#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 -1.26 -3.94 120.51 118.35 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 4.08 2.27 0.24 0.00 0.00 -1.26 -4.14 105.19 106.38 2kly n GLY 3 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.07 2kly n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kly h THR 4 N 0.00 0.64 0.06 2.61 1.03 -1.91 0.19 112.91 115.53 2kly h THR 4 Ca 0.00 -0.89 -0.00 0.00 -0.01 0.00 0.00 66.41 65.50 2kly h THR 4 Cb 0.00 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2kly h THR 4 CO 0.00 0.20 -0.03 0.00 -0.01 0.00 0.00 175.52 175.68 2kly h ALA 5 N 1.80 -0.09 -0.16 0.00 0.00 -1.71 -2.23 119.26 116.87 2kly h ALA 5 Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2kly h ALA 5 Cb 0.56 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2kly h ALA 5 CO 0.03 -0.26 -0.05 1.25 0.00 0.00 0.00 179.25 180.22 2kly h LEU 6 N -0.66 -0.17 -1.33 0.00 6.46 -1.75 -0.79 115.31 117.07 2kly h LEU 6 Ca -0.01 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2kly h LEU 6 Cb 0.56 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 2kly h LEU 6 CO 0.01 -0.06 0.36 0.07 -0.62 0.00 0.00 178.44 178.21 2kly h LYS 7 N -0.01 0.82 -0.51 1.25 2.10 -0.74 0.15 116.57 119.62 2kly h LYS 7 Ca 0.08 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2kly h LYS 7 Cb 0.13 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.26 2kly h LYS 7 CO -0.17 0.57 0.23 -0.09 -2.00 0.00 0.00 179.45 177.99 2kly h ARG 8 N 0.83 0.75 0.00 0.07 9.65 -0.72 -0.76 114.38 124.20 2kly h ARG 8 Ca 0.22 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 2kly h ARG 8 Cb -0.03 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.41 2kly h ARG 8 CO -0.04 0.64 -0.14 -0.07 2.80 0.00 0.00 179.97 183.16 2kly h LEU 9 N 0.69 0.00 -0.24 3.80 3.38 -0.33 -0.53 115.31 122.08 2kly h LEU 9 Ca 0.17 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 2kly h LEU 9 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2kly h LEU 9 CO -0.02 0.14 -0.72 0.24 0.09 0.00 0.00 178.44 178.17 2kly h MET 10 N 0.00 0.75 -0.42 1.13 2.86 -0.21 0.11 114.93 119.15 2kly h MET 10 Ca -0.00 -0.57 -0.02 0.00 -2.06 0.00 0.00 59.70 57.04 2kly h MET 10 Cb 0.78 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2kly h MET 10 CO 0.02 1.19 0.17 0.00 1.06 0.00 0.00 176.91 179.35 2kly h ALA 11 N 0.66 0.55 -0.42 6.32 0.00 -0.77 0.16 119.26 125.75 2kly h ALA 11 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kly h ALA 11 Cb 1.33 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2kly h ALA 11 CO 0.15 0.15 0.18 0.93 0.00 0.00 0.00 179.25 180.65 2kly h GLU 12 N 0.54 0.35 0.11 0.00 4.39 -1.04 -2.41 114.58 116.53 2kly h GLU 12 Ca 0.14 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2kly h GLU 12 Cb 0.19 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2kly h GLU 12 CO -0.01 0.23 -0.21 -0.92 -1.16 0.00 0.00 179.01 176.94 2kly h TYR 13 N 0.37 -0.60 -0.57 4.33 3.20 -0.40 -1.17 116.97 122.12 2kly h TYR 13 Ca 0.19 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.18 2kly h TYR 13 Cb 0.14 0.25 -0.11 0.00 1.54 0.00 0.00 36.73 38.55 2kly h TYR 13 CO -0.13 -0.26 -0.26 0.87 -1.64 0.00 0.00 178.16 176.75 2kly h LYS 14 N -0.35 -0.11 -0.14 1.82 1.57 -0.91 0.14 116.57 118.59 2kly h LYS 14 Ca -0.01 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2kly h LYS 14 Cb 0.33 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2kly h LYS 14 CO -0.08 -0.07 -0.46 1.96 -0.57 0.00 0.00 179.45 180.23 2kly h GLN 15 N -0.12 0.35 -0.44 3.15 7.50 -1.39 0.29 115.11 124.46 2kly h GLN 15 Ca 0.25 -0.19 -0.06 0.00 0.50 0.00 0.00 58.65 59.16 2kly h GLN 15 Cb 0.52 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 2kly h GLN 15 CO -0.64 0.74 0.03 -0.07 -1.50 0.00 0.00 178.83 177.39 2kly h LEU 16 N 0.28 0.65 -0.05 1.46 3.38 -0.38 0.55 115.31 121.21 2kly h LEU 16 Ca 0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2kly h LEU 16 Cb 0.92 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2kly h LEU 16 CO 0.08 0.70 -0.16 0.74 0.09 0.00 0.00 178.44 179.89 2kly h THR 17 N 0.66 1.45 -0.10 0.22 2.02 0.05 -3.11 112.91 114.09 2kly h THR 17 Ca 0.14 -1.56 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 2kly h THR 17 Cb 0.37 2.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2kly h THR 17 CO 0.01 0.43 -0.14 -0.07 0.37 0.00 0.00 175.52 176.13 2kly h LEU 18 N -0.33 0.30 -6.82 2.58 3.38 -0.35 -3.39 115.31 110.67 2kly h LEU 18 Ca -0.01 -0.52 -0.61 0.00 0.09 0.00 0.00 57.88 56.84 2kly h LEU 18 Cb 0.79 -0.08 -0.41 0.00 0.09 0.00 0.00 40.66 41.04 2kly h LEU 18 CO 0.03 0.75 -0.67 0.59 0.09 0.00 0.00 178.44 179.24 2kly n ASN 19 N -4.60 2.31 -4.63 -0.43 5.03 0.19 -5.07 115.26 108.05 2kly n ASN 19 Ca -0.07 -3.05 -0.43 0.00 0.87 0.00 0.00 54.58 51.90 2kly n ASN 19 Cb 0.36 -0.71 -0.02 0.00 -1.02 0.00 0.00 39.78 38.39 2kly n ASN 19 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 2kly s PRO 20 N -1.25 3.86 0.60 3.52 0.02 -1.17 -4.46 135.00 136.11 2kly s PRO 20 Ca 0.28 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 62.66 2kly s PRO 20 Cb -0.00 -3.97 -0.03 0.00 0.02 0.00 0.00 34.50 30.51 2kly s PRO 20 CO -0.16 -1.20 1.19 -1.25 -0.33 0.00 0.00 177.00 175.25 2kly s PRO 21 N 4.44 2.98 0.43 5.54 0.04 -1.26 -5.00 135.00 142.17 2kly s PRO 21 Ca 0.66 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 63.22 2kly s PRO 21 Cb -0.22 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2kly s PRO 21 CO 0.27 -1.18 1.08 -1.83 0.04 0.00 0.00 177.00 175.38 2kly s GLU 22 N -3.41 3.98 0.00 4.56 -1.05 -1.26 -3.32 118.70 118.20 2kly s GLU 22 Ca 0.76 1.57 0.00 0.00 -0.15 0.00 0.00 54.97 57.15 2kly s GLU 22 Cb -0.28 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 30.98 2kly s GLU 22 CO 0.33 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.63 2kly n GLY 23 N 0.29 2.86 3.14 -3.83 0.00 -1.26 -4.97 105.19 101.41 2kly n GLY 23 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.29 1.89 -0.18 -0.61 1.09 -1.21 -0.42 121.20 119.47 2kly s ILE 24 Ca 0.00 -0.89 -0.00 0.00 -1.10 0.00 0.00 60.65 58.66 2kly s ILE 24 Cb 0.00 -1.68 0.05 0.00 -1.06 0.00 0.00 42.46 39.77 2kly s ILE 24 CO 0.00 0.52 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.61 2kly s VAL 25 N 0.79 1.24 -0.08 2.92 1.01 -0.96 -4.63 120.40 120.69 2kly s VAL 25 Ca -0.09 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2kly s VAL 25 Cb -0.16 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.82 2kly s VAL 25 CO -0.00 0.08 0.28 0.00 0.00 0.00 0.00 175.10 175.46 2kly s ALA 26 N 1.57 -0.71 0.11 5.51 0.00 -1.26 0.64 121.76 127.62 2kly s ALA 26 Ca -0.01 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 2kly s ALA 26 Cb -0.16 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.68 2kly s ALA 26 CO -0.08 -0.17 0.43 0.20 0.00 0.00 0.00 175.76 176.14 2kly s GLY 27 N -0.29 -0.31 0.51 0.00 0.00 -0.42 -4.97 107.32 101.84 2kly s GLY 27 Ca -0.04 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.57 2kly s GLY 27 CO 0.01 -0.17 1.12 2.56 0.00 0.00 0.00 173.10 176.62 2kly s PRO 28 N -3.50 3.54 -0.92 2.90 0.04 -1.26 -0.33 135.00 135.47 2kly s PRO 28 Ca 0.01 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.45 2kly s PRO 28 Cb 0.01 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.49 2kly s PRO 28 CO -0.10 -0.70 1.27 -1.64 0.04 0.00 0.00 177.00 175.88 2kly s MET 29 N -3.10 3.50 0.06 4.56 -1.94 0.49 -4.62 119.30 118.24 2kly s MET 29 Ca 0.69 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 2kly s MET 29 Cb -0.24 -4.96 0.00 0.00 2.01 0.00 0.00 34.83 31.64 2kly s MET 29 CO 0.28 -2.01 0.00 -1.71 -0.01 0.00 0.00 175.02 171.57 2kly n ASN 30 N 8.02 -4.05 0.00 3.03 5.15 -1.26 -4.46 115.26 121.68 2kly n ASN 30 Ca 0.23 0.42 0.04 0.00 -0.60 0.00 0.00 54.58 54.66 2kly n ASN 30 Cb 0.50 -2.20 0.20 0.00 -0.53 0.00 0.00 39.78 37.75 2kly n ASN 30 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2kly n GLU 31 N 0.56 0.17 -0.06 1.20 4.71 -1.26 -1.50 120.64 124.45 2kly n GLU 31 Ca 0.00 0.11 -0.17 0.00 -0.01 0.00 0.00 57.16 57.09 2kly n GLU 31 Cb 0.00 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.80 2kly n GLU 31 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2kly h GLU 32 N 0.00 0.05 -3.78 3.49 5.08 -1.97 -3.41 114.58 114.04 2kly h GLU 32 Ca 0.00 -0.08 -0.78 0.00 -1.00 0.00 0.00 59.36 57.50 2kly h GLU 32 Cb 0.03 0.03 -0.27 0.00 0.50 0.00 0.00 28.75 29.04 2kly h GLU 32 CO 0.00 1.04 0.10 1.21 -1.00 0.00 0.00 179.01 180.35 2kly s ASN 33 N -6.51 6.70 0.00 1.42 2.47 -0.56 -4.87 114.94 113.58 2kly s ASN 33 Ca -0.21 -2.81 0.13 0.00 0.42 0.00 0.00 52.86 50.38 2kly s ASN 33 Cb 0.00 -2.18 0.75 0.00 -1.45 0.00 0.00 41.25 38.38 2kly s ASN 33 CO 0.68 -0.52 1.44 0.49 -3.72 0.00 0.00 177.10 175.47 2kly n PHE 34 N 3.78 0.00 0.57 0.43 3.01 -1.26 -3.72 117.46 120.27 2kly n PHE 34 Ca 0.15 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.65 2kly n PHE 34 Cb 0.45 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.09 2kly n PHE 34 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2kly n PHE 35 N -0.71 0.68 -3.69 1.38 3.72 -1.26 -4.69 117.46 112.89 2kly n PHE 35 Ca 0.09 -0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 57.11 2kly n PHE 35 Cb 0.04 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.65 0.49 0.19 -1.08 -1.05 -1.24 -0.32 118.70 114.04 2kly s GLU 36 Ca 0.24 0.83 0.08 0.00 -0.15 0.00 0.00 54.97 55.98 2kly s GLU 36 Cb 0.15 0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 2kly s GLU 36 CO 0.12 -0.13 -0.16 -1.58 0.95 0.00 0.00 175.26 174.46 2kly s TRP 37 N 1.13 1.78 0.01 4.83 0.52 0.11 -0.38 118.94 126.94 2kly s TRP 37 Ca -0.07 -0.51 0.07 0.00 0.02 0.00 0.00 56.10 55.61 2kly s TRP 37 Cb -0.06 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.38 2kly s TRP 37 CO -0.10 0.37 -0.21 -2.00 0.02 0.00 0.00 176.95 175.02 2kly s GLU 38 N -3.27 2.10 0.04 4.98 2.12 0.55 -0.29 118.70 124.92 2kly s GLU 38 Ca 0.20 -0.94 0.01 0.00 0.36 0.00 0.00 54.97 54.60 2kly s GLU 38 Cb -0.03 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 2kly s GLU 38 CO 0.07 0.56 -0.06 0.00 -0.54 0.00 0.00 175.26 175.29 2kly s ALA 39 N -0.77 0.42 -0.24 6.30 0.00 0.84 -1.30 121.76 127.01 2kly s ALA 39 Ca 0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 2kly s ALA 39 Cb -0.10 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2kly s ALA 39 CO 0.02 -0.07 -0.05 -0.51 0.00 0.00 0.00 175.76 175.15 2kly s LEU 40 N -1.55 3.10 -0.57 0.00 1.02 0.21 -0.08 118.68 120.80 2kly s LEU 40 Ca -0.12 -0.67 -0.18 0.00 0.02 0.00 0.00 54.13 53.18 2kly s LEU 40 Cb -0.10 -1.70 0.11 0.00 0.02 0.00 0.00 46.19 44.52 2kly s LEU 40 CO -0.00 -0.09 0.62 -0.63 0.02 0.00 0.00 176.35 176.27 2kly s ILE 41 N 1.40 4.98 -0.32 -0.59 -1.09 0.79 -2.25 121.20 124.11 2kly s ILE 41 Ca 0.03 -1.18 -0.29 0.00 -2.23 0.00 0.00 60.65 56.98 2kly s ILE 41 Cb -0.16 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.30 2kly s ILE 41 CO -0.04 -1.01 1.31 -0.04 -1.23 0.00 0.00 174.94 173.93 2kly s MET 42 N 2.25 3.86 0.27 2.79 -1.94 0.44 -1.13 119.30 125.84 2kly s MET 42 Ca 0.08 1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 54.93 2kly s MET 42 Cb -0.26 -3.90 -0.13 0.00 2.01 0.00 0.00 34.83 32.55 2kly s MET 42 CO 0.05 -1.19 1.42 0.41 -0.01 0.00 0.00 175.02 175.70 2kly n GLY 43 N 4.44 0.85 3.62 -0.03 0.00 0.16 -4.72 105.19 109.50 2kly n GLY 43 Ca 0.15 0.46 -0.49 0.00 0.00 0.00 0.00 46.02 46.13 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 1.77 1.51 -1.91 1.61 -0.02 -1.26 -4.19 135.00 132.52 2kly n PRO 44 Ca 0.10 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 2kly n PRO 44 Cb 0.33 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.66 2kly n PRO 44 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kly s GLU 45 N 0.33 2.87 -0.84 -0.52 0.41 -1.26 -2.54 118.70 117.14 2kly s GLU 45 Ca 0.79 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 57.02 2kly s GLU 45 Cb -0.83 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 2kly s GLU 45 CO 0.46 -1.25 0.00 -3.47 -0.49 0.00 0.00 175.26 170.51 2kly n ASP 46 N -1.91 -3.87 -4.11 -0.19 2.03 -1.26 -4.95 116.55 102.29 2kly n ASP 46 Ca 0.12 0.18 -0.23 0.00 0.52 0.00 0.00 54.79 55.39 2kly n ASP 46 Cb 0.50 -2.19 -0.09 0.00 -0.72 0.00 0.00 41.12 38.63 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 -2.31 0.59 -2.01 5.18 -4.23 -1.19 -5.02 115.64 106.65 2kly s THR 47 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 2kly s THR 47 Cb 0.00 -2.47 0.40 0.00 1.34 0.00 0.00 72.50 71.77 2kly s THR 47 CO 0.00 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.61 2kly n PHE 49 N -0.65 0.00 0.00 0.00 3.72 -1.26 -3.52 117.46 115.74 2kly n PHE 49 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2kly n PHE 49 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.05 0.00 0.25 -1.08 0.28 -1.05 -1.10 120.64 117.88 2kly n GLU 50 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2kly n GLU 50 Cb 0.02 -0.23 0.00 0.00 1.43 0.00 0.00 31.44 32.66 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 -2.23 -1.84 3.72 -1.26 -2.63 117.46 113.22 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 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 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 -2.61 2.99 -0.39 1.37 0.00 -0.26 -4.86 107.32 103.56 2kly s GLY 52 Ca 0.00 1.12 0.03 0.00 0.00 0.00 0.00 44.72 45.87 2kly s GLY 52 CO 0.00 1.73 0.13 0.14 0.00 0.00 0.00 173.10 175.11 2kly s VAL 53 N -1.20 2.01 -0.46 1.40 1.01 -1.26 -0.67 120.40 121.23 2kly s VAL 53 Ca 0.50 -2.45 -0.16 0.00 0.00 0.00 0.00 61.98 59.86 2kly s VAL 53 Cb -0.36 -2.46 0.06 0.00 0.00 0.00 0.00 36.38 33.62 2kly s VAL 53 CO 0.47 -0.70 0.42 -0.36 0.00 0.00 0.00 175.10 174.94 2kly s PHE 54 N 0.66 3.20 0.27 5.22 0.08 -0.29 -4.72 117.98 122.41 2kly s PHE 54 Ca 0.13 -0.76 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 2kly s PHE 54 Cb -0.21 -3.12 -0.09 0.00 -0.57 0.00 0.00 43.02 39.03 2kly s PHE 54 CO -0.08 -0.80 1.02 -1.25 -0.10 0.00 0.00 175.22 174.01 2kly s PRO 55 N 1.86 4.71 0.14 0.24 0.04 -1.26 -0.15 135.00 140.58 2kly s PRO 55 Ca 0.07 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 62.66 2kly s PRO 55 Cb -0.22 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 2kly s PRO 55 CO 0.09 0.33 0.22 0.00 0.04 0.00 0.00 177.00 177.67 2kly s ALA 56 N -1.22 0.11 -0.06 8.56 0.00 0.88 -0.96 121.76 129.07 2kly s ALA 56 Ca 0.44 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.50 2kly s ALA 56 Cb -0.28 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2kly s ALA 56 CO 0.35 -0.58 -0.18 0.42 0.00 0.00 0.00 175.76 175.77 2kly s ILE 57 N -3.96 1.57 -0.23 0.00 1.01 0.67 -0.11 121.20 120.16 2kly s ILE 57 Ca 0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2kly s ILE 57 Cb 0.04 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2kly s ILE 57 CO -0.02 0.45 0.01 -0.76 0.00 0.00 0.00 174.94 174.61 2kly s LEU 58 N 0.23 3.17 -0.27 2.97 1.02 0.60 -1.51 118.68 124.89 2kly s LEU 58 Ca -0.10 -0.28 -0.09 0.00 0.02 0.00 0.00 54.13 53.68 2kly s LEU 58 Cb -0.14 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 2kly s LEU 58 CO 0.04 -0.00 0.13 -0.55 0.02 0.00 0.00 176.35 175.99 2kly s SER 59 N 1.41 5.53 -0.18 2.29 0.15 0.10 -0.71 113.70 122.28 2kly s SER 59 Ca 0.05 -0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.38 2kly s SER 59 Cb -0.15 -2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 62.11 2kly s SER 59 CO 0.00 -0.08 0.17 -0.36 1.20 0.00 0.00 173.24 174.18 2kly s PHE 60 N 1.66 3.45 0.59 3.44 0.08 0.56 0.01 117.98 127.78 2kly s PHE 60 Ca 0.06 0.42 -0.09 0.00 0.12 0.00 0.00 56.93 57.45 2kly s PHE 60 Cb -0.16 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2kly s PHE 60 CO 0.07 0.35 0.95 -1.25 -0.10 0.00 0.00 175.22 175.23 2kly s PRO 61 N 0.15 3.38 0.00 0.24 0.04 -1.26 -4.80 135.00 132.75 2kly s PRO 61 Ca 0.11 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2kly s PRO 61 Cb -0.12 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2kly s PRO 61 CO 0.00 -0.54 0.94 1.28 0.04 0.00 0.00 177.00 178.72 2kly n LEU 62 N -2.61 2.74 0.00 -3.56 4.77 -1.26 -2.30 117.00 114.78 2kly n LEU 62 Ca 0.04 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2kly n LEU 62 Cb 0.55 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2kly n LEU 62 CO 0.56 0.47 0.08 0.47 -1.33 0.00 0.00 177.39 177.64 2kly n ASP 63 N 0.77 0.34 -4.76 -1.43 8.00 -1.25 -3.88 116.55 114.34 2kly n ASP 63 Ca 0.00 -0.80 -0.38 0.00 0.71 0.00 0.00 54.79 54.31 2kly n ASP 63 Cb 0.40 0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 2kly n ASP 63 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kly s TYR 64 N -0.12 2.54 -0.70 1.24 5.04 -0.97 -0.76 117.35 123.62 2kly s TYR 64 Ca 0.00 1.41 0.12 0.00 -2.44 0.00 0.00 57.07 56.16 2kly s TYR 64 Cb 0.00 -3.69 0.62 0.00 0.35 0.00 0.00 41.96 39.25 2kly s TYR 64 CO 0.00 -2.43 1.48 -0.35 -1.34 0.00 0.00 175.55 172.91 2kly n PRO 65 N -0.61 3.77 -0.15 4.97 -0.04 -1.26 -3.56 135.00 138.12 2kly n PRO 65 Ca 0.08 -2.42 -0.11 0.00 -0.04 0.00 0.00 63.50 61.01 2kly n PRO 65 Cb 0.45 -1.99 -0.01 0.00 -0.04 0.00 0.00 33.50 31.91 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 3.20 0.86 -9.16 1.53 3.38 -1.36 -3.34 115.31 110.42 2kly h LEU 66 Ca 0.00 -0.37 -0.67 0.00 0.09 0.00 0.00 57.88 56.92 2kly h LEU 66 Cb 1.51 -0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.85 2kly h LEU 66 CO 0.32 1.04 -0.77 -0.44 0.09 0.00 0.00 178.44 178.68 2kly s SER 67 N -6.49 4.16 0.32 -0.43 0.01 -0.69 -4.86 113.70 105.72 2kly s SER 67 Ca -0.12 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 2kly s SER 67 Cb 0.11 -0.72 -0.10 0.00 0.21 0.00 0.00 66.02 65.51 2kly s SER 67 CO 0.83 0.20 1.34 -2.16 0.41 0.00 0.00 173.24 173.86 2kly s PRO 68 N -2.02 4.32 0.94 12.44 0.04 -1.26 -4.35 135.00 145.11 2kly s PRO 68 Ca 0.19 2.25 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 2kly s PRO 68 Cb -0.11 -3.07 0.16 0.00 0.04 0.00 0.00 34.50 31.51 2kly s PRO 68 CO 0.11 -0.25 1.18 -1.25 0.04 0.00 0.00 177.00 176.83 2kly s PRO 69 N -1.52 0.92 0.08 0.56 0.04 -1.26 -4.82 135.00 128.99 2kly s PRO 69 Ca 0.51 0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.63 2kly s PRO 69 Cb -0.40 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2kly s PRO 69 CO 0.52 -2.30 0.11 0.15 0.04 0.00 0.00 177.00 175.52 2kly s LYS 70 N -5.49 3.02 -0.18 4.56 1.02 0.10 -4.97 119.74 117.81 2kly s LYS 70 Ca 0.66 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.90 2kly s LYS 70 Cb -0.11 -2.80 0.05 0.00 -0.52 0.00 0.00 37.83 34.45 2kly s LYS 70 CO 0.53 0.57 0.44 1.41 -0.92 0.00 0.00 175.35 177.39 2kly s MET 71 N -2.44 0.47 -0.02 1.68 1.75 -1.26 0.02 119.30 119.50 2kly s MET 71 Ca 0.31 0.74 -0.04 0.00 -1.25 0.00 0.00 55.69 55.45 2kly s MET 71 Cb -0.12 0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.66 2kly s MET 71 CO 0.24 -0.12 0.10 -0.98 -0.65 0.00 0.00 175.02 173.61 2kly s ARG 72 N 0.90 0.28 -0.04 4.11 1.70 -0.57 -0.71 118.95 124.61 2kly s ARG 72 Ca -0.05 -0.16 -0.19 0.00 -0.47 0.00 0.00 55.73 54.86 2kly s ARG 72 Cb -0.06 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 2kly s ARG 72 CO -0.07 -0.05 0.53 -0.06 -1.08 0.00 0.00 175.30 174.57 2kly s PHE 73 N -0.67 3.63 -0.05 5.89 0.08 -1.17 -0.24 117.98 125.45 2kly s PHE 73 Ca -0.08 1.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.98 2kly s PHE 73 Cb -0.05 -2.55 -0.29 0.00 -0.57 0.00 0.00 43.02 39.57 2kly s PHE 73 CO 0.00 0.32 0.67 1.79 -0.10 0.00 0.00 175.22 177.91 2kly h THR 74 N 4.28 0.94 -1.02 0.64 1.35 -1.40 -3.22 112.91 114.48 2kly h THR 74 Ca -0.45 -2.57 -0.50 0.00 -0.55 0.00 0.00 66.41 62.34 2kly h THR 74 Cb 1.20 2.70 -0.19 0.00 -1.73 0.00 0.00 68.15 70.13 2kly h THR 74 CO 0.71 0.84 0.52 0.00 -0.25 0.00 0.00 175.52 177.33 2kly n GLU 76 N 0.42 0.00 -3.95 0.00 0.28 -1.22 -4.86 120.64 111.31 2kly n GLU 76 Ca 0.46 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.50 2kly n GLU 76 Cb 0.53 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.41 2kly n GLU 76 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2kly s MET 77 N 0.00 0.12 -0.30 3.44 1.75 -1.26 -4.88 119.30 118.18 2kly s MET 77 Ca 0.00 -0.08 -0.00 0.00 -1.25 0.00 0.00 55.69 54.36 2kly s MET 77 Cb 0.00 0.04 0.13 0.00 2.84 0.00 0.00 34.83 37.84 2kly s MET 77 CO 0.00 -0.06 0.29 0.12 -0.65 0.00 0.00 175.02 174.72 2kly s PHE 78 N -2.02 -0.39 -0.27 4.11 5.36 -1.26 -4.85 117.98 118.66 2kly s PHE 78 Ca 0.29 -0.28 -0.21 0.00 -0.96 0.00 0.00 56.93 55.78 2kly s PHE 78 Cb 0.01 -0.49 0.07 0.00 -0.34 0.00 0.00 43.02 42.27 2kly s PHE 78 CO -0.03 -0.92 0.69 -1.58 -1.46 0.00 0.00 175.22 171.92 2kly s HIS 79 N 2.27 -0.88 0.40 10.12 2.46 -1.26 -4.86 115.29 123.55 2kly s HIS 79 Ca 0.10 1.96 0.11 0.00 0.47 0.00 0.00 55.06 57.70 2kly s HIS 79 Cb -0.14 0.41 0.92 0.00 -0.13 0.00 0.00 32.58 33.63 2kly s HIS 79 CO -0.31 -0.43 1.95 -1.00 -2.47 0.00 0.00 174.74 172.48 2kly h PRO 80 N 5.85 0.54 -0.93 2.88 0.13 -1.80 -0.11 132.00 138.56 2kly h PRO 80 Ca -0.30 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2kly h PRO 80 Cb 1.19 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2kly h PRO 80 CO 0.11 0.35 0.11 -1.71 -0.23 0.00 0.00 178.00 176.64 2kly n ASN 81 N -4.49 2.95 -3.88 1.44 4.05 -1.25 -0.49 115.26 113.59 2kly n ASN 81 Ca 0.12 -2.44 -0.12 0.00 0.45 0.00 0.00 54.58 52.59 2kly n ASN 81 Cb 0.36 -0.59 -0.14 0.00 1.23 0.00 0.00 39.78 40.64 2kly n ASN 81 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2kly s ILE 82 N -1.37 0.02 0.59 -1.44 1.01 -0.05 -3.28 121.20 116.67 2kly s ILE 82 Ca 0.19 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 2kly s ILE 82 Cb 0.15 -0.04 -0.04 0.00 0.01 0.00 0.00 42.46 42.55 2kly s ILE 82 CO 0.05 -0.05 1.22 -0.31 0.00 0.00 0.00 174.94 175.85 2kly s TYR 83 N -0.15 2.38 0.20 3.97 2.02 0.02 -2.62 117.35 123.16 2kly s TYR 83 Ca -0.02 1.51 0.34 0.00 -0.37 0.00 0.00 57.07 58.53 2kly s TYR 83 Cb -0.01 -3.51 1.47 0.00 -0.40 0.00 0.00 41.96 39.51 2kly s TYR 83 CO -0.00 -2.28 2.03 -1.00 -1.57 0.00 0.00 175.55 172.73 2kly h PRO 84 N 0.93 0.00 0.00 -1.71 0.13 -1.86 -0.45 132.00 129.04 2kly h PRO 84 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kly h PRO 84 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kly h PRO 84 CO 0.55 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 2kly n ASP 85 N -3.16 0.00 0.00 1.44 9.92 -1.26 -4.89 116.55 118.60 2kly n ASP 85 Ca -0.00 -1.22 0.00 0.00 -0.53 0.00 0.00 54.79 53.04 2kly n ASP 85 Cb 0.28 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2kly n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kly n GLY 86 N 0.62 2.77 3.65 0.44 0.00 -0.18 -4.98 105.19 107.51 2kly n GLY 86 Ca 0.13 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 1.75 -2.86 1.61 1.74 -1.26 -3.05 116.66 114.59 2kly n ARG 87 Ca 0.00 0.62 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 2kly n ARG 87 Cb 0.00 -2.17 -0.04 0.00 -1.02 0.00 0.00 32.46 29.23 2kly n ARG 87 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2kly s VAL 88 N -1.15 4.70 -0.74 1.55 1.01 0.11 -0.80 120.40 125.08 2kly s VAL 88 Ca 0.59 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.87 2kly s VAL 88 Cb -0.58 -4.24 0.26 0.00 0.00 0.00 0.00 36.38 31.82 2kly s VAL 88 CO 0.60 -0.36 0.91 0.00 0.00 0.00 0.00 175.10 176.25 2kly s ILE 90 N -2.53 4.76 0.40 0.00 -4.36 -1.24 -4.31 121.20 113.92 2kly s ILE 90 Ca 0.38 -0.93 0.11 0.00 -0.26 0.00 0.00 60.65 59.95 2kly s ILE 90 Cb 0.12 -3.43 0.16 0.00 1.25 0.00 0.00 42.46 40.56 2kly s ILE 90 CO 0.01 -0.09 1.93 0.77 0.24 0.00 0.00 174.94 177.80 2kly h SER 91 N 2.39 0.13 0.88 4.36 4.64 -1.89 -2.61 113.55 121.45 2kly h SER 91 Ca -0.48 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 60.70 2kly h SER 91 Cb 1.20 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2kly h SER 91 CO 0.65 0.32 -1.19 -0.29 -0.87 0.00 0.00 176.83 175.45 2kly h ILE 92 N 0.13 0.38 -0.28 0.95 2.10 -1.91 -3.16 117.51 115.73 2kly h ILE 92 Ca 0.03 -1.72 0.00 0.00 1.08 0.00 0.00 64.86 64.25 2kly h ILE 92 Cb 0.39 1.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 2kly h ILE 92 CO 0.03 0.22 0.00 0.18 -1.08 0.00 0.00 178.15 177.49 2kly n LEU 93 N -2.87 1.89 -4.84 2.19 4.77 -1.01 -3.39 117.00 113.74 2kly n LEU 93 Ca -0.06 -0.95 -0.28 0.00 -0.03 0.00 0.00 56.01 54.69 2kly n LEU 93 Cb 0.75 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2kly n LEU 93 CO 0.42 0.40 -0.19 -1.00 -1.33 0.00 0.00 177.39 175.68 2kly s HIS 94 N -1.63 3.29 0.19 -1.77 3.76 -1.05 -4.81 115.29 113.26 2kly s HIS 94 Ca 0.20 0.07 -0.20 0.00 -0.15 0.00 0.00 55.06 54.99 2kly s HIS 94 Cb 0.12 -1.61 -0.08 0.00 1.11 0.00 0.00 32.58 32.12 2kly s HIS 94 CO 0.12 0.53 0.69 0.00 -0.85 0.00 0.00 174.74 175.23 2kly s ALA 95 N -1.63 3.46 -0.37 -1.40 0.00 -1.26 0.04 121.76 120.61 2kly s ALA 95 Ca 0.32 0.15 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 2kly s ALA 95 Cb -0.11 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 2kly s ALA 95 CO 0.25 0.35 2.20 -2.14 0.00 0.00 0.00 175.76 176.42 2kly s PRO 96 N -1.73 2.73 0.00 0.00 0.02 -1.26 -0.38 135.00 134.38 2kly s PRO 96 Ca 0.39 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2kly s PRO 96 Cb -0.18 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 29.91 2kly s PRO 96 CO 0.21 -2.57 0.00 0.41 -0.33 0.00 0.00 177.00 174.73 2kly n GLY 97 N 5.80 1.14 2.63 0.52 0.00 -1.26 -4.98 105.19 109.04 2kly n GLY 97 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 2kly n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kly n ASP 98 N 0.00 6.82 -3.59 1.61 2.03 0.49 -4.78 116.55 119.13 2kly n ASP 98 Ca 0.00 -3.11 -0.29 0.00 0.52 0.00 0.00 54.79 51.91 2kly n ASP 98 Cb 0.00 -1.42 -0.13 0.00 -0.72 0.00 0.00 41.12 38.85 2kly n ASP 98 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kly s ASP 99 N 0.64 3.36 0.16 1.67 1.47 -1.26 -4.51 116.67 118.20 2kly s ASP 99 Ca 0.48 -2.26 0.00 0.00 1.18 0.00 0.00 52.55 51.95 2kly s ASP 99 Cb 0.15 -0.68 0.00 0.00 -0.34 0.00 0.00 42.92 42.04 2kly s ASP 99 CO -0.05 -0.31 0.00 -0.81 0.68 0.00 0.00 175.17 174.68 2kly n PRO 100 N 3.98 1.48 0.00 2.11 -0.04 -1.26 -4.72 135.00 136.56 2kly n PRO 100 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2kly n PRO 100 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 2kly n PRO 100 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2kly n MET 101 N -0.31 0.00 0.00 0.54 2.81 -1.26 -3.59 117.12 115.31 2kly n MET 101 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2kly n MET 101 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.00 0.15 3.66 3.03 0.00 -1.26 -5.16 105.19 105.61 2kly n GLY 102 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2kly n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kly s TYR 103 N -0.89 2.05 0.25 1.61 1.13 -1.24 -5.04 117.35 115.23 2kly s TYR 103 Ca 0.00 1.06 0.08 0.00 -1.41 0.00 0.00 57.07 56.79 2kly s TYR 103 Cb 0.00 -3.23 -0.04 0.00 -1.10 0.00 0.00 41.96 37.59 2kly s TYR 103 CO 0.00 -2.93 0.16 -1.21 -2.51 0.00 0.00 175.55 169.06 2kly s GLU 104 N -4.91 2.81 0.00 -3.49 2.02 -1.26 -4.78 118.70 109.10 2kly s GLU 104 Ca 0.65 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2kly s GLU 104 Cb -0.19 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.55 2kly s GLU 104 CO 0.58 0.39 0.73 0.43 0.02 0.00 0.00 175.26 177.41 2kly n SER 105 N -1.12 0.47 0.14 -0.19 7.64 -1.26 -3.22 113.62 116.08 2kly n SER 105 Ca -0.08 -1.92 0.13 0.00 1.01 0.00 0.00 58.87 58.01 2kly n SER 105 Cb 0.58 -0.24 0.42 0.00 -1.01 0.00 0.00 64.21 63.96 2kly n SER 105 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kly h SER 106 N 0.02 0.00 -4.20 6.43 0.02 -2.03 -3.45 113.55 110.33 2kly h SER 106 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 2kly h SER 106 Cb 0.24 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.91 2kly h SER 106 CO 0.00 0.00 0.31 0.00 -1.14 0.00 0.00 176.83 176.00 2kly s ALA 107 N -3.22 1.82 0.23 3.77 0.00 -1.20 -5.00 121.76 118.16 2kly s ALA 107 Ca 0.08 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2kly s ALA 107 Cb 0.10 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 2kly s ALA 107 CO 0.55 -2.34 1.21 -1.21 0.00 0.00 0.00 175.76 173.97 2kly s GLU 108 N -5.37 4.49 0.29 0.00 8.01 -1.26 -5.02 118.70 119.84 2kly s GLU 108 Ca 0.65 1.94 0.03 0.00 0.01 0.00 0.00 54.97 57.60 2kly s GLU 108 Cb -0.13 -3.19 -0.01 0.00 -4.31 0.00 0.00 34.13 26.49 2kly s GLU 108 CO 0.53 -0.06 0.32 -2.13 0.01 0.00 0.00 175.26 173.94 2kly n ARG 109 N 1.92 0.47 -1.64 1.61 3.00 -1.26 -4.32 116.66 116.44 2kly n ARG 109 Ca 0.03 -2.61 -0.64 0.00 -0.00 0.00 0.00 57.85 54.62 2kly n ARG 109 Cb 0.44 2.31 -0.10 0.00 0.00 0.00 0.00 32.46 35.11 2kly n ARG 109 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 2kly n TRP 110 N -0.52 1.71 -1.83 -0.14 -0.00 0.11 -4.89 117.44 111.88 2kly n TRP 110 Ca 0.04 0.91 0.00 0.00 -0.00 0.00 0.00 57.50 58.45 2kly n TRP 110 Cb 0.51 -2.30 0.00 0.00 -0.00 0.00 0.00 31.31 29.51 2kly n TRP 110 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 2kly n SER 111 N 5.18 0.00 -3.20 5.87 7.64 -1.26 -4.71 113.62 123.14 2kly n SER 111 Ca 0.35 -0.60 -0.18 0.00 1.01 0.00 0.00 58.87 59.45 2kly n SER 111 Cb -0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2kly n SER 111 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kly n PRO 112 N -0.60 0.45 0.00 1.43 -0.04 -1.26 -4.41 135.00 130.57 2kly n PRO 112 Ca 0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 2kly n PRO 112 Cb 0.00 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 2kly n PRO 112 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2kly n VAL 113 N 5.43 0.00 -4.96 0.52 3.14 -1.25 -4.84 118.33 116.36 2kly n VAL 113 Ca 0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 2kly n VAL 113 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 2kly n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kly n GLN 114 N -1.65 0.00 -3.85 1.45 6.02 -1.26 -4.72 117.38 113.37 2kly n GLN 114 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2kly n GLN 114 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 2kly n GLN 114 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kly s SER 115 N -4.00 -0.01 0.45 1.08 0.01 -1.26 -5.00 113.70 104.98 2kly s SER 115 Ca 0.00 -0.20 0.22 0.00 1.31 0.00 0.00 55.95 57.29 2kly s SER 115 Cb 0.00 0.24 1.21 0.00 0.21 0.00 0.00 66.02 67.68 2kly s SER 115 CO 0.00 -0.42 1.85 -0.37 0.41 0.00 0.00 173.24 174.71 2kly h VAL 116 N 4.02 0.61 -0.47 3.43 -1.51 -1.97 0.36 116.25 120.72 2kly h VAL 116 Ca -0.31 -0.10 -0.13 0.00 -1.23 0.00 0.00 66.70 64.94 2kly h VAL 116 Cb 1.19 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2kly h VAL 116 CO 0.42 0.05 -0.21 -0.08 -1.23 0.00 0.00 177.57 176.52 2kly h GLU 117 N 0.28 0.95 -0.28 5.19 4.22 -1.95 -0.72 114.58 122.26 2kly h GLU 117 Ca 0.48 -0.40 -0.06 0.00 0.08 0.00 0.00 59.36 59.47 2kly h GLU 117 Cb 1.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2kly h GLU 117 CO -0.14 1.06 -0.05 0.87 -2.18 0.00 0.00 179.01 178.57 2kly h LYS 118 N 0.82 0.54 0.10 1.92 1.57 -0.86 -2.34 116.57 118.32 2kly h LYS 118 Ca 0.11 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2kly h LYS 118 Cb 0.77 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2kly h LYS 118 CO 0.06 0.72 -0.11 0.82 -0.57 0.00 0.00 179.45 180.38 2kly h ILE 119 N 0.30 0.76 0.00 1.86 2.04 -0.42 -0.77 117.51 121.28 2kly h ILE 119 Ca 0.07 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 2kly h ILE 119 Cb 0.52 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2kly h ILE 119 CO 0.02 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.75 2kly h LEU 120 N -0.23 0.00 -0.88 1.44 4.07 -1.19 -1.47 115.31 117.04 2kly h LEU 120 Ca 0.01 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 2kly h LEU 120 Cb 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2kly h LEU 120 CO -0.03 0.35 -0.45 -0.07 -1.08 0.00 0.00 178.44 177.15 2kly h LEU 121 N 0.00 0.25 -0.87 1.67 -0.00 -1.14 -0.46 115.31 114.76 2kly h LEU 121 Ca -0.00 -0.11 -0.08 0.00 -0.00 0.00 0.00 57.88 57.68 2kly h LEU 121 Cb 0.95 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 2kly h LEU 121 CO 0.05 0.67 -0.05 -1.28 -0.00 0.00 0.00 178.44 177.83 2kly h SER 122 N 0.19 0.76 -0.61 -0.43 0.87 -0.33 0.72 113.55 114.72 2kly h SER 122 Ca 0.01 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2kly h SER 122 Cb 0.88 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 2kly h SER 122 CO 0.07 0.86 0.33 0.58 -0.53 0.00 0.00 176.83 178.14 2kly h VAL 123 N 0.72 1.20 -0.51 2.23 2.07 -0.72 -0.41 116.25 120.83 2kly h VAL 123 Ca 0.13 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2kly h VAL 123 Cb 0.51 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2kly h VAL 123 CO 0.03 0.21 0.24 0.58 0.02 0.00 0.00 177.57 178.65 2kly h VAL 124 N 0.83 1.20 -0.98 2.57 2.07 -0.62 -1.66 116.25 119.66 2kly h VAL 124 Ca 0.21 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2kly h VAL 124 Cb 0.05 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 2kly h VAL 124 CO -0.03 0.23 0.64 -1.28 0.02 0.00 0.00 177.57 177.14 2kly h SER 125 N 0.68 1.04 -0.15 0.57 0.87 -0.61 -1.09 113.55 114.86 2kly h SER 125 Ca 0.17 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2kly h SER 125 Cb 0.14 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2kly h SER 125 CO -0.02 0.70 -0.02 -0.03 -0.53 0.00 0.00 176.83 176.93 2kly h MET 126 N 1.20 0.42 0.00 2.24 1.85 -0.52 0.15 114.93 120.27 2kly h MET 126 Ca 0.40 -0.08 -0.23 0.00 -0.61 0.00 0.00 59.70 59.18 2kly h MET 126 Cb 0.06 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 31.99 2kly h MET 126 CO -0.13 0.46 -1.31 -0.07 -0.40 0.00 0.00 176.91 175.46 2kly h LEU 127 N 0.40 0.00 0.00 3.39 3.38 -0.32 -3.00 115.31 119.16 2kly h LEU 127 Ca 0.09 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 2kly h LEU 127 Cb 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2kly h LEU 127 CO 0.01 0.90 -1.69 0.00 0.09 0.00 0.00 178.44 177.75 2kly n ALA 128 N -2.43 1.61 -3.92 1.53 0.00 -0.57 -4.57 120.51 112.17 2kly n ALA 128 Ca -0.08 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.31 2kly n ALA 128 Cb 0.95 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 2kly n ALA 128 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kly s GLU 129 N -2.68 1.96 -0.28 0.00 2.56 0.52 -4.97 118.70 115.81 2kly s GLU 129 Ca -0.05 -2.65 -0.34 0.00 0.00 0.00 0.00 54.97 51.93 2kly s GLU 129 Cb 0.08 -3.22 -0.11 0.00 2.00 0.00 0.00 34.13 32.88 2kly s GLU 129 CO 0.82 -1.14 2.11 -2.30 -0.56 0.00 0.00 175.26 174.19 2kly n PRO 130 N 3.00 1.38 -4.00 4.30 -0.02 -1.13 -4.24 135.00 134.29 2kly n PRO 130 Ca 0.07 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 2kly n PRO 130 Cb 0.33 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.11 2kly n PRO 130 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2kly s ASN 131 N 6.64 4.85 -0.87 2.55 2.47 -1.26 -5.01 114.94 124.31 2kly s ASN 131 Ca 1.05 -0.21 -0.03 0.00 0.42 0.00 0.00 52.86 54.08 2kly s ASN 131 Cb -0.78 -1.84 0.21 0.00 -1.45 0.00 0.00 41.25 37.40 2kly s ASN 131 CO 0.49 0.04 2.28 -0.90 -3.72 0.00 0.00 177.10 175.29 2kly n ASP 132 N 4.40 7.30 -4.66 -4.21 5.75 -1.26 -3.80 116.55 120.07 2kly n ASP 132 Ca -0.17 -3.48 -0.42 0.00 -0.01 0.00 0.00 54.79 50.71 2kly n ASP 132 Cb 0.52 -1.20 -0.03 0.00 -1.03 0.00 0.00 41.12 39.38 2kly n ASP 132 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2kly s GLU 133 N -2.85 4.20 0.00 0.11 -6.30 -1.26 -3.63 118.70 108.97 2kly s GLU 133 Ca 0.52 2.07 0.00 0.00 -2.50 0.00 0.00 54.97 55.05 2kly s GLU 133 Cb 0.32 -3.93 0.00 0.00 0.00 0.00 0.00 34.13 30.52 2kly s GLU 133 CO -0.23 -0.81 0.00 0.45 0.02 0.00 0.00 175.26 174.69 2kly n SER 134 N 6.97 0.00 -0.90 -1.70 2.88 -1.26 -4.21 113.62 115.40 2kly n SER 134 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2kly n SER 134 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 0.73 0.25 0.46 0.00 -1.24 -5.00 105.19 100.39 2kly n GLY 135 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.82 -2.54 4.61 0.00 -0.96 -3.27 119.26 117.93 2kly h ALA 136 Ca 0.00 -0.02 -0.77 0.00 0.00 0.00 0.00 54.91 54.12 2kly h ALA 136 Cb 0.60 -0.20 -0.26 0.00 0.00 0.00 0.00 17.79 17.93 2kly h ALA 136 CO 0.00 0.14 -0.08 1.21 0.00 0.00 0.00 179.25 180.52 2kly s ASN 137 N -5.69 6.41 0.36 0.00 3.84 -0.79 -4.57 114.94 114.50 2kly s ASN 137 Ca -0.13 -2.29 0.06 0.00 0.21 0.00 0.00 52.86 50.71 2kly s ASN 137 Cb 0.14 -2.18 0.68 0.00 -0.55 0.00 0.00 41.25 39.35 2kly s ASN 137 CO 0.76 -0.69 1.91 0.58 -2.79 0.00 0.00 177.10 176.87 2kly h VAL 138 N 5.32 1.18 -0.40 -5.21 2.07 -1.86 -0.22 116.25 117.13 2kly h VAL 138 Ca -0.08 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 2kly h VAL 138 Cb 1.06 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2kly h VAL 138 CO 0.87 0.24 -0.18 -0.78 0.02 0.00 0.00 177.57 177.74 2kly h ASP 139 N 0.43 0.76 0.02 0.57 3.58 -1.92 0.14 116.42 120.00 2kly h ASP 139 Ca 0.09 -0.26 -0.20 0.00 0.42 0.00 0.00 57.03 57.09 2kly h ASP 139 Cb 0.30 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kly h ASP 139 CO 0.01 0.94 -0.72 0.00 -2.88 0.00 0.00 179.24 176.59 2kly h ALA 140 N 1.12 0.48 -0.07 -0.78 0.00 -1.69 -2.16 119.26 116.16 2kly h ALA 140 Ca 0.10 -0.59 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 2kly h ALA 140 Cb 0.68 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kly h ALA 140 CO 0.05 0.72 -0.75 0.66 0.00 0.00 0.00 179.25 179.93 2kly h SER 141 N 0.43 0.48 0.78 0.00 4.64 -0.90 -1.57 113.55 117.41 2kly h SER 141 Ca -0.03 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 2kly h SER 141 Cb 1.31 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2kly h SER 141 CO 0.14 1.07 -0.44 0.50 -0.87 0.00 0.00 176.83 177.23 2kly h LYS 142 N 0.27 -1.09 0.00 4.77 3.11 -0.67 -0.19 116.57 122.77 2kly h LYS 142 Ca -0.03 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2kly h LYS 142 Cb 1.33 0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.81 2kly h LYS 142 CO 0.13 -0.73 0.00 -1.33 -2.81 0.00 0.00 179.45 174.71 2kly n MET 143 N -5.59 0.17 0.13 1.90 2.81 -0.82 -0.03 117.12 115.69 2kly n MET 143 Ca -0.15 0.42 -0.23 0.00 -1.81 0.00 0.00 57.70 55.94 2kly n MET 143 Cb 0.47 -1.84 -0.15 0.00 -0.71 0.00 0.00 33.22 30.98 2kly n MET 143 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 2kly h TRP 144 N 0.00 0.84 0.15 2.03 2.91 -0.91 -3.01 115.95 117.96 2kly h TRP 144 Ca 0.00 -0.62 -0.29 0.00 1.13 0.00 0.00 58.89 59.12 2kly h TRP 144 Cb 0.32 -0.03 0.01 0.00 -0.51 0.00 0.00 29.16 28.95 2kly h TRP 144 CO 0.00 1.53 -1.27 0.00 -1.03 0.00 0.00 178.44 177.67 2kly h ARG 145 N 0.13 0.36 0.01 2.65 3.08 -0.42 -3.36 114.38 116.83 2kly h ARG 145 Ca -0.25 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.21 2kly h ARG 145 Cb 2.13 0.21 0.00 0.00 0.08 0.00 0.00 29.97 32.39 2kly h ARG 145 CO 0.24 1.27 -0.01 0.22 -1.07 0.00 0.00 179.97 180.63 2kly h ASP 146 N 0.12 -0.01 -3.55 7.04 1.82 -0.59 -3.44 116.42 117.80 2kly h ASP 146 Ca -0.16 0.00 -0.62 0.00 -0.39 0.00 0.00 57.03 55.86 2kly h ASP 146 Cb 1.98 0.00 -0.40 0.00 0.68 0.00 0.00 39.33 41.59 2kly h ASP 146 CO 0.22 0.11 -0.73 -0.62 -1.61 0.00 0.00 179.24 176.61 2kly s ASP 147 N -3.57 4.12 0.40 2.28 2.15 -1.14 -4.97 116.67 115.96 2kly s ASP 147 Ca -0.00 -2.25 0.15 0.00 0.43 0.00 0.00 52.55 50.88 2kly s ASP 147 Cb 0.00 -1.20 1.02 0.00 -0.30 0.00 0.00 42.92 42.44 2kly s ASP 147 CO 0.01 -0.34 1.87 0.03 -0.17 0.00 0.00 175.17 176.57 2kly h ARG 148 N 7.35 0.46 -0.90 4.34 3.08 -1.71 -0.32 114.38 126.68 2kly h ARG 148 Ca -0.07 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.02 2kly h ARG 148 Cb 0.97 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.86 2kly h ARG 148 CO 0.51 0.30 0.56 1.49 -1.07 0.00 0.00 179.97 181.77 2kly h GLU 149 N 0.47 1.00 -0.35 0.04 4.57 -1.93 0.17 114.58 118.54 2kly h GLU 149 Ca 0.45 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.51 2kly h GLU 149 Cb 1.02 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2kly h GLU 149 CO -0.18 0.66 -0.02 0.37 -1.18 0.00 0.00 179.01 178.66 2kly h GLN 150 N 1.03 0.64 -0.18 1.92 5.75 -1.34 -2.09 115.11 120.83 2kly h GLN 150 Ca 0.39 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 2kly h GLN 150 Cb 0.16 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2kly h GLN 150 CO -0.17 0.77 0.10 0.35 -2.65 0.00 0.00 178.83 177.23 2kly h PHE 151 N 0.44 0.25 -0.53 3.99 3.57 -1.08 -2.00 116.94 121.58 2kly h PHE 151 Ca 0.10 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.69 2kly h PHE 151 Cb 0.49 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 2kly h PHE 151 CO 0.04 0.24 0.08 1.88 -2.23 0.00 0.00 178.31 178.32 2kly h TYR 152 N 0.19 0.11 -0.25 0.41 0.05 -0.56 0.14 116.97 117.06 2kly h TYR 152 Ca 0.06 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.73 2kly h TYR 152 Cb 0.07 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2kly h TYR 152 CO -0.04 -0.05 -0.47 1.57 -1.05 0.00 0.00 178.16 178.13 2kly h LYS 153 N 0.20 0.66 -0.87 4.88 2.10 -1.23 -1.53 116.57 120.78 2kly h LYS 153 Ca 0.27 -0.37 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 2kly h LYS 153 Cb 0.39 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.70 2kly h LYS 153 CO -0.38 0.98 0.46 0.82 -2.00 0.00 0.00 179.45 179.33 2kly h ILE 154 N 0.52 1.26 -0.53 0.07 2.04 -0.78 -0.89 117.51 119.20 2kly h ILE 154 Ca 0.03 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 2kly h ILE 154 Cb 1.01 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2kly h ILE 154 CO 0.09 0.29 0.32 0.00 0.00 0.00 0.00 178.15 178.86 2kly h ALA 155 N 1.25 0.67 -0.24 1.87 0.00 -0.31 -0.61 119.26 121.89 2kly h ALA 155 Ca 0.30 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2kly h ALA 155 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kly h ALA 155 CO -0.05 0.15 -0.20 0.87 0.00 0.00 0.00 179.25 180.03 2kly h LYS 156 N 0.70 0.42 -0.16 0.00 1.79 -0.95 -1.16 116.57 117.22 2kly h LYS 156 Ca 0.19 -0.14 -0.18 0.00 -2.18 0.00 0.00 60.65 58.34 2kly h LYS 156 Cb -0.01 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2kly h LYS 156 CO -0.04 0.60 -0.64 -0.56 -1.08 0.00 0.00 179.45 177.74 2kly h GLN 157 N 0.38 0.58 -0.49 3.15 3.07 -0.64 -1.41 115.11 119.76 2kly h GLN 157 Ca 0.06 -0.41 -0.06 0.00 0.09 0.00 0.00 58.65 58.33 2kly h GLN 157 Cb 0.56 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.17 2kly h GLN 157 CO 0.04 1.03 0.06 0.82 0.09 0.00 0.00 178.83 180.87 2kly h ILE 158 N 0.43 1.23 0.07 1.86 1.08 -0.88 -1.23 117.51 120.07 2kly h ILE 158 Ca -0.01 -0.89 0.02 0.00 -0.39 0.00 0.00 64.86 63.58 2kly h ILE 158 Cb 1.21 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 2kly h ILE 158 CO 0.12 0.32 -0.16 0.58 -0.69 0.00 0.00 178.15 178.32 2kly h VAL 159 N 0.74 0.62 -0.18 1.67 2.07 -0.68 0.13 116.25 120.63 2kly h VAL 159 Ca 0.15 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.55 2kly h VAL 159 Cb 0.36 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2kly h VAL 159 CO 0.01 0.00 -0.44 0.06 0.02 0.00 0.00 177.57 177.22 2kly h GLN 160 N -0.31 0.42 -0.24 1.57 3.07 -1.14 -2.34 115.11 116.14 2kly h GLN 160 Ca 0.03 -0.22 -0.10 0.00 0.09 0.00 0.00 58.65 58.45 2kly h GLN 160 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 2kly h GLN 160 CO -0.11 0.78 -0.29 0.87 0.09 0.00 0.00 178.83 180.17 2kly h LYS 161 N 0.35 0.48 0.00 0.06 1.57 -1.00 0.31 116.57 118.33 2kly h LYS 161 Ca 0.03 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2kly h LYS 161 Cb 0.91 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2kly h LYS 161 CO 0.08 0.72 -0.23 0.77 -0.57 0.00 0.00 179.45 180.22 2kly h SER 162 N 0.41 0.00 0.82 0.86 0.02 -0.39 -1.31 113.55 113.96 2kly h SER 162 Ca 0.06 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.80 2kly h SER 162 Cb 0.72 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2kly h SER 162 CO 0.06 0.23 -0.95 -0.07 -1.14 0.00 0.00 176.83 174.96 2kly h LEU 163 N 0.00 0.10 0.00 5.07 3.38 -0.81 -3.44 115.31 119.61 2kly h LEU 163 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kly h LEU 163 Cb 0.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kly h LEU 163 CO 0.03 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.16 2kly n GLY 164 N 1.12 0.92 0.00 0.83 0.00 0.83 -5.10 105.19 103.78 2kly n GLY 164 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36