#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mkk n MET 1 N 0.00 1.50 -4.92 0.00 2.00 -1.26 -4.68 117.12 109.76 3mkk n MET 1 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 57.70 56.64 3mkk n MET 1 Cb 0.00 -1.29 -0.17 0.00 0.00 0.00 0.00 33.22 31.76 3mkk n MET 1 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3mkk s ILE 2 N -1.80 1.67 0.12 2.02 1.01 -1.26 -0.50 121.20 122.46 3mkk s ILE 2 Ca 0.25 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.20 3mkk s ILE 2 Cb 0.13 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3mkk s ILE 2 CO 0.20 0.47 -0.21 -0.13 0.00 0.00 0.00 174.94 175.27 3mkk s ARG 3 N 0.51 1.19 -0.18 2.79 0.52 -0.70 -4.96 118.95 118.12 3mkk s ARG 3 Ca -0.16 -1.23 0.01 0.00 -0.52 0.00 0.00 55.73 53.82 3mkk s ARG 3 Cb -0.17 -1.43 0.01 0.00 0.52 0.00 0.00 34.95 33.88 3mkk s ARG 3 CO 0.06 0.32 -0.18 0.21 0.02 0.00 0.00 175.30 175.74 3mkk s LYS 4 N -2.11 3.06 -0.22 3.54 2.20 -1.24 -1.31 119.74 123.65 3mkk s LYS 4 Ca 0.09 -0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 3mkk s LYS 4 Cb -0.09 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 3mkk s LYS 4 CO 0.05 -0.16 0.06 0.71 -0.36 0.00 0.00 175.35 175.65 3mkk s TYR 5 N 1.20 3.13 -0.14 4.03 2.02 0.26 -0.32 117.35 127.53 3mkk s TYR 5 Ca 0.02 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 3mkk s TYR 5 Cb -0.14 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 3mkk s TYR 5 CO -0.09 -0.16 -0.02 0.50 -1.57 0.00 0.00 175.55 174.21 3mkk s ARG 6 N 1.11 3.56 -0.05 -0.62 3.52 -1.26 -0.21 118.95 124.99 3mkk s ARG 6 Ca 0.04 -0.48 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 3mkk s ARG 6 Cb -0.14 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 3mkk s ARG 6 CO 0.03 0.34 -0.23 0.71 -0.81 0.00 0.00 175.30 175.34 3mkk s TYR 7 N 0.11 2.46 0.00 5.12 2.02 0.42 -5.01 117.35 122.46 3mkk s TYR 7 Ca 0.00 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 3mkk s TYR 7 Cb -0.13 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 3mkk s TYR 7 CO 0.02 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.30 3mkk n GLY 8 N 2.75 2.57 2.77 0.71 0.00 -1.08 -1.75 105.19 111.15 3mkk n GLY 8 Ca -0.17 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3mkk n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mkk s ALA 9 N -1.56 2.92 0.51 4.61 0.00 -1.26 -4.86 121.76 122.12 3mkk s ALA 9 Ca 0.00 -3.23 -0.22 0.00 0.00 0.00 0.00 51.96 48.51 3mkk s ALA 9 Cb 0.00 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 21.07 3mkk s ALA 9 CO 0.00 -2.06 1.24 -2.14 0.00 0.00 0.00 175.76 172.81 3mkk s PRO 10 N -0.63 3.40 0.28 0.00 0.02 -1.26 -4.81 135.00 132.01 3mkk s PRO 10 Ca 0.24 1.95 -0.29 0.00 0.02 0.00 0.00 61.00 62.92 3mkk s PRO 10 Cb -0.10 -2.27 -0.09 0.00 0.02 0.00 0.00 34.50 32.05 3mkk s PRO 10 CO -0.12 -0.89 1.18 0.12 -0.33 0.00 0.00 177.00 176.96 3mkk s PHE 11 N -1.46 3.40 -0.71 6.54 5.36 -1.26 -4.97 117.98 124.88 3mkk s PHE 11 Ca 0.69 1.57 -0.27 0.00 -0.96 0.00 0.00 56.93 57.95 3mkk s PHE 11 Cb -0.33 -3.42 0.03 0.00 -0.34 0.00 0.00 43.02 38.96 3mkk s PHE 11 CO 0.39 -1.04 1.25 0.34 -1.46 0.00 0.00 175.22 174.70 3mkk s ASP 12 N -0.58 6.21 0.23 6.13 2.15 -1.26 -4.87 116.67 124.68 3mkk s ASP 12 Ca 0.47 -0.38 0.24 0.00 0.43 0.00 0.00 52.55 53.32 3mkk s ASP 12 Cb -0.34 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.18 3mkk s ASP 12 CO 0.43 -1.75 1.50 0.71 -0.17 0.00 0.00 175.17 175.89 3mkk h THR 13 N 6.05 0.00 -1.36 1.71 1.35 -1.95 -3.47 112.91 115.23 3mkk h THR 13 Ca -0.27 -0.66 -0.41 0.00 -0.55 0.00 0.00 66.41 64.52 3mkk h THR 13 Cb 1.05 1.46 -0.14 0.00 -1.73 0.00 0.00 68.15 68.79 3mkk h THR 13 CO 1.26 0.00 -0.39 -0.62 -0.25 0.00 0.00 175.52 175.51 3mkk n GLU 14 N -2.44 -1.49 -0.13 4.72 1.02 -1.26 -4.91 120.64 116.16 3mkk n GLU 14 Ca 0.04 1.15 -0.04 0.00 -0.02 0.00 0.00 57.16 58.28 3mkk n GLU 14 Cb 0.47 -5.57 0.04 0.00 -0.02 0.00 0.00 31.44 26.36 3mkk n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mkk h ALA 15 N 0.23 0.45 -2.56 0.62 0.00 -1.93 -3.42 119.26 112.65 3mkk h ALA 15 Ca -0.42 0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.03 3mkk h ALA 15 Cb 1.31 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 3mkk h ALA 15 CO 0.60 -0.32 -0.06 -0.51 0.00 0.00 0.00 179.25 178.96 3mkk s LEU 16 N -10.41 4.29 0.02 0.00 1.02 -1.26 -4.22 118.68 108.11 3mkk s LEU 16 Ca -0.13 1.10 0.22 0.00 0.02 0.00 0.00 54.13 55.34 3mkk s LEU 16 Cb 0.14 -3.43 -0.25 0.00 0.02 0.00 0.00 46.19 42.67 3mkk s LEU 16 CO 0.72 0.04 0.65 0.35 0.02 0.00 0.00 176.35 178.13 3mkk n THR 17 N 0.55 0.11 -3.40 5.49 -2.24 -0.39 -4.94 114.28 109.46 3mkk n THR 17 Ca -0.03 -0.45 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 3mkk n THR 17 Cb 0.52 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 3mkk n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mkk s GLU 18 N -3.43 4.26 0.21 -0.78 2.12 -0.95 -5.05 118.70 115.09 3mkk s GLU 18 Ca -0.05 0.35 -0.30 0.00 0.36 0.00 0.00 54.97 55.34 3mkk s GLU 18 Cb 0.13 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 31.04 3mkk s GLU 18 CO 0.88 0.26 1.10 0.15 -0.54 0.00 0.00 175.26 177.10 3mkk s LYS 19 N 0.33 4.62 -0.05 4.30 1.02 -1.26 -5.02 119.74 123.68 3mkk s LYS 19 Ca 0.23 1.74 0.02 0.00 0.02 0.00 0.00 55.97 57.98 3mkk s LYS 19 Cb -0.15 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3mkk s LYS 19 CO 0.09 0.13 -0.09 0.42 -0.92 0.00 0.00 175.35 174.98 3mkk s ILE 20 N -0.57 0.85 0.52 2.17 -1.09 -1.26 -5.13 121.20 116.68 3mkk s ILE 20 Ca 0.48 -0.34 -0.21 0.00 -2.23 0.00 0.00 60.65 58.35 3mkk s ILE 20 Cb -0.30 -0.79 -0.06 0.00 -1.58 0.00 0.00 42.46 39.72 3mkk s ILE 20 CO 0.37 0.28 1.17 -1.83 -1.23 0.00 0.00 174.94 173.70 3mkk s GLU 21 N 0.59 3.46 -0.03 2.79 -1.05 -1.26 -4.86 118.70 118.34 3mkk s GLU 21 Ca -0.10 1.74 -0.30 0.00 -0.15 0.00 0.00 54.97 56.16 3mkk s GLU 21 Cb -0.13 -2.17 -0.05 0.00 -0.44 0.00 0.00 34.13 31.33 3mkk s GLU 21 CO 0.02 -0.79 1.47 0.99 0.95 0.00 0.00 175.26 177.90 3mkk s THR 22 N -1.63 3.70 0.32 1.83 2.01 -1.26 -3.61 115.64 117.01 3mkk s THR 22 Ca 0.70 1.00 -0.27 0.00 0.31 0.00 0.00 61.69 63.42 3mkk s THR 22 Cb -0.27 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 3mkk s THR 22 CO 0.32 -0.04 1.06 0.00 -0.69 0.00 0.00 174.62 175.27 3mkk s ALA 23 N 3.05 3.27 -0.97 7.40 0.00 0.57 -4.95 121.76 130.12 3mkk s ALA 23 Ca 0.66 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.50 3mkk s ALA 23 Cb -0.31 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3mkk s ALA 23 CO 0.26 -0.13 0.66 0.39 0.00 0.00 0.00 175.76 176.94 3mkk n GLU 24 N 0.70 1.97 -2.07 0.00 -0.58 -1.26 -4.77 120.64 114.63 3mkk n GLU 24 Ca 0.01 -0.65 -0.28 0.00 -0.42 0.00 0.00 57.16 55.82 3mkk n GLU 24 Cb 0.47 -1.10 0.17 0.00 -0.57 0.00 0.00 31.44 30.41 3mkk n GLU 24 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3mkk s GLU 25 N -1.36 0.90 0.40 3.49 1.03 -1.26 -5.02 118.70 116.87 3mkk s GLU 25 Ca 0.09 -0.55 -0.26 0.00 0.03 0.00 0.00 54.97 54.28 3mkk s GLU 25 Cb 0.08 -1.95 -0.11 0.00 -0.80 0.00 0.00 34.13 31.35 3mkk s GLU 25 CO 0.25 -2.19 1.22 0.00 -1.33 0.00 0.00 175.26 173.21 3mkk n ALA 26 N -3.55 1.03 -1.71 -0.84 0.00 -1.26 -4.92 120.51 109.25 3mkk n ALA 26 Ca 0.15 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.44 3mkk n ALA 26 Cb 0.60 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 3mkk n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mkk n PHE 27 N -0.13 2.62 0.37 0.00 7.35 -1.26 -4.91 117.46 121.50 3mkk n PHE 27 Ca 0.07 0.16 0.12 0.00 -0.76 0.00 0.00 57.45 57.04 3mkk n PHE 27 Cb 0.38 -2.61 0.20 0.00 0.35 0.00 0.00 39.48 37.80 3mkk n PHE 27 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 3mkk h PRO 28 N 6.02 0.00 -5.10 -7.13 0.13 -2.04 -3.45 132.00 120.44 3mkk h PRO 28 Ca -0.44 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.21 3mkk h PRO 28 Cb 1.22 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.06 3mkk h PRO 28 CO 0.90 0.00 -0.81 0.71 -0.23 0.00 0.00 178.00 178.57 3mkk s TYR 29 N -3.20 1.21 0.00 1.56 2.02 -1.26 -5.10 117.35 112.58 3mkk s TYR 29 Ca 0.06 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 3mkk s TYR 29 Cb 0.09 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.85 3mkk s TYR 29 CO 0.68 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 175.02 3mkk n GLY 30 N 2.91 0.64 3.20 0.71 0.00 -1.26 -4.84 105.19 106.56 3mkk n GLY 30 Ca -0.15 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 3mkk n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mkk s GLU 31 N 0.00 1.08 -0.12 1.61 2.02 0.59 -4.99 118.70 118.89 3mkk s GLU 31 Ca 0.00 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.10 3mkk s GLU 31 Cb 0.00 -1.17 -0.00 0.00 0.10 0.00 0.00 34.13 33.05 3mkk s GLU 31 CO 0.00 0.29 -0.19 0.42 0.02 0.00 0.00 175.26 175.80 3mkk s ILE 32 N -0.95 2.51 0.01 -1.63 -1.09 -1.26 -1.19 121.20 117.60 3mkk s ILE 32 Ca 0.04 -0.85 0.08 0.00 -2.23 0.00 0.00 60.65 57.69 3mkk s ILE 32 Cb -0.09 -2.02 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 3mkk s ILE 32 CO 0.02 0.54 -0.24 -0.55 -1.23 0.00 0.00 174.94 173.48 3mkk s SER 33 N 0.47 2.89 -0.12 3.58 0.15 0.64 -5.00 113.70 116.30 3mkk s SER 33 Ca -0.13 -0.50 0.18 0.00 0.70 0.00 0.00 55.95 56.20 3mkk s SER 33 Cb -0.17 -0.29 0.28 0.00 -1.71 0.00 0.00 66.02 64.13 3mkk s SER 33 CO 0.05 0.26 1.14 0.00 1.20 0.00 0.00 173.24 175.90 3mkk n GLN 34 N 2.15 1.32 0.04 5.44 6.02 -1.26 -1.42 117.38 129.66 3mkk n GLN 34 Ca -0.16 -2.52 -0.04 0.00 -0.01 0.00 0.00 57.00 54.26 3mkk n GLN 34 Cb 0.52 -1.47 0.17 0.00 1.02 0.00 0.00 30.24 30.48 3mkk n GLN 34 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3mkk h LYS 35 N 0.00 0.40 -1.73 -1.09 3.64 -1.97 -3.36 116.57 112.45 3mkk h LYS 35 Ca 0.00 -0.19 -0.51 0.00 -1.27 0.00 0.00 60.65 58.68 3mkk h LYS 35 Cb 0.99 -0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.46 3mkk h LYS 35 CO 0.00 0.73 -1.00 -0.85 -2.27 0.00 0.00 179.45 176.07 3mkk n GLU 36 N -4.03 0.66 0.00 1.90 0.28 -1.26 -5.06 120.64 113.13 3mkk n GLU 36 Ca -0.01 -2.98 0.00 0.00 -0.16 0.00 0.00 57.16 54.01 3mkk n GLU 36 Cb 0.49 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 32.06 3mkk n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mkk n GLY 37 N 1.62 0.42 2.99 -1.84 0.00 -1.26 -4.87 105.19 102.26 3mkk n GLY 37 Ca 0.20 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 3mkk n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mkk s PHE 38 N 0.00 0.70 -0.09 1.61 5.36 -0.48 -4.23 117.98 120.85 3mkk s PHE 38 Ca 0.00 -0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 55.79 3mkk s PHE 38 Cb 0.00 -0.46 0.04 0.00 -0.34 0.00 0.00 43.02 42.26 3mkk s PHE 38 CO 0.00 -0.02 0.20 0.00 -1.46 0.00 0.00 175.22 173.94 3mkk s ALA 39 N -0.11 -0.44 -0.16 11.12 0.00 -0.51 -1.87 121.76 129.79 3mkk s ALA 39 Ca 0.02 0.85 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 3mkk s ALA 39 Cb -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3mkk s ALA 39 CO -0.00 -0.18 0.05 0.12 0.00 0.00 0.00 175.76 175.75 3mkk s PHE 40 N 1.16 3.26 -0.04 0.00 5.36 0.36 -0.26 117.98 127.81 3mkk s PHE 40 Ca -0.09 0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 3mkk s PHE 40 Cb -0.10 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 3mkk s PHE 40 CO -0.07 0.27 -0.04 0.99 -1.46 0.00 0.00 175.22 174.90 3mkk s THR 41 N -0.02 0.52 -0.01 0.12 2.01 -0.33 -0.38 115.64 117.56 3mkk s THR 41 Ca 0.06 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.94 3mkk s THR 41 Cb -0.12 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.86 3mkk s THR 41 CO 0.01 0.22 0.01 -0.47 -0.69 0.00 0.00 174.62 173.70 3mkk s TYR 42 N 0.89 0.06 -0.34 4.92 6.14 0.20 -0.30 117.35 128.93 3mkk s TYR 42 Ca -0.11 0.06 -0.17 0.00 0.64 0.00 0.00 57.07 57.49 3mkk s TYR 42 Cb -0.14 -0.17 -0.01 0.00 0.42 0.00 0.00 41.96 42.06 3mkk s TYR 42 CO 0.00 -0.06 0.47 0.42 0.64 0.00 0.00 175.55 177.02 3mkk s ILE 43 N 0.65 5.06 0.37 3.14 -1.09 -1.26 -0.91 121.20 127.15 3mkk s ILE 43 Ca -0.06 0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 58.48 3mkk s ILE 43 Cb -0.08 -3.91 -0.10 0.00 -1.58 0.00 0.00 42.46 36.79 3mkk s ILE 43 CO -0.02 -0.15 0.87 -0.04 -1.23 0.00 0.00 174.94 174.36 3mkk s MET 44 N 2.29 4.21 0.58 2.79 -1.94 0.70 -5.01 119.30 122.92 3mkk s MET 44 Ca 0.17 0.99 -0.17 0.00 -1.71 0.00 0.00 55.69 54.96 3mkk s MET 44 Cb -0.16 -2.39 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 3mkk s MET 44 CO 0.13 0.10 1.09 0.34 -0.01 0.00 0.00 175.02 176.67 3mkk s ASP 45 N -2.09 5.66 0.47 3.03 2.15 -1.26 -4.87 116.67 119.75 3mkk s ASP 45 Ca 0.57 2.01 0.18 0.00 0.43 0.00 0.00 52.55 55.74 3mkk s ASP 45 Cb -0.11 -2.56 1.12 0.00 -0.30 0.00 0.00 42.92 41.07 3mkk s ASP 45 CO 0.16 -1.26 2.01 1.05 -0.17 0.00 0.00 175.17 176.96 3mkk h GLU 46 N 0.75 0.00 -0.00 4.34 4.11 -1.97 -1.19 114.58 120.62 3mkk h GLU 46 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3mkk h GLU 46 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3mkk h GLU 46 CO 0.57 0.18 -0.18 -0.25 0.07 0.00 0.00 179.01 179.40 3mkk n ASP 47 N -4.09 0.66 -4.75 3.06 8.00 -1.26 -4.94 116.55 113.22 3mkk n ASP 47 Ca -0.02 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 3mkk n ASP 47 Cb 0.25 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 3mkk n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mkk n ASP 48 N -0.88 3.67 -4.79 -2.24 8.00 -0.45 -4.85 116.55 115.00 3mkk n ASP 48 Ca 0.13 1.20 -0.35 0.00 0.71 0.00 0.00 54.79 56.48 3mkk n ASP 48 Cb 0.31 -1.59 -0.07 0.00 -0.02 0.00 0.00 41.12 39.74 3mkk n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mkk s ILE 49 N -0.77 4.95 -0.30 0.53 1.01 0.01 -4.96 121.20 121.68 3mkk s ILE 49 Ca 0.57 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 3mkk s ILE 49 Cb -0.50 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 38.84 3mkk s ILE 49 CO 0.59 0.56 0.05 -0.69 0.00 0.00 0.00 174.94 175.45 3mkk s VAL 50 N -1.01 3.56 0.34 2.92 1.01 -1.26 -0.12 120.40 125.84 3mkk s VAL 50 Ca 0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3mkk s VAL 50 Cb -0.12 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3mkk s VAL 50 CO 0.05 0.00 0.56 -0.31 0.00 0.00 0.00 175.10 175.41 3mkk s TYR 51 N 1.40 3.50 -0.63 5.22 2.02 0.02 -0.62 117.35 128.27 3mkk s TYR 51 Ca -0.00 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 3mkk s TYR 51 Cb -0.18 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3mkk s TYR 51 CO 0.01 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 3mkk n GLY 52 N -1.66 0.30 2.52 0.71 0.00 -1.26 0.02 105.19 105.83 3mkk n GLY 52 Ca -0.04 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 3mkk n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mkk n LEU 53 N 0.00 0.43 0.00 0.99 4.77 0.69 -4.88 117.00 119.00 3mkk n LEU 53 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3mkk n LEU 53 Cb 0.00 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.49 3mkk n LEU 53 CO 0.00 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.13 3mkk n GLY 54 N -0.90 2.95 3.53 -0.72 0.00 -1.24 -3.30 105.19 105.51 3mkk n GLY 54 Ca -0.01 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3mkk n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mkk s GLU 55 N 0.00 3.23 0.28 1.61 2.12 -1.26 -4.23 118.70 120.45 3mkk s GLU 55 Ca 0.00 -0.48 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 3mkk s GLU 55 Cb 0.00 -4.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.04 3mkk s GLU 55 CO 0.00 -2.09 0.41 -1.54 -0.54 0.00 0.00 175.26 171.50 3mkk s SER 56 N 3.87 0.40 0.63 -1.70 1.04 -1.21 -4.07 113.70 112.68 3mkk s SER 56 Ca 0.34 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.40 3mkk s SER 56 Cb -0.08 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 3mkk s SER 56 CO 0.11 -1.15 1.04 0.21 0.98 0.00 0.00 173.24 174.43 3mkk s ASN 57 N -3.14 6.08 0.81 7.02 2.47 -1.26 -4.88 114.94 122.04 3mkk s ASN 57 Ca 0.29 1.41 0.00 0.00 0.42 0.00 0.00 52.86 54.99 3mkk s ASN 57 Cb 0.01 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 3mkk s ASN 57 CO 0.15 -0.96 0.00 0.54 -3.72 0.00 0.00 177.10 173.10 3mkk n ARG 58 N -2.81 0.00 -3.08 0.43 1.74 -1.26 -4.97 116.66 106.71 3mkk n ARG 58 Ca 0.06 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.96 3mkk n ARG 58 Cb 0.54 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.00 3mkk n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mkk n GLY 59 N 0.00 2.56 0.15 -0.13 0.00 -1.26 -4.81 105.19 101.71 3mkk n GLY 59 Ca 0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 3mkk n GLY 59 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mkk h ILE 60 N 0.47 1.33 -3.41 -0.61 2.04 -1.91 -3.38 117.51 112.03 3mkk h ILE 60 Ca -0.25 -1.28 -0.59 0.00 1.00 0.00 0.00 64.86 63.74 3mkk h ILE 60 Cb 0.98 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 38.72 3mkk h ILE 60 CO 0.39 0.39 0.64 0.21 0.00 0.00 0.00 178.15 179.77 3mkk s ASN 61 N -6.18 6.76 0.00 1.72 3.84 -1.26 -4.35 114.94 115.47 3mkk s ASN 61 Ca -0.14 0.77 0.29 0.00 0.21 0.00 0.00 52.86 53.99 3mkk s ASN 61 Cb 0.06 -2.48 1.24 0.00 -0.55 0.00 0.00 41.25 39.52 3mkk s ASN 61 CO 0.77 -0.81 1.88 0.29 -2.79 0.00 0.00 177.10 176.45 3mkk n LYS 62 N 6.67 0.40 -1.70 0.43 4.76 0.21 -4.89 118.16 124.04 3mkk n LYS 62 Ca 0.08 -0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 3mkk n LYS 62 Cb 0.48 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.18 3mkk n LYS 62 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3mkk n ARG 63 N -1.22 1.88 0.00 1.97 1.74 -1.26 -3.63 116.66 116.14 3mkk n ARG 63 Ca 0.12 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 3mkk n ARG 63 Cb 0.29 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 3mkk n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mkk n GLY 64 N 0.83 0.71 1.67 -0.13 0.00 0.29 -5.03 105.19 103.54 3mkk n GLY 64 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 3mkk n GLY 64 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mkk n TYR 65 N -1.79 -1.10 -5.18 1.61 9.36 -1.12 -4.61 117.16 114.31 3mkk n TYR 65 Ca 0.00 -1.07 -0.31 0.00 3.32 0.00 0.00 57.90 59.84 3mkk n TYR 65 Cb 0.00 0.31 -0.17 0.00 -0.63 0.00 0.00 39.34 38.85 3mkk n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3mkk s TYR 67 N 0.05 1.25 -0.20 0.00 2.02 0.32 -4.64 117.35 116.14 3mkk s TYR 67 Ca -0.09 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 3mkk s TYR 67 Cb -0.15 -1.00 0.02 0.00 -0.40 0.00 0.00 41.96 40.43 3mkk s TYR 67 CO 0.05 -0.32 -0.16 0.42 -1.57 0.00 0.00 175.55 173.97 3mkk s ILE 68 N 1.07 2.35 -0.53 2.71 1.01 0.89 0.11 121.20 128.81 3mkk s ILE 68 Ca -0.08 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.39 3mkk s ILE 68 Cb -0.14 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.31 3mkk s ILE 68 CO -0.01 0.46 1.11 -0.44 0.00 0.00 0.00 174.94 176.07 3mkk s SER 69 N 1.32 6.50 -0.37 3.58 0.01 0.29 -4.16 113.70 120.87 3mkk s SER 69 Ca 0.04 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 3mkk s SER 69 Cb -0.14 -2.52 0.18 0.00 0.21 0.00 0.00 66.02 63.75 3mkk s SER 69 CO -0.10 -1.32 0.84 0.21 0.41 0.00 0.00 173.24 173.27 3mkk s ASN 70 N 2.70 -0.93 -0.15 2.44 2.47 -1.26 -2.31 114.94 117.89 3mkk s ASN 70 Ca 0.42 -0.46 -0.35 0.00 0.42 0.00 0.00 52.86 52.89 3mkk s ASN 70 Cb -0.08 1.19 -0.12 0.00 -1.45 0.00 0.00 41.25 40.79 3mkk s ASN 70 CO 0.27 -0.10 1.91 0.00 -3.72 0.00 0.00 177.10 175.46 3mkk s THR 72 N 4.57 0.31 -0.82 0.00 2.01 -0.22 -4.91 115.64 116.58 3mkk s THR 72 Ca 0.96 -0.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 3mkk s THR 72 Cb -0.75 -0.34 0.05 0.00 0.01 0.00 0.00 72.50 71.47 3mkk s THR 72 CO 0.53 0.15 1.26 -0.62 -0.69 0.00 0.00 174.62 175.25 3mkk s ASP 73 N 0.68 6.29 -0.16 3.53 3.68 -1.26 -3.63 116.67 125.79 3mkk s ASP 73 Ca -0.07 -0.94 -0.02 0.00 2.13 0.00 0.00 52.55 53.65 3mkk s ASP 73 Cb -0.11 -2.53 0.05 0.00 -1.45 0.00 0.00 42.92 38.89 3mkk s ASP 73 CO -0.01 -1.62 0.01 -0.62 0.13 0.00 0.00 175.17 173.06 3mkk s ASP 74 N 4.06 2.62 -0.03 -0.34 -1.08 -1.26 -5.03 116.67 115.61 3mkk s ASP 74 Ca 0.36 -0.64 0.10 0.00 -0.52 0.00 0.00 52.55 51.84 3mkk s ASP 74 Cb -0.07 -0.63 0.33 0.00 -1.46 0.00 0.00 42.92 41.09 3mkk s ASP 74 CO 0.06 -0.26 1.22 -0.81 0.52 0.00 0.00 175.17 175.90 3mkk n PRO 75 N 5.03 2.07 -3.95 4.34 -0.04 -1.26 -4.63 135.00 136.56 3mkk n PRO 75 Ca -0.09 -1.33 -0.30 0.00 -0.04 0.00 0.00 63.50 61.74 3mkk n PRO 75 Cb 0.48 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 3mkk n PRO 75 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mkk s ILE 76 N -1.60 2.59 -1.25 0.52 -1.09 -1.26 -4.70 121.20 114.40 3mkk s ILE 76 Ca 0.24 -3.20 -0.10 0.00 -2.23 0.00 0.00 60.65 55.35 3mkk s ILE 76 Cb 0.14 -2.81 0.17 0.00 -1.58 0.00 0.00 42.46 38.39 3mkk s ILE 76 CO 0.14 -0.78 1.74 1.41 -1.23 0.00 0.00 174.94 176.22 3mkk n HIS 77 N 3.25 3.48 -3.10 3.97 8.25 -1.26 -4.90 115.22 124.90 3mkk n HIS 77 Ca 0.05 -2.94 -0.20 0.00 -0.26 0.00 0.00 57.72 54.37 3mkk n HIS 77 Cb 0.33 -1.99 0.01 0.00 1.12 0.00 0.00 29.99 29.46 3mkk n HIS 77 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3mkk s THR 78 N 0.59 3.51 0.35 1.59 -4.23 -1.26 -5.01 115.64 111.18 3mkk s THR 78 Ca 0.40 -0.84 0.28 0.00 -1.18 0.00 0.00 61.69 60.35 3mkk s THR 78 Cb 0.06 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.96 3mkk s THR 78 CO 0.01 -0.12 2.04 -0.33 -0.54 0.00 0.00 174.62 175.67 3mkk h GLU 79 N 0.58 0.00 0.00 3.99 5.08 -2.04 -1.69 114.58 120.50 3mkk h GLU 79 Ca -0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 3mkk h GLU 79 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3mkk h GLU 79 CO 0.51 0.12 -0.16 0.38 -1.00 0.00 0.00 179.01 178.87 3mkk h ASP 80 N 0.00 0.00 -3.51 1.42 2.03 -1.97 -3.47 116.42 110.93 3mkk h ASP 80 Ca -0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 3mkk h ASP 80 Cb 0.41 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 38.97 3mkk h ASP 80 CO 0.02 0.16 0.76 -0.54 -1.03 0.00 0.00 179.24 178.60 3mkk s LYS 81 N -3.54 4.25 -0.02 4.15 -0.14 -0.64 -4.91 119.74 118.88 3mkk s LYS 81 Ca 0.02 2.35 0.19 0.00 -1.36 0.00 0.00 55.97 57.17 3mkk s LYS 81 Cb 0.09 -3.08 -0.28 0.00 -1.68 0.00 0.00 37.83 32.88 3mkk s LYS 81 CO 0.62 -0.42 0.49 0.54 -0.76 0.00 0.00 175.35 175.82 3mkk n ARG 82 N 1.88 0.63 -3.77 1.68 1.74 -1.26 -4.80 116.66 112.75 3mkk n ARG 82 Ca 0.05 -0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 56.78 3mkk n ARG 82 Cb 0.40 -1.44 -0.17 0.00 -1.02 0.00 0.00 32.46 30.22 3mkk n ARG 82 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3mkk s SER 83 N -3.94 1.24 0.00 0.55 0.01 -1.26 -0.08 113.70 110.22 3mkk s SER 83 Ca -0.04 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.19 3mkk s SER 83 Cb 0.13 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.05 3mkk s SER 83 CO 0.79 -0.19 0.00 0.18 0.41 0.00 0.00 173.24 174.43 3mkk n LEU 84 N 5.00 0.00 0.15 2.44 4.77 -1.26 -4.72 117.00 123.37 3mkk n LEU 84 Ca -0.09 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.91 3mkk n LEU 84 Cb 0.50 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.71 3mkk n LEU 84 CO 0.11 0.00 0.50 1.88 -1.33 0.00 0.00 177.39 178.55 3mkk h TYR 85 N 0.00 0.00 -2.87 -1.77 0.05 -1.87 -0.57 116.97 109.94 3mkk h TYR 85 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 3mkk h TYR 85 Cb 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 3mkk h TYR 85 CO 0.00 0.53 -0.33 0.20 -1.05 0.00 0.00 178.16 177.51 3mkk s GLY 86 N -4.46 2.32 -0.50 3.88 0.00 -1.26 -3.41 107.32 103.90 3mkk s GLY 86 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.34 3mkk s GLY 86 CO 0.73 -0.14 0.26 0.00 0.00 0.00 0.00 173.10 173.95 3mkk s ALA 87 N -1.12 2.95 -0.54 3.20 0.00 -0.56 -4.51 121.76 121.19 3mkk s ALA 87 Ca 0.22 -3.07 0.04 0.00 0.00 0.00 0.00 51.96 49.15 3mkk s ALA 87 Cb -0.14 -2.07 0.13 0.00 0.00 0.00 0.00 23.12 21.04 3mkk s ALA 87 CO 0.11 -2.03 0.28 -1.01 0.00 0.00 0.00 175.76 173.11 3mkk s HIS 88 N -0.11 3.19 -0.14 0.00 3.76 -1.26 -3.64 115.29 117.08 3mkk s HIS 88 Ca 0.17 -3.18 -0.00 0.00 -0.15 0.00 0.00 55.06 51.90 3mkk s HIS 88 Cb -0.25 -2.79 0.09 0.00 1.11 0.00 0.00 32.58 30.74 3mkk s HIS 88 CO -0.00 -0.72 2.01 0.09 -0.85 0.00 0.00 174.74 175.27 3mkk n ASN 89 N 3.00 5.85 -4.17 1.40 5.03 -1.26 -3.87 115.26 121.23 3mkk n ASN 89 Ca 0.06 -2.70 -0.32 0.00 0.87 0.00 0.00 54.58 52.49 3mkk n ASN 89 Cb 0.32 -1.10 -0.17 0.00 -1.02 0.00 0.00 39.78 37.82 3mkk n ASN 89 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3mkk s PHE 90 N -0.80 2.65 0.10 3.10 5.36 -1.26 -0.87 117.98 126.25 3mkk s PHE 90 Ca 0.14 -1.31 0.04 0.00 -0.96 0.00 0.00 56.93 54.84 3mkk s PHE 90 Cb 0.11 -1.80 -0.04 0.00 -0.34 0.00 0.00 43.02 40.96 3mkk s PHE 90 CO -0.00 -0.59 -0.12 0.96 -1.46 0.00 0.00 175.22 174.01 3mkk s ILE 91 N 0.77 1.06 -0.13 3.12 -4.36 -0.65 -0.22 121.20 120.78 3mkk s ILE 91 Ca -0.08 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 3mkk s ILE 91 Cb -0.16 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.23 3mkk s ILE 91 CO -0.01 -0.47 -0.13 -0.63 0.24 0.00 0.00 174.94 173.94 3mkk s ILE 92 N -2.17 1.43 -0.17 8.37 1.09 0.10 -1.30 121.20 128.56 3mkk s ILE 92 Ca 0.05 -0.57 -0.27 0.00 -1.10 0.00 0.00 60.65 58.76 3mkk s ILE 92 Cb -0.05 -1.35 -0.01 0.00 -1.06 0.00 0.00 42.46 40.00 3mkk s ILE 92 CO 0.01 0.43 0.94 -0.69 -0.10 0.00 0.00 174.94 175.53 3mkk s VAL 93 N 1.35 4.80 -0.18 2.92 1.01 -0.28 -0.80 120.40 129.21 3mkk s VAL 93 Ca 0.01 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3mkk s VAL 93 Cb -0.13 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.05 3mkk s VAL 93 CO -0.07 -0.03 -0.07 -0.55 0.00 0.00 0.00 175.10 174.37 3mkk s SER 94 N 1.16 3.07 0.00 3.32 0.15 0.83 -1.77 113.70 120.45 3mkk s SER 94 Ca 0.43 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.32 3mkk s SER 94 Cb -0.17 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 3mkk s SER 94 CO 0.12 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.00 3mkk n GLY 95 N 4.80 0.98 0.36 9.45 0.00 -1.26 -0.81 105.19 118.70 3mkk n GLY 95 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3mkk n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mkk h LYS 96 N 0.00 1.08 -5.21 1.61 1.57 -1.97 -3.37 116.57 110.29 3mkk h LYS 96 Ca 0.00 -0.06 -0.66 0.00 -1.87 0.00 0.00 60.65 58.05 3mkk h LYS 96 Cb 0.00 -0.24 -0.29 0.00 0.08 0.00 0.00 32.23 31.78 3mkk h LYS 96 CO 0.00 0.71 -0.79 0.99 -0.57 0.00 0.00 179.45 179.80 3mkk s THR 97 N -5.93 2.84 -0.05 -0.16 2.01 -1.26 -5.12 115.64 107.97 3mkk s THR 97 Ca -0.12 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.20 3mkk s THR 97 Cb 0.18 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.49 3mkk s THR 97 CO 0.79 0.51 -0.13 -0.89 -0.69 0.00 0.00 174.62 174.21 3mkk s THR 98 N 0.76 1.17 -0.08 -0.82 2.01 -1.26 -4.41 115.64 113.02 3mkk s THR 98 Ca -0.06 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 3mkk s THR 98 Cb -0.15 -1.04 0.10 0.00 0.01 0.00 0.00 72.50 71.42 3mkk s THR 98 CO 0.01 0.35 0.87 0.72 -0.69 0.00 0.00 174.62 175.89 3mkk s PHE 99 N 0.37 -0.44 0.12 4.92 -0.12 -0.73 -4.59 117.98 117.50 3mkk s PHE 99 Ca -0.09 0.63 0.05 0.00 -0.05 0.00 0.00 56.93 57.47 3mkk s PHE 99 Cb -0.13 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 3mkk s PHE 99 CO 0.03 -0.49 0.03 0.20 -0.05 0.00 0.00 175.22 174.94 3mkk s GLY 100 N -1.57 1.86 -0.05 1.99 0.00 0.52 -1.13 107.32 108.94 3mkk s GLY 100 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3mkk s GLY 100 CO 0.00 -1.17 -0.03 1.08 0.00 0.00 0.00 173.10 172.98 3mkk s LEU 101 N -2.58 1.10 -0.19 0.66 1.43 -0.42 -0.60 118.68 118.09 3mkk s LEU 101 Ca 0.27 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3mkk s LEU 101 Cb -0.11 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 3mkk s LEU 101 CO 0.19 -0.10 -0.02 0.12 0.23 0.00 0.00 176.35 176.78 3mkk s PHE 102 N 1.26 3.02 -0.52 0.29 5.36 -0.37 -1.64 117.98 125.38 3mkk s PHE 102 Ca -0.06 -0.50 -0.15 0.00 -0.96 0.00 0.00 56.93 55.26 3mkk s PHE 102 Cb -0.14 -2.06 0.12 0.00 -0.34 0.00 0.00 43.02 40.60 3mkk s PHE 102 CO -0.02 -0.25 0.46 -0.06 -1.46 0.00 0.00 175.22 173.90 3mkk s PHE 103 N 0.94 3.26 -0.72 10.12 0.08 -0.05 -1.19 117.98 130.42 3mkk s PHE 103 Ca 0.01 -1.26 -0.21 0.00 0.12 0.00 0.00 56.93 55.60 3mkk s PHE 103 Cb -0.14 -3.63 0.10 0.00 -0.57 0.00 0.00 43.02 38.77 3mkk s PHE 103 CO 0.02 -0.97 0.95 0.34 -0.10 0.00 0.00 175.22 175.46 3mkk s ASP 104 N 3.30 6.31 -0.25 1.36 2.15 0.18 -4.70 116.67 125.02 3mkk s ASP 104 Ca 0.03 -1.41 -0.15 0.00 0.43 0.00 0.00 52.55 51.45 3mkk s ASP 104 Cb -0.28 -2.38 0.07 0.00 -0.30 0.00 0.00 42.92 40.03 3mkk s ASP 104 CO 0.04 -1.25 0.62 -0.47 -0.17 0.00 0.00 175.17 173.93 3mkk s TYR 105 N 3.31 -0.93 -2.44 -5.34 5.04 -1.26 -2.52 117.35 113.21 3mkk s TYR 105 Ca 0.23 1.90 0.26 0.00 -2.44 0.00 0.00 57.07 57.01 3mkk s TYR 105 Cb -0.15 0.52 0.65 0.00 0.35 0.00 0.00 41.96 43.33 3mkk s TYR 105 CO 0.03 -0.47 1.51 -0.35 -1.34 0.00 0.00 175.55 174.94 3mkk n PRO 106 N 4.18 1.64 -1.45 4.97 -0.04 -1.26 -4.96 135.00 138.07 3mkk n PRO 106 Ca -0.20 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 3mkk n PRO 106 Cb 0.58 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3mkk n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mkk n SER 107 N 0.31 1.71 -4.63 3.54 2.88 -1.26 -1.53 113.62 114.64 3mkk n SER 107 Ca 0.15 -0.78 -0.44 0.00 -1.33 0.00 0.00 58.87 56.47 3mkk n SER 107 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 3mkk n SER 107 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3mkk n LYS 108 N -0.11 2.37 -4.03 -1.46 4.81 -1.26 -4.85 118.16 113.62 3mkk n LYS 108 Ca 0.00 0.80 -0.31 0.00 -0.87 0.00 0.00 58.31 57.94 3mkk n LYS 108 Cb 0.00 -2.99 -0.16 0.00 0.02 0.00 0.00 35.03 31.90 3mkk n LYS 108 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3mkk s LEU 109 N 5.77 1.76 -0.31 3.14 2.96 -0.98 -4.54 118.68 126.49 3mkk s LEU 109 Ca 0.95 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 54.19 3mkk s LEU 109 Cb -0.47 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3mkk s LEU 109 CO 0.42 -0.05 0.38 -0.89 -1.32 0.00 0.00 176.35 174.89 3mkk s THR 110 N 1.46 5.16 -0.59 3.68 2.01 0.71 -0.54 115.64 127.52 3mkk s THR 110 Ca 0.05 0.31 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 3mkk s THR 110 Cb -0.13 -3.77 0.14 0.00 0.01 0.00 0.00 72.50 68.75 3mkk s THR 110 CO -0.11 0.01 0.57 -0.36 -0.69 0.00 0.00 174.62 174.04 3mkk s PHE 111 N 2.08 3.29 -0.78 4.92 0.08 0.12 -0.65 117.98 127.04 3mkk s PHE 111 Ca 0.14 -1.35 -0.20 0.00 0.12 0.00 0.00 56.93 55.64 3mkk s PHE 111 Cb -0.16 -3.83 0.11 0.00 -0.57 0.00 0.00 43.02 38.57 3mkk s PHE 111 CO 0.11 -1.05 0.98 0.34 -0.10 0.00 0.00 175.22 175.50 3mkk s ASP 112 N 3.40 6.41 -0.96 1.36 -1.08 0.86 -0.53 116.67 126.13 3mkk s ASP 112 Ca 0.06 -1.64 -0.02 0.00 -0.52 0.00 0.00 52.55 50.43 3mkk s ASP 112 Cb -0.26 -2.38 0.27 0.00 -1.46 0.00 0.00 42.92 39.09 3mkk s ASP 112 CO 0.02 -1.17 1.11 -0.38 0.52 0.00 0.00 175.17 175.27 3mkk n ILE 113 N 5.56 4.06 -1.00 4.11 5.41 -0.54 -0.52 119.36 136.45 3mkk n ILE 113 Ca 0.09 -5.50 0.00 0.00 1.00 0.00 0.00 62.75 58.33 3mkk n ILE 113 Cb 0.47 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 3mkk n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mkk n GLY 114 N 1.71 0.59 0.26 7.39 0.00 -0.26 -0.54 105.19 114.33 3mkk n GLY 114 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 3mkk n GLY 114 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3mkk h TYR 115 N 0.00 -0.54 0.32 1.61 3.20 -1.80 -3.32 116.97 116.45 3mkk h TYR 115 Ca 0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3mkk h TYR 115 Cb 0.00 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3mkk h TYR 115 CO 0.00 -0.22 -0.15 1.15 -1.64 0.00 0.00 178.16 177.30 3mkk h THR 116 N -0.84 0.64 -3.70 1.81 2.02 -1.89 -3.44 112.91 107.51 3mkk h THR 116 Ca -0.06 -0.63 -0.49 0.00 0.77 0.00 0.00 66.41 66.00 3mkk h THR 116 Cb 0.56 0.94 -0.32 0.00 -1.74 0.00 0.00 68.15 67.59 3mkk h THR 116 CO 0.10 0.11 -0.81 -0.13 0.37 0.00 0.00 175.52 175.16 3mkk s ARG 117 N -4.50 1.39 0.43 6.66 0.52 -1.26 -5.04 118.95 117.15 3mkk s ARG 117 Ca -0.14 -0.41 0.17 0.00 -0.52 0.00 0.00 55.73 54.83 3mkk s ARG 117 Cb 0.02 -1.22 1.08 0.00 0.52 0.00 0.00 34.95 35.35 3mkk s ARG 117 CO 0.52 0.11 1.92 0.52 0.02 0.00 0.00 175.30 178.39 3mkk h MET 118 N 6.57 0.37 -0.01 3.54 2.86 -1.86 -1.08 114.93 125.32 3mkk h MET 118 Ca -0.33 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3mkk h MET 118 Cb 1.18 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3mkk h MET 118 CO 0.48 0.25 -0.04 -0.40 1.06 0.00 0.00 176.91 178.26 3mkk n ASP 119 N -4.47 1.30 -4.31 1.22 5.68 -1.26 -4.52 116.55 110.18 3mkk n ASP 119 Ca 0.15 -1.35 -0.34 0.00 -0.50 0.00 0.00 54.79 52.74 3mkk n ASP 119 Cb 0.56 0.02 -0.14 0.00 -1.14 0.00 0.00 41.12 40.41 3mkk n ASP 119 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3mkk s THR 120 N -2.09 3.10 -0.26 2.12 2.01 -0.41 -0.21 115.64 119.90 3mkk s THR 120 Ca 0.36 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 3mkk s THR 120 Cb 0.21 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 3mkk s THR 120 CO 0.37 0.48 0.16 -0.22 -0.69 0.00 0.00 174.62 174.72 3mkk s LEU 121 N 1.03 3.98 -0.07 4.42 2.96 -0.09 -1.10 118.68 129.82 3mkk s LEU 121 Ca -0.00 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3mkk s LEU 121 Cb -0.15 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.48 3mkk s LEU 121 CO -0.01 -0.01 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.20 3mkk s LYS 122 N 1.50 1.11 -0.14 1.98 2.20 0.33 -0.63 119.74 126.08 3mkk s LYS 122 Ca 0.07 -0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 3mkk s LYS 122 Cb -0.15 -1.12 0.01 0.00 -1.51 0.00 0.00 37.83 35.07 3mkk s LYS 122 CO 0.08 -0.12 -0.19 0.08 -0.36 0.00 0.00 175.35 174.83 3mkk s VAL 123 N 1.17 1.90 0.06 4.02 1.01 0.49 -0.10 120.40 128.94 3mkk s VAL 123 Ca -0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3mkk s VAL 123 Cb -0.14 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3mkk s VAL 123 CO -0.01 0.52 0.10 -0.94 0.00 0.00 0.00 175.10 174.76 3mkk s SER 124 N 1.00 0.23 0.24 3.32 1.04 0.18 -0.49 113.70 119.22 3mkk s SER 124 Ca -0.04 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.53 3mkk s SER 124 Cb -0.15 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.25 3mkk s SER 124 CO -0.05 -0.61 0.57 0.00 0.98 0.00 0.00 173.24 174.14 3mkk h GLU 126 N 2.15 0.00 -4.28 0.00 5.08 -1.86 -1.27 114.58 114.39 3mkk h GLU 126 Ca -0.25 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.63 3mkk h GLU 126 Cb 1.26 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.16 3mkk h GLU 126 CO 0.32 0.30 -0.80 -0.80 -1.00 0.00 0.00 179.01 177.03 3mkk s ASN 127 N -6.32 1.54 -1.50 1.42 -0.87 -1.26 -4.15 114.94 103.79 3mkk s ASN 127 Ca 0.04 -0.23 -0.11 0.00 -1.57 0.00 0.00 52.86 50.99 3mkk s ASN 127 Cb 0.07 -0.68 0.00 0.00 -0.02 0.00 0.00 41.25 40.62 3mkk s ASN 127 CO 0.70 -0.03 2.55 0.00 -2.57 0.00 0.00 177.10 177.76 3mkk n ALA 128 N 4.12 6.63 -3.64 0.60 0.00 -1.26 -4.67 120.51 122.28 3mkk n ALA 128 Ca -0.21 -3.79 -0.29 0.00 0.00 0.00 0.00 53.44 49.15 3mkk n ALA 128 Cb 0.51 -3.32 -0.12 0.00 0.00 0.00 0.00 19.45 16.52 3mkk n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mkk s ASP 129 N 2.14 3.31 -0.01 0.00 1.01 -1.26 -2.65 116.67 119.21 3mkk s ASP 129 Ca 0.58 -2.74 -0.29 0.00 0.71 0.00 0.00 52.55 50.81 3mkk s ASP 129 Cb 0.16 -0.89 0.10 0.00 1.01 0.00 0.00 42.92 43.30 3mkk s ASP 129 CO -0.07 -0.24 0.91 -1.48 0.21 0.00 0.00 175.17 174.50 3mkk s LEU 130 N 0.26 -0.35 -0.10 1.23 2.34 -0.72 -4.53 118.68 116.81 3mkk s LEU 130 Ca 0.21 -0.00 -0.01 0.00 0.06 0.00 0.00 54.13 54.38 3mkk s LEU 130 Cb -0.18 1.99 -0.03 0.00 -0.56 0.00 0.00 46.19 47.41 3mkk s LEU 130 CO -0.04 -0.60 -0.04 -1.81 -1.06 0.00 0.00 176.35 172.79 3mkk s ASP 131 N -2.47 4.85 -0.20 1.48 1.01 -1.05 -0.44 116.67 119.85 3mkk s ASP 131 Ca 0.05 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.28 3mkk s ASP 131 Cb -0.01 -1.44 -0.00 0.00 1.01 0.00 0.00 42.92 42.48 3mkk s ASP 131 CO -0.09 0.31 -0.09 -0.63 0.21 0.00 0.00 175.17 174.88 3mkk s ILE 132 N -0.46 3.02 -0.18 0.77 1.01 0.70 -0.65 121.20 125.41 3mkk s ILE 132 Ca 0.07 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 3mkk s ILE 132 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3mkk s ILE 132 CO 0.02 0.47 0.31 -0.31 0.00 0.00 0.00 174.94 175.43 3mkk s TYR 133 N 1.26 3.42 -0.25 3.97 2.02 -0.33 -0.57 117.35 126.87 3mkk s TYR 133 Ca 0.03 0.56 -0.06 0.00 -0.37 0.00 0.00 57.07 57.23 3mkk s TYR 133 Cb -0.14 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 3mkk s TYR 133 CO -0.04 0.14 0.04 0.08 -1.57 0.00 0.00 175.55 174.21 3mkk s VAL 134 N 0.78 4.05 -0.19 0.71 1.01 -0.43 -1.23 120.40 125.11 3mkk s VAL 134 Ca 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3mkk s VAL 134 Cb -0.14 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3mkk s VAL 134 CO 0.05 0.34 -0.07 -0.63 0.00 0.00 0.00 175.10 174.79 3mkk s ILE 135 N 1.57 3.28 0.07 2.22 1.01 0.23 -1.72 121.20 127.87 3mkk s ILE 135 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3mkk s ILE 135 Cb -0.15 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 3mkk s ILE 135 CO 0.02 0.46 0.22 -1.61 0.00 0.00 0.00 174.94 174.03 3mkk s GLU 136 N 1.05 3.43 0.04 2.79 0.41 0.34 -0.35 118.70 126.41 3mkk s GLU 136 Ca 0.00 -0.47 -0.28 0.00 -0.41 0.00 0.00 54.97 53.82 3mkk s GLU 136 Cb -0.15 -3.02 0.10 0.00 -1.78 0.00 0.00 34.13 29.28 3mkk s GLU 136 CO -0.01 0.60 1.20 0.20 -0.49 0.00 0.00 175.26 176.75 3mkk s GLY 137 N -2.61 -0.22 0.24 -1.39 0.00 -1.26 -4.74 107.32 97.34 3mkk s GLY 137 Ca 0.35 0.26 -0.01 0.00 0.00 0.00 0.00 44.72 45.32 3mkk s GLY 137 CO 0.28 1.92 1.64 0.83 0.00 0.00 0.00 173.10 177.77 3mkk h GLU 138 N 2.00 0.58 -3.81 2.90 5.08 -1.95 -3.47 114.58 115.92 3mkk h GLU 138 Ca -0.27 -0.26 -0.20 0.00 -1.00 0.00 0.00 59.36 57.63 3mkk h GLU 138 Cb 1.20 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 3mkk h GLU 138 CO 0.30 0.83 -0.06 0.54 -1.00 0.00 0.00 179.01 179.61 3mkk s ASN 139 N -6.82 0.67 0.17 1.42 2.20 -1.26 -4.99 114.94 106.33 3mkk s ASN 139 Ca -0.08 -1.39 -0.09 0.00 -0.94 0.00 0.00 52.86 50.36 3mkk s ASN 139 Cb 0.13 0.71 0.03 0.00 -2.00 0.00 0.00 41.25 40.12 3mkk s ASN 139 CO 0.82 -1.40 1.55 0.00 -2.94 0.00 0.00 177.10 175.13 3mkk h ALA 140 N 2.08 0.70 -0.81 3.54 0.00 -1.93 -2.38 119.26 120.46 3mkk h ALA 140 Ca -0.29 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.24 3mkk h ALA 140 Cb 1.24 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3mkk h ALA 140 CO 0.39 0.67 0.53 -0.92 0.00 0.00 0.00 179.25 179.92 3mkk h TYR 141 N 0.83 1.00 -0.67 0.00 3.20 -1.93 -1.16 116.97 118.24 3mkk h TYR 141 Ca 0.11 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 3mkk h TYR 141 Cb 0.81 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3mkk h TYR 141 CO 0.05 0.61 0.12 -0.44 -1.64 0.00 0.00 178.16 176.86 3mkk h ASP 142 N 1.06 1.06 -0.60 -2.11 3.32 -1.90 -2.03 116.42 115.23 3mkk h ASP 142 Ca 0.31 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3mkk h ASP 142 Cb -0.08 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 3mkk h ASP 142 CO -0.08 1.05 0.21 0.40 -1.72 0.00 0.00 179.24 179.09 3mkk h ILE 143 N 1.03 1.24 -0.73 0.35 2.04 -1.08 -2.52 117.51 117.84 3mkk h ILE 143 Ca 0.21 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 3mkk h ILE 143 Cb 0.43 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3mkk h ILE 143 CO 0.01 0.30 0.27 0.58 0.00 0.00 0.00 178.15 179.31 3mkk h VAL 144 N 0.84 1.26 -0.66 1.67 2.07 -0.89 -1.56 116.25 118.98 3mkk h VAL 144 Ca 0.20 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 3mkk h VAL 144 Cb 0.25 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3mkk h VAL 144 CO -0.01 0.34 0.14 0.11 0.02 0.00 0.00 177.57 178.17 3mkk h LYS 145 N 1.07 1.06 -0.77 1.57 1.57 -1.29 0.11 116.57 119.89 3mkk h LYS 145 Ca 0.24 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3mkk h LYS 145 Cb 0.25 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3mkk h LYS 145 CO -0.01 0.95 0.33 1.96 -0.57 0.00 0.00 179.45 182.10 3mkk h GLN 146 N 1.00 1.13 -0.33 3.15 4.20 -1.24 -1.77 115.11 121.26 3mkk h GLN 146 Ca 0.21 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3mkk h GLN 146 Cb 0.38 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3mkk h GLN 146 CO 0.00 0.91 0.07 0.35 -0.67 0.00 0.00 178.83 179.49 3mkk h PHE 147 N 1.10 0.57 -0.84 2.96 3.57 -0.74 -2.73 116.94 120.83 3mkk h PHE 147 Ca 0.26 -0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.81 3mkk h PHE 147 Cb 0.18 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.67 3mkk h PHE 147 CO 0.02 0.60 0.46 0.00 -2.23 0.00 0.00 178.31 177.15 3mkk h ARG 148 N 0.38 0.68 0.08 1.11 2.47 -0.65 -1.92 114.38 116.53 3mkk h ARG 148 Ca 0.10 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3mkk h ARG 148 Cb 0.33 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 3mkk h ARG 148 CO 0.00 0.45 -0.15 -0.09 0.56 0.00 0.00 179.97 180.74 3mkk h ARG 149 N 0.70 -0.29 0.00 0.04 2.43 -1.16 -3.12 114.38 112.98 3mkk h ARG 149 Ca 0.44 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3mkk h ARG 149 Cb 0.53 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3mkk h ARG 149 CO -0.31 -0.19 0.00 -0.39 -1.51 0.00 0.00 179.97 177.57 3mkk h VAL 150 N -0.30 0.00 -0.00 0.20 -1.51 -1.06 -2.87 116.25 110.71 3mkk h VAL 150 Ca 0.03 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3mkk h VAL 150 Cb 0.32 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3mkk h VAL 150 CO -0.10 0.00 -0.46 2.30 -1.23 0.00 0.00 177.57 178.09 3mkk n ILE 151 N -2.62 0.00 0.00 7.19 -5.35 -0.87 -1.26 119.36 116.45 3mkk n ILE 151 Ca 0.03 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 3mkk n ILE 151 Cb 0.37 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 3mkk n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mkk n GLY 152 N 1.44 0.28 3.71 3.28 0.00 -1.08 -4.30 105.19 108.51 3mkk n GLY 152 Ca 0.08 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3mkk n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mkk n ARG 153 N 0.46 2.40 -1.98 1.61 0.63 -1.26 -4.86 116.66 113.65 3mkk n ARG 153 Ca 0.00 0.85 -0.38 0.00 -0.92 0.00 0.00 57.85 57.40 3mkk n ARG 153 Cb 0.00 -2.59 0.02 0.00 0.45 0.00 0.00 32.46 30.34 3mkk n ARG 153 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3mkk s SER 154 N 0.48 5.73 0.14 6.15 0.01 -1.26 -4.38 113.70 120.57 3mkk s SER 154 Ca 0.67 2.61 -0.32 0.00 1.31 0.00 0.00 55.95 60.21 3mkk s SER 154 Cb -0.57 -2.63 -0.18 0.00 0.21 0.00 0.00 66.02 62.86 3mkk s SER 154 CO 0.47 -1.24 0.82 0.00 0.41 0.00 0.00 173.24 173.70 3mkk n TYR 155 N -0.66 0.25 -4.11 2.43 9.36 0.16 -4.90 117.16 119.69 3mkk n TYR 155 Ca 0.08 0.93 -0.31 0.00 3.32 0.00 0.00 57.90 61.93 3mkk n TYR 155 Cb 0.46 -2.07 -0.16 0.00 -0.63 0.00 0.00 39.34 36.93 3mkk n TYR 155 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3mkk s ILE 156 N -0.57 1.71 0.64 2.97 1.01 -1.26 -4.72 121.20 120.99 3mkk s ILE 156 Ca 0.73 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 3mkk s ILE 156 Cb -1.01 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 3mkk s ILE 156 CO 0.56 0.48 1.01 -2.16 0.00 0.00 0.00 174.94 174.83 3mkk s PRO 157 N 1.37 3.09 0.70 2.79 0.04 -1.26 -4.78 135.00 136.95 3mkk s PRO 157 Ca 0.04 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 61.32 3mkk s PRO 157 Cb -0.13 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.30 3mkk s PRO 157 CO -0.10 -0.78 1.12 -1.25 0.04 0.00 0.00 177.00 176.02 3mkk s PRO 158 N -5.18 2.55 0.40 0.56 0.04 -1.26 -4.94 135.00 127.17 3mkk s PRO 158 Ca 0.55 1.38 0.13 0.00 0.04 0.00 0.00 61.00 63.10 3mkk s PRO 158 Cb -0.11 -1.92 0.82 0.00 0.04 0.00 0.00 34.50 33.34 3mkk s PRO 158 CO 0.50 -1.45 1.90 -0.22 0.04 0.00 0.00 177.00 177.77 3mkk h LYS 159 N -0.34 0.05 -0.10 4.56 3.64 -1.35 -1.68 116.57 121.34 3mkk h LYS 159 Ca -0.46 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 3mkk h LYS 159 Cb 1.25 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3mkk h LYS 159 CO 0.53 0.31 0.15 0.27 -2.27 0.00 0.00 179.45 178.44 3mkk h PHE 160 N 0.04 0.00 0.00 1.91 -5.15 -1.92 -0.49 116.94 111.33 3mkk h PHE 160 Ca 0.01 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 3mkk h PHE 160 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 3mkk h PHE 160 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 3mkk n ALA 161 N -2.23 2.34 0.65 12.09 0.00 -0.63 -1.49 120.51 131.24 3mkk n ALA 161 Ca -0.00 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.40 3mkk n ALA 161 Cb 0.25 -1.40 0.28 0.00 0.00 0.00 0.00 19.45 18.57 3mkk n ALA 161 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3mkk n PHE 162 N -1.14 0.44 -0.95 0.00 3.72 -0.19 -4.68 117.46 114.66 3mkk n PHE 162 Ca 0.15 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3mkk n PHE 162 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3mkk n PHE 162 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mkk n GLY 163 N 1.33 -1.00 3.85 1.37 0.00 -0.55 -4.91 105.19 105.28 3mkk n GLY 163 Ca 0.18 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 3mkk n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mkk s PHE 164 N -0.83 3.66 0.11 1.61 5.36 -1.26 -4.46 117.98 122.17 3mkk s PHE 164 Ca 0.00 0.93 0.07 0.00 -0.96 0.00 0.00 56.93 56.97 3mkk s PHE 164 Cb 0.00 -2.25 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 3mkk s PHE 164 CO 0.00 0.57 -0.18 0.20 -1.46 0.00 0.00 175.22 174.35 3mkk s GLY 165 N -1.42 1.17 -0.04 13.12 0.00 -0.38 -1.21 107.32 118.56 3mkk s GLY 165 Ca 0.29 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3mkk s GLY 165 CO 0.16 -1.28 -0.09 1.62 0.00 0.00 0.00 173.10 173.51 3mkk s GLN 166 N -2.15 1.17 0.10 2.90 2.00 -0.47 -1.78 119.66 121.42 3mkk s GLN 166 Ca 0.07 -0.30 -0.12 0.00 -2.00 0.00 0.00 55.36 53.01 3mkk s GLN 166 Cb -0.08 -1.05 0.01 0.00 0.80 0.00 0.00 33.01 32.69 3mkk s GLN 166 CO 0.04 0.04 0.27 -1.54 -0.50 0.00 0.00 175.29 173.61 3mkk s SER 167 N 0.50 -0.02 -0.21 6.67 1.04 0.15 -0.74 113.70 121.09 3mkk s SER 167 Ca -0.09 -0.49 -0.18 0.00 0.48 0.00 0.00 55.95 55.67 3mkk s SER 167 Cb -0.12 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.44 3mkk s SER 167 CO 0.01 -0.76 0.56 -0.60 0.98 0.00 0.00 173.24 173.44 3mkk s ARG 168 N -3.69 0.63 -0.54 4.02 3.52 -1.26 -3.23 118.95 118.40 3mkk s ARG 168 Ca 0.03 0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 56.19 3mkk s ARG 168 Cb 0.03 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.67 3mkk s ARG 168 CO -0.10 -0.10 1.82 -0.46 -0.81 0.00 0.00 175.30 175.65 3mkk s TRP 169 N 0.57 1.74 0.00 5.12 -0.00 -0.22 -3.03 118.94 123.12 3mkk s TRP 169 Ca -0.02 0.74 0.00 0.00 -0.00 0.00 0.00 56.10 56.82 3mkk s TRP 169 Cb -0.05 -4.11 0.00 0.00 -0.00 0.00 0.00 33.47 29.31 3mkk s TRP 169 CO -0.03 -2.42 0.00 0.41 -0.00 0.00 0.00 176.95 174.91 3mkk n GLY 170 N 5.60 0.94 3.67 5.86 0.00 -1.26 -3.40 105.19 116.59 3mkk n GLY 170 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3mkk n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mkk s TYR 171 N 0.00 1.78 0.07 1.61 2.02 -1.17 -4.80 117.35 116.87 3mkk s TYR 171 Ca 0.00 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3mkk s TYR 171 Cb 0.00 -4.12 0.00 0.00 -0.40 0.00 0.00 41.96 37.44 3mkk s TYR 171 CO 0.00 -4.82 0.00 2.41 -1.57 0.00 0.00 175.55 171.57 3mkk n THR 172 N 5.23 0.31 -2.90 -0.71 -1.04 -1.26 -4.57 114.28 109.33 3mkk n THR 172 Ca 0.18 0.10 -0.20 0.00 -2.04 0.00 0.00 64.05 62.10 3mkk n THR 172 Cb 0.41 -1.15 0.02 0.00 -1.82 0.00 0.00 70.33 67.78 3mkk n THR 172 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3mkk s THR 173 N -2.00 3.15 0.26 12.58 -4.23 -1.26 -4.73 115.64 119.40 3mkk s THR 173 Ca 0.00 -0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 3mkk s THR 173 Cb 0.00 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 70.96 3mkk s THR 173 CO 0.00 -0.07 1.87 0.11 -0.54 0.00 0.00 174.62 175.99 3mkk h LYS 174 N 0.38 1.09 -0.22 3.99 1.57 -2.00 -2.16 116.57 119.21 3mkk h LYS 174 Ca -0.43 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.22 3mkk h LYS 174 Cb 1.28 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3mkk h LYS 174 CO 0.51 0.72 -0.15 0.93 -0.57 0.00 0.00 179.45 180.89 3mkk h GLU 175 N 1.12 0.36 -0.30 3.15 4.39 -1.95 0.07 114.58 121.43 3mkk h GLU 175 Ca 0.41 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 60.04 3mkk h GLU 175 Cb 0.15 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3mkk h GLU 175 CO -0.17 0.52 0.10 -0.44 -1.16 0.00 0.00 179.01 177.85 3mkk h ASP 176 N 0.34 0.10 -0.35 1.42 3.32 -1.78 -0.29 116.42 119.18 3mkk h ASP 176 Ca 0.06 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 3mkk h ASP 176 Cb 0.47 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3mkk h ASP 176 CO 0.03 0.09 -0.24 -0.26 -1.72 0.00 0.00 179.24 177.14 3mkk h PHE 177 N 0.22 0.92 -0.94 4.55 0.04 -1.17 -2.63 116.94 117.92 3mkk h PHE 177 Ca 0.13 -0.25 0.06 0.00 2.80 0.00 0.00 57.97 60.71 3mkk h PHE 177 Cb 0.11 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 37.99 3mkk h PHE 177 CO -0.14 1.01 0.61 0.00 -0.60 0.00 0.00 178.31 179.19 3mkk h ARG 178 N 0.57 1.07 -0.17 1.51 3.08 -0.80 -0.22 114.38 119.42 3mkk h ARG 178 Ca 0.07 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3mkk h ARG 178 Cb 0.81 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3mkk h ARG 178 CO 0.07 0.71 -0.45 0.00 -1.07 0.00 0.00 179.97 179.23 3mkk h ALA 179 N 1.48 0.92 -0.11 0.04 0.00 -0.92 0.23 119.26 120.90 3mkk h ALA 179 Ca 0.40 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3mkk h ALA 179 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mkk h ALA 179 CO -0.15 0.64 0.03 0.28 0.00 0.00 0.00 179.25 180.05 3mkk h VAL 180 N 0.34 1.19 -0.10 0.00 2.07 -1.03 -0.11 116.25 118.61 3mkk h VAL 180 Ca 0.02 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3mkk h VAL 180 Cb 0.92 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3mkk h VAL 180 CO 0.08 0.17 -0.11 0.00 0.02 0.00 0.00 177.57 177.74 3mkk h ALA 181 N 0.82 -0.03 -0.42 1.67 0.00 -0.87 -2.25 119.26 118.18 3mkk h ALA 181 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mkk h ALA 181 Cb 0.25 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3mkk h ALA 181 CO 0.00 -0.56 0.27 -0.22 0.00 0.00 0.00 179.25 178.74 3mkk h LYS 182 N -0.13 0.56 -0.65 0.00 3.64 -0.55 -0.76 116.57 118.68 3mkk h LYS 182 Ca 0.08 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3mkk h LYS 182 Cb 0.24 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3mkk h LYS 182 CO -0.18 0.39 0.40 0.78 -2.27 0.00 0.00 179.45 178.56 3mkk h GLY 183 N 0.57 0.94 0.39 5.01 0.00 -0.70 -0.47 103.07 108.82 3mkk h GLY 183 Ca 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3mkk h GLY 183 CO -0.03 0.26 -0.10 -0.97 0.00 0.00 0.00 176.54 175.70 3mkk h TYR 184 N 0.79 -0.25 -0.48 5.60 -1.99 -1.36 -3.33 116.97 115.95 3mkk h TYR 184 Ca 0.26 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.92 3mkk h TYR 184 Cb 0.02 0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 3mkk h TYR 184 CO -0.05 0.15 0.03 0.00 -0.00 0.00 0.00 178.16 178.29 3mkk h ARG 185 N -0.88 0.79 0.00 4.88 2.47 -1.07 -1.11 114.38 119.45 3mkk h ARG 185 Ca -0.03 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 3mkk h ARG 185 Cb 0.51 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3mkk h ARG 185 CO 0.05 0.78 -0.15 0.93 0.56 0.00 0.00 179.97 182.13 3mkk h GLU 186 N 0.74 0.00 -0.52 0.04 5.08 -1.27 -2.60 114.58 116.05 3mkk h GLU 186 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3mkk h GLU 186 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3mkk h GLU 186 CO 0.01 0.15 0.00 0.09 -1.00 0.00 0.00 179.01 178.26 3mkk n ASN 187 N -3.21 3.31 -3.24 1.42 5.03 -1.01 -4.96 115.26 112.60 3mkk n ASN 187 Ca 0.02 -1.97 -0.23 0.00 0.87 0.00 0.00 54.58 53.26 3mkk n ASN 187 Cb 0.47 -0.34 0.03 0.00 -1.02 0.00 0.00 39.78 38.92 3mkk n ASN 187 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3mkk n HIS 188 N 1.34 -2.06 -3.19 3.10 8.25 -0.80 -4.93 115.22 116.92 3mkk n HIS 188 Ca 0.20 0.59 -0.40 0.00 -0.26 0.00 0.00 57.72 57.86 3mkk n HIS 188 Cb 0.55 -4.14 -0.06 0.00 1.12 0.00 0.00 29.99 27.46 3mkk n HIS 188 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mkk s ILE 189 N -3.14 5.07 0.51 1.59 1.01 -0.49 -4.96 121.20 120.79 3mkk s ILE 189 Ca 0.39 1.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.86 3mkk s ILE 189 Cb -0.18 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 3mkk s ILE 189 CO 0.48 0.15 1.40 -2.84 0.00 0.00 0.00 174.94 174.13 3mkk s PRO 190 N 1.71 3.34 -0.14 2.79 0.02 -1.26 -4.47 135.00 136.99 3mkk s PRO 190 Ca 0.26 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 3mkk s PRO 190 Cb -0.16 -2.42 0.11 0.00 0.02 0.00 0.00 34.50 32.06 3mkk s PRO 190 CO 0.10 -1.06 0.91 -1.50 -0.33 0.00 0.00 177.00 175.12 3mkk s ILE 191 N -1.25 0.00 0.00 2.83 2.07 -0.87 -4.77 121.20 119.21 3mkk s ILE 191 Ca 0.67 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.91 3mkk s ILE 191 Cb -0.42 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.17 3mkk s ILE 191 CO 0.52 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 174.02 3mkk n ASP 192 N 0.93 2.40 -3.94 4.50 8.00 -0.35 -4.51 116.55 123.58 3mkk n ASP 192 Ca -0.13 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 3mkk n ASP 192 Cb 0.57 0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.99 3mkk n ASP 192 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3mkk s MET 193 N -1.01 0.37 -0.11 -1.24 -1.94 -1.06 -1.27 119.30 113.05 3mkk s MET 193 Ca 0.00 -0.15 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 3mkk s MET 193 Cb 0.00 -0.37 0.01 0.00 2.01 0.00 0.00 34.83 36.48 3mkk s MET 193 CO 0.00 0.08 -0.19 0.42 -0.01 0.00 0.00 175.02 175.32 3mkk s ILE 194 N -0.02 1.73 0.20 2.53 1.01 -1.00 -1.36 121.20 124.29 3mkk s ILE 194 Ca 0.01 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 3mkk s ILE 194 Cb -0.03 -1.54 -0.08 0.00 0.01 0.00 0.00 42.46 40.82 3mkk s ILE 194 CO -0.00 0.49 0.73 -0.31 0.00 0.00 0.00 174.94 175.84 3mkk s TYR 195 N 0.70 3.73 -0.29 3.97 1.51 0.08 -1.20 117.35 125.85 3mkk s TYR 195 Ca -0.12 1.45 -0.04 0.00 -1.01 0.00 0.00 57.07 57.34 3mkk s TYR 195 Cb -0.16 -2.65 0.03 0.00 -0.11 0.00 0.00 41.96 39.07 3mkk s TYR 195 CO 0.02 0.40 0.03 -1.64 -1.11 0.00 0.00 175.55 173.26 3mkk s MET 196 N -1.70 2.82 0.56 -0.62 -1.94 -0.27 -4.59 119.30 113.55 3mkk s MET 196 Ca 0.40 -1.02 -0.04 0.00 -1.71 0.00 0.00 55.69 53.32 3mkk s MET 196 Cb -0.18 -3.25 0.12 0.00 2.01 0.00 0.00 34.83 33.52 3mkk s MET 196 CO 0.22 -0.50 0.76 -3.47 -0.01 0.00 0.00 175.02 172.02 3mkk n ASP 197 N 4.76 0.66 0.26 3.03 4.64 -1.26 -1.83 116.55 126.81 3mkk n ASP 197 Ca -0.14 -1.65 0.12 0.00 -1.38 0.00 0.00 54.79 51.74 3mkk n ASP 197 Cb 0.46 -0.53 0.63 0.00 -1.04 0.00 0.00 41.12 40.64 3mkk n ASP 197 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 3mkk h ILE 198 N -0.85 0.00 0.00 5.18 3.07 -1.91 -2.50 117.51 120.50 3mkk h ILE 198 Ca -0.25 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.16 3mkk h ILE 198 Cb 0.84 0.51 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 3mkk h ILE 198 CO 0.23 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.80 3mkk n ASP 199 N -2.51 0.00 0.22 2.16 8.00 -1.26 -2.87 116.55 120.29 3mkk n ASP 199 Ca -0.02 0.30 0.13 0.00 0.71 0.00 0.00 54.79 55.91 3mkk n ASP 199 Cb 0.33 -0.42 0.27 0.00 -0.02 0.00 0.00 41.12 41.27 3mkk n ASP 199 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3mkk h TYR 200 N 0.00 0.00 -4.29 1.24 -0.00 -1.69 -3.46 116.97 108.77 3mkk h TYR 200 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 58.73 58.24 3mkk h TYR 200 Cb 0.35 0.00 0.11 0.00 0.00 0.00 0.00 36.73 37.19 3mkk h TYR 200 CO 0.00 0.00 0.34 -1.64 -0.00 0.00 0.00 178.16 176.86 3mkk s MET 201 N -3.28 2.14 -0.43 0.10 -1.94 -1.14 -0.50 119.30 114.25 3mkk s MET 201 Ca 0.06 0.68 -0.25 0.00 -1.71 0.00 0.00 55.69 54.47 3mkk s MET 201 Cb 0.06 -1.92 0.02 0.00 2.01 0.00 0.00 34.83 35.00 3mkk s MET 201 CO 0.64 -1.59 0.90 -1.14 -0.01 0.00 0.00 175.02 173.82 3mkk s GLN 202 N -5.14 3.62 -1.60 2.03 2.00 -1.26 -3.82 119.66 115.48 3mkk s GLN 202 Ca 0.61 0.25 -0.14 0.00 -2.00 0.00 0.00 55.36 54.08 3mkk s GLN 202 Cb -0.14 -3.89 0.11 0.00 0.80 0.00 0.00 33.01 29.89 3mkk s GLN 202 CO 0.54 -1.11 0.77 -0.25 -0.50 0.00 0.00 175.29 174.75 3mkk n ASP 203 N 6.96 -3.11 -1.55 6.67 8.00 -1.26 -1.56 116.55 130.69 3mkk n ASP 203 Ca 0.06 -0.95 -0.18 0.00 0.71 0.00 0.00 54.79 54.43 3mkk n ASP 203 Cb 0.48 -3.12 -0.06 0.00 -0.02 0.00 0.00 41.12 38.40 3mkk n ASP 203 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mkk n PHE 204 N -4.46 -0.22 -2.88 1.24 3.72 -1.26 -4.71 117.46 108.89 3mkk n PHE 204 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3mkk n PHE 204 Cb 0.54 -3.20 -0.04 0.00 -0.94 0.00 0.00 39.48 35.83 3mkk n PHE 204 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3mkk s LYS 205 N -3.88 4.04 0.19 -1.08 1.02 -0.60 -4.65 119.74 114.78 3mkk s LYS 205 Ca 0.00 0.75 -0.32 0.00 0.02 0.00 0.00 55.97 56.42 3mkk s LYS 205 Cb 0.00 -3.71 -0.15 0.00 -0.52 0.00 0.00 37.83 33.45 3mkk s LYS 205 CO 0.00 -0.67 1.14 -0.25 -0.92 0.00 0.00 175.35 174.65 3mkk n ASP 206 N 6.25 1.34 -1.21 2.83 8.00 -1.26 -2.65 116.55 129.85 3mkk n ASP 206 Ca 0.05 1.15 -0.11 0.00 0.71 0.00 0.00 54.79 56.59 3mkk n ASP 206 Cb 0.48 -1.23 -0.01 0.00 -0.02 0.00 0.00 41.12 40.34 3mkk n ASP 206 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mkk n PHE 207 N 1.32 -0.47 -4.46 1.24 3.72 -1.26 -4.96 117.46 112.59 3mkk n PHE 207 Ca 0.14 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.32 3mkk n PHE 207 Cb 0.26 -2.52 -0.10 0.00 -0.94 0.00 0.00 39.48 36.18 3mkk n PHE 207 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3mkk s THR 208 N -2.53 1.08 -0.00 4.37 -4.23 -1.08 -5.01 115.64 108.23 3mkk s THR 208 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3mkk s THR 208 Cb 0.00 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.12 3mkk s THR 208 CO 0.00 0.00 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 3mkk s VAL 209 N -3.30 0.39 -0.42 2.29 1.01 -1.26 -4.32 120.40 114.77 3mkk s VAL 209 Ca 0.34 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 3mkk s VAL 209 Cb 0.08 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 3mkk s VAL 209 CO 0.15 0.10 2.37 -3.20 0.00 0.00 0.00 175.10 174.52 3mkk n ASN 210 N 2.94 2.53 0.15 3.32 2.85 0.34 -4.20 115.26 123.19 3mkk n ASN 210 Ca -0.13 -0.26 0.13 0.00 -0.11 0.00 0.00 54.58 54.21 3mkk n ASN 210 Cb 0.58 -1.55 0.41 0.00 1.24 0.00 0.00 39.78 40.46 3mkk n ASN 210 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3mkk h GLU 211 N 17.90 0.00 -0.04 1.20 5.08 -1.90 0.72 114.58 137.54 3mkk h GLU 211 Ca -0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3mkk h GLU 211 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3mkk h GLU 211 CO 1.10 0.00 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.85 3mkk h LYS 212 N 0.00 0.11 0.00 2.33 3.64 -1.98 -2.92 116.57 117.75 3mkk h LYS 212 Ca 0.00 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 3mkk h LYS 212 Cb 0.69 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3mkk h LYS 212 CO 0.00 0.57 -0.89 -0.91 -2.27 0.00 0.00 179.45 175.95 3mkk h ASN 213 N -0.36 0.00 -2.66 4.20 2.35 -1.90 -3.38 115.58 113.84 3mkk h ASN 213 Ca 0.01 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.15 3mkk h ASN 213 Cb 0.56 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.52 3mkk h ASN 213 CO 0.01 0.89 -0.69 0.49 -1.65 0.00 0.00 177.43 176.48 3mkk n PHE 214 N -3.44 2.27 -0.02 1.19 3.72 0.23 -4.41 117.46 117.00 3mkk n PHE 214 Ca -0.00 -4.03 0.03 0.00 -0.05 0.00 0.00 57.45 53.39 3mkk n PHE 214 Cb 0.86 -0.42 0.38 0.00 -0.94 0.00 0.00 39.48 39.36 3mkk n PHE 214 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3mkk h PRO 215 N 5.05 0.58 -2.09 -1.08 0.11 -1.70 -3.30 132.00 129.57 3mkk h PRO 215 Ca 0.18 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.66 3mkk h PRO 215 Cb 0.77 -0.12 -0.40 0.00 0.11 0.00 0.00 31.00 31.36 3mkk h PRO 215 CO 0.66 0.43 -0.95 -3.47 -0.21 0.00 0.00 178.00 174.46 3mkk n ASP 216 N -4.43 1.20 -0.24 -2.05 -0.08 -1.26 -5.00 116.55 104.70 3mkk n ASP 216 Ca 0.03 -2.90 -0.01 0.00 -1.51 0.00 0.00 54.79 50.40 3mkk n ASP 216 Cb 0.10 -0.65 0.10 0.00 2.34 0.00 0.00 41.12 43.01 3mkk n ASP 216 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3mkk h PHE 217 N 4.15 0.72 -0.72 -0.67 3.57 -1.98 -2.28 116.94 119.73 3mkk h PHE 217 Ca 0.12 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3mkk h PHE 217 Cb 0.82 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3mkk h PHE 217 CO 0.47 0.35 0.47 -1.35 -2.23 0.00 0.00 178.31 176.02 3mkk h PRO 218 N 0.73 0.67 -0.15 6.41 0.11 -1.95 0.16 132.00 137.98 3mkk h PRO 218 Ca 0.31 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.22 3mkk h PRO 218 Cb 0.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3mkk h PRO 218 CO -0.18 0.44 -0.57 0.93 -0.21 0.00 0.00 178.00 178.42 3mkk h GLU 219 N 0.69 0.46 -0.42 1.05 4.39 -1.75 -1.24 114.58 117.75 3mkk h GLU 219 Ca 0.32 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3mkk h GLU 219 Cb 0.35 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3mkk h GLU 219 CO -0.11 0.90 -0.13 0.35 -1.16 0.00 0.00 179.01 178.86 3mkk h PHE 220 N 0.35 0.94 -0.57 4.33 3.57 -0.83 0.23 116.94 124.97 3mkk h PHE 220 Ca 0.00 -0.21 0.10 0.00 3.53 0.00 0.00 57.97 61.39 3mkk h PHE 220 Cb 1.09 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.53 3mkk h PHE 220 CO 0.04 0.96 0.13 0.28 -2.23 0.00 0.00 178.31 177.49 3mkk h VAL 221 N 0.66 0.68 -0.50 1.41 2.07 -0.69 -1.72 116.25 118.17 3mkk h VAL 221 Ca 0.10 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3mkk h VAL 221 Cb 0.67 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3mkk h VAL 221 CO 0.05 0.05 -0.01 0.50 0.02 0.00 0.00 177.57 178.18 3mkk h LYS 222 N 0.27 0.88 -0.80 1.57 3.64 -0.89 0.97 116.57 122.23 3mkk h LYS 222 Ca 0.29 -0.29 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 3mkk h LYS 222 Cb 0.41 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.06 3mkk h LYS 222 CO -0.36 0.92 0.35 1.49 -2.27 0.00 0.00 179.45 179.58 3mkk h GLU 223 N 0.75 0.48 -0.07 1.90 4.81 -0.19 0.61 114.58 122.86 3mkk h GLU 223 Ca 0.14 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3mkk h GLU 223 Cb 0.53 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.81 3mkk h GLU 223 CO 0.03 0.31 -0.45 0.52 -0.73 0.00 0.00 179.01 178.70 3mkk h MET 224 N 0.49 0.43 -0.35 1.92 2.86 -0.98 -3.33 114.93 115.97 3mkk h MET 224 Ca 0.44 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3mkk h MET 224 Cb 0.68 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 3mkk h MET 224 CO -0.41 1.01 0.14 -0.22 1.06 0.00 0.00 176.91 178.50 3mkk h LYS 225 N -0.04 0.48 0.00 1.72 3.64 -0.05 -0.62 116.57 121.70 3mkk h LYS 225 Ca -0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3mkk h LYS 225 Cb 1.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3mkk h LYS 225 CO 0.09 0.40 0.00 -0.25 -2.27 0.00 0.00 179.45 177.42 3mkk n ASP 226 N -4.40 0.50 -1.35 4.20 8.00 0.14 -0.87 116.55 122.76 3mkk n ASP 226 Ca 0.02 0.64 0.10 0.00 0.71 0.00 0.00 54.79 56.26 3mkk n ASP 226 Cb 0.13 -0.74 0.32 0.00 -0.02 0.00 0.00 41.12 40.81 3mkk n ASP 226 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mkk n GLN 227 N -2.07 3.11 -3.60 -1.24 6.02 -0.42 -4.94 117.38 114.25 3mkk n GLN 227 Ca 0.02 -2.69 -0.22 0.00 -0.01 0.00 0.00 57.00 54.10 3mkk n GLN 227 Cb 0.18 -1.66 0.07 0.00 1.02 0.00 0.00 30.24 29.85 3mkk n GLN 227 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3mkk n GLU 228 N 1.29 -6.87 -3.92 -1.09 -0.58 -0.05 -5.02 120.64 104.40 3mkk n GLU 228 Ca 0.24 0.78 -0.29 0.00 -0.42 0.00 0.00 57.16 57.47 3mkk n GLU 228 Cb 0.70 -5.75 -0.16 0.00 -0.57 0.00 0.00 31.44 25.66 3mkk n GLU 228 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mkk s LEU 229 N -6.92 1.94 -0.23 -4.62 1.43 -0.37 -4.34 118.68 105.57 3mkk s LEU 229 Ca 0.33 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3mkk s LEU 229 Cb -0.15 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 3mkk s LEU 229 CO 0.75 -0.19 0.10 -0.13 0.23 0.00 0.00 176.35 177.12 3mkk s ARG 230 N 1.54 3.90 0.02 1.70 0.52 -0.40 -2.22 118.95 124.00 3mkk s ARG 230 Ca -0.01 -0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.55 3mkk s ARG 230 Cb -0.16 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 3mkk s ARG 230 CO -0.08 0.03 0.93 -0.51 0.02 0.00 0.00 175.30 175.70 3mkk s LEU 231 N 1.07 4.39 -0.44 2.53 1.43 -1.26 -2.38 118.68 124.02 3mkk s LEU 231 Ca 0.05 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 3mkk s LEU 231 Cb -0.14 -3.50 0.12 0.00 0.03 0.00 0.00 46.19 42.70 3mkk s LEU 231 CO 0.04 -0.19 0.21 -0.63 0.23 0.00 0.00 176.35 176.00 3mkk s ILE 232 N 0.74 2.92 0.37 -0.59 -1.09 -0.34 -4.53 121.20 118.68 3mkk s ILE 232 Ca 0.49 -2.53 -0.16 0.00 -2.23 0.00 0.00 60.65 56.21 3mkk s ILE 232 Cb -0.21 -3.03 -0.09 0.00 -1.58 0.00 0.00 42.46 37.55 3mkk s ILE 232 CO 0.27 -0.71 0.81 -2.84 -1.23 0.00 0.00 174.94 171.24 3mkk s PRO 233 N 0.60 4.04 0.24 2.79 0.02 -1.24 -1.11 135.00 140.33 3mkk s PRO 233 Ca 0.12 0.78 -0.12 0.00 0.02 0.00 0.00 61.00 61.81 3mkk s PRO 233 Cb -0.22 -2.34 -0.08 0.00 0.02 0.00 0.00 34.50 31.89 3mkk s PRO 233 CO -0.05 0.06 0.60 -1.50 -0.33 0.00 0.00 177.00 175.78 3mkk s ILE 234 N -2.12 4.85 -0.03 2.83 2.07 -0.76 -2.18 121.20 125.86 3mkk s ILE 234 Ca 0.56 0.68 0.03 0.00 -1.41 0.00 0.00 60.65 60.50 3mkk s ILE 234 Cb -0.10 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.85 3mkk s ILE 234 CO 0.18 -0.03 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.45 3mkk s ILE 235 N -1.78 0.88 0.31 2.00 -1.09 -0.12 -4.92 121.20 116.48 3mkk s ILE 235 Ca 0.47 -0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.56 3mkk s ILE 235 Cb -0.12 -0.79 -0.03 0.00 -1.58 0.00 0.00 42.46 39.95 3mkk s ILE 235 CO 0.20 0.28 0.32 -1.81 -1.23 0.00 0.00 174.94 172.69 3mkk s ASP 236 N 0.28 5.58 0.25 3.58 1.01 -1.26 -2.57 116.67 123.53 3mkk s ASP 236 Ca -0.05 -0.33 -0.03 0.00 0.71 0.00 0.00 52.55 52.86 3mkk s ASP 236 Cb -0.10 -1.20 0.31 0.00 1.01 0.00 0.00 42.92 42.93 3mkk s ASP 236 CO 0.01 -0.28 1.75 0.00 0.21 0.00 0.00 175.17 176.87 3mkk h ALA 237 N 1.22 1.08 -2.30 5.23 0.00 -1.76 -3.44 119.26 119.28 3mkk h ALA 237 Ca -0.46 -0.26 -0.57 0.00 0.00 0.00 0.00 54.91 53.61 3mkk h ALA 237 Cb 1.25 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3mkk h ALA 237 CO 0.58 0.58 0.50 0.20 0.00 0.00 0.00 179.25 181.12 3mkk s GLY 238 N -3.69 2.16 -0.28 0.00 0.00 -1.26 -4.23 107.32 100.02 3mkk s GLY 238 Ca -0.10 0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.66 3mkk s GLY 238 CO 0.82 1.82 0.36 0.14 0.00 0.00 0.00 173.10 176.23 3mkk s VAL 239 N 2.20 5.18 0.17 1.40 1.01 0.02 -4.71 120.40 125.66 3mkk s VAL 239 Ca 0.43 0.48 -0.34 0.00 0.00 0.00 0.00 61.98 62.55 3mkk s VAL 239 Cb -0.17 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3mkk s VAL 239 CO 0.14 0.13 1.47 1.17 0.00 0.00 0.00 175.10 178.01 3mkk n LYS 240 N 5.32 1.88 -2.24 2.72 4.81 -1.26 -1.25 118.16 128.14 3mkk n LYS 240 Ca -0.09 0.68 -0.43 0.00 -0.87 0.00 0.00 58.31 57.60 3mkk n LYS 240 Cb 0.51 -2.38 -0.02 0.00 0.02 0.00 0.00 35.03 33.15 3mkk n LYS 240 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3mkk s VAL 241 N 0.54 3.75 -0.28 3.15 1.01 -0.08 -4.66 120.40 123.83 3mkk s VAL 241 Ca 0.77 0.76 -0.07 0.00 0.00 0.00 0.00 61.98 63.43 3mkk s VAL 241 Cb -0.73 -4.04 0.14 0.00 0.00 0.00 0.00 36.38 31.74 3mkk s VAL 241 CO 0.43 -0.68 0.60 -0.70 0.00 0.00 0.00 175.10 174.74 3mkk s GLU 242 N 5.24 0.53 0.21 2.72 2.12 -1.26 -4.91 118.70 123.35 3mkk s GLU 242 Ca 0.66 1.27 -0.32 0.00 0.36 0.00 0.00 54.97 56.95 3mkk s GLU 242 Cb -0.16 0.68 -0.12 0.00 0.26 0.00 0.00 34.13 34.79 3mkk s GLU 242 CO 0.32 -0.31 1.67 1.63 -0.54 0.00 0.00 175.26 178.03 3mkk n LYS 243 N 5.43 2.62 0.00 4.30 5.02 -1.26 -1.91 118.16 132.36 3mkk n LYS 243 Ca -0.09 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3mkk n LYS 243 Cb 0.50 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 3mkk n LYS 243 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mkk n GLY 244 N 3.55 3.43 3.63 0.72 0.00 -1.26 -5.02 105.19 110.24 3mkk n GLY 244 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3mkk n GLY 244 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mkk s TYR 245 N -2.86 2.88 0.16 1.61 5.04 -0.80 -4.93 117.35 118.46 3mkk s TYR 245 Ca 0.00 1.00 -0.15 0.00 -2.44 0.00 0.00 57.07 55.48 3mkk s TYR 245 Cb 0.00 -3.82 0.10 0.00 0.35 0.00 0.00 41.96 38.59 3mkk s TYR 245 CO 0.00 -1.33 1.74 1.49 -1.34 0.00 0.00 175.55 176.12 3mkk h GLU 246 N 8.75 0.27 -0.38 4.97 4.81 -1.95 0.77 114.58 131.82 3mkk h GLU 246 Ca -0.24 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3mkk h GLU 246 Cb 1.08 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 3mkk h GLU 246 CO 1.03 0.18 0.13 0.28 -0.73 0.00 0.00 179.01 179.91 3mkk h VAL 247 N 0.28 0.89 0.08 0.32 2.07 -1.93 0.32 116.25 118.29 3mkk h VAL 247 Ca 0.19 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3mkk h VAL 247 Cb 0.19 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3mkk h VAL 247 CO -0.21 0.05 -0.04 0.22 0.02 0.00 0.00 177.57 177.62 3mkk h TYR 248 N 0.29 -0.10 -0.56 1.57 3.20 -1.61 -1.98 116.97 117.78 3mkk h TYR 248 Ca 0.17 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.08 3mkk h TYR 248 Cb 0.15 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3mkk h TYR 248 CO -0.14 0.07 0.31 0.93 -1.64 0.00 0.00 178.16 177.69 3mkk h GLU 249 N -0.26 0.58 -0.80 1.82 4.39 -0.46 -1.05 114.58 118.79 3mkk h GLU 249 Ca -0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3mkk h GLU 249 Cb 0.22 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 3mkk h GLU 249 CO 0.02 0.38 0.50 0.93 -1.16 0.00 0.00 179.01 179.68 3mkk h GLU 250 N 0.60 1.08 -0.36 2.33 5.08 -0.36 -1.01 114.58 121.93 3mkk h GLU 250 Ca 0.24 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 3mkk h GLU 250 Cb 0.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3mkk h GLU 250 CO -0.14 0.75 -0.25 0.78 -1.00 0.00 0.00 179.01 179.15 3mkk h GLY 251 N 1.10 0.80 0.61 -3.84 0.00 -0.82 -1.82 103.07 99.09 3mkk h GLY 251 Ca 0.29 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3mkk h GLY 251 CO -0.06 0.63 -0.14 -2.08 0.00 0.00 0.00 176.54 174.90 3mkk h VAL 252 N 0.64 0.71 -0.58 4.60 2.07 -1.06 -0.61 116.25 122.02 3mkk h VAL 252 Ca 0.08 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 67.03 3mkk h VAL 252 Cb 0.76 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 3mkk h VAL 252 CO 0.06 0.13 0.11 0.50 0.02 0.00 0.00 177.57 178.39 3mkk h LYS 253 N -0.78 0.23 -0.65 1.57 3.64 -1.15 -2.79 116.57 116.63 3mkk h LYS 253 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3mkk h LYS 253 Cb 0.51 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3mkk h LYS 253 CO 0.06 0.15 0.00 0.09 -2.27 0.00 0.00 179.45 177.48 3mkk n ASN 254 N -5.14 3.59 -3.74 4.20 3.02 -0.69 -4.95 115.26 111.55 3mkk n ASN 254 Ca 0.08 -2.04 -0.25 0.00 -0.03 0.00 0.00 54.58 52.34 3mkk n ASN 254 Cb 0.31 -0.45 0.04 0.00 -0.61 0.00 0.00 39.78 39.07 3mkk n ASN 254 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mkk n ASN 255 N 1.37 -3.56 -0.23 6.41 3.02 -0.99 -4.91 115.26 116.37 3mkk n ASN 255 Ca 0.22 -0.73 0.12 0.00 -0.03 0.00 0.00 54.58 54.16 3mkk n ASN 255 Cb 0.58 -4.28 0.28 0.00 -0.61 0.00 0.00 39.78 35.75 3mkk n ASN 255 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3mkk n TYR 256 N -4.55 0.00 -3.36 3.10 4.01 -0.27 -4.94 117.16 111.16 3mkk n TYR 256 Ca -0.11 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.37 3mkk n TYR 256 Cb 0.60 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.49 3mkk n TYR 256 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3mkk s PHE 257 N -2.60 3.50 0.18 -0.72 0.08 -1.24 -0.25 117.98 116.93 3mkk s PHE 257 Ca 0.21 0.45 -0.31 0.00 0.12 0.00 0.00 56.93 57.40 3mkk s PHE 257 Cb 0.19 -1.96 -0.09 0.00 -0.57 0.00 0.00 43.02 40.58 3mkk s PHE 257 CO 0.57 0.14 1.39 0.00 -0.10 0.00 0.00 175.22 177.21 3mkk s LYS 259 N 0.32 2.36 1.23 0.00 1.02 -1.21 -1.51 119.74 121.94 3mkk s LYS 259 Ca 0.61 -0.92 -0.18 0.00 0.02 0.00 0.00 55.97 55.50 3mkk s LYS 259 Cb -0.38 -2.44 0.29 0.00 -0.52 0.00 0.00 37.83 34.78 3mkk s LYS 259 CO 0.36 0.53 1.05 1.03 -0.92 0.00 0.00 175.35 177.40 3mkk s ARG 260 N -2.24 -1.41 0.47 1.68 0.52 0.11 -1.11 118.95 116.97 3mkk s ARG 260 Ca 0.24 0.17 0.16 0.00 -0.52 0.00 0.00 55.73 55.78 3mkk s ARG 260 Cb -0.11 -1.55 1.09 0.00 0.52 0.00 0.00 34.95 34.89 3mkk s ARG 260 CO 0.16 -3.88 2.03 1.49 0.02 0.00 0.00 175.30 175.11 3mkk h GLU 261 N -2.71 0.00 -0.07 3.54 4.81 -1.88 -1.93 114.58 116.34 3mkk h GLU 261 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3mkk h GLU 261 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3mkk h GLU 261 CO 0.38 0.15 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 3mkk n ASP 262 N -4.29 0.68 0.00 1.04 5.68 -1.26 -4.92 116.55 113.48 3mkk n ASP 262 Ca -0.02 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 3mkk n ASP 262 Cb 0.22 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3mkk n ASP 262 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mkk n GLY 263 N 0.92 1.34 3.79 6.12 0.00 -0.73 -5.06 105.19 111.58 3mkk n GLY 263 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3mkk n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mkk s SER 264 N -2.89 6.11 -0.13 1.61 1.04 -1.26 -4.72 113.70 113.46 3mkk s SER 264 Ca 0.00 1.95 -0.29 0.00 0.48 0.00 0.00 55.95 58.08 3mkk s SER 264 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 3mkk s SER 264 CO 0.00 -0.94 1.52 -1.81 0.98 0.00 0.00 173.24 172.99 3mkk s ASP 265 N -2.12 6.68 0.23 7.02 1.01 -1.26 0.09 116.67 128.33 3mkk s ASP 265 Ca 0.67 1.91 -0.32 0.00 0.71 0.00 0.00 52.55 55.52 3mkk s ASP 265 Cb -0.17 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.10 3mkk s ASP 265 CO 0.25 -0.96 1.65 0.33 0.21 0.00 0.00 175.17 176.65 3mkk n PHE 266 N 7.29 2.69 -3.81 4.23 7.35 -0.57 -4.82 117.46 129.83 3mkk n PHE 266 Ca 0.17 0.15 -0.36 0.00 -0.76 0.00 0.00 57.45 56.65 3mkk n PHE 266 Cb 0.44 -2.62 -0.11 0.00 0.35 0.00 0.00 39.48 37.54 3mkk n PHE 266 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3mkk s VAL 267 N 0.72 4.80 -0.06 -2.13 1.01 -1.26 -4.38 120.40 119.10 3mkk s VAL 267 Ca 0.72 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.72 3mkk s VAL 267 Cb -0.53 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3mkk s VAL 267 CO 0.39 0.37 -0.16 0.00 0.00 0.00 0.00 175.10 175.69 3mkk s ALA 268 N 1.11 1.54 -0.04 5.51 0.00 -0.66 -3.64 121.76 125.57 3mkk s ALA 268 Ca 0.05 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 51.15 3mkk s ALA 268 Cb -0.14 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3mkk s ALA 268 CO 0.04 0.22 0.69 0.00 0.00 0.00 0.00 175.76 176.71 3mkk s ALA 269 N 0.32 3.36 0.00 0.00 0.00 0.43 -0.30 121.76 125.57 3mkk s ALA 269 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3mkk s ALA 269 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3mkk s ALA 269 CO 0.04 -0.03 0.00 0.28 0.00 0.00 0.00 175.76 176.05 3mkk n VAL 270 N 3.47 0.00 -0.29 0.00 0.31 -0.63 -1.28 118.33 119.91 3mkk n VAL 270 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.41 3mkk n VAL 270 Cb 0.51 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.68 3mkk n VAL 270 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3mkk h TRP 271 N 0.00 0.16 0.00 3.52 -0.00 -1.96 -1.02 115.95 116.65 3mkk h TRP 271 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 3mkk h TRP 271 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 29.16 29.22 3mkk h TRP 271 CO 0.00 -0.24 0.00 -2.30 -0.00 0.00 0.00 178.44 175.90 3mkk n PRO 272 N -5.29 0.93 0.00 0.49 -0.02 -1.26 -4.97 135.00 124.88 3mkk n PRO 272 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3mkk n PRO 272 Cb 0.61 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 3mkk n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mkk n GLY 273 N 0.50 0.41 3.71 -1.23 0.00 -0.39 -4.88 105.19 103.30 3mkk n GLY 273 Ca 0.04 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 3mkk n GLY 273 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mkk n ASP 274 N 4.38 3.74 -4.29 1.61 8.00 -1.26 -1.61 116.55 127.12 3mkk n ASP 274 Ca 0.00 1.07 -0.15 0.00 0.71 0.00 0.00 54.79 56.42 3mkk n ASP 274 Cb 0.00 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 39.46 3mkk n ASP 274 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3mkk s THR 275 N 0.99 0.61 0.13 -3.53 -4.23 0.58 -0.90 115.64 109.29 3mkk s THR 275 Ca 0.75 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 59.37 3mkk s THR 275 Cb -0.55 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3mkk s THR 275 CO 0.35 -0.19 -0.22 -1.00 -0.54 0.00 0.00 174.62 173.02 3mkk s HIS 276 N -3.72 2.42 -0.20 3.99 3.76 -0.38 -1.65 115.29 119.51 3mkk s HIS 276 Ca 0.32 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 54.80 3mkk s HIS 276 Cb 0.07 -1.29 -0.05 0.00 1.11 0.00 0.00 32.58 32.43 3mkk s HIS 276 CO 0.10 0.38 0.19 -0.06 -0.85 0.00 0.00 174.74 174.50 3mkk s PHE 277 N -1.16 3.40 0.41 1.40 0.08 -1.26 -0.80 117.98 120.05 3mkk s PHE 277 Ca 0.16 0.39 -0.26 0.00 0.12 0.00 0.00 56.93 57.35 3mkk s PHE 277 Cb -0.10 -2.25 -0.10 0.00 -0.57 0.00 0.00 43.02 40.00 3mkk s PHE 277 CO 0.08 0.22 1.30 -2.30 -0.10 0.00 0.00 175.22 174.42 3mkk n PRO 278 N 3.73 2.04 -2.52 0.24 -0.02 -1.26 -0.57 135.00 136.64 3mkk n PRO 278 Ca -0.14 0.72 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 3mkk n PRO 278 Cb 0.52 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3mkk n PRO 278 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3mkk s ASP 279 N -0.46 6.39 0.58 2.55 -1.08 0.65 -4.61 116.67 120.69 3mkk s ASP 279 Ca 0.59 -1.37 0.38 0.00 -0.52 0.00 0.00 52.55 51.63 3mkk s ASP 279 Cb -0.51 -2.57 1.80 0.00 -1.46 0.00 0.00 42.92 40.18 3mkk s ASP 279 CO 0.59 -1.61 2.13 0.24 0.52 0.00 0.00 175.17 177.04 3mkk h MET 280 N 9.93 0.00 -0.01 4.34 2.86 -1.89 -1.27 114.93 128.89 3mkk h MET 280 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3mkk h MET 280 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3mkk h MET 280 CO 1.41 0.00 -0.06 1.28 1.06 0.00 0.00 176.91 180.60 3mkk n LEU 281 N -3.03 1.38 -4.59 1.22 4.77 -1.26 -4.74 117.00 110.74 3mkk n LEU 281 Ca -0.01 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.14 3mkk n LEU 281 Cb 0.20 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 3mkk n LEU 281 CO 0.23 0.24 -0.05 0.21 -1.33 0.00 0.00 177.39 176.69 3mkk s ASN 282 N -2.11 6.14 0.27 -1.43 3.84 -0.48 -4.67 114.94 116.50 3mkk s ASN 282 Ca 0.35 0.10 -0.05 0.00 0.21 0.00 0.00 52.86 53.48 3mkk s ASN 282 Cb 0.21 -2.17 0.33 0.00 -0.55 0.00 0.00 41.25 39.06 3mkk s ASN 282 CO 0.38 -0.14 1.94 -0.65 -2.79 0.00 0.00 177.10 175.84 3mkk h PRO 283 N 8.29 1.24 -0.52 0.43 0.11 -1.85 -0.19 132.00 139.51 3mkk h PRO 283 Ca -0.33 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 3mkk h PRO 283 Cb 1.17 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3mkk h PRO 283 CO 0.61 0.82 0.03 0.93 -0.21 0.00 0.00 178.00 180.18 3mkk h GLU 284 N 1.28 0.90 -0.72 1.05 4.39 -1.93 -2.14 114.58 117.41 3mkk h GLU 284 Ca 0.35 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3mkk h GLU 284 Cb -0.14 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.39 3mkk h GLU 284 CO -0.08 0.91 0.30 0.00 -1.16 0.00 0.00 179.01 178.98 3mkk h ALA 285 N 0.96 0.93 -0.55 3.43 0.00 -1.66 -2.35 119.26 120.02 3mkk h ALA 285 Ca 0.15 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3mkk h ALA 285 Cb 0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3mkk h ALA 285 CO 0.02 0.54 0.34 0.00 0.00 0.00 0.00 179.25 180.15 3mkk h ARG 286 N 1.02 0.66 -0.63 0.00 3.08 -0.86 -0.87 114.38 116.78 3mkk h ARG 286 Ca 0.24 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 3mkk h ARG 286 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3mkk h ARG 286 CO -0.02 0.44 0.09 -0.22 -1.07 0.00 0.00 179.97 179.18 3mkk h LYS 287 N 0.68 1.06 -0.04 0.04 3.64 -1.26 0.16 116.57 120.84 3mkk h LYS 287 Ca 0.22 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3mkk h LYS 287 Cb -0.01 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3mkk h LYS 287 CO -0.08 0.99 0.01 2.35 -2.27 0.00 0.00 179.45 180.45 3mkk h TRP 288 N 0.97 0.07 -0.23 1.91 7.01 -1.23 -0.33 115.95 124.12 3mkk h TRP 288 Ca 0.19 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 3mkk h TRP 288 Cb 0.45 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 3mkk h TRP 288 CO 0.03 0.24 0.01 0.35 -2.79 0.00 0.00 178.44 176.29 3mkk h PHE 289 N -0.12 0.43 -0.42 2.65 3.57 -1.09 -2.82 116.94 119.13 3mkk h PHE 289 Ca 0.01 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3mkk h PHE 289 Cb 0.21 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3mkk h PHE 289 CO -0.01 0.56 0.26 0.78 -2.23 0.00 0.00 178.31 177.67 3mkk h GLY 290 N 0.18 0.60 2.00 2.40 0.00 -0.93 -2.15 103.07 105.17 3mkk h GLY 290 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3mkk h GLY 290 CO 0.01 0.23 -0.04 -0.55 0.00 0.00 0.00 176.54 176.19 3mkk h ASP 291 N 0.57 0.00 1.20 0.19 3.32 -0.79 -2.72 116.42 118.19 3mkk h ASP 291 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3mkk h ASP 291 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3mkk h ASP 291 CO -0.03 0.04 0.00 0.11 -1.72 0.00 0.00 179.24 177.64 3mkk h LYS 292 N 0.00 0.00 0.00 3.56 1.79 -1.36 -2.11 116.57 118.45 3mkk h LYS 292 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3mkk h LYS 292 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3mkk h LYS 292 CO 0.00 0.00 0.00 1.88 -1.08 0.00 0.00 179.45 180.25 3mkk h TYR 293 N 0.00 0.00 -0.79 -1.35 -1.99 -1.64 -2.21 116.97 108.99 3mkk h TYR 293 Ca 0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 3mkk h TYR 293 Cb 0.60 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.25 3mkk h TYR 293 CO 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 178.16 178.59 3mkk h ARG 294 N 0.00 0.69 -0.92 4.88 3.08 -1.60 -0.91 114.38 119.60 3mkk h ARG 294 Ca 0.00 -0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.27 3mkk h ARG 294 Cb 0.03 -0.16 -0.16 0.00 0.08 0.00 0.00 29.97 29.76 3mkk h ARG 294 CO 0.00 0.46 0.17 0.35 -1.07 0.00 0.00 179.97 179.88 3mkk h PHE 295 N 0.72 0.21 0.16 3.04 3.57 -1.63 0.12 116.94 123.14 3mkk h PHE 295 Ca 0.38 0.06 -0.33 0.00 3.53 0.00 0.00 57.97 61.61 3mkk h PHE 295 Cb 0.38 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3mkk h PHE 295 CO -0.08 -0.32 -1.70 -0.07 -2.23 0.00 0.00 178.31 173.91 3mkk h LEU 296 N 0.10 0.54 -0.73 0.59 3.38 -1.49 -3.35 115.31 114.35 3mkk h LEU 296 Ca 0.59 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3mkk h LEU 296 Cb 1.24 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 3mkk h LEU 296 CO -0.77 1.76 0.48 0.40 0.09 0.00 0.00 178.44 180.40 3mkk h ILE 297 N -0.00 1.18 0.00 1.22 2.04 -0.87 -1.45 117.51 119.63 3mkk h ILE 297 Ca -0.35 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3mkk h ILE 297 Cb 2.01 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3mkk h ILE 297 CO 0.14 0.18 0.00 0.44 0.00 0.00 0.00 178.15 178.91 3mkk h ASP 298 N 0.99 0.00 -0.23 1.72 3.32 -1.14 -0.31 116.42 120.76 3mkk h ASP 298 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3mkk h ASP 298 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3mkk h ASP 298 CO -0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 3mkk n GLN 299 N -2.97 2.39 0.00 3.56 6.02 -0.57 -4.94 117.38 120.86 3mkk n GLN 299 Ca -0.03 -2.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.90 3mkk n GLN 299 Cb 0.07 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.84 3mkk n GLN 299 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mkk n GLY 300 N 1.42 1.24 3.74 1.08 0.00 -0.13 -4.50 105.19 108.05 3mkk n GLY 300 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3mkk n GLY 300 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mkk s ILE 301 N -2.00 4.74 -0.14 -0.61 -1.09 -1.05 -4.96 121.20 116.10 3mkk s ILE 301 Ca 0.00 1.68 0.02 0.00 -2.23 0.00 0.00 60.65 60.12 3mkk s ILE 301 Cb 0.00 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.78 3mkk s ILE 301 CO 0.00 0.34 1.02 -0.62 -1.23 0.00 0.00 174.94 174.45 3mkk n GLU 302 N 2.94 2.89 -3.55 2.79 1.02 -1.26 -4.24 120.64 121.22 3mkk n GLU 302 Ca -0.01 -1.55 -0.07 0.00 -0.02 0.00 0.00 57.16 55.50 3mkk n GLU 302 Cb 0.50 -1.04 -0.02 0.00 -0.02 0.00 0.00 31.44 30.86 3mkk n GLU 302 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3mkk s GLY 303 N -0.98 -0.36 0.07 0.62 0.00 -1.26 -2.08 107.32 103.33 3mkk s GLY 303 Ca 0.03 1.39 -0.12 0.00 0.00 0.00 0.00 44.72 46.03 3mkk s GLY 303 CO 0.02 0.50 0.26 -1.36 0.00 0.00 0.00 173.10 172.53 3mkk s PHE 304 N -2.59 -0.01 0.08 1.90 0.08 0.01 -3.70 117.98 113.75 3mkk s PHE 304 Ca 0.06 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 56.88 3mkk s PHE 304 Cb -0.01 0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.46 3mkk s PHE 304 CO -0.06 -0.54 -0.11 1.67 -0.10 0.00 0.00 175.22 176.08 3mkk s TRP 305 N -3.21 1.06 -0.06 0.36 1.48 -0.93 -3.05 118.94 114.59 3mkk s TRP 305 Ca -0.00 -0.58 0.05 0.00 -1.06 0.00 0.00 56.10 54.51 3mkk s TRP 305 Cb 0.02 -0.59 -0.01 0.00 -1.16 0.00 0.00 33.47 31.73 3mkk s TRP 305 CO -0.07 0.01 -0.23 -0.80 -4.06 0.00 0.00 176.95 171.80 3mkk s ASN 306 N -2.13 2.83 0.35 -2.66 0.02 -0.51 -0.94 114.94 111.90 3mkk s ASN 306 Ca 0.01 -0.48 0.04 0.00 -1.02 0.00 0.00 52.86 51.41 3mkk s ASN 306 Cb -0.06 -0.85 -0.04 0.00 0.02 0.00 0.00 41.25 40.32 3mkk s ASN 306 CO 0.01 0.21 0.14 0.00 0.02 0.00 0.00 177.10 177.47 3mkk s ALA 307 N -0.04 2.36 -2.05 0.60 0.00 -1.06 -2.67 121.76 118.90 3mkk s ALA 307 Ca -0.06 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3mkk s ALA 307 Cb -0.14 0.95 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3mkk s ALA 307 CO 0.04 -0.42 0.00 -1.33 0.00 0.00 0.00 175.76 174.05 3mkk n MET 308 N -0.72 -1.52 -0.53 0.00 2.81 -1.26 -3.40 117.12 112.50 3mkk n MET 308 Ca -0.02 1.14 0.04 0.00 -1.81 0.00 0.00 57.70 57.06 3mkk n MET 308 Cb 0.65 -5.60 0.24 0.00 -0.71 0.00 0.00 33.22 27.80 3mkk n MET 308 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3mkk n ASN 309 N -1.49 3.80 -0.18 7.83 6.94 -1.26 -1.19 115.26 129.71 3mkk n ASN 309 Ca -0.21 -2.55 -0.06 0.00 -0.02 0.00 0.00 54.58 51.73 3mkk n ASN 309 Cb 0.67 -0.61 0.10 0.00 -2.36 0.00 0.00 39.78 37.58 3mkk n ASN 309 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3mkk h GLU 310 N 2.35 0.98 -6.56 -3.83 3.07 -1.92 -2.36 114.58 106.31 3mkk h GLU 310 Ca 0.00 -0.26 -0.52 0.00 -0.50 0.00 0.00 59.36 58.08 3mkk h GLU 310 Cb 1.38 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 3mkk h GLU 310 CO 0.30 0.92 0.13 -1.25 -1.40 0.00 0.00 179.01 177.71 3mkk s PRO 311 N -5.13 4.34 0.31 2.33 0.04 -1.26 -4.58 135.00 131.06 3mkk s PRO 311 Ca -0.11 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 3mkk s PRO 311 Cb 0.15 -2.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.60 3mkk s PRO 311 CO 0.83 0.44 1.17 0.00 0.04 0.00 0.00 177.00 179.49 3mkk s ALA 312 N -1.42 3.41 -0.13 8.56 0.00 -0.33 -4.99 121.76 126.86 3mkk s ALA 312 Ca 0.41 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 3mkk s ALA 312 Cb -0.18 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.59 3mkk s ALA 312 CO 0.22 -0.34 -0.04 0.42 0.00 0.00 0.00 175.76 176.02 3mkk s ILE 313 N -1.19 0.87 0.15 0.00 1.01 -1.26 -4.89 121.20 115.88 3mkk s ILE 313 Ca 0.47 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 3mkk s ILE 313 Cb -0.34 -1.00 -0.12 0.00 0.01 0.00 0.00 42.46 41.00 3mkk s ILE 313 CO 0.44 0.23 1.38 -0.26 0.00 0.00 0.00 174.94 176.73 3mkk h PHE 314 N 8.20 0.78 -1.64 3.97 0.04 -1.49 0.15 116.94 126.96 3mkk h PHE 314 Ca -0.25 -0.34 0.23 0.00 2.80 0.00 0.00 57.97 60.41 3mkk h PHE 314 Cb 1.12 -0.12 -0.18 0.00 2.20 0.00 0.00 35.95 38.97 3mkk h PHE 314 CO 0.45 1.13 0.75 1.52 -0.60 0.00 0.00 178.31 181.56 3mkk s TYR 315 N -3.70 -0.17 0.49 -0.55 -0.85 -1.24 -3.73 117.35 107.59 3mkk s TYR 315 Ca -0.08 0.10 0.07 0.00 -0.52 0.00 0.00 57.07 56.65 3mkk s TYR 315 Cb 0.10 0.52 0.02 0.00 0.38 0.00 0.00 41.96 42.98 3mkk s TYR 315 CO 0.87 -0.28 0.47 -1.54 -1.52 0.00 0.00 175.55 173.55 3mkk s SER 316 N -2.26 4.94 0.14 -0.18 1.04 -1.26 -0.43 113.70 115.69 3mkk s SER 316 Ca 0.09 -0.92 -0.15 0.00 0.48 0.00 0.00 55.95 55.45 3mkk s SER 316 Cb -0.01 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3mkk s SER 316 CO -0.05 -0.93 1.69 0.28 0.98 0.00 0.00 173.24 175.21 3mkk h SER 317 N 0.77 0.60 -0.42 7.02 0.02 -1.98 -0.01 113.55 119.55 3mkk h SER 317 Ca -0.38 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3mkk h SER 317 Cb 1.28 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 3mkk h SER 317 CO 0.54 0.60 0.26 -0.33 -1.14 0.00 0.00 176.83 176.76 3mkk h GLU 318 N 0.56 0.52 -0.34 3.45 3.07 -1.96 -2.15 114.58 117.73 3mkk h GLU 318 Ca 0.15 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.80 3mkk h GLU 318 Cb 0.19 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3mkk h GLU 318 CO -0.01 0.34 -0.47 0.78 -1.40 0.00 0.00 179.01 178.25 3mkk h GLY 319 N 0.53 0.98 0.68 -3.84 0.00 -1.88 -2.13 103.07 97.41 3mkk h GLY 319 Ca 0.16 -1.07 0.05 0.00 0.00 0.00 0.00 47.33 46.47 3mkk h GLY 319 CO -0.06 0.97 0.18 -2.00 0.00 0.00 0.00 176.54 175.62 3mkk h LEU 320 N 0.71 0.22 -0.63 3.11 5.85 -0.99 -1.01 115.31 122.58 3mkk h LEU 320 Ca 0.04 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3mkk h LEU 320 Cb 1.07 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3mkk h LEU 320 CO 0.11 0.16 0.20 0.00 -0.34 0.00 0.00 178.44 178.57 3mkk h ALA 321 N 1.26 0.83 -0.76 1.25 0.00 -1.25 -0.13 119.26 120.46 3mkk h ALA 321 Ca 0.20 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3mkk h ALA 321 Cb 0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3mkk h ALA 321 CO -0.18 0.50 0.48 0.93 0.00 0.00 0.00 179.25 180.99 3mkk h GLU 322 N 0.91 0.91 -0.27 0.00 5.08 -1.13 -1.03 114.58 119.04 3mkk h GLU 322 Ca 0.20 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 3mkk h GLU 322 Cb 0.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3mkk h GLU 322 CO -0.01 0.60 -0.45 0.00 -1.00 0.00 0.00 179.01 178.16 3mkk h ALA 323 N 1.32 0.71 -0.48 3.43 0.00 -0.79 -1.36 119.26 122.10 3mkk h ALA 323 Ca 0.31 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3mkk h ALA 323 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3mkk h ALA 323 CO -0.11 0.67 -0.03 0.87 0.00 0.00 0.00 179.25 180.64 3mkk h LYS 324 N 0.55 0.81 -0.49 0.00 1.57 -0.83 -0.03 116.57 118.15 3mkk h LYS 324 Ca 0.04 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 3mkk h LYS 324 Cb 0.99 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3mkk h LYS 324 CO 0.09 0.84 -0.09 1.49 -0.57 0.00 0.00 179.45 181.21 3mkk h GLU 325 N 0.75 0.92 -0.01 3.15 4.81 -0.91 -1.54 114.58 121.75 3mkk h GLU 325 Ca 0.14 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3mkk h GLU 325 Cb 0.50 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3mkk h GLU 325 CO 0.03 0.99 0.01 0.35 -0.73 0.00 0.00 179.01 179.65 3mkk h PHE 326 N 0.77 0.02 -0.91 0.92 3.57 -1.12 -2.61 116.94 117.59 3mkk h PHE 326 Ca 0.13 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.82 3mkk h PHE 326 Cb 0.64 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 3mkk h PHE 326 CO 0.05 0.13 0.59 0.00 -2.23 0.00 0.00 178.31 176.85 3mkk h ALA 327 N 0.88 2.11 -0.32 2.41 0.00 -0.87 0.61 119.26 124.10 3mkk h ALA 327 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3mkk h ALA 327 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3mkk h ALA 327 CO -0.00 -0.40 -0.26 0.78 0.00 0.00 0.00 179.25 179.37 3mkk h GLY 328 N 0.47 0.80 0.91 0.00 0.00 -1.08 -0.86 103.07 103.32 3mkk h GLY 328 Ca 0.47 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3mkk h GLY 328 CO -0.20 0.71 0.09 0.83 0.00 0.00 0.00 176.54 177.97 3mkk h GLU 329 N 0.50 0.27 -0.62 4.80 5.08 -0.89 -2.36 114.58 121.36 3mkk h GLU 329 Ca 0.06 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3mkk h GLU 329 Cb 0.82 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 3mkk h GLU 329 CO 0.07 0.31 0.25 0.35 -1.00 0.00 0.00 179.01 178.98 3mkk h PHE 330 N 0.17 0.44 -0.29 4.33 3.57 -0.87 -2.29 116.94 121.99 3mkk h PHE 330 Ca 0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3mkk h PHE 330 Cb 0.13 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3mkk h PHE 330 CO -0.02 0.13 -0.09 0.00 -2.23 0.00 0.00 178.31 176.09 3mkk h ALA 331 N 1.41 1.30 -0.35 2.41 0.00 -0.88 -2.55 119.26 120.60 3mkk h ALA 331 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mkk h ALA 331 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mkk h ALA 331 CO -0.29 0.47 0.00 0.36 0.00 0.00 0.00 179.25 179.79 3mkk n LYS 332 N -4.23 2.39 -2.51 0.00 2.85 -0.91 -4.91 118.16 110.84 3mkk n LYS 332 Ca 0.01 -2.10 -0.43 0.00 -1.05 0.00 0.00 58.31 54.74 3mkk n LYS 332 Cb 0.30 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.16 3mkk n LYS 332 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3mkk s ASP 333 N -1.51 6.96 -0.05 -5.58 3.68 -0.88 -4.88 116.67 114.41 3mkk s ASP 333 Ca 0.38 1.51 0.16 0.00 2.13 0.00 0.00 52.55 56.72 3mkk s ASP 333 Cb 0.22 -2.54 -0.24 0.00 -1.45 0.00 0.00 42.92 38.91 3mkk s ASP 333 CO 0.31 -0.78 0.31 0.35 0.13 0.00 0.00 175.17 175.49 3mkk n THR 334 N 5.48 0.20 -0.55 1.71 -2.24 -1.26 -4.61 114.28 113.01 3mkk n THR 334 Ca 0.13 -0.43 0.01 0.00 -2.27 0.00 0.00 64.05 61.50 3mkk n THR 334 Cb 0.45 -0.01 0.29 0.00 -2.10 0.00 0.00 70.33 68.96 3mkk n THR 334 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mkk n GLU 335 N -2.17 3.74 -2.10 -0.78 1.02 -1.26 -4.93 120.64 114.16 3mkk n GLU 335 Ca -0.07 -2.48 -0.13 0.00 -0.02 0.00 0.00 57.16 54.46 3mkk n GLU 335 Cb 0.54 -2.08 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 3mkk n GLU 335 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mkk n GLY 336 N 0.27 0.06 0.15 0.62 0.00 -1.26 -4.86 105.19 100.17 3mkk n GLY 336 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 3mkk n GLY 336 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mkk h LYS 337 N 0.00 0.23 -4.53 1.61 1.57 -1.92 -3.41 116.57 110.11 3mkk h LYS 337 Ca -0.30 -0.19 -0.71 0.00 -1.87 0.00 0.00 60.65 57.58 3mkk h LYS 337 Cb 1.12 0.04 -0.28 0.00 0.08 0.00 0.00 32.23 33.19 3mkk h LYS 337 CO 0.38 0.85 -0.51 0.42 -0.57 0.00 0.00 179.45 180.02 3mkk s ILE 338 N -3.53 4.17 0.42 1.86 1.01 -1.26 -5.08 121.20 118.78 3mkk s ILE 338 Ca -0.04 -1.25 -0.22 0.00 0.00 0.00 0.00 60.65 59.14 3mkk s ILE 338 Cb 0.11 -3.47 -0.10 0.00 0.01 0.00 0.00 42.46 39.01 3mkk s ILE 338 CO 0.81 -0.38 0.97 -1.00 0.00 0.00 0.00 174.94 175.34 3mkk s HIS 339 N 1.44 3.32 0.35 3.97 3.76 -1.26 -4.95 115.29 121.92 3mkk s HIS 339 Ca 0.02 1.64 0.09 0.00 -0.15 0.00 0.00 55.06 56.66 3mkk s HIS 339 Cb -0.21 -2.93 0.83 0.00 1.11 0.00 0.00 32.58 31.38 3mkk s HIS 339 CO 0.03 -0.22 1.84 -1.35 -0.85 0.00 0.00 174.74 174.19 3mkk h PRO 340 N 2.14 0.66 0.00 8.40 0.11 -1.98 -1.82 132.00 139.51 3mkk h PRO 340 Ca -0.49 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3mkk h PRO 340 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3mkk h PRO 340 CO 0.61 0.44 -0.25 0.11 -0.21 0.00 0.00 178.00 178.70 3mkk h TRP 341 N 0.68 0.00 -0.20 0.65 0.09 -1.98 0.15 115.95 115.34 3mkk h TRP 341 Ca 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 59.43 3mkk h TRP 341 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.08 3mkk h TRP 341 CO -0.00 0.25 -0.02 0.00 0.09 0.00 0.00 178.44 178.76 3mkk h ALA 342 N 1.75 0.27 -0.51 0.11 0.00 -1.72 -0.34 119.26 118.83 3mkk h ALA 342 Ca -0.00 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.77 3mkk h ALA 342 Cb 0.45 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3mkk h ALA 342 CO 0.03 0.01 0.08 1.98 0.00 0.00 0.00 179.25 181.35 3mkk h MET 343 N 0.11 0.20 -0.76 0.00 1.85 -1.23 -0.07 114.93 115.03 3mkk h MET 343 Ca 0.05 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.10 3mkk h MET 343 Cb 0.43 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 3mkk h MET 343 CO 0.01 0.13 0.35 0.37 -0.40 0.00 0.00 176.91 177.38 3mkk h GLN 344 N 0.21 1.11 -0.46 0.39 4.15 -0.87 -2.44 115.11 117.19 3mkk h GLN 344 Ca 0.26 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 3mkk h GLN 344 Cb 0.36 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3mkk h GLN 344 CO -0.35 0.87 -0.04 0.00 -1.93 0.00 0.00 178.83 177.37 3mkk h ALA 345 N 1.18 0.63 -0.73 3.38 0.00 -0.53 -2.27 119.26 120.92 3mkk h ALA 345 Ca 0.26 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3mkk h ALA 345 Cb 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3mkk h ALA 345 CO -0.03 0.47 0.42 -0.22 0.00 0.00 0.00 179.25 179.89 3mkk h LYS 346 N 0.69 0.74 -0.28 0.00 1.63 -0.85 0.35 116.57 118.87 3mkk h LYS 346 Ca 0.13 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.81 3mkk h LYS 346 Cb 0.56 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3mkk h LYS 346 CO 0.03 0.49 -0.12 0.52 -3.45 0.00 0.00 179.45 176.93 3mkk h MET 347 N 0.77 0.46 -0.30 1.90 2.86 -1.28 -2.02 114.93 117.32 3mkk h MET 347 Ca 0.33 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.67 3mkk h MET 347 Cb 0.19 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3mkk h MET 347 CO -0.18 0.58 -0.47 0.87 1.06 0.00 0.00 176.91 178.77 3mkk h LYS 348 N 0.43 0.79 0.00 1.72 1.79 -1.02 -3.27 116.57 117.01 3mkk h LYS 348 Ca 0.08 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 3mkk h LYS 348 Cb 0.47 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3mkk h LYS 348 CO 0.03 1.09 0.00 0.22 -1.08 0.00 0.00 179.45 179.71 3mkk h ASP 349 N 0.63 0.00 0.58 0.86 -0.00 -0.18 -2.74 116.42 115.57 3mkk h ASP 349 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 3mkk h ASP 349 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.38 3mkk h ASP 349 CO 0.10 0.00 -0.30 2.30 -0.00 0.00 0.00 179.24 181.34 3mkk n ILE 350 N -2.90 0.00 -3.18 2.25 -5.35 -1.11 -4.38 119.36 104.69 3mkk n ILE 350 Ca 0.00 -0.02 -0.39 0.00 -0.27 0.00 0.00 62.75 62.07 3mkk n ILE 350 Cb 0.26 0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.13 3mkk n ILE 350 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3mkk s VAL 351 N -2.89 5.09 -1.48 7.28 1.01 -1.03 -3.95 120.40 124.43 3mkk s VAL 351 Ca 0.15 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 3mkk s VAL 351 Cb 0.18 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3mkk s VAL 351 CO 0.61 0.22 0.66 0.59 0.00 0.00 0.00 175.10 177.18 3mkk n ASN 352 N 4.29 -1.99 -4.70 3.32 3.02 0.54 -4.86 115.26 114.87 3mkk n ASN 352 Ca -0.04 -0.93 -0.42 0.00 -0.03 0.00 0.00 54.58 53.16 3mkk n ASN 352 Cb 0.51 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 3mkk n ASN 352 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3mkk s SER 353 N -3.93 7.00 0.36 6.41 0.15 -1.26 -4.93 113.70 117.50 3mkk s SER 353 Ca 0.29 2.01 0.15 0.00 0.70 0.00 0.00 55.95 59.10 3mkk s SER 353 Cb -0.15 -2.57 1.04 0.00 -1.71 0.00 0.00 66.02 62.63 3mkk s SER 353 CO 0.87 -0.57 1.73 -0.65 1.20 0.00 0.00 173.24 175.82 3mkk h PRO 354 N 7.22 0.42 -0.91 5.44 0.11 -1.89 -0.04 132.00 142.36 3mkk h PRO 354 Ca -0.39 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.70 3mkk h PRO 354 Cb 1.19 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3mkk h PRO 354 CO 0.86 0.28 0.59 0.93 -0.21 0.00 0.00 178.00 180.45 3mkk h GLU 355 N 0.44 1.21 -0.32 1.05 4.39 -1.94 -2.77 114.58 116.63 3mkk h GLU 355 Ca 0.65 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 60.17 3mkk h GLU 355 Cb 1.50 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3mkk h GLU 355 CO -0.42 0.81 -0.21 -0.44 -1.16 0.00 0.00 179.01 177.59 3mkk h ASP 356 N 1.24 0.61 0.54 1.42 3.32 -1.40 -2.55 116.42 119.60 3mkk h ASP 356 Ca 0.33 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3mkk h ASP 356 Cb -0.13 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.26 3mkk h ASP 356 CO -0.07 0.82 0.00 -1.22 -1.72 0.00 0.00 179.24 177.05 3mkk n TYR 357 N -4.13 0.34 0.69 4.55 4.01 -0.98 -0.48 117.16 121.15 3mkk n TYR 357 Ca 0.00 0.14 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 3mkk n TYR 357 Cb 0.40 -0.72 0.24 0.00 -0.31 0.00 0.00 39.34 38.95 3mkk n TYR 357 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3mkk n LYS 358 N -1.81 2.28 0.00 -0.72 5.02 -0.97 -1.53 118.16 120.43 3mkk n LYS 358 Ca 0.03 -1.92 0.10 0.00 -2.02 0.00 0.00 58.31 54.49 3mkk n LYS 358 Cb 0.18 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 3mkk n LYS 358 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3mkk n ARG 359 N 1.17 0.56 -4.33 1.97 1.74 0.36 -4.88 116.66 113.26 3mkk n ARG 359 Ca 0.18 -0.18 -0.17 0.00 -0.77 0.00 0.00 57.85 56.90 3mkk n ARG 359 Cb 0.54 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 3mkk n ARG 359 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3mkk s PHE 360 N -2.79 1.57 0.11 -1.55 -0.12 -1.25 -4.16 117.98 109.79 3mkk s PHE 360 Ca 0.09 -0.74 0.06 0.00 -0.05 0.00 0.00 56.93 56.29 3mkk s PHE 360 Cb 0.15 -0.83 -0.03 0.00 -0.63 0.00 0.00 43.02 41.68 3mkk s PHE 360 CO 0.77 0.15 -0.15 0.71 -0.05 0.00 0.00 175.22 176.65 3mkk s TYR 361 N -3.21 1.41 -0.06 3.49 2.02 -0.27 -0.41 117.35 120.34 3mkk s TYR 361 Ca 0.23 -0.50 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3mkk s TYR 361 Cb 0.03 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 3mkk s TYR 361 CO 0.06 0.13 0.09 -1.01 -1.57 0.00 0.00 175.55 173.26 3mkk s HIS 362 N -1.73 3.39 -0.55 2.71 3.76 -0.07 -3.35 115.29 119.44 3mkk s HIS 362 Ca 0.05 0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 55.11 3mkk s HIS 362 Cb -0.07 -1.82 0.10 0.00 1.11 0.00 0.00 32.58 31.90 3mkk s HIS 362 CO 0.03 0.60 0.60 1.21 -0.85 0.00 0.00 174.74 176.34 3mkk s ASN 363 N -1.35 6.19 -0.43 1.40 2.47 -1.26 -1.07 114.94 120.89 3mkk s ASN 363 Ca 0.19 -1.45 -0.09 0.00 0.42 0.00 0.00 52.86 51.93 3mkk s ASN 363 Cb -0.12 -2.26 0.09 0.00 -1.45 0.00 0.00 41.25 37.51 3mkk s ASN 363 CO 0.09 -0.96 0.29 -0.69 -3.72 0.00 0.00 177.10 172.10 3mkk s VAL 364 N 2.27 4.23 -1.71 -5.21 1.01 0.18 -4.04 120.40 117.13 3mkk s VAL 364 Ca 0.09 -1.51 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 3mkk s VAL 364 Cb -0.25 -3.65 0.19 0.00 0.00 0.00 0.00 36.38 32.67 3mkk s VAL 364 CO 0.06 -0.59 0.66 0.59 0.00 0.00 0.00 175.10 175.82 3mkk n ASN 365 N 4.92 -2.54 0.00 3.32 3.02 -1.26 -0.22 115.26 122.49 3mkk n ASN 365 Ca -0.09 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3mkk n ASN 365 Cb 0.42 -2.13 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 3mkk n ASN 365 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mkk n GLY 366 N -1.18 0.44 3.69 7.41 0.00 -1.26 -5.06 105.19 109.22 3mkk n GLY 366 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3mkk n GLY 366 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mkk s LYS 367 N -0.89 4.15 -0.13 1.61 2.20 0.69 -5.06 119.74 122.30 3mkk s LYS 367 Ca 0.00 -0.09 -0.27 0.00 -0.36 0.00 0.00 55.97 55.25 3mkk s LYS 367 Cb 0.00 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3mkk s LYS 367 CO 0.00 0.10 0.89 0.15 -0.36 0.00 0.00 175.35 176.13 3mkk s LYS 368 N 0.91 4.36 -0.10 4.03 1.02 -1.26 0.49 119.74 129.19 3mkk s LYS 368 Ca 0.12 1.16 0.01 0.00 0.02 0.00 0.00 55.97 57.28 3mkk s LYS 368 Cb -0.13 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 3mkk s LYS 368 CO 0.04 -0.28 -0.13 0.42 -0.92 0.00 0.00 175.35 174.48 3mkk s ILE 369 N 1.95 1.31 0.29 2.17 -1.09 -0.23 -4.96 121.20 120.64 3mkk s ILE 369 Ca 0.42 -0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.01 3mkk s ILE 369 Cb -0.17 -1.22 -0.11 0.00 -1.58 0.00 0.00 42.46 39.37 3mkk s ILE 369 CO 0.15 0.40 1.56 -0.60 -1.23 0.00 0.00 174.94 175.23 3mkk s ARG 370 N 1.04 4.15 0.25 2.79 3.52 -1.26 -0.90 118.95 128.53 3mkk s ARG 370 Ca -0.07 2.52 -0.04 0.00 -0.13 0.00 0.00 55.73 58.01 3mkk s ARG 370 Cb -0.15 -3.04 0.39 0.00 -1.56 0.00 0.00 34.95 30.59 3mkk s ARG 370 CO -0.01 -0.59 1.82 1.25 -0.81 0.00 0.00 175.30 176.96 3mkk h HIS 371 N 4.85 0.90 -0.84 5.12 -0.00 -0.84 -1.69 115.15 122.64 3mkk h HIS 371 Ca -0.47 0.03 0.16 0.00 -0.00 0.00 0.00 60.37 60.09 3mkk h HIS 371 Cb 1.22 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 28.29 3mkk h HIS 371 CO 0.59 0.39 0.55 0.38 -0.00 0.00 0.00 177.93 179.83 3mkk h ASP 372 N 0.84 0.49 0.18 3.26 2.03 -1.54 0.15 116.42 121.83 3mkk h ASP 372 Ca 0.40 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 56.72 3mkk h ASP 372 Cb 0.33 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 38.76 3mkk h ASP 372 CO -0.23 0.24 -0.05 0.11 -1.03 0.00 0.00 179.24 178.27 3mkk h LYS 373 N 0.51 0.00 0.00 4.15 6.56 -1.62 -3.08 116.57 123.08 3mkk h LYS 373 Ca 0.42 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.97 3mkk h LYS 373 Cb 0.88 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.45 3mkk h LYS 373 CO -0.16 0.05 -0.52 1.33 -2.06 0.00 0.00 179.45 178.09 3mkk n VAL 374 N -3.66 0.91 -0.25 0.50 0.24 -0.36 -4.06 118.33 111.65 3mkk n VAL 374 Ca -0.02 -1.47 0.06 0.00 -2.04 0.00 0.00 64.34 60.87 3mkk n VAL 374 Cb 0.15 0.29 0.19 0.00 -1.47 0.00 0.00 33.84 33.01 3mkk n VAL 374 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 3mkk h HIS 375 N 0.46 0.25 0.00 6.34 6.17 -0.67 -1.54 115.15 126.15 3mkk h HIS 375 Ca -0.06 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.07 3mkk h HIS 375 Cb 1.35 0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.29 3mkk h HIS 375 CO 0.23 -0.12 0.00 0.09 0.71 0.00 0.00 177.93 178.85 3mkk n ASN 376 N -5.18 0.00 -0.28 3.26 3.02 -0.58 -2.67 115.26 112.82 3mkk n ASN 376 Ca 0.15 -0.04 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 3mkk n ASN 376 Cb 0.49 -0.23 0.20 0.00 -0.61 0.00 0.00 39.78 39.62 3mkk n ASN 376 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mkk n LEU 377 N -1.23 1.29 0.12 3.41 4.77 -0.58 -4.32 117.00 120.46 3mkk n LEU 377 Ca 0.08 -0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 55.52 3mkk n LEU 377 Cb 0.11 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3mkk n LEU 377 CO 0.11 0.25 0.49 0.15 -1.33 0.00 0.00 177.39 177.06 3mkk h PHE 378 N 1.36 -0.31 -0.50 -1.77 3.57 -1.66 0.10 116.94 117.74 3mkk h PHE 378 Ca 0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3mkk h PHE 378 Cb 0.59 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3mkk h PHE 378 CO 0.00 0.06 0.02 0.78 -2.23 0.00 0.00 178.31 176.93 3mkk h GLY 379 N -0.79 0.88 0.56 2.40 0.00 -1.67 -0.62 103.07 103.83 3mkk h GLY 379 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.73 3mkk h GLY 379 CO 0.06 0.54 -0.29 -1.82 0.00 0.00 0.00 176.54 175.02 3mkk h TYR 380 N 0.76 -0.78 0.00 5.60 3.20 -1.72 -2.12 116.97 121.91 3mkk h TYR 380 Ca 0.15 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3mkk h TYR 380 Cb 0.44 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3mkk h TYR 380 CO 0.02 -0.40 -0.19 -0.91 -1.64 0.00 0.00 178.16 175.04 3mkk h ASN 381 N -0.55 0.00 -0.39 -2.11 2.35 -0.33 -0.42 115.58 114.14 3mkk h ASN 381 Ca 0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 3mkk h ASN 381 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3mkk h ASN 381 CO -0.13 0.19 -0.22 -0.03 -1.65 0.00 0.00 177.43 175.59 3mkk h MET 382 N 0.00 0.83 -0.28 0.81 4.05 -0.90 -0.81 114.93 118.64 3mkk h MET 382 Ca -0.00 -0.38 -0.17 0.00 -0.28 0.00 0.00 59.70 58.87 3mkk h MET 382 Cb 0.42 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.20 3mkk h MET 382 CO 0.03 1.01 -0.50 1.15 0.23 0.00 0.00 176.91 178.83 3mkk h THR 383 N 0.64 1.29 -0.95 -0.77 2.02 -1.00 -2.32 112.91 111.81 3mkk h THR 383 Ca 0.08 -1.70 0.18 0.00 0.77 0.00 0.00 66.41 65.74 3mkk h THR 383 Cb 0.78 1.61 -0.10 0.00 -1.74 0.00 0.00 68.15 68.70 3mkk h THR 383 CO 0.06 0.55 0.54 -0.09 0.37 0.00 0.00 175.52 176.96 3mkk h ARG 384 N 0.61 0.69 -0.53 6.66 2.43 -0.91 -0.83 114.38 122.50 3mkk h ARG 384 Ca 0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3mkk h ARG 384 Cb 1.08 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3mkk h ARG 384 CO 0.11 0.45 -0.06 0.00 -1.51 0.00 0.00 179.97 178.96 3mkk h ALA 385 N 1.62 0.72 -0.21 2.80 0.00 -0.59 0.26 119.26 123.87 3mkk h ALA 385 Ca 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3mkk h ALA 385 Cb 0.82 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3mkk h ALA 385 CO -0.38 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.52 3mkk h ALA 386 N 0.93 0.27 -0.15 0.00 0.00 -1.16 -2.36 119.26 116.80 3mkk h ALA 386 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3mkk h ALA 386 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3mkk h ALA 386 CO 0.04 -0.09 0.07 0.78 0.00 0.00 0.00 179.25 180.05 3mkk h GLY 387 N 0.15 0.23 1.01 0.00 0.00 -0.87 -0.67 103.07 102.92 3mkk h GLY 387 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3mkk h GLY 387 CO -0.00 0.11 0.58 0.83 0.00 0.00 0.00 176.54 178.06 3mkk h GLU 388 N 0.11 1.20 -0.63 4.80 5.08 -1.02 -2.44 114.58 121.68 3mkk h GLU 388 Ca 0.05 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3mkk h GLU 388 Cb 0.13 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3mkk h GLU 388 CO -0.01 0.81 0.10 0.00 -1.00 0.00 0.00 179.01 178.92 3mkk h ALA 389 N 1.32 0.98 -0.67 3.43 0.00 -1.17 -2.32 119.26 120.83 3mkk h ALA 389 Ca 0.33 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3mkk h ALA 389 Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3mkk h ALA 389 CO -0.07 0.64 0.41 0.74 0.00 0.00 0.00 179.25 180.98 3mkk h PHE 390 N 0.97 0.77 -0.66 0.00 0.04 -0.81 0.98 116.94 118.24 3mkk h PHE 390 Ca 0.20 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 3mkk h PHE 390 Cb 0.42 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3mkk h PHE 390 CO 0.03 0.44 0.38 0.93 -0.60 0.00 0.00 178.31 179.49 3mkk h GLU 391 N 0.81 0.90 -0.38 1.51 4.39 -1.26 0.10 114.58 120.65 3mkk h GLU 391 Ca 0.27 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.77 3mkk h GLU 391 Cb 0.02 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3mkk h GLU 391 CO -0.11 0.65 -0.20 0.00 -1.16 0.00 0.00 179.01 178.19 3mkk h ARG 392 N 0.91 0.80 -0.04 2.33 3.08 -0.87 -2.92 114.38 117.67 3mkk h ARG 392 Ca 0.24 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3mkk h ARG 392 Cb -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3mkk h ARG 392 CO -0.04 0.98 -0.19 0.82 -1.07 0.00 0.00 179.97 180.47 3mkk h ILE 393 N 0.60 1.47 -1.42 2.04 2.04 -0.35 -3.43 117.51 118.47 3mkk h ILE 393 Ca 0.08 -1.67 -0.24 0.00 1.00 0.00 0.00 64.86 64.03 3mkk h ILE 393 Cb 0.75 2.46 -0.24 0.00 -0.74 0.00 0.00 36.82 39.05 3mkk h ILE 393 CO 0.06 0.46 -0.60 -0.62 0.00 0.00 0.00 178.15 177.45 3mkk s ASP 394 N -6.18 -0.43 0.59 1.72 -1.08 0.31 -5.03 116.67 106.58 3mkk s ASP 394 Ca -0.15 -1.62 0.32 0.00 -0.52 0.00 0.00 52.55 50.57 3mkk s ASP 394 Cb 0.02 1.26 1.86 0.00 -1.46 0.00 0.00 42.92 44.60 3mkk s ASP 394 CO 0.73 -0.15 2.25 1.55 0.52 0.00 0.00 175.17 180.07 3mkk h PRO 395 N 6.15 0.00 -0.01 4.34 0.13 -1.62 -1.99 132.00 139.00 3mkk h PRO 395 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3mkk h PRO 395 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mkk h PRO 395 CO 0.13 0.02 -0.12 0.39 -0.23 0.00 0.00 178.00 178.19 3mkk n GLU 396 N -3.69 1.31 -4.28 0.86 -0.58 -1.26 -4.90 120.64 108.10 3mkk n GLU 396 Ca -0.03 -0.78 -0.34 0.00 -0.42 0.00 0.00 57.16 55.59 3mkk n GLU 396 Cb 0.11 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.38 3mkk n GLU 396 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3mkk s LYS 397 N -2.22 3.65 -0.05 3.49 2.20 -0.75 -2.48 119.74 123.58 3mkk s LYS 397 Ca 0.32 -0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.20 3mkk s LYS 397 Cb 0.20 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 3mkk s LYS 397 CO 0.42 0.33 0.87 1.03 -0.36 0.00 0.00 175.35 177.64 3mkk s ARG 398 N 0.16 4.48 0.02 4.03 0.52 -0.47 -4.95 118.95 122.74 3mkk s ARG 398 Ca 0.01 1.19 0.03 0.00 -0.52 0.00 0.00 55.73 56.44 3mkk s ARG 398 Cb -0.13 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 3mkk s ARG 398 CO 0.02 -0.07 -0.01 -0.06 0.02 0.00 0.00 175.30 175.20 3mkk s PHE 399 N 1.17 3.02 0.08 -0.53 0.08 -1.26 -4.46 117.98 116.07 3mkk s PHE 399 Ca 0.45 0.03 -0.31 0.00 0.12 0.00 0.00 56.93 57.23 3mkk s PHE 399 Cb -0.19 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.56 3mkk s PHE 399 CO 0.22 0.45 1.35 -1.17 -0.10 0.00 0.00 175.22 175.97 3mkk s LEU 400 N -1.70 4.36 -0.22 -0.37 2.96 -0.88 -4.53 118.68 118.30 3mkk s LEU 400 Ca 0.20 2.21 -0.10 0.00 -0.22 0.00 0.00 54.13 56.22 3mkk s LEU 400 Cb -0.11 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.08 3mkk s LEU 400 CO 0.11 -0.63 0.51 -0.32 -1.32 0.00 0.00 176.35 174.70 3mkk s MET 401 N 1.39 0.47 0.06 1.98 -2.45 -1.25 -0.81 119.30 118.69 3mkk s MET 401 Ca 0.63 1.04 -0.16 0.00 -1.25 0.00 0.00 55.69 55.95 3mkk s MET 401 Cb -0.34 0.22 0.03 0.00 1.25 0.00 0.00 34.83 35.99 3mkk s MET 401 CO 0.29 -0.19 0.37 -0.59 1.05 0.00 0.00 175.02 175.95 3mkk s PHE 402 N 1.96 -0.19 0.41 4.11 -0.71 -1.17 -1.14 117.98 121.25 3mkk s PHE 402 Ca -0.07 0.07 0.05 0.00 -1.04 0.00 0.00 56.93 55.94 3mkk s PHE 402 Cb -0.09 0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.88 3mkk s PHE 402 CO -0.15 -0.57 0.18 0.45 -1.34 0.00 0.00 175.22 173.78 3mkk s SER 403 N -2.17 2.73 -0.12 1.98 0.15 -0.45 -1.42 113.70 114.40 3mkk s SER 403 Ca -0.04 -1.76 -0.11 0.00 0.70 0.00 0.00 55.95 54.74 3mkk s SER 403 Cb -0.00 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 3mkk s SER 403 CO -0.04 -1.02 -0.22 -1.14 1.20 0.00 0.00 173.24 172.02 3mkk n ARG 404 N -0.91 0.37 -3.25 5.44 0.63 -1.09 -2.50 116.66 115.35 3mkk n ARG 404 Ca -0.04 0.24 -0.32 0.00 -0.92 0.00 0.00 57.85 56.81 3mkk n ARG 404 Cb 0.64 -1.24 -0.06 0.00 0.45 0.00 0.00 32.46 32.25 3mkk n ARG 404 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3mkk s SER 405 N -5.31 6.70 0.21 6.15 0.15 -1.26 -4.67 113.70 115.67 3mkk s SER 405 Ca -0.18 1.12 -0.23 0.00 0.70 0.00 0.00 55.95 57.36 3mkk s SER 405 Cb 0.02 -2.31 0.05 0.00 -1.71 0.00 0.00 66.02 62.07 3mkk s SER 405 CO 0.27 -0.16 0.81 -0.94 1.20 0.00 0.00 173.24 174.42 3mkk s SER 406 N -2.34 -0.26 0.03 5.45 1.04 -1.22 -4.23 113.70 112.17 3mkk s SER 406 Ca 0.51 -0.45 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 3mkk s SER 406 Cb -0.11 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.63 3mkk s SER 406 CO 0.19 -1.11 0.23 -0.47 0.98 0.00 0.00 173.24 173.06 3mkk s TYR 407 N -3.62 -0.01 0.26 5.02 5.04 -1.26 -1.49 117.35 121.30 3mkk s TYR 407 Ca 0.10 -0.15 -0.30 0.00 -2.44 0.00 0.00 57.07 54.28 3mkk s TYR 407 Cb -0.04 0.01 -0.11 0.00 0.35 0.00 0.00 41.96 42.18 3mkk s TYR 407 CO 0.03 -0.43 1.51 0.42 -1.34 0.00 0.00 175.55 175.74 3mkk s ILE 408 N -2.35 2.41 0.00 3.14 1.01 -1.24 -1.50 121.20 122.67 3mkk s ILE 408 Ca -0.07 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3mkk s ILE 408 Cb -0.02 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3mkk s ILE 408 CO -0.02 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3mkk n GLY 409 N 2.29 3.15 0.30 6.18 0.00 -1.26 -4.30 105.19 111.55 3mkk n GLY 409 Ca 0.08 -1.11 0.18 0.00 0.00 0.00 0.00 46.02 45.16 3mkk n GLY 409 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3mkk h MET 410 N 0.00 0.00 0.00 1.61 -1.53 -1.59 -2.96 114.93 110.46 3mkk h MET 410 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3mkk h MET 410 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 3mkk h MET 410 CO 0.00 0.04 0.00 1.12 0.14 0.00 0.00 176.91 178.21 3mkk h HIS 411 N 0.00 0.00 0.00 1.39 -0.00 -1.78 -0.19 115.15 114.57 3mkk h HIS 411 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 3mkk h HIS 411 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 3mkk h HIS 411 CO 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 177.93 177.66 3mkk h ARG 412 N 0.00 0.00 0.00 5.12 3.08 -1.72 0.47 114.38 121.33 3mkk h ARG 412 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mkk h ARG 412 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3mkk h ARG 412 CO 0.00 0.27 -1.43 0.66 -1.07 0.00 0.00 179.97 178.40 3mkk n TYR 413 N -3.32 0.00 -3.63 3.04 4.01 -0.11 -3.61 117.16 113.54 3mkk n TYR 413 Ca 0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.72 3mkk n TYR 413 Cb 0.51 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 39.30 3mkk n TYR 413 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3mkk s GLY 414 N -3.15 -0.35 0.43 2.72 0.00 -1.05 -4.62 107.32 101.30 3mkk s GLY 414 Ca -0.03 0.83 -0.07 0.00 0.00 0.00 0.00 44.72 45.44 3mkk s GLY 414 CO 0.43 0.23 0.59 0.61 0.00 0.00 0.00 173.10 174.96 3mkk n GLY 415 N -0.34 -1.21 3.14 0.20 0.00 -0.29 -4.35 105.19 102.33 3mkk n GLY 415 Ca -0.06 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 3mkk n GLY 415 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mkk s ILE 416 N -2.25 0.67 0.27 -0.61 -4.36 -0.97 -1.34 121.20 112.61 3mkk s ILE 416 Ca 0.33 -1.63 0.08 0.00 -0.26 0.00 0.00 60.65 59.17 3mkk s ILE 416 Cb -0.01 -1.30 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 3mkk s ILE 416 CO 0.23 -0.68 0.15 -1.66 0.24 0.00 0.00 174.94 173.23 3mkk s TRP 417 N -2.77 2.98 -1.48 1.37 -2.14 -1.04 -3.61 118.94 112.25 3mkk s TRP 417 Ca 0.04 -0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.64 3mkk s TRP 417 Cb -0.01 -1.39 0.02 0.00 -3.10 0.00 0.00 33.47 28.99 3mkk s TRP 417 CO -0.03 0.51 0.77 -1.33 -2.66 0.00 0.00 176.95 174.21 3mkk n MET 418 N -1.12 1.06 0.00 3.25 2.81 0.25 -4.73 117.12 118.64 3mkk n MET 418 Ca -0.07 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 3mkk n MET 418 Cb 0.58 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 3mkk n MET 418 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mkk n GLY 419 N 0.27 -0.50 3.44 3.03 0.00 -1.26 -4.57 105.19 105.60 3mkk n GLY 419 Ca 0.01 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 3mkk n GLY 419 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mkk s ASP 420 N -4.00 6.75 0.49 1.61 1.01 -1.26 -4.61 116.67 116.66 3mkk s ASP 420 Ca 0.00 -2.34 0.00 0.00 0.71 0.00 0.00 52.55 50.92 3mkk s ASP 420 Cb 0.00 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.55 3mkk s ASP 420 CO 0.00 -0.93 0.00 -0.46 0.21 0.00 0.00 175.17 173.99 3mkk n ASN 421 N 6.02 0.00 -4.17 0.27 6.94 -1.26 -4.47 115.26 118.58 3mkk n ASN 421 Ca 0.26 -0.74 -0.12 0.00 -0.02 0.00 0.00 54.58 53.95 3mkk n ASN 421 Cb 0.47 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 3mkk n ASN 421 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3mkk s LYS 422 N -1.70 0.85 -1.35 -3.83 -0.14 -1.26 -1.39 119.74 110.92 3mkk s LYS 422 Ca 0.00 -1.25 -0.10 0.00 -1.36 0.00 0.00 55.97 53.26 3mkk s LYS 422 Cb 0.00 -0.38 -0.06 0.00 -1.68 0.00 0.00 37.83 35.71 3mkk s LYS 422 CO 0.00 0.03 2.54 0.43 -0.76 0.00 0.00 175.35 177.60 3mkk n SER 423 N 0.25 6.53 -4.36 2.83 7.64 -0.27 -4.32 113.62 121.91 3mkk n SER 423 Ca -0.14 -2.55 -0.31 0.00 1.01 0.00 0.00 58.87 56.88 3mkk n SER 423 Cb 0.59 -1.41 -0.15 0.00 -1.01 0.00 0.00 64.21 62.23 3mkk n SER 423 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3mkk s TRP 424 N 2.87 2.42 0.32 1.43 0.51 -1.26 -4.76 118.94 120.47 3mkk s TRP 424 Ca 0.57 -0.37 0.02 0.00 -2.12 0.00 0.00 56.10 54.21 3mkk s TRP 424 Cb 0.15 -1.50 0.59 0.00 -0.81 0.00 0.00 33.47 31.91 3mkk s TRP 424 CO -0.04 0.06 1.92 -1.49 -0.51 0.00 0.00 176.95 176.89 3mkk h TRP 425 N 5.22 0.97 0.00 -1.98 4.06 -1.89 -0.79 115.95 121.55 3mkk h TRP 425 Ca -0.45 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.53 3mkk h TRP 425 Cb 1.13 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 3mkk h TRP 425 CO 0.44 0.50 0.00 0.66 -3.56 0.00 0.00 178.44 176.48 3mkk h SER 426 N 0.95 0.00 1.02 -3.49 4.64 -1.95 -0.93 113.55 113.79 3mkk h SER 426 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3mkk h SER 426 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3mkk h SER 426 CO -0.14 0.00 -0.16 1.41 -0.87 0.00 0.00 176.83 177.06 3mkk n HIS 427 N -2.75 0.31 -0.01 4.77 8.25 -0.30 -1.68 115.22 123.80 3mkk n HIS 427 Ca -0.01 0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 3mkk n HIS 427 Cb 0.17 -0.59 -0.09 0.00 1.12 0.00 0.00 29.99 30.60 3mkk n HIS 427 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3mkk h ILE 428 N 0.00 1.28 -0.69 1.59 2.04 -1.22 -1.74 117.51 118.77 3mkk h ILE 428 Ca 0.00 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 3mkk h ILE 428 Cb 0.59 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 3mkk h ILE 428 CO 0.00 0.23 0.28 0.25 0.00 0.00 0.00 178.15 178.90 3mkk h LEU 429 N -0.28 0.94 -0.77 1.44 5.85 -1.61 -0.98 115.31 119.89 3mkk h LEU 429 Ca 0.01 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3mkk h LEU 429 Cb 0.37 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3mkk h LEU 429 CO 0.00 0.83 0.29 0.25 -0.34 0.00 0.00 178.44 179.48 3mkk h LEU 430 N 1.00 1.08 -0.30 2.25 5.85 -1.31 0.30 115.31 124.17 3mkk h LEU 430 Ca 0.23 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3mkk h LEU 430 Cb 0.19 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3mkk h LEU 430 CO -0.02 0.97 0.20 -1.13 -0.34 0.00 0.00 178.44 178.11 3mkk h ASN 431 N 1.12 0.34 0.47 1.25 -0.00 -0.77 -2.52 115.58 115.48 3mkk h ASN 431 Ca 0.25 -0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.53 3mkk h ASN 431 Cb 0.24 -0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 38.47 3mkk h ASN 431 CO -0.02 0.25 -0.26 0.25 -0.00 0.00 0.00 177.43 177.65 3mkk h LEU 432 N 0.40 -0.64 -1.50 0.34 5.85 -0.81 -3.22 115.31 115.74 3mkk h LEU 432 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3mkk h LEU 432 Cb -0.04 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3mkk h LEU 432 CO -0.03 -0.42 0.22 0.11 -0.34 0.00 0.00 178.44 177.98 3mkk h LYS 433 N -0.68 0.56 0.00 1.25 1.57 -0.85 -2.79 116.57 115.62 3mkk h LYS 433 Ca -0.06 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3mkk h LYS 433 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3mkk h LYS 433 CO 0.08 0.42 -0.41 0.52 -0.57 0.00 0.00 179.45 179.48 3mkk h MET 434 N 0.57 0.00 0.30 3.15 2.86 -1.46 -3.36 114.93 116.98 3mkk h MET 434 Ca 0.15 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3mkk h MET 434 Cb 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 3mkk h MET 434 CO -0.02 0.41 -0.52 -0.07 1.06 0.00 0.00 176.91 177.77 3mkk h LEU 435 N 0.00 -1.50 -1.16 1.22 3.38 -1.52 -0.17 115.31 115.56 3mkk h LEU 435 Ca -0.00 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3mkk h LEU 435 Cb 0.77 0.53 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3mkk h LEU 435 CO 0.05 -0.61 0.58 1.55 0.09 0.00 0.00 178.44 180.11 3mkk h PRO 436 N -0.87 1.03 -0.74 1.13 0.13 -1.76 -1.00 132.00 129.92 3mkk h PRO 436 Ca -0.03 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 3mkk h PRO 436 Cb 0.81 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 3mkk h PRO 436 CO -0.18 0.68 0.30 0.77 -0.23 0.00 0.00 178.00 179.34 3mkk h SER 437 N 1.06 1.02 -0.73 1.44 0.02 -1.68 -0.95 113.55 113.72 3mkk h SER 437 Ca 0.37 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3mkk h SER 437 Cb 0.11 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3mkk h SER 437 CO -0.12 0.91 0.39 -0.07 -1.14 0.00 0.00 176.83 176.79 3mkk h LEU 438 N 1.06 0.93 -0.85 5.07 3.38 -0.28 -2.76 115.31 121.86 3mkk h LEU 438 Ca 0.25 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3mkk h LEU 438 Cb 0.20 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3mkk h LEU 438 CO -0.02 0.77 0.56 0.78 0.09 0.00 0.00 178.44 180.61 3mkk h ASN 439 N 1.02 0.94 -0.28 -0.43 2.35 -0.68 -0.76 115.58 117.74 3mkk h ASN 439 Ca 0.26 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.08 3mkk h ASN 439 Cb 0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3mkk h ASN 439 CO -0.04 0.66 0.22 0.24 -1.65 0.00 0.00 177.43 176.86 3mkk h MET 440 N 1.10 0.00 -0.35 0.81 2.86 -0.90 -2.24 114.93 116.22 3mkk h MET 440 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3mkk h MET 440 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3mkk h MET 440 CO -0.10 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.87 3mkk n GLY 442 N 1.30 1.56 3.47 0.00 0.00 -0.84 -4.79 105.19 105.88 3mkk n GLY 442 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3mkk n GLY 442 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mkk s PHE 443 N -2.39 2.76 -0.21 1.61 0.08 -0.38 -4.65 117.98 114.79 3mkk s PHE 443 Ca 0.00 -0.77 -0.00 0.00 0.12 0.00 0.00 56.93 56.28 3mkk s PHE 443 Cb 0.00 -4.34 -0.20 0.00 -0.57 0.00 0.00 43.02 37.91 3mkk s PHE 443 CO 0.00 -1.66 -0.03 -1.33 -0.10 0.00 0.00 175.22 172.11 3mkk n MET 444 N 7.59 0.68 -2.59 0.44 2.81 -1.26 -3.04 117.12 121.76 3mkk n MET 444 Ca 0.07 0.18 -0.41 0.00 -1.81 0.00 0.00 57.70 55.73 3mkk n MET 444 Cb 0.47 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 3mkk n MET 444 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3mkk s TYR 445 N -2.53 2.46 0.21 2.03 5.04 -1.26 -4.68 117.35 118.61 3mkk s TYR 445 Ca -0.30 -0.53 -0.14 0.00 -2.44 0.00 0.00 57.07 53.66 3mkk s TYR 445 Cb 0.08 -4.63 0.01 0.00 0.35 0.00 0.00 41.96 37.77 3mkk s TYR 445 CO 0.66 -1.96 0.45 -0.08 -1.34 0.00 0.00 175.55 173.28 3mkk s THR 446 N 5.13 0.03 0.00 4.34 -1.32 -1.26 -2.30 115.64 120.26 3mkk s THR 446 Ca 0.40 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 3mkk s THR 446 Cb -0.04 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 3mkk s THR 446 CO 0.01 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 3mkk n GLY 447 N -0.32 -0.15 3.55 6.08 0.00 -1.24 -1.97 105.19 111.14 3mkk n GLY 447 Ca -0.06 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 3mkk n GLY 447 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mkk s ALA 448 N -2.00 2.89 -0.52 4.61 0.00 -1.26 -0.58 121.76 124.90 3mkk s ALA 448 Ca 0.00 -2.14 -0.27 0.00 0.00 0.00 0.00 51.96 49.55 3mkk s ALA 448 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3mkk s ALA 448 CO 0.00 -0.04 1.78 -0.51 0.00 0.00 0.00 175.76 176.98 3mkk s ASP 449 N -3.61 5.58 0.04 0.00 1.01 -1.26 -4.44 116.67 113.99 3mkk s ASP 449 Ca 0.33 0.62 -0.31 0.00 0.71 0.00 0.00 52.55 53.90 3mkk s ASP 449 Cb 0.06 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 3mkk s ASP 449 CO 0.16 -2.08 1.55 -0.76 0.21 0.00 0.00 175.17 174.25 3mkk s LEU 450 N 8.01 4.35 0.00 1.23 1.43 0.67 -0.97 118.68 133.39 3mkk s LEU 450 Ca 0.69 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 3mkk s LEU 450 Cb -0.15 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3mkk s LEU 450 CO 0.25 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.62 3mkk n GLY 451 N 3.86 2.57 0.09 -3.19 0.00 -1.26 -3.82 105.19 103.43 3mkk n GLY 451 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3mkk n GLY 451 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mkk n GLY 452 N -1.82 0.09 0.33 -0.02 0.00 -0.14 -4.23 105.19 99.39 3mkk n GLY 452 Ca 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 3mkk n GLY 452 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mkk h PHE 453 N 0.00 -0.72 -2.08 1.61 3.04 -1.67 -3.40 116.94 113.72 3mkk h PHE 453 Ca 0.00 -0.02 -0.44 0.00 3.98 0.00 0.00 57.97 61.49 3mkk h PHE 453 Cb 0.00 0.24 0.02 0.00 2.56 0.00 0.00 35.95 38.77 3mkk h PHE 453 CO 0.00 -0.39 -0.22 0.20 -2.02 0.00 0.00 178.31 175.87 3mkk s GLY 454 N -2.50 1.68 0.19 2.40 0.00 -0.49 -0.84 107.32 107.75 3mkk s GLY 454 Ca -0.14 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3mkk s GLY 454 CO 0.48 -1.23 0.00 1.22 0.00 0.00 0.00 173.10 173.57 3mkk n ASP 455 N -1.88 -6.56 -4.61 1.64 10.43 -1.26 -1.11 116.55 113.20 3mkk n ASP 455 Ca 0.03 0.88 -0.36 0.00 2.57 0.00 0.00 54.79 57.91 3mkk n ASP 455 Cb 0.58 -2.46 -0.10 0.00 1.84 0.00 0.00 41.12 40.98 3mkk n ASP 455 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3mkk s ASP 456 N -5.59 5.71 0.86 -2.24 -0.00 -1.26 -4.54 116.67 109.61 3mkk s ASP 456 Ca 0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 52.55 52.50 3mkk s ASP 456 Cb 0.00 -2.01 0.18 0.00 -0.00 0.00 0.00 42.92 41.09 3mkk s ASP 456 CO 0.00 0.10 1.18 0.28 -0.00 0.00 0.00 175.17 176.72 3mkk s THR 457 N 0.85 2.03 0.13 -1.27 -1.32 -1.26 -4.83 115.64 109.96 3mkk s THR 457 Ca 0.05 -0.31 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 3mkk s THR 457 Cb -0.13 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 68.09 3mkk s THR 457 CO 0.03 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 172.82 3mkk s THR 458 N -3.55 0.66 0.17 5.08 -4.23 -1.26 -5.00 115.64 107.51 3mkk s THR 458 Ca 0.71 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.11 3mkk s THR 458 Cb -0.04 -1.87 0.09 0.00 1.34 0.00 0.00 72.50 72.02 3mkk s THR 458 CO 0.49 -0.70 1.68 -0.09 -0.54 0.00 0.00 174.62 175.47 3mkk h ARG 459 N 2.85 0.06 -0.55 3.99 2.43 -1.99 -1.43 114.38 119.73 3mkk h ARG 459 Ca -0.36 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.72 3mkk h ARG 459 Cb 1.18 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3mkk h ARG 459 CO 0.64 0.04 0.01 0.38 -1.51 0.00 0.00 179.97 179.53 3mkk h ASP 460 N 0.06 0.91 -0.61 -3.80 2.03 -1.99 -1.52 116.42 111.50 3mkk h ASP 460 Ca 0.20 -0.24 -0.07 0.00 -0.73 0.00 0.00 57.03 56.20 3mkk h ASP 460 Cb 0.30 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 3mkk h ASP 460 CO -0.38 0.96 0.12 0.25 -1.03 0.00 0.00 179.24 179.17 3mkk h LEU 461 N 0.87 0.95 0.06 0.15 5.85 -1.84 -1.29 115.31 120.05 3mkk h LEU 461 Ca 0.16 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3mkk h LEU 461 Cb 0.50 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3mkk h LEU 461 CO 0.02 0.95 -0.03 0.25 -0.34 0.00 0.00 178.44 179.29 3mkk h LEU 462 N 0.90 -0.07 -0.93 2.25 5.85 -1.04 -0.61 115.31 121.67 3mkk h LEU 462 Ca 0.19 -0.15 0.15 0.00 0.84 0.00 0.00 57.88 58.91 3mkk h LEU 462 Cb 0.39 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 3mkk h LEU 462 CO 0.01 0.11 0.53 -0.07 -0.34 0.00 0.00 178.44 178.68 3mkk h LEU 463 N -0.24 0.70 -0.29 2.25 3.38 -1.14 0.23 115.31 120.20 3mkk h LEU 463 Ca -0.01 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3mkk h LEU 463 Cb 0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3mkk h LEU 463 CO 0.01 0.31 -0.28 0.03 0.09 0.00 0.00 178.44 178.60 3mkk h ARG 464 N 0.75 0.70 -0.41 1.13 2.47 -0.82 -2.23 114.38 115.96 3mkk h ARG 464 Ca 0.50 -0.36 0.04 0.00 -1.26 0.00 0.00 59.98 58.89 3mkk h ARG 464 Cb 0.67 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 3mkk h ARG 464 CO -0.34 0.98 0.19 0.74 0.56 0.00 0.00 179.97 182.10 3mkk h PHE 465 N 0.44 0.35 -0.69 3.04 0.04 -0.62 -2.84 116.94 116.66 3mkk h PHE 465 Ca 0.05 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.87 3mkk h PHE 465 Cb 0.84 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.85 3mkk h PHE 465 CO 0.07 0.17 0.43 -0.07 -0.60 0.00 0.00 178.31 178.31 3mkk h LEU 466 N 0.39 0.69 -2.06 1.54 3.38 -0.90 0.14 115.31 118.49 3mkk h LEU 466 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3mkk h LEU 466 Cb 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3mkk h LEU 466 CO -0.14 0.48 -0.09 0.00 0.09 0.00 0.00 178.44 178.78 3mkk h ALA 467 N 1.30 1.30 0.20 1.53 0.00 -1.17 0.24 119.26 122.65 3mkk h ALA 467 Ca 0.28 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.84 3mkk h ALA 467 Cb 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.84 3mkk h ALA 467 CO -0.12 0.11 -1.25 1.25 0.00 0.00 0.00 179.25 179.24 3mkk h LEU 468 N 0.00 0.65 -1.66 0.00 5.85 -1.24 -3.33 115.31 115.57 3mkk h LEU 468 Ca -0.00 -0.93 0.28 0.00 0.84 0.00 0.00 57.88 58.07 3mkk h LEU 468 Cb 0.26 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3mkk h LEU 468 CO 0.01 1.59 0.71 1.23 -0.34 0.00 0.00 178.44 181.64 3mkk h GLY 469 N -0.01 0.63 -0.71 3.75 0.00 0.13 -1.81 103.07 105.06 3mkk h GLY 469 Ca -0.23 -0.11 0.38 0.00 0.00 0.00 0.00 47.33 47.37 3mkk h GLY 469 CO 0.20 -0.06 0.90 -2.08 0.00 0.00 0.00 176.54 175.50 3mkk h VAL 470 N 0.22 0.32 0.00 4.60 2.07 -0.75 -2.31 116.25 120.39 3mkk h VAL 470 Ca 0.54 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 68.03 3mkk h VAL 470 Cb 1.71 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3mkk h VAL 470 CO -0.15 0.02 -0.98 0.49 0.02 0.00 0.00 177.57 176.97 3mkk n PHE 471 N -4.34 0.00 -3.38 1.57 3.72 -0.68 -4.74 117.46 109.60 3mkk n PHE 471 Ca 0.31 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.33 3mkk n PHE 471 Cb 1.32 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 39.69 3mkk n PHE 471 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3mkk s THR 472 N -2.54 5.11 0.18 4.37 -4.23 -0.87 -4.99 115.64 112.67 3mkk s THR 472 Ca 0.02 0.92 -0.19 0.00 -1.18 0.00 0.00 61.69 61.26 3mkk s THR 472 Cb 0.10 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 70.28 3mkk s THR 472 CO 0.58 0.43 1.62 -0.65 -0.54 0.00 0.00 174.62 176.06 3mkk h PRO 473 N 5.91 -0.12 -6.62 3.99 0.11 -1.83 -3.22 132.00 130.22 3mkk h PRO 473 Ca -0.45 0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.11 3mkk h PRO 473 Cb 1.19 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3mkk h PRO 473 CO 0.70 -0.08 0.99 -1.17 -0.21 0.00 0.00 178.00 178.23 3mkk s LEU 474 N -10.67 3.56 -0.43 2.35 2.96 -0.83 -4.58 118.68 111.03 3mkk s LEU 474 Ca -0.14 0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3mkk s LEU 474 Cb 0.15 -3.42 0.12 0.00 0.50 0.00 0.00 46.19 43.54 3mkk s LEU 474 CO 0.70 -1.39 0.22 -0.32 -1.32 0.00 0.00 176.35 174.24 3mkk s MET 475 N 4.78 2.01 -0.04 1.98 -2.45 -1.22 -4.23 119.30 120.13 3mkk s MET 475 Ca 0.50 -1.95 -0.02 0.00 -1.25 0.00 0.00 55.69 52.97 3mkk s MET 475 Cb -0.09 -3.55 0.03 0.00 1.25 0.00 0.00 34.83 32.47 3mkk s MET 475 CO 0.30 -1.07 0.05 0.50 1.05 0.00 0.00 175.02 175.85 3mkk s ARG 476 N 0.90 0.02 -0.43 4.11 3.52 -1.26 -1.25 118.95 124.56 3mkk s ARG 476 Ca 0.10 0.33 -0.26 0.00 -0.13 0.00 0.00 55.73 55.77 3mkk s ARG 476 Cb -0.22 -0.56 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 3mkk s ARG 476 CO -0.04 -0.32 0.98 0.34 -0.81 0.00 0.00 175.30 175.44 3mkk s ASP 477 N 2.09 6.60 0.05 -2.12 -1.08 -0.74 -0.24 116.67 121.24 3mkk s ASP 477 Ca 0.04 0.38 0.03 0.00 -0.52 0.00 0.00 52.55 52.48 3mkk s ASP 477 Cb -0.12 -2.48 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 3mkk s ASP 477 CO -0.03 -1.02 -0.09 -2.28 0.52 0.00 0.00 175.17 172.26 3mkk s HIS 478 N 3.81 0.77 0.01 -5.34 2.46 -1.25 -0.67 115.29 115.08 3mkk s HIS 478 Ca 0.40 -0.48 -0.05 0.00 0.47 0.00 0.00 55.06 55.40 3mkk s HIS 478 Cb -0.10 -0.46 -0.01 0.00 -0.13 0.00 0.00 32.58 31.89 3mkk s HIS 478 CO 0.25 -0.05 0.08 0.00 -2.47 0.00 0.00 174.74 172.54 3mkk s ALA 479 N -1.32 -0.18 0.65 1.58 0.00 -1.20 -3.95 121.76 117.35 3mkk s ALA 479 Ca -0.08 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 3mkk s ALA 479 Cb -0.10 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3mkk s ALA 479 CO 0.01 -0.19 1.04 0.00 0.00 0.00 0.00 175.76 176.62 3mkk s ALA 480 N -1.37 2.89 0.53 0.00 0.00 -0.02 -1.05 121.76 122.74 3mkk s ALA 480 Ca -0.15 0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 3mkk s ALA 480 Cb -0.08 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3mkk s ALA 480 CO 0.01 -0.94 1.35 -1.83 0.00 0.00 0.00 175.76 174.35 3mkk s GLU 481 N -5.08 3.24 0.00 0.00 -1.05 -1.22 -2.90 118.70 111.69 3mkk s GLU 481 Ca 0.57 2.22 0.00 0.00 -0.15 0.00 0.00 54.97 57.60 3mkk s GLU 481 Cb -0.13 -2.31 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 3mkk s GLU 481 CO 0.54 -1.11 0.00 0.41 0.95 0.00 0.00 175.26 176.05 3mkk n GLY 482 N 0.69 2.09 3.91 -3.83 0.00 -1.26 -5.01 105.19 101.79 3mkk n GLY 482 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3mkk n GLY 482 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mkk s THR 483 N -3.39 4.86 0.19 2.61 -4.23 -1.14 -5.01 115.64 109.53 3mkk s THR 483 Ca 0.00 0.18 -0.33 0.00 -1.18 0.00 0.00 61.69 60.36 3mkk s THR 483 Cb 0.00 -3.85 -0.14 0.00 1.34 0.00 0.00 72.50 69.85 3mkk s THR 483 CO 0.00 -0.83 1.42 -1.14 -0.54 0.00 0.00 174.62 173.53 3mkk n ARG 484 N -2.27 1.87 -1.76 3.99 0.63 -1.26 -4.89 116.66 112.98 3mkk n ARG 484 Ca 0.01 0.67 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 3mkk n ARG 484 Cb 0.55 -2.34 -0.03 0.00 0.45 0.00 0.00 32.46 31.09 3mkk n ARG 484 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3mkk s GLU 485 N 0.09 4.14 -0.09 -0.14 2.02 -1.26 -4.74 118.70 118.71 3mkk s GLU 485 Ca 0.74 2.58 0.14 0.00 0.02 0.00 0.00 54.97 58.44 3mkk s GLU 485 Cb -0.71 -3.10 0.29 0.00 0.10 0.00 0.00 34.13 30.71 3mkk s GLU 485 CO 0.46 -0.74 1.14 0.00 0.02 0.00 0.00 175.26 176.14 3mkk n GLN 486 N 4.04 0.77 -1.68 1.61 10.64 -1.26 -4.87 117.38 126.63 3mkk n GLN 486 Ca 0.16 -2.28 -0.36 0.00 -1.83 0.00 0.00 57.00 52.69 3mkk n GLN 486 Cb 0.36 -0.95 0.07 0.00 -0.86 0.00 0.00 30.24 28.86 3mkk n GLN 486 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3mkk s GLU 487 N -1.63 2.47 0.55 2.61 8.01 -1.26 -4.90 118.70 124.55 3mkk s GLU 487 Ca 0.27 1.94 0.24 0.00 0.01 0.00 0.00 54.97 57.42 3mkk s GLU 487 Cb 0.27 -1.85 1.54 0.00 -4.31 0.00 0.00 34.13 29.78 3mkk s GLU 487 CO -0.05 -1.63 2.19 0.00 0.01 0.00 0.00 175.26 175.78 3mkk n TYR 489 N -4.11 0.00 1.29 0.00 4.11 -1.26 -3.64 117.16 113.55 3mkk n TYR 489 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 57.99 3mkk n TYR 489 Cb 0.11 -0.07 0.65 0.00 -0.00 0.00 0.00 39.34 40.02 3mkk n TYR 489 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3mkk n GLN 490 N -0.74 0.53 -4.42 -3.48 1.13 -0.68 -4.90 117.38 104.83 3mkk n GLN 490 Ca 0.20 0.04 -0.22 0.00 -1.94 0.00 0.00 57.00 55.07 3mkk n GLN 490 Cb 0.22 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 28.97 3mkk n GLN 490 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3mkk s PHE 491 N -2.30 2.07 0.83 1.08 0.08 -1.24 -5.07 117.98 113.45 3mkk s PHE 491 Ca 0.29 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 3mkk s PHE 491 Cb 0.16 -0.93 0.09 0.00 -0.57 0.00 0.00 43.02 41.77 3mkk s PHE 491 CO 0.32 0.57 1.09 -1.83 -0.10 0.00 0.00 175.22 175.26 3mkk s GLU 492 N -3.46 1.77 -1.18 0.44 1.03 -1.26 -4.25 118.70 111.79 3mkk s GLU 492 Ca 0.26 0.93 -0.12 0.00 0.03 0.00 0.00 54.97 56.07 3mkk s GLU 492 Cb -0.04 -1.86 -0.02 0.00 -0.80 0.00 0.00 34.13 31.41 3mkk s GLU 492 CO 0.12 -1.91 0.77 0.09 -1.33 0.00 0.00 175.26 172.99 3mkk n ASN 493 N -3.67 -4.27 0.13 0.83 4.13 -1.26 -4.85 115.26 106.30 3mkk n ASN 493 Ca 0.08 -0.91 0.12 0.00 1.68 0.00 0.00 54.58 55.54 3mkk n ASN 493 Cb 0.54 -3.86 0.49 0.00 -1.54 0.00 0.00 39.78 35.41 3mkk n ASN 493 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3mkk n ILE 494 N -4.04 0.84 -0.32 2.41 -5.35 -1.26 -2.12 119.36 109.52 3mkk n ILE 494 Ca -0.15 0.24 0.25 0.00 -0.27 0.00 0.00 62.75 62.82 3mkk n ILE 494 Cb 0.62 -1.17 0.55 0.00 -1.74 0.00 0.00 39.64 37.91 3mkk n ILE 494 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 3mkk h GLU 495 N 0.00 0.31 -0.28 6.28 9.09 -1.94 -1.00 114.58 127.04 3mkk h GLU 495 Ca 0.00 -0.02 -0.09 0.00 0.05 0.00 0.00 59.36 59.30 3mkk h GLU 495 Cb 0.35 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 3mkk h GLU 495 CO 0.00 0.20 -0.20 -0.44 0.05 0.00 0.00 179.01 178.63 3mkk h ASP 496 N 0.32 0.52 -0.06 3.06 3.32 -1.78 -0.55 116.42 121.24 3mkk h ASP 496 Ca 0.59 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 57.31 3mkk h ASP 496 Cb 1.65 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 3mkk h ASP 496 CO -0.25 0.73 -0.55 -0.26 -1.72 0.00 0.00 179.24 177.18 3mkk h PHE 497 N 0.47 0.81 0.16 4.55 0.04 -1.40 -1.91 116.94 119.65 3mkk h PHE 497 Ca 0.08 -0.29 -0.00 0.00 2.80 0.00 0.00 57.97 60.56 3mkk h PHE 497 Cb 0.61 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3mkk h PHE 497 CO 0.02 1.05 -0.11 -0.09 -0.60 0.00 0.00 178.31 178.58 3mkk h ARG 498 N 0.49 -0.26 -0.61 1.51 2.43 -0.96 -2.47 114.38 114.51 3mkk h ARG 498 Ca 0.01 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3mkk h ARG 498 Cb 1.11 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 3mkk h ARG 498 CO 0.11 -0.18 0.23 0.77 -1.51 0.00 0.00 179.97 179.39 3mkk h SER 499 N -0.27 0.23 0.20 -3.80 0.02 -0.97 0.43 113.55 109.38 3mkk h SER 499 Ca -0.01 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3mkk h SER 499 Cb 0.24 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3mkk h SER 499 CO 0.00 0.14 -0.10 0.58 -1.14 0.00 0.00 176.83 176.31 3mkk h VAL 500 N 0.41 0.89 -0.87 2.27 2.07 -1.32 -2.49 116.25 117.21 3mkk h VAL 500 Ca 0.30 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3mkk h VAL 500 Cb 0.37 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3mkk h VAL 500 CO -0.30 0.15 0.54 0.40 0.02 0.00 0.00 177.57 178.38 3mkk h ILE 501 N -0.63 1.24 -0.96 4.57 1.08 -1.36 -2.42 117.51 119.02 3mkk h ILE 501 Ca -0.03 -0.49 0.20 0.00 -0.39 0.00 0.00 64.86 64.15 3mkk h ILE 501 Cb 0.46 -0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.09 3mkk h ILE 501 CO 0.05 0.24 0.54 0.78 -0.69 0.00 0.00 178.15 179.07 3mkk h ASN 502 N 1.19 0.64 -0.71 1.72 2.35 -0.04 -1.28 115.58 119.45 3mkk h ASN 502 Ca 0.31 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.17 3mkk h ASN 502 Cb -0.07 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3mkk h ASN 502 CO -0.06 0.18 0.40 0.00 -1.65 0.00 0.00 177.43 176.30 3mkk h ALA 503 N 1.66 0.91 -0.14 -0.83 0.00 -0.97 -0.84 119.26 119.06 3mkk h ALA 503 Ca 0.57 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.42 3mkk h ALA 503 Cb 0.96 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3mkk h ALA 503 CO -0.43 0.41 -0.43 -0.09 0.00 0.00 0.00 179.25 178.72 3mkk h ARG 504 N 0.98 -0.47 -0.47 0.00 9.65 -1.21 -1.60 114.38 121.26 3mkk h ARG 504 Ca 0.25 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.12 3mkk h ARG 504 Cb 0.01 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3mkk h ARG 504 CO -0.04 -0.32 0.09 1.88 2.80 0.00 0.00 179.97 184.38 3mkk h TYR 505 N -0.49 0.74 0.00 2.20 -1.99 -1.19 -1.27 116.97 114.97 3mkk h TYR 505 Ca 0.07 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 3mkk h TYR 505 Cb 0.63 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 3mkk h TYR 505 CO -0.49 0.64 -0.19 0.00 -0.00 0.00 0.00 178.16 178.12 3mkk h ARG 506 N 0.69 0.00 -0.01 4.88 3.08 -0.95 -2.99 114.38 119.08 3mkk h ARG 506 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3mkk h ARG 506 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3mkk h ARG 506 CO 0.00 0.19 -0.36 1.28 -1.07 0.00 0.00 179.97 180.02 3mkk n LEU 507 N -4.18 1.78 -0.17 3.04 4.77 -0.58 -2.01 117.00 119.65 3mkk n LEU 507 Ca -0.02 -0.62 -0.02 0.00 -0.03 0.00 0.00 56.01 55.32 3mkk n LEU 507 Cb 0.26 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3mkk n LEU 507 CO 0.36 0.33 0.96 0.58 -1.33 0.00 0.00 177.39 178.28 3mkk h VAL 508 N 2.22 0.80 -0.99 4.08 2.07 -1.12 0.21 116.25 123.52 3mkk h VAL 508 Ca 0.00 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3mkk h VAL 508 Cb 0.69 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 3mkk h VAL 508 CO 0.00 0.06 0.63 -0.65 0.02 0.00 0.00 177.57 177.63 3mkk h PRO 509 N 0.34 0.98 -0.09 1.57 0.11 -1.80 0.35 132.00 133.46 3mkk h PRO 509 Ca 0.25 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 3mkk h PRO 509 Cb 0.28 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3mkk h PRO 509 CO -0.27 0.65 -0.20 -0.92 -0.21 0.00 0.00 178.00 177.06 3mkk h TYR 510 N 1.01 0.36 -0.27 0.65 3.20 -1.25 -1.17 116.97 119.51 3mkk h TYR 510 Ca 0.47 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3mkk h TYR 510 Cb 0.42 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3mkk h TYR 510 CO -0.00 0.81 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.19 3mkk h LEU 511 N -0.18 0.53 -0.20 2.82 3.38 -0.22 0.02 115.31 121.46 3mkk h LEU 511 Ca -0.00 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3mkk h LEU 511 Cb 0.79 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3mkk h LEU 511 CO 0.04 0.78 -0.04 0.22 0.09 0.00 0.00 178.44 179.53 3mkk h TYR 512 N 0.28 -0.08 -0.37 1.13 3.20 -0.42 0.20 116.97 120.90 3mkk h TYR 512 Ca 0.07 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.03 3mkk h TYR 512 Cb 0.54 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.80 3mkk h TYR 512 CO 0.05 -0.07 -0.13 1.03 -1.64 0.00 0.00 178.16 177.40 3mkk h SER 513 N 0.02 -0.46 -0.22 -2.11 0.87 -0.81 -1.00 113.55 109.84 3mkk h SER 513 Ca 0.10 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 3mkk h SER 513 Cb 0.14 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3mkk h SER 513 CO -0.20 -0.16 -0.25 -0.33 -0.53 0.00 0.00 176.83 175.36 3mkk h GLU 514 N -0.05 0.70 -0.19 2.24 4.39 -0.75 -0.72 114.58 120.19 3mkk h GLU 514 Ca 0.18 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3mkk h GLU 514 Cb 0.33 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3mkk h GLU 514 CO -0.41 0.88 0.12 -0.92 -1.16 0.00 0.00 179.01 177.51 3mkk h TYR 515 N 0.60 0.26 -0.27 4.33 3.20 -0.64 -1.01 116.97 123.45 3mkk h TYR 515 Ca 0.08 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3mkk h TYR 515 Cb 0.75 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3mkk h TYR 515 CO 0.04 0.21 0.06 0.52 -1.64 0.00 0.00 178.16 177.34 3mkk h MET 516 N 0.23 0.43 -0.70 1.82 2.86 -0.81 0.25 114.93 119.00 3mkk h MET 516 Ca 0.07 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3mkk h MET 516 Cb 0.03 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3mkk h MET 516 CO -0.01 0.54 0.44 0.87 1.06 0.00 0.00 176.91 179.80 3mkk h LYS 517 N 0.26 0.84 -0.23 1.72 1.57 -1.13 -0.93 116.57 118.66 3mkk h LYS 517 Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3mkk h LYS 517 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3mkk h LYS 517 CO 0.00 0.56 -0.04 0.00 -0.57 0.00 0.00 179.45 179.40 3mkk h ALA 518 N 1.30 0.32 -0.68 3.86 0.00 -0.89 -2.83 119.26 120.34 3mkk h ALA 518 Ca 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3mkk h ALA 518 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3mkk h ALA 518 CO -0.10 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.54 3mkk h ALA 519 N 0.77 0.88 0.00 0.00 0.00 -0.29 0.19 119.26 120.80 3mkk h ALA 519 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mkk h ALA 519 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mkk h ALA 519 CO 0.02 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 3mkk h LEU 520 N 0.96 0.00 -3.11 0.00 3.38 -1.15 -3.06 115.31 112.33 3mkk h LEU 520 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3mkk h LEU 520 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3mkk h LEU 520 CO -0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.10 3mkk n ASN 521 N -2.75 3.11 -4.02 -0.43 3.02 -1.07 -4.99 115.26 108.14 3mkk n ASN 521 Ca 0.03 -2.81 -0.31 0.00 -0.03 0.00 0.00 54.58 51.46 3mkk n ASN 521 Cb 0.37 -0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3mkk n ASN 521 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mkk n ASP 522 N -0.66 -3.04 -4.77 6.41 8.00 -0.88 -4.98 116.55 116.63 3mkk n ASP 522 Ca 0.16 -0.91 -0.27 0.00 0.71 0.00 0.00 54.79 54.47 3mkk n ASP 522 Cb 0.69 -3.32 -0.06 0.00 -0.02 0.00 0.00 41.12 38.41 3mkk n ASP 522 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mkk s ASP 523 N -3.61 4.33 -0.06 -2.24 -1.08 0.62 -4.62 116.67 110.01 3mkk s ASP 523 Ca 0.50 -1.29 -0.11 0.00 -0.52 0.00 0.00 52.55 51.13 3mkk s ASP 523 Cb -0.26 -0.03 -0.05 0.00 -1.46 0.00 0.00 42.92 41.12 3mkk s ASP 523 CO 0.88 -0.73 0.28 -0.04 0.52 0.00 0.00 175.17 176.07 3mkk s MET 524 N -3.96 3.70 -0.11 4.34 -1.94 -1.26 -4.48 119.30 115.60 3mkk s MET 524 Ca 0.30 0.14 -0.21 0.00 -1.71 0.00 0.00 55.69 54.22 3mkk s MET 524 Cb 0.03 -3.21 -0.27 0.00 2.01 0.00 0.00 34.83 33.39 3mkk s MET 524 CO 0.17 0.72 0.64 -0.92 -0.01 0.00 0.00 175.02 175.61 3mkk h TYR 525 N 4.90 0.32 -3.35 -0.03 3.20 -1.93 -3.41 116.97 116.67 3mkk h TYR 525 Ca -0.53 -0.23 -0.66 0.00 3.14 0.00 0.00 58.73 60.45 3mkk h TYR 525 Cb 1.22 -0.01 -0.17 0.00 1.54 0.00 0.00 36.73 39.31 3mkk h TYR 525 CO 0.73 1.37 -0.64 -0.06 -1.64 0.00 0.00 178.16 177.93 3mkk s PHE 526 N -2.40 3.11 0.00 -3.82 0.08 -1.26 -0.49 117.98 113.20 3mkk s PHE 526 Ca -0.19 0.02 0.03 0.00 0.12 0.00 0.00 56.93 56.91 3mkk s PHE 526 Cb 0.02 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3mkk s PHE 526 CO 0.74 0.28 -0.11 0.15 -0.10 0.00 0.00 175.22 176.18 3mkk s LYS 527 N -0.38 0.85 0.64 0.44 1.02 0.20 -4.59 119.74 117.91 3mkk s LYS 527 Ca 0.07 -0.46 -0.18 0.00 0.02 0.00 0.00 55.97 55.42 3mkk s LYS 527 Cb -0.12 -0.82 -0.01 0.00 -0.52 0.00 0.00 37.83 36.36 3mkk s LYS 527 CO 0.02 0.22 1.23 -2.14 -0.92 0.00 0.00 175.35 173.76 3mkk s PRO 528 N -0.48 2.68 0.38 -1.68 0.02 -1.26 -0.77 135.00 133.89 3mkk s PRO 528 Ca 0.03 1.87 0.10 0.00 0.02 0.00 0.00 61.00 63.03 3mkk s PRO 528 Cb -0.05 -1.89 0.88 0.00 0.02 0.00 0.00 34.50 33.46 3mkk s PRO 528 CO -0.00 -1.45 1.91 -0.07 -0.33 0.00 0.00 177.00 177.06 3mkk h LEU 529 N 0.53 0.57 -2.61 -5.54 4.07 -1.80 -0.63 115.31 109.89 3mkk h LEU 529 Ca -0.50 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3mkk h LEU 529 Cb 1.31 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 3mkk h LEU 529 CO 0.53 0.31 0.03 1.23 -1.08 0.00 0.00 178.44 179.46 3mkk h GLY 530 N 0.62 0.00 1.99 0.83 0.00 -1.82 0.47 103.07 105.16 3mkk h GLY 530 Ca 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.57 3mkk h GLY 530 CO -0.15 0.00 -0.74 0.74 0.00 0.00 0.00 176.54 176.39 3mkk h PHE 531 N 0.00 0.01 0.00 5.60 -1.00 -1.47 -2.98 116.94 117.11 3mkk h PHE 531 Ca 0.01 -0.01 -0.25 0.00 2.81 0.00 0.00 57.97 60.53 3mkk h PHE 531 Cb 0.06 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.58 3mkk h PHE 531 CO 0.00 0.74 -1.89 0.28 -1.61 0.00 0.00 178.31 175.84 3mkk n VAL 532 N -3.67 1.23 -3.17 -0.55 0.31 -0.74 -4.62 118.33 107.12 3mkk n VAL 532 Ca -0.01 -0.75 -0.24 0.00 -0.01 0.00 0.00 64.34 63.33 3mkk n VAL 532 Cb 0.72 -0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 32.96 3mkk n VAL 532 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3mkk n TYR 533 N -2.81 1.71 0.28 3.52 4.01 0.08 -4.96 117.16 118.99 3mkk n TYR 533 Ca -0.19 -3.87 0.15 0.00 -0.16 0.00 0.00 57.90 53.83 3mkk n TYR 533 Cb 0.97 -0.45 0.79 0.00 -0.31 0.00 0.00 39.34 40.35 3mkk n TYR 533 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3mkk h PRO 534 N 3.47 0.00 -0.01 -0.72 0.13 -1.76 -2.64 132.00 130.47 3mkk h PRO 534 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3mkk h PRO 534 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3mkk h PRO 534 CO 0.64 0.08 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.09 3mkk n ASP 535 N -3.46 1.35 -4.45 1.44 8.00 -1.26 -4.76 116.55 113.41 3mkk n ASP 535 Ca -0.02 -1.22 -0.44 0.00 0.71 0.00 0.00 54.79 53.83 3mkk n ASP 535 Cb 0.23 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 3mkk n ASP 535 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mkk s ASP 536 N -2.27 6.18 0.50 -2.24 -1.08 -1.00 -4.94 116.67 111.83 3mkk s ASP 536 Ca 0.30 -0.92 0.22 0.00 -0.52 0.00 0.00 52.55 51.63 3mkk s ASP 536 Cb 0.20 -2.22 1.33 0.00 -1.46 0.00 0.00 42.92 40.77 3mkk s ASP 536 CO 0.43 -0.66 2.07 0.11 0.52 0.00 0.00 175.17 177.64 3mkk h LYS 537 N 8.79 0.00 0.11 4.34 1.79 -1.87 -1.85 116.57 127.89 3mkk h LYS 537 Ca -0.27 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 3mkk h LYS 537 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3mkk h LYS 537 CO 0.85 0.12 -0.05 1.98 -1.08 0.00 0.00 179.45 181.27 3mkk h MET 538 N 0.00 -0.14 -0.97 3.15 4.05 -1.95 -3.35 114.93 115.72 3mkk h MET 538 Ca -0.00 0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.56 3mkk h MET 538 Cb 0.27 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.02 3mkk h MET 538 CO 0.02 0.36 0.61 0.00 0.23 0.00 0.00 176.91 178.13 3mkk h ALA 539 N -0.07 1.62 0.00 0.39 0.00 -1.81 -2.09 119.26 117.31 3mkk h ALA 539 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mkk h ALA 539 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mkk h ALA 539 CO 0.02 0.12 0.00 -0.84 0.00 0.00 0.00 179.25 178.56 3mkk h ILE 540 N 0.89 0.00 -0.02 0.00 3.07 -1.47 -2.59 117.51 117.40 3mkk h ILE 540 Ca 0.49 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.70 3mkk h ILE 540 Cb 0.58 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 3mkk h ILE 540 CO -0.25 0.00 -0.15 0.54 -1.05 0.00 0.00 178.15 177.23 3mkk n ARG 541 N -2.55 1.53 -2.09 0.16 1.74 -0.79 -4.62 116.66 110.04 3mkk n ARG 541 Ca 0.00 -1.22 -0.42 0.00 -0.77 0.00 0.00 57.85 55.44 3mkk n ARG 541 Cb 0.17 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 3mkk n ARG 541 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mkk s VAL 542 N -1.67 3.33 -0.08 1.55 1.01 -0.97 -4.90 120.40 118.66 3mkk s VAL 542 Ca 0.17 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.97 3mkk s VAL 542 Cb 0.14 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3mkk s VAL 542 CO 0.31 0.01 0.42 -0.62 0.00 0.00 0.00 175.10 175.22 3mkk n GLU 543 N 5.11 0.67 -0.35 2.72 1.02 -1.26 -4.61 120.64 123.94 3mkk n GLU 543 Ca 0.14 -0.43 0.07 0.00 -0.02 0.00 0.00 57.16 56.92 3mkk n GLU 543 Cb 0.42 -0.91 0.19 0.00 -0.02 0.00 0.00 31.44 31.11 3mkk n GLU 543 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mkk n ASP 544 N -0.18 2.53 -3.99 1.62 5.75 -1.26 -4.71 116.55 116.31 3mkk n ASP 544 Ca 0.00 -3.34 -0.09 0.00 -0.01 0.00 0.00 54.79 51.36 3mkk n ASP 544 Cb 0.02 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.50 3mkk n ASP 544 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3mkk s GLN 545 N -2.99 0.35 0.01 0.11 -0.21 -1.26 -4.42 119.66 111.25 3mkk s GLN 545 Ca 0.37 -0.68 -0.01 0.00 0.02 0.00 0.00 55.36 55.06 3mkk s GLN 545 Cb 0.33 0.11 -0.01 0.00 1.00 0.00 0.00 33.01 34.44 3mkk s GLN 545 CO 0.02 -0.05 0.00 -0.51 -2.12 0.00 0.00 175.29 172.62 3mkk s LEU 546 N -1.62 2.09 0.23 2.90 1.43 -0.83 -4.55 118.68 118.34 3mkk s LEU 546 Ca -0.13 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 3mkk s LEU 546 Cb -0.08 0.15 -0.09 0.00 0.03 0.00 0.00 46.19 46.20 3mkk s LEU 546 CO -0.02 -0.23 0.82 -0.04 0.23 0.00 0.00 176.35 177.11 3mkk s MET 547 N -1.08 4.50 -0.13 1.70 -1.94 0.05 -0.26 119.30 122.15 3mkk s MET 547 Ca -0.12 1.14 0.02 0.00 -1.71 0.00 0.00 55.69 55.02 3mkk s MET 547 Cb -0.07 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.77 3mkk s MET 547 CO -0.00 0.43 -0.18 -1.17 -0.01 0.00 0.00 175.02 174.09 3mkk s LEU 548 N -1.67 1.88 0.00 -0.03 0.20 -0.23 -0.63 118.68 118.21 3mkk s LEU 548 Ca 0.42 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.73 3mkk s LEU 548 Cb -0.20 -1.25 0.00 0.00 -0.43 0.00 0.00 46.19 44.31 3mkk s LEU 548 CO 0.24 0.03 0.00 0.61 -0.29 0.00 0.00 176.35 176.94 3mkk n GLY 549 N 4.25 2.70 0.09 7.98 0.00 0.35 -3.10 105.19 117.46 3mkk n GLY 549 Ca -0.19 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.45 3mkk n GLY 549 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mkk n ASN 550 N 1.53 2.26 -0.02 1.61 3.02 -1.26 -4.84 115.26 117.55 3mkk n ASN 550 Ca 0.00 -2.47 -0.03 0.00 -0.03 0.00 0.00 54.58 52.05 3mkk n ASN 550 Cb 0.00 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 3mkk n ASN 550 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mkk n GLU 551 N -0.82 1.01 -4.29 3.52 4.71 -1.20 -4.93 120.64 118.64 3mkk n GLU 551 Ca 0.08 0.02 -0.16 0.00 -0.01 0.00 0.00 57.16 57.09 3mkk n GLU 551 Cb 0.44 -1.09 -0.10 0.00 -1.01 0.00 0.00 31.44 29.68 3mkk n GLU 551 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3mkk s ILE 552 N -2.09 0.87 0.02 -3.67 -4.36 -1.18 -0.89 121.20 109.90 3mkk s ILE 552 Ca -0.05 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 58.40 3mkk s ILE 552 Cb 0.01 -2.26 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 3mkk s ILE 552 CO 0.11 -0.37 -0.21 -0.32 0.24 0.00 0.00 174.94 174.39 3mkk s MET 553 N -3.89 1.50 0.16 0.37 -2.45 0.58 -1.06 119.30 114.52 3mkk s MET 553 Ca 0.27 -0.85 0.08 0.00 -1.25 0.00 0.00 55.69 53.93 3mkk s MET 553 Cb 0.06 -1.55 -0.04 0.00 1.25 0.00 0.00 34.83 34.55 3mkk s MET 553 CO 0.07 0.41 -0.05 0.96 1.05 0.00 0.00 175.02 177.46 3mkk s ILE 554 N -0.67 3.48 -0.49 10.11 -4.36 0.65 -1.14 121.20 128.78 3mkk s ILE 554 Ca 0.08 -1.48 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 3mkk s ILE 554 Cb -0.08 -2.72 0.19 0.00 1.25 0.00 0.00 42.46 41.09 3mkk s ILE 554 CO 0.01 -0.07 0.67 0.00 0.24 0.00 0.00 174.94 175.78 3mkk s ALA 555 N -1.64 -1.76 0.58 2.27 0.00 -1.26 -1.97 121.76 117.98 3mkk s ALA 555 Ca 0.26 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 3mkk s ALA 555 Cb -0.09 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 3mkk s ALA 555 CO 0.17 -2.21 1.10 -1.25 0.00 0.00 0.00 175.76 173.57 3mkk s PRO 556 N 0.93 3.23 -0.03 0.00 0.04 -1.26 -4.96 135.00 132.95 3mkk s PRO 556 Ca 0.28 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 3mkk s PRO 556 Cb -0.01 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 3mkk s PRO 556 CO -0.07 -0.91 0.92 0.08 0.04 0.00 0.00 177.00 177.06 3mkk s VAL 557 N -2.08 4.90 -0.05 -0.36 1.01 -1.26 -4.94 120.40 117.62 3mkk s VAL 557 Ca 0.69 1.92 0.07 0.00 0.00 0.00 0.00 61.98 64.66 3mkk s VAL 557 Cb -0.21 -4.26 0.11 0.00 0.00 0.00 0.00 36.38 32.03 3mkk s VAL 557 CO 0.32 0.16 1.02 0.00 0.00 0.00 0.00 175.10 176.60 3mkk n TYR 558 N 4.05 0.00 -4.54 5.22 0.18 -1.26 -4.87 117.16 115.95 3mkk n TYR 558 Ca 0.05 -0.40 -0.33 0.00 1.88 0.00 0.00 57.90 59.09 3mkk n TYR 558 Cb 0.51 -0.08 -0.14 0.00 -0.38 0.00 0.00 39.34 39.24 3mkk n TYR 558 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3mkk s GLU 559 N -1.13 3.40 0.34 -3.48 2.02 -1.26 -4.65 118.70 113.94 3mkk s GLU 559 Ca 0.12 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.16 3mkk s GLU 559 Cb 0.11 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 31.49 3mkk s GLU 559 CO 0.01 0.12 1.52 -1.14 0.02 0.00 0.00 175.26 175.78 3mkk s GLN 560 N 0.62 4.12 0.00 1.61 0.74 -1.26 -2.16 119.66 123.33 3mkk s GLN 560 Ca -0.06 2.56 0.00 0.00 0.05 0.00 0.00 55.36 57.91 3mkk s GLN 560 Cb -0.15 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 30.97 3mkk s GLN 560 CO 0.03 -0.56 0.00 0.09 -0.55 0.00 0.00 175.29 174.30 3mkk n ASN 561 N 1.08 0.00 -4.77 6.67 3.02 -1.26 -4.99 115.26 115.01 3mkk n ASN 561 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 3mkk n ASN 561 Cb 0.39 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 3mkk n ASN 561 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mkk s ALA 562 N -2.75 3.46 -1.32 5.41 0.00 -0.92 -4.92 121.76 120.73 3mkk s ALA 562 Ca 0.00 1.13 0.17 0.00 0.00 0.00 0.00 51.96 53.26 3mkk s ALA 562 Cb 0.00 -3.43 0.52 0.00 0.00 0.00 0.00 23.12 20.21 3mkk s ALA 562 CO 0.00 -0.47 1.44 0.54 0.00 0.00 0.00 175.76 177.26 3mkk n ARG 563 N 0.93 2.96 -3.17 0.00 1.74 -1.26 -4.84 116.66 113.02 3mkk n ARG 563 Ca -0.00 -2.47 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 3mkk n ARG 563 Cb 0.43 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3mkk n ARG 563 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mkk n GLY 564 N 1.00 -1.29 3.43 -0.13 0.00 -1.25 -1.04 105.19 105.91 3mkk n GLY 564 Ca 0.19 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 3mkk n GLY 564 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mkk s ARG 565 N -0.64 1.26 0.35 1.61 1.70 -0.23 -4.86 118.95 118.14 3mkk s ARG 565 Ca 0.00 -0.66 -0.26 0.00 -0.47 0.00 0.00 55.73 54.34 3mkk s ARG 565 Cb 0.00 0.54 -0.09 0.00 -0.57 0.00 0.00 34.95 34.83 3mkk s ARG 565 CO 0.00 -0.54 1.06 0.71 -1.08 0.00 0.00 175.30 175.45 3mkk s TYR 566 N -3.80 3.41 0.03 5.89 2.02 -1.26 -0.42 117.35 123.21 3mkk s TYR 566 Ca 0.04 1.68 0.01 0.00 -0.37 0.00 0.00 57.07 58.42 3mkk s TYR 566 Cb -0.00 -3.16 -0.02 0.00 -0.40 0.00 0.00 41.96 38.37 3mkk s TYR 566 CO -0.09 -0.53 -0.04 0.14 -1.57 0.00 0.00 175.55 173.46 3mkk s VAL 567 N -1.49 0.24 -0.20 0.71 -7.23 0.13 -4.95 120.40 107.62 3mkk s VAL 567 Ca 0.53 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.67 3mkk s VAL 567 Cb -0.25 -0.42 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 3mkk s VAL 567 CO 0.32 -0.49 -0.08 -0.47 -0.31 0.00 0.00 175.10 174.07 3mkk s TYR 568 N -1.55 2.91 -0.34 2.82 5.04 -1.26 -1.00 117.35 123.97 3mkk s TYR 568 Ca -0.13 -0.98 -0.14 0.00 -2.44 0.00 0.00 57.07 53.38 3mkk s TYR 568 Cb -0.09 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 3mkk s TYR 568 CO -0.01 -0.53 0.29 -0.51 -1.34 0.00 0.00 175.55 173.45 3mkk s LEU 569 N 1.27 4.46 0.00 6.97 1.43 0.07 -4.95 118.68 127.93 3mkk s LEU 569 Ca 0.03 -0.32 0.20 0.00 -1.03 0.00 0.00 54.13 53.02 3mkk s LEU 569 Cb -0.14 -2.22 1.00 0.00 0.03 0.00 0.00 46.19 44.86 3mkk s LEU 569 CO -0.03 -0.27 1.64 -2.65 0.23 0.00 0.00 176.35 175.27 3mkk n PRO 570 N 5.22 0.25 -3.87 1.29 -0.02 -1.26 -0.88 135.00 135.73 3mkk n PRO 570 Ca -0.11 0.10 -0.07 0.00 -2.02 0.00 0.00 63.50 61.40 3mkk n PRO 570 Cb 0.50 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 3mkk n PRO 570 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3mkk s GLU 571 N -2.63 1.81 0.32 -0.52 -1.05 -1.26 -4.93 118.70 110.44 3mkk s GLU 571 Ca 0.18 -1.06 -0.29 0.00 -0.15 0.00 0.00 54.97 53.65 3mkk s GLU 571 Cb 0.14 0.60 -0.11 0.00 -0.44 0.00 0.00 34.13 34.31 3mkk s GLU 571 CO 0.32 -0.83 1.50 -2.00 0.95 0.00 0.00 175.26 175.20 3mkk s GLU 572 N -3.77 4.16 0.05 -4.83 2.12 -1.26 -3.91 118.70 111.26 3mkk s GLU 572 Ca 0.13 2.50 -0.02 0.00 0.36 0.00 0.00 54.97 57.93 3mkk s GLU 572 Cb -0.05 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 3mkk s GLU 572 CO 0.08 -0.52 0.01 -1.64 -0.54 0.00 0.00 175.26 172.65 3mkk s MET 573 N -1.18 0.60 -0.37 4.30 -1.94 -0.84 -1.63 119.30 118.24 3mkk s MET 573 Ca 0.57 -1.04 -0.22 0.00 -1.71 0.00 0.00 55.69 53.30 3mkk s MET 573 Cb -0.46 0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.61 3mkk s MET 573 CO 0.53 -0.13 0.71 0.15 -0.01 0.00 0.00 175.02 176.27 3mkk s LYS 574 N -3.40 3.66 -0.27 2.03 1.02 -0.24 -1.02 119.74 121.51 3mkk s LYS 574 Ca 0.02 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.83 3mkk s LYS 574 Cb 0.04 -3.83 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3mkk s LYS 574 CO -0.08 -0.83 1.37 0.12 -0.92 0.00 0.00 175.35 175.00 3mkk s PHE 575 N 2.92 2.57 -0.03 3.18 5.36 0.12 -1.17 117.98 130.92 3mkk s PHE 575 Ca 0.27 0.80 0.03 0.00 -0.96 0.00 0.00 56.93 57.08 3mkk s PHE 575 Cb -0.14 -3.90 -0.03 0.00 -0.34 0.00 0.00 43.02 38.62 3mkk s PHE 575 CO 0.17 -1.99 -0.12 0.42 -1.46 0.00 0.00 175.22 172.24 3mkk s ILE 576 N 4.49 3.27 -0.03 3.12 -1.09 0.13 -0.91 121.20 130.17 3mkk s ILE 576 Ca 0.59 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 3mkk s ILE 576 Cb -0.19 -2.33 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 3mkk s ILE 576 CO 0.24 0.53 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.89 3mkk s LYS 577 N -0.96 0.72 -0.29 2.79 1.02 -1.03 -0.71 119.74 121.30 3mkk s LYS 577 Ca 0.13 -0.11 -0.28 0.00 0.02 0.00 0.00 55.97 55.72 3mkk s LYS 577 Cb -0.11 -0.74 0.01 0.00 -0.52 0.00 0.00 37.83 36.48 3mkk s LYS 577 CO 0.03 -0.04 1.04 -0.06 -0.92 0.00 0.00 175.35 175.39 3mkk s PHE 578 N 0.72 3.22 0.24 3.18 0.40 0.10 -1.45 117.98 124.39 3mkk s PHE 578 Ca -0.09 1.26 -0.11 0.00 -0.60 0.00 0.00 56.93 57.39 3mkk s PHE 578 Cb -0.12 -3.50 -0.07 0.00 0.51 0.00 0.00 43.02 39.83 3mkk s PHE 578 CO 0.00 -0.65 0.58 -1.64 0.70 0.00 0.00 175.22 174.21 3mkk s MET 579 N 3.43 3.84 0.55 0.44 -1.94 0.14 -2.41 119.30 123.34 3mkk s MET 579 Ca 0.44 0.35 0.27 0.00 -1.71 0.00 0.00 55.69 55.04 3mkk s MET 579 Cb -0.13 -2.62 1.46 0.00 2.01 0.00 0.00 34.83 35.54 3mkk s MET 579 CO 0.12 0.30 1.98 -1.00 -0.01 0.00 0.00 175.02 176.40 3mkk h PRO 580 N 2.53 0.00 -0.11 2.03 0.13 -1.87 0.12 132.00 134.84 3mkk h PRO 580 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3mkk h PRO 580 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3mkk h PRO 580 CO 0.68 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.05 3mkk n ASP 581 N -4.15 1.12 0.00 1.44 5.75 -1.26 -4.81 116.55 114.64 3mkk n ASP 581 Ca 0.09 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3mkk n ASP 581 Cb 0.62 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3mkk n ASP 581 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mkk n GLY 582 N 1.02 0.88 3.87 6.12 0.00 0.42 -5.07 105.19 112.43 3mkk n GLY 582 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3mkk n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mkk s SER 583 N -2.76 4.74 -0.22 1.61 1.04 -1.25 -4.83 113.70 112.03 3mkk s SER 583 Ca 0.00 1.00 0.02 0.00 0.48 0.00 0.00 55.95 57.45 3mkk s SER 583 Cb 0.00 -1.64 0.05 0.00 0.10 0.00 0.00 66.02 64.52 3mkk s SER 583 CO 0.00 -1.78 -0.12 -0.63 0.98 0.00 0.00 173.24 171.70 3mkk s ILE 584 N -3.41 1.91 0.50 -1.02 1.01 -1.26 -0.69 121.20 118.24 3mkk s ILE 584 Ca 0.61 -1.28 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 3mkk s ILE 584 Cb -0.12 -1.98 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 3mkk s ILE 584 CO 0.51 0.12 0.96 -0.94 0.00 0.00 0.00 174.94 175.59 3mkk s SER 585 N 1.26 6.63 -0.07 3.58 1.04 -0.53 -4.91 113.70 120.70 3mkk s SER 585 Ca -0.04 1.53 -0.03 0.00 0.48 0.00 0.00 55.95 57.90 3mkk s SER 585 Cb -0.18 -2.49 0.04 0.00 0.10 0.00 0.00 66.02 63.49 3mkk s SER 585 CO -0.07 -0.56 0.14 -0.70 0.98 0.00 0.00 173.24 173.03 3mkk s GLU 586 N -4.01 0.08 -0.06 4.02 2.12 -1.26 -2.45 118.70 117.13 3mkk s GLU 586 Ca 0.58 0.39 -0.02 0.00 0.36 0.00 0.00 54.97 56.28 3mkk s GLU 586 Cb -0.10 -0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.13 3mkk s GLU 586 CO 0.31 -0.19 0.11 -2.00 -0.54 0.00 0.00 175.26 172.95 3mkk s GLU 587 N 1.33 0.00 0.06 4.30 2.12 -0.09 -4.98 118.70 121.45 3mkk s GLU 587 Ca -0.07 0.43 -0.31 0.00 0.36 0.00 0.00 54.97 55.38 3mkk s GLU 587 Cb -0.12 -0.31 -0.06 0.00 0.26 0.00 0.00 34.13 33.90 3mkk s GLU 587 CO -0.06 -0.27 1.34 0.08 -0.54 0.00 0.00 175.26 175.81 3mkk s VAL 588 N 1.88 3.65 -0.03 3.70 1.01 -1.26 0.16 120.40 129.50 3mkk s VAL 588 Ca -0.00 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.16 3mkk s VAL 588 Cb -0.12 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3mkk s VAL 588 CO -0.05 0.06 -0.17 -0.76 0.00 0.00 0.00 175.10 174.18 3mkk s LEU 589 N 1.52 1.95 0.75 3.92 1.43 -0.19 -4.93 118.68 123.13 3mkk s LEU 589 Ca 0.62 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 3mkk s LEU 589 Cb -0.33 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.00 3mkk s LEU 589 CO 0.29 0.17 1.13 -1.61 0.23 0.00 0.00 176.35 176.55 3mkk s GLU 590 N -0.12 2.46 0.23 1.70 2.02 -1.26 -1.98 118.70 121.75 3mkk s GLU 590 Ca 0.00 0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 3mkk s GLU 590 Cb -0.10 -2.00 -0.15 0.00 0.10 0.00 0.00 34.13 31.99 3mkk s GLU 590 CO 0.01 -1.27 1.08 1.17 0.02 0.00 0.00 175.26 176.27 3mkk n LYS 591 N -3.13 1.25 0.00 1.61 4.81 -1.25 -4.75 118.16 116.70 3mkk n LYS 591 Ca 0.07 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 3mkk n LYS 591 Cb 0.59 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.77 3mkk n LYS 591 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mkk n GLY 592 N 1.66 0.90 3.75 3.14 0.00 -0.06 -4.96 105.19 109.61 3mkk n GLY 592 Ca 0.12 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 3mkk n GLY 592 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mkk s VAL 593 N -1.29 4.68 0.03 1.61 1.01 -1.26 -0.75 120.40 124.42 3mkk s VAL 593 Ca 0.00 1.68 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 3mkk s VAL 593 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3mkk s VAL 593 CO 0.00 0.37 0.05 -1.00 0.00 0.00 0.00 175.10 174.53 3mkk s HIS 594 N -0.14 0.21 -0.19 5.22 3.76 -0.17 -4.99 115.29 119.00 3mkk s HIS 594 Ca 0.39 -0.48 -0.07 0.00 -0.15 0.00 0.00 55.06 54.75 3mkk s HIS 594 Cb -0.21 -0.16 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 3mkk s HIS 594 CO 0.24 -0.29 0.05 -0.47 -0.85 0.00 0.00 174.74 173.42 3mkk s TYR 595 N -2.11 3.21 -0.03 1.40 5.04 -1.26 -0.69 117.35 122.91 3mkk s TYR 595 Ca -0.09 -0.02 0.07 0.00 -2.44 0.00 0.00 57.07 54.59 3mkk s TYR 595 Cb -0.04 -2.08 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 3mkk s TYR 595 CO -0.03 0.08 -0.23 0.14 -1.34 0.00 0.00 175.55 174.18 3mkk s VAL 596 N 0.49 2.34 -0.27 3.14 -7.23 0.44 -4.96 120.40 114.36 3mkk s VAL 596 Ca 0.02 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.97 3mkk s VAL 596 Cb -0.13 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 3mkk s VAL 596 CO 0.01 0.58 0.75 -1.81 -0.31 0.00 0.00 175.10 174.32 3mkk s ASP 597 N -0.64 6.69 -0.24 4.85 1.01 -1.26 -1.07 116.67 126.00 3mkk s ASP 597 Ca 0.10 0.79 -0.00 0.00 0.71 0.00 0.00 52.55 54.15 3mkk s ASP 597 Cb -0.10 -2.39 0.07 0.00 1.01 0.00 0.00 42.92 41.51 3mkk s ASP 597 CO -0.01 -0.50 0.01 -0.69 0.21 0.00 0.00 175.17 174.19 3mkk s VAL 598 N 2.76 1.15 0.78 -1.27 1.01 -0.20 -4.93 120.40 119.70 3mkk s VAL 598 Ca 0.31 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3mkk s VAL 598 Cb -0.15 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.69 3mkk s VAL 598 CO 0.09 -0.28 1.09 0.00 0.00 0.00 0.00 175.10 176.01 3mkk s ALA 599 N 1.54 2.21 0.33 5.51 0.00 -1.26 -3.85 121.76 126.25 3mkk s ALA 599 Ca -0.00 0.16 0.11 0.00 0.00 0.00 0.00 51.96 52.22 3mkk s ALA 599 Cb -0.18 -3.23 0.91 0.00 0.00 0.00 0.00 23.12 20.62 3mkk s ALA 599 CO -0.10 -1.77 1.75 -0.07 0.00 0.00 0.00 175.76 175.56 3mkk h LEU 600 N -1.13 0.64 -3.57 0.00 3.38 -1.93 -1.99 115.31 110.71 3mkk h LEU 600 Ca -0.45 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3mkk h LEU 600 Cb 1.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3mkk h LEU 600 CO 0.53 0.13 0.02 -0.46 0.09 0.00 0.00 178.44 178.76 3mkk n ASN 601 N -4.80 5.66 -4.36 -0.43 0.23 -1.26 -4.73 115.26 105.56 3mkk n ASN 601 Ca 0.26 -2.95 -0.31 0.00 -0.53 0.00 0.00 54.58 51.04 3mkk n ASN 601 Cb 0.74 -0.69 -0.15 0.00 -2.08 0.00 0.00 39.78 37.60 3mkk n ASN 601 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3mkk s GLU 602 N -2.78 2.10 -0.23 -3.83 2.02 -0.75 -4.04 118.70 111.18 3mkk s GLU 602 Ca 0.54 -0.94 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 3mkk s GLU 602 Cb 0.42 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.56 3mkk s GLU 602 CO 0.16 0.56 -0.07 0.08 0.02 0.00 0.00 175.26 176.00 3mkk s VAL 603 N -0.71 2.95 0.13 2.63 1.01 -1.01 -4.75 120.40 120.65 3mkk s VAL 603 Ca 0.11 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3mkk s VAL 603 Cb -0.10 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3mkk s VAL 603 CO 0.01 0.30 0.28 -2.16 0.00 0.00 0.00 175.10 173.53 3mkk s PRO 604 N 1.37 3.45 0.28 2.72 0.04 -1.26 -0.72 135.00 140.88 3mkk s PRO 604 Ca 0.03 -0.53 -0.19 0.00 0.04 0.00 0.00 61.00 60.35 3mkk s PRO 604 Cb -0.15 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.43 3mkk s PRO 604 CO -0.05 0.53 0.69 -0.48 0.04 0.00 0.00 177.00 177.73 3mkk s LEU 605 N -3.05 -0.13 -0.06 -3.56 0.05 0.11 -4.67 118.68 107.37 3mkk s LEU 605 Ca 0.35 -0.71 0.03 0.00 0.05 0.00 0.00 54.13 53.85 3mkk s LEU 605 Cb -0.12 2.57 0.01 0.00 -2.05 0.00 0.00 46.19 46.61 3mkk s LEU 605 CO 0.28 -1.34 -0.15 -0.36 -0.55 0.00 0.00 176.35 174.23 3mkk s PHE 606 N -3.79 1.68 -0.26 3.48 0.08 -0.29 0.21 117.98 119.09 3mkk s PHE 606 Ca 0.13 -0.60 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 3mkk s PHE 606 Cb -0.05 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 3mkk s PHE 606 CO 0.08 -0.27 0.15 0.42 -0.10 0.00 0.00 175.22 175.49 3mkk s ILE 607 N 0.46 5.01 0.63 0.64 1.01 -0.32 -0.30 121.20 128.32 3mkk s ILE 607 Ca -0.13 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 3mkk s ILE 607 Cb -0.15 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 3mkk s ILE 607 CO 0.04 0.30 1.17 0.54 0.00 0.00 0.00 174.94 176.99 3mkk n ARG 608 N 4.87 1.04 -1.54 2.79 1.74 -0.07 -1.08 116.66 124.41 3mkk n ARG 608 Ca -0.15 0.41 -0.51 0.00 -0.77 0.00 0.00 57.85 56.83 3mkk n ARG 608 Cb 0.52 -2.40 -0.05 0.00 -1.02 0.00 0.00 32.46 29.51 3mkk n ARG 608 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mkk n SER 609 N -1.47 0.81 -1.60 0.55 2.88 -0.65 -1.87 113.62 112.28 3mkk n SER 609 Ca 0.15 1.14 -0.18 0.00 -1.33 0.00 0.00 58.87 58.65 3mkk n SER 609 Cb 0.48 -1.12 -0.05 0.00 -0.75 0.00 0.00 64.21 62.76 3mkk n SER 609 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mkk n GLY 610 N 1.97 1.03 3.50 0.46 0.00 -1.26 -5.00 105.19 105.89 3mkk n GLY 610 Ca 0.17 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3mkk n GLY 610 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkk s LYS 611 N -3.98 1.71 0.17 1.61 -0.14 -0.78 -4.69 119.74 113.63 3mkk s LYS 611 Ca 0.00 -1.91 -0.13 0.00 -1.36 0.00 0.00 55.97 52.56 3mkk s LYS 611 Cb 0.00 -1.30 0.01 0.00 -1.68 0.00 0.00 37.83 34.87 3mkk s LYS 611 CO 0.00 -0.01 0.39 0.00 -0.76 0.00 0.00 175.35 174.96 3mkk s ILE 613 N -3.91 0.37 0.14 0.00 -4.36 -0.30 -4.73 121.20 108.42 3mkk s ILE 613 Ca 0.12 -0.69 -0.22 0.00 -0.26 0.00 0.00 60.65 59.59 3mkk s ILE 613 Cb 0.01 -0.41 -0.08 0.00 1.25 0.00 0.00 42.46 43.24 3mkk s ILE 613 CO -0.03 -0.22 0.69 -2.16 0.24 0.00 0.00 174.94 173.46 3mkk s PRO 614 N -0.97 4.40 -0.12 0.37 0.04 -1.26 -1.48 135.00 135.97 3mkk s PRO 614 Ca -0.07 0.97 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 3mkk s PRO 614 Cb -0.07 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.29 3mkk s PRO 614 CO -0.00 0.58 -0.09 0.08 0.04 0.00 0.00 177.00 177.61 3mkk s VAL 615 N -1.18 1.15 0.64 -0.36 1.01 0.27 -4.44 120.40 117.49 3mkk s VAL 615 Ca 0.34 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3mkk s VAL 615 Cb -0.21 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3mkk s VAL 615 CO 0.23 0.39 1.04 0.00 0.00 0.00 0.00 175.10 176.76 3mkk s ALA 616 N 1.65 3.06 0.62 5.51 0.00 -0.85 -1.48 121.76 130.27 3mkk s ALA 616 Ca 0.05 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 3mkk s ALA 616 Cb -0.13 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3mkk s ALA 616 CO -0.09 -0.81 1.13 -1.21 0.00 0.00 0.00 175.76 174.79 3mkk s GLU 617 N -5.21 2.94 0.23 0.00 0.41 -1.26 -4.62 118.70 111.19 3mkk s GLU 617 Ca 0.56 1.52 -0.30 0.00 -0.41 0.00 0.00 54.97 56.34 3mkk s GLU 617 Cb -0.11 -1.96 -0.10 0.00 -1.78 0.00 0.00 34.13 30.18 3mkk s GLU 617 CO 0.53 -1.16 1.48 0.00 -0.49 0.00 0.00 175.26 175.61 3mkk s ALA 618 N -2.07 3.66 0.05 5.21 0.00 -1.26 -4.63 121.76 122.72 3mkk s ALA 618 Ca 0.70 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 3mkk s ALA 618 Cb -0.23 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 3mkk s ALA 618 CO 0.36 -0.77 -0.00 0.00 0.00 0.00 0.00 175.76 175.35 3mkk s ALA 619 N 0.23 0.35 -1.82 0.00 0.00 -1.26 -5.02 121.76 114.23 3mkk s ALA 619 Ca 0.62 -1.02 0.26 0.00 0.00 0.00 0.00 51.96 51.82 3mkk s ALA 619 Cb -0.43 0.27 0.76 0.00 0.00 0.00 0.00 23.12 23.72 3mkk s ALA 619 CO 0.41 -0.35 1.57 0.39 0.00 0.00 0.00 175.76 177.78 3mkk n GLU 620 N 0.35 0.92 -3.66 0.00 1.02 -1.26 -4.75 120.64 113.26 3mkk n GLU 620 Ca -0.16 -0.55 -0.10 0.00 -0.02 0.00 0.00 57.16 56.33 3mkk n GLU 620 Cb 0.60 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 3mkk n GLU 620 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mkk h VAL 622 N 2.42 0.76 -0.17 0.00 2.07 -1.89 -2.05 116.25 117.40 3mkk h VAL 622 Ca -0.34 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3mkk h VAL 622 Cb 1.25 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3mkk h VAL 622 CO 0.48 0.13 -0.00 0.50 0.02 0.00 0.00 177.57 178.69 3mkk h LYS 623 N 0.69 0.24 -0.01 1.57 3.64 -1.98 -2.64 116.57 118.08 3mkk h LYS 623 Ca 0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3mkk h LYS 623 Cb 0.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3mkk h LYS 623 CO -0.34 0.27 -0.11 -0.25 -2.27 0.00 0.00 179.45 176.74 3mkk n ASP 624 N -4.39 1.13 -4.69 4.20 9.92 -0.78 -4.91 116.55 117.04 3mkk n ASP 624 Ca -0.00 -1.14 -0.42 0.00 -0.53 0.00 0.00 54.79 52.70 3mkk n ASP 624 Cb 0.17 0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.67 3mkk n ASP 624 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3mkk s ILE 625 N -2.25 3.13 -0.54 0.53 1.01 -1.00 -4.90 121.20 117.18 3mkk s ILE 625 Ca 0.32 0.54 -0.24 0.00 0.00 0.00 0.00 60.65 61.27 3mkk s ILE 625 Cb 0.20 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.37 3mkk s ILE 625 CO 0.42 -0.01 0.92 -0.62 0.00 0.00 0.00 174.94 175.66 3mkk s ASP 626 N 2.49 6.34 0.00 3.58 -1.08 -1.26 -4.86 116.67 121.89 3mkk s ASP 626 Ca 0.73 -0.35 0.22 0.00 -0.52 0.00 0.00 52.55 52.63 3mkk s ASP 626 Cb -0.39 -2.43 0.40 0.00 -1.46 0.00 0.00 42.92 39.05 3mkk s ASP 626 CO 0.32 -1.19 1.36 0.35 0.52 0.00 0.00 175.17 176.53 3mkk n THR 627 N 6.18 0.53 -0.03 1.71 -2.24 -1.26 -4.50 114.28 114.66 3mkk n THR 627 Ca 0.02 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 3mkk n THR 627 Cb 0.47 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 3mkk n THR 627 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3mkk h GLU 628 N 4.18 0.16 -2.10 -0.78 4.57 -2.02 -3.36 114.58 115.23 3mkk h GLU 628 Ca 0.00 -0.06 -0.55 0.00 -1.18 0.00 0.00 59.36 57.57 3mkk h GLU 628 Cb 0.94 -0.01 -0.41 0.00 -0.16 0.00 0.00 28.75 29.12 3mkk h GLU 628 CO 0.00 0.46 -0.93 0.09 -1.18 0.00 0.00 179.01 177.45 3mkk n ASN 629 N -4.80 2.06 -4.76 1.04 3.02 -1.26 -5.11 115.26 105.45 3mkk n ASN 629 Ca -0.07 -3.17 -0.38 0.00 -0.03 0.00 0.00 54.58 50.94 3mkk n ASN 629 Cb 0.22 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 38.78 3mkk n ASN 629 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3mkk s MET 630 N -2.37 3.63 0.35 3.52 -1.94 -1.26 -5.00 119.30 116.24 3mkk s MET 630 Ca 0.41 2.00 -0.27 0.00 -1.71 0.00 0.00 55.69 56.11 3mkk s MET 630 Cb 0.25 -2.45 -0.09 0.00 2.01 0.00 0.00 34.83 34.55 3mkk s MET 630 CO -0.09 -0.72 1.22 -1.14 -0.01 0.00 0.00 175.02 174.28 3mkk s GLN 631 N -2.64 4.27 -0.14 2.03 0.74 -0.55 -4.75 119.66 118.62 3mkk s GLN 631 Ca 0.64 2.00 -0.04 0.00 0.05 0.00 0.00 55.36 58.01 3mkk s GLN 631 Cb -0.34 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 3mkk s GLN 631 CO 0.42 -0.18 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.45 3mkk s LEU 632 N -2.02 3.37 -0.06 3.68 1.43 -1.26 0.97 118.68 124.80 3mkk s LEU 632 Ca 0.52 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 3mkk s LEU 632 Cb -0.35 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3mkk s LEU 632 CO 0.45 0.22 -0.23 -0.63 0.23 0.00 0.00 176.35 176.39 3mkk s ILE 633 N 0.09 1.89 -0.52 -0.59 -1.09 -0.55 -4.96 121.20 115.47 3mkk s ILE 633 Ca 0.01 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 3mkk s ILE 633 Cb -0.13 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 3mkk s ILE 633 CO 0.02 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3mkk n GLY 634 N 3.07 0.37 3.70 6.18 0.00 -1.26 -1.15 105.19 116.10 3mkk n GLY 634 Ca -0.18 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 3mkk n GLY 634 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mkk s TYR 635 N -2.80 3.40 0.38 1.61 2.02 0.30 -4.98 117.35 117.28 3mkk s TYR 635 Ca 0.00 0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 56.96 3mkk s TYR 635 Cb 0.00 -2.39 -0.11 0.00 -0.40 0.00 0.00 41.96 39.06 3mkk s TYR 635 CO 0.00 0.12 1.22 0.39 -1.57 0.00 0.00 175.55 175.72 3mkk n GLU 636 N 4.01 1.90 -0.11 -0.62 1.02 -1.26 -2.25 120.64 123.33 3mkk n GLU 636 Ca -0.11 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3mkk n GLU 636 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 3mkk n GLU 636 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mkk n GLY 637 N 0.87 2.23 3.90 0.62 0.00 -0.81 -5.00 105.19 107.01 3mkk n GLY 637 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3mkk n GLY 637 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mkk s SER 638 N -3.54 5.31 0.17 1.61 1.04 -0.95 -4.88 113.70 112.45 3mkk s SER 638 Ca 0.00 0.92 0.04 0.00 0.48 0.00 0.00 55.95 57.38 3mkk s SER 638 Cb 0.00 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.36 3mkk s SER 638 CO 0.00 -1.36 -0.06 -0.94 0.98 0.00 0.00 173.24 171.86 3mkk s SER 639 N -4.39 1.64 -0.01 7.02 1.04 -1.26 -1.57 113.70 116.18 3mkk s SER 639 Ca 0.58 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.94 3mkk s SER 639 Cb -0.11 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 3mkk s SER 639 CO 0.49 -0.43 -0.07 -0.47 0.98 0.00 0.00 173.24 173.75 3mkk s TYR 640 N -3.43 0.66 -0.36 5.02 5.04 0.84 -4.53 117.35 120.58 3mkk s TYR 640 Ca 0.20 -0.13 -0.17 0.00 -2.44 0.00 0.00 57.07 54.52 3mkk s TYR 640 Cb 0.04 -0.46 -0.00 0.00 0.35 0.00 0.00 41.96 41.89 3mkk s TYR 640 CO 0.02 -0.04 0.47 0.99 -1.34 0.00 0.00 175.55 175.65 3mkk s THR 641 N 0.03 5.06 -0.33 4.34 2.01 -1.26 -0.01 115.64 125.48 3mkk s THR 641 Ca 0.00 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 3mkk s THR 641 Cb -0.05 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 3mkk s THR 641 CO -0.00 -0.22 0.53 -0.22 -0.69 0.00 0.00 174.62 174.02 3mkk s LEU 642 N 2.27 4.24 -0.15 4.42 2.96 0.76 -4.91 118.68 128.28 3mkk s LEU 642 Ca 0.16 0.16 -0.22 0.00 -0.22 0.00 0.00 54.13 54.00 3mkk s LEU 642 Cb -0.16 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 3mkk s LEU 642 CO 0.13 -0.45 0.69 -0.47 -1.32 0.00 0.00 176.35 174.93 3mkk s TYR 643 N 2.43 3.46 -0.09 5.38 5.04 -1.26 -0.90 117.35 131.40 3mkk s TYR 643 Ca 0.20 1.10 -0.09 0.00 -2.44 0.00 0.00 57.07 55.85 3mkk s TYR 643 Cb -0.15 -2.84 0.02 0.00 0.35 0.00 0.00 41.96 39.35 3mkk s TYR 643 CO 0.12 -0.09 0.25 -1.83 -1.34 0.00 0.00 175.55 172.67 3mkk s GLU 644 N 1.54 0.30 0.00 4.97 -1.05 0.18 -4.23 118.70 120.41 3mkk s GLU 644 Ca 0.33 0.34 0.00 0.00 -0.15 0.00 0.00 54.97 55.50 3mkk s GLU 644 Cb -0.17 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 3mkk s GLU 644 CO 0.13 -0.04 0.00 -0.40 0.95 0.00 0.00 175.26 175.91 3mkk n ASP 645 N 2.93 0.61 0.13 0.83 5.68 -1.26 -4.34 116.55 121.13 3mkk n ASP 645 Ca -0.13 -0.62 0.12 0.00 -0.50 0.00 0.00 54.79 53.66 3mkk n ASP 645 Cb 0.58 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.05 3mkk n ASP 645 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3mkk h ASP 646 N 0.00 0.00 0.00 -1.12 2.03 -1.94 -3.47 116.42 111.92 3mkk h ASP 646 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mkk h ASP 646 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3mkk h ASP 646 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 3mkk n GLY 647 N 0.26 0.91 0.50 7.15 0.00 -1.26 -4.83 105.19 107.93 3mkk n GLY 647 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3mkk n GLY 647 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mkk n ILE 648 N -2.15 0.00 -2.67 -0.61 5.41 -1.26 -0.83 119.36 117.25 3mkk n ILE 648 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3mkk n ILE 648 Cb 0.00 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 3mkk n ILE 648 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3mkk n HIS 649 N -2.67 -1.88 -2.03 1.39 8.25 -1.26 -1.36 115.22 115.65 3mkk n HIS 649 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3mkk n HIS 649 Cb 0.46 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.62 3mkk n HIS 649 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mkk n LYS 650 N -0.63 3.12 -1.82 -0.41 5.02 -1.03 -4.63 118.16 117.78 3mkk n LYS 650 Ca 0.00 -3.96 -0.40 0.00 -2.02 0.00 0.00 58.31 51.93 3mkk n LYS 650 Cb 0.00 -2.10 -0.01 0.00 -0.02 0.00 0.00 35.03 32.90 3mkk n LYS 650 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3mkk n ASP 651 N -0.74 7.26 0.08 4.39 2.03 -1.26 -4.74 116.55 123.56 3mkk n ASP 651 Ca 0.37 -2.93 -0.06 0.00 0.52 0.00 0.00 54.79 52.69 3mkk n ASP 651 Cb 0.92 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.78 3mkk n ASP 651 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3mkk h TYR 652 N 5.09 0.00 -0.67 -0.67 0.05 -2.03 -3.35 116.97 115.38 3mkk h TYR 652 Ca 0.69 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 59.10 3mkk h TYR 652 Cb 0.39 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 37.93 3mkk h TYR 652 CO 1.61 0.92 0.46 -0.25 -1.05 0.00 0.00 178.16 179.85 3mkk n ASP 653 N -3.42 3.94 -4.82 3.88 8.00 -1.26 -4.94 116.55 117.93 3mkk n ASP 653 Ca -0.00 -3.11 -0.37 0.00 0.71 0.00 0.00 54.79 52.01 3mkk n ASP 653 Cb 0.88 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3mkk n ASP 653 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mkk s LYS 654 N -2.26 4.13 0.40 -1.24 -0.14 -1.26 -4.97 119.74 114.40 3mkk s LYS 654 Ca 0.39 0.67 0.21 0.00 -1.36 0.00 0.00 55.97 55.88 3mkk s LYS 654 Cb 0.33 -3.12 0.75 0.00 -1.68 0.00 0.00 37.83 34.11 3mkk s LYS 654 CO 0.06 0.58 1.76 1.57 -0.76 0.00 0.00 175.35 178.56 3mkk h LYS 655 N 4.17 0.00 0.00 1.68 -0.00 -1.95 -2.59 116.57 117.88 3mkk h LYS 655 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 3mkk h LYS 655 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 3mkk h LYS 655 CO 0.64 0.30 0.00 1.49 -0.00 0.00 0.00 179.45 181.88 3mkk h GLU 656 N 0.00 0.00 0.00 0.07 4.57 -1.96 -2.66 114.58 114.59 3mkk h GLU 656 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3mkk h GLU 656 Cb 0.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 3mkk h GLU 656 CO 0.04 0.00 -0.18 -0.91 -1.18 0.00 0.00 179.01 176.78 3mkk h ASN 657 N 0.00 0.00 -3.31 1.04 2.35 -1.65 -3.44 115.58 110.56 3mkk h ASN 657 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 3mkk h ASN 657 Cb 0.19 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.35 3mkk h ASN 657 CO 0.00 0.18 -0.65 -0.31 -1.65 0.00 0.00 177.43 175.00 3mkk s TYR 658 N -3.54 3.06 -0.04 1.19 2.02 -1.01 0.49 117.35 119.52 3mkk s TYR 658 Ca 0.02 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3mkk s TYR 658 Cb 0.09 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3mkk s TYR 658 CO 0.63 0.03 -0.01 0.50 -1.57 0.00 0.00 175.55 175.13 3mkk s ARG 659 N 0.24 0.52 -0.28 -0.62 3.52 -0.08 -4.97 118.95 117.28 3mkk s ARG 659 Ca -0.02 0.02 -0.20 0.00 -0.13 0.00 0.00 55.73 55.41 3mkk s ARG 659 Cb -0.14 -0.67 -0.02 0.00 -1.56 0.00 0.00 34.95 32.57 3mkk s ARG 659 CO 0.03 -0.14 0.60 0.08 -0.81 0.00 0.00 175.30 175.06 3mkk s VAL 660 N 1.11 4.98 -0.15 7.11 1.01 -1.26 -0.17 120.40 133.04 3mkk s VAL 660 Ca -0.08 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 62.79 3mkk s VAL 660 Cb -0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3mkk s VAL 660 CO -0.01 -0.03 0.06 -0.76 0.00 0.00 0.00 175.10 174.35 3mkk s LEU 661 N 2.50 3.85 -0.11 3.92 1.43 0.98 -4.96 118.68 126.29 3mkk s LEU 661 Ca 0.25 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 3mkk s LEU 661 Cb -0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.13 3mkk s LEU 661 CO 0.10 0.26 -0.20 -0.89 0.23 0.00 0.00 176.35 175.85 3mkk s THR 662 N -0.18 1.87 -2.00 5.49 2.01 -1.26 -0.11 115.64 121.45 3mkk s THR 662 Ca 0.07 -0.88 0.20 0.00 0.31 0.00 0.00 61.69 61.40 3mkk s THR 662 Cb -0.12 -1.65 0.58 0.00 0.01 0.00 0.00 72.50 71.32 3mkk s THR 662 CO 0.01 0.51 1.60 1.17 -0.69 0.00 0.00 174.62 177.23