#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 -0.29 -0.14 3.04 0.00 -1.26 -4.87 120.51 116.98 2kly n ALA 2 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.67 2kly n ALA 2 Cb 0.00 -1.93 0.08 0.00 0.00 0.00 0.00 19.45 17.60 2kly n ALA 2 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kly h GLY 3 N 0.00 0.98 2.00 0.00 0.00 -1.93 0.17 103.07 104.28 2kly h GLY 3 Ca -0.39 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.17 2kly h GLY 3 CO 0.57 0.68 -0.15 0.00 0.00 0.00 0.00 176.54 177.65 2kly h THR 4 N 0.82 0.45 -0.01 4.70 1.03 -1.89 0.21 112.91 118.22 2kly h THR 4 Ca 0.14 -0.77 -0.04 0.00 -0.01 0.00 0.00 66.41 65.73 2kly h THR 4 Cb 0.60 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2kly h THR 4 CO 0.04 0.14 -0.14 0.00 -0.01 0.00 0.00 175.52 175.55 2kly h ALA 5 N 1.85 0.03 -0.35 0.00 0.00 -0.99 -0.96 119.26 118.85 2kly h ALA 5 Ca -0.00 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2kly h ALA 5 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2kly h ALA 5 CO 0.02 -0.00 0.07 1.25 0.00 0.00 0.00 179.25 180.58 2kly h LEU 6 N -0.56 0.01 -0.02 0.00 7.12 -0.43 0.15 115.31 121.58 2kly h LEU 6 Ca -0.01 0.06 0.03 0.00 0.13 0.00 0.00 57.88 58.09 2kly h LEU 6 Cb 0.87 0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 41.03 2kly h LEU 6 CO 0.03 0.04 -0.25 0.11 -0.13 0.00 0.00 178.44 178.24 2kly h LYS 7 N 0.19 -0.36 -0.35 1.25 1.57 -0.64 0.17 116.57 118.39 2kly h LYS 7 Ca 0.17 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2kly h LYS 7 Cb 0.19 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2kly h LYS 7 CO -0.22 -0.24 0.23 -0.09 -0.57 0.00 0.00 179.45 178.56 2kly h ARG 8 N -0.38 0.45 0.00 3.15 9.65 -0.71 0.54 114.38 127.09 2kly h ARG 8 Ca 0.07 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 2kly h ARG 8 Cb 0.47 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2kly h ARG 8 CO -0.24 0.30 -0.24 -0.07 2.80 0.00 0.00 179.97 182.52 2kly h LEU 9 N 0.47 0.00 -0.23 3.80 3.38 -0.53 0.20 115.31 122.39 2kly h LEU 9 Ca 0.13 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 2kly h LEU 9 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kly h LEU 9 CO -0.03 0.24 -0.87 0.24 0.09 0.00 0.00 178.44 178.11 2kly h MET 10 N 0.00 0.46 -0.02 1.13 2.86 0.04 0.25 114.93 119.65 2kly h MET 10 Ca -0.00 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2kly h MET 10 Cb 0.54 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2kly h MET 10 CO 0.03 1.09 0.01 0.00 1.06 0.00 0.00 176.91 179.10 2kly h ALA 11 N 0.77 0.03 -0.52 6.32 0.00 -0.18 -1.08 119.26 124.60 2kly h ALA 11 Ca -0.06 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kly h ALA 11 Cb 1.49 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2kly h ALA 11 CO 0.15 -0.42 0.26 0.93 0.00 0.00 0.00 179.25 180.17 2kly h GLU 12 N -0.08 0.49 -0.01 0.00 4.39 -0.60 -1.48 114.58 117.28 2kly h GLU 12 Ca 0.01 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.70 2kly h GLU 12 Cb 0.11 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2kly h GLU 12 CO -0.00 0.32 -0.47 -0.92 -1.16 0.00 0.00 179.01 176.79 2kly h TYR 13 N 0.50 -1.37 -0.76 4.33 3.20 -0.36 -0.59 116.97 121.92 2kly h TYR 13 Ca 0.23 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.23 2kly h TYR 13 Cb 0.15 0.60 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 2kly h TYR 13 CO -0.10 -0.49 0.50 0.87 -1.64 0.00 0.00 178.16 177.29 2kly h LYS 14 N -0.58 0.70 -0.63 1.82 1.57 -0.91 0.60 116.57 119.14 2kly h LYS 14 Ca 0.01 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2kly h LYS 14 Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2kly h LYS 14 CO -0.32 0.46 0.10 1.96 -0.57 0.00 0.00 179.45 181.08 2kly h GLN 15 N 0.72 1.04 0.00 3.15 1.08 -0.68 0.54 115.11 120.96 2kly h GLN 15 Ca 0.34 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2kly h GLN 15 Cb 0.40 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2kly h GLN 15 CO -0.12 0.97 0.00 -0.07 -0.95 0.00 0.00 178.83 178.65 2kly h LEU 16 N 0.95 0.00 0.00 1.46 3.38 0.41 0.31 115.31 121.83 2kly h LEU 16 Ca 0.19 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 2kly h LEU 16 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2kly h LEU 16 CO 0.01 0.00 -1.05 0.74 0.09 0.00 0.00 178.44 178.23 2kly h THR 17 N 0.00 0.65 -0.41 0.22 2.02 0.26 -3.29 112.91 112.37 2kly h THR 17 Ca 0.00 -1.85 -0.07 0.00 0.77 0.00 0.00 66.41 65.26 2kly h THR 17 Cb 0.35 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2kly h THR 17 CO 0.00 0.22 -0.02 -0.07 0.37 0.00 0.00 175.52 176.02 2kly h LEU 18 N -1.00 0.72 -6.33 2.58 -0.00 0.11 -3.39 115.31 108.01 2kly h LEU 18 Ca -0.25 -0.32 -0.59 0.00 -0.00 0.00 0.00 57.88 56.72 2kly h LEU 18 Cb 1.08 -0.20 -0.38 0.00 -0.00 0.00 0.00 40.66 41.16 2kly h LEU 18 CO -0.15 0.87 -0.98 0.59 -0.00 0.00 0.00 178.44 178.76 2kly n ASN 19 N -4.41 -0.24 -4.60 -0.43 3.02 0.11 -5.08 115.26 103.62 2kly n ASN 19 Ca -0.01 -2.46 -0.43 0.00 -0.03 0.00 0.00 54.58 51.66 2kly n ASN 19 Cb 0.30 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 2kly n ASN 19 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kly s PRO 20 N -0.20 3.81 -0.26 3.52 0.04 -1.24 -4.45 135.00 136.22 2kly s PRO 20 Ca 0.33 0.55 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 2kly s PRO 20 Cb 0.06 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2kly s PRO 20 CO -0.18 -1.00 2.04 -1.25 0.04 0.00 0.00 177.00 176.64 2kly s PRO 21 N 3.57 3.24 0.27 0.56 0.04 -1.26 -4.93 135.00 136.48 2kly s PRO 21 Ca 0.39 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 2kly s PRO 21 Cb -0.11 -4.29 -0.13 0.00 0.04 0.00 0.00 34.50 30.00 2kly s PRO 21 CO 0.20 -1.97 1.32 -0.85 0.04 0.00 0.00 177.00 175.74 2kly n GLU 22 N 8.58 1.92 0.00 4.56 0.28 -1.26 -1.71 120.64 133.02 2kly n GLU 22 Ca 0.27 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.95 2kly n GLU 22 Cb 0.46 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.05 2kly n GLU 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kly n GLY 23 N 1.69 2.17 3.20 -1.84 0.00 -1.26 -5.03 105.19 104.12 2kly n GLY 23 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.62 2.77 -0.13 -0.61 1.09 -0.69 -1.17 121.20 119.84 2kly s ILE 24 Ca 0.00 -0.87 0.01 0.00 -1.10 0.00 0.00 60.65 58.69 2kly s ILE 24 Cb 0.00 -2.31 0.02 0.00 -1.06 0.00 0.00 42.46 39.11 2kly s ILE 24 CO 0.00 0.35 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.34 2kly s VAL 25 N 1.35 1.64 -0.19 2.92 1.01 -0.81 -4.71 120.40 121.60 2kly s VAL 25 Ca 0.03 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2kly s VAL 25 Cb -0.15 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.78 2kly s VAL 25 CO -0.07 0.47 0.50 0.00 0.00 0.00 0.00 175.10 176.01 2kly s ALA 26 N 1.16 -1.26 0.06 5.51 0.00 -1.26 0.28 121.76 126.24 2kly s ALA 26 Ca -0.02 1.51 -0.19 0.00 0.00 0.00 0.00 51.96 53.27 2kly s ALA 26 Cb -0.14 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.13 2kly s ALA 26 CO -0.06 -0.25 0.43 0.20 0.00 0.00 0.00 175.76 176.08 2kly s GLY 27 N 0.55 -0.31 0.19 0.00 0.00 -0.61 -4.97 107.32 102.16 2kly s GLY 27 Ca -0.02 0.32 -0.33 0.00 0.00 0.00 0.00 44.72 44.69 2kly s GLY 27 CO -0.03 0.06 1.57 -1.05 0.00 0.00 0.00 173.10 173.64 2kly n PRO 28 N 0.39 2.24 -2.06 2.90 -0.02 -1.26 -0.14 135.00 137.05 2kly n PRO 28 Ca -0.18 0.81 -0.30 0.00 -2.02 0.00 0.00 63.50 61.80 2kly n PRO 28 Cb 0.60 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2kly n PRO 28 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2kly s MET 29 N 0.63 2.59 -0.04 -0.52 1.75 0.46 -3.70 119.30 120.48 2kly s MET 29 Ca 0.76 -0.06 -0.03 0.00 -1.25 0.00 0.00 55.69 55.11 2kly s MET 29 Cb -0.64 -4.88 0.01 0.00 2.84 0.00 0.00 34.83 32.16 2kly s MET 29 CO 0.40 -3.17 0.06 -1.71 -0.65 0.00 0.00 175.02 169.94 2kly n ASN 30 N 13.53 -2.73 -0.65 1.11 5.15 -1.26 -4.58 115.26 125.83 2kly n ASN 30 Ca 0.34 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.92 2kly n ASN 30 Cb 0.48 -2.62 0.00 0.00 -0.53 0.00 0.00 39.78 37.11 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 0.67 0.57 -0.07 1.20 1.02 -1.24 -0.50 120.64 122.29 2kly n GLU 31 Ca -0.10 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.88 2kly n GLU 31 Cb 0.16 -1.26 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 2kly n GLU 31 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kly n GLU 32 N 0.36 0.68 -2.97 3.49 0.28 -1.26 -4.73 120.64 116.50 2kly n GLU 32 Ca 0.00 0.16 -0.44 0.00 -0.16 0.00 0.00 57.16 56.72 2kly n GLU 32 Cb 0.19 -1.61 -0.02 0.00 1.43 0.00 0.00 31.44 31.42 2kly n GLU 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2kly s ASN 33 N -6.34 6.65 0.00 -1.84 2.47 0.35 -4.83 114.94 111.39 2kly s ASN 33 Ca -0.21 -2.12 0.30 0.00 0.42 0.00 0.00 52.86 51.25 2kly s ASN 33 Cb 0.08 -2.38 1.50 0.00 -1.45 0.00 0.00 41.25 39.00 2kly s ASN 33 CO 0.73 -1.01 2.02 0.49 -3.72 0.00 0.00 177.10 175.61 2kly n PHE 34 N 6.26 0.00 -0.39 0.43 3.01 -1.26 -3.47 117.46 122.04 2kly n PHE 34 Ca 0.23 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.76 2kly n PHE 34 Cb 0.49 -0.14 0.32 0.00 -0.01 0.00 0.00 39.48 40.13 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 -0.97 1.48 -3.56 1.38 3.72 -1.26 -4.76 117.46 113.50 2kly n PHE 35 Ca 0.18 -0.54 -0.03 0.00 -0.05 0.00 0.00 57.45 57.01 2kly n PHE 35 Cb 0.22 -0.33 -0.05 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.12 0.49 0.10 -1.08 2.56 -1.23 -0.30 118.70 117.14 2kly s GLU 36 Ca 0.44 1.22 0.10 0.00 0.00 0.00 0.00 54.97 56.72 2kly s GLU 36 Cb 0.31 0.60 -0.04 0.00 2.00 0.00 0.00 34.13 37.00 2kly s GLU 36 CO 0.17 -0.31 -0.23 -1.58 -0.56 0.00 0.00 175.26 172.75 2kly s TRP 37 N 2.79 2.41 -0.10 5.30 0.52 0.42 -0.40 118.94 129.89 2kly s TRP 37 Ca 0.01 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.80 2kly s TRP 37 Cb -0.13 -1.32 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 2kly s TRP 37 CO -0.17 0.31 -0.14 -2.00 0.02 0.00 0.00 176.95 174.97 2kly s GLU 38 N -1.89 3.00 0.03 4.98 -6.30 0.80 -0.77 118.70 118.55 2kly s GLU 38 Ca 0.15 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 51.93 2kly s GLU 38 Cb -0.10 -2.52 -0.02 0.00 0.00 0.00 0.00 34.13 31.49 2kly s GLU 38 CO 0.07 0.39 -0.04 0.00 0.02 0.00 0.00 175.26 175.69 2kly s ALA 39 N -0.11 0.24 -0.23 6.30 0.00 0.12 -1.58 121.76 126.50 2kly s ALA 39 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2kly s ALA 39 Cb -0.14 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2kly s ALA 39 CO 0.04 -0.14 -0.07 -0.51 0.00 0.00 0.00 175.76 175.08 2kly s LEU 40 N -1.56 2.90 -0.51 0.00 1.02 0.14 -0.18 118.68 120.50 2kly s LEU 40 Ca -0.14 -0.57 -0.14 0.00 0.02 0.00 0.00 54.13 53.30 2kly s LEU 40 Cb -0.09 -1.69 0.12 0.00 0.02 0.00 0.00 46.19 44.55 2kly s LEU 40 CO -0.01 -0.05 0.44 -0.63 0.02 0.00 0.00 176.35 176.12 2kly s ILE 41 N 1.41 4.98 -0.09 -0.59 -1.09 0.56 -1.93 121.20 124.45 2kly s ILE 41 Ca 0.04 -1.48 -0.27 0.00 -2.23 0.00 0.00 60.65 56.71 2kly s ILE 41 Cb -0.15 -4.17 -0.02 0.00 -1.58 0.00 0.00 42.46 36.54 2kly s ILE 41 CO -0.05 -0.79 0.89 -0.04 -1.23 0.00 0.00 174.94 173.72 2kly s MET 42 N 1.55 4.43 0.30 2.79 -1.94 -0.31 -0.68 119.30 125.44 2kly s MET 42 Ca 0.04 1.19 -0.27 0.00 -1.71 0.00 0.00 55.69 54.94 2kly s MET 42 Cb -0.28 -3.51 -0.14 0.00 2.01 0.00 0.00 34.83 32.90 2kly s MET 42 CO 0.03 -0.17 0.76 0.41 -0.01 0.00 0.00 175.02 176.04 2kly n GLY 43 N 3.15 -0.98 0.00 -0.03 0.00 0.30 -4.80 105.19 102.82 2kly n GLY 43 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.77 0.00 0.00 1.61 -0.02 -1.26 -4.28 135.00 131.82 2kly n PRO 44 Ca 0.12 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2kly n PRO 44 Cb 0.32 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 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 -0.45 0.00 -2.71 -0.52 2.13 -1.26 -4.99 120.64 112.85 2kly n GLU 45 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2kly n GLU 45 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 2kly n GLU 45 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kly n ASP 46 N 0.00 -1.34 -2.52 4.31 2.03 -1.26 -5.01 116.55 112.76 2kly n ASP 46 Ca 0.00 -2.62 -0.13 0.00 0.52 0.00 0.00 54.79 52.56 2kly n ASP 46 Cb 0.00 0.81 -0.05 0.00 -0.72 0.00 0.00 41.12 41.16 2kly n ASP 46 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kly n THR 47 N -0.41 0.00 1.81 5.18 -2.24 -1.26 -5.02 114.28 112.33 2kly n THR 47 Ca 0.00 -1.64 0.11 0.00 -2.27 0.00 0.00 64.05 60.25 2kly n THR 47 Cb 0.83 0.83 0.58 0.00 -2.10 0.00 0.00 70.33 70.46 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 -0.53 0.00 0.00 0.00 3.72 -1.26 -3.20 117.46 116.18 2kly n PHE 49 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2kly n PHE 49 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2kly n PHE 49 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2kly n GLU 50 N -0.29 0.00 0.31 -1.08 2.13 -1.12 -0.84 120.64 119.75 2kly n GLU 50 Ca 0.00 0.53 0.04 0.00 0.66 0.00 0.00 57.16 58.39 2kly n GLU 50 Cb 0.02 -1.24 0.23 0.00 0.27 0.00 0.00 31.44 30.72 2kly n GLU 50 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2kly h PHE 51 N 0.00 0.00 -3.91 4.31 -1.00 -1.84 -0.97 116.94 113.52 2kly h PHE 51 Ca 0.00 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.29 2kly h PHE 51 Cb 0.00 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.58 2kly h PHE 51 CO -0.21 0.00 0.43 0.20 -1.61 0.00 0.00 178.31 177.12 2kly s GLY 52 N -3.16 2.84 -0.33 -1.45 0.00 -0.02 -4.84 107.32 100.35 2kly s GLY 52 Ca -0.01 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.50 2kly s GLY 52 CO 0.08 1.24 0.06 0.14 0.00 0.00 0.00 173.10 174.62 2kly s VAL 53 N -1.50 1.91 -0.40 1.40 1.01 -1.26 -0.54 120.40 121.01 2kly s VAL 53 Ca 0.54 -2.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.30 2kly s VAL 53 Cb -0.25 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.76 2kly s VAL 53 CO 0.32 -0.62 0.25 -0.36 0.00 0.00 0.00 175.10 174.68 2kly s PHE 54 N 1.08 3.26 0.33 5.22 0.08 0.15 -4.84 117.98 123.26 2kly s PHE 54 Ca 0.11 -1.05 -0.28 0.00 0.12 0.00 0.00 56.93 55.83 2kly s PHE 54 Cb -0.19 -2.65 -0.09 0.00 -0.57 0.00 0.00 43.02 39.52 2kly s PHE 54 CO -0.13 -0.71 1.17 -1.25 -0.10 0.00 0.00 175.22 174.20 2kly s PRO 55 N 1.55 4.39 0.11 0.24 0.04 -1.26 -0.33 135.00 139.74 2kly s PRO 55 Ca 0.03 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 2kly s PRO 55 Cb -0.21 -2.98 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 2kly s PRO 55 CO 0.06 -0.05 0.22 0.00 0.04 0.00 0.00 177.00 177.28 2kly s ALA 56 N -1.25 -0.17 -0.06 8.56 0.00 0.75 -1.08 121.76 128.51 2kly s ALA 56 Ca 0.50 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.81 2kly s ALA 56 Cb -0.33 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2kly s ALA 56 CO 0.42 -0.55 -0.17 0.42 0.00 0.00 0.00 175.76 175.88 2kly s ILE 57 N -3.89 1.45 -0.21 0.00 1.01 0.85 0.13 121.20 120.53 2kly s ILE 57 Ca 0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 2kly s ILE 57 Cb 0.04 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 2kly s ILE 57 CO -0.08 0.42 -0.05 -0.76 0.00 0.00 0.00 174.94 174.47 2kly s LEU 58 N 0.25 2.92 -0.27 2.97 1.02 0.05 -1.52 118.68 124.10 2kly s LEU 58 Ca -0.09 -0.36 -0.09 0.00 0.02 0.00 0.00 54.13 53.61 2kly s LEU 58 Cb -0.14 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 2kly s LEU 58 CO 0.04 0.01 0.14 -0.55 0.02 0.00 0.00 176.35 176.01 2kly s SER 59 N 1.29 5.63 -0.18 2.29 0.15 0.67 -0.43 113.70 123.12 2kly s SER 59 Ca 0.03 -0.12 -0.09 0.00 0.70 0.00 0.00 55.95 56.47 2kly s SER 59 Cb -0.14 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 62.09 2kly s SER 59 CO -0.02 -0.05 0.12 -0.36 1.20 0.00 0.00 173.24 174.13 2kly s PHE 60 N 1.69 3.41 0.53 3.44 0.08 0.59 -0.44 117.98 127.29 2kly s PHE 60 Ca 0.07 0.32 -0.16 0.00 0.12 0.00 0.00 56.93 57.27 2kly s PHE 60 Cb -0.16 -2.10 -0.07 0.00 -0.57 0.00 0.00 43.02 40.12 2kly s PHE 60 CO 0.08 0.34 1.00 -1.25 -0.10 0.00 0.00 175.22 175.29 2kly s PRO 61 N 0.11 3.82 0.00 0.24 0.04 -1.26 -4.75 135.00 133.20 2kly s PRO 61 Ca 0.08 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2kly s PRO 61 Cb -0.11 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2kly s PRO 61 CO -0.01 -0.38 0.99 1.28 0.04 0.00 0.00 177.00 178.92 2kly n LEU 62 N -1.74 2.79 0.00 -3.56 4.77 -1.26 -1.82 117.00 116.18 2kly n LEU 62 Ca 0.07 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 2kly n LEU 62 Cb 0.54 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2kly n LEU 62 CO 0.47 0.50 0.00 0.47 -1.33 0.00 0.00 177.39 177.50 2kly n ASP 63 N 1.01 0.00 -4.68 -1.43 8.00 -1.26 -4.34 116.55 113.84 2kly n ASP 63 Ca 0.00 -0.41 -0.39 0.00 0.71 0.00 0.00 54.79 54.70 2kly n ASP 63 Cb 0.36 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.00 1.75 -0.71 1.24 9.36 -0.76 -0.83 117.16 127.21 2kly n TYR 64 Ca 0.00 0.46 -0.18 0.00 3.32 0.00 0.00 57.90 61.50 2kly n TYR 64 Cb 0.10 -2.29 0.14 0.00 -0.63 0.00 0.00 39.34 36.66 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 -0.63 1.96 0.10 2.98 -0.04 -1.26 -2.42 135.00 135.69 2kly n PRO 65 Ca 0.10 -2.30 -0.17 0.00 -0.04 0.00 0.00 63.50 61.09 2kly n PRO 65 Cb 0.43 -1.90 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 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 1.02 0.58 -9.37 1.53 3.38 -1.40 -3.42 115.31 107.64 2kly h LEU 66 Ca 0.49 -0.56 -0.66 0.00 0.09 0.00 0.00 57.88 57.24 2kly h LEU 66 Cb 2.41 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 42.84 2kly h LEU 66 CO 0.85 1.40 -0.69 -0.94 0.09 0.00 0.00 178.44 179.16 2kly s SER 67 N -7.23 4.80 0.05 -0.43 1.04 -1.20 -4.99 113.70 105.74 2kly s SER 67 Ca -0.06 -0.23 -0.31 0.00 0.48 0.00 0.00 55.95 55.84 2kly s SER 67 Cb 0.07 -1.08 -0.07 0.00 0.10 0.00 0.00 66.02 65.04 2kly s SER 67 CO 0.90 0.19 1.45 -2.84 0.98 0.00 0.00 173.24 173.92 2kly s PRO 68 N -2.14 4.28 0.80 4.02 0.02 -1.26 -4.54 135.00 136.18 2kly s PRO 68 Ca 0.23 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 2kly s PRO 68 Cb -0.11 -3.47 0.07 0.00 0.02 0.00 0.00 34.50 31.00 2kly s PRO 68 CO 0.15 -0.56 1.09 -1.25 -0.33 0.00 0.00 177.00 176.10 2kly s PRO 69 N 2.03 2.06 0.14 5.54 0.04 -1.26 -4.87 135.00 138.68 2kly s PRO 69 Ca 0.66 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 2kly s PRO 69 Cb -0.35 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2kly s PRO 69 CO 0.29 -1.76 0.45 0.21 0.04 0.00 0.00 177.00 176.23 2kly s LYS 70 N -4.92 3.76 -0.13 4.56 2.20 0.42 -4.89 119.74 120.74 2kly s LYS 70 Ca 0.62 0.17 -0.07 0.00 -0.36 0.00 0.00 55.97 56.32 2kly s LYS 70 Cb -0.17 -2.87 0.05 0.00 -1.51 0.00 0.00 37.83 33.33 2kly s LYS 70 CO 0.56 0.47 0.31 1.41 -0.36 0.00 0.00 175.35 177.74 2kly s MET 71 N -2.33 0.28 0.00 4.03 1.75 -1.26 -0.23 119.30 121.54 2kly s MET 71 Ca 0.39 0.61 -0.03 0.00 -1.25 0.00 0.00 55.69 55.41 2kly s MET 71 Cb -0.13 -0.06 -0.01 0.00 2.84 0.00 0.00 34.83 37.47 2kly s MET 71 CO 0.21 -0.15 0.04 -0.98 -0.65 0.00 0.00 175.02 173.49 2kly s ARG 72 N 1.21 0.28 -0.02 4.11 1.70 -0.57 -2.97 118.95 122.69 2kly s ARG 72 Ca -0.09 -0.33 -0.16 0.00 -0.47 0.00 0.00 55.73 54.69 2kly s ARG 72 Cb -0.09 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.34 2kly s ARG 72 CO -0.09 -0.05 0.43 -0.06 -1.08 0.00 0.00 175.30 174.44 2kly s PHE 73 N -0.95 3.69 -2.61 5.89 0.40 -1.15 -0.10 117.98 123.15 2kly s PHE 73 Ca -0.10 0.99 0.22 0.00 -0.60 0.00 0.00 56.93 57.43 2kly s PHE 73 Cb -0.06 -2.35 0.24 0.00 0.51 0.00 0.00 43.02 41.36 2kly s PHE 73 CO 0.00 0.55 1.25 0.25 0.70 0.00 0.00 175.22 177.96 2kly n THR 74 N 2.18 0.16 -3.94 0.64 -2.24 -0.24 -4.78 114.28 106.06 2kly n THR 74 Ca -0.12 -0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 60.87 2kly n THR 74 Cb 0.52 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 70.03 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 -3.97 3.87 0.12 0.00 2.56 -1.26 -5.00 118.70 115.03 2kly s GLU 76 Ca 0.35 2.13 -0.18 0.00 0.00 0.00 0.00 54.97 57.27 2kly s GLU 76 Cb -0.09 -2.68 0.04 0.00 2.00 0.00 0.00 34.13 33.41 2kly s GLU 76 CO 0.28 -0.56 0.45 1.41 -0.56 0.00 0.00 175.26 176.28 2kly s MET 77 N -2.35 1.10 -0.38 4.30 -2.45 -1.26 -4.99 119.30 113.27 2kly s MET 77 Ca 0.59 -0.61 0.03 0.00 -1.25 0.00 0.00 55.69 54.45 2kly s MET 77 Cb -0.37 0.49 0.16 0.00 1.25 0.00 0.00 34.83 36.36 2kly s MET 77 CO 0.47 -0.44 0.39 0.12 1.05 0.00 0.00 175.02 176.61 2kly s PHE 78 N -3.65 -0.22 -0.10 4.11 5.36 -1.26 -5.03 117.98 117.19 2kly s PHE 78 Ca 0.02 -0.96 -0.06 0.00 -0.96 0.00 0.00 56.93 54.97 2kly s PHE 78 Cb 0.01 -0.43 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 2kly s PHE 78 CO -0.11 -0.97 0.23 -1.58 -1.46 0.00 0.00 175.22 171.33 2kly s HIS 79 N 1.27 -0.29 0.40 10.12 2.46 -1.26 -4.90 115.29 123.08 2kly s HIS 79 Ca 0.19 0.71 0.07 0.00 0.47 0.00 0.00 55.06 56.50 2kly s HIS 79 Cb -0.14 0.04 0.83 0.00 -0.13 0.00 0.00 32.58 33.19 2kly s HIS 79 CO -0.03 -0.20 2.03 -1.35 -2.47 0.00 0.00 174.74 172.72 2kly h PRO 80 N 6.87 0.59 0.00 2.88 0.11 -1.81 -0.04 132.00 140.60 2kly h PRO 80 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2kly h PRO 80 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2kly h PRO 80 CO 0.38 0.39 0.00 -1.71 -0.21 0.00 0.00 178.00 176.85 2kly n ASN 81 N -4.47 0.10 -4.80 -2.05 2.85 -1.26 0.21 115.26 105.84 2kly n ASN 81 Ca 0.05 0.51 -0.36 0.00 -0.11 0.00 0.00 54.58 54.67 2kly n ASN 81 Cb 0.11 -0.54 -0.07 0.00 1.24 0.00 0.00 39.78 40.53 2kly n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kly s ILE 82 N -3.01 5.43 0.61 -1.44 1.01 -0.03 -1.58 121.20 122.19 2kly s ILE 82 Ca 0.13 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 2kly s ILE 82 Cb 0.18 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2kly s ILE 82 CO 0.52 0.52 1.11 -0.31 0.00 0.00 0.00 174.94 176.78 2kly s TYR 83 N -0.27 2.66 0.47 3.97 2.02 0.14 -3.26 117.35 123.09 2kly s TYR 83 Ca 0.12 1.55 0.35 0.00 -0.37 0.00 0.00 57.07 58.71 2kly s TYR 83 Cb -0.12 -3.21 1.82 0.00 -0.40 0.00 0.00 41.96 40.06 2kly s TYR 83 CO 0.01 -1.60 2.19 -1.35 -1.57 0.00 0.00 175.55 173.23 2kly h PRO 84 N 0.55 0.00 -0.01 -1.71 0.11 -1.89 0.21 132.00 129.27 2kly h PRO 84 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kly h PRO 84 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kly h PRO 84 CO 0.55 0.04 -0.08 -0.40 -0.21 0.00 0.00 178.00 177.90 2kly n ASP 85 N -3.40 0.67 0.00 -2.05 5.75 -1.26 -4.92 116.55 111.34 2kly n ASP 85 Ca -0.02 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 2kly n ASP 85 Cb 0.17 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.22 2.15 3.70 6.12 0.00 0.72 -4.89 105.19 114.22 2kly n GLY 86 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.43 2.40 -3.02 1.61 0.63 -1.25 -2.92 116.66 113.69 2kly n ARG 87 Ca 0.00 0.86 -0.40 0.00 -0.92 0.00 0.00 57.85 57.39 2kly n ARG 87 Cb 0.00 -2.62 -0.05 0.00 0.45 0.00 0.00 32.46 30.24 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 0.48 4.98 -0.03 5.15 1.01 -1.16 0.26 120.40 131.09 2kly s VAL 88 Ca 0.71 1.42 -0.22 0.00 0.00 0.00 0.00 61.98 63.90 2kly s VAL 88 Cb -0.59 -4.04 -0.26 0.00 0.00 0.00 0.00 36.38 31.49 2kly s VAL 88 CO 0.42 0.13 1.00 0.00 0.00 0.00 0.00 175.10 176.66 2kly n ILE 90 N -4.26 0.00 0.14 0.00 -5.35 -1.26 -4.07 119.36 104.56 2kly n ILE 90 Ca -0.11 0.00 0.19 0.00 -0.27 0.00 0.00 62.75 62.56 2kly n ILE 90 Cb 0.68 0.00 0.75 0.00 -1.74 0.00 0.00 39.64 39.33 2kly n ILE 90 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2kly h SER 91 N 0.25 0.00 -0.48 7.28 0.02 -1.94 -0.27 113.55 118.40 2kly h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kly h SER 91 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2kly h SER 91 CO 0.00 0.00 0.31 -0.29 -1.14 0.00 0.00 176.83 175.71 2kly h ILE 92 N 0.00 1.13 -0.02 3.27 2.10 -1.63 -2.25 117.51 120.11 2kly h ILE 92 Ca 0.16 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2kly h ILE 92 Cb 1.01 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 2kly h ILE 92 CO -0.00 0.13 -0.07 0.18 -1.08 0.00 0.00 178.15 177.31 2kly n LEU 93 N -4.74 1.88 0.00 2.19 4.77 -0.16 -2.05 117.00 118.89 2kly n LEU 93 Ca 0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2kly n LEU 93 Cb 0.03 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2kly n LEU 93 CO 0.35 0.32 0.00 1.57 -1.33 0.00 0.00 177.39 178.30 2kly n HIS 94 N 0.36 0.00 -3.54 -1.77 -0.00 -0.86 -4.76 115.22 104.65 2kly n HIS 94 Ca 0.16 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.20 2kly n HIS 94 Cb 0.43 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.25 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 -4.28 -1.84 -0.07 1.57 0.00 -1.17 -5.02 121.76 110.94 2kly s ALA 95 Ca 0.00 1.41 0.29 0.00 0.00 0.00 0.00 51.96 53.66 2kly s ALA 95 Cb 0.00 -0.28 0.99 0.00 0.00 0.00 0.00 23.12 23.83 2kly s ALA 95 CO 0.00 -0.36 1.85 -1.35 0.00 0.00 0.00 175.76 175.89 2kly h PRO 96 N 2.74 0.00 -2.14 0.00 0.11 -1.95 -3.31 132.00 127.46 2kly h PRO 96 Ca -0.23 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.32 2kly h PRO 96 Cb 1.16 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.86 2kly h PRO 96 CO 0.35 0.02 -0.87 0.41 -0.21 0.00 0.00 178.00 177.70 2kly n GLY 97 N 0.40 4.39 1.42 -0.55 0.00 -1.26 -4.94 105.19 104.64 2kly n GLY 97 Ca 0.02 -2.26 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 2kly n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kly n ASP 98 N 0.43 3.66 -0.75 1.61 5.75 -1.25 -4.94 116.55 121.05 2kly n ASP 98 Ca 0.27 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 2kly n ASP 98 Cb 0.50 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 2kly n ASP 98 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2kly n ASP 99 N 0.14 -4.42 -3.88 -1.12 8.00 -1.26 -4.59 116.55 109.42 2kly n ASP 99 Ca 0.18 0.69 -0.40 0.00 0.71 0.00 0.00 54.79 55.97 2kly n ASP 99 Cb 0.80 -1.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 2kly n ASP 99 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2kly n PRO 100 N -1.30 1.54 0.00 -0.24 -0.02 -1.26 -4.58 135.00 129.14 2kly n PRO 100 Ca 0.00 -2.02 0.14 0.00 -2.02 0.00 0.00 63.50 59.60 2kly n PRO 100 Cb 0.07 -3.13 0.59 0.00 -0.02 0.00 0.00 33.50 31.01 2kly n PRO 100 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2kly n MET 101 N 7.35 0.44 -2.13 -0.52 2.81 -1.26 -4.92 117.12 118.89 2kly n MET 101 Ca 0.48 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 2kly n MET 101 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 1.35 0.87 3.77 3.03 0.00 -1.26 -4.62 105.19 108.32 2kly n GLY 102 Ca 0.12 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 2kly n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kly s TYR 103 N -2.86 3.01 0.21 1.61 5.04 -1.26 -4.84 117.35 118.25 2kly s TYR 103 Ca 0.00 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.16 2kly s TYR 103 Cb 0.00 -3.52 -0.01 0.00 0.35 0.00 0.00 41.96 38.77 2kly s TYR 103 CO 0.00 -1.62 0.14 0.39 -1.34 0.00 0.00 175.55 173.12 2kly n GLU 104 N 0.27 0.39 0.00 4.97 -0.58 -1.26 -4.85 120.64 119.57 2kly n GLU 104 Ca 0.03 -1.96 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 2kly n GLU 104 Cb 0.45 1.44 0.00 0.00 -0.57 0.00 0.00 31.44 32.75 2kly n GLU 104 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2kly n SER 105 N -2.09 0.00 -0.04 1.62 7.64 -1.26 -2.72 113.62 116.77 2kly n SER 105 Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 2kly n SER 105 Cb 0.35 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.00 0.00 -6.41 6.43 0.02 -2.04 -3.48 113.55 108.07 2kly h SER 106 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2kly h SER 106 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 2kly h SER 106 CO 0.00 0.39 -0.85 0.00 -1.14 0.00 0.00 176.83 175.23 2kly n ALA 107 N -2.79 -1.79 -1.76 3.77 0.00 -1.10 -4.91 120.51 111.92 2kly n ALA 107 Ca -0.02 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 2kly n ALA 107 Cb 0.08 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.16 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 -6.48 4.57 0.07 0.00 0.41 -1.26 -4.98 118.70 111.03 2kly s GLU 108 Ca 0.21 1.86 0.09 0.00 -0.41 0.00 0.00 54.97 56.71 2kly s GLU 108 Cb -0.11 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.06 2kly s GLU 108 CO 0.87 0.13 -0.21 1.03 -0.49 0.00 0.00 175.26 176.59 2kly s ARG 109 N -1.54 1.85 0.01 1.61 3.00 -1.26 -1.80 118.95 120.81 2kly s ARG 109 Ca 0.46 -1.11 -0.32 0.00 0.00 0.00 0.00 55.73 54.75 2kly s ARG 109 Cb -0.33 -2.09 -0.11 0.00 0.00 0.00 0.00 34.95 32.43 2kly s ARG 109 CO 0.42 0.51 1.89 1.87 0.00 0.00 0.00 175.30 179.99 2kly n TRP 110 N 1.29 2.45 -4.06 -0.53 -0.00 -0.87 -4.91 117.44 110.82 2kly n TRP 110 Ca -0.16 -0.15 -0.09 0.00 -0.00 0.00 0.00 57.50 57.09 2kly n TRP 110 Cb 0.52 -2.72 -0.09 0.00 -0.00 0.00 0.00 31.31 29.02 2kly n TRP 110 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2kly s SER 111 N 3.79 0.23 0.00 5.87 0.01 -1.26 -5.02 113.70 117.32 2kly s SER 111 Ca 0.89 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2kly s SER 111 Cb -0.56 0.33 0.20 0.00 0.21 0.00 0.00 66.02 66.20 2kly s SER 111 CO 0.45 -0.76 0.97 -2.65 0.41 0.00 0.00 173.24 171.66 2kly n PRO 112 N -0.10 0.05 0.00 12.44 -0.02 -1.26 -0.91 135.00 145.20 2kly n PRO 112 Ca -0.08 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2kly n PRO 112 Cb 0.63 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 33.08 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 -1.30 0.00 -3.02 -1.45 3.14 -1.26 -4.89 118.33 109.55 2kly n VAL 113 Ca 0.02 -0.05 -0.35 0.00 -2.96 0.00 0.00 64.34 60.99 2kly n VAL 113 Cb 0.03 0.05 -0.06 0.00 -1.06 0.00 0.00 33.84 32.80 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 -2.67 4.26 0.25 1.45 -1.52 -0.09 -5.07 119.66 116.28 2kly s GLN 114 Ca 0.22 0.94 0.01 0.00 -1.95 0.00 0.00 55.36 54.58 2kly s GLN 114 Cb 0.19 -2.70 -0.05 0.00 -0.22 0.00 0.00 33.01 30.23 2kly s GLN 114 CO 0.54 0.28 0.08 -1.54 -0.25 0.00 0.00 175.29 174.41 2kly s SER 115 N -1.82 1.26 0.32 5.90 1.04 -1.26 -4.99 113.70 114.14 2kly s SER 115 Ca 0.48 -1.35 0.11 0.00 0.48 0.00 0.00 55.95 55.68 2kly s SER 115 Cb -0.15 0.14 0.52 0.00 0.10 0.00 0.00 66.02 66.64 2kly s SER 115 CO 0.20 -0.70 1.71 -0.37 0.98 0.00 0.00 173.24 175.07 2kly h VAL 116 N 2.42 1.36 0.32 5.02 -1.51 -1.97 -1.44 116.25 120.45 2kly h VAL 116 Ca -0.38 -1.72 -0.02 0.00 -1.23 0.00 0.00 66.70 63.36 2kly h VAL 116 Cb 1.24 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 2kly h VAL 116 CO 0.62 0.49 -0.15 -0.08 -1.23 0.00 0.00 177.57 177.21 2kly h GLU 117 N 0.01 -0.42 -0.82 5.19 4.81 -1.96 -2.51 114.58 118.88 2kly h GLU 117 Ca -0.00 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2kly h GLU 117 Cb 0.89 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 2kly h GLU 117 CO 0.07 -0.23 0.44 -0.22 -0.73 0.00 0.00 179.01 178.33 2kly h LYS 118 N -0.51 1.16 -0.01 1.92 3.64 -1.89 -1.48 116.57 119.40 2kly h LYS 118 Ca -0.04 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2kly h LYS 118 Cb 0.38 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2kly h LYS 118 CO 0.07 0.87 -0.06 0.82 -2.27 0.00 0.00 179.45 178.88 2kly h ILE 119 N 1.15 0.83 0.00 2.00 2.04 -1.23 0.86 117.51 123.16 2kly h ILE 119 Ca 0.29 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.04 2kly h ILE 119 Cb 0.06 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2kly h ILE 119 CO -0.04 0.00 -0.50 -0.07 0.00 0.00 0.00 178.15 177.54 2kly h LEU 120 N -0.11 0.00 -0.88 1.44 4.07 -1.25 -0.61 115.31 117.97 2kly h LEU 120 Ca 0.03 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 2kly h LEU 120 Cb 0.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2kly h LEU 120 CO -0.07 0.50 -0.51 -0.07 -1.08 0.00 0.00 178.44 177.20 2kly h LEU 121 N 0.00 0.12 -0.90 1.67 -0.00 -1.01 -1.00 115.31 114.19 2kly h LEU 121 Ca -0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 57.88 57.71 2kly h LEU 121 Cb 1.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 2kly h LEU 121 CO 0.06 0.62 -0.32 0.28 -0.00 0.00 0.00 178.44 179.09 2kly h SER 122 N 0.09 0.44 -0.30 -0.43 0.02 0.04 -0.65 113.55 112.75 2kly h SER 122 Ca 0.00 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2kly h SER 122 Cb 0.94 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2kly h SER 122 CO 0.07 0.74 0.12 0.58 -1.14 0.00 0.00 176.83 177.20 2kly h VAL 123 N 0.37 1.18 -0.93 2.27 2.07 -0.66 -1.50 116.25 119.06 2kly h VAL 123 Ca 0.05 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2kly h VAL 123 Cb 0.74 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 2kly h VAL 123 CO 0.06 0.19 0.60 0.58 0.02 0.00 0.00 177.57 179.02 2kly h VAL 124 N 0.34 1.13 -0.55 2.57 2.07 -0.90 -1.02 116.25 119.90 2kly h VAL 124 Ca 0.10 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2kly h VAL 124 Cb 0.19 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 2kly h VAL 124 CO -0.01 0.21 0.08 0.28 0.02 0.00 0.00 177.57 178.15 2kly h SER 125 N 1.14 0.88 0.44 0.57 0.02 -0.84 -2.57 113.55 113.19 2kly h SER 125 Ca 0.38 -0.26 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 2kly h SER 125 Cb 0.05 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2kly h SER 125 CO -0.14 0.92 -0.56 0.00 -1.14 0.00 0.00 176.83 175.92 2kly h MET 126 N 0.80 0.12 -0.06 3.45 -0.00 -0.92 0.11 114.93 118.44 2kly h MET 126 Ca 0.17 -0.08 -0.05 0.00 -0.00 0.00 0.00 59.70 59.74 2kly h MET 126 Cb 0.42 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 2kly h MET 126 CO 0.01 0.65 -0.20 -0.07 -0.00 0.00 0.00 176.91 177.30 2kly h LEU 127 N 0.10 0.10 0.00 -0.10 3.38 -0.90 -2.75 115.31 115.13 2kly h LEU 127 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kly h LEU 127 Cb 1.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kly h LEU 127 CO 0.08 0.31 -0.03 0.00 0.09 0.00 0.00 178.44 178.88 2kly h ALA 128 N 1.70 0.00 -2.47 1.53 0.00 -1.15 -3.45 119.26 115.42 2kly h ALA 128 Ca 0.02 -0.10 -0.73 0.00 0.00 0.00 0.00 54.91 54.10 2kly h ALA 128 Cb 0.41 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.01 2kly h ALA 128 CO 0.03 0.03 -0.39 -2.00 0.00 0.00 0.00 179.25 176.92 2kly s GLU 129 N -1.16 2.91 0.67 0.00 2.12 0.36 -5.02 118.70 118.59 2kly s GLU 129 Ca -0.01 -1.24 -0.11 0.00 0.36 0.00 0.00 54.97 53.97 2kly s GLU 129 Cb 0.00 -4.00 0.17 0.00 0.26 0.00 0.00 34.13 30.56 2kly s GLU 129 CO 0.01 -0.91 0.38 -2.30 -0.54 0.00 0.00 175.26 171.91 2kly n PRO 130 N 5.13 -2.90 -3.48 4.30 -0.02 -1.04 -3.83 135.00 133.17 2kly n PRO 130 Ca -0.12 -0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 60.30 2kly n PRO 130 Cb 0.45 -0.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.98 2kly n PRO 130 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2kly s ASN 131 N -2.38 6.01 -1.12 2.55 -0.87 -1.26 -4.96 114.94 112.91 2kly s ASN 131 Ca 0.29 -2.29 -0.08 0.00 -1.57 0.00 0.00 52.86 49.22 2kly s ASN 131 Cb -0.05 -2.07 -0.09 0.00 -0.02 0.00 0.00 41.25 39.02 2kly s ASN 131 CO 0.25 -0.63 3.01 0.47 -2.57 0.00 0.00 177.10 177.63 2kly n ASP 132 N 4.44 7.68 0.00 -1.22 9.92 -1.26 -3.73 116.55 132.38 2kly n ASP 132 Ca 0.00 -2.69 0.00 0.00 -0.53 0.00 0.00 54.79 51.57 2kly n ASP 132 Cb 0.42 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 2kly n ASP 132 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2kly n GLU 133 N 2.82 0.00 0.00 -1.24 0.00 -1.26 -5.02 120.64 115.94 2kly n GLU 133 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.82 2kly n GLU 133 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2kly n GLU 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2kly n SER 134 N -2.09 0.00 -1.00 -1.84 3.41 -1.24 -4.84 113.62 106.02 2kly n SER 134 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kly n SER 134 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kly n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kly n GLY 135 N 2.77 0.49 0.30 5.00 0.00 -1.25 -5.00 105.19 107.50 2kly n GLY 135 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.22 -2.22 4.61 0.00 -0.51 -3.33 119.26 117.58 2kly h ALA 136 Ca 0.00 0.06 -0.74 0.00 0.00 0.00 0.00 54.91 54.22 2kly h ALA 136 Cb 0.66 0.54 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 2kly h ALA 136 CO 0.00 -0.72 -0.27 1.21 0.00 0.00 0.00 179.25 179.47 2kly s ASN 137 N -4.99 6.16 0.32 0.00 2.47 0.59 -4.82 114.94 114.67 2kly s ASN 137 Ca -0.15 -1.44 0.07 0.00 0.42 0.00 0.00 52.86 51.75 2kly s ASN 137 Cb 0.11 -2.20 0.54 0.00 -1.45 0.00 0.00 41.25 38.25 2kly s ASN 137 CO 0.67 -0.73 1.76 0.58 -3.72 0.00 0.00 177.10 175.67 2kly h VAL 138 N 5.80 1.27 -0.48 -5.21 2.07 -1.86 -0.00 116.25 117.84 2kly h VAL 138 Ca -0.29 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 2kly h VAL 138 Cb 1.11 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2kly h VAL 138 CO 0.93 0.39 0.20 -0.78 0.02 0.00 0.00 177.57 178.33 2kly h ASP 139 N 0.24 0.62 0.29 0.57 3.58 -1.94 0.40 116.42 120.18 2kly h ASP 139 Ca 0.03 -0.07 -0.33 0.00 0.42 0.00 0.00 57.03 57.09 2kly h ASP 139 Cb 0.67 -0.16 0.04 0.00 1.72 0.00 0.00 39.33 41.60 2kly h ASP 139 CO 0.05 0.56 -1.44 0.00 -2.88 0.00 0.00 179.24 175.52 2kly h ALA 140 N 1.54 -0.13 -0.04 -0.78 0.00 -1.75 -2.59 119.26 115.51 2kly h ALA 140 Ca 0.17 -0.86 -0.19 0.00 0.00 0.00 0.00 54.91 54.03 2kly h ALA 140 Cb 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kly h ALA 140 CO -0.02 0.72 -0.79 0.66 0.00 0.00 0.00 179.25 179.83 2kly h SER 141 N 0.15 0.40 -0.21 0.00 4.64 -0.67 -1.15 113.55 116.71 2kly h SER 141 Ca -0.24 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 2kly h SER 141 Cb 2.14 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 64.10 2kly h SER 141 CO 0.27 1.04 -0.01 0.50 -0.87 0.00 0.00 176.83 177.75 2kly h LYS 142 N 0.21 0.38 -0.40 4.77 1.63 -0.32 0.25 116.57 123.09 2kly h LYS 142 Ca -0.04 -0.13 0.06 0.00 -0.85 0.00 0.00 60.65 59.69 2kly h LYS 142 Cb 1.37 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 2kly h LYS 142 CO 0.13 0.59 0.27 1.98 -3.45 0.00 0.00 179.45 178.96 2kly h MET 143 N 0.13 0.28 0.22 1.90 4.05 -1.38 0.19 114.93 120.32 2kly h MET 143 Ca 0.06 -0.02 -0.33 0.00 -0.28 0.00 0.00 59.70 59.13 2kly h MET 143 Cb 0.42 -0.06 0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2kly h MET 143 CO 0.01 0.19 -1.49 2.35 0.23 0.00 0.00 176.91 178.20 2kly h TRP 144 N 0.29 0.83 0.00 1.39 -0.00 -0.73 -2.41 115.95 115.33 2kly h TRP 144 Ca 0.17 -0.61 -0.22 0.00 -0.00 0.00 0.00 58.89 58.23 2kly h TRP 144 Cb 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 2kly h TRP 144 CO -0.00 1.53 -0.94 0.00 -0.00 0.00 0.00 178.44 179.02 2kly h ARG 145 N 0.12 0.37 0.16 2.65 2.47 -0.20 -3.31 114.38 116.65 2kly h ARG 145 Ca -0.25 -0.41 -0.28 0.00 -1.26 0.00 0.00 59.98 57.78 2kly h ARG 145 Cb 2.12 0.12 0.01 0.00 -1.65 0.00 0.00 29.97 30.57 2kly h ARG 145 CO 0.24 1.09 -1.33 0.22 0.56 0.00 0.00 179.97 180.75 2kly h ASP 146 N 0.21 0.54 -1.89 7.04 3.58 -0.73 -3.45 116.42 121.72 2kly h ASP 146 Ca -0.08 -0.91 -0.27 0.00 0.42 0.00 0.00 57.03 56.20 2kly h ASP 146 Cb 1.58 -0.18 -0.30 0.00 1.72 0.00 0.00 39.33 42.15 2kly h ASP 146 CO 0.16 1.61 -0.60 -0.62 -2.88 0.00 0.00 179.24 176.91 2kly s ASP 147 N -7.17 0.94 0.63 2.28 -1.08 -0.91 -5.00 116.67 106.36 2kly s ASP 147 Ca -0.15 -0.75 0.32 0.00 -0.52 0.00 0.00 52.55 51.44 2kly s ASP 147 Cb 0.04 0.82 1.73 0.00 -1.46 0.00 0.00 42.92 44.04 2kly s ASP 147 CO 0.83 -0.34 1.97 0.08 0.52 0.00 0.00 175.17 178.23 2kly h ARG 148 N 7.96 0.00 0.08 4.34 0.11 -1.72 -1.73 114.38 123.42 2kly h ARG 148 Ca -0.07 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.69 2kly h ARG 148 Cb 1.09 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.15 2kly h ARG 148 CO 0.27 0.00 -1.69 1.49 0.10 0.00 0.00 179.97 180.14 2kly h GLU 149 N 0.00 0.17 -0.61 0.08 4.81 -1.92 -1.82 114.58 115.29 2kly h GLU 149 Ca 0.00 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 2kly h GLU 149 Cb 0.48 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2kly h GLU 149 CO 0.00 0.95 0.18 1.96 -0.73 0.00 0.00 179.01 181.36 2kly h GLN 150 N 0.05 0.93 -0.06 1.92 1.08 -1.62 -1.59 115.11 115.81 2kly h GLN 150 Ca -0.29 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 2kly h GLN 150 Cb 2.01 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 29.30 2kly h GLN 150 CO 0.12 0.81 0.00 0.35 -0.95 0.00 0.00 178.83 179.15 2kly h PHE 151 N 0.89 0.11 -1.00 2.96 3.57 -1.46 -2.77 116.94 119.25 2kly h PHE 151 Ca 0.20 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.75 2kly h PHE 151 Cb 0.28 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 2kly h PHE 151 CO 0.02 0.36 0.64 1.88 -2.23 0.00 0.00 178.31 178.99 2kly h TYR 152 N -0.17 1.18 -0.16 0.41 0.05 -1.04 0.20 116.97 117.44 2kly h TYR 152 Ca 0.02 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.68 2kly h TYR 152 Cb 0.32 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.67 2kly h TYR 152 CO 0.03 0.60 -0.46 1.57 -1.05 0.00 0.00 178.16 178.85 2kly h LYS 153 N 1.15 0.59 -0.01 4.88 2.10 -1.31 -2.52 116.57 121.45 2kly h LYS 153 Ca 0.43 -0.43 -0.08 0.00 -2.00 0.00 0.00 60.65 58.58 2kly h LYS 153 Cb 0.20 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2kly h LYS 153 CO -0.18 1.05 -0.38 0.82 -2.00 0.00 0.00 179.45 178.75 2kly h ILE 154 N 0.25 1.28 0.19 0.07 2.04 -1.17 0.00 117.51 120.16 2kly h ILE 154 Ca -0.01 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 2kly h ILE 154 Cb 1.08 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2kly h ILE 154 CO 0.10 0.38 -0.12 0.00 0.00 0.00 0.00 178.15 178.51 2kly h ALA 155 N 1.60 -0.29 0.00 1.87 0.00 -0.51 -1.65 119.26 120.28 2kly h ALA 155 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kly h ALA 155 Cb 0.69 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2kly h ALA 155 CO 0.05 -0.67 -0.29 0.87 0.00 0.00 0.00 179.25 179.21 2kly h LYS 156 N -0.30 0.00 -0.09 0.00 1.57 -1.09 -1.65 116.57 115.00 2kly h LYS 156 Ca -0.02 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2kly h LYS 156 Cb 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2kly h LYS 156 CO 0.01 0.29 -0.15 0.37 -0.57 0.00 0.00 179.45 179.40 2kly h GLN 157 N 0.00 -0.20 -0.36 3.15 5.75 -0.53 0.21 115.11 123.14 2kly h GLN 157 Ca -0.00 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 2kly h GLN 157 Cb 0.53 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2kly h GLN 157 CO 0.04 -0.13 0.07 0.82 -2.65 0.00 0.00 178.83 176.98 2kly h ILE 158 N -0.20 1.18 -0.13 2.39 1.08 -0.82 -1.45 117.51 119.56 2kly h ILE 158 Ca 0.08 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 2kly h ILE 158 Cb 0.32 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 2kly h ILE 158 CO -0.21 0.23 0.07 0.58 -0.69 0.00 0.00 178.15 178.13 2kly h VAL 159 N 0.52 1.01 -0.47 1.67 2.07 -0.37 0.12 116.25 120.80 2kly h VAL 159 Ca 0.12 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.49 2kly h VAL 159 Cb 0.23 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2kly h VAL 159 CO -0.00 0.03 -0.10 1.56 0.02 0.00 0.00 177.57 179.08 2kly h GLN 160 N 0.15 0.86 -0.95 1.57 4.20 -0.67 0.88 115.11 121.16 2kly h GLN 160 Ca 0.05 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.50 2kly h GLN 160 Cb -0.00 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 2kly h GLN 160 CO -0.02 0.92 0.62 0.87 -0.67 0.00 0.00 178.83 180.55 2kly h LYS 161 N 0.78 1.18 -0.23 1.46 1.57 -0.89 0.56 116.57 121.00 2kly h LYS 161 Ca 0.13 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 2kly h LYS 161 Cb 0.61 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2kly h LYS 161 CO 0.04 0.78 -0.37 0.77 -0.57 0.00 0.00 179.45 180.10 2kly h SER 162 N 1.21 0.54 0.00 0.86 0.02 -0.14 -2.36 113.55 113.69 2kly h SER 162 Ca 0.37 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kly h SER 162 Cb -0.03 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2kly h SER 162 CO -0.10 0.87 0.00 0.18 -1.14 0.00 0.00 176.83 176.63 2kly n LEU 163 N -4.04 0.00 -0.04 5.07 4.77 0.25 -4.76 117.00 118.24 2kly n LEU 163 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2kly n LEU 163 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2kly n LEU 163 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2kly n GLY 164 N 0.89 1.30 0.48 -0.72 0.00 0.41 -5.03 105.19 102.52 2kly n GLY 164 Ca 0.22 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36