.05 0.00 0.00 57.45 57.08 2kly n PHE 49 Cb 0.35 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.97 2kly n PHE 49 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2kly s GLU 50 N -1.97 2.37 0.00 -1.08 2.12 -1.22 -2.61 118.70 116.31 2kly s GLU 50 Ca 0.39 1.58 0.00 0.00 0.36 0.00 0.00 54.97 57.30 2kly s GLU 50 Cb 0.19 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.70 2kly s GLU 50 CO 0.32 -1.62 0.00 1.19 -0.54 0.00 0.00 175.26 174.61 2kly n PHE 51 N -2.67 0.00 -2.56 5.30 3.72 -1.26 -4.90 117.46 115.08 2kly n PHE 51 Ca 0.12 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.11 2kly n PHE 51 Cb 0.51 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 2kly n PHE 51 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2kly s GLY 52 N -0.94 3.01 -0.32 1.37 0.00 -1.07 -4.90 107.32 104.47 2kly s GLY 52 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.54 2kly s GLY 52 CO 0.00 1.47 0.02 0.14 0.00 0.00 0.00 173.10 174.74 2kly s VAL 53 N -0.83 2.07 -0.35 1.40 1.01 -1.26 -0.42 120.40 122.02 2kly s VAL 53 Ca 0.45 -2.07 -0.09 0.00 0.00 0.00 0.00 61.98 60.28 2kly s VAL 53 Cb -0.29 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2kly s VAL 53 CO 0.36 -0.49 0.15 -0.36 0.00 0.00 0.00 175.10 174.77 2kly s PHE 54 N 1.04 3.24 0.42 5.22 0.08 0.09 -4.66 117.98 123.41 2kly s PHE 54 Ca 0.07 -1.16 -0.23 0.00 0.12 0.00 0.00 56.93 55.73 2kly s PHE 54 Cb -0.19 -2.35 -0.09 0.00 -0.57 0.00 0.00 43.02 39.82 2kly s PHE 54 CO -0.09 -0.67 1.05 -1.25 -0.10 0.00 0.00 175.22 174.15 2kly s PRO 55 N 1.48 4.08 0.13 0.24 0.04 -1.26 -0.26 135.00 139.45 2kly s PRO 55 Ca 0.00 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 2kly s PRO 55 Cb -0.19 -2.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 2kly s PRO 55 CO 0.05 -0.21 0.24 0.00 0.04 0.00 0.00 177.00 177.12 2kly s ALA 56 N -1.74 -0.10 -0.03 8.56 0.00 0.78 -1.19 121.76 128.03 2kly s ALA 56 Ca 0.60 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.84 2kly s ALA 56 Cb -0.20 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.60 2kly s ALA 56 CO 0.25 -0.58 -0.16 0.42 0.00 0.00 0.00 175.76 175.69 2kly s ILE 57 N -3.92 1.32 -0.12 0.00 1.01 0.72 -0.21 121.20 120.00 2kly s ILE 57 Ca 0.12 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2kly s ILE 57 Cb 0.04 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.39 2kly s ILE 57 CO -0.05 0.38 -0.20 -0.76 0.00 0.00 0.00 174.94 174.31 2kly s LEU 58 N -0.03 1.98 -0.10 2.97 1.02 -0.72 -1.74 118.68 122.06 2kly s LEU 58 Ca -0.01 -0.54 -0.00 0.00 0.02 0.00 0.00 54.13 53.60 2kly s LEU 58 Cb -0.10 -1.32 -0.02 0.00 0.02 0.00 0.00 46.19 44.77 2kly s LEU 58 CO 0.01 0.07 -0.09 -0.55 0.02 0.00 0.00 176.35 175.82 2kly s SER 59 N 0.80 4.43 0.15 2.29 0.15 0.11 -1.17 113.70 120.47 2kly s SER 59 Ca -0.09 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.47 2kly s SER 59 Cb -0.16 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 2kly s SER 59 CO -0.00 0.26 0.01 -0.36 1.20 0.00 0.00 173.24 174.35 2kly s PHE 60 N -0.20 2.92 0.42 3.44 0.08 0.98 -0.96 117.98 124.67 2kly s PHE 60 Ca 0.02 -0.09 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 2kly s PHE 60 Cb -0.13 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 2kly s PHE 60 CO 0.03 0.50 0.69 -1.25 -0.10 0.00 0.00 175.22 175.09 2kly s PRO 61 N -2.76 3.52 -0.03 0.24 0.04 -1.26 -4.86 135.00 129.90 2kly s PRO 61 Ca 0.27 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2kly s PRO 61 Cb -0.10 -2.50 0.05 0.00 0.04 0.00 0.00 34.50 32.00 2kly s PRO 61 CO 0.19 -0.05 1.01 1.28 0.04 0.00 0.00 177.00 179.47 2kly n LEU 62 N -2.03 3.05 -0.00 -3.56 4.77 -1.26 -3.92 117.00 114.04 2kly n LEU 62 Ca -0.02 -1.54 0.09 0.00 -0.03 0.00 0.00 56.01 54.51 2kly n LEU 62 Cb 0.55 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 41.00 2kly n LEU 62 CO 0.51 0.51 -0.35 0.47 -1.33 0.00 0.00 177.39 177.21 2kly n ASP 63 N 0.33 0.82 0.00 -1.43 8.00 -1.26 -4.67 116.55 118.34 2kly n ASP 63 Ca 0.04 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2kly n ASP 63 Cb 0.56 1.38 0.00 0.00 -0.02 0.00 0.00 41.12 43.04 2kly n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kly n TYR 64 N -1.74 0.00 -1.53 1.24 9.36 -1.25 -2.51 117.16 120.73 2kly n TYR 64 Ca 0.00 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.83 2kly n TYR 64 Cb 0.37 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.01 2kly n TYR 64 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2kly n PRO 65 N 0.00 0.84 0.06 2.98 -0.02 -1.26 -3.06 135.00 134.54 2kly n PRO 65 Ca 0.00 0.07 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 2kly n PRO 65 Cb 0.00 -2.82 -0.06 0.00 -0.02 0.00 0.00 33.50 30.61 2kly n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kly h LEU 66 N 16.48 0.00 -9.66 2.45 3.38 -1.82 -3.47 115.31 122.67 2kly h LEU 66 Ca -0.21 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.11 2kly h LEU 66 Cb 1.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2kly h LEU 66 CO 1.19 0.48 -0.39 -0.55 0.09 0.00 0.00 178.44 179.25 2kly s SER 67 N -5.80 6.53 0.19 -0.43 0.15 -1.26 -4.91 113.70 108.16 2kly s SER 67 Ca -0.02 0.63 -0.33 0.00 0.70 0.00 0.00 55.95 56.94 2kly s SER 67 Cb 0.09 -2.13 -0.13 0.00 -1.71 0.00 0.00 66.02 62.14 2kly s SER 67 CO 0.80 0.38 1.64 -0.81 1.20 0.00 0.00 173.24 176.44 2kly n PRO 68 N 1.91 2.44 -1.44 5.44 -0.04 -1.26 -4.64 135.00 137.40 2kly n PRO 68 Ca -0.18 0.88 -0.33 0.00 -0.04 0.00 0.00 63.50 63.83 2kly n PRO 68 Cb 0.54 -2.68 0.08 0.00 -0.04 0.00 0.00 33.50 31.41 2kly n PRO 68 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2kly s PRO 69 N 0.92 2.29 -0.08 0.54 0.04 -1.26 -4.88 135.00 132.56 2kly s PRO 69 Ca 0.76 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 2kly s PRO 69 Cb -0.60 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 2kly s PRO 69 CO 0.36 -1.67 0.37 0.21 0.04 0.00 0.00 177.00 176.31 2kly s LYS 70 N -4.24 4.07 -0.10 4.56 2.20 -0.13 -4.94 119.74 121.15 2kly s LYS 70 Ca 0.68 0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 56.48 2kly s LYS 70 Cb -0.23 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2kly s LYS 70 CO 0.47 0.46 0.28 1.41 -0.36 0.00 0.00 175.35 177.60 2kly s MET 71 N -0.27 0.34 0.01 4.03 1.75 -1.26 0.09 119.30 123.99 2kly s MET 71 Ca 0.21 0.35 -0.13 0.00 -1.25 0.00 0.00 55.69 54.88 2kly s MET 71 Cb -0.15 0.16 0.02 0.00 2.84 0.00 0.00 34.83 37.70 2kly s MET 71 CO 0.09 -0.05 0.27 -0.98 -0.65 0.00 0.00 175.02 173.71 2kly s ARG 72 N 0.06 0.68 0.10 4.11 1.70 -0.71 -3.21 118.95 121.69 2kly s ARG 72 Ca -0.01 -0.37 -0.17 0.00 -0.47 0.00 0.00 55.73 54.71 2kly s ARG 72 Cb -0.02 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 2kly s ARG 72 CO 0.01 -0.20 0.56 -0.06 -1.08 0.00 0.00 175.30 174.53 2kly s PHE 73 N -1.84 3.74 -0.09 5.89 0.40 0.81 -0.20 117.98 126.69 2kly s PHE 73 Ca -0.10 1.19 -0.05 0.00 -0.60 0.00 0.00 56.93 57.38 2kly s PHE 73 Cb -0.04 -2.45 -0.27 0.00 0.51 0.00 0.00 43.02 40.78 2kly s PHE 73 CO 0.01 0.54 0.49 1.79 0.70 0.00 0.00 175.22 178.74 2kly h THR 74 N 3.30 0.74 -4.40 0.64 1.35 -1.40 -3.38 112.91 109.75 2kly h THR 74 Ca -0.49 -2.45 -0.33 0.00 -0.55 0.00 0.00 66.41 62.59 2kly h THR 74 Cb 1.21 2.55 0.08 0.00 -1.73 0.00 0.00 68.15 70.27 2kly h THR 74 CO 0.64 0.84 0.16 0.00 -0.25 0.00 0.00 175.52 176.91 2kly s GLU 76 N -4.63 3.01 0.00 0.00 1.03 -1.26 -4.87 118.70 111.97 2kly s GLU 76 Ca 0.51 0.61 0.00 0.00 0.03 0.00 0.00 54.97 56.12 2kly s GLU 76 Cb -0.02 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 31.28 2kly s GLU 76 CO 0.34 -0.96 0.00 -1.33 -1.33 0.00 0.00 175.26 171.98 2kly n MET 77 N -2.98 0.00 -3.27 -4.83 2.81 -1.26 -4.84 117.12 102.74 2kly n MET 77 Ca 0.07 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.75 2kly n MET 77 Cb 0.56 -0.46 0.02 0.00 -0.71 0.00 0.00 33.22 32.63 2kly n MET 77 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2kly n PHE 78 N -1.20 -2.08 -3.73 2.03 7.35 -1.26 -4.92 117.46 113.65 2kly n PHE 78 Ca 0.00 0.87 -0.12 0.00 -0.76 0.00 0.00 57.45 57.44 2kly n PHE 78 Cb 0.00 -1.99 -0.13 0.00 0.35 0.00 0.00 39.48 37.71 2kly n PHE 78 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2kly s HIS 79 N -1.47 -0.36 0.29 -5.13 2.46 -1.26 -4.99 115.29 104.83 2kly s HIS 79 Ca 0.22 0.84 0.03 0.00 0.47 0.00 0.00 55.06 56.62 2kly s HIS 79 Cb -0.03 0.08 0.62 0.00 -0.13 0.00 0.00 32.58 33.12 2kly s HIS 79 CO 0.59 -0.24 1.81 -1.00 -2.47 0.00 0.00 174.74 173.43 2kly h PRO 80 N 7.11 0.85 0.00 2.88 0.13 -1.85 0.32 132.00 141.44 2kly h PRO 80 Ca -0.39 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kly h PRO 80 Cb 1.16 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2kly h PRO 80 CO 0.36 0.56 -0.38 -1.71 -0.23 0.00 0.00 178.00 176.61 2kly n ASN 81 N -4.70 0.42 -4.81 1.44 5.15 -1.26 -1.14 115.26 110.37 2kly n ASN 81 Ca 0.21 0.02 -0.37 0.00 -0.60 0.00 0.00 54.58 53.84 2kly n ASN 81 Cb 0.45 0.02 -0.07 0.00 -0.53 0.00 0.00 39.78 39.65 2kly n ASN 81 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2kly s ILE 82 N -3.03 5.34 0.48 -1.44 1.01 0.10 -3.89 121.20 119.78 2kly s ILE 82 Ca 0.11 0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.96 2kly s ILE 82 Cb 0.17 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 2kly s ILE 82 CO 0.66 0.52 1.25 -1.22 0.00 0.00 0.00 174.94 176.15 2kly n TYR 83 N 2.62 1.98 0.35 3.97 4.01 0.12 -4.09 117.16 126.12 2kly n TYR 83 Ca -0.16 0.47 0.14 0.00 -0.16 0.00 0.00 57.90 58.20 2kly n TYR 83 Cb 0.53 -2.34 0.53 0.00 -0.31 0.00 0.00 39.34 37.75 2kly n TYR 83 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2kly h PRO 84 N 1.66 0.00 0.62 -0.72 0.13 -1.90 -1.72 132.00 130.06 2kly h PRO 84 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2kly h PRO 84 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 2kly h PRO 84 CO 0.58 0.00 -0.30 -0.44 -0.23 0.00 0.00 178.00 177.61 2kly h ASP 85 N 0.00 -0.70 0.00 1.44 5.19 -1.95 -3.48 116.42 116.92 2kly h ASP 85 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2kly h ASP 85 Cb 0.55 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2kly h ASP 85 CO 0.00 -0.35 0.00 0.61 -3.12 0.00 0.00 179.24 176.38 2kly n GLY 86 N -0.74 0.11 0.00 2.75 0.00 -0.65 -4.96 105.19 101.71 2kly n GLY 86 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2kly n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kly n ARG 87 N 0.00 1.96 0.00 1.61 1.74 -1.26 -0.13 116.66 120.59 2kly n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kly n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kly n ARG 87 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2kly n VAL 88 N -0.47 0.00 0.00 1.55 0.31 -1.20 -3.65 118.33 114.88 2kly n VAL 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2kly n VAL 88 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2kly n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kly s ILE 90 N -0.15 0.20 0.49 0.00 1.01 -1.26 -4.62 121.20 116.87 2kly s ILE 90 Ca 0.00 -0.83 0.41 0.00 0.00 0.00 0.00 60.65 60.23 2kly s ILE 90 Cb 0.00 -0.31 0.43 0.00 0.01 0.00 0.00 42.46 42.59 2kly s ILE 90 CO 0.00 -0.40 2.25 0.77 0.00 0.00 0.00 174.94 177.56 2kly h SER 91 N 4.82 0.00 0.28 3.58 4.64 -1.91 -1.68 113.55 123.28 2kly h SER 91 Ca -0.32 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.81 2kly h SER 91 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2kly h SER 91 CO 0.42 0.00 -0.77 -0.29 -0.87 0.00 0.00 176.83 175.33 2kly h ILE 92 N 0.00 1.39 -0.04 0.95 2.10 -1.89 -2.18 117.51 117.83 2kly h ILE 92 Ca -0.00 -2.20 0.00 0.00 1.08 0.00 0.00 64.86 63.74 2kly h ILE 92 Cb 0.16 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 2kly h ILE 92 CO 0.00 0.66 0.00 0.18 -1.08 0.00 0.00 178.15 177.91 2kly n LEU 93 N -3.82 0.22 0.00 2.19 4.77 -0.64 -1.64 117.00 118.08 2kly n LEU 93 Ca -0.05 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2kly n LEU 93 Cb 0.73 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2kly n LEU 93 CO 0.48 0.05 0.00 1.41 -1.33 0.00 0.00 177.39 178.01 2kly n HIS 94 N -0.42 0.00 -3.42 -1.77 8.25 -0.83 -4.92 115.22 112.10 2kly n HIS 94 Ca 0.04 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.31 2kly n HIS 94 Cb 0.05 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.22 2kly n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kly n ALA 95 N -3.00 -2.27 -1.39 -1.41 0.00 -1.17 -4.43 120.51 106.83 2kly n ALA 95 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 2kly n ALA 95 Cb 0.00 -3.96 -0.08 0.00 0.00 0.00 0.00 19.45 15.41 2kly n ALA 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kly n PRO 96 N -3.78 2.32 -0.42 0.00 -0.04 -1.26 -4.32 135.00 127.50 2kly n PRO 96 Ca -0.18 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 2kly n PRO 96 Cb 0.64 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2kly n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kly n GLY 97 N 1.18 0.73 3.13 0.55 0.00 -1.26 -5.04 105.19 104.48 2kly n GLY 97 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 2kly n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kly s ASP 98 N -2.70 4.94 -0.22 1.61 -1.08 -1.26 -5.09 116.67 112.87 2kly s ASP 98 Ca 0.00 -1.63 -0.28 0.00 -0.52 0.00 0.00 52.55 50.12 2kly s ASP 98 Cb 0.00 -1.72 0.00 0.00 -1.46 0.00 0.00 42.92 39.74 2kly s ASP 98 CO 0.00 -0.35 0.97 1.51 0.52 0.00 0.00 175.17 177.81 2kly s ASP 99 N 1.35 7.02 -0.34 -0.34 -4.77 -1.26 -3.41 116.67 114.93 2kly s ASP 99 Ca 0.01 1.28 -0.20 0.00 -3.30 0.00 0.00 52.55 50.34 2kly s ASP 99 Cb -0.21 -2.51 -0.00 0.00 -1.09 0.00 0.00 42.92 39.12 2kly s ASP 99 CO -0.03 -0.60 0.61 -2.16 0.70 0.00 0.00 175.17 173.69 2kly s PRO 100 N 2.96 3.75 1.63 2.11 0.04 -1.26 -4.96 135.00 139.28 2kly s PRO 100 Ca 0.41 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2kly s PRO 100 Cb -0.15 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2kly s PRO 100 CO 0.07 -0.65 0.00 -1.33 0.04 0.00 0.00 177.00 175.13 2kly n MET 101 N 5.92 -0.60 -0.83 4.56 2.81 -1.26 -3.71 117.12 124.01 2kly n MET 101 Ca -0.02 0.40 -0.10 0.00 -1.81 0.00 0.00 57.70 56.16 2kly n MET 101 Cb 0.49 -0.73 -0.03 0.00 -0.71 0.00 0.00 33.22 32.23 2kly n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kly n GLY 102 N -0.88 3.26 3.78 3.03 0.00 -1.26 -4.92 105.19 108.20 2kly n GLY 102 Ca 0.00 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 2kly n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kly s TYR 103 N -0.50 3.10 0.00 1.61 1.51 -1.24 -4.92 117.35 116.91 2kly s TYR 103 Ca 0.29 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 2kly s TYR 103 Cb 0.18 -3.23 0.00 0.00 -0.11 0.00 0.00 41.96 38.80 2kly s TYR 103 CO -0.03 -1.00 0.76 -0.85 -1.11 0.00 0.00 175.55 173.33 2kly n GLU 104 N -0.28 0.00 -1.09 -0.62 0.28 -1.26 -4.92 120.64 112.75 2kly n GLU 104 Ca 0.06 -0.63 -0.17 0.00 -0.16 0.00 0.00 57.16 56.25 2kly n GLU 104 Cb 0.49 -0.34 -0.14 0.00 1.43 0.00 0.00 31.44 32.88 2kly n GLU 104 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2kly n SER 105 N 0.00 5.87 0.00 -1.84 7.64 -1.26 -4.67 113.62 119.36 2kly n SER 105 Ca 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2kly n SER 105 Cb 0.62 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2kly n SER 105 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kly n SER 106 N 2.53 0.00 -3.23 6.43 7.64 -1.26 -4.44 113.62 121.29 2kly n SER 106 Ca 0.49 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.23 2kly n SER 106 Cb 0.79 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.90 2kly n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kly n ALA 107 N 0.19 -2.68 -1.40 -0.43 0.00 -1.26 -4.95 120.51 109.98 2kly n ALA 107 Ca 0.00 0.34 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 2kly n ALA 107 Cb 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 19.45 17.41 2kly n ALA 107 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kly s GLU 108 N -3.20 2.47 -0.02 0.00 1.03 -1.26 -4.96 118.70 112.76 2kly s GLU 108 Ca 0.14 1.02 0.03 0.00 0.03 0.00 0.00 54.97 56.19 2kly s GLU 108 Cb -0.03 -1.93 -0.01 0.00 -0.80 0.00 0.00 34.13 31.37 2kly s GLU 108 CO 0.81 -1.45 -0.11 0.50 -1.33 0.00 0.00 175.26 173.67 2kly s ARG 109 N -4.98 1.02 -0.73 -4.83 6.06 -1.26 -2.84 118.95 111.39 2kly s ARG 109 Ca 0.60 -0.40 -0.26 0.00 -2.50 0.00 0.00 55.73 53.17 2kly s ARG 109 Cb -0.16 -0.96 -0.08 0.00 0.06 0.00 0.00 34.95 33.81 2kly s ARG 109 CO 0.56 0.21 2.19 -0.46 -2.50 0.00 0.00 175.30 175.30 2kly s TRP 110 N -0.12 1.40 0.32 5.12 -0.11 -0.65 -4.89 118.94 120.01 2kly s TRP 110 Ca 0.02 1.33 0.07 0.00 1.22 0.00 0.00 56.10 58.73 2kly s TRP 110 Cb -0.06 -3.74 -0.02 0.00 -1.50 0.00 0.00 33.47 28.15 2kly s TRP 110 CO -0.00 -1.93 0.40 -1.12 -4.62 0.00 0.00 176.95 169.67 2kly s SER 111 N 9.89 5.79 0.13 5.86 0.01 -1.26 -4.91 113.70 129.21 2kly s SER 111 Ca 0.83 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.90 2kly s SER 111 Cb -0.12 -1.22 0.35 0.00 0.21 0.00 0.00 66.02 65.25 2kly s SER 111 CO 0.11 -0.36 1.09 -2.65 0.41 0.00 0.00 173.24 171.84 2kly n PRO 112 N -1.53 0.04 0.00 12.44 -0.02 -1.26 -0.15 135.00 144.52 2kly n PRO 112 Ca -0.02 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2kly n PRO 112 Cb 0.58 -1.80 0.39 0.00 -0.02 0.00 0.00 33.50 32.66 2kly n PRO 112 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2kly n VAL 113 N -1.67 0.01 -3.14 -1.45 3.14 -1.26 -4.84 118.33 109.11 2kly n VAL 113 Ca -0.00 -0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 2kly n VAL 113 Cb 0.17 -0.04 -0.06 0.00 -1.06 0.00 0.00 33.84 32.85 2kly n VAL 113 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2kly s GLN 114 N -3.00 4.07 0.24 1.45 -1.52 0.78 -5.00 119.66 116.68 2kly s GLN 114 Ca 0.12 0.71 -0.15 0.00 -1.95 0.00 0.00 55.36 54.09 2kly s GLN 114 Cb 0.18 -2.59 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 2kly s GLN 114 CO 0.64 0.24 0.52 -1.12 -0.25 0.00 0.00 175.29 175.32 2kly s SER 115 N -2.07 -0.14 0.32 5.90 0.01 -1.26 -4.92 113.70 111.54 2kly s SER 115 Ca 0.50 -0.80 0.09 0.00 1.31 0.00 0.00 55.95 57.06 2kly s SER 115 Cb -0.12 0.60 0.89 0.00 0.21 0.00 0.00 66.02 67.59 2kly s SER 115 CO 0.19 -1.15 1.72 -0.37 0.41 0.00 0.00 173.24 174.04 2kly h VAL 116 N 2.22 0.51 -0.45 3.43 -1.51 -1.98 0.17 116.25 118.65 2kly h VAL 116 Ca -0.26 -0.19 -0.09 0.00 -1.23 0.00 0.00 66.70 64.94 2kly h VAL 116 Cb 1.25 -0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 2kly h VAL 116 CO 0.34 0.10 -0.06 -0.08 -1.23 0.00 0.00 177.57 176.64 2kly h GLU 117 N 0.54 0.83 -0.14 5.19 4.22 -1.96 -1.48 114.58 121.78 2kly h GLU 117 Ca 0.64 -0.30 -0.03 0.00 0.08 0.00 0.00 59.36 59.76 2kly h GLU 117 Cb 1.25 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kly h GLU 117 CO -0.49 0.92 -0.01 0.87 -2.18 0.00 0.00 179.01 178.12 2kly h LYS 118 N 0.67 0.26 -0.08 1.92 1.79 -1.41 -2.51 116.57 117.21 2kly h LYS 118 Ca 0.12 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2kly h LYS 118 Cb 0.59 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2kly h LYS 118 CO 0.04 0.51 0.02 0.82 -1.08 0.00 0.00 179.45 179.76 2kly h ILE 119 N -0.02 0.98 0.00 1.86 2.04 -0.67 -1.46 117.51 120.23 2kly h ILE 119 Ca 0.04 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 2kly h ILE 119 Cb 0.41 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2kly h ILE 119 CO 0.01 0.01 -0.33 -0.07 0.00 0.00 0.00 178.15 177.77 2kly h LEU 120 N 0.06 0.00 -0.68 1.44 4.07 -1.32 0.44 115.31 119.32 2kly h LEU 120 Ca 0.03 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.89 2kly h LEU 120 Cb 0.02 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 2kly h LEU 120 CO -0.04 0.33 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.44 2kly h LEU 121 N 0.00 0.88 -0.84 1.67 -0.00 -0.98 -0.87 115.31 115.16 2kly h LEU 121 Ca -0.00 -0.29 -0.11 0.00 -0.00 0.00 0.00 57.88 57.47 2kly h LEU 121 Cb 0.62 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2kly h LEU 121 CO 0.04 1.02 -0.39 0.28 -0.00 0.00 0.00 178.44 179.39 2kly h SER 122 N 0.78 0.40 -0.25 -0.43 0.02 -0.24 -0.08 113.55 113.74 2kly h SER 122 Ca 0.12 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2kly h SER 122 Cb 0.67 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2kly h SER 122 CO 0.05 0.76 0.12 0.58 -1.14 0.00 0.00 176.83 177.19 2kly h VAL 123 N 0.32 1.15 -0.48 2.27 2.07 -0.61 -1.41 116.25 119.55 2kly h VAL 123 Ca 0.03 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 2kly h VAL 123 Cb 0.83 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2kly h VAL 123 CO 0.07 0.15 -0.03 0.58 0.02 0.00 0.00 177.57 178.35 2kly h VAL 124 N 0.28 1.25 -0.29 2.57 2.07 -0.94 -2.33 116.25 118.86 2kly h VAL 124 Ca 0.09 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2kly h VAL 124 Cb 0.13 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2kly h VAL 124 CO -0.01 0.38 0.16 -1.28 0.02 0.00 0.00 177.57 176.83 2kly h SER 125 N 0.76 0.25 0.45 0.57 0.87 -0.75 -1.40 113.55 114.29 2kly h SER 125 Ca 0.14 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2kly h SER 125 Cb 0.51 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2kly h SER 125 CO 0.03 0.18 -0.32 0.00 -0.53 0.00 0.00 176.83 176.19 2kly h MET 126 N 0.33 0.00 -0.11 2.24 -0.00 -1.11 -1.98 114.93 114.30 2kly h MET 126 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.70 2kly h MET 126 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 2kly h MET 126 CO -0.07 0.32 -0.46 -0.07 -0.00 0.00 0.00 176.91 176.63 2kly h LEU 127 N 0.00 0.30 -0.13 -0.10 3.38 -0.85 -2.55 115.31 115.35 2kly h LEU 127 Ca -0.00 -0.14 -0.23 0.00 0.09 0.00 0.00 57.88 57.60 2kly h LEU 127 Cb 0.63 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kly h LEU 127 CO 0.04 0.72 -0.99 0.00 0.09 0.00 0.00 178.44 178.30 2kly h ALA 128 N 1.29 0.33 -2.14 1.53 0.00 -0.58 -3.41 119.26 116.29 2kly h ALA 128 Ca 0.01 -0.75 -0.56 0.00 0.00 0.00 0.00 54.91 53.62 2kly h ALA 128 Cb 0.90 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.30 2kly h ALA 128 CO 0.07 0.86 -0.99 -0.85 0.00 0.00 0.00 179.25 178.34 2kly n GLU 129 N -3.69 0.38 -0.88 0.00 0.28 -0.81 -5.00 120.64 110.91 2kly n GLU 129 Ca -0.07 -3.11 -0.28 0.00 -0.16 0.00 0.00 57.16 53.54 2kly n GLU 129 Cb 0.87 -1.51 0.22 0.00 1.43 0.00 0.00 31.44 32.44 2kly n GLU 129 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2kly s PRO 130 N -0.30 -0.36 0.24 3.44 0.04 -0.97 -4.74 135.00 132.36 2kly s PRO 130 Ca 0.34 0.60 -0.17 0.00 0.04 0.00 0.00 61.00 61.80 2kly s PRO 130 Cb 0.08 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 33.00 2kly s PRO 130 CO -0.17 -3.29 0.58 1.21 0.04 0.00 0.00 177.00 175.38 2kly s ASN 131 N -3.05 -0.22 0.00 6.66 2.47 -1.26 -5.02 114.94 114.52 2kly s ASN 131 Ca 0.67 -0.66 0.11 0.00 0.42 0.00 0.00 52.86 53.41 2kly s ASN 131 Cb -0.21 0.64 0.51 0.00 -1.45 0.00 0.00 41.25 40.74 2kly s ASN 131 CO 0.61 -1.19 1.33 -0.90 -3.72 0.00 0.00 177.10 173.23 2kly n ASP 132 N -0.40 0.00 -4.63 -4.21 5.68 -1.26 -4.56 116.55 107.18 2kly n ASP 132 Ca -0.05 0.38 -0.43 0.00 -0.50 0.00 0.00 54.79 54.19 2kly n ASP 132 Cb 0.61 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 2kly n ASP 132 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2kly s GLU 133 N -2.86 3.73 -0.30 0.11 2.02 -1.26 -4.92 118.70 115.21 2kly s GLU 133 Ca 0.07 1.80 -0.15 0.00 0.02 0.00 0.00 54.97 56.72 2kly s GLU 133 Cb 0.07 -4.10 0.15 0.00 0.10 0.00 0.00 34.13 30.36 2kly s GLU 133 CO 0.19 -1.39 0.93 -1.54 0.02 0.00 0.00 175.26 173.48 2kly s SER 134 N 4.86 -0.65 -0.06 -0.19 1.04 -1.26 -4.60 113.70 112.85 2kly s SER 134 Ca 0.77 0.92 0.13 0.00 0.48 0.00 0.00 55.95 58.26 2kly s SER 134 Cb -0.28 1.62 0.41 0.00 0.10 0.00 0.00 66.02 67.88 2kly s SER 134 CO 0.32 -0.13 1.34 0.61 0.98 0.00 0.00 173.24 176.35 2kly n GLY 135 N 4.71 3.12 1.21 7.32 0.00 -1.26 -4.77 105.19 115.51 2kly n GLY 135 Ca -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2kly n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kly n ALA 136 N 0.31 3.00 -3.53 4.61 0.00 -1.24 -5.00 120.51 118.65 2kly n ALA 136 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 2kly n ALA 136 Cb 0.60 0.25 -0.12 0.00 0.00 0.00 0.00 19.45 20.18 2kly n ALA 136 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kly s ASN 137 N -5.64 2.86 0.39 0.00 3.84 -0.29 -4.37 114.94 111.73 2kly s ASN 137 Ca 0.00 -2.61 0.13 0.00 0.21 0.00 0.00 52.86 50.59 2kly s ASN 137 Cb 0.00 -0.63 0.79 0.00 -0.55 0.00 0.00 41.25 40.85 2kly s ASN 137 CO 0.00 -0.25 1.87 0.58 -2.79 0.00 0.00 177.10 176.51 2kly h VAL 138 N 4.95 1.23 -0.82 -5.21 2.07 -1.87 -2.44 116.25 114.16 2kly h VAL 138 Ca 0.10 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 2kly h VAL 138 Cb 0.93 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2kly h VAL 138 CO 0.37 0.32 0.38 -0.78 0.02 0.00 0.00 177.57 177.88 2kly h ASP 139 N 0.01 1.08 0.33 0.57 3.58 -1.96 0.21 116.42 120.25 2kly h ASP 139 Ca -0.00 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.16 2kly h ASP 139 Cb 0.57 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2kly h ASP 139 CO 0.04 0.92 -0.61 0.00 -2.88 0.00 0.00 179.24 176.71 2kly h ALA 140 N 1.20 0.81 -0.47 -0.78 0.00 -1.87 -2.38 119.26 115.78 2kly h ALA 140 Ca 0.28 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2kly h ALA 140 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kly h ALA 140 CO -0.03 0.73 0.06 0.77 0.00 0.00 0.00 179.25 180.78 2kly h SER 141 N 0.20 0.75 0.81 0.00 0.02 -0.89 -1.74 113.55 112.71 2kly h SER 141 Ca -0.01 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2kly h SER 141 Cb 1.13 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2kly h SER 141 CO 0.10 0.83 -0.43 0.50 -1.14 0.00 0.00 176.83 176.69 2kly h LYS 142 N 0.65 -1.10 -0.09 3.45 3.11 -0.48 -0.96 116.57 121.15 2kly h LYS 142 Ca 0.14 0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 58.01 2kly h LYS 142 Cb 0.41 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 2kly h LYS 142 CO 0.01 -0.73 -0.15 0.52 -2.81 0.00 0.00 179.45 176.29 2kly h MET 143 N -1.14 0.14 -0.14 1.90 2.86 -1.48 0.16 114.93 117.23 2kly h MET 143 Ca -0.11 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2kly h MET 143 Cb 0.89 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 2kly h MET 143 CO 0.16 0.30 -0.11 2.35 1.06 0.00 0.00 176.91 180.67 2kly h TRP 144 N 0.13 0.37 -0.08 -0.22 -0.00 -1.24 0.24 115.95 115.15 2kly h TRP 144 Ca 0.03 -0.10 -0.17 0.00 -0.00 0.00 0.00 58.89 58.64 2kly h TRP 144 Cb 0.35 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.43 2kly h TRP 144 CO 0.00 0.69 -0.69 -0.09 -0.00 0.00 0.00 178.44 178.35 2kly h ARG 145 N -0.05 0.35 -0.08 2.65 2.43 -0.84 -3.10 114.38 115.75 2kly h ARG 145 Ca 0.03 -0.28 -0.21 0.00 -0.81 0.00 0.00 59.98 58.70 2kly h ARG 145 Cb 0.61 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2kly h ARG 145 CO 0.03 0.91 -0.79 0.22 -1.51 0.00 0.00 179.97 178.83 2kly h ASP 146 N 0.25 0.83 -1.98 -3.80 3.58 -0.72 -3.43 116.42 111.15 2kly h ASP 146 Ca -0.02 -0.68 -0.26 0.00 0.42 0.00 0.00 57.03 56.48 2kly h ASP 146 Cb 1.25 -0.25 -0.31 0.00 1.72 0.00 0.00 39.33 41.74 2kly h ASP 146 CO 0.12 1.39 -0.59 -0.62 -2.88 0.00 0.00 179.24 176.66 2kly s ASP 147 N -7.04 1.06 0.21 2.28 -1.08 0.07 -5.00 116.67 107.17 2kly s ASP 147 Ca -0.11 -0.51 0.16 0.00 -0.52 0.00 0.00 52.55 51.57 2kly s ASP 147 Cb 0.07 0.78 0.81 0.00 -1.46 0.00 0.00 42.92 43.12 2kly s ASP 147 CO 0.89 -0.37 1.48 -2.11 0.52 0.00 0.00 175.17 175.58 2kly n ARG 148 N 5.33 0.10 -0.04 4.34 1.85 -1.18 -2.03 116.66 125.03 2kly n ARG 148 Ca -0.01 0.56 -0.15 0.00 -1.00 0.00 0.00 57.85 57.25 2kly n ARG 148 Cb 0.48 -1.80 -0.14 0.00 -1.05 0.00 0.00 32.46 29.94 2kly n ARG 148 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kly n GLU 149 N -2.02 0.69 -0.36 2.89 2.13 -1.26 -2.19 120.64 120.52 2kly n GLU 149 Ca -0.00 0.21 -0.02 0.00 0.66 0.00 0.00 57.16 58.00 2kly n GLU 149 Cb 0.05 -1.68 0.10 0.00 0.27 0.00 0.00 31.44 30.19 2kly n GLU 149 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2kly h GLN 150 N 0.02 1.26 -0.30 5.31 5.75 -1.71 -1.31 115.11 124.15 2kly h GLN 150 Ca -0.42 -0.08 -0.18 0.00 -0.15 0.00 0.00 58.65 57.82 2kly h GLN 150 Cb 2.04 -0.28 -0.00 0.00 1.07 0.00 0.00 27.48 30.31 2kly h GLN 150 CO 0.05 0.84 -0.53 0.35 -2.65 0.00 0.00 178.83 176.88 2kly h PHE 151 N 1.30 1.09 -0.41 3.99 3.57 -1.56 -2.66 116.94 122.26 2kly h PHE 151 Ca 0.35 -0.38 0.07 0.00 3.53 0.00 0.00 57.97 61.54 2kly h PHE 151 Cb -0.14 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.33 2kly h PHE 151 CO -0.00 1.21 0.07 1.88 -2.23 0.00 0.00 178.31 179.24 2kly h TYR 152 N 0.67 0.11 -0.64 0.41 0.05 -0.95 0.24 116.97 116.88 2kly h TYR 152 Ca 0.02 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 2kly h TYR 152 Cb 1.14 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 2kly h TYR 152 CO 0.07 -0.00 0.10 1.57 -1.05 0.00 0.00 178.16 178.85 2kly h LYS 153 N 0.20 1.06 -0.98 4.88 2.10 -1.25 -1.92 116.57 120.65 2kly h LYS 153 Ca 0.20 -0.29 0.01 0.00 -2.00 0.00 0.00 60.65 58.57 2kly h LYS 153 Cb 0.25 -0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 31.41 2kly h LYS 153 CO -0.27 0.98 0.64 0.82 -2.00 0.00 0.00 179.45 179.62 2kly h ILE 154 N 0.97 1.25 -0.27 0.07 2.04 -1.06 0.01 117.51 120.52 2kly h ILE 154 Ca 0.19 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.59 2kly h ILE 154 Cb 0.44 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2kly h ILE 154 CO 0.01 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.56 2kly h ALA 155 N 1.38 0.33 -0.43 1.87 0.00 0.04 0.16 119.26 122.60 2kly h ALA 155 Ca 0.36 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 2kly h ALA 155 Cb -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2kly h ALA 155 CO -0.08 -0.24 -0.01 0.87 0.00 0.00 0.00 179.25 179.79 2kly h LYS 156 N 0.30 0.70 -0.44 0.00 1.57 -0.95 -0.53 116.57 117.23 2kly h LYS 156 Ca 0.11 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2kly h LYS 156 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2kly h LYS 156 CO -0.06 0.72 0.24 0.37 -0.57 0.00 0.00 179.45 180.16 2kly h GLN 157 N 0.66 0.61 -0.08 3.15 4.15 -0.27 -1.04 115.11 122.30 2kly h GLN 157 Ca 0.13 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 2kly h GLN 157 Cb 0.42 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2kly h GLN 157 CO 0.02 0.49 -0.33 0.82 -1.93 0.00 0.00 178.83 177.90 2kly h ILE 158 N 0.57 1.26 -0.87 2.39 1.08 -0.26 -0.89 117.51 120.79 2kly h ILE 158 Ca 0.15 -1.24 0.01 0.00 -0.39 0.00 0.00 64.86 63.39 2kly h ILE 158 Cb 0.05 1.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.33 2kly h ILE 158 CO -0.02 0.37 0.57 0.58 -0.69 0.00 0.00 178.15 178.95 2kly h VAL 159 N 0.13 1.23 -0.24 1.67 2.07 -0.49 0.13 116.25 120.74 2kly h VAL 159 Ca 0.02 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2kly h VAL 159 Cb 0.64 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2kly h VAL 159 CO 0.05 0.22 0.06 1.56 0.02 0.00 0.00 177.57 179.47 2kly h GLN 160 N 1.18 0.39 -0.79 1.57 4.20 -0.36 -2.60 115.11 118.68 2kly h GLN 160 Ca 0.32 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2kly h GLN 160 Cb -0.12 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 2kly h GLN 160 CO -0.07 0.49 0.37 0.87 -0.67 0.00 0.00 178.83 179.82 2kly h LYS 161 N 0.21 1.15 -0.06 1.46 1.57 -0.74 0.32 116.57 120.48 2kly h LYS 161 Ca 0.07 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2kly h LYS 161 Cb 0.28 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2kly h LYS 161 CO 0.00 0.90 -0.27 0.66 -0.57 0.00 0.00 179.45 180.18 2kly h SER 162 N 1.13 0.11 0.88 0.86 4.64 -0.74 -1.86 113.55 118.58 2kly h SER 162 Ca 0.27 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.36 2kly h SER 162 Cb 0.14 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2kly h SER 162 CO -0.03 0.38 -0.95 -0.07 -0.87 0.00 0.00 176.83 175.29 2kly h LEU 163 N 0.10 0.05 0.00 5.97 3.38 -0.96 -3.46 115.31 120.39 2kly h LEU 163 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kly h LEU 163 Cb 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2kly h LEU 163 CO 0.04 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2kly n GLY 164 N 1.16 0.92 0.00 0.83 0.00 0.80 -5.10 105.19 103.79 2kly n GLY 164 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36