#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kly n ALA 2 N 0.00 0.00 0.00 3.04 0.00 -0.54 -4.86 120.51 118.14 2kly n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kly n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kly n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kly n GLY 3 N 0.00 1.74 0.24 0.00 0.00 -1.26 -4.07 105.19 101.83 2kly n GLY 3 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2kly n GLY 3 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kly h THR 4 N 0.00 1.23 0.26 2.61 2.02 -1.89 -0.38 112.91 116.76 2kly h THR 4 Ca 0.00 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2kly h THR 4 Cb 0.00 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2kly h THR 4 CO 0.00 0.33 -0.28 0.00 0.37 0.00 0.00 175.52 175.95 2kly h ALA 5 N 1.46 -0.57 -0.18 6.16 0.00 -1.63 -2.24 119.26 122.26 2kly h ALA 5 Ca 0.06 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kly h ALA 5 Cb 0.52 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2kly h ALA 5 CO 0.03 -0.85 -0.14 -0.07 0.00 0.00 0.00 179.25 178.22 2kly h LEU 6 N -0.58 -0.44 -1.29 0.00 3.38 -1.72 -1.57 115.31 113.08 2kly h LEU 6 Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2kly h LEU 6 Cb 0.54 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2kly h LEU 6 CO -0.07 -0.18 0.25 0.07 0.09 0.00 0.00 178.44 178.60 2kly h LYS 7 N -0.14 0.73 -0.21 1.13 2.10 -0.99 0.22 116.57 119.41 2kly h LYS 7 Ca 0.11 -0.09 -0.06 0.00 -2.00 0.00 0.00 60.65 58.61 2kly h LYS 7 Cb 0.31 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.49 2kly h LYS 7 CO -0.27 0.57 -0.11 -0.09 -2.00 0.00 0.00 179.45 177.56 2kly h ARG 8 N 0.73 0.44 0.00 0.07 9.65 -1.15 -1.65 114.38 122.48 2kly h ARG 8 Ca 0.18 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2kly h ARG 8 Cb 0.08 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2kly h ARG 8 CO -0.02 0.73 -0.06 -0.07 2.80 0.00 0.00 179.97 183.34 2kly h LEU 9 N 0.14 0.00 -0.16 3.80 3.38 -0.59 0.12 115.31 122.00 2kly h LEU 9 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2kly h LEU 9 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kly h LEU 9 CO 0.03 0.06 -0.69 0.24 0.09 0.00 0.00 178.44 178.18 2kly h MET 10 N 0.00 0.76 -0.41 1.13 2.86 -0.32 0.16 114.93 119.11 2kly h MET 10 Ca -0.00 -0.59 -0.03 0.00 -2.06 0.00 0.00 59.70 57.01 2kly h MET 10 Cb 0.14 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2kly h MET 10 CO 0.01 1.21 0.13 0.00 1.06 0.00 0.00 176.91 179.32 2kly h ALA 11 N 0.55 0.54 -0.33 6.32 0.00 -0.32 0.12 119.26 126.14 2kly h ALA 11 Ca -0.04 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2kly h ALA 11 Cb 1.32 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2kly h ALA 11 CO 0.14 0.18 0.11 0.93 0.00 0.00 0.00 179.25 180.61 2kly h GLU 12 N 0.52 0.24 0.10 0.00 4.39 -0.77 -1.15 114.58 117.90 2kly h GLU 12 Ca 0.13 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2kly h GLU 12 Cb 0.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2kly h GLU 12 CO -0.00 0.16 -0.34 -0.92 -1.16 0.00 0.00 179.01 176.74 2kly h TYR 13 N 0.24 -0.99 -0.57 4.33 3.20 -0.34 0.05 116.97 122.90 2kly h TYR 13 Ca 0.15 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.16 2kly h TYR 13 Cb 0.13 0.42 -0.09 0.00 1.54 0.00 0.00 36.73 38.73 2kly h TYR 13 CO -0.15 -0.39 0.01 0.87 -1.64 0.00 0.00 178.16 176.86 2kly h LYS 14 N -0.50 0.12 -0.03 1.82 1.57 -0.62 -0.71 116.57 118.23 2kly h LYS 14 Ca -0.01 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2kly h LYS 14 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2kly h LYS 14 CO -0.18 0.08 -0.51 1.96 -0.57 0.00 0.00 179.45 180.23 2kly h GLN 15 N 0.13 0.07 0.00 3.15 7.50 -1.04 0.14 115.11 125.05 2kly h GLN 15 Ca 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.40 2kly h GLN 15 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 2kly h GLN 15 CO -0.48 0.57 0.00 1.28 -1.50 0.00 0.00 178.83 178.70 2kly n LEU 16 N -3.93 0.00 -0.12 1.46 4.77 -0.01 0.59 117.00 119.76 2kly n LEU 16 Ca -0.02 0.31 -0.25 0.00 -0.03 0.00 0.00 56.01 56.02 2kly n LEU 16 Cb 0.53 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 2kly n LEU 16 CO 0.41 -0.12 -1.24 0.41 -1.33 0.00 0.00 177.39 175.52 2kly n THR 17 N -1.31 1.54 0.08 -5.08 -1.04 0.11 -4.33 114.28 104.27 2kly n THR 17 Ca 0.08 -0.41 -0.05 0.00 -2.04 0.00 0.00 64.05 61.62 2kly n THR 17 Cb 0.15 -1.76 0.11 0.00 -1.82 0.00 0.00 70.33 67.01 2kly n THR 17 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2kly h LEU 18 N -0.62 0.27 -7.12 -4.42 4.07 -0.67 -3.41 115.31 103.42 2kly h LEU 18 Ca -0.60 -0.16 -0.59 0.00 0.08 0.00 0.00 57.88 56.62 2kly h LEU 18 Cb 1.69 -0.08 -0.40 0.00 1.08 0.00 0.00 40.66 42.95 2kly h LEU 18 CO -0.26 0.83 -0.76 0.20 -1.08 0.00 0.00 178.44 177.38 2kly s ASN 19 N -6.90 3.96 -0.60 -0.43 0.01 0.20 -5.08 114.94 106.10 2kly s ASN 19 Ca -0.04 -1.76 -0.23 0.00 -0.71 0.00 0.00 52.86 50.12 2kly s ASN 19 Cb 0.12 -0.87 0.06 0.00 0.41 0.00 0.00 41.25 40.97 2kly s ASN 19 CO 0.80 -0.40 0.93 -2.16 -1.51 0.00 0.00 177.10 174.76 2kly s PRO 20 N 1.46 3.20 0.63 -0.60 0.05 -1.26 -4.18 135.00 134.30 2kly s PRO 20 Ca 0.11 -0.61 -0.17 0.00 0.05 0.00 0.00 61.00 60.37 2kly s PRO 20 Cb -0.18 -4.15 -0.02 0.00 0.05 0.00 0.00 34.50 30.21 2kly s PRO 20 CO -0.22 -1.64 1.19 -1.25 0.05 0.00 0.00 177.00 175.13 2kly s PRO 21 N 3.91 2.79 0.46 0.56 0.04 -1.26 -4.99 135.00 136.51 2kly s PRO 21 Ca 0.25 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 2kly s PRO 21 Cb -0.15 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 2kly s PRO 21 CO 0.14 -1.33 1.08 -1.21 0.04 0.00 0.00 177.00 175.73 2kly s GLU 22 N -3.58 3.84 0.00 4.56 2.02 -1.26 -3.37 118.70 120.91 2kly s GLU 22 Ca 0.75 1.54 0.00 0.00 0.02 0.00 0.00 54.97 57.28 2kly s GLU 22 Cb -0.28 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2kly s GLU 22 CO 0.37 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2kly n GLY 23 N 0.15 2.37 3.09 -1.39 0.00 -1.26 -4.95 105.19 103.20 2kly n GLY 23 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.93 1.71 -0.26 -0.61 1.09 -1.22 -0.44 121.20 119.55 2kly s ILE 24 Ca 0.00 -0.76 0.01 0.00 -1.10 0.00 0.00 60.65 58.80 2kly s ILE 24 Cb 0.00 -1.55 0.07 0.00 -1.06 0.00 0.00 42.46 39.92 2kly s ILE 24 CO 0.00 0.48 -0.00 -0.69 -0.10 0.00 0.00 174.94 174.63 2kly s VAL 25 N 1.04 1.42 -0.10 2.92 1.01 -0.91 -4.51 120.40 121.27 2kly s VAL 25 Ca -0.04 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 2kly s VAL 25 Cb -0.15 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.44 2kly s VAL 25 CO -0.04 -0.30 0.23 0.00 0.00 0.00 0.00 175.10 174.99 2kly s ALA 26 N 1.41 -0.54 0.24 5.51 0.00 -1.26 0.64 121.76 127.76 2kly s ALA 26 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 2kly s ALA 26 Cb -0.18 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2kly s ALA 26 CO -0.10 -0.16 0.46 0.20 0.00 0.00 0.00 175.76 176.15 2kly s GLY 27 N 0.85 0.52 0.24 0.00 0.00 -0.30 -4.98 107.32 103.66 2kly s GLY 27 Ca -0.06 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 2kly s GLY 27 CO -0.05 -0.64 1.30 2.56 0.00 0.00 0.00 173.10 176.27 2kly s PRO 28 N -4.01 4.39 -0.58 2.90 0.04 -1.26 -0.42 135.00 136.06 2kly s PRO 28 Ca 0.22 2.09 -0.23 0.00 0.04 0.00 0.00 61.00 63.12 2kly s PRO 28 Cb -0.00 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.43 2kly s PRO 28 CO 0.08 -0.21 0.90 1.41 0.04 0.00 0.00 177.00 179.22 2kly s MET 29 N -0.59 3.22 0.05 4.56 1.75 0.96 -4.66 119.30 124.59 2kly s MET 29 Ca 0.54 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.42 2kly s MET 29 Cb -0.37 -4.12 0.00 0.00 2.84 0.00 0.00 34.83 33.18 2kly s MET 29 CO 0.42 -1.56 0.00 -1.71 -0.65 0.00 0.00 175.02 171.52 2kly n ASN 30 N 7.35 -4.40 0.18 1.11 5.15 -1.26 -4.43 115.26 118.95 2kly n ASN 30 Ca -0.02 0.52 0.09 0.00 -0.60 0.00 0.00 54.58 54.57 2kly n ASN 30 Cb 0.46 -2.38 0.48 0.00 -0.53 0.00 0.00 39.78 37.82 2kly n ASN 30 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2kly h GLU 31 N 1.44 0.00 0.00 1.20 5.08 -1.97 -1.29 114.58 119.05 2kly h GLU 31 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kly h GLU 31 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kly h GLU 31 CO 0.00 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 178.94 2kly h GLU 32 N 0.00 -0.00 -4.67 2.33 5.08 -1.98 -3.41 114.58 111.93 2kly h GLU 32 Ca 0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 2kly h GLU 32 Cb 0.37 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.43 2kly h GLU 32 CO 0.00 0.75 0.89 1.21 -1.00 0.00 0.00 179.01 180.86 2kly s ASN 33 N -6.05 6.85 0.00 1.42 2.47 -0.48 -4.79 114.94 114.36 2kly s ASN 33 Ca -0.15 -2.57 0.26 0.00 0.42 0.00 0.00 52.86 50.83 2kly s ASN 33 Cb -0.02 -2.36 1.47 0.00 -1.45 0.00 0.00 41.25 38.89 2kly s ASN 33 CO 0.53 -0.83 1.91 0.33 -3.72 0.00 0.00 177.10 175.32 2kly n PHE 34 N 5.62 0.00 1.03 0.43 7.35 -1.26 -2.44 117.46 128.19 2kly n PHE 34 Ca 0.27 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 57.06 2kly n PHE 34 Cb 0.46 -0.12 0.32 0.00 0.35 0.00 0.00 39.48 40.49 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 -1.12 0.29 -3.86 -5.13 3.72 -1.26 -4.74 117.46 105.36 2kly n PHE 35 Ca 0.17 -0.15 -0.25 0.00 -0.05 0.00 0.00 57.45 57.17 2kly n PHE 35 Cb 0.14 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.51 2kly n PHE 35 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2kly s GLU 36 N -1.71 1.11 0.13 -1.08 2.12 -1.02 -0.02 118.70 118.24 2kly s GLU 36 Ca 0.32 -0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.63 2kly s GLU 36 Cb 0.18 -1.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 2kly s GLU 36 CO 0.26 -0.28 -0.17 -1.58 -0.54 0.00 0.00 175.26 172.96 2kly s TRP 37 N 1.80 1.60 0.03 5.30 0.52 -0.59 -0.03 118.94 127.57 2kly s TRP 37 Ca 0.04 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 55.72 2kly s TRP 37 Cb -0.12 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.33 2kly s TRP 37 CO -0.07 0.21 -0.13 -2.00 0.02 0.00 0.00 176.95 174.99 2kly s GLU 38 N -2.55 2.29 0.03 4.98 2.12 0.45 -1.24 118.70 124.77 2kly s GLU 38 Ca 0.10 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.57 2kly s GLU 38 Cb -0.06 -2.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 2kly s GLU 38 CO 0.04 0.56 -0.05 0.00 -0.54 0.00 0.00 175.26 175.28 2kly s ALA 39 N -0.98 0.28 -0.22 6.30 0.00 0.72 -1.15 121.76 126.71 2kly s ALA 39 Ca 0.16 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 2kly s ALA 39 Cb -0.11 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2kly s ALA 39 CO 0.07 -0.09 -0.08 -0.51 0.00 0.00 0.00 175.76 175.15 2kly s LEU 40 N -1.35 2.86 -0.59 0.00 1.02 0.21 -0.21 118.68 120.62 2kly s LEU 40 Ca -0.12 -0.61 -0.12 0.00 0.02 0.00 0.00 54.13 53.29 2kly s LEU 40 Cb -0.09 -1.66 0.15 0.00 0.02 0.00 0.00 46.19 44.61 2kly s LEU 40 CO -0.00 -0.06 0.51 -0.63 0.02 0.00 0.00 176.35 176.19 2kly s ILE 41 N 1.39 4.84 -0.25 -0.59 -1.09 0.58 -2.15 121.20 123.92 2kly s ILE 41 Ca 0.04 -1.96 -0.29 0.00 -2.23 0.00 0.00 60.65 56.21 2kly s ILE 41 Cb -0.15 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2kly s ILE 41 CO -0.05 -0.88 1.24 -0.04 -1.23 0.00 0.00 174.94 173.97 2kly s MET 42 N 1.03 4.07 0.14 2.79 -1.94 0.42 -0.88 119.30 124.92 2kly s MET 42 Ca 0.09 1.37 -0.34 0.00 -1.71 0.00 0.00 55.69 55.09 2kly s MET 42 Cb -0.23 -3.80 -0.14 0.00 2.01 0.00 0.00 34.83 32.66 2kly s MET 42 CO -0.02 -0.92 1.56 0.41 -0.01 0.00 0.00 175.02 176.05 2kly n GLY 43 N 3.94 1.06 3.65 -0.03 0.00 0.85 -4.80 105.19 109.85 2kly n GLY 43 Ca 0.14 0.67 -0.61 0.00 0.00 0.00 0.00 46.02 46.22 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 3.46 0.44 -2.26 1.61 -0.01 -1.26 -4.30 135.00 132.68 2kly n PRO 44 Ca 0.17 0.16 -0.34 0.00 -0.01 0.00 0.00 63.50 63.48 2kly n PRO 44 Cb 0.28 -1.72 -0.00 0.00 -0.01 0.00 0.00 33.50 32.04 2kly n PRO 44 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 2kly s GLU 45 N 1.87 3.39 -1.23 -0.52 2.02 -1.26 -2.64 118.70 120.34 2kly s GLU 45 Ca 0.96 1.51 0.00 0.00 0.02 0.00 0.00 54.97 57.46 2kly s GLU 45 Cb -1.25 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2kly s GLU 45 CO 0.66 -0.79 0.00 -3.47 0.02 0.00 0.00 175.26 171.67 2kly n ASP 46 N -1.39 -4.28 -4.06 -0.19 2.03 -1.26 -4.96 116.55 102.44 2kly n ASP 46 Ca 0.11 0.11 -0.22 0.00 0.52 0.00 0.00 54.79 55.31 2kly n ASP 46 Cb 0.52 -3.28 -0.09 0.00 -0.72 0.00 0.00 41.12 37.54 2kly n ASP 46 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2kly s THR 47 N -2.60 0.53 0.44 5.18 -4.23 -1.19 -5.04 115.64 108.73 2kly s THR 47 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 2kly s THR 47 Cb 0.00 -2.48 0.29 0.00 1.34 0.00 0.00 72.50 71.65 2kly s THR 47 CO 0.00 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.13 2kly n PHE 49 N -4.48 1.16 0.00 0.00 3.72 -1.26 -3.96 117.46 112.63 2kly n PHE 49 Ca 0.04 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 2kly n PHE 49 Cb 0.17 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 2kly n PHE 49 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kly n GLU 50 N 0.92 0.00 0.21 -1.08 0.28 -1.06 -1.54 120.64 118.37 2kly n GLU 50 Ca 0.22 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.24 2kly n GLU 50 Cb 0.76 -0.12 0.03 0.00 1.43 0.00 0.00 31.44 33.54 2kly n GLU 50 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2kly n PHE 51 N 0.00 0.00 -2.21 -1.84 3.72 -1.26 -2.90 117.46 112.97 2kly n PHE 51 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 2kly n PHE 51 Cb 0.00 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.49 2.97 -0.33 1.37 0.00 -0.59 -4.82 107.32 103.43 2kly s GLY 52 Ca -0.00 1.12 0.04 0.00 0.00 0.00 0.00 44.72 45.88 2kly s GLY 52 CO 0.03 1.72 0.03 0.14 0.00 0.00 0.00 173.10 175.02 2kly s VAL 53 N -1.23 2.22 -0.47 1.40 1.01 -1.26 -0.10 120.40 121.96 2kly s VAL 53 Ca 0.51 -2.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.16 2kly s VAL 53 Cb -0.36 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.52 2kly s VAL 53 CO 0.47 -0.52 0.36 -0.36 0.00 0.00 0.00 175.10 175.05 2kly s PHE 54 N 0.95 3.31 0.36 5.22 0.08 -0.06 -4.74 117.98 123.10 2kly s PHE 54 Ca 0.08 -1.36 -0.25 0.00 0.12 0.00 0.00 56.93 55.52 2kly s PHE 54 Cb -0.19 -3.29 -0.10 0.00 -0.57 0.00 0.00 43.02 38.88 2kly s PHE 54 CO -0.08 -0.89 0.99 -1.25 -0.10 0.00 0.00 175.22 173.88 2kly s PRO 55 N 1.51 4.39 0.14 0.24 0.04 -1.26 -0.31 135.00 139.76 2kly s PRO 55 Ca 0.04 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 62.38 2kly s PRO 55 Cb -0.25 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2kly s PRO 55 CO 0.03 0.09 0.23 0.00 0.04 0.00 0.00 177.00 177.39 2kly s ALA 56 N -1.68 0.05 -0.04 8.56 0.00 0.71 -0.61 121.76 128.74 2kly s ALA 56 Ca 0.54 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.66 2kly s ALA 56 Cb -0.19 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 2kly s ALA 56 CO 0.24 -0.59 -0.18 0.42 0.00 0.00 0.00 175.76 175.65 2kly s ILE 57 N -3.95 1.52 -0.19 0.00 1.01 0.54 -0.20 121.20 119.92 2kly s ILE 57 Ca 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2kly s ILE 57 Cb 0.04 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.22 2kly s ILE 57 CO -0.03 0.43 -0.12 -0.76 0.00 0.00 0.00 174.94 174.47 2kly s LEU 58 N -0.06 2.54 -0.81 2.97 1.02 -0.37 -2.00 118.68 121.97 2kly s LEU 58 Ca -0.02 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.56 2kly s LEU 58 Cb -0.11 -1.61 0.21 0.00 0.02 0.00 0.00 46.19 44.69 2kly s LEU 58 CO 0.02 0.00 0.70 -0.55 0.02 0.00 0.00 176.35 176.54 2kly s SER 59 N 1.30 6.08 0.39 2.29 0.15 0.83 -1.53 113.70 123.21 2kly s SER 59 Ca 0.04 -3.14 -0.28 0.00 0.70 0.00 0.00 55.95 53.28 2kly s SER 59 Cb -0.14 -2.00 -0.10 0.00 -1.71 0.00 0.00 66.02 62.06 2kly s SER 59 CO -0.07 -0.36 1.47 -0.36 1.20 0.00 0.00 173.24 175.12 2kly s PHE 60 N -0.50 2.57 0.53 3.44 0.08 0.97 -2.09 117.98 122.99 2kly s PHE 60 Ca 0.22 1.19 -0.06 0.00 0.12 0.00 0.00 56.93 58.40 2kly s PHE 60 Cb -0.13 -4.00 -0.02 0.00 -0.57 0.00 0.00 43.02 38.30 2kly s PHE 60 CO -0.08 -2.96 0.85 -1.25 -0.10 0.00 0.00 175.22 171.69 2kly s PRO 61 N -2.15 3.33 0.43 0.24 0.04 -1.26 -4.80 135.00 130.83 2kly s PRO 61 Ca 0.54 0.19 0.30 0.00 0.04 0.00 0.00 61.00 62.07 2kly s PRO 61 Cb -0.46 -2.31 1.41 0.00 0.04 0.00 0.00 34.50 33.19 2kly s PRO 61 CO 0.62 -0.42 1.90 -0.07 0.04 0.00 0.00 177.00 179.07 2kly h LEU 62 N 0.03 0.00 -3.19 -3.56 3.38 -1.95 -1.41 115.31 108.60 2kly h LEU 62 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kly h LEU 62 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2kly h LEU 62 CO 0.61 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.61 2kly n ASP 63 N -2.63 4.97 -4.73 -0.43 8.00 -1.26 -1.47 116.55 118.99 2kly n ASP 63 Ca -0.00 -2.53 -0.38 0.00 0.71 0.00 0.00 54.79 52.58 2kly n ASP 63 Cb 0.17 -0.61 0.05 0.00 -0.02 0.00 0.00 41.12 40.72 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 1.06 2.08 -0.46 1.24 9.36 -0.53 -0.68 117.16 129.23 2kly n TYR 64 Ca 0.26 0.43 -0.03 0.00 3.32 0.00 0.00 57.90 61.88 2kly n TYR 64 Cb 0.95 -2.32 0.23 0.00 -0.63 0.00 0.00 39.34 37.57 2kly n TYR 64 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2kly n PRO 65 N -1.15 3.09 0.03 2.98 -0.04 -1.26 -2.48 135.00 136.17 2kly n PRO 65 Ca 0.12 -2.23 -0.20 0.00 -0.04 0.00 0.00 63.50 61.14 2kly n PRO 65 Cb 0.45 -1.98 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 2kly n PRO 65 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kly h LEU 66 N 2.17 0.87 -8.91 1.53 3.38 -1.20 -3.35 115.31 109.79 2kly h LEU 66 Ca 0.18 -0.74 -0.69 0.00 0.09 0.00 0.00 57.88 56.72 2kly h LEU 66 Cb 1.87 -0.27 -0.23 0.00 0.09 0.00 0.00 40.66 42.12 2kly h LEU 66 CO 0.53 1.50 -0.81 -0.55 0.09 0.00 0.00 178.44 179.19 2kly s SER 67 N -7.22 3.71 0.50 -0.43 0.15 -0.69 -4.82 113.70 104.91 2kly s SER 67 Ca -0.10 -0.42 -0.22 0.00 0.70 0.00 0.00 55.95 55.91 2kly s SER 67 Cb 0.07 -0.59 -0.06 0.00 -1.71 0.00 0.00 66.02 63.73 2kly s SER 67 CO 0.91 0.27 1.20 -2.84 1.20 0.00 0.00 173.24 173.97 2kly s PRO 68 N -1.30 3.50 0.00 5.44 0.02 -1.26 -4.30 135.00 137.09 2kly s PRO 68 Ca 0.14 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.99 2kly s PRO 68 Cb -0.10 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.16 2kly s PRO 68 CO 0.04 -0.78 0.00 -0.35 -0.33 0.00 0.00 177.00 175.58 2kly n PRO 69 N -0.84 1.79 -4.35 5.54 -0.04 -1.26 -4.72 135.00 131.11 2kly n PRO 69 Ca 0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 2kly n PRO 69 Cb 0.48 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.84 2kly n PRO 69 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kly s LYS 70 N 0.36 2.47 -0.14 0.54 2.20 -0.89 -4.95 119.74 119.33 2kly s LYS 70 Ca 0.00 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 54.76 2kly s LYS 70 Cb 0.00 -2.47 0.06 0.00 -1.51 0.00 0.00 37.83 33.91 2kly s LYS 70 CO 0.00 0.57 0.30 1.41 -0.36 0.00 0.00 175.35 177.27 2kly s MET 71 N -1.72 0.22 0.02 4.03 -2.45 -1.26 -0.12 119.30 118.01 2kly s MET 71 Ca 0.19 0.74 0.00 0.00 -1.25 0.00 0.00 55.69 55.38 2kly s MET 71 Cb -0.11 0.00 -0.02 0.00 1.25 0.00 0.00 34.83 35.95 2kly s MET 71 CO 0.11 -0.23 -0.03 -0.98 1.05 0.00 0.00 175.02 174.93 2kly s ARG 72 N 2.04 0.31 0.02 4.11 1.70 -0.85 -1.64 118.95 124.63 2kly s ARG 72 Ca -0.03 -0.57 -0.22 0.00 -0.47 0.00 0.00 55.73 54.43 2kly s ARG 72 Cb -0.11 0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.27 2kly s ARG 72 CO -0.10 -0.03 0.66 -0.06 -1.08 0.00 0.00 175.30 174.68 2kly s PHE 73 N -1.33 3.71 -2.33 5.89 0.08 -1.14 -0.34 117.98 122.51 2kly s PHE 73 Ca -0.14 1.30 0.21 0.00 0.12 0.00 0.00 56.93 58.42 2kly s PHE 73 Cb -0.09 -2.68 0.63 0.00 -0.57 0.00 0.00 43.02 40.30 2kly s PHE 73 CO -0.01 0.33 1.49 0.25 -0.10 0.00 0.00 175.22 177.18 2kly n THR 74 N 2.72 0.30 -1.79 0.64 -2.24 0.22 -4.77 114.28 109.36 2kly n THR 74 Ca -0.05 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2kly n THR 74 Cb 0.51 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2kly n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kly s GLU 76 N 2.78 1.17 0.13 0.00 -1.05 -1.26 -4.92 118.70 115.55 2kly s GLU 76 Ca 0.00 -1.37 -0.25 0.00 -0.15 0.00 0.00 54.97 53.20 2kly s GLU 76 Cb 0.00 -1.10 0.07 0.00 -0.44 0.00 0.00 34.13 32.66 2kly s GLU 76 CO 0.00 0.21 0.80 1.41 0.95 0.00 0.00 175.26 178.63 2kly s MET 77 N -2.91 1.20 -0.30 -4.83 1.75 -1.26 -4.76 119.30 108.19 2kly s MET 77 Ca 0.14 -0.55 -0.02 0.00 -1.25 0.00 0.00 55.69 54.01 2kly s MET 77 Cb -0.04 0.48 0.10 0.00 2.84 0.00 0.00 34.83 38.21 2kly s MET 77 CO 0.05 -0.54 0.10 0.12 -0.65 0.00 0.00 175.02 174.10 2kly s PHE 78 N -3.47 1.29 -0.14 4.11 5.36 -1.26 -4.91 117.98 118.96 2kly s PHE 78 Ca 0.07 -1.45 -0.10 0.00 -0.96 0.00 0.00 56.93 54.49 2kly s PHE 78 Cb -0.02 -1.45 0.05 0.00 -0.34 0.00 0.00 43.02 41.25 2kly s PHE 78 CO -0.05 -0.85 0.36 -1.58 -1.46 0.00 0.00 175.22 171.64 2kly s HIS 79 N 1.76 -0.46 0.46 10.12 2.46 -1.26 -4.85 115.29 123.52 2kly s HIS 79 Ca 0.09 1.05 0.12 0.00 0.47 0.00 0.00 55.06 56.79 2kly s HIS 79 Cb -0.17 0.17 1.04 0.00 -0.13 0.00 0.00 32.58 33.49 2kly s HIS 79 CO -0.27 -0.25 2.06 -1.00 -2.47 0.00 0.00 174.74 172.81 2kly h PRO 80 N 6.46 0.18 -0.85 2.88 0.13 -1.83 -0.56 132.00 138.41 2kly h PRO 80 Ca -0.33 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 2kly h PRO 80 Cb 1.18 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 2kly h PRO 80 CO 0.30 0.18 0.12 -1.71 -0.23 0.00 0.00 178.00 176.66 2kly n ASN 81 N -4.45 3.48 -3.93 1.44 5.15 -1.26 -0.22 115.26 115.47 2kly n ASN 81 Ca -0.01 -2.61 -0.12 0.00 -0.60 0.00 0.00 54.58 51.23 2kly n ASN 81 Cb 0.13 -0.63 -0.13 0.00 -0.53 0.00 0.00 39.78 38.63 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 -1.87 0.16 0.59 -1.44 1.01 -0.22 -4.28 121.20 115.15 2kly s ILE 82 Ca 0.29 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 2kly s ILE 82 Cb 0.23 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.46 2kly s ILE 82 CO 0.08 -0.11 1.02 -0.31 0.00 0.00 0.00 174.94 175.61 2kly s TYR 83 N -0.45 3.46 -0.49 3.97 1.51 -0.83 -4.07 117.35 120.45 2kly s TYR 83 Ca -0.04 1.38 0.25 0.00 -1.01 0.00 0.00 57.07 57.66 2kly s TYR 83 Cb -0.03 -2.79 0.94 0.00 -0.11 0.00 0.00 41.96 39.97 2kly s TYR 83 CO -0.00 -0.67 1.76 -1.00 -1.11 0.00 0.00 175.55 174.52 2kly h PRO 84 N 0.13 0.00 -0.04 -1.71 0.13 -1.88 -0.80 132.00 127.82 2kly h PRO 84 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kly h PRO 84 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kly h PRO 84 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 2kly n ASP 85 N -2.39 0.84 0.00 1.44 5.75 -1.26 -4.91 116.55 116.03 2kly n ASP 85 Ca 0.03 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2kly n ASP 85 Cb 0.31 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2kly n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kly n GLY 86 N 1.05 3.32 3.56 6.12 0.00 -0.31 -4.83 105.19 114.10 2kly n GLY 86 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 2kly n GLY 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kly n ARG 87 N -1.60 0.96 -3.36 1.61 0.63 -1.25 -2.89 116.66 110.75 2kly n ARG 87 Ca 0.00 0.34 -0.39 0.00 -0.92 0.00 0.00 57.85 56.88 2kly n ARG 87 Cb 0.00 -1.82 -0.09 0.00 0.45 0.00 0.00 32.46 31.00 2kly n ARG 87 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2kly s VAL 88 N -0.16 5.15 -0.25 5.15 1.01 -0.65 -1.96 120.40 128.68 2kly s VAL 88 Ca 0.76 0.59 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2kly s VAL 88 Cb -0.91 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 31.81 2kly s VAL 88 CO 0.52 0.12 -0.00 0.00 0.00 0.00 0.00 175.10 175.75 2kly s ILE 90 N 1.44 0.15 0.24 0.00 -4.36 -1.26 -4.82 121.20 112.59 2kly s ILE 90 Ca -0.01 -1.26 -0.05 0.00 -0.26 0.00 0.00 60.65 59.07 2kly s ILE 90 Cb -0.18 -1.11 0.22 0.00 1.25 0.00 0.00 42.46 42.63 2kly s ILE 90 CO -0.10 -0.70 1.70 0.77 0.24 0.00 0.00 174.94 176.85 2kly h SER 91 N 3.38 0.10 0.00 4.36 4.64 -1.89 0.17 113.55 124.31 2kly h SER 91 Ca -0.33 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2kly h SER 91 Cb 1.18 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2kly h SER 91 CO 0.55 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.52 2kly n ILE 92 N -5.10 0.00 -2.01 0.95 3.06 -1.24 -1.75 119.36 113.26 2kly n ILE 92 Ca 0.13 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.38 2kly n ILE 92 Cb 0.43 -0.43 -0.00 0.00 0.54 0.00 0.00 39.64 40.17 2kly n ILE 92 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2kly n LEU 93 N 0.06 -0.01 -0.00 9.51 4.77 0.51 -4.18 117.00 127.67 2kly n LEU 93 Ca 0.00 -1.05 -0.02 0.00 -0.03 0.00 0.00 56.01 54.90 2kly n LEU 93 Cb 0.21 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2kly n LEU 93 CO 0.00 0.71 -0.18 1.57 -1.33 0.00 0.00 177.39 178.15 2kly n HIS 94 N 0.01 0.00 -3.62 -1.77 -0.00 -0.62 -4.68 115.22 104.54 2kly n HIS 94 Ca -0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2kly n HIS 94 Cb 0.60 -0.13 -0.07 0.00 -0.12 0.00 0.00 29.99 30.27 2kly n HIS 94 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kly s ALA 95 N -2.37 -1.85 -1.71 1.57 0.00 -1.24 -4.79 121.76 111.37 2kly s ALA 95 Ca -0.08 1.88 0.23 0.00 0.00 0.00 0.00 51.96 53.99 2kly s ALA 95 Cb 0.01 -1.12 1.25 0.00 0.00 0.00 0.00 23.12 23.26 2kly s ALA 95 CO 0.12 -0.31 1.73 -2.30 0.00 0.00 0.00 175.76 175.00 2kly n PRO 96 N 2.24 0.52 -2.20 0.00 -0.02 -1.26 -3.08 135.00 131.19 2kly n PRO 96 Ca -0.14 0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.37 2kly n PRO 96 Cb 0.56 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.58 2kly n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kly n GLY 97 N 0.52 2.31 3.88 -1.23 0.00 -1.26 -4.91 105.19 104.50 2kly n GLY 97 Ca 0.14 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.21 6.59 -0.30 1.61 2.15 -1.18 -5.07 116.67 117.26 2kly s ASP 98 Ca 0.33 0.89 -0.09 0.00 0.43 0.00 0.00 52.55 54.10 2kly s ASP 98 Cb 0.35 -2.21 -0.01 0.00 -0.30 0.00 0.00 42.92 40.75 2kly s ASP 98 CO -0.07 -0.10 0.14 -0.62 -0.17 0.00 0.00 175.17 174.35 2kly s ASP 99 N -2.50 5.48 -0.09 -0.34 2.15 -1.26 -5.02 116.67 115.09 2kly s ASP 99 Ca 0.47 -0.48 -0.38 0.00 0.43 0.00 0.00 52.55 52.59 2kly s ASP 99 Cb -0.11 -1.99 -0.15 0.00 -0.30 0.00 0.00 42.92 40.37 2kly s ASP 99 CO 0.23 -0.17 1.60 -2.65 -0.17 0.00 0.00 175.17 174.01 2kly n PRO 100 N 4.97 1.36 0.02 4.34 -0.02 -1.26 -4.89 135.00 139.52 2kly n PRO 100 Ca -0.14 0.49 -0.19 0.00 -2.02 0.00 0.00 63.50 61.65 2kly n PRO 100 Cb 0.49 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 2kly n PRO 100 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2kly h MET 101 N 6.41 0.47 0.00 -0.52 2.86 -2.02 -3.41 114.93 118.71 2kly h MET 101 Ca -0.47 -0.54 0.00 0.00 -2.06 0.00 0.00 59.70 56.63 2kly h MET 101 Cb 1.31 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.14 2kly h MET 101 CO 0.89 1.18 -0.05 0.41 1.06 0.00 0.00 176.91 180.40 2kly n GLY 102 N 1.17 0.53 3.83 8.32 0.00 -1.26 -5.12 105.19 112.67 2kly n GLY 102 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.27 -0.01 1.61 2.02 -1.26 -4.08 117.35 118.89 2kly s TYR 103 Ca 0.00 1.48 -0.05 0.00 -0.37 0.00 0.00 57.07 58.13 2kly s TYR 103 Cb 0.00 -2.88 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 2kly s TYR 103 CO 0.00 -0.67 0.11 -1.21 -1.57 0.00 0.00 175.55 172.21 2kly s GLU 104 N -4.07 0.36 0.00 -0.62 2.02 -1.26 -4.93 118.70 110.19 2kly s GLU 104 Ca 0.61 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.35 2kly s GLU 104 Cb -0.12 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2kly s GLU 104 CO 0.33 -0.08 0.00 0.45 0.02 0.00 0.00 175.26 175.99 2kly n SER 105 N 1.96 0.00 -4.56 -0.19 2.88 -1.26 -4.65 113.62 107.80 2kly n SER 105 Ca -0.20 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.01 2kly n SER 105 Cb 0.57 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2kly n SER 105 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kly s SER 106 N -2.32 5.37 -0.02 -3.46 0.01 -1.26 -4.50 113.70 107.51 2kly s SER 106 Ca 0.00 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 56.93 2kly s SER 106 Cb 0.00 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.80 2kly s SER 106 CO 0.00 -2.45 1.07 0.00 0.41 0.00 0.00 173.24 172.27 2kly n ALA 107 N 12.82 3.41 -1.39 1.44 0.00 -1.26 -4.72 120.51 130.80 2kly n ALA 107 Ca 0.31 -1.08 -0.29 0.00 0.00 0.00 0.00 53.44 52.38 2kly n ALA 107 Cb 0.49 -0.45 0.14 0.00 0.00 0.00 0.00 19.45 19.63 2kly n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kly s GLU 108 N -0.06 1.17 0.63 0.00 2.02 -1.26 -4.93 118.70 116.27 2kly s GLU 108 Ca 0.08 0.50 -0.11 0.00 0.02 0.00 0.00 54.97 55.47 2kly s GLU 108 Cb 0.11 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.49 2kly s GLU 108 CO -0.04 -2.22 1.02 1.03 0.02 0.00 0.00 175.26 175.07 2kly s ARG 109 N -5.12 3.46 0.21 1.61 1.81 -1.26 -3.67 118.95 115.99 2kly s ARG 109 Ca 0.63 0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 55.21 2kly s ARG 109 Cb -0.16 -2.09 0.16 0.00 -0.45 0.00 0.00 34.95 32.41 2kly s ARG 109 CO 0.55 -0.63 1.81 0.11 -0.68 0.00 0.00 175.30 176.47 2kly h TRP 110 N -0.34 1.13 0.00 -0.53 5.08 -1.79 -3.42 115.95 116.08 2kly h TRP 110 Ca -0.44 -0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.48 2kly h TRP 110 Cb 1.20 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 2kly h TRP 110 CO 0.63 0.81 0.00 -1.13 -1.28 0.00 0.00 178.44 177.47 2kly n SER 111 N -4.37 0.00 -0.06 0.11 3.41 -1.26 -4.77 113.62 106.68 2kly n SER 111 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.62 2kly n SER 111 Cb 0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 2kly n SER 111 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2kly h PRO 112 N 0.00 0.00 0.00 4.33 0.11 -1.82 -3.38 132.00 131.24 2kly h PRO 112 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2kly h PRO 112 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2kly h PRO 112 CO 0.00 0.42 -0.52 -0.24 -0.21 0.00 0.00 178.00 177.45 2kly h VAL 113 N -1.00 0.44 -3.85 3.15 3.04 -1.93 -3.48 116.25 112.62 2kly h VAL 113 Ca -0.01 -1.66 -0.33 0.00 -1.01 0.00 0.00 66.70 63.70 2kly h VAL 113 Cb 0.45 2.13 0.11 0.00 -2.01 0.00 0.00 31.29 31.97 2kly h VAL 113 CO -0.01 0.25 0.25 0.00 -1.01 0.00 0.00 177.57 177.05 2kly n GLN 114 N -3.08 -0.66 -4.01 4.17 1.13 -1.26 -5.11 117.38 108.56 2kly n GLN 114 Ca 0.01 -1.68 -0.08 0.00 -1.94 0.00 0.00 57.00 53.30 2kly n GLN 114 Cb 0.66 -0.86 -0.10 0.00 0.11 0.00 0.00 30.24 30.05 2kly n GLN 114 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2kly s SER 115 N -4.45 0.32 0.47 1.08 0.01 -1.26 -4.80 113.70 105.08 2kly s SER 115 Ca 0.54 -0.70 0.22 0.00 1.31 0.00 0.00 55.95 57.33 2kly s SER 115 Cb -0.02 0.16 1.23 0.00 0.21 0.00 0.00 66.02 67.61 2kly s SER 115 CO 0.37 -0.46 1.88 -0.37 0.41 0.00 0.00 173.24 175.08 2kly h VAL 116 N 3.88 0.65 -0.48 3.43 -1.51 -1.96 0.17 116.25 120.43 2kly h VAL 116 Ca -0.33 -0.08 -0.06 0.00 -1.23 0.00 0.00 66.70 65.00 2kly h VAL 116 Cb 1.18 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 2kly h VAL 116 CO 0.52 0.04 0.08 -0.08 -1.23 0.00 0.00 177.57 176.90 2kly h GLU 117 N 0.24 0.80 -0.72 5.19 4.81 -1.96 -1.87 114.58 121.07 2kly h GLU 117 Ca 0.43 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2kly h GLU 117 Cb 1.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2kly h GLU 117 CO -0.11 0.81 0.37 -0.22 -0.73 0.00 0.00 179.01 179.13 2kly h LYS 118 N 0.67 1.03 0.27 1.92 3.64 -1.40 -1.82 116.57 120.89 2kly h LYS 118 Ca 0.15 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kly h LYS 118 Cb 0.40 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2kly h LYS 118 CO 0.01 0.79 -0.20 0.82 -2.27 0.00 0.00 179.45 178.60 2kly h ILE 119 N 1.00 0.57 -0.10 2.00 2.04 -1.01 -0.55 117.51 121.46 2kly h ILE 119 Ca 0.25 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.96 2kly h ILE 119 Cb 0.08 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2kly h ILE 119 CO -0.04 0.00 -0.57 -0.07 0.00 0.00 0.00 178.15 177.47 2kly h LEU 120 N -0.48 0.36 -1.05 1.44 4.07 -1.28 -0.75 115.31 117.62 2kly h LEU 120 Ca -0.02 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 2kly h LEU 120 Cb 0.42 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2kly h LEU 120 CO -0.00 0.86 -0.16 -0.07 -1.08 0.00 0.00 178.44 177.99 2kly h LEU 121 N 0.24 0.48 -0.62 1.67 -0.00 -1.26 -1.12 115.31 114.71 2kly h LEU 121 Ca -0.00 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2kly h LEU 121 Cb 1.08 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.59 2kly h LEU 121 CO 0.09 0.66 0.16 -1.28 -0.00 0.00 0.00 178.44 178.07 2kly h SER 122 N 0.45 0.94 -0.89 -0.43 0.87 -0.53 -1.16 113.55 112.80 2kly h SER 122 Ca 0.08 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 2kly h SER 122 Cb 0.54 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 2kly h SER 122 CO 0.03 0.93 0.57 0.58 -0.53 0.00 0.00 176.83 178.41 2kly h VAL 123 N 0.91 1.14 -0.04 2.23 2.07 -0.54 0.69 116.25 122.70 2kly h VAL 123 Ca 0.20 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kly h VAL 123 Cb 0.35 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2kly h VAL 123 CO 0.00 0.20 0.01 0.58 0.02 0.00 0.00 177.57 178.39 2kly h VAL 124 N 1.10 1.16 -0.92 2.57 2.07 -0.81 -0.02 116.25 121.40 2kly h VAL 124 Ca 0.36 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2kly h VAL 124 Cb 0.02 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2kly h VAL 124 CO -0.12 0.13 0.60 -1.28 0.02 0.00 0.00 177.57 176.92 2kly h SER 125 N -0.12 0.93 -0.34 0.57 0.87 -0.95 -1.56 113.55 112.95 2kly h SER 125 Ca 0.01 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2kly h SER 125 Cb 0.20 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2kly h SER 125 CO -0.00 0.59 -0.02 -0.03 -0.53 0.00 0.00 176.83 176.84 2kly h MET 126 N 1.05 0.71 -0.01 2.24 1.85 -0.50 0.22 114.93 120.50 2kly h MET 126 Ca 0.40 -0.19 -0.13 0.00 -0.61 0.00 0.00 59.70 59.17 2kly h MET 126 Cb 0.20 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 2kly h MET 126 CO -0.15 0.74 -0.63 -0.07 -0.40 0.00 0.00 176.91 176.40 2kly h LEU 127 N 0.67 0.02 0.04 3.39 3.38 -0.06 -3.15 115.31 119.60 2kly h LEU 127 Ca 0.13 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 2kly h LEU 127 Cb 0.44 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2kly h LEU 127 CO 0.02 0.64 -1.49 0.00 0.09 0.00 0.00 178.44 177.70 2kly h ALA 128 N 1.36 0.52 -3.24 1.53 0.00 -1.03 -3.42 119.26 114.98 2kly h ALA 128 Ca -0.01 -1.23 -0.64 0.00 0.00 0.00 0.00 54.91 53.03 2kly h ALA 128 Cb 1.11 0.28 -0.41 0.00 0.00 0.00 0.00 17.79 18.77 2kly h ALA 128 CO 0.08 1.37 -0.56 -1.21 0.00 0.00 0.00 179.25 178.94 2kly s GLU 129 N -2.63 2.26 0.00 0.00 2.02 0.74 -4.84 118.70 116.25 2kly s GLU 129 Ca -0.05 -2.90 0.00 0.00 0.02 0.00 0.00 54.97 52.04 2kly s GLU 129 Cb 0.08 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.89 2kly s GLU 129 CO 0.83 -1.18 0.68 -2.30 0.02 0.00 0.00 175.26 173.30 2kly n PRO 130 N 2.71 0.42 -2.58 0.39 -0.02 -1.20 -3.92 135.00 130.81 2kly n PRO 130 Ca 0.11 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.43 2kly n PRO 130 Cb 0.34 -1.29 0.02 0.00 -0.02 0.00 0.00 33.50 32.55 2kly n PRO 130 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2kly n ASN 131 N 1.39 2.76 0.00 2.55 6.94 -1.26 -4.74 115.26 122.90 2kly n ASN 131 Ca 0.00 -3.08 0.15 0.00 -0.02 0.00 0.00 54.58 51.62 2kly n ASN 131 Cb 0.21 -0.50 0.78 0.00 -2.36 0.00 0.00 39.78 37.91 2kly n ASN 131 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2kly n ASP 132 N -0.26 0.00 -0.40 0.53 8.00 -1.25 -5.03 116.55 118.13 2kly n ASP 132 Ca 0.21 -0.23 0.05 0.00 0.71 0.00 0.00 54.79 55.54 2kly n ASP 132 Cb 0.76 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 2kly n ASP 132 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kly n GLU 133 N -1.26 -0.84 -0.54 -1.24 -0.58 -1.26 -4.55 120.64 110.38 2kly n GLU 133 Ca 0.15 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 2kly n GLU 133 Cb 0.23 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 2kly n GLU 133 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kly n SER 134 N -2.35 -3.27 -3.59 1.62 2.88 -1.26 -4.91 113.62 102.75 2kly n SER 134 Ca -0.00 0.51 -0.27 0.00 -1.33 0.00 0.00 58.87 57.78 2kly n SER 134 Cb 0.19 -1.00 -0.10 0.00 -0.75 0.00 0.00 64.21 62.54 2kly n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kly n GLY 135 N -1.35 3.86 0.33 0.46 0.00 -1.26 -4.59 105.19 102.64 2kly n GLY 135 Ca 0.00 -2.34 0.16 0.00 0.00 0.00 0.00 46.02 43.84 2kly n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kly h ALA 136 N 4.88 2.22 -2.56 4.61 0.00 -1.64 -3.37 119.26 123.41 2kly h ALA 136 Ca 0.17 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.61 2kly h ALA 136 Cb 0.76 0.02 -0.38 0.00 0.00 0.00 0.00 17.79 18.20 2kly h ALA 136 CO 0.67 -0.38 -0.74 1.21 0.00 0.00 0.00 179.25 180.02 2kly s ASN 137 N -6.43 2.87 0.39 0.00 2.47 0.69 -4.65 114.94 110.27 2kly s ASN 137 Ca -0.05 -1.20 0.12 0.00 0.42 0.00 0.00 52.86 52.15 2kly s ASN 137 Cb 0.18 -0.07 0.78 0.00 -1.45 0.00 0.00 41.25 40.69 2kly s ASN 137 CO 0.68 -0.41 1.87 0.58 -3.72 0.00 0.00 177.10 176.10 2kly h VAL 138 N 6.23 1.23 -0.89 -5.21 2.07 -1.84 -2.37 116.25 115.47 2kly h VAL 138 Ca -0.15 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.35 2kly h VAL 138 Cb 1.03 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 2kly h VAL 138 CO 0.39 0.31 0.56 -0.78 0.02 0.00 0.00 177.57 178.07 2kly h ASP 139 N 0.03 0.88 0.29 0.57 3.58 -1.96 0.33 116.42 120.15 2kly h ASP 139 Ca 0.00 0.01 -0.28 0.00 0.42 0.00 0.00 57.03 57.19 2kly h ASP 139 Cb 0.55 -0.17 0.02 0.00 1.72 0.00 0.00 39.33 41.45 2kly h ASP 139 CO 0.04 0.57 -1.20 0.00 -2.88 0.00 0.00 179.24 175.77 2kly h ALA 140 N 1.41 0.08 0.03 -0.78 0.00 -1.81 -2.90 119.26 115.30 2kly h ALA 140 Ca 0.39 -0.79 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 2kly h ALA 140 Cb 0.16 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kly h ALA 140 CO -0.17 0.78 -1.03 0.66 0.00 0.00 0.00 179.25 179.49 2kly h SER 141 N 0.21 0.65 0.51 0.00 4.64 -0.97 -0.62 113.55 117.98 2kly h SER 141 Ca -0.16 -0.55 -0.02 0.00 -0.47 0.00 0.00 61.79 60.60 2kly h SER 141 Cb 1.88 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.76 2kly h SER 141 CO 0.22 1.35 -0.33 0.50 -0.87 0.00 0.00 176.83 177.70 2kly h LYS 142 N 0.26 -0.78 0.00 4.77 1.63 -0.47 -0.05 116.57 121.93 2kly h LYS 142 Ca -0.11 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2kly h LYS 142 Cb 1.68 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 2kly h LYS 142 CO 0.19 -0.52 0.00 1.98 -3.45 0.00 0.00 179.45 177.64 2kly h MET 143 N -0.81 0.00 0.02 1.90 4.05 -1.54 -0.16 114.93 118.40 2kly h MET 143 Ca -0.06 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 2kly h MET 143 Cb 0.67 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2kly h MET 143 CO 0.04 0.00 -0.41 2.35 0.23 0.00 0.00 176.91 179.12 2kly h TRP 144 N 0.00 0.37 0.00 1.39 2.91 -0.56 -2.22 115.95 117.83 2kly h TRP 144 Ca 0.00 -0.22 -0.02 0.00 1.13 0.00 0.00 58.89 59.79 2kly h TRP 144 Cb 0.43 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.04 2kly h TRP 144 CO 0.00 1.06 -0.70 0.00 -1.03 0.00 0.00 178.44 177.78 2kly h ARG 145 N -0.43 0.00 0.00 2.65 3.08 -0.89 -3.24 114.38 115.55 2kly h ARG 145 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2kly h ARG 145 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2kly h ARG 145 CO 0.08 0.04 0.00 -3.47 -1.07 0.00 0.00 179.97 175.55 2kly n ASP 146 N -2.85 0.00 -4.06 7.04 2.03 -0.08 -4.75 116.55 113.88 2kly n ASP 146 Ca 0.01 0.20 -0.37 0.00 0.52 0.00 0.00 54.79 55.14 2kly n ASP 146 Cb 0.57 -0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 40.52 2kly n ASP 146 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kly n ASP 147 N -2.00 4.61 -0.20 1.67 -0.08 -0.84 -4.90 116.55 114.82 2kly n ASP 147 Ca 0.00 -3.19 0.10 0.00 -1.51 0.00 0.00 54.79 50.20 2kly n ASP 147 Cb 0.00 -1.08 0.41 0.00 2.34 0.00 0.00 41.12 42.78 2kly n ASP 147 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2kly h ARG 148 N 5.81 0.61 -0.10 -0.67 0.11 -1.58 -0.52 114.38 118.05 2kly h ARG 148 Ca 0.17 -0.04 -0.11 0.00 0.10 0.00 0.00 59.98 60.11 2kly h ARG 148 Cb 0.78 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 2kly h ARG 148 CO 0.94 0.41 -0.44 1.05 0.10 0.00 0.00 179.97 182.02 2kly h GLU 149 N 0.63 0.22 -0.45 0.08 4.11 -1.89 0.14 114.58 117.43 2kly h GLU 149 Ca 0.36 -0.11 -0.07 0.00 0.07 0.00 0.00 59.36 59.61 2kly h GLU 149 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2kly h GLU 149 CO -0.14 0.63 -0.01 1.96 0.07 0.00 0.00 179.01 181.52 2kly h GLN 150 N 0.19 0.74 -0.25 1.06 1.08 -1.42 -2.13 115.11 114.38 2kly h GLN 150 Ca 0.01 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 56.96 2kly h GLN 150 Cb 0.86 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 2kly h GLN 150 CO 0.07 0.76 -0.06 0.35 -0.95 0.00 0.00 178.83 179.00 2kly h PHE 151 N 0.69 0.54 -0.39 2.96 3.57 -0.70 -2.79 116.94 120.82 2kly h PHE 151 Ca 0.14 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2kly h PHE 151 Cb 0.44 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 2kly h PHE 151 CO 0.02 0.70 -0.08 1.88 -2.23 0.00 0.00 178.31 178.60 2kly h TYR 152 N 0.23 -0.16 -0.22 0.41 0.05 -0.49 0.20 116.97 116.99 2kly h TYR 152 Ca 0.06 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 2kly h TYR 152 Cb 0.52 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 2kly h TYR 152 CO 0.05 -0.15 -0.03 1.57 -1.05 0.00 0.00 178.16 178.55 2kly h LYS 153 N 0.02 0.41 -0.13 4.88 2.10 -1.40 -1.77 116.57 120.68 2kly h LYS 153 Ca 0.19 -0.15 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 2kly h LYS 153 Cb 0.29 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2kly h LYS 153 CO -0.39 0.63 -0.34 0.82 -2.00 0.00 0.00 179.45 178.17 2kly h ILE 154 N 0.15 1.28 -0.41 0.07 2.04 -1.24 0.34 117.51 119.73 2kly h ILE 154 Ca 0.06 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 2kly h ILE 154 Cb 0.47 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2kly h ILE 154 CO 0.02 0.41 0.20 0.00 0.00 0.00 0.00 178.15 178.77 2kly h ALA 155 N 1.42 0.53 0.00 1.87 0.00 -0.45 -1.14 119.26 121.50 2kly h ALA 155 Ca 0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2kly h ALA 155 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kly h ALA 155 CO 0.05 0.10 -0.36 0.87 0.00 0.00 0.00 179.25 179.91 2kly h LYS 156 N 0.53 0.00 -0.53 0.00 1.57 -0.82 -1.02 116.57 116.31 2kly h LYS 156 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2kly h LYS 156 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2kly h LYS 156 CO -0.02 0.36 0.23 1.96 -0.57 0.00 0.00 179.45 181.41 2kly h GLN 157 N 0.00 0.78 -0.70 3.15 7.50 -0.42 -0.91 115.11 124.51 2kly h GLN 157 Ca -0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 2kly h GLN 157 Cb 0.69 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.05 2kly h GLN 157 CO 0.05 0.67 0.40 0.82 -1.50 0.00 0.00 178.83 179.27 2kly h ILE 158 N 0.71 1.20 -0.40 2.54 1.08 -0.72 -1.38 117.51 120.55 2kly h ILE 158 Ca 0.18 -0.47 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 2kly h ILE 158 Cb 0.17 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 2kly h ILE 158 CO -0.02 0.22 0.17 0.58 -0.69 0.00 0.00 178.15 178.41 2kly h VAL 159 N 0.97 0.92 -0.57 1.67 2.07 -0.43 0.89 116.25 121.77 2kly h VAL 159 Ca 0.25 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 2kly h VAL 159 Cb -0.01 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2kly h VAL 159 CO -0.04 0.06 0.12 1.56 0.02 0.00 0.00 177.57 179.29 2kly h GLN 160 N 0.35 0.93 -0.74 1.57 1.08 -0.71 -2.24 115.11 115.35 2kly h GLN 160 Ca 0.18 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 2kly h GLN 160 Cb 0.13 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2kly h GLN 160 CO -0.16 0.88 0.34 0.87 -0.95 0.00 0.00 178.83 179.81 2kly h LYS 161 N 0.83 1.08 -0.08 1.46 1.57 -0.74 0.33 116.57 121.01 2kly h LYS 161 Ca 0.18 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2kly h LYS 161 Cb 0.38 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2kly h LYS 161 CO 0.01 0.85 -0.31 0.77 -0.57 0.00 0.00 179.45 180.19 2kly h SER 162 N 1.06 0.16 1.07 0.86 0.02 -0.58 -1.49 113.55 114.65 2kly h SER 162 Ca 0.25 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.03 2kly h SER 162 Cb 0.14 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2kly h SER 162 CO -0.03 0.47 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.49 2kly h LEU 163 N 0.14 0.00 0.00 5.07 3.38 -0.73 -3.44 115.31 119.73 2kly h LEU 163 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kly h LEU 163 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kly h LEU 163 CO 0.05 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.76 2kly n GLY 164 N 0.80 0.85 0.55 0.83 0.00 0.51 -5.10 105.19 103.62 2kly n GLY 164 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36