#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 1.29 -0.17 3.04 0.00 -1.26 -4.60 120.51 118.81 2kly n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2kly n ALA 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 1.07 1.47 0.00 0.00 -1.98 0.50 103.07 104.13 2kly h GLY 3 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 47.33 46.30 2kly h GLY 3 CO 0.00 0.80 -0.53 -0.84 0.00 0.00 0.00 176.54 175.97 2kly h THR 4 N 0.87 1.32 -0.36 4.70 2.02 -1.94 0.15 112.91 119.67 2kly h THR 4 Ca 0.13 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 2kly h THR 4 Cb 0.69 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 2kly h THR 4 CO 0.05 0.55 0.20 0.00 0.37 0.00 0.00 175.52 176.69 2kly h ALA 5 N 0.99 0.46 -0.34 6.16 0.00 -1.61 -1.09 119.26 123.83 2kly h ALA 5 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kly h ALA 5 Cb 1.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2kly h ALA 5 CO 0.10 -0.02 0.09 -0.07 0.00 0.00 0.00 179.25 179.35 2kly h LEU 6 N 0.46 0.07 -0.88 0.00 3.38 0.18 -2.42 115.31 116.11 2kly h LEU 6 Ca 0.13 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2kly h LEU 6 Cb 0.04 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 2kly h LEU 6 CO -0.02 0.08 0.53 0.11 0.09 0.00 0.00 178.44 179.23 2kly h LYS 7 N 0.22 0.90 -0.65 1.13 1.57 -0.21 0.27 116.57 119.81 2kly h LYS 7 Ca 0.16 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2kly h LYS 7 Cb 0.16 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2kly h LYS 7 CO -0.18 0.60 0.12 -0.09 -0.57 0.00 0.00 179.45 179.32 2kly h ARG 8 N 0.93 1.07 0.00 3.15 9.65 -0.99 -2.07 114.38 126.12 2kly h ARG 8 Ca 0.40 -0.28 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 2kly h ARG 8 Cb 0.27 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2kly h ARG 8 CO -0.21 0.98 -0.14 -0.07 2.80 0.00 0.00 179.97 183.32 2kly h LEU 9 N 0.98 0.00 -0.52 3.80 3.38 -0.67 -0.33 115.31 121.95 2kly h LEU 9 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 2kly h LEU 9 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2kly h LEU 9 CO 0.01 0.14 -0.44 0.24 0.09 0.00 0.00 178.44 178.48 2kly h MET 10 N 0.00 0.71 -0.41 1.13 2.86 0.07 0.26 114.93 119.54 2kly h MET 10 Ca -0.00 -0.39 -0.07 0.00 -2.06 0.00 0.00 59.70 57.18 2kly h MET 10 Cb 0.59 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2kly h MET 10 CO 0.02 1.01 -0.03 0.00 1.06 0.00 0.00 176.91 178.96 2kly h ALA 11 N 0.93 0.56 -0.29 6.32 0.00 -0.66 -0.29 119.26 125.83 2kly h ALA 11 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2kly h ALA 11 Cb 0.99 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2kly h ALA 11 CO 0.09 0.37 0.14 0.93 0.00 0.00 0.00 179.25 180.79 2kly h GLU 12 N 0.57 0.29 -0.10 0.00 4.39 -0.94 -2.30 114.58 116.49 2kly h GLU 12 Ca 0.11 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.82 2kly h GLU 12 Cb 0.53 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 2kly h GLU 12 CO 0.03 0.19 -0.52 -0.92 -1.16 0.00 0.00 179.01 176.63 2kly h TYR 13 N 0.30 -1.54 -0.97 4.33 3.20 -0.36 -2.14 116.97 119.80 2kly h TYR 13 Ca 0.12 0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.17 2kly h TYR 13 Cb 0.03 0.68 -0.14 0.00 1.54 0.00 0.00 36.73 38.85 2kly h TYR 13 CO -0.10 -0.53 -0.44 1.17 -1.64 0.00 0.00 178.16 176.63 2kly n LYS 14 N -5.29 -0.29 0.02 1.82 3.00 -0.13 -1.29 118.16 116.00 2kly n LYS 14 Ca -0.06 1.48 0.00 0.00 -0.00 0.00 0.00 58.31 59.73 2kly n LYS 14 Cb 0.36 -2.19 0.31 0.00 0.00 0.00 0.00 35.03 33.52 2kly n LYS 14 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2kly h GLN 15 N 0.00 0.48 0.00 1.64 1.08 -0.83 0.16 115.11 117.64 2kly h GLN 15 Ca 0.28 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2kly h GLN 15 Cb 0.52 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2kly h GLN 15 CO -0.94 0.52 0.00 -0.07 -0.95 0.00 0.00 178.83 177.39 2kly h LEU 16 N 0.46 0.00 0.11 1.46 3.38 -0.57 0.69 115.31 120.84 2kly h LEU 16 Ca 0.10 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 2kly h LEU 16 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kly h LEU 16 CO 0.01 0.00 -1.45 0.74 0.09 0.00 0.00 178.44 177.84 2kly h THR 17 N 0.00 1.00 -0.15 0.22 2.02 0.14 -3.38 112.91 112.76 2kly h THR 17 Ca 0.00 -2.39 -0.06 0.00 0.77 0.00 0.00 66.41 64.74 2kly h THR 17 Cb 0.53 2.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2kly h THR 17 CO 0.00 0.70 -0.13 -0.07 0.37 0.00 0.00 175.52 176.39 2kly h LEU 18 N -0.31 0.37 -7.32 2.58 4.07 -0.78 -3.44 115.31 110.49 2kly h LEU 18 Ca -0.31 -0.47 -0.58 0.00 0.08 0.00 0.00 57.88 56.60 2kly h LEU 18 Cb 1.76 -0.10 -0.40 0.00 1.08 0.00 0.00 40.66 43.00 2kly h LEU 18 CO 0.05 0.76 -0.76 0.20 -1.08 0.00 0.00 178.44 177.61 2kly s ASN 19 N -6.10 3.75 -0.65 -0.43 -0.87 0.24 -5.07 114.94 105.81 2kly s ASN 19 Ca -0.14 -1.36 -0.19 0.00 -1.57 0.00 0.00 52.86 49.60 2kly s ASN 19 Cb 0.05 -0.91 0.11 0.00 -0.02 0.00 0.00 41.25 40.48 2kly s ASN 19 CO 0.75 -0.35 0.78 -2.16 -2.57 0.00 0.00 177.10 173.55 2kly s PRO 20 N 1.59 3.14 0.00 -0.60 0.04 -1.26 -4.22 135.00 133.69 2kly s PRO 20 Ca 0.04 -1.38 0.00 0.00 0.04 0.00 0.00 61.00 59.69 2kly s PRO 20 Cb -0.18 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2kly s PRO 20 CO -0.16 -1.58 0.28 -2.30 0.04 0.00 0.00 177.00 173.28 2kly n PRO 21 N 6.35 0.00 -3.19 0.56 -0.01 -1.26 -4.79 135.00 132.66 2kly n PRO 21 Ca -0.04 0.28 0.05 0.00 -0.01 0.00 0.00 63.50 63.77 2kly n PRO 21 Cb 0.44 -0.65 -0.02 0.00 -0.01 0.00 0.00 33.50 33.26 2kly n PRO 21 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 175.50 173.66 2kly s GLU 22 N -0.74 0.19 -1.39 -0.52 -1.05 -1.26 -4.96 118.70 108.98 2kly s GLU 22 Ca 0.00 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 2kly s GLU 22 Cb 0.00 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2kly s GLU 22 CO 0.00 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.45 2kly n GLY 23 N 5.32 0.38 3.10 -3.83 0.00 -1.26 -4.85 105.19 104.05 2kly n GLY 23 Ca -0.07 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.68 1.71 -0.24 -0.61 1.09 -1.25 0.04 121.20 119.25 2kly s ILE 24 Ca 0.00 -0.77 0.01 0.00 -1.10 0.00 0.00 60.65 58.79 2kly s ILE 24 Cb 0.00 -1.54 0.06 0.00 -1.06 0.00 0.00 42.46 39.93 2kly s ILE 24 CO 0.00 0.48 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.59 2kly s VAL 25 N 0.92 1.48 -0.04 2.92 1.01 -0.75 -4.73 120.40 121.21 2kly s VAL 25 Ca -0.07 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 2kly s VAL 25 Cb -0.15 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2kly s VAL 25 CO -0.02 -0.15 0.09 0.00 0.00 0.00 0.00 175.10 175.02 2kly s ALA 26 N 1.41 -0.18 -0.03 5.51 0.00 -1.26 0.47 121.76 127.68 2kly s ALA 26 Ca -0.04 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2kly s ALA 26 Cb -0.19 -0.24 0.11 0.00 0.00 0.00 0.00 23.12 22.81 2kly s ALA 26 CO -0.07 -0.08 1.14 0.20 0.00 0.00 0.00 175.76 176.95 2kly s GLY 27 N 0.50 -0.35 0.53 0.00 0.00 -0.38 -4.98 107.32 102.64 2kly s GLY 27 Ca -0.04 0.87 -0.21 0.00 0.00 0.00 0.00 44.72 45.35 2kly s GLY 27 CO -0.02 0.24 1.20 2.56 0.00 0.00 0.00 173.10 177.08 2kly s PRO 28 N -2.71 3.31 0.00 2.90 0.04 -1.26 -0.37 135.00 136.92 2kly s PRO 28 Ca 0.11 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2kly s PRO 28 Cb 0.01 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2kly s PRO 28 CO -0.04 -0.93 0.00 -0.12 0.04 0.00 0.00 177.00 175.95 2kly n MET 29 N -1.11 0.00 -1.96 4.56 1.56 -1.08 -4.74 117.12 114.35 2kly n MET 29 Ca 0.11 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.12 2kly n MET 29 Cb 0.49 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.83 2kly n MET 29 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2kly s ASN 30 N -1.49 6.63 0.00 6.12 4.22 -1.26 -4.85 114.94 124.30 2kly s ASN 30 Ca 0.00 2.46 0.04 0.00 -2.14 0.00 0.00 52.86 53.21 2kly s ASN 30 Cb 0.00 -2.57 0.18 0.00 1.28 0.00 0.00 41.25 40.14 2kly s ASN 30 CO 0.00 -0.86 1.03 -0.62 -2.04 0.00 0.00 177.10 174.61 2kly n GLU 31 N 5.42 0.03 -0.04 3.55 -0.58 -1.26 -1.60 120.64 126.15 2kly n GLU 31 Ca 0.15 0.34 -0.13 0.00 -0.42 0.00 0.00 57.16 57.11 2kly n GLU 31 Cb 0.41 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.67 2kly n GLU 31 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2kly h GLU 32 N 0.00 -0.02 -3.79 3.49 3.07 -1.99 -3.40 114.58 111.94 2kly h GLU 32 Ca 0.00 0.00 -0.79 0.00 -0.50 0.00 0.00 59.36 58.07 2kly h GLU 32 Cb 0.05 0.01 -0.26 0.00 -0.84 0.00 0.00 28.75 27.70 2kly h GLU 32 CO 0.00 0.72 0.38 1.21 -1.40 0.00 0.00 179.01 179.92 2kly s ASN 33 N -5.96 7.07 0.00 1.42 2.47 -0.63 -4.84 114.94 114.47 2kly s ASN 33 Ca -0.16 -3.16 0.17 0.00 0.42 0.00 0.00 52.86 50.13 2kly s ASN 33 Cb -0.01 -2.23 1.01 0.00 -1.45 0.00 0.00 41.25 38.57 2kly s ASN 33 CO 0.62 -0.45 1.47 0.49 -3.72 0.00 0.00 177.10 175.51 2kly n PHE 34 N 3.49 0.00 1.43 0.43 3.01 -1.26 -3.17 117.46 121.40 2kly n PHE 34 Ca 0.21 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.77 2kly n PHE 34 Cb 0.43 0.00 0.41 0.00 -0.01 0.00 0.00 39.48 40.31 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 -0.87 0.16 -3.74 1.38 3.72 -1.26 -4.68 117.46 112.17 2kly n PHE 35 Ca 0.13 -0.08 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 2kly n PHE 35 Cb 0.06 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.84 -0.02 0.22 -1.08 -1.05 -1.19 -0.55 118.70 113.18 2kly s GLU 36 Ca 0.31 0.28 0.10 0.00 -0.15 0.00 0.00 54.97 55.50 2kly s GLU 36 Cb 0.16 -0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.51 2kly s GLU 36 CO 0.24 -0.21 -0.18 -1.58 0.95 0.00 0.00 175.26 174.48 2kly s TRP 37 N 1.40 2.00 0.02 4.83 0.52 -0.83 -2.64 118.94 124.24 2kly s TRP 37 Ca -0.05 -0.44 0.08 0.00 0.02 0.00 0.00 56.10 55.71 2kly s TRP 37 Cb -0.13 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 2kly s TRP 37 CO -0.04 0.49 -0.23 -2.00 0.02 0.00 0.00 176.95 175.19 2kly s GLU 38 N -3.26 1.68 0.01 4.98 2.12 0.50 -0.57 118.70 124.16 2kly s GLU 38 Ca 0.23 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.63 2kly s GLU 38 Cb -0.04 -1.76 -0.01 0.00 0.26 0.00 0.00 34.13 32.58 2kly s GLU 38 CO 0.10 0.46 -0.08 0.00 -0.54 0.00 0.00 175.26 175.20 2kly s ALA 39 N -0.71 0.63 -0.24 6.30 0.00 0.47 -1.25 121.76 126.95 2kly s ALA 39 Ca 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2kly s ALA 39 Cb -0.09 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2kly s ALA 39 CO 0.01 0.12 -0.04 -0.51 0.00 0.00 0.00 175.76 175.33 2kly s LEU 40 N -0.53 3.09 -0.95 0.00 1.02 0.18 -0.60 118.68 120.89 2kly s LEU 40 Ca 0.00 -0.63 -0.02 0.00 0.02 0.00 0.00 54.13 53.50 2kly s LEU 40 Cb -0.05 -1.72 0.27 0.00 0.02 0.00 0.00 46.19 44.72 2kly s LEU 40 CO 0.00 -0.08 1.13 -0.38 0.02 0.00 0.00 176.35 177.03 2kly n ILE 41 N 4.75 4.09 -0.78 -0.59 2.08 0.23 -1.81 119.36 127.34 2kly n ILE 41 Ca -0.17 -5.54 -0.16 0.00 0.56 0.00 0.00 62.75 57.44 2kly n ILE 41 Cb 0.49 -2.21 -0.07 0.00 -0.75 0.00 0.00 39.64 37.09 2kly n ILE 41 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 2kly n MET 42 N 1.59 1.88 -1.24 0.38 2.81 0.11 -4.04 117.12 118.61 2kly n MET 42 Ca 0.26 -1.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.04 2kly n MET 42 Cb 0.36 -2.15 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 2kly n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kly n GLY 43 N 3.12 -4.38 3.56 3.03 0.00 0.15 -3.48 105.19 107.18 2kly n GLY 43 Ca 0.40 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 2kly n GLY 43 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kly s PRO 44 N -3.47 1.96 0.00 1.61 0.02 -1.26 -4.36 135.00 129.50 2kly s PRO 44 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 61.00 61.77 2kly s PRO 44 Cb 0.00 -4.71 0.00 0.00 0.02 0.00 0.00 34.50 29.81 2kly s PRO 44 CO 0.00 -3.79 0.00 -1.91 -0.33 0.00 0.00 177.00 170.97 2kly n GLU 45 N 8.92 0.00 -2.73 5.54 2.13 -1.26 -0.15 120.64 133.10 2kly n GLU 45 Ca 0.40 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.21 2kly n GLU 45 Cb 0.49 -0.78 0.10 0.00 0.27 0.00 0.00 31.44 31.52 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 -0.40 -0.96 4.31 2.03 -1.26 -5.06 116.55 115.21 2kly n ASP 46 Ca 0.00 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.13 2kly n ASP 46 Cb 0.00 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.16 0.00 0.06 5.18 -2.24 0.79 -5.04 114.28 111.88 2kly n THR 47 Ca -0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 2kly n THR 47 Cb 0.85 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.95 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 -3.38 0.01 -1.74 0.00 3.72 -1.26 -3.75 117.46 111.06 2kly n PHE 49 Ca -0.06 -0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.95 2kly n PHE 49 Cb 0.98 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.56 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 -0.79 1.74 0.00 -1.08 2.13 -1.19 -2.64 120.64 118.81 2kly n GLU 50 Ca 0.16 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2kly n GLU 50 Cb 0.08 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.23 2kly n GLU 50 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2kly n PHE 51 N -0.94 0.00 -2.57 4.31 3.72 -1.23 -4.83 117.46 115.93 2kly n PHE 51 Ca 0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.09 2kly n PHE 51 Cb 0.44 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.69 2.89 0.02 1.37 0.00 -1.08 -4.71 107.32 104.12 2kly s GLY 52 Ca 0.00 0.76 -0.17 0.00 0.00 0.00 0.00 44.72 45.31 2kly s GLY 52 CO 0.00 1.59 1.07 -2.08 0.00 0.00 0.00 173.10 173.68 2kly h VAL 53 N 3.75 0.00 -3.06 1.40 2.07 -1.79 0.42 116.25 119.04 2kly h VAL 53 Ca -0.44 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2kly h VAL 53 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2kly h VAL 53 CO 0.72 0.00 -0.00 0.49 0.02 0.00 0.00 177.57 178.80 2kly n PHE 54 N -3.95 -0.08 -2.96 1.57 3.72 -1.26 0.74 117.46 115.25 2kly n PHE 54 Ca -0.08 0.03 -0.37 0.00 -0.05 0.00 0.00 57.45 56.98 2kly n PHE 54 Cb 0.24 -1.76 -0.06 0.00 -0.94 0.00 0.00 39.48 36.96 2kly n PHE 54 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2kly s PRO 55 N -3.01 4.42 0.04 -1.08 0.04 -1.25 -0.47 135.00 133.70 2kly s PRO 55 Ca 0.00 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.07 2kly s PRO 55 Cb -0.00 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2kly s PRO 55 CO 0.02 0.38 0.10 0.00 0.04 0.00 0.00 177.00 177.53 2kly s ALA 56 N -1.51 -0.04 -0.12 8.56 0.00 0.24 -1.55 121.76 127.35 2kly s ALA 56 Ca 0.45 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2kly s ALA 56 Cb -0.18 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2kly s ALA 56 CO 0.23 -0.34 -0.19 0.42 0.00 0.00 0.00 175.76 175.88 2kly s ILE 57 N -2.83 2.52 -0.24 0.00 1.01 0.58 -0.39 121.20 121.85 2kly s ILE 57 Ca -0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 2kly s ILE 57 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2kly s ILE 57 CO -0.06 0.54 0.08 -0.76 0.00 0.00 0.00 174.94 174.74 2kly s LEU 58 N 0.38 3.56 -0.52 2.97 1.02 0.27 -2.12 118.68 124.24 2kly s LEU 58 Ca -0.15 -0.14 -0.18 0.00 0.02 0.00 0.00 54.13 53.69 2kly s LEU 58 Cb -0.17 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.17 2kly s LEU 58 CO 0.07 0.00 0.56 -0.44 0.02 0.00 0.00 176.35 176.56 2kly s SER 59 N 1.39 6.19 -0.01 2.29 0.01 0.11 -1.97 113.70 121.71 2kly s SER 59 Ca 0.05 -1.21 -0.20 0.00 1.31 0.00 0.00 55.95 55.90 2kly s SER 59 Cb -0.15 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 2kly s SER 59 CO 0.04 -0.86 0.57 -0.36 0.41 0.00 0.00 173.24 173.04 2kly s PHE 60 N 2.25 3.68 0.51 2.43 0.08 0.29 -1.49 117.98 125.74 2kly s PHE 60 Ca 0.10 1.16 -0.18 0.00 0.12 0.00 0.00 56.93 58.13 2kly s PHE 60 Cb -0.23 -2.57 -0.08 0.00 -0.57 0.00 0.00 43.02 39.58 2kly s PHE 60 CO 0.08 0.38 1.01 -1.25 -0.10 0.00 0.00 175.22 175.34 2kly s PRO 61 N -0.28 3.82 0.23 0.24 0.04 -1.26 -4.82 135.00 132.97 2kly s PRO 61 Ca 0.30 1.15 0.18 0.00 0.04 0.00 0.00 61.00 62.67 2kly s PRO 61 Cb -0.18 -2.11 0.89 0.00 0.04 0.00 0.00 34.50 33.14 2kly s PRO 61 CO 0.16 -0.39 1.55 1.28 0.04 0.00 0.00 177.00 179.64 2kly n LEU 62 N -1.34 0.45 -1.56 -3.56 4.77 -1.26 -1.20 117.00 113.30 2kly n LEU 62 Ca 0.08 0.68 -0.09 0.00 -0.03 0.00 0.00 56.01 56.64 2kly n LEU 62 Cb 0.53 -0.69 0.21 0.00 -2.33 0.00 0.00 43.42 41.14 2kly n LEU 62 CO 0.43 -0.74 0.91 0.47 -1.33 0.00 0.00 177.39 177.14 2kly n ASP 63 N -2.07 3.27 -4.77 -1.43 8.00 -1.26 -3.46 116.55 114.83 2kly n ASP 63 Ca -0.00 -3.59 -0.39 0.00 0.71 0.00 0.00 54.79 51.52 2kly n ASP 63 Cb 0.08 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.47 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 -3.19 2.97 -0.37 1.24 5.04 -0.34 0.36 117.35 123.06 2kly s TYR 64 Ca 0.49 1.49 0.05 0.00 -2.44 0.00 0.00 57.07 56.67 2kly s TYR 64 Cb 0.43 -3.52 0.57 0.00 0.35 0.00 0.00 41.96 39.79 2kly s TYR 64 CO 0.06 -1.64 1.70 -0.35 -1.34 0.00 0.00 175.55 173.97 2kly n PRO 65 N 0.15 2.52 0.09 4.97 -0.04 -1.26 -4.02 135.00 137.41 2kly n PRO 65 Ca 0.04 -2.48 -0.16 0.00 -0.04 0.00 0.00 63.50 60.86 2kly n PRO 65 Cb 0.45 -2.00 -0.14 0.00 -0.04 0.00 0.00 33.50 31.77 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 1.52 0.43 -9.62 1.53 3.38 -0.50 -3.41 115.31 108.65 2kly h LEU 66 Ca 0.40 -0.49 -0.65 0.00 0.09 0.00 0.00 57.88 57.23 2kly h LEU 66 Cb 2.34 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 42.86 2kly h LEU 66 CO 0.79 1.39 -0.56 -0.44 0.09 0.00 0.00 178.44 179.71 2kly s SER 67 N -7.11 5.82 0.32 -0.43 0.01 -0.25 -4.97 113.70 107.08 2kly s SER 67 Ca -0.05 0.19 -0.28 0.00 1.31 0.00 0.00 55.95 57.11 2kly s SER 67 Cb 0.07 -1.71 -0.09 0.00 0.21 0.00 0.00 66.02 64.50 2kly s SER 67 CO 0.88 0.27 1.13 -2.16 0.41 0.00 0.00 173.24 173.76 2kly s PRO 68 N -1.80 4.47 0.47 12.44 0.04 -1.26 -4.52 135.00 144.84 2kly s PRO 68 Ca 0.24 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 2kly s PRO 68 Cb -0.12 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 2kly s PRO 68 CO 0.15 0.05 0.95 -1.25 0.04 0.00 0.00 177.00 176.95 2kly s PRO 69 N -1.73 4.05 -0.26 0.56 0.04 -1.26 -4.70 135.00 131.70 2kly s PRO 69 Ca 0.48 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 2kly s PRO 69 Cb -0.31 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2kly s PRO 69 CO 0.40 -0.15 0.14 0.21 0.04 0.00 0.00 177.00 177.64 2kly s LYS 70 N -3.68 3.88 -0.03 4.56 2.20 -0.55 -4.86 119.74 121.25 2kly s LYS 70 Ca 0.59 -0.36 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 2kly s LYS 70 Cb -0.10 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2kly s LYS 70 CO 0.24 -0.11 -0.18 1.41 -0.36 0.00 0.00 175.35 176.35 2kly s MET 71 N 1.48 1.65 -0.01 4.03 -2.45 -1.26 0.04 119.30 122.79 2kly s MET 71 Ca 0.06 -0.63 -0.06 0.00 -1.25 0.00 0.00 55.69 53.81 2kly s MET 71 Cb -0.15 -1.50 0.00 0.00 1.25 0.00 0.00 34.83 34.43 2kly s MET 71 CO 0.07 0.31 0.12 -0.98 1.05 0.00 0.00 175.02 175.59 2kly s ARG 72 N -0.17 0.40 0.08 4.11 1.70 -0.90 -0.16 118.95 124.00 2kly s ARG 72 Ca 0.01 -0.28 -0.21 0.00 -0.47 0.00 0.00 55.73 54.78 2kly s ARG 72 Cb -0.10 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.38 2kly s ARG 72 CO 0.01 -0.09 0.62 -0.06 -1.08 0.00 0.00 175.30 174.70 2kly s PHE 73 N -1.06 3.81 -1.54 5.89 0.40 -0.41 -0.31 117.98 124.76 2kly s PHE 73 Ca -0.12 1.34 0.17 0.00 -0.60 0.00 0.00 56.93 57.72 2kly s PHE 73 Cb -0.06 -2.57 0.42 0.00 0.51 0.00 0.00 43.02 41.32 2kly s PHE 73 CO 0.01 0.53 1.34 0.25 0.70 0.00 0.00 175.22 178.06 2kly n THR 74 N 1.87 0.86 -3.01 0.64 -2.24 -0.59 -4.62 114.28 107.18 2kly n THR 74 Ca -0.09 -0.93 -0.13 0.00 -2.27 0.00 0.00 64.05 60.64 2kly n THR 74 Cb 0.50 0.62 0.05 0.00 -2.10 0.00 0.00 70.33 69.40 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 -3.76 3.72 0.28 0.00 2.12 -1.26 -5.04 118.70 114.76 2kly s GLU 76 Ca 0.41 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.46 2kly s GLU 76 Cb -0.03 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.59 2kly s GLU 76 CO 0.26 -0.47 0.38 1.41 -0.54 0.00 0.00 175.26 176.31 2kly s MET 77 N 2.10 1.63 -0.30 4.30 1.75 -1.26 -4.73 119.30 122.79 2kly s MET 77 Ca 0.14 -1.59 0.02 0.00 -1.25 0.00 0.00 55.69 53.01 2kly s MET 77 Cb -0.16 0.40 0.16 0.00 2.84 0.00 0.00 34.83 38.07 2kly s MET 77 CO 0.11 -0.64 0.39 0.12 -0.65 0.00 0.00 175.02 174.35 2kly s PHE 78 N -3.63 -0.89 -0.16 4.11 5.36 -1.26 -5.14 117.98 116.38 2kly s PHE 78 Ca 0.31 0.16 -0.11 0.00 -0.96 0.00 0.00 56.93 56.32 2kly s PHE 78 Cb 0.01 -0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.53 2kly s PHE 78 CO 0.15 -0.98 0.40 -1.58 -1.46 0.00 0.00 175.22 171.75 2kly s HIS 79 N 2.43 -0.50 0.50 10.12 2.46 -1.26 -4.88 115.29 124.15 2kly s HIS 79 Ca 0.10 1.15 0.15 0.00 0.47 0.00 0.00 55.06 56.93 2kly s HIS 79 Cb -0.13 0.20 1.19 0.00 -0.13 0.00 0.00 32.58 33.71 2kly s HIS 79 CO -0.29 -0.27 2.12 -1.00 -2.47 0.00 0.00 174.74 172.83 2kly h PRO 80 N 6.31 0.11 0.00 2.88 0.13 -1.82 0.11 132.00 139.72 2kly h PRO 80 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kly h PRO 80 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kly h PRO 80 CO 0.28 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.21 2kly n ASN 81 N -4.52 0.00 -4.60 1.44 4.13 -1.26 -1.81 115.26 108.64 2kly n ASN 81 Ca -0.01 -0.26 -0.36 0.00 1.68 0.00 0.00 54.58 55.63 2kly n ASN 81 Cb 0.12 -0.23 -0.10 0.00 -1.54 0.00 0.00 39.78 38.03 2kly n ASN 81 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kly s ILE 82 N -2.46 4.96 1.09 2.41 1.01 0.37 0.46 121.20 129.04 2kly s ILE 82 Ca 0.30 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 2kly s ILE 82 Cb 0.19 -3.29 0.24 0.00 0.01 0.00 0.00 42.46 39.61 2kly s ILE 82 CO 0.41 0.37 1.06 -0.31 0.00 0.00 0.00 174.94 176.48 2kly s TYR 83 N 0.99 1.72 0.43 3.97 2.02 0.69 -4.06 117.35 123.12 2kly s TYR 83 Ca 0.06 1.07 0.17 0.00 -0.37 0.00 0.00 57.07 58.00 2kly s TYR 83 Cb -0.14 -3.18 1.07 0.00 -0.40 0.00 0.00 41.96 39.31 2kly s TYR 83 CO 0.03 -3.40 1.99 -1.35 -1.57 0.00 0.00 175.55 171.25 2kly h PRO 84 N -2.27 0.00 0.00 -1.71 0.11 -1.91 0.29 132.00 126.51 2kly h PRO 84 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2kly h PRO 84 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2kly h PRO 84 CO 0.54 0.19 0.00 -3.47 -0.21 0.00 0.00 178.00 175.05 2kly n ASP 85 N -4.15 0.00 0.00 -2.05 2.03 -1.26 -4.86 116.55 106.26 2kly n ASP 85 Ca -0.02 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2kly n ASP 85 Cb 0.26 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 2kly n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kly n GLY 86 N 0.77 1.29 3.69 0.27 0.00 0.09 -4.71 105.19 106.60 2kly n GLY 86 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.27 -2.86 1.61 0.63 -1.26 -1.29 116.66 113.75 2kly n ARG 87 Ca 0.00 0.81 -0.42 0.00 -0.92 0.00 0.00 57.85 57.32 2kly n ARG 87 Cb 0.00 -2.51 -0.04 0.00 0.45 0.00 0.00 32.46 30.36 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 0.05 4.85 -0.59 5.15 1.01 0.77 -0.22 120.40 131.42 2kly s VAL 88 Ca 0.68 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 64.25 2kly s VAL 88 Cb -0.60 -4.15 0.15 0.00 0.00 0.00 0.00 36.38 31.78 2kly s VAL 88 CO 0.48 -0.01 0.45 0.00 0.00 0.00 0.00 175.10 176.01 2kly s ILE 90 N 0.57 0.09 0.29 0.00 -4.36 -1.26 -4.46 121.20 112.07 2kly s ILE 90 Ca 0.13 -0.72 0.03 0.00 -0.26 0.00 0.00 60.65 59.83 2kly s ILE 90 Cb -0.21 -0.26 0.30 0.00 1.25 0.00 0.00 42.46 43.55 2kly s ILE 90 CO -0.04 -0.40 1.66 0.28 0.24 0.00 0.00 174.94 176.69 2kly h SER 91 N 4.83 0.12 1.66 4.36 0.02 -1.83 -1.12 113.55 121.58 2kly h SER 91 Ca -0.30 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 2kly h SER 91 Cb 1.21 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 2kly h SER 91 CO 0.42 -0.12 -0.34 -0.29 -1.14 0.00 0.00 176.83 175.36 2kly h ILE 92 N 0.26 0.59 -0.01 3.27 2.10 -1.87 -1.44 117.51 120.41 2kly h ILE 92 Ca 0.57 -1.83 0.00 0.00 1.08 0.00 0.00 64.86 64.67 2kly h ILE 92 Cb 1.14 2.29 0.00 0.00 -1.09 0.00 0.00 36.82 39.16 2kly h ILE 92 CO -0.62 0.34 0.00 0.18 -1.08 0.00 0.00 178.15 176.97 2kly n LEU 93 N -3.19 0.12 -4.56 2.19 4.77 -0.45 -3.51 117.00 112.38 2kly n LEU 93 Ca 0.03 -0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 2kly n LEU 93 Cb 0.67 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.65 2kly n LEU 93 CO 0.38 0.02 -0.37 -1.00 -1.33 0.00 0.00 177.39 175.10 2kly s HIS 94 N -1.99 2.43 0.22 -1.77 3.76 -0.54 -4.62 115.29 112.79 2kly s HIS 94 Ca 0.29 -0.51 -0.12 0.00 -0.15 0.00 0.00 55.06 54.58 2kly s HIS 94 Cb 0.14 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.39 2kly s HIS 94 CO 0.23 0.56 0.42 0.00 -0.85 0.00 0.00 174.74 175.10 2kly s ALA 95 N -2.61 -0.18 -0.16 -1.40 0.00 -1.26 0.11 121.76 116.25 2kly s ALA 95 Ca 0.33 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 2kly s ALA 95 Cb 0.03 1.03 -0.06 0.00 0.00 0.00 0.00 23.12 24.12 2kly s ALA 95 CO 0.17 -0.79 1.43 -0.35 0.00 0.00 0.00 175.76 176.21 2kly n PRO 96 N -0.34 0.72 -0.56 0.00 -0.04 -1.26 -2.32 135.00 131.20 2kly n PRO 96 Ca -0.03 -0.52 -0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2kly n PRO 96 Cb 0.62 -1.84 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2kly n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kly n GLY 97 N 3.22 0.86 3.80 0.55 0.00 -1.26 -5.13 105.19 107.24 2kly n GLY 97 Ca 0.15 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2kly n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kly s ASP 98 N -0.32 4.43 -0.21 1.61 1.01 -0.98 -5.11 116.67 117.09 2kly s ASP 98 Ca 0.01 -1.28 -0.17 0.00 0.71 0.00 0.00 52.55 51.82 2kly s ASP 98 Cb 0.01 0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.98 2kly s ASP 98 CO -0.00 -0.82 0.45 -0.62 0.21 0.00 0.00 175.17 174.39 2kly s ASP 99 N -4.03 6.47 -1.04 0.27 2.15 -1.26 -4.99 116.67 114.24 2kly s ASP 99 Ca 0.30 0.56 -0.25 0.00 0.43 0.00 0.00 52.55 53.59 2kly s ASP 99 Cb 0.01 -2.26 -0.15 0.00 -0.30 0.00 0.00 42.92 40.23 2kly s ASP 99 CO 0.17 -0.14 2.09 -2.84 -0.17 0.00 0.00 175.17 174.27 2kly s PRO 100 N 1.59 1.82 0.02 4.34 0.02 -1.26 -4.68 135.00 136.84 2kly s PRO 100 Ca 0.21 -0.49 -0.17 0.00 0.02 0.00 0.00 61.00 60.57 2kly s PRO 100 Cb -0.15 -5.04 -0.35 0.00 0.02 0.00 0.00 34.50 28.98 2kly s PRO 100 CO 0.09 -4.61 0.98 0.52 -0.33 0.00 0.00 177.00 173.66 2kly h MET 101 N 11.17 0.50 0.00 5.54 2.86 -1.99 -3.43 114.93 129.58 2kly h MET 101 Ca 0.08 -0.85 0.00 0.00 -2.06 0.00 0.00 59.70 56.87 2kly h MET 101 Cb 0.98 0.31 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2kly h MET 101 CO 1.10 1.41 0.00 0.41 1.06 0.00 0.00 176.91 180.89 2kly n GLY 102 N 1.69 0.87 0.00 8.32 0.00 -1.26 -5.03 105.19 109.78 2kly n GLY 102 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2kly n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kly n TYR 103 N 0.00 -2.93 -3.32 1.61 4.01 -1.26 -4.65 117.16 110.62 2kly n TYR 103 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 2kly n TYR 103 Cb 0.29 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.39 2kly n TYR 103 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2kly n GLU 104 N -0.77 -2.05 -2.69 -0.72 4.71 -1.26 -4.96 120.64 112.91 2kly n GLU 104 Ca 0.00 0.81 -0.07 0.00 -0.01 0.00 0.00 57.16 57.89 2kly n GLU 104 Cb 0.00 -5.53 0.10 0.00 -1.01 0.00 0.00 31.44 24.99 2kly n GLU 104 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kly n SER 105 N -3.10 -0.99 -2.35 1.62 2.88 -1.26 -4.98 113.62 105.44 2kly n SER 105 Ca -0.07 -2.51 -0.04 0.00 -1.33 0.00 0.00 58.87 54.92 2kly n SER 105 Cb 0.61 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 2kly n SER 105 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kly n SER 106 N -0.50 -5.57 -3.65 -3.46 7.64 -1.26 -5.09 113.62 101.73 2kly n SER 106 Ca -0.00 0.23 -0.03 0.00 1.01 0.00 0.00 58.87 60.07 2kly n SER 106 Cb 0.84 -3.64 -0.05 0.00 -1.01 0.00 0.00 64.21 60.35 2kly n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kly s ALA 107 N -2.25 -1.91 0.49 -0.43 0.00 -1.26 -5.15 121.76 111.25 2kly s ALA 107 Ca 0.11 2.24 -0.20 0.00 0.00 0.00 0.00 51.96 54.11 2kly s ALA 107 Cb -0.03 -1.67 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 2kly s ALA 107 CO 0.46 -0.84 1.04 -1.21 0.00 0.00 0.00 175.76 175.21 2kly s GLU 108 N 2.70 3.78 0.52 0.00 0.41 -1.26 -4.79 118.70 120.05 2kly s GLU 108 Ca -0.06 1.36 0.02 0.00 -0.41 0.00 0.00 54.97 55.89 2kly s GLU 108 Cb -0.11 -2.09 -0.00 0.00 -1.78 0.00 0.00 34.13 30.15 2kly s GLU 108 CO -0.18 -0.45 0.10 1.03 -0.49 0.00 0.00 175.26 175.27 2kly s ARG 109 N -3.25 2.21 -0.11 1.61 1.81 -1.26 -3.66 118.95 116.30 2kly s ARG 109 Ca 0.67 -2.30 -0.31 0.00 -1.72 0.00 0.00 55.73 52.07 2kly s ARG 109 Cb -0.16 -1.68 -0.09 0.00 -0.45 0.00 0.00 34.95 32.57 2kly s ARG 109 CO 0.20 -0.41 2.04 1.87 -0.68 0.00 0.00 175.30 178.32 2kly n TRP 110 N -1.38 2.21 -4.18 -0.53 -0.00 0.30 -4.81 117.44 109.05 2kly n TRP 110 Ca -0.15 -0.12 -0.13 0.00 -0.00 0.00 0.00 57.50 57.10 2kly n TRP 110 Cb 0.66 -2.71 -0.10 0.00 -0.00 0.00 0.00 31.31 29.16 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 5.69 1.40 0.00 5.87 0.01 -1.26 -4.82 113.70 120.59 2kly s SER 111 Ca 0.96 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2kly s SER 111 Cb -0.54 0.03 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2kly s SER 111 CO 0.44 -0.33 0.94 -2.65 0.41 0.00 0.00 173.24 172.05 2kly n PRO 112 N 0.30 0.00 0.00 12.44 -0.02 -1.26 -0.72 135.00 145.74 2kly n PRO 112 Ca -0.14 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 61.92 2kly n PRO 112 Cb 0.59 -1.52 0.57 0.00 -0.02 0.00 0.00 33.50 33.12 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 -1.44 0.00 -2.82 -1.45 3.14 -1.26 -4.87 118.33 109.62 2kly n VAL 113 Ca 0.00 -0.15 -0.29 0.00 -2.96 0.00 0.00 64.34 60.94 2kly n VAL 113 Cb 0.02 0.21 -0.02 0.00 -1.06 0.00 0.00 33.84 32.99 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 -2.21 3.71 0.04 1.45 -1.52 0.10 -5.10 119.66 116.14 2kly s GLN 114 Ca 0.34 0.38 -0.14 0.00 -1.95 0.00 0.00 55.36 53.99 2kly s GLN 114 Cb 0.21 -2.40 0.02 0.00 -0.22 0.00 0.00 33.01 30.62 2kly s GLN 114 CO 0.41 -0.07 0.31 -1.12 -0.25 0.00 0.00 175.29 174.57 2kly s SER 115 N -3.40 -0.13 0.31 5.90 0.01 -1.26 -5.00 113.70 110.14 2kly s SER 115 Ca 0.50 -0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.65 2kly s SER 115 Cb -0.10 0.36 0.88 0.00 0.21 0.00 0.00 66.02 67.37 2kly s SER 115 CO 0.35 -0.62 1.68 -0.37 0.41 0.00 0.00 173.24 174.69 2kly h VAL 116 N 3.20 0.40 -0.30 3.43 -1.51 -1.99 -0.15 116.25 119.34 2kly h VAL 116 Ca -0.32 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2kly h VAL 116 Cb 1.20 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2kly h VAL 116 CO 0.46 0.07 0.12 -0.08 -1.23 0.00 0.00 177.57 176.91 2kly h GLU 117 N 0.38 0.44 -0.55 5.19 4.81 -1.97 -1.04 114.58 121.85 2kly h GLU 117 Ca 0.63 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.74 2kly h GLU 117 Cb 1.31 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2kly h GLU 117 CO -0.57 0.45 0.16 -0.22 -0.73 0.00 0.00 179.01 178.11 2kly h LYS 118 N 0.33 0.82 -0.09 1.92 3.64 -1.49 -1.12 116.57 120.59 2kly h LYS 118 Ca 0.10 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2kly h LYS 118 Cb 0.17 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2kly h LYS 118 CO -0.01 0.72 0.06 0.82 -2.27 0.00 0.00 179.45 178.77 2kly h ILE 119 N 0.80 1.02 0.00 2.00 2.04 -0.69 -1.67 117.51 121.01 2kly h ILE 119 Ca 0.18 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 2kly h ILE 119 Cb 0.25 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2kly h ILE 119 CO -0.01 0.02 -0.35 -0.07 0.00 0.00 0.00 178.15 177.75 2kly h LEU 120 N 0.12 0.00 -1.04 1.44 4.07 -0.86 -1.38 115.31 117.66 2kly h LEU 120 Ca 0.03 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.91 2kly h LEU 120 Cb -0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2kly h LEU 120 CO -0.01 0.35 -0.29 -0.07 -1.08 0.00 0.00 178.44 177.34 2kly h LEU 121 N 0.00 0.33 -0.83 1.67 -0.00 -0.86 0.12 115.31 115.74 2kly h LEU 121 Ca -0.00 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.88 57.65 2kly h LEU 121 Cb 0.79 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 2kly h LEU 121 CO 0.05 0.62 -0.41 -1.28 -0.00 0.00 0.00 178.44 177.41 2kly h SER 122 N 0.29 0.39 -0.31 -0.43 0.87 -0.36 -0.66 113.55 113.34 2kly h SER 122 Ca 0.04 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 2kly h SER 122 Cb 0.66 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2kly h SER 122 CO 0.05 0.76 0.01 0.58 -0.53 0.00 0.00 176.83 177.70 2kly h VAL 123 N 0.31 1.25 -0.72 2.23 2.07 -0.52 -0.82 116.25 120.06 2kly h VAL 123 Ca 0.03 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 2kly h VAL 123 Cb 0.85 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2kly h VAL 123 CO 0.07 0.30 0.34 0.58 0.02 0.00 0.00 177.57 178.88 2kly h VAL 124 N 0.33 1.23 -0.42 2.57 2.07 -0.62 -1.90 116.25 119.52 2kly h VAL 124 Ca 0.09 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 2kly h VAL 124 Cb 0.42 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2kly h VAL 124 CO 0.01 0.28 0.01 -1.28 0.02 0.00 0.00 177.57 176.61 2kly h SER 125 N 1.02 0.72 0.65 0.57 0.87 -0.87 -1.58 113.55 114.94 2kly h SER 125 Ca 0.25 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 2kly h SER 125 Cb 0.11 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2kly h SER 125 CO -0.03 0.85 -0.32 0.00 -0.53 0.00 0.00 176.83 176.79 2kly h MET 126 N 0.58 0.00 0.00 2.24 -0.00 -0.92 -1.30 114.93 115.52 2kly h MET 126 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.72 2kly h MET 126 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 2kly h MET 126 CO 0.02 0.32 -0.50 -0.07 -0.00 0.00 0.00 176.91 176.69 2kly h LEU 127 N 0.00 0.00 -0.59 -0.10 3.38 -1.09 -1.91 115.31 114.99 2kly h LEU 127 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2kly h LEU 127 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2kly h LEU 127 CO 0.04 0.50 -0.67 0.00 0.09 0.00 0.00 178.44 178.40 2kly h ALA 128 N 1.50 0.83 -0.91 1.53 0.00 -0.45 -3.41 119.26 118.36 2kly h ALA 128 Ca -0.00 -0.61 0.18 0.00 0.00 0.00 0.00 54.91 54.48 2kly h ALA 128 Cb 1.21 -0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.64 2kly h ALA 128 CO 0.06 0.84 0.30 -1.83 0.00 0.00 0.00 179.25 178.62 2kly s GLU 129 N -3.39 0.25 -0.45 0.00 -1.05 -0.57 -4.95 118.70 108.54 2kly s GLU 129 Ca -0.00 0.61 -0.44 0.00 -0.15 0.00 0.00 54.97 54.99 2kly s GLU 129 Cb 0.12 0.35 -0.18 0.00 -0.44 0.00 0.00 34.13 33.97 2kly s GLU 129 CO 0.77 -0.08 1.78 -2.30 0.95 0.00 0.00 175.26 176.38 2kly n PRO 130 N 4.78 0.30 0.00 -4.83 -0.02 -0.74 -4.01 135.00 130.49 2kly n PRO 130 Ca -0.09 0.10 0.13 0.00 -2.02 0.00 0.00 63.50 61.62 2kly n PRO 130 Cb 0.53 -1.68 0.61 0.00 -0.02 0.00 0.00 33.50 32.94 2kly n PRO 130 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kly n ASN 131 N 5.40 0.00 0.00 2.55 5.03 -1.26 -4.86 115.26 122.12 2kly n ASN 131 Ca 0.36 0.33 0.00 0.00 0.87 0.00 0.00 54.58 56.14 2kly n ASN 131 Cb -0.00 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 2kly n ASN 131 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kly n ASP 132 N -1.44 0.00 -4.08 6.41 2.03 -1.26 -4.89 116.55 113.32 2kly n ASP 132 Ca 0.08 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.99 2kly n ASP 132 Cb 0.29 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 2kly n ASP 132 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kly n GLU 133 N -1.98 2.51 -3.77 -0.67 1.02 -1.26 -4.78 120.64 111.70 2kly n GLU 133 Ca 0.00 -2.63 0.02 0.00 -0.02 0.00 0.00 57.16 54.53 2kly n GLU 133 Cb 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 31.44 28.08 2kly n GLU 133 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kly s SER 134 N 4.33 -0.03 -0.42 1.62 1.04 -1.26 -4.07 113.70 114.91 2kly s SER 134 Ca 0.54 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.87 2kly s SER 134 Cb 0.09 0.15 0.32 0.00 0.10 0.00 0.00 66.02 66.68 2kly s SER 134 CO 0.03 -0.29 1.21 0.61 0.98 0.00 0.00 173.24 175.79 2kly n GLY 135 N -0.66 0.32 0.30 7.32 0.00 -1.26 -4.86 105.19 106.35 2kly n GLY 135 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2kly n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kly n ALA 136 N 0.16 1.01 -3.19 4.61 0.00 -1.24 -4.90 120.51 116.95 2kly n ALA 136 Ca 0.01 -0.14 -0.46 0.00 0.00 0.00 0.00 53.44 52.85 2kly n ALA 136 Cb 0.73 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.13 2kly n ALA 136 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kly s ASN 137 N -3.77 6.18 0.28 0.00 3.84 -0.75 -4.93 114.94 115.79 2kly s ASN 137 Ca 0.00 -1.66 -0.03 0.00 0.21 0.00 0.00 52.86 51.38 2kly s ASN 137 Cb 0.00 -2.21 0.39 0.00 -0.55 0.00 0.00 41.25 38.88 2kly s ASN 137 CO 0.00 -0.81 1.95 0.58 -2.79 0.00 0.00 177.10 176.03 2kly h VAL 138 N 5.86 1.22 -0.46 -5.21 2.07 -1.90 -2.14 116.25 115.67 2kly h VAL 138 Ca -0.30 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 2kly h VAL 138 Cb 1.10 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2kly h VAL 138 CO 1.00 0.22 -0.20 -0.78 0.02 0.00 0.00 177.57 177.83 2kly h ASP 139 N 1.20 0.95 -0.12 0.57 3.58 -1.98 0.31 116.42 120.94 2kly h ASP 139 Ca 0.33 -0.35 -0.21 0.00 0.42 0.00 0.00 57.03 57.23 2kly h ASP 139 Cb -0.11 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 40.69 2kly h ASP 139 CO -0.08 1.12 -0.74 0.00 -2.88 0.00 0.00 179.24 176.66 2kly h ALA 140 N 0.95 0.25 -0.27 -0.78 0.00 -1.91 -0.74 119.26 116.76 2kly h ALA 140 Ca 0.11 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2kly h ALA 140 Cb 0.76 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kly h ALA 140 CO 0.06 0.59 -0.08 1.03 0.00 0.00 0.00 179.25 180.85 2kly h SER 141 N 0.40 0.55 -0.17 0.00 0.87 -1.16 0.67 113.55 114.70 2kly h SER 141 Ca -0.06 -0.38 0.04 0.00 -1.23 0.00 0.00 61.79 60.16 2kly h SER 141 Cb 1.38 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 2kly h SER 141 CO 0.15 0.80 -0.06 0.50 -0.53 0.00 0.00 176.83 177.69 2kly h LYS 142 N 0.29 -0.03 -0.87 2.24 3.64 -0.43 -1.59 116.57 119.82 2kly h LYS 142 Ca 0.07 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2kly h LYS 142 Cb 0.57 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 2kly h LYS 142 CO 0.03 -0.02 0.47 1.98 -2.27 0.00 0.00 179.45 179.63 2kly h MET 143 N -0.04 1.21 -0.53 1.90 4.05 -1.02 0.06 114.93 120.57 2kly h MET 143 Ca 0.09 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2kly h MET 143 Cb 0.17 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 2kly h MET 143 CO -0.20 0.90 0.30 2.35 0.23 0.00 0.00 176.91 180.49 2kly h TRP 144 N 1.21 0.72 0.08 1.39 -0.00 -0.31 0.25 115.95 119.28 2kly h TRP 144 Ca 0.30 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.89 58.91 2kly h TRP 144 Cb 0.04 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 28.96 2kly h TRP 144 CO 0.01 0.51 -1.38 0.00 -0.00 0.00 0.00 178.44 177.58 2kly h ARG 145 N 0.71 0.16 0.00 2.65 3.08 -1.18 -3.25 114.38 116.55 2kly h ARG 145 Ca 0.19 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 2kly h ARG 145 Cb 0.02 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2kly h ARG 145 CO -0.03 1.03 -0.54 0.22 -1.07 0.00 0.00 179.97 179.57 2kly h ASP 146 N 0.04 0.00 -2.27 7.04 1.82 -0.90 -3.43 116.42 118.73 2kly h ASP 146 Ca -0.17 -0.21 -0.59 0.00 -0.39 0.00 0.00 57.03 55.66 2kly h ASP 146 Cb 1.95 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 41.55 2kly h ASP 146 CO 0.15 0.90 -0.70 -0.67 -1.61 0.00 0.00 179.24 177.31 2kly n ASP 147 N -4.60 2.85 0.27 2.28 -0.08 0.85 -4.92 116.55 113.20 2kly n ASP 147 Ca -0.12 -3.24 0.11 0.00 -1.51 0.00 0.00 54.79 50.03 2kly n ASP 147 Cb 0.33 -0.67 0.75 0.00 2.34 0.00 0.00 41.12 43.87 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 4.33 0.00 -0.18 -0.67 0.11 -1.54 -0.66 114.38 115.77 2kly h ARG 148 Ca 0.17 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.20 2kly h ARG 148 Cb 0.72 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 2kly h ARG 148 CO 0.74 0.01 -0.13 0.93 0.10 0.00 0.00 179.97 181.61 2kly h GLU 149 N 0.00 0.28 -0.31 0.08 5.08 -1.89 0.13 114.58 117.95 2kly h GLU 149 Ca -0.00 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 2kly h GLU 149 Cb 0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2kly h GLU 149 CO 0.00 0.42 -0.50 1.96 -1.00 0.00 0.00 179.01 179.89 2kly h GLN 150 N 0.27 0.85 -0.27 2.33 4.20 -1.45 -2.69 115.11 118.34 2kly h GLN 150 Ca 0.05 -0.51 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 2kly h GLN 150 Cb 0.40 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2kly h GLN 150 CO 0.02 1.15 0.15 0.35 -0.67 0.00 0.00 178.83 179.83 2kly h PHE 151 N 0.67 0.37 -0.21 2.96 3.57 -1.19 -1.46 116.94 121.66 2kly h PHE 151 Ca 0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2kly h PHE 151 Cb 1.09 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 2kly h PHE 151 CO 0.07 0.31 -0.09 1.88 -2.23 0.00 0.00 178.31 178.24 2kly h TYR 152 N 0.33 -0.21 -0.42 0.41 0.05 -0.96 0.15 116.97 116.31 2kly h TYR 152 Ca 0.10 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 2kly h TYR 152 Cb 0.06 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 2kly h TYR 152 CO -0.03 -0.14 -0.14 1.57 -1.05 0.00 0.00 178.16 178.36 2kly h LYS 153 N -0.06 0.84 -0.53 4.88 2.10 -1.35 -1.81 116.57 120.63 2kly h LYS 153 Ca 0.11 -0.34 -0.06 0.00 -2.00 0.00 0.00 60.65 58.37 2kly h LYS 153 Cb 0.23 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 2kly h LYS 153 CO -0.25 0.97 0.10 0.82 -2.00 0.00 0.00 179.45 179.10 2kly h ILE 154 N 0.66 1.23 -0.50 0.07 2.04 -1.08 -1.25 117.51 118.68 2kly h ILE 154 Ca 0.10 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2kly h ILE 154 Cb 0.69 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2kly h ILE 154 CO 0.05 0.32 0.33 0.00 0.00 0.00 0.00 178.15 178.84 2kly h ALA 155 N 1.32 0.64 -0.24 1.87 0.00 -0.39 -0.81 119.26 121.65 2kly h ALA 155 Ca 0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2kly h ALA 155 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kly h ALA 155 CO 0.00 0.08 -0.28 0.87 0.00 0.00 0.00 179.25 179.93 2kly h LYS 156 N 0.68 0.46 -0.17 0.00 1.57 -0.88 -1.67 116.57 116.56 2kly h LYS 156 Ca 0.18 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2kly h LYS 156 Cb -0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2kly h LYS 156 CO -0.04 0.70 -0.53 -0.56 -0.57 0.00 0.00 179.45 178.44 2kly h GLN 157 N 0.40 0.50 -0.55 3.15 3.07 -0.90 -2.24 115.11 118.53 2kly h GLN 157 Ca 0.06 -0.31 -0.01 0.00 0.09 0.00 0.00 58.65 58.48 2kly h GLN 157 Cb 0.69 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.26 2kly h GLN 157 CO 0.05 0.91 0.28 0.82 0.09 0.00 0.00 178.83 180.98 2kly h ILE 158 N 0.38 1.18 -0.02 1.86 1.08 -0.80 -1.69 117.51 119.50 2kly h ILE 158 Ca 0.01 -0.47 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2kly h ILE 158 Cb 1.06 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 2kly h ILE 158 CO 0.10 0.20 -0.11 0.58 -0.69 0.00 0.00 178.15 178.23 2kly h VAL 159 N 0.77 0.72 -0.71 1.67 2.07 -0.73 0.14 116.25 120.17 2kly h VAL 159 Ca 0.20 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.65 2kly h VAL 159 Cb 0.05 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2kly h VAL 159 CO -0.03 0.00 0.19 1.56 0.02 0.00 0.00 177.57 179.31 2kly h GLN 160 N -0.18 1.13 -0.46 1.57 4.20 -1.15 -2.11 115.11 118.11 2kly h GLN 160 Ca 0.05 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 2kly h GLN 160 Cb 0.24 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2kly h GLN 160 CO -0.13 0.99 -0.00 0.87 -0.67 0.00 0.00 178.83 179.89 2kly h LYS 161 N 1.07 0.76 0.00 1.46 1.57 -0.99 0.49 116.57 120.92 2kly h LYS 161 Ca 0.22 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2kly h LYS 161 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2kly h LYS 161 CO -0.00 0.77 -0.21 0.77 -0.57 0.00 0.00 179.45 180.21 2kly h SER 162 N 0.71 0.00 1.11 0.86 0.02 -0.29 -1.38 113.55 114.58 2kly h SER 162 Ca 0.14 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 2kly h SER 162 Cb 0.44 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2kly h SER 162 CO 0.02 0.21 -0.91 -0.07 -1.14 0.00 0.00 176.83 174.93 2kly h LEU 163 N 0.00 0.00 0.00 5.07 3.38 -0.58 -3.41 115.31 119.77 2kly h LEU 163 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kly h LEU 163 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kly h LEU 163 CO 0.03 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.97 2kly n GLY 164 N 1.33 1.56 0.92 0.83 0.00 0.67 -5.10 105.19 105.40 2kly n GLY 164 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36