#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kin s ASP 3 N 0.00 -0.73 0.45 0.00 1.11 -1.26 -5.11 116.67 111.13 3kin s ASP 3 Ca 0.00 1.29 -0.23 0.00 0.18 0.00 0.00 52.55 53.79 3kin s ASP 3 Cb 0.00 1.31 -0.08 0.00 1.07 0.00 0.00 42.92 45.22 3kin s ASP 3 CO 0.00 -0.22 1.15 -2.16 1.18 0.00 0.00 175.17 175.12 3kin s PRO 4 N 0.83 3.84 -0.07 8.23 0.04 -1.26 -5.03 135.00 141.58 3kin s PRO 4 Ca -0.03 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.76 3kin s PRO 4 Cb -0.05 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3kin s PRO 4 CO -0.08 -0.47 -0.12 0.00 0.04 0.00 0.00 177.00 176.37 3kin s ALA 5 N -1.56 2.77 0.95 8.56 0.00 -1.26 -5.12 121.76 126.10 3kin s ALA 5 Ca 0.62 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 3kin s ALA 5 Cb -0.28 -1.09 0.16 0.00 0.00 0.00 0.00 23.12 21.92 3kin s ALA 5 CO 0.34 0.53 1.10 -1.21 0.00 0.00 0.00 175.76 176.52 3kin s GLU 6 N -0.63 0.83 0.00 0.00 0.41 -1.26 -5.04 118.70 113.01 3kin s GLU 6 Ca 0.09 0.51 0.00 0.00 -0.41 0.00 0.00 54.97 55.16 3kin s GLU 6 Cb -0.11 -1.79 0.00 0.00 -1.78 0.00 0.00 34.13 30.45 3kin s GLU 6 CO 0.01 -2.45 0.00 0.00 -0.49 0.00 0.00 175.26 172.33 3kin s SER 8 N 0.00 5.78 0.10 0.00 1.04 -1.26 -4.99 113.70 114.37 3kin s SER 8 Ca 0.00 1.75 -0.36 0.00 0.48 0.00 0.00 55.95 57.82 3kin s SER 8 Cb 0.00 -2.52 -0.16 0.00 0.10 0.00 0.00 66.02 63.44 3kin s SER 8 CO 0.00 -1.17 1.42 -0.38 0.98 0.00 0.00 173.24 174.09 3kin n ILE 9 N -2.21 0.01 -4.01 -1.02 5.41 -1.26 -4.95 119.36 111.33 3kin n ILE 9 Ca 0.08 -0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.48 3kin n ILE 9 Cb 0.53 -1.04 -0.09 0.00 -0.71 0.00 0.00 39.64 38.33 3kin n ILE 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3kin s LYS 10 N 0.70 3.71 -0.20 0.38 -2.85 -1.26 -5.04 119.74 115.17 3kin s LYS 10 Ca 0.83 -0.29 -0.03 0.00 -1.00 0.00 0.00 55.97 55.48 3kin s LYS 10 Cb -0.87 -3.16 -0.01 0.00 -2.06 0.00 0.00 37.83 31.73 3kin s LYS 10 CO 0.45 0.47 -0.07 0.08 0.10 0.00 0.00 175.35 176.37 3kin s VAL 11 N -0.17 3.22 -0.16 1.79 1.01 -1.26 -4.98 120.40 119.85 3kin s VAL 11 Ca 0.08 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3kin s VAL 11 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3kin s VAL 11 CO 0.01 0.45 -0.00 -0.04 0.00 0.00 0.00 175.10 175.52 3kin s MET 12 N 1.31 3.72 -0.31 2.72 -1.94 -1.26 -1.24 119.30 122.29 3kin s MET 12 Ca 0.04 -0.45 -0.09 0.00 -1.71 0.00 0.00 55.69 53.48 3kin s MET 12 Cb -0.14 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.70 3kin s MET 12 CO -0.03 0.30 0.14 0.00 -0.01 0.00 0.00 175.02 175.41 3kin s ARG 14 N 1.57 3.00 0.03 0.00 3.52 -1.26 -1.31 118.95 124.50 3kin s ARG 14 Ca 0.04 -0.94 -0.19 0.00 -0.13 0.00 0.00 55.73 54.51 3kin s ARG 14 Cb -0.17 -3.52 -0.06 0.00 -1.56 0.00 0.00 34.95 29.64 3kin s ARG 14 CO 0.05 -0.54 0.54 -0.06 -0.81 0.00 0.00 175.30 174.48 3kin s PHE 15 N 1.52 3.74 -0.07 5.12 0.40 -0.62 -5.00 117.98 123.07 3kin s PHE 15 Ca 0.02 1.18 -0.05 0.00 -0.60 0.00 0.00 56.93 57.48 3kin s PHE 15 Cb -0.18 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 3kin s PHE 15 CO 0.04 0.51 0.14 0.50 0.70 0.00 0.00 175.22 177.12 3kin s ARG 16 N -0.76 3.38 0.23 0.44 3.52 -1.26 -3.12 118.95 121.39 3kin s ARG 16 Ca 0.28 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.33 3kin s ARG 16 Cb -0.18 -3.11 -0.10 0.00 -1.56 0.00 0.00 34.95 29.99 3kin s ARG 16 CO 0.17 0.73 1.53 -1.25 -0.81 0.00 0.00 175.30 175.66 3kin s PRO 17 N -1.42 4.21 0.09 5.12 0.05 -1.26 -4.88 135.00 136.92 3kin s PRO 17 Ca 0.20 2.39 -0.36 0.00 0.05 0.00 0.00 61.00 63.29 3kin s PRO 17 Cb -0.12 -3.10 -0.18 0.00 0.05 0.00 0.00 34.50 31.15 3kin s PRO 17 CO 0.10 -0.54 1.06 1.28 0.05 0.00 0.00 177.00 178.96 3kin n LEU 18 N 2.89 0.52 -4.87 -3.56 4.77 -1.26 -4.91 117.00 110.58 3kin n LEU 18 Ca 0.10 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.92 3kin n LEU 18 Cb 0.39 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 3kin n LEU 18 CO 0.62 -1.75 0.57 0.54 -1.33 0.00 0.00 177.39 176.04 3kin s ASN 19 N -0.06 6.43 0.10 -1.43 2.20 -1.26 -4.78 114.94 116.14 3kin s ASN 19 Ca 0.81 1.28 -0.19 0.00 -0.94 0.00 0.00 52.86 53.82 3kin s ASN 19 Cb -1.05 -2.40 -0.04 0.00 -2.00 0.00 0.00 41.25 35.76 3kin s ASN 19 CO 0.54 -0.60 1.17 1.21 -2.94 0.00 0.00 177.10 176.48 3kin n GLU 20 N -1.90 -0.27 -0.11 3.55 2.13 -1.26 0.11 120.64 122.88 3kin n GLU 20 Ca 0.04 1.15 -0.12 0.00 0.66 0.00 0.00 57.16 58.90 3kin n GLU 20 Cb 0.54 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.49 3kin n GLU 20 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kin h ALA 21 N 0.09 -0.57 -0.36 4.31 0.00 -2.01 0.20 119.26 120.93 3kin h ALA 21 Ca 0.10 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3kin h ALA 21 Cb 0.25 0.96 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3kin h ALA 21 CO -0.58 -0.94 -0.18 0.93 0.00 0.00 0.00 179.25 178.49 3kin h GLU 22 N -0.38 -0.11 0.00 0.00 5.08 -0.72 -2.86 114.58 115.58 3kin h GLU 22 Ca 0.11 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kin h GLU 22 Cb 0.60 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3kin h GLU 22 CO -0.56 -0.07 0.00 -0.89 -1.00 0.00 0.00 179.01 176.49 3kin n ILE 23 N -5.35 0.00 -0.37 3.13 2.08 0.31 -1.07 119.36 118.08 3kin n ILE 23 Ca 0.01 1.03 -0.00 0.00 0.56 0.00 0.00 62.75 64.35 3kin n ILE 23 Cb 0.27 -1.40 0.05 0.00 -0.75 0.00 0.00 39.64 37.80 3kin n ILE 23 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3kin n LEU 24 N -2.34 -0.60 -0.02 1.39 4.32 -0.44 0.17 117.00 119.47 3kin n LEU 24 Ca 0.00 1.70 0.16 0.00 -0.02 0.00 0.00 56.01 57.85 3kin n LEU 24 Cb 0.00 -0.40 0.61 0.00 -1.62 0.00 0.00 43.42 42.00 3kin n LEU 24 CO 0.00 -1.54 1.18 -0.09 -1.22 0.00 0.00 177.39 175.72 3kin h ARG 25 N 0.00 0.17 -0.53 3.23 2.43 -1.02 -3.46 114.38 115.20 3kin h ARG 25 Ca 0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3kin h ARG 25 Cb 0.60 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3kin h ARG 25 CO -0.97 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 178.01 3kin n GLY 26 N -1.58 0.93 3.61 2.80 0.00 0.44 -5.01 105.19 106.37 3kin n GLY 26 Ca 0.09 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3kin n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kin n ASP 27 N 1.19 1.33 -4.83 1.61 9.92 -1.19 -4.96 116.55 119.61 3kin n ASP 27 Ca 0.00 1.06 -0.35 0.00 -0.53 0.00 0.00 54.79 54.98 3kin n ASP 27 Cb 0.36 -1.35 -0.06 0.00 -0.64 0.00 0.00 41.12 39.43 3kin n ASP 27 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3kin s LYS 28 N -1.93 4.12 -0.55 -1.24 -2.85 -1.26 -4.95 119.74 111.08 3kin s LYS 28 Ca 0.62 0.72 -0.22 0.00 -1.00 0.00 0.00 55.97 56.10 3kin s LYS 28 Cb -0.58 -2.76 0.06 0.00 -2.06 0.00 0.00 37.83 32.49 3kin s LYS 28 CO 0.58 0.34 0.80 0.12 0.10 0.00 0.00 175.35 177.29 3kin s PHE 29 N -1.64 2.89 0.04 1.78 2.19 -1.26 -4.95 117.98 117.03 3kin s PHE 29 Ca 0.45 -0.37 -0.04 0.00 0.33 0.00 0.00 56.93 57.30 3kin s PHE 29 Cb -0.14 -3.89 -0.28 0.00 -1.31 0.00 0.00 43.02 37.39 3kin s PHE 29 CO 0.20 -1.27 1.01 -0.84 1.83 0.00 0.00 175.22 176.15 3kin h ILE 30 N 5.94 1.34 -2.72 3.12 3.07 -1.98 -3.48 117.51 122.81 3kin h ILE 30 Ca -0.27 -2.94 -0.59 0.00 1.55 0.00 0.00 64.86 62.61 3kin h ILE 30 Cb 1.08 2.87 0.11 0.00 -0.27 0.00 0.00 36.82 40.61 3kin h ILE 30 CO 1.05 0.86 0.28 -2.65 -1.05 0.00 0.00 178.15 176.64 3kin n PRO 31 N -3.50 1.62 -3.73 0.16 -0.02 -1.26 -3.11 135.00 125.16 3kin n PRO 31 Ca -0.12 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.65 3kin n PRO 31 Cb 1.04 -2.03 -0.16 0.00 -0.02 0.00 0.00 33.50 32.33 3kin n PRO 31 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kin s LYS 32 N -1.53 0.65 0.09 -0.52 2.47 0.17 -4.91 119.74 116.15 3kin s LYS 32 Ca 0.59 -0.51 -0.10 0.00 -1.56 0.00 0.00 55.97 54.39 3kin s LYS 32 Cb -0.66 -2.06 -0.06 0.00 -1.46 0.00 0.00 37.83 33.59 3kin s LYS 32 CO 0.60 -0.70 0.41 -0.06 0.16 0.00 0.00 175.35 175.76 3kin s PHE 33 N 1.84 3.57 -0.05 4.03 0.08 -1.26 0.19 117.98 126.38 3kin s PHE 33 Ca 0.01 0.79 0.03 0.00 0.12 0.00 0.00 56.93 57.88 3kin s PHE 33 Cb -0.17 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 3kin s PHE 33 CO -0.11 0.50 -0.14 0.15 -0.10 0.00 0.00 175.22 175.52 3kin s LYS 34 N -1.98 1.60 3.32 0.44 -0.14 -0.73 -4.93 119.74 117.32 3kin s LYS 34 Ca 0.34 -0.49 0.00 0.00 -1.36 0.00 0.00 55.97 54.46 3kin s LYS 34 Cb -0.14 -1.38 0.00 0.00 -1.68 0.00 0.00 37.83 34.63 3kin s LYS 34 CO 0.19 0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.34 3kin n GLY 35 N 3.35 2.45 0.00 -3.33 0.00 -1.26 -2.38 105.19 104.03 3kin n GLY 35 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3kin n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kin n GLU 36 N 14.00 2.38 0.00 1.61 1.02 -1.26 -4.74 120.64 133.65 3kin n GLU 36 Ca 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 3kin n GLU 36 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3kin n GLU 36 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kin n GLU 37 N -0.42 1.40 -4.22 3.49 1.02 -1.24 -1.79 120.64 118.88 3kin n GLU 37 Ca 0.00 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 3kin n GLU 37 Cb 0.23 -0.10 -0.07 0.00 -0.02 0.00 0.00 31.44 31.48 3kin n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kin s THR 38 N -0.20 3.79 -0.19 2.62 2.01 -1.00 -0.96 115.64 121.71 3kin s THR 38 Ca 0.00 -1.62 -0.28 0.00 0.31 0.00 0.00 61.69 60.10 3kin s THR 38 Cb 0.00 -2.99 0.11 0.00 0.01 0.00 0.00 72.50 69.63 3kin s THR 38 CO 0.00 -0.28 0.93 0.54 -0.69 0.00 0.00 174.62 175.12 3kin s VAL 39 N -2.07 0.00 -0.03 3.82 0.11 -1.19 -1.77 120.40 119.27 3kin s VAL 39 Ca 0.30 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.32 3kin s VAL 39 Cb -0.08 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3kin s VAL 39 CO 0.21 0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.38 3kin s VAL 40 N -0.54 0.02 -0.37 2.04 1.01 0.51 -1.52 120.40 121.54 3kin s VAL 40 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 3kin s VAL 40 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.16 3kin s VAL 40 CO 0.00 -0.09 0.34 -0.63 0.00 0.00 0.00 175.10 174.73 3kin s ILE 41 N -0.26 5.19 0.00 2.22 1.01 -1.26 0.42 121.20 128.52 3kin s ILE 41 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3kin s ILE 41 Cb -0.02 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3kin s ILE 41 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.36 3kin n GLY 42 N 5.06 0.22 1.31 6.18 0.00 -1.18 -2.14 105.19 114.64 3kin n GLY 42 Ca -0.10 0.65 0.04 0.00 0.00 0.00 0.00 46.02 46.61 3kin n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kin n GLN 43 N 0.00 0.58 -0.76 1.61 7.27 -1.26 -5.04 117.38 119.78 3kin n GLN 43 Ca 0.00 -2.47 0.00 0.00 0.07 0.00 0.00 57.00 54.60 3kin n GLN 43 Cb 0.00 -0.56 0.00 0.00 2.41 0.00 0.00 30.24 32.09 3kin n GLN 43 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kin n GLY 44 N -0.02 1.64 3.82 1.69 0.00 -0.91 -5.10 105.19 106.31 3kin n GLY 44 Ca 0.10 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 3kin n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kin s LYS 45 N -1.31 4.13 0.24 1.61 1.02 -1.26 -4.81 119.74 119.36 3kin s LYS 45 Ca 0.00 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.35 3kin s LYS 45 Cb 0.00 -3.10 -0.10 0.00 -0.52 0.00 0.00 37.83 34.10 3kin s LYS 45 CO 0.00 0.56 1.49 -1.25 -0.92 0.00 0.00 175.35 175.24 3kin s PRO 46 N -1.47 4.23 -0.36 -1.68 0.04 -1.26 -4.78 135.00 129.72 3kin s PRO 46 Ca 0.33 2.37 -0.13 0.00 0.04 0.00 0.00 61.00 63.61 3kin s PRO 46 Cb -0.18 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3kin s PRO 46 CO 0.19 -0.50 0.24 0.71 0.04 0.00 0.00 177.00 177.68 3kin s TYR 47 N 0.18 3.23 -0.18 0.56 1.51 -0.58 -4.96 117.35 117.11 3kin s TYR 47 Ca 0.62 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 56.12 3kin s TYR 47 Cb -0.43 -2.48 -0.04 0.00 -0.11 0.00 0.00 41.96 38.89 3kin s TYR 47 CO 0.42 -0.48 0.09 0.08 -1.11 0.00 0.00 175.55 174.55 3kin s VAL 48 N 1.67 5.03 0.32 0.71 1.01 -1.26 -3.16 120.40 124.72 3kin s VAL 48 Ca 0.05 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3kin s VAL 48 Cb -0.18 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 3kin s VAL 48 CO 0.09 0.47 -0.07 -0.36 0.00 0.00 0.00 175.10 175.23 3kin s PHE 49 N 0.25 2.21 0.26 5.22 0.40 -0.13 -5.02 117.98 121.16 3kin s PHE 49 Ca 0.06 -0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 55.68 3kin s PHE 49 Cb -0.12 -1.29 0.40 0.00 0.51 0.00 0.00 43.02 42.52 3kin s PHE 49 CO -0.00 0.43 1.58 -0.44 0.70 0.00 0.00 175.22 177.48 3kin h ASP 50 N 2.11 -0.86 -5.15 1.36 5.19 -1.47 -3.42 116.42 114.18 3kin h ASP 50 Ca -0.41 0.27 -0.08 0.00 -0.62 0.00 0.00 57.03 56.20 3kin h ASP 50 Cb 1.24 0.57 -0.13 0.00 0.18 0.00 0.00 39.33 41.19 3kin h ASP 50 CO 0.70 -0.30 -0.26 -0.60 -3.12 0.00 0.00 179.24 175.65 3kin s ARG 51 N -6.24 0.97 -0.20 3.56 6.06 -1.23 -4.75 118.95 117.11 3kin s ARG 51 Ca -0.15 -0.91 -0.04 0.00 -2.50 0.00 0.00 55.73 52.13 3kin s ARG 51 Cb 0.25 0.39 0.09 0.00 0.06 0.00 0.00 34.95 35.74 3kin s ARG 51 CO 0.77 -0.34 0.19 0.08 -2.50 0.00 0.00 175.30 173.49 3kin s VAL 52 N -3.86 -0.26 -0.40 7.11 1.01 -0.74 -1.87 120.40 121.39 3kin s VAL 52 Ca 0.06 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 3kin s VAL 52 Cb 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3kin s VAL 52 CO -0.09 -0.25 0.35 -0.76 0.00 0.00 0.00 175.10 174.35 3kin s LEU 53 N 2.28 4.86 1.31 3.92 1.43 -0.43 -4.77 118.68 127.28 3kin s LEU 53 Ca 0.06 -0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 3kin s LEU 53 Cb -0.16 -2.26 0.33 0.00 0.03 0.00 0.00 46.19 44.13 3kin s LEU 53 CO -0.13 -0.46 1.03 -2.84 0.23 0.00 0.00 176.35 174.19 3kin s PRO 54 N 1.89 -2.04 0.53 1.29 0.02 -1.26 -1.59 135.00 133.84 3kin s PRO 54 Ca 0.09 0.01 0.18 0.00 0.02 0.00 0.00 61.00 61.30 3kin s PRO 54 Cb -0.18 -1.49 1.34 0.00 0.02 0.00 0.00 34.50 34.19 3kin s PRO 54 CO 0.12 -4.27 2.14 -1.00 -0.33 0.00 0.00 177.00 173.66 3kin h PRO 55 N -2.98 0.00 -0.01 5.54 0.13 -1.88 -0.55 132.00 132.25 3kin h PRO 55 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3kin h PRO 55 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3kin h PRO 55 CO 0.31 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.35 3kin n ASN 56 N -4.45 0.13 -4.71 1.44 2.04 -1.26 -4.49 115.26 103.97 3kin n ASN 56 Ca -0.01 -1.29 -0.42 0.00 -0.44 0.00 0.00 54.58 52.42 3kin n ASN 56 Cb 0.15 -0.01 -0.03 0.00 -2.53 0.00 0.00 39.78 37.37 3kin n ASN 56 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3kin s THR 57 N -1.99 2.93 0.57 5.53 2.01 -0.21 -4.99 115.64 119.48 3kin s THR 57 Ca 0.36 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.96 3kin s THR 57 Cb 0.17 -3.36 0.06 0.00 0.01 0.00 0.00 72.50 69.37 3kin s THR 57 CO 0.28 0.03 0.79 0.42 -0.69 0.00 0.00 174.62 175.44 3kin s THR 58 N 1.72 2.52 -0.52 -0.82 -4.23 -1.26 -4.93 115.64 108.12 3kin s THR 58 Ca 0.70 -0.77 0.23 0.00 -1.18 0.00 0.00 61.69 60.67 3kin s THR 58 Cb -0.41 -2.75 0.24 0.00 1.34 0.00 0.00 72.50 70.92 3kin s THR 58 CO 0.31 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 176.08 3kin n GLN 59 N -2.34 0.18 0.04 3.99 1.13 -1.26 -1.64 117.38 117.47 3kin n GLN 59 Ca 0.11 0.41 -0.13 0.00 -1.94 0.00 0.00 57.00 55.44 3kin n GLN 59 Cb 0.60 -1.84 -0.14 0.00 0.11 0.00 0.00 30.24 28.97 3kin n GLN 59 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3kin h GLU 60 N 0.00 0.15 -0.05 -1.09 4.81 -1.87 -3.18 114.58 113.35 3kin h GLU 60 Ca 0.00 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 3kin h GLU 60 Cb 0.35 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.84 3kin h GLU 60 CO 0.00 0.96 -0.48 1.96 -0.73 0.00 0.00 179.01 180.71 3kin h GLN 61 N 0.04 0.41 -0.32 1.92 4.20 -1.85 -1.79 115.11 117.72 3kin h GLN 61 Ca -0.22 -0.38 0.04 0.00 0.06 0.00 0.00 58.65 58.15 3kin h GLN 61 Cb 1.97 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.81 3kin h GLN 61 CO 0.13 1.03 0.06 0.28 -0.67 0.00 0.00 178.83 179.67 3kin h VAL 62 N -0.08 0.85 -0.43 -0.54 2.07 -1.46 0.59 116.25 117.26 3kin h VAL 62 Ca -0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3kin h VAL 62 Cb 1.16 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3kin h VAL 62 CO 0.10 0.03 0.22 0.22 0.02 0.00 0.00 177.57 178.16 3kin h TYR 63 N 0.18 0.60 -0.60 1.57 5.03 -1.60 0.63 116.97 122.78 3kin h TYR 63 Ca 0.15 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 3kin h TYR 63 Cb 0.16 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 3kin h TYR 63 CO -0.18 0.48 0.12 -0.91 -1.32 0.00 0.00 178.16 176.36 3kin h ASN 64 N 0.55 0.89 -0.30 -2.11 2.35 -0.72 0.30 115.58 116.54 3kin h ASN 64 Ca 0.15 -0.18 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 3kin h ASN 64 Cb 0.10 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3kin h ASN 64 CO -0.02 0.88 -0.51 0.00 -1.65 0.00 0.00 177.43 176.12 3kin h ALA 65 N 1.23 0.47 0.00 -0.83 0.00 0.61 -3.38 119.26 117.37 3kin h ALA 65 Ca 0.19 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.27 3kin h ALA 65 Cb 0.35 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3kin h ALA 65 CO 0.00 0.67 -2.05 0.00 0.00 0.00 0.00 179.25 177.87 3kin n ALA 67 N -3.99 2.29 -0.09 0.00 0.00 0.89 -4.59 120.51 115.01 3kin n ALA 67 Ca -0.39 -1.12 -0.10 0.00 0.00 0.00 0.00 53.44 51.83 3kin n ALA 67 Cb 0.76 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3kin n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kin h LYS 68 N 2.94 0.44 0.17 0.00 1.63 -1.25 -3.31 116.57 117.20 3kin h LYS 68 Ca 0.00 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3kin h LYS 68 Cb 0.81 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 3kin h LYS 68 CO 0.00 0.52 -0.08 0.37 -3.45 0.00 0.00 179.45 176.81 3kin h GLN 69 N 0.28 -0.22 -0.90 1.90 5.75 -1.87 -3.32 115.11 116.73 3kin h GLN 69 Ca 0.09 0.02 0.24 0.00 -0.15 0.00 0.00 58.65 58.84 3kin h GLN 69 Cb 0.28 0.05 -0.17 0.00 1.07 0.00 0.00 27.48 28.71 3kin h GLN 69 CO 0.00 0.14 -0.00 -0.89 -2.65 0.00 0.00 178.83 175.43 3kin n ILE 70 N -5.02 -0.38 -0.12 2.39 2.08 -1.24 0.31 119.36 117.38 3kin n ILE 70 Ca -0.09 2.00 -0.07 0.00 0.56 0.00 0.00 62.75 65.15 3kin n ILE 70 Cb 0.24 -2.90 0.01 0.00 -0.75 0.00 0.00 39.64 36.25 3kin n ILE 70 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3kin h VAL 71 N 0.00 0.99 0.34 1.39 2.07 -1.67 0.35 116.25 119.72 3kin h VAL 71 Ca 0.54 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 3kin h VAL 71 Cb 1.09 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3kin h VAL 71 CO -0.86 0.07 -0.16 0.11 0.02 0.00 0.00 177.57 176.75 3kin h LYS 72 N 0.41 -0.44 0.00 1.57 1.57 -0.27 -0.32 116.57 119.09 3kin h LYS 72 Ca 0.16 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3kin h LYS 72 Cb 0.06 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kin h LYS 72 CO -0.11 -0.27 0.00 -0.25 -0.57 0.00 0.00 179.45 178.25 3kin n ASP 73 N -5.27 0.00 -0.16 0.86 8.00 -0.12 -1.30 116.55 118.56 3kin n ASP 73 Ca -0.10 0.92 0.28 0.00 0.71 0.00 0.00 54.79 56.60 3kin n ASP 73 Cb 0.21 -0.42 0.72 0.00 -0.02 0.00 0.00 41.12 41.61 3kin n ASP 73 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3kin h VAL 74 N 0.00 0.46 -0.00 2.53 2.07 -0.32 1.31 116.25 122.31 3kin h VAL 74 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kin h VAL 74 Cb 0.00 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3kin h VAL 74 CO 0.00 0.00 -0.02 0.18 0.02 0.00 0.00 177.57 177.75 3kin n LEU 75 N -4.10 0.05 0.02 2.57 4.77 -0.13 -2.64 117.00 117.54 3kin n LEU 75 Ca 0.18 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 3kin n LEU 75 Cb 0.98 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 3kin n LEU 75 CO 0.36 0.01 -0.12 1.21 -1.33 0.00 0.00 177.39 177.52 3kin n GLU 76 N -1.36 0.33 0.00 3.23 2.13 0.45 -4.94 120.64 120.47 3kin n GLU 76 Ca 0.11 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3kin n GLU 76 Cb 0.29 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.42 3kin n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kin n GLY 77 N 1.36 0.95 3.89 8.31 0.00 -1.02 -4.91 105.19 113.76 3kin n GLY 77 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3kin n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kin s TYR 78 N -2.00 3.59 0.11 1.61 1.51 -1.08 -4.22 117.35 116.87 3kin s TYR 78 Ca 0.00 1.07 -0.16 0.00 -1.01 0.00 0.00 57.07 56.98 3kin s TYR 78 Cb 0.00 -2.52 -0.07 0.00 -0.11 0.00 0.00 41.96 39.26 3kin s TYR 78 CO 0.00 -0.47 0.53 -0.80 -1.11 0.00 0.00 175.55 173.71 3kin s ASN 79 N -4.06 6.88 0.00 2.29 0.01 -1.26 -3.69 114.94 115.12 3kin s ASN 79 Ca 0.52 1.11 0.03 0.00 -0.71 0.00 0.00 52.86 53.80 3kin s ASN 79 Cb -0.11 -2.30 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3kin s ASN 79 CO 0.48 0.18 -0.10 -0.83 -1.51 0.00 0.00 177.10 175.32 3kin s GLY 80 N -1.48 0.52 -0.16 0.66 0.00 0.49 -4.80 107.32 102.56 3kin s GLY 80 Ca 0.34 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.49 3kin s GLY 80 CO 0.18 -0.46 0.33 -1.59 0.00 0.00 0.00 173.10 171.57 3kin s THR 81 N -0.42 -0.45 -0.04 0.90 2.01 -1.26 -1.33 115.64 115.06 3kin s THR 81 Ca 0.02 0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.30 3kin s THR 81 Cb -0.05 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 3kin s THR 81 CO -0.00 0.09 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.17 3kin s ILE 82 N 2.32 1.80 -0.07 1.82 1.01 -0.97 -4.99 121.20 122.13 3kin s ILE 82 Ca -0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3kin s ILE 82 Cb -0.12 -1.52 0.03 0.00 0.01 0.00 0.00 42.46 40.86 3kin s ILE 82 CO -0.10 0.51 0.29 0.72 0.00 0.00 0.00 174.94 176.35 3kin s PHE 83 N -0.29 -0.25 -0.12 3.97 -0.12 -1.26 -2.18 117.98 117.72 3kin s PHE 83 Ca 0.02 0.57 -0.10 0.00 -0.05 0.00 0.00 56.93 57.36 3kin s PHE 83 Cb -0.11 0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.33 3kin s PHE 83 CO 0.01 -0.24 0.22 0.00 -0.05 0.00 0.00 175.22 175.17 3kin s ALA 84 N -0.41 3.75 0.04 1.99 0.00 -1.06 -5.01 121.76 121.07 3kin s ALA 84 Ca -0.05 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.43 3kin s ALA 84 Cb -0.03 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 3kin s ALA 84 CO 0.02 0.40 -0.15 -0.47 0.00 0.00 0.00 175.76 175.56 3kin s TYR 85 N -0.49 1.28 0.00 0.00 6.14 -1.26 -2.75 117.35 120.27 3kin s TYR 85 Ca 0.16 -0.37 0.00 0.00 0.64 0.00 0.00 57.07 57.50 3kin s TYR 85 Cb -0.13 -0.75 0.00 0.00 0.42 0.00 0.00 41.96 41.50 3kin s TYR 85 CO 0.05 0.05 0.00 0.41 0.64 0.00 0.00 175.55 176.69 3kin n GLY 86 N 1.80 3.68 3.68 8.97 0.00 -1.26 -4.93 105.19 117.12 3kin n GLY 86 Ca -0.18 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 3kin n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kin s GLN 87 N -2.45 1.09 0.49 1.61 -2.07 -1.26 -2.55 119.66 114.51 3kin s GLN 87 Ca 0.00 1.58 -0.24 0.00 -1.82 0.00 0.00 55.36 54.88 3kin s GLN 87 Cb 0.00 -1.73 -0.07 0.00 -1.09 0.00 0.00 33.01 30.12 3kin s GLN 87 CO 0.00 -2.59 1.42 2.41 -1.32 0.00 0.00 175.29 175.21 3kin n THR 88 N -4.13 3.23 -2.70 3.63 -1.04 -1.26 -2.65 114.28 109.36 3kin n THR 88 Ca 0.12 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.48 3kin n THR 88 Cb 0.52 -1.79 0.02 0.00 -1.82 0.00 0.00 70.33 67.26 3kin n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3kin n SER 89 N -0.54 -4.55 -0.00 8.00 7.64 -1.26 -4.93 113.62 117.98 3kin n SER 89 Ca 0.07 -0.17 0.08 0.00 1.01 0.00 0.00 58.87 59.86 3kin n SER 89 Cb 0.43 -3.45 -0.11 0.00 -1.01 0.00 0.00 64.21 60.07 3kin n SER 89 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3kin n SER 90 N -1.02 1.25 0.00 6.43 3.41 -1.08 -5.01 113.62 117.59 3kin n SER 90 Ca -0.09 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 3kin n SER 90 Cb 0.59 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 66.03 3kin n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kin n GLY 91 N 1.54 1.15 0.43 5.00 0.00 -1.26 -4.57 105.19 107.48 3kin n GLY 91 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 3kin n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kin h LYS 92 N 0.00 -0.47 -0.03 1.61 1.57 -1.91 0.22 116.57 117.55 3kin h LYS 92 Ca 0.00 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3kin h LYS 92 Cb 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3kin h LYS 92 CO 0.00 -0.32 -0.37 1.15 -0.57 0.00 0.00 179.45 179.34 3kin h THR 93 N -0.49 1.28 -0.45 -0.16 2.02 -1.97 0.44 112.91 113.57 3kin h THR 93 Ca 0.07 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 65.87 3kin h THR 93 Cb 0.64 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 3kin h THR 93 CO -0.47 0.38 0.07 -0.74 0.37 0.00 0.00 175.52 175.14 3kin h HIS 94 N 0.05 0.81 -0.02 3.16 -0.00 -1.75 0.25 115.15 117.64 3kin h HIS 94 Ca 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.25 3kin h HIS 94 Cb 0.69 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 3kin h HIS 94 CO 0.00 0.76 -0.04 1.15 -0.00 0.00 0.00 177.93 179.80 3kin h THR 95 N 0.62 1.44 -0.03 6.26 2.02 -0.23 0.72 112.91 123.70 3kin h THR 95 Ca 0.14 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 3kin h THR 95 Cb 0.39 2.30 -0.00 0.00 -1.74 0.00 0.00 68.15 69.10 3kin h THR 95 CO 0.01 0.36 -0.00 -0.03 0.37 0.00 0.00 175.52 176.23 3kin h MET 96 N -0.47 0.06 0.00 6.66 -1.53 -0.15 -2.48 114.93 117.02 3kin h MET 96 Ca 0.00 -0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.11 3kin h MET 96 Cb 0.61 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.63 3kin h MET 96 CO 0.01 0.36 -1.22 0.39 0.14 0.00 0.00 176.91 176.59 3kin n GLU 97 N -4.89 0.28 0.00 0.39 1.02 0.27 -1.69 120.64 116.02 3kin n GLU 97 Ca -0.07 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3kin n GLU 97 Cb 0.18 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3kin n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kin n GLY 98 N 2.28 -0.37 3.56 0.62 0.00 0.62 -0.38 105.19 111.52 3kin n GLY 98 Ca -0.19 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 3kin n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kin s LYS 99 N 0.00 2.34 0.29 1.61 -0.14 0.32 -4.66 119.74 119.50 3kin s LYS 99 Ca 0.00 1.46 0.03 0.00 -1.36 0.00 0.00 55.97 56.10 3kin s LYS 99 Cb 0.00 -4.52 0.65 0.00 -1.68 0.00 0.00 37.83 32.27 3kin s LYS 99 CO 0.00 -3.00 1.79 1.25 -0.76 0.00 0.00 175.35 174.63 3kin h LEU 100 N 18.46 0.78 -0.58 3.17 5.85 -1.78 -2.74 115.31 138.47 3kin h LEU 100 Ca -0.27 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3kin h LEU 100 Cb 1.25 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3kin h LEU 100 CO 1.13 0.33 -0.32 1.41 -0.34 0.00 0.00 178.44 180.65 3kin n HIS 101 N -4.74 0.00 -2.25 1.25 8.25 -1.26 -4.85 115.22 111.61 3kin n HIS 101 Ca 0.21 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.24 3kin n HIS 101 Cb 0.49 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 3kin n HIS 101 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kin s ASP 102 N -1.65 6.20 0.22 0.41 -1.08 -1.19 -4.86 116.67 114.72 3kin s ASP 102 Ca 0.08 0.93 0.11 0.00 -0.52 0.00 0.00 52.55 53.16 3kin s ASP 102 Cb 0.09 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.61 3kin s ASP 102 CO 0.34 -1.52 1.25 -2.65 0.52 0.00 0.00 175.17 173.10 3kin n PRO 103 N 8.20 0.07 -0.13 4.34 -0.02 -1.26 -1.22 135.00 144.98 3kin n PRO 103 Ca 0.18 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.94 3kin n PRO 103 Cb 0.48 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 31.95 3kin n PRO 103 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3kin n GLN 104 N -1.88 0.60 -1.20 -0.52 7.27 -1.26 -4.60 117.38 115.79 3kin n GLN 104 Ca -0.01 0.21 -0.24 0.00 0.07 0.00 0.00 57.00 57.02 3kin n GLN 104 Cb 0.18 -1.48 0.16 0.00 2.41 0.00 0.00 30.24 31.51 3kin n GLN 104 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3kin n LEU 105 N -3.78 6.74 -4.89 1.69 4.77 -0.64 -4.62 117.00 116.26 3kin n LEU 105 Ca -0.50 -3.62 -0.29 0.00 -0.03 0.00 0.00 56.01 51.58 3kin n LEU 105 Cb 0.92 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3kin n LEU 105 CO 0.13 1.08 0.47 0.00 -1.33 0.00 0.00 177.39 177.74 3kin s MET 106 N -3.24 3.61 0.05 3.23 0.23 -0.36 0.12 119.30 122.95 3kin s MET 106 Ca 0.56 0.32 0.01 0.00 -1.03 0.00 0.00 55.69 55.55 3kin s MET 106 Cb 0.47 -2.35 0.01 0.00 -1.53 0.00 0.00 34.83 31.42 3kin s MET 106 CO 0.09 -0.19 0.05 0.41 -2.03 0.00 0.00 175.02 173.35 3kin n GLY 107 N -2.03 2.80 0.42 3.16 0.00 0.49 -4.78 105.19 105.25 3kin n GLY 107 Ca 0.02 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 3kin n GLY 107 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kin h ILE 108 N 0.41 0.00 -0.16 -0.61 5.03 -1.38 -2.31 117.51 118.48 3kin h ILE 108 Ca -0.03 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.74 3kin h ILE 108 Cb 0.12 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 33.85 3kin h ILE 108 CO 0.05 0.00 -0.50 0.40 -0.68 0.00 0.00 178.15 177.42 3kin h ILE 109 N -0.09 0.00 -0.50 -0.67 2.04 -1.60 0.37 117.51 117.06 3kin h ILE 109 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 3kin h ILE 109 Cb 0.45 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 3kin h ILE 109 CO -0.85 0.00 -0.11 -0.65 0.00 0.00 0.00 178.15 176.53 3kin h PRO 110 N -0.50 0.01 -0.01 2.37 0.11 -1.74 -1.87 132.00 130.37 3kin h PRO 110 Ca 0.03 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3kin h PRO 110 Cb 0.60 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3kin h PRO 110 CO -0.42 0.01 0.01 0.00 -0.21 0.00 0.00 178.00 177.38 3kin h ARG 111 N 0.01 0.02 -0.71 1.05 3.08 -0.81 -2.95 114.38 114.07 3kin h ARG 111 Ca 0.24 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.43 3kin h ARG 111 Cb 0.37 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.32 3kin h ARG 111 CO -0.50 0.03 0.21 0.82 -1.07 0.00 0.00 179.97 179.46 3kin h ILE 112 N -0.00 0.60 -0.26 2.04 2.04 0.47 0.92 117.51 123.32 3kin h ILE 112 Ca 0.00 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3kin h ILE 112 Cb 0.02 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3kin h ILE 112 CO -0.00 0.06 0.03 0.00 0.00 0.00 0.00 178.15 178.23 3kin h ALA 113 N 1.55 1.56 0.20 1.87 0.00 -1.22 0.38 119.26 123.59 3kin h ALA 113 Ca 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3kin h ALA 113 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kin h ALA 113 CO -0.44 0.33 -0.10 0.45 0.00 0.00 0.00 179.25 179.49 3kin h HIS 114 N 0.38 -0.25 -0.35 0.00 3.86 -0.72 -3.23 115.15 114.84 3kin h HIS 114 Ca 0.09 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 3kin h HIS 114 Cb 0.21 0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.72 3kin h HIS 114 CO 0.01 0.14 0.05 -0.44 0.86 0.00 0.00 177.93 178.54 3kin h ASP 115 N -0.72 -0.03 -0.47 2.45 5.19 -0.96 0.71 116.42 122.58 3kin h ASP 115 Ca -0.03 0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.52 3kin h ASP 115 Cb 0.50 0.09 -0.09 0.00 0.18 0.00 0.00 39.33 40.01 3kin h ASP 115 CO 0.05 0.02 -0.46 0.40 -3.12 0.00 0.00 179.24 176.13 3kin h ILE 116 N 0.16 0.08 0.01 0.35 2.04 -0.98 0.67 117.51 119.85 3kin h ILE 116 Ca 0.17 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.82 3kin h ILE 116 Cb 0.20 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3kin h ILE 116 CO -0.23 0.00 -0.92 -0.26 0.00 0.00 0.00 178.15 176.74 3kin h PHE 117 N -0.30 0.36 -0.73 1.37 0.04 -1.54 -1.06 116.94 115.07 3kin h PHE 117 Ca 0.14 -0.20 0.14 0.00 2.80 0.00 0.00 57.97 60.85 3kin h PHE 117 Cb 0.58 -0.04 -0.14 0.00 2.20 0.00 0.00 35.95 38.55 3kin h PHE 117 CO -0.67 1.03 -0.21 0.22 -0.60 0.00 0.00 178.31 178.08 3kin h ASP 118 N 0.13 -0.76 0.30 2.17 1.82 0.19 -1.85 116.42 118.41 3kin h ASP 118 Ca -0.06 0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 3kin h ASP 118 Cb 1.56 0.48 0.00 0.00 0.68 0.00 0.00 39.33 42.05 3kin h ASP 118 CO 0.14 -0.25 -0.14 0.45 -1.61 0.00 0.00 179.24 177.83 3kin h HIS 119 N -0.02 -0.37 -1.00 0.28 3.86 0.44 -3.28 115.15 115.05 3kin h HIS 119 Ca 0.34 -0.01 0.35 0.00 -1.16 0.00 0.00 60.37 59.89 3kin h HIS 119 Cb 0.54 0.12 -0.16 0.00 1.06 0.00 0.00 27.41 28.98 3kin h HIS 119 CO -0.60 -0.03 0.55 0.82 0.86 0.00 0.00 177.93 179.53 3kin h ILE 120 N -0.91 0.21 -0.20 2.45 2.04 -0.62 0.20 117.51 120.68 3kin h ILE 120 Ca -0.04 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3kin h ILE 120 Cb 0.51 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 3kin h ILE 120 CO 0.07 0.04 -0.06 1.88 0.00 0.00 0.00 178.15 180.08 3kin h TYR 121 N 0.22 -0.12 0.00 1.37 0.05 -1.42 -0.13 116.97 116.94 3kin h TYR 121 Ca 0.76 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.56 3kin h TYR 121 Cb 1.83 0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.66 3kin h TYR 121 CO -0.02 -0.10 0.00 0.43 -1.05 0.00 0.00 178.16 177.42 3kin n SER 122 N -5.21 0.00 -4.86 3.88 7.64 0.53 -4.87 113.62 110.73 3kin n SER 122 Ca -0.02 -0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.18 3kin n SER 122 Cb 0.13 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.16 3kin n SER 122 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3kin s MET 123 N -2.37 3.55 0.13 1.43 -1.94 -0.06 -4.97 119.30 115.07 3kin s MET 123 Ca 0.31 0.80 -0.32 0.00 -1.71 0.00 0.00 55.69 54.76 3kin s MET 123 Cb 0.18 -2.07 -0.18 0.00 2.01 0.00 0.00 34.83 34.77 3kin s MET 123 CO 0.38 -0.61 0.74 -3.47 -0.01 0.00 0.00 175.02 172.05 3kin n ASP 124 N -2.68 -0.71 -0.00 3.03 -0.08 -1.26 -4.86 116.55 109.99 3kin n ASP 124 Ca 0.06 1.14 0.15 0.00 -1.51 0.00 0.00 54.79 54.63 3kin n ASP 124 Cb 0.54 -0.95 0.75 0.00 2.34 0.00 0.00 41.12 43.80 3kin n ASP 124 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3kin n GLU 125 N 1.19 0.40 0.02 -0.67 2.13 -1.26 -3.62 120.64 118.83 3kin n GLU 125 Ca 0.19 -0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.95 3kin n GLU 125 Cb 0.19 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.29 3kin n GLU 125 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3kin h ASN 126 N 0.00 0.00 -3.61 4.31 -0.26 -1.95 -3.47 115.58 110.60 3kin h ASN 126 Ca 0.00 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.12 3kin h ASN 126 Cb 0.30 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.42 3kin h ASN 126 CO 0.00 0.88 -0.32 -1.48 -1.06 0.00 0.00 177.43 175.46 3kin s LEU 127 N -6.18 4.10 0.18 1.61 0.05 -1.24 0.08 118.68 117.29 3kin s LEU 127 Ca -0.03 0.30 -0.14 0.00 0.05 0.00 0.00 54.13 54.32 3kin s LEU 127 Cb 0.08 -2.35 -0.07 0.00 -2.05 0.00 0.00 46.19 41.80 3kin s LEU 127 CO 0.82 -0.07 0.58 -1.83 -0.55 0.00 0.00 176.35 175.30 3kin s GLU 128 N 1.49 3.97 0.40 1.48 -1.05 -0.80 -4.74 118.70 119.44 3kin s GLU 128 Ca 0.14 0.49 0.08 0.00 -0.15 0.00 0.00 54.97 55.53 3kin s GLU 128 Cb -0.15 -2.83 -0.01 0.00 -0.44 0.00 0.00 34.13 30.70 3kin s GLU 128 CO 0.08 0.41 0.42 -0.06 0.95 0.00 0.00 175.26 177.07 3kin s PHE 129 N -1.58 2.80 -0.33 4.83 0.40 -1.26 -1.80 117.98 121.04 3kin s PHE 129 Ca 0.41 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 3kin s PHE 129 Cb -0.14 -2.15 0.19 0.00 0.51 0.00 0.00 43.02 41.42 3kin s PHE 129 CO 0.20 -0.14 0.77 -1.01 0.70 0.00 0.00 175.22 175.73 3kin s HIS 130 N -2.39 -1.30 -0.14 0.36 3.76 -0.96 -4.97 115.29 109.64 3kin s HIS 130 Ca 0.49 0.53 -0.14 0.00 -0.15 0.00 0.00 55.06 55.79 3kin s HIS 130 Cb -0.06 0.23 -0.05 0.00 1.11 0.00 0.00 32.58 33.81 3kin s HIS 130 CO 0.29 -0.81 0.30 0.42 -0.85 0.00 0.00 174.74 174.09 3kin s ILE 131 N 2.45 5.29 -0.25 0.60 1.09 -1.26 -2.65 121.20 126.47 3kin s ILE 131 Ca 0.16 0.57 0.00 0.00 -1.10 0.00 0.00 60.65 60.28 3kin s ILE 131 Cb -0.05 -3.63 0.07 0.00 -1.06 0.00 0.00 42.46 37.79 3kin s ILE 131 CO -0.18 0.42 -0.00 -0.75 -0.10 0.00 0.00 174.94 174.32 3kin s LYS 132 N 0.26 1.31 0.18 2.79 2.20 -0.79 -1.53 119.74 124.16 3kin s LYS 132 Ca 0.17 -1.01 0.04 0.00 -0.36 0.00 0.00 55.97 54.82 3kin s LYS 132 Cb -0.13 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 3kin s LYS 132 CO 0.05 -0.70 0.28 0.14 -0.36 0.00 0.00 175.35 174.75 3kin s VAL 133 N 1.45 5.12 -0.04 4.02 -7.23 -0.73 -1.42 120.40 121.57 3kin s VAL 133 Ca -0.01 -0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 59.15 3kin s VAL 133 Cb -0.18 -3.68 0.02 0.00 0.56 0.00 0.00 36.38 33.10 3kin s VAL 133 CO -0.10 -0.18 0.31 -0.44 -0.31 0.00 0.00 175.10 174.38 3kin s SER 134 N -3.46 -0.22 -0.14 4.85 0.01 -0.85 -1.21 113.70 112.69 3kin s SER 134 Ca 0.34 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.75 3kin s SER 134 Cb -0.10 0.38 0.05 0.00 0.21 0.00 0.00 66.02 66.57 3kin s SER 134 CO 0.28 -0.38 0.09 -0.47 0.41 0.00 0.00 173.24 173.17 3kin s TYR 135 N -1.03 0.11 0.15 2.43 5.04 -1.26 -1.37 117.35 121.42 3kin s TYR 135 Ca -0.11 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 3kin s TYR 135 Cb -0.05 -0.60 -0.04 0.00 0.35 0.00 0.00 41.96 41.62 3kin s TYR 135 CO 0.03 -0.42 0.04 -0.59 -1.34 0.00 0.00 175.55 173.27 3kin s PHE 136 N 2.17 1.02 0.22 4.97 -0.12 -1.11 -0.44 117.98 124.69 3kin s PHE 136 Ca 0.03 -1.16 0.11 0.00 -0.05 0.00 0.00 56.93 55.86 3kin s PHE 136 Cb -0.15 -0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 3kin s PHE 136 CO -0.08 -0.41 -0.20 -1.83 -0.05 0.00 0.00 175.22 172.66 3kin s GLU 137 N -4.00 1.51 -0.30 1.99 -1.05 -0.07 -0.77 118.70 115.99 3kin s GLU 137 Ca 0.25 -1.61 0.01 0.00 -0.15 0.00 0.00 54.97 53.47 3kin s GLU 137 Cb 0.07 -1.60 0.09 0.00 -0.44 0.00 0.00 34.13 32.25 3kin s GLU 137 CO 0.03 0.31 0.05 0.42 0.95 0.00 0.00 175.26 177.03 3kin s ILE 138 N -2.28 1.47 -0.07 1.83 1.01 0.37 -0.49 121.20 123.03 3kin s ILE 138 Ca 0.24 -1.68 0.03 0.00 0.00 0.00 0.00 60.65 59.23 3kin s ILE 138 Cb -0.05 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3kin s ILE 138 CO 0.11 -0.54 -0.15 -0.47 0.00 0.00 0.00 174.94 173.89 3kin s TYR 139 N 1.33 1.69 -1.18 3.97 5.04 -0.65 -1.73 117.35 125.83 3kin s TYR 139 Ca 0.07 -0.66 -0.06 0.00 -2.44 0.00 0.00 57.07 53.98 3kin s TYR 139 Cb -0.18 -1.21 -0.02 0.00 0.35 0.00 0.00 41.96 40.89 3kin s TYR 139 CO -0.16 -0.32 0.83 1.28 -1.34 0.00 0.00 175.55 175.85 3kin n LEU 140 N 3.79 -3.94 0.00 6.97 4.77 -1.26 -1.74 117.00 125.59 3kin n LEU 140 Ca -0.22 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3kin n LEU 140 Cb 0.52 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.77 3kin n LEU 140 CO 0.26 0.33 0.00 -0.67 -1.33 0.00 0.00 177.39 175.97 3kin n ASP 141 N -3.04 -0.94 -4.78 -1.43 2.03 -1.26 -4.87 116.55 102.25 3kin n ASP 141 Ca -0.19 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.76 3kin n ASP 141 Cb 0.64 -1.39 -0.08 0.00 -0.72 0.00 0.00 41.12 39.58 3kin n ASP 141 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kin s LYS 142 N -0.61 3.41 -0.45 -0.67 -0.14 -0.71 -5.07 119.74 115.49 3kin s LYS 142 Ca 0.00 -0.24 -0.17 0.00 -1.36 0.00 0.00 55.97 54.19 3kin s LYS 142 Cb 0.00 -3.09 0.04 0.00 -1.68 0.00 0.00 37.83 33.11 3kin s LYS 142 CO 0.00 0.67 0.47 0.42 -0.76 0.00 0.00 175.35 176.15 3kin s ILE 143 N -0.74 5.07 -0.23 2.17 1.01 -1.26 -1.63 121.20 125.59 3kin s ILE 143 Ca 0.13 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 3kin s ILE 143 Cb -0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3kin s ILE 143 CO 0.03 -0.55 0.43 -0.60 0.00 0.00 0.00 174.94 174.24 3kin s ARG 144 N 2.13 4.11 -0.02 2.79 3.52 0.36 -1.68 118.95 130.17 3kin s ARG 144 Ca 0.11 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.61 3kin s ARG 144 Cb -0.19 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 3kin s ARG 144 CO 0.11 -0.18 1.45 0.34 -0.81 0.00 0.00 175.30 176.22 3kin s ASP 145 N 1.31 6.81 0.01 -2.12 -1.08 -1.25 -0.89 116.67 119.45 3kin s ASP 145 Ca 0.19 2.13 0.26 0.00 -0.52 0.00 0.00 52.55 54.60 3kin s ASP 145 Cb -0.15 -2.55 0.70 0.00 -1.46 0.00 0.00 42.92 39.45 3kin s ASP 145 CO 0.09 -0.77 1.55 0.18 0.52 0.00 0.00 175.17 176.74 3kin n LEU 146 N 5.81 0.37 -1.46 -1.34 4.77 0.42 -3.44 117.00 122.13 3kin n LEU 146 Ca 0.14 0.15 0.02 0.00 -0.03 0.00 0.00 56.01 56.29 3kin n LEU 146 Cb 0.43 -0.32 0.29 0.00 -2.33 0.00 0.00 43.42 41.50 3kin n LEU 146 CO 0.59 0.08 0.85 0.18 -1.33 0.00 0.00 177.39 177.76 3kin n LEU 147 N -1.53 4.96 -2.86 2.23 4.77 -1.25 -4.26 117.00 119.07 3kin n LEU 147 Ca 0.06 -3.18 0.03 0.00 -0.03 0.00 0.00 56.01 52.89 3kin n LEU 147 Cb 0.34 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3kin n LEU 147 CO 0.33 0.79 0.49 -0.62 -1.33 0.00 0.00 177.39 177.05 3kin s ASP 148 N -1.54 -0.33 0.00 -1.43 -1.08 -1.22 -4.98 116.67 106.09 3kin s ASP 148 Ca 0.49 -0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.62 3kin s ASP 148 Cb 0.40 0.62 1.18 0.00 -1.46 0.00 0.00 42.92 43.65 3kin s ASP 148 CO 0.10 -0.04 1.64 1.33 0.52 0.00 0.00 175.17 178.72 3kin n VAL 149 N 4.05 0.13 -0.14 1.11 0.24 -1.25 -2.42 118.33 120.04 3kin n VAL 149 Ca 0.07 0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.30 3kin n VAL 149 Cb 0.62 -0.70 0.03 0.00 -1.47 0.00 0.00 33.84 32.32 3kin n VAL 149 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kin h SER 150 N 0.00 0.96 -3.38 -1.34 0.87 -1.94 -3.42 113.55 105.30 3kin h SER 150 Ca 0.00 -0.35 -0.55 0.00 -1.23 0.00 0.00 61.79 59.66 3kin h SER 150 Cb 0.06 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.72 3kin h SER 150 CO 0.00 1.12 0.08 -0.54 -0.53 0.00 0.00 176.83 176.96 3kin s LYS 151 N -4.69 4.41 0.00 2.24 1.02 -1.02 -4.95 119.74 116.76 3kin s LYS 151 Ca -0.11 0.93 0.00 0.00 0.02 0.00 0.00 55.97 56.82 3kin s LYS 151 Cb 0.13 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 3kin s LYS 151 CO 0.86 0.43 0.00 2.41 -0.92 0.00 0.00 175.35 178.13 3kin n THR 152 N 2.35 0.00 -2.57 2.17 -1.04 -1.26 -3.79 114.28 110.15 3kin n THR 152 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 3kin n THR 152 Cb 0.50 0.81 0.02 0.00 -1.82 0.00 0.00 70.33 69.85 3kin n THR 152 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3kin n ASN 153 N 0.00 2.78 -4.58 8.00 5.15 -1.26 -4.35 115.26 121.01 3kin n ASN 153 Ca 0.00 -2.99 -0.37 0.00 -0.60 0.00 0.00 54.58 50.63 3kin n ASN 153 Cb 0.01 -0.48 0.07 0.00 -0.53 0.00 0.00 39.78 38.85 3kin n ASN 153 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3kin n LEU 154 N -0.35 2.91 -4.37 1.20 7.99 -0.67 -4.88 117.00 118.82 3kin n LEU 154 Ca 0.21 0.71 -0.29 0.00 -0.01 0.00 0.00 56.01 56.63 3kin n LEU 154 Cb 0.79 -1.35 -0.13 0.00 -0.11 0.00 0.00 43.42 42.62 3kin n LEU 154 CO 0.27 -2.25 -0.57 0.00 -1.51 0.00 0.00 177.39 173.33 3kin s ALA 155 N -1.70 2.31 -0.17 -1.18 0.00 -1.26 -4.25 121.76 115.51 3kin s ALA 155 Ca 0.73 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 3kin s ALA 155 Cb -0.38 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3kin s ALA 155 CO 0.50 0.53 0.77 0.08 0.00 0.00 0.00 175.76 177.64 3kin s VAL 156 N -1.00 4.93 0.00 0.00 1.01 -1.26 0.11 120.40 124.19 3kin s VAL 156 Ca 0.13 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3kin s VAL 156 Cb -0.10 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3kin s VAL 156 CO 0.05 0.07 0.00 1.41 0.00 0.00 0.00 175.10 176.63 3kin n HIS 157 N 5.03 -0.26 -3.83 5.22 8.25 -0.19 -4.90 115.22 124.55 3kin n HIS 157 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 3kin n HIS 157 Cb 0.49 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 3kin n HIS 157 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kin s GLU 158 N 0.09 0.27 0.64 -0.41 2.02 -1.26 -2.59 118.70 117.46 3kin s GLU 158 Ca 0.00 0.08 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 3kin s GLU 158 Cb 0.00 0.12 0.06 0.00 0.10 0.00 0.00 34.13 34.41 3kin s GLU 158 CO 0.00 -0.05 0.91 0.16 0.02 0.00 0.00 175.26 176.31 3kin s ASP 159 N -0.27 4.92 0.27 -0.19 -4.77 -1.09 -4.92 116.67 110.62 3kin s ASP 159 Ca -0.04 0.16 -0.04 0.00 -3.30 0.00 0.00 52.55 49.33 3kin s ASP 159 Cb -0.03 -0.87 0.55 0.00 -1.09 0.00 0.00 42.92 41.49 3kin s ASP 159 CO 0.01 -1.45 1.61 0.07 0.70 0.00 0.00 175.17 176.10 3kin h LYS 160 N -0.32 0.08 -1.04 2.11 2.10 -2.02 0.17 116.57 117.65 3kin h LYS 160 Ca -0.43 -0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 57.85 3kin h LYS 160 Cb 1.30 -0.02 -0.21 0.00 -0.90 0.00 0.00 32.23 32.40 3kin h LYS 160 CO 0.54 0.05 0.47 0.27 -2.00 0.00 0.00 179.45 178.78 3kin n ASN 161 N -5.39 3.95 -1.07 7.07 6.94 -1.26 -4.90 115.26 120.61 3kin n ASN 161 Ca 0.17 -3.14 -0.11 0.00 -0.02 0.00 0.00 54.58 51.48 3kin n ASN 161 Cb 0.58 -0.77 -0.03 0.00 -2.36 0.00 0.00 39.78 37.19 3kin n ASN 161 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kin n ARG 162 N -0.57 -0.85 -3.61 -3.83 1.74 0.61 -5.02 116.66 105.12 3kin n ARG 162 Ca 0.41 0.76 -0.38 0.00 -0.77 0.00 0.00 57.85 57.87 3kin n ARG 162 Cb 1.22 -4.81 -0.11 0.00 -1.02 0.00 0.00 32.46 27.74 3kin n ARG 162 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3kin s VAL 163 N -2.49 5.26 1.09 1.55 -7.23 -1.25 -4.81 120.40 112.52 3kin s VAL 163 Ca 0.00 0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 3kin s VAL 163 Cb 0.00 -3.50 0.24 0.00 0.56 0.00 0.00 36.38 33.68 3kin s VAL 163 CO 0.00 0.27 1.03 -2.65 -0.31 0.00 0.00 175.10 173.43 3kin n PRO 164 N 4.95 -1.76 0.00 4.82 -0.02 -1.26 -2.67 135.00 139.05 3kin n PRO 164 Ca -0.14 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 3kin n PRO 164 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3kin n PRO 164 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3kin n TYR 165 N -4.72 0.00 -1.82 6.00 4.11 -1.07 -4.90 117.16 114.76 3kin n TYR 165 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.54 3kin n TYR 165 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.86 3kin n TYR 165 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3kin s VAL 166 N -1.40 2.19 0.20 -3.48 1.01 -1.26 -1.02 120.40 116.63 3kin s VAL 166 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3kin s VAL 166 Cb 0.00 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 3kin s VAL 166 CO 0.00 0.02 0.45 -0.75 0.00 0.00 0.00 175.10 174.83 3kin s LYS 167 N -0.21 3.66 -1.54 2.72 2.47 0.30 -4.48 119.74 122.65 3kin s LYS 167 Ca 0.64 -0.00 -0.02 0.00 -1.56 0.00 0.00 55.97 55.04 3kin s LYS 167 Cb -0.47 -2.76 0.01 0.00 -1.46 0.00 0.00 37.83 33.16 3kin s LYS 167 CO 0.44 0.38 0.13 0.41 0.16 0.00 0.00 175.35 176.87 3kin n GLY 168 N -0.22 -0.16 3.98 5.54 0.00 -1.26 -4.31 105.19 108.75 3kin n GLY 168 Ca -0.02 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3kin n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kin s THR 170 N -2.52 3.99 -0.20 0.00 2.01 -1.26 -5.04 115.64 112.62 3kin s THR 170 Ca 0.52 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.50 3kin s THR 170 Cb -0.10 -4.23 0.05 0.00 0.01 0.00 0.00 72.50 68.22 3kin s THR 170 CO 0.36 0.44 -0.09 -1.61 -0.69 0.00 0.00 174.62 173.03 3kin s GLU 171 N -1.32 1.90 -0.24 4.92 2.02 -1.26 -4.38 118.70 120.33 3kin s GLU 171 Ca 0.43 -0.84 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 3kin s GLU 171 Cb -0.26 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 3kin s GLU 171 CO 0.32 -0.46 0.02 1.03 0.02 0.00 0.00 175.26 176.20 3kin s ARG 172 N 1.42 3.48 -0.05 1.61 1.81 -0.35 -4.96 118.95 121.91 3kin s ARG 172 Ca -0.02 -0.57 -0.30 0.00 -1.72 0.00 0.00 55.73 53.12 3kin s ARG 172 Cb -0.17 -3.18 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 3kin s ARG 172 CO -0.08 -0.21 1.22 -0.06 -0.68 0.00 0.00 175.30 175.49 3kin s PHE 173 N 1.54 3.15 -0.08 -0.53 0.08 -1.26 -1.78 117.98 119.10 3kin s PHE 173 Ca 0.06 1.17 0.02 0.00 0.12 0.00 0.00 56.93 58.30 3kin s PHE 173 Cb -0.15 -3.45 0.01 0.00 -0.57 0.00 0.00 43.02 38.86 3kin s PHE 173 CO 0.00 -1.45 -0.14 0.14 -0.10 0.00 0.00 175.22 173.67 3kin s VAL 174 N 2.21 1.32 -0.32 -0.44 -7.23 -0.58 -5.00 120.40 110.36 3kin s VAL 174 Ca 0.57 -0.56 0.10 0.00 -1.81 0.00 0.00 61.98 60.27 3kin s VAL 174 Cb -0.26 -1.20 0.46 0.00 0.56 0.00 0.00 36.38 35.94 3kin s VAL 174 CO 0.23 0.40 1.15 -1.54 -0.31 0.00 0.00 175.10 175.02 3kin n SER 175 N 3.97 4.18 0.00 4.85 3.41 -1.26 -4.06 113.62 124.70 3kin n SER 175 Ca -0.21 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 54.98 3kin n SER 175 Cb 0.52 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3kin n SER 175 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kin n SER 176 N -0.61 0.00 -0.02 4.04 3.41 -1.26 -5.01 113.62 114.18 3kin n SER 176 Ca 0.35 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.98 3kin n SER 176 Cb 0.87 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 65.16 3kin n SER 176 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kin h PRO 177 N 0.00 0.56 -0.32 4.33 0.11 -1.92 -2.37 132.00 132.39 3kin h PRO 177 Ca 0.00 -0.08 0.05 0.00 0.11 0.00 0.00 66.00 66.08 3kin h PRO 177 Cb 0.00 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 30.96 3kin h PRO 177 CO 0.00 0.50 0.03 0.93 -0.21 0.00 0.00 178.00 179.25 3kin h GLU 178 N 0.56 0.13 -0.54 1.05 3.07 -1.95 -2.56 114.58 114.34 3kin h GLU 178 Ca 0.13 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 3kin h GLU 178 Cb 0.17 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3kin h GLU 178 CO -0.01 0.08 0.15 0.93 -1.40 0.00 0.00 179.01 178.76 3kin h GLU 179 N 0.13 0.86 -0.92 2.33 5.08 -1.84 -2.81 114.58 117.42 3kin h GLU 179 Ca 0.15 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3kin h GLU 179 Cb 0.19 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3kin h GLU 179 CO -0.23 0.80 0.60 0.28 -1.00 0.00 0.00 179.01 179.46 3kin h VAL 180 N 0.76 1.14 0.00 3.13 2.07 -1.16 -1.34 116.25 120.86 3kin h VAL 180 Ca 0.17 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kin h VAL 180 Cb 0.32 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3kin h VAL 180 CO -0.00 0.21 0.00 0.24 0.02 0.00 0.00 177.57 178.04 3kin h MET 181 N 1.15 0.00 -0.32 1.57 2.86 -1.37 -2.21 114.93 116.60 3kin h MET 181 Ca 0.37 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.89 3kin h MET 181 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3kin h MET 181 CO -0.13 0.00 -0.26 -0.44 1.06 0.00 0.00 176.91 177.14 3kin h ASP 182 N 0.00 0.78 -0.12 1.22 3.32 -0.98 0.34 116.42 120.97 3kin h ASP 182 Ca 0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 3kin h ASP 182 Cb 0.68 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3kin h ASP 182 CO 0.00 1.07 0.05 0.58 -1.72 0.00 0.00 179.24 179.22 3kin h VAL 183 N 0.51 1.15 -0.33 -1.35 2.07 -1.23 1.02 116.25 118.08 3kin h VAL 183 Ca 0.06 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3kin h VAL 183 Cb 0.82 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3kin h VAL 183 CO 0.07 0.13 0.09 0.40 0.02 0.00 0.00 177.57 178.28 3kin h ILE 184 N 0.04 0.87 -0.14 4.57 5.03 -1.29 0.27 117.51 126.85 3kin h ILE 184 Ca 0.04 -0.07 0.03 0.00 -0.12 0.00 0.00 64.86 64.74 3kin h ILE 184 Cb 0.17 0.63 -0.03 0.00 -3.03 0.00 0.00 36.82 34.55 3kin h ILE 184 CO -0.00 0.04 -0.07 0.44 -0.68 0.00 0.00 178.15 177.87 3kin h ASP 185 N 0.21 -0.24 -0.55 1.72 3.32 0.24 0.20 116.42 121.33 3kin h ASP 185 Ca 0.15 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.32 3kin h ASP 185 Cb 0.15 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 3kin h ASP 185 CO -0.18 -0.10 0.26 -0.08 -1.72 0.00 0.00 179.24 177.42 3kin h GLU 186 N -0.06 0.48 0.00 3.56 4.81 0.16 -2.64 114.58 120.89 3kin h GLU 186 Ca 0.08 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 3kin h GLU 186 Cb 0.18 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3kin h GLU 186 CO -0.18 0.32 -0.68 0.78 -0.73 0.00 0.00 179.01 178.51 3kin h GLY 187 N 0.50 0.00 1.55 1.92 0.00 -0.08 -2.85 103.07 104.10 3kin h GLY 187 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 3kin h GLY 187 CO -0.20 0.00 -0.25 1.70 0.00 0.00 0.00 176.54 177.80 3kin h LYS 188 N 0.00 0.53 0.06 4.80 3.64 -0.35 -3.01 116.57 122.23 3kin h LYS 188 Ca -0.01 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3kin h LYS 188 Cb 1.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3kin h LYS 188 CO 0.09 0.74 -0.03 0.00 -2.27 0.00 0.00 179.45 177.98 3kin h ALA 189 N 1.27 -0.58 -0.63 5.00 0.00 -1.43 -3.35 119.26 119.54 3kin h ALA 189 Ca 0.07 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3kin h ALA 189 Cb 0.68 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 3kin h ALA 189 CO 0.05 -0.57 -0.26 0.09 0.00 0.00 0.00 179.25 178.56 3kin n ASN 190 N -2.33 -0.45 0.09 0.00 4.13 -1.08 0.45 115.26 116.07 3kin n ASN 190 Ca -0.01 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.35 3kin n ASN 190 Cb 0.03 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 3kin n ASN 190 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3kin n ARG 191 N -4.91 0.01 0.10 3.52 0.63 -1.14 0.36 116.66 115.24 3kin n ARG 191 Ca 0.06 0.26 -0.17 0.00 -0.92 0.00 0.00 57.85 57.07 3kin n ARG 191 Cb 0.24 -2.13 -0.14 0.00 0.45 0.00 0.00 32.46 30.88 3kin n ARG 191 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3kin h HIS 192 N 0.00 0.57 -0.77 -0.14 3.86 -0.21 -3.41 115.15 115.05 3kin h HIS 192 Ca 0.00 -0.41 -0.78 0.00 -1.16 0.00 0.00 60.37 58.02 3kin h HIS 192 Cb 1.26 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 3kin h HIS 192 CO 0.00 1.35 1.07 0.28 0.86 0.00 0.00 177.93 181.49 3kin n VAL 193 N -3.55 0.09 -0.78 2.45 0.31 1.13 0.19 118.33 118.18 3kin n VAL 193 Ca -0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3kin n VAL 193 Cb 1.04 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 3kin n VAL 193 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kin n ALA 194 N 6.45 0.00 -2.69 3.52 0.00 -1.26 -5.01 120.51 121.53 3kin n ALA 194 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 3kin n ALA 194 Cb 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 3kin n ALA 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kin s VAL 195 N -3.66 5.11 0.00 0.00 1.01 0.52 -5.00 120.40 118.38 3kin s VAL 195 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3kin s VAL 195 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3kin s VAL 195 CO 0.00 0.22 0.09 0.35 0.00 0.00 0.00 175.10 175.76 3kin n THR 196 N 4.22 0.00 -3.60 3.92 -2.24 -1.26 -4.75 114.28 110.56 3kin n THR 196 Ca -0.04 0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.57 3kin n THR 196 Cb 0.51 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 3kin n THR 196 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kin s ASN 197 N -1.24 6.00 0.31 3.42 3.84 -1.26 -4.99 114.94 121.03 3kin s ASN 197 Ca 0.00 -0.00 0.04 0.00 0.21 0.00 0.00 52.86 53.11 3kin s ASN 197 Cb 0.00 -2.11 0.52 0.00 -0.55 0.00 0.00 41.25 39.11 3kin s ASN 197 CO 0.00 -0.04 1.79 -0.03 -2.79 0.00 0.00 177.10 176.04 3kin h MET 198 N 8.26 0.45 0.10 0.43 1.85 -1.99 -3.23 114.93 120.79 3kin h MET 198 Ca -0.35 -0.14 0.01 0.00 -0.61 0.00 0.00 59.70 58.61 3kin h MET 198 Cb 1.19 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 33.14 3kin h MET 198 CO 0.56 0.60 -0.43 -0.91 -0.40 0.00 0.00 176.91 176.34 3kin h ASN 199 N 0.41 -1.28 -0.01 1.39 2.35 -2.01 -3.16 115.58 113.26 3kin h ASN 199 Ca 0.07 0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3kin h ASN 199 Cb 0.53 0.47 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3kin h ASN 199 CO 0.03 -0.45 -0.13 -0.33 -1.65 0.00 0.00 177.43 174.91 3kin h GLU 200 N -0.61 -0.15 0.00 0.81 3.07 -1.97 -2.01 114.58 113.73 3kin h GLU 200 Ca -0.01 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kin h GLU 200 Cb 0.61 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3kin h GLU 200 CO -0.23 -0.10 0.00 1.58 -1.40 0.00 0.00 179.01 178.86 3kin n HIS 201 N -3.20 0.00 -0.31 4.33 -0.00 -1.20 0.52 115.22 115.36 3kin n HIS 201 Ca -0.02 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.18 3kin n HIS 201 Cb 0.09 -0.30 0.21 0.00 -0.12 0.00 0.00 29.99 29.87 3kin n HIS 201 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 3kin h SER 202 N 0.00 0.97 -0.22 0.26 0.02 -1.64 0.74 113.55 113.67 3kin h SER 202 Ca 0.00 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3kin h SER 202 Cb 0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3kin h SER 202 CO 0.00 0.66 0.71 0.28 -1.14 0.00 0.00 176.83 177.34 3kin h SER 203 N 1.12 0.00 0.00 3.07 0.02 0.86 1.20 113.55 119.81 3kin h SER 203 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3kin h SER 203 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3kin h SER 203 CO -0.12 0.00 -0.02 -1.14 -1.14 0.00 0.00 176.83 174.41 3kin n ARG 204 N -2.94 2.10 -4.49 3.45 3.00 0.22 -0.07 116.66 117.94 3kin n ARG 204 Ca 0.04 -1.51 -0.23 0.00 -0.00 0.00 0.00 57.85 56.15 3kin n ARG 204 Cb 0.80 -0.99 -0.11 0.00 0.00 0.00 0.00 32.46 32.17 3kin n ARG 204 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3kin s SER 205 N -1.17 2.87 -0.13 6.15 0.01 0.41 -4.72 113.70 117.11 3kin s SER 205 Ca 0.06 -1.32 0.01 0.00 1.31 0.00 0.00 55.95 56.01 3kin s SER 205 Cb 0.05 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3kin s SER 205 CO 0.01 -0.49 -0.16 -1.00 0.41 0.00 0.00 173.24 172.01 3kin s HIS 206 N -3.07 2.19 -0.20 2.43 3.76 -0.71 -3.02 115.29 116.67 3kin s HIS 206 Ca 0.34 -1.14 -0.05 0.00 -0.15 0.00 0.00 55.06 54.06 3kin s HIS 206 Cb 0.08 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.17 3kin s HIS 206 CO 0.15 -0.59 0.00 -1.54 -0.85 0.00 0.00 174.74 171.91 3kin s SER 207 N 1.19 4.81 -0.23 1.40 1.04 -1.10 0.14 113.70 120.95 3kin s SER 207 Ca -0.01 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.22 3kin s SER 207 Cb -0.14 -1.82 0.05 0.00 0.10 0.00 0.00 66.02 64.21 3kin s SER 207 CO -0.06 0.05 -0.10 -0.63 0.98 0.00 0.00 173.24 173.48 3kin s ILE 208 N 1.07 1.82 -0.02 -1.02 1.01 0.05 -1.12 121.20 122.99 3kin s ILE 208 Ca 0.02 -1.27 -0.17 0.00 0.00 0.00 0.00 60.65 59.23 3kin s ILE 208 Cb -0.14 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 3kin s ILE 208 CO 0.01 0.06 0.47 0.12 0.00 0.00 0.00 174.94 175.60 3kin s PHE 209 N 1.29 3.68 -0.17 3.97 5.36 0.32 -2.75 117.98 129.68 3kin s PHE 209 Ca -0.05 1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 56.95 3kin s PHE 209 Cb -0.18 -2.42 0.04 0.00 -0.34 0.00 0.00 43.02 40.12 3kin s PHE 209 CO -0.07 0.48 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.96 3kin s LEU 210 N -0.55 1.60 -0.20 6.12 2.96 -0.47 0.24 118.68 128.38 3kin s LEU 210 Ca 0.26 -0.70 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 3kin s LEU 210 Cb -0.17 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 3kin s LEU 210 CO 0.14 -0.20 0.08 -0.63 -1.32 0.00 0.00 176.35 174.41 3kin s ILE 211 N 1.65 4.84 -0.53 6.68 1.01 0.10 -2.01 121.20 132.96 3kin s ILE 211 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 3kin s ILE 211 Cb -0.16 -3.21 0.14 0.00 0.01 0.00 0.00 42.46 39.25 3kin s ILE 211 CO -0.07 0.43 0.32 0.21 0.00 0.00 0.00 174.94 175.82 3kin s ASN 212 N 0.62 5.08 -0.23 3.58 3.84 -0.51 -0.04 114.94 127.28 3kin s ASN 212 Ca 0.04 -2.59 -0.17 0.00 0.21 0.00 0.00 52.86 50.35 3kin s ASN 212 Cb -0.13 -1.80 -0.03 0.00 -0.55 0.00 0.00 41.25 38.74 3kin s ASN 212 CO 0.01 -0.40 0.47 -0.63 -2.79 0.00 0.00 177.10 173.76 3kin s ILE 213 N 0.33 5.13 -0.20 -5.21 1.01 -0.75 -1.88 121.20 119.62 3kin s ILE 213 Ca 0.14 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.62 3kin s ILE 213 Cb -0.22 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.51 3kin s ILE 213 CO -0.03 0.17 -0.08 -0.75 0.00 0.00 0.00 174.94 174.25 3kin s LYS 214 N 1.79 1.76 0.27 2.79 2.20 -1.08 -0.42 119.74 127.05 3kin s LYS 214 Ca 0.21 -0.78 0.11 0.00 -0.36 0.00 0.00 55.97 55.15 3kin s LYS 214 Cb -0.15 -2.34 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 3kin s LYS 214 CO 0.09 -0.47 -0.15 1.14 -0.36 0.00 0.00 175.35 175.60 3kin s GLN 215 N 1.47 1.85 -0.25 4.03 -2.07 -0.69 -2.27 119.66 121.73 3kin s GLN 215 Ca -0.02 -1.66 -0.04 0.00 -1.82 0.00 0.00 55.36 51.83 3kin s GLN 215 Cb -0.17 -1.89 0.13 0.00 -1.09 0.00 0.00 33.01 30.00 3kin s GLN 215 CO -0.08 0.34 0.43 -2.00 -1.32 0.00 0.00 175.29 172.67 3kin s GLU 216 N -3.52 0.39 -0.13 9.60 2.12 -0.74 0.12 118.70 126.54 3kin s GLU 216 Ca 0.30 0.75 -0.29 0.00 0.36 0.00 0.00 54.97 56.09 3kin s GLU 216 Cb -0.06 -0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 3kin s GLU 216 CO 0.16 -0.54 1.87 1.21 -0.54 0.00 0.00 175.26 177.42 3kin s ASN 217 N 2.63 6.19 0.18 -1.70 3.84 -0.20 -1.91 114.94 123.96 3kin s ASN 217 Ca 0.11 2.04 -0.13 0.00 0.21 0.00 0.00 52.86 55.08 3kin s ASN 217 Cb -0.15 -2.53 0.08 0.00 -0.55 0.00 0.00 41.25 38.11 3kin s ASN 217 CO -0.16 -1.35 1.80 -0.37 -2.79 0.00 0.00 177.10 174.23 3kin h VAL 218 N 6.21 1.18 0.21 -5.21 -1.51 -0.65 1.30 116.25 117.78 3kin h VAL 218 Ca -0.41 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 3kin h VAL 218 Cb 1.20 0.41 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 3kin h VAL 218 CO 0.97 0.19 -0.48 -0.08 -1.23 0.00 0.00 177.57 176.94 3kin h GLU 219 N 0.79 -0.73 -0.34 5.19 4.81 -1.90 -3.07 114.58 119.33 3kin h GLU 219 Ca 0.21 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3kin h GLU 219 Cb 0.01 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kin h GLU 219 CO -0.04 -0.49 0.00 0.25 -0.73 0.00 0.00 179.01 178.01 3kin n THR 220 N -5.23 0.43 0.00 0.32 -2.24 -1.19 -4.96 114.28 101.40 3kin n THR 220 Ca -0.09 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3kin n THR 220 Cb 0.39 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3kin n THR 220 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kin n GLU 221 N 1.47 0.00 -0.08 -0.78 2.13 0.45 -4.91 120.64 118.92 3kin n GLU 221 Ca 0.19 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.98 3kin n GLU 221 Cb 0.61 -0.17 -0.00 0.00 0.27 0.00 0.00 31.44 32.14 3kin n GLU 221 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3kin n LYS 222 N 0.00 0.00 -4.51 5.31 4.81 -1.24 -3.99 118.16 118.54 3kin n LYS 222 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 3kin n LYS 222 Cb 0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 35.03 34.87 3kin n LYS 222 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3kin s LYS 223 N 0.13 3.17 0.31 1.64 1.02 -1.26 -1.03 119.74 123.71 3kin s LYS 223 Ca 0.05 -0.52 0.07 0.00 0.02 0.00 0.00 55.97 55.58 3kin s LYS 223 Cb -0.06 -2.75 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 3kin s LYS 223 CO 0.04 0.49 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.40 3kin s LEU 224 N -0.32 2.54 -0.24 3.17 1.43 0.33 -4.97 118.68 120.62 3kin s LEU 224 Ca 0.05 -1.23 -0.26 0.00 -1.03 0.00 0.00 54.13 51.67 3kin s LEU 224 Cb -0.12 -0.71 0.08 0.00 0.03 0.00 0.00 46.19 45.46 3kin s LEU 224 CO 0.02 -0.35 0.78 -0.94 0.23 0.00 0.00 176.35 176.09 3kin s SER 225 N -3.51 -0.67 0.04 2.29 1.04 -1.26 -1.70 113.70 109.93 3kin s SER 225 Ca 0.31 1.21 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 3kin s SER 225 Cb 0.04 1.20 -0.00 0.00 0.10 0.00 0.00 66.02 67.36 3kin s SER 225 CO 0.14 -0.29 0.14 -0.83 0.98 0.00 0.00 173.24 173.38 3kin s GLY 226 N 0.08 0.11 -0.10 7.32 0.00 0.44 -4.30 107.32 110.88 3kin s GLY 226 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.31 3kin s GLY 226 CO 0.01 -0.57 -0.13 1.25 0.00 0.00 0.00 173.10 173.66 3kin s LYS 227 N -2.49 1.96 -0.19 2.90 2.47 -1.25 -1.81 119.74 121.33 3kin s LYS 227 Ca -0.06 -0.47 -0.05 0.00 -1.56 0.00 0.00 55.97 53.84 3kin s LYS 227 Cb -0.02 -1.71 -0.03 0.00 -1.46 0.00 0.00 37.83 34.62 3kin s LYS 227 CO -0.04 -0.08 -0.01 -1.17 0.16 0.00 0.00 175.35 174.22 3kin s LEU 228 N 1.03 3.27 -0.35 5.43 1.98 0.94 -0.38 118.68 130.60 3kin s LEU 228 Ca -0.07 -0.18 0.02 0.00 -2.89 0.00 0.00 54.13 51.01 3kin s LEU 228 Cb -0.15 -1.82 0.10 0.00 0.66 0.00 0.00 46.19 44.98 3kin s LEU 228 CO -0.01 0.09 0.07 -0.31 -1.89 0.00 0.00 176.35 174.30 3kin s TYR 229 N 0.85 3.66 -0.51 5.38 2.02 -0.44 -0.72 117.35 127.60 3kin s TYR 229 Ca 0.00 -2.76 -0.17 0.00 -0.37 0.00 0.00 57.07 53.78 3kin s TYR 229 Cb -0.14 -2.88 0.08 0.00 -0.40 0.00 0.00 41.96 38.61 3kin s TYR 229 CO 0.02 -0.94 0.53 -0.51 -1.57 0.00 0.00 175.55 173.08 3kin s LEU 230 N 0.99 5.42 -0.07 -1.29 1.43 0.14 -2.29 118.68 123.00 3kin s LEU 230 Ca 0.08 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 51.99 3kin s LEU 230 Cb -0.20 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3kin s LEU 230 CO -0.06 -0.82 -0.23 -0.69 0.23 0.00 0.00 176.35 174.77 3kin s VAL 231 N 2.13 2.19 -0.31 -1.59 1.01 -0.93 0.12 120.40 123.02 3kin s VAL 231 Ca 0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3kin s VAL 231 Cb -0.23 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.40 3kin s VAL 231 CO 0.08 0.56 0.01 -0.62 0.00 0.00 0.00 175.10 175.14 3kin s ASP 232 N -0.01 4.85 1.03 3.32 2.15 -0.27 -2.56 116.67 125.18 3kin s ASP 232 Ca -0.08 -1.48 -0.13 0.00 0.43 0.00 0.00 52.55 51.29 3kin s ASP 232 Cb -0.15 -1.69 0.21 0.00 -0.30 0.00 0.00 42.92 40.98 3kin s ASP 232 CO 0.05 -0.30 1.09 -0.76 -0.17 0.00 0.00 175.17 175.08 3kin s LEU 233 N 1.18 1.43 0.48 -1.34 1.43 -1.11 -2.71 118.68 118.03 3kin s LEU 233 Ca -0.02 1.13 -0.00 0.00 -1.03 0.00 0.00 54.13 54.20 3kin s LEU 233 Cb -0.20 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3kin s LEU 233 CO -0.03 -3.31 0.71 0.00 0.23 0.00 0.00 176.35 173.96 3kin s ALA 234 N -2.95 3.72 0.03 4.21 0.00 -1.17 -4.85 121.76 120.75 3kin s ALA 234 Ca 0.66 -1.05 -0.39 0.00 0.00 0.00 0.00 51.96 51.19 3kin s ALA 234 Cb -0.18 -2.19 -0.18 0.00 0.00 0.00 0.00 23.12 20.57 3kin s ALA 234 CO 0.58 -0.47 1.22 0.41 0.00 0.00 0.00 175.76 177.50 3kin n GLY 235 N -2.17 0.10 0.46 0.00 0.00 0.89 -4.77 105.19 99.71 3kin n GLY 235 Ca 0.02 0.74 0.14 0.00 0.00 0.00 0.00 46.02 46.92 3kin n GLY 235 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kin n SER 236 N 2.08 1.46 -4.69 1.61 3.41 -1.06 -4.85 113.62 111.59 3kin n SER 236 Ca 0.19 -1.45 -0.36 0.00 -0.26 0.00 0.00 58.87 57.00 3kin n SER 236 Cb 0.13 0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.18 3kin n SER 236 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3kin n GLU 237 N 0.10 0.81 -1.01 4.33 0.00 -1.26 -4.83 120.64 118.78 3kin n GLU 237 Ca 0.18 0.34 -0.29 0.00 0.00 0.00 0.00 57.16 57.39 3kin n GLU 237 Cb 0.35 -2.43 0.19 0.00 0.00 0.00 0.00 31.44 29.56 3kin n GLU 237 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3kin s LYS 238 N -3.46 0.10 0.00 3.44 -0.14 -1.26 -5.08 119.74 113.34 3kin s LYS 238 Ca 0.79 0.61 0.00 0.00 -1.36 0.00 0.00 55.97 56.01 3kin s LYS 238 Cb -0.36 -1.69 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 3kin s LYS 238 CO 0.44 -2.98 0.00 1.55 -0.76 0.00 0.00 175.35 173.61