#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mkk h MET 1 N 0.00 0.00 -5.59 0.00 0.00 -1.94 -3.45 114.93 103.95 3mkk h MET 1 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 59.70 59.02 3mkk h MET 1 Cb 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 31.60 31.29 3mkk h MET 1 CO 0.00 0.30 -0.85 0.42 0.00 0.00 0.00 176.91 176.77 3mkk s ILE 2 N -2.93 2.29 0.04 -1.22 1.01 -1.26 -1.15 121.20 117.99 3mkk s ILE 2 Ca -0.03 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.74 3mkk s ILE 2 Cb 0.09 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 3mkk s ILE 2 CO 0.81 0.56 -0.21 -0.13 0.00 0.00 0.00 174.94 175.97 3mkk s ARG 3 N 0.14 1.40 -0.18 2.79 0.52 -0.74 -4.97 118.95 117.90 3mkk s ARG 3 Ca -0.11 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.13 3mkk s ARG 3 Cb -0.16 -1.51 -0.01 0.00 0.52 0.00 0.00 34.95 33.79 3mkk s ARG 3 CO 0.06 0.39 -0.08 0.21 0.02 0.00 0.00 175.30 175.90 3mkk s LYS 4 N -1.17 3.43 -0.26 3.54 2.20 -1.25 -0.73 119.74 125.50 3mkk s LYS 4 Ca 0.07 -0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 55.01 3mkk s LYS 4 Cb -0.09 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 3mkk s LYS 4 CO 0.02 0.03 0.00 0.71 -0.36 0.00 0.00 175.35 175.74 3mkk s TYR 5 N 0.88 3.08 -0.14 4.03 2.02 0.57 0.22 117.35 128.01 3mkk s TYR 5 Ca -0.02 -1.20 -0.15 0.00 -0.37 0.00 0.00 57.07 55.34 3mkk s TYR 5 Cb -0.15 -2.15 -0.05 0.00 -0.40 0.00 0.00 41.96 39.22 3mkk s TYR 5 CO 0.01 -0.63 0.34 0.50 -1.57 0.00 0.00 175.55 174.20 3mkk s ARG 6 N 1.43 4.21 -0.11 -0.62 3.52 -1.26 -0.21 118.95 125.91 3mkk s ARG 6 Ca 0.02 0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 3mkk s ARG 6 Cb -0.16 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3mkk s ARG 6 CO -0.01 0.28 -0.23 0.71 -0.81 0.00 0.00 175.30 175.24 3mkk s TYR 7 N 0.31 2.60 0.00 5.12 2.02 0.12 -5.00 117.35 122.52 3mkk s TYR 7 Ca 0.19 -1.08 0.00 0.00 -0.37 0.00 0.00 57.07 55.81 3mkk s TYR 7 Cb -0.14 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3mkk s TYR 7 CO 0.06 -0.44 0.00 0.41 -1.57 0.00 0.00 175.55 174.01 3mkk n GLY 8 N 3.64 2.39 2.97 0.71 0.00 -1.08 -1.12 105.19 112.69 3mkk n GLY 8 Ca -0.19 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.98 3.94 0.28 4.61 0.00 -1.26 -4.86 121.76 122.48 3mkk s ALA 9 Ca 0.00 -3.82 -0.29 0.00 0.00 0.00 0.00 51.96 47.85 3mkk s ALA 9 Cb 0.00 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.64 3mkk s ALA 9 CO 0.00 -2.11 1.40 -1.25 0.00 0.00 0.00 175.76 173.80 3mkk s PRO 10 N -1.37 4.28 0.31 0.00 0.04 -1.26 -4.87 135.00 132.14 3mkk s PRO 10 Ca 0.25 2.29 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 3mkk s PRO 10 Cb -0.06 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 3mkk s PRO 10 CO -0.15 -0.36 1.45 0.12 0.04 0.00 0.00 177.00 178.10 3mkk s PHE 11 N -0.40 2.87 -0.54 0.56 5.36 -1.26 -4.95 117.98 119.62 3mkk s PHE 11 Ca 0.56 1.11 -0.28 0.00 -0.96 0.00 0.00 56.93 57.35 3mkk s PHE 11 Cb -0.41 -3.88 0.03 0.00 -0.34 0.00 0.00 43.02 38.41 3mkk s PHE 11 CO 0.47 -2.73 1.16 0.34 -1.46 0.00 0.00 175.22 173.01 3mkk s ASP 12 N 0.06 6.52 0.33 6.13 3.68 -1.26 -4.87 116.67 127.26 3mkk s ASP 12 Ca 0.56 0.24 0.20 0.00 2.13 0.00 0.00 52.55 55.68 3mkk s ASP 12 Cb -0.44 -2.55 0.18 0.00 -1.45 0.00 0.00 42.92 38.66 3mkk s ASP 12 CO 0.51 -1.39 1.43 0.71 0.13 0.00 0.00 175.17 176.57 3mkk h THR 13 N 6.19 0.30 -0.86 1.71 1.35 -1.95 -3.48 112.91 116.17 3mkk h THR 13 Ca -0.24 -1.44 -0.24 0.00 -0.55 0.00 0.00 66.41 63.94 3mkk h THR 13 Cb 1.06 2.07 -0.07 0.00 -1.73 0.00 0.00 68.15 69.47 3mkk h THR 13 CO 1.16 0.17 -0.24 -0.62 -0.25 0.00 0.00 175.52 175.74 3mkk n GLU 14 N -3.07 -0.86 0.02 4.72 1.02 -1.26 -4.93 120.64 116.28 3mkk n GLU 14 Ca 0.02 0.83 -0.12 0.00 -0.02 0.00 0.00 57.16 57.87 3mkk n GLU 14 Cb 0.62 -4.87 -0.06 0.00 -0.02 0.00 0.00 31.44 27.10 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 0.15 0.06 -2.62 0.62 0.00 -1.93 -3.44 119.26 112.10 3mkk h ALA 15 Ca -0.25 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.11 3mkk h ALA 15 Cb 0.89 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3mkk h ALA 15 CO 0.35 -0.43 0.16 -0.51 0.00 0.00 0.00 179.25 178.82 3mkk s LEU 16 N -10.11 4.47 0.00 0.00 1.02 -1.26 -4.24 118.68 108.56 3mkk s LEU 16 Ca -0.13 1.55 0.20 0.00 0.02 0.00 0.00 54.13 55.78 3mkk s LEU 16 Cb 0.06 -3.45 0.03 0.00 0.02 0.00 0.00 46.19 42.85 3mkk s LEU 16 CO 0.67 0.12 1.04 0.35 0.02 0.00 0.00 176.35 178.55 3mkk n THR 17 N 1.17 0.00 -4.68 5.49 -2.24 0.11 -4.90 114.28 109.22 3mkk n THR 17 Ca -0.04 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 3mkk n THR 17 Cb 0.50 1.28 -0.14 0.00 -2.10 0.00 0.00 70.33 69.88 3mkk n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mkk s GLU 18 N -2.16 3.39 -0.20 -0.78 8.01 -1.12 -5.02 118.70 120.83 3mkk s GLU 18 Ca 0.18 -0.63 -0.29 0.00 0.01 0.00 0.00 54.97 54.24 3mkk s GLU 18 Cb 0.17 -2.69 0.00 0.00 -4.31 0.00 0.00 34.13 27.30 3mkk s GLU 18 CO 0.46 0.26 1.08 0.21 0.01 0.00 0.00 175.26 177.28 3mkk s LYS 19 N 0.24 4.28 -0.12 1.61 2.47 -1.26 -5.03 119.74 121.93 3mkk s LYS 19 Ca -0.07 1.42 -0.02 0.00 -1.56 0.00 0.00 55.97 55.74 3mkk s LYS 19 Cb -0.15 -3.64 -0.03 0.00 -1.46 0.00 0.00 37.83 32.55 3mkk s LYS 19 CO 0.05 -0.59 -0.04 0.42 0.16 0.00 0.00 175.35 175.34 3mkk s ILE 20 N 3.05 3.92 0.47 5.43 -1.09 -1.26 -5.10 121.20 126.62 3mkk s ILE 20 Ca 0.47 -0.37 -0.23 0.00 -2.23 0.00 0.00 60.65 58.29 3mkk s ILE 20 Cb -0.17 -2.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.97 3mkk s ILE 20 CO 0.10 0.54 1.23 -0.70 -1.23 0.00 0.00 174.94 174.87 3mkk s GLU 21 N -0.16 3.63 0.08 2.79 2.12 -1.26 -4.86 118.70 121.04 3mkk s GLU 21 Ca 0.03 1.93 -0.31 0.00 0.36 0.00 0.00 54.97 56.98 3mkk s GLU 21 Cb -0.13 -2.41 -0.08 0.00 0.26 0.00 0.00 34.13 31.76 3mkk s GLU 21 CO 0.02 -0.70 1.63 0.99 -0.54 0.00 0.00 175.26 176.66 3mkk s THR 22 N -1.45 3.02 0.55 -1.70 2.01 -1.26 -3.89 115.64 112.91 3mkk s THR 22 Ca 0.65 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.99 3mkk s THR 22 Cb -0.33 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 3mkk s THR 22 CO 0.40 0.00 1.02 0.00 -0.69 0.00 0.00 174.62 175.34 3mkk s ALA 23 N 2.44 2.93 -0.15 7.40 0.00 0.13 -4.96 121.76 129.55 3mkk s ALA 23 Ca 0.73 0.28 0.16 0.00 0.00 0.00 0.00 51.96 53.12 3mkk s ALA 23 Cb -0.40 -3.17 -0.22 0.00 0.00 0.00 0.00 23.12 19.33 3mkk s ALA 23 CO 0.32 -0.47 0.10 0.39 0.00 0.00 0.00 175.76 176.10 3mkk n GLU 24 N -1.75 1.14 -1.69 0.00 -0.58 -1.26 -4.76 120.64 111.74 3mkk n GLU 24 Ca 0.08 -0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.50 3mkk n GLU 24 Cb 0.53 -1.44 0.13 0.00 -0.57 0.00 0.00 31.44 30.10 3mkk n GLU 24 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3mkk s GLU 25 N -2.52 1.19 0.61 3.49 8.01 -1.26 -5.02 118.70 123.20 3mkk s GLU 25 Ca -0.08 0.10 -0.18 0.00 0.01 0.00 0.00 54.97 54.82 3mkk s GLU 25 Cb 0.06 -1.86 -0.04 0.00 -4.31 0.00 0.00 34.13 27.98 3mkk s GLU 25 CO 0.70 -2.13 1.00 0.00 0.01 0.00 0.00 175.26 174.85 3mkk n ALA 26 N -3.68 0.28 -1.80 5.21 0.00 -1.26 -4.91 120.51 114.34 3mkk n ALA 26 Ca 0.09 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3mkk n ALA 26 Cb 0.60 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 3mkk n ALA 26 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3mkk s PHE 27 N -1.51 2.90 -1.12 0.00 5.36 -1.26 -4.88 117.98 117.46 3mkk s PHE 27 Ca 0.77 0.64 0.28 0.00 -0.96 0.00 0.00 56.93 57.66 3mkk s PHE 27 Cb -0.41 -4.03 1.15 0.00 -0.34 0.00 0.00 43.02 39.39 3mkk s PHE 27 CO 0.46 -3.68 1.85 -0.35 -1.46 0.00 0.00 175.22 172.04 3mkk n PRO 28 N 3.15 0.13 -4.19 10.12 -0.04 -1.26 -4.80 135.00 138.10 3mkk n PRO 28 Ca 0.12 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 3mkk n PRO 28 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 3mkk n PRO 28 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mkk s TYR 29 N -2.89 0.64 0.00 0.54 2.02 -1.26 -5.11 117.35 111.29 3mkk s TYR 29 Ca 0.17 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 3mkk s TYR 29 Cb 0.19 -0.40 0.00 0.00 -0.40 0.00 0.00 41.96 41.35 3mkk s TYR 29 CO 0.54 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 3mkk n GLY 30 N 2.53 2.59 2.85 0.71 0.00 -1.26 -4.81 105.19 107.81 3mkk n GLY 30 Ca -0.15 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 0.03 -0.14 1.61 2.02 0.07 -4.98 118.70 117.31 3mkk s GLU 31 Ca 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.99 3mkk s GLU 31 Cb 0.00 -0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.11 3mkk s GLU 31 CO 0.00 -0.03 -0.05 0.42 0.02 0.00 0.00 175.26 175.62 3mkk s ILE 32 N 0.24 3.76 0.02 -1.63 -1.09 -1.26 -1.13 121.20 120.10 3mkk s ILE 32 Ca -0.02 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.03 3mkk s ILE 32 Cb -0.03 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 3mkk s ILE 32 CO -0.01 0.51 -0.14 -0.55 -1.23 0.00 0.00 174.94 173.52 3mkk s SER 33 N 0.21 1.70 0.00 3.58 0.15 -0.16 -5.01 113.70 114.16 3mkk s SER 33 Ca -0.03 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.26 3mkk s SER 33 Cb -0.14 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 3mkk s SER 33 CO 0.03 0.10 0.83 0.00 1.20 0.00 0.00 173.24 175.40 3mkk n GLN 34 N 2.26 1.46 -0.35 5.44 6.02 -1.26 -1.20 117.38 129.75 3mkk n GLN 34 Ca -0.16 -1.16 0.09 0.00 -0.01 0.00 0.00 57.00 55.76 3mkk n GLN 34 Cb 0.55 -1.02 0.28 0.00 1.02 0.00 0.00 30.24 31.06 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 0.20 0.87 -0.05 -1.09 1.63 -1.98 -3.06 116.57 113.10 3mkk h LYS 35 Ca 0.00 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3mkk h LYS 35 Cb 0.33 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3mkk h LYS 35 CO 0.00 0.58 -0.29 -1.91 -3.45 0.00 0.00 179.45 174.38 3mkk n GLU 36 N -4.65 1.59 0.00 1.90 4.07 -1.26 -5.03 120.64 117.25 3mkk n GLU 36 Ca 0.20 -3.07 0.00 0.00 -0.06 0.00 0.00 57.16 54.23 3mkk n GLU 36 Cb 0.43 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 3mkk n GLU 36 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mkk n GLY 37 N -1.18 0.82 2.97 8.31 0.00 -1.16 -4.86 105.19 110.10 3mkk n GLY 37 Ca 0.20 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 0.56 -0.18 1.61 5.36 -0.02 -4.23 117.98 121.08 3mkk s PHE 38 Ca 0.00 -0.11 -0.08 0.00 -0.96 0.00 0.00 56.93 55.78 3mkk s PHE 38 Cb 0.00 -0.36 0.07 0.00 -0.34 0.00 0.00 43.02 42.39 3mkk s PHE 38 CO 0.00 -0.01 0.41 0.00 -1.46 0.00 0.00 175.22 174.16 3mkk s ALA 39 N -0.13 -1.07 -0.21 11.12 0.00 -0.34 -1.41 121.76 129.72 3mkk s ALA 39 Ca 0.02 1.50 -0.09 0.00 0.00 0.00 0.00 51.96 53.39 3mkk s ALA 39 Cb -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3mkk s ALA 39 CO -0.00 -0.47 0.11 0.12 0.00 0.00 0.00 175.76 175.51 3mkk s PHE 40 N 1.92 3.30 -0.08 0.00 5.36 0.96 -0.99 117.98 128.45 3mkk s PHE 40 Ca -0.06 0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 3mkk s PHE 40 Cb -0.10 -2.16 0.01 0.00 -0.34 0.00 0.00 43.02 40.43 3mkk s PHE 40 CO -0.13 0.13 -0.14 0.99 -1.46 0.00 0.00 175.22 174.61 3mkk s THR 41 N 0.65 1.30 -0.03 0.12 2.01 -0.28 -0.97 115.64 118.43 3mkk s THR 41 Ca 0.06 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 3mkk s THR 41 Cb -0.13 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.23 3mkk s THR 41 CO 0.01 0.40 0.02 -0.47 -0.69 0.00 0.00 174.62 173.88 3mkk s TYR 42 N 0.75 0.24 -0.43 4.92 6.14 0.07 -0.75 117.35 128.30 3mkk s TYR 42 Ca -0.12 0.05 -0.24 0.00 0.64 0.00 0.00 57.07 57.40 3mkk s TYR 42 Cb -0.16 -0.42 0.02 0.00 0.42 0.00 0.00 41.96 41.83 3mkk s TYR 42 CO 0.03 -0.15 0.85 0.42 0.64 0.00 0.00 175.55 177.34 3mkk s ILE 43 N 1.30 4.59 0.35 3.14 -1.09 -1.26 0.61 121.20 128.84 3mkk s ILE 43 Ca -0.06 0.73 -0.25 0.00 -2.23 0.00 0.00 60.65 58.84 3mkk s ILE 43 Cb -0.13 -4.34 -0.10 0.00 -1.58 0.00 0.00 42.46 36.31 3mkk s ILE 43 CO -0.02 -0.68 0.95 -0.04 -1.23 0.00 0.00 174.94 173.91 3mkk s MET 44 N 3.45 4.49 0.60 2.79 -1.94 0.19 -4.98 119.30 123.90 3mkk s MET 44 Ca 0.34 1.30 -0.19 0.00 -1.71 0.00 0.00 55.69 55.43 3mkk s MET 44 Cb -0.12 -2.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 3mkk s MET 44 CO 0.22 0.19 1.20 0.34 -0.01 0.00 0.00 175.02 176.96 3mkk s ASP 45 N -1.73 5.20 0.49 3.03 2.15 -1.26 -4.82 116.67 119.73 3mkk s ASP 45 Ca 0.53 2.35 0.19 0.00 0.43 0.00 0.00 52.55 56.06 3mkk s ASP 45 Cb -0.17 -2.59 1.23 0.00 -0.30 0.00 0.00 42.92 41.08 3mkk s ASP 45 CO 0.22 -1.58 2.00 1.05 -0.17 0.00 0.00 175.17 176.69 3mkk h GLU 46 N 0.84 0.17 -0.01 4.34 4.11 -1.97 -1.27 114.58 120.79 3mkk h GLU 46 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3mkk h GLU 46 Cb 1.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3mkk h GLU 46 CO 0.55 0.11 -0.34 -0.25 0.07 0.00 0.00 179.01 179.15 3mkk n ASP 47 N -4.44 0.90 -4.68 3.06 8.00 -1.26 -4.95 116.55 113.19 3mkk n ASP 47 Ca 0.09 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 3mkk n ASP 47 Cb 0.46 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.89 2.35 -4.42 -2.24 8.00 -0.48 -4.85 116.55 114.02 3mkk n ASP 48 Ca 0.10 1.14 -0.32 0.00 0.71 0.00 0.00 54.79 56.42 3mkk n ASP 48 Cb 0.35 -1.46 -0.14 0.00 -0.02 0.00 0.00 41.12 39.85 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 -1.16 2.76 -0.27 0.53 1.01 -0.08 -4.97 121.20 119.02 3mkk s ILE 49 Ca 0.59 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 3mkk s ILE 49 Cb -0.55 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 39.90 3mkk s ILE 49 CO 0.60 0.58 -0.03 -0.69 0.00 0.00 0.00 174.94 175.40 3mkk s VAL 50 N -0.61 2.91 0.24 2.92 1.01 -1.26 -0.75 120.40 124.85 3mkk s VAL 50 Ca 0.09 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 3mkk s VAL 50 Cb -0.11 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3mkk s VAL 50 CO 0.01 0.05 0.43 -0.31 0.00 0.00 0.00 175.10 175.28 3mkk s TYR 51 N 1.29 3.48 -2.11 5.22 2.02 -0.35 -0.58 117.35 126.33 3mkk s TYR 51 Ca -0.03 0.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 3mkk s TYR 51 Cb -0.18 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 3mkk s TYR 51 CO -0.03 0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.69 3mkk n GLY 52 N -0.97 0.51 2.62 0.71 0.00 -1.26 -1.05 105.19 105.75 3mkk n GLY 52 Ca -0.05 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.50 0.00 0.99 4.77 -0.29 -4.89 117.00 118.09 3mkk n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3mkk n LEU 53 Cb 0.00 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 3mkk n LEU 53 CO 0.00 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 3mkk n GLY 54 N -1.12 3.22 3.56 -0.72 0.00 -1.24 -3.35 105.19 105.53 3mkk n GLY 54 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 3.05 0.27 1.61 2.12 -1.26 -4.20 118.70 120.28 3mkk s GLU 55 Ca 0.00 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 54.91 3mkk s GLU 55 Cb 0.00 -4.88 -0.03 0.00 0.26 0.00 0.00 34.13 29.49 3mkk s GLU 55 CO 0.00 -2.62 0.27 -1.54 -0.54 0.00 0.00 175.26 170.83 3mkk s SER 56 N 6.14 0.69 0.90 -1.70 1.04 -1.21 -4.21 113.70 115.35 3mkk s SER 56 Ca 0.54 -1.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.41 3mkk s SER 56 Cb -0.06 0.50 0.13 0.00 0.10 0.00 0.00 66.02 66.70 3mkk s SER 56 CO 0.03 -1.02 1.09 0.21 0.98 0.00 0.00 173.24 174.53 3mkk s ASN 57 N -3.22 3.35 1.09 7.02 3.84 -1.26 -4.88 114.94 120.89 3mkk s ASN 57 Ca 0.36 1.70 0.00 0.00 0.21 0.00 0.00 52.86 55.13 3mkk s ASN 57 Cb 0.03 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 3mkk s ASN 57 CO 0.18 -2.75 0.00 0.54 -2.79 0.00 0.00 177.10 172.28 3mkk n ARG 58 N -3.97 0.00 -2.31 0.43 1.74 -1.26 -4.96 116.66 106.33 3mkk n ARG 58 Ca 0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.07 3mkk n ARG 58 Cb 0.54 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.98 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 3.02 0.13 -0.13 0.00 -1.26 -4.80 105.19 102.14 3mkk n GLY 59 Ca 0.00 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 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 0.59 1.39 -3.26 -0.61 2.04 -1.90 -3.38 117.51 112.39 3mkk h ILE 60 Ca -0.12 -1.51 -0.57 0.00 1.00 0.00 0.00 64.86 63.66 3mkk h ILE 60 Cb 0.42 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 3mkk h ILE 60 CO 0.19 0.43 0.87 0.21 0.00 0.00 0.00 178.15 179.85 3mkk s ASN 61 N -6.22 6.88 0.18 1.72 2.47 -1.26 -4.34 114.94 114.38 3mkk s ASN 61 Ca -0.14 1.11 0.25 0.00 0.42 0.00 0.00 52.86 54.50 3mkk s ASN 61 Cb 0.04 -2.54 0.60 0.00 -1.45 0.00 0.00 41.25 37.90 3mkk s ASN 61 CO 0.76 -0.91 1.58 0.11 -3.72 0.00 0.00 177.10 174.91 3mkk h LYS 62 N 8.33 0.00 -6.51 0.43 1.79 -1.03 -3.47 116.57 116.11 3mkk h LYS 62 Ca -0.22 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.66 3mkk h LYS 62 Cb 1.07 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.85 3mkk h LYS 62 CO 1.03 0.00 -0.03 0.54 -1.08 0.00 0.00 179.45 179.91 3mkk n ARG 63 N -2.23 1.07 -0.53 3.15 1.74 -1.26 -3.80 116.66 114.80 3mkk n ARG 63 Ca 0.05 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3mkk n ARG 63 Cb 0.44 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.39 0.80 1.84 -0.13 0.00 0.17 -5.01 105.19 104.25 3mkk n GLY 64 Ca 0.10 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.45 -1.61 -5.25 1.61 9.36 -0.99 -4.69 117.16 113.13 3mkk n TYR 65 Ca 0.00 -0.94 -0.32 0.00 3.32 0.00 0.00 57.90 59.97 3mkk n TYR 65 Cb 0.04 0.44 -0.16 0.00 -0.63 0.00 0.00 39.34 39.02 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 -0.14 1.21 -0.19 0.00 2.02 -0.53 -4.59 117.35 115.12 3mkk s TYR 67 Ca -0.04 -0.47 -0.00 0.00 -0.37 0.00 0.00 57.07 56.19 3mkk s TYR 67 Cb -0.14 -0.98 0.01 0.00 -0.40 0.00 0.00 41.96 40.45 3mkk s TYR 67 CO 0.04 -0.32 -0.16 0.42 -1.57 0.00 0.00 175.55 173.95 3mkk s ILE 68 N 1.12 2.36 -0.52 2.71 1.01 -0.13 -0.31 121.20 127.44 3mkk s ILE 68 Ca -0.07 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.46 3mkk s ILE 68 Cb -0.14 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3mkk s ILE 68 CO -0.01 0.51 1.45 -0.44 0.00 0.00 0.00 174.94 176.45 3mkk s SER 69 N 1.32 6.13 -0.34 3.58 0.01 0.16 -4.26 113.70 120.30 3mkk s SER 69 Ca 0.05 0.45 -0.05 0.00 1.31 0.00 0.00 55.95 57.71 3mkk s SER 69 Cb -0.13 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.74 3mkk s SER 69 CO -0.10 -1.68 0.93 0.21 0.41 0.00 0.00 173.24 173.01 3mkk s ASN 70 N 4.54 -0.66 -0.30 2.44 2.47 -1.26 -2.24 114.94 119.94 3mkk s ASN 70 Ca 0.56 -0.31 -0.38 0.00 0.42 0.00 0.00 52.86 53.15 3mkk s ASN 70 Cb -0.12 0.88 -0.14 0.00 -1.45 0.00 0.00 41.25 40.42 3mkk s ASN 70 CO 0.27 -0.08 1.96 0.00 -3.72 0.00 0.00 177.10 175.54 3mkk s THR 72 N 5.27 0.52 -0.95 0.00 2.01 -0.50 -4.90 115.64 117.09 3mkk s THR 72 Ca 1.03 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.59 3mkk s THR 72 Cb -0.96 -0.48 0.06 0.00 0.01 0.00 0.00 72.50 71.13 3mkk s THR 72 CO 0.57 0.18 1.36 -0.62 -0.69 0.00 0.00 174.62 175.42 3mkk s ASP 73 N 0.28 6.45 -0.20 3.53 3.68 -1.26 -3.79 116.67 125.36 3mkk s ASP 73 Ca -0.03 -1.36 0.01 0.00 2.13 0.00 0.00 52.55 53.29 3mkk s ASP 73 Cb -0.08 -2.54 0.05 0.00 -1.45 0.00 0.00 42.92 38.91 3mkk s ASP 73 CO -0.00 -1.49 -0.08 -0.62 0.13 0.00 0.00 175.17 173.11 3mkk s ASP 74 N 4.54 3.44 -0.02 -0.34 -1.08 -1.26 -5.02 116.67 116.93 3mkk s ASP 74 Ca 0.41 -0.94 0.08 0.00 -0.52 0.00 0.00 52.55 51.58 3mkk s ASP 74 Cb -0.03 -1.17 0.26 0.00 -1.46 0.00 0.00 42.92 40.52 3mkk s ASP 74 CO -0.05 -0.18 1.15 -0.81 0.52 0.00 0.00 175.17 175.80 3mkk n PRO 75 N 4.71 1.80 -3.93 4.34 -0.04 -1.26 -4.60 135.00 136.02 3mkk n PRO 75 Ca -0.13 -1.03 -0.30 0.00 -0.04 0.00 0.00 63.50 62.00 3mkk n PRO 75 Cb 0.46 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.64 2.42 -1.25 0.52 1.01 -1.26 -4.72 121.20 116.29 3mkk s ILE 76 Ca 0.19 -3.11 -0.13 0.00 0.00 0.00 0.00 60.65 57.60 3mkk s ILE 76 Cb 0.11 -2.70 0.16 0.00 0.01 0.00 0.00 42.46 40.04 3mkk s ILE 76 CO 0.11 -0.78 1.61 1.41 0.00 0.00 0.00 174.94 177.29 3mkk n HIS 77 N 3.31 4.33 -3.16 3.97 8.25 -1.26 -4.92 115.22 125.73 3mkk n HIS 77 Ca 0.05 -3.15 -0.18 0.00 -0.26 0.00 0.00 57.72 54.19 3mkk n HIS 77 Cb 0.34 -2.16 0.01 0.00 1.12 0.00 0.00 29.99 29.29 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 1.45 3.37 0.40 1.59 -4.23 -1.26 -5.01 115.64 111.95 3mkk s THR 78 Ca 0.43 -0.99 0.32 0.00 -1.18 0.00 0.00 61.69 60.26 3mkk s THR 78 Cb 0.02 -3.14 0.34 0.00 1.34 0.00 0.00 72.50 71.06 3mkk s THR 78 CO 0.01 -0.05 2.11 -0.33 -0.54 0.00 0.00 174.62 175.81 3mkk h GLU 79 N 0.72 0.00 0.00 3.99 5.08 -2.04 -2.33 114.58 120.00 3mkk h GLU 79 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3mkk h GLU 79 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3mkk h GLU 79 CO 0.48 0.08 0.00 0.38 -1.00 0.00 0.00 179.01 178.94 3mkk h ASP 80 N 0.00 0.00 -3.10 1.42 2.03 -1.97 -3.47 116.42 111.34 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 0.31 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.84 3mkk h ASP 80 CO 0.01 0.00 0.71 -0.54 -1.03 0.00 0.00 179.24 178.39 3mkk s LYS 81 N -3.43 4.33 -0.08 4.15 -0.14 -0.88 -4.92 119.74 118.78 3mkk s LYS 81 Ca 0.04 2.09 0.18 0.00 -1.36 0.00 0.00 55.97 56.93 3mkk s LYS 81 Cb 0.07 -3.23 -0.24 0.00 -1.68 0.00 0.00 37.83 32.76 3mkk s LYS 81 CO 0.60 -0.40 0.41 0.54 -0.76 0.00 0.00 175.35 175.74 3mkk n ARG 82 N 3.57 0.66 -3.98 1.68 1.74 -1.26 -4.75 116.66 114.32 3mkk n ARG 82 Ca 0.10 0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.99 3mkk n ARG 82 Cb 0.42 -1.61 -0.17 0.00 -1.02 0.00 0.00 32.46 30.08 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 -5.37 1.30 0.00 0.55 0.01 -1.26 -0.95 113.70 107.97 3mkk s SER 83 Ca -0.07 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.06 3mkk s SER 83 Cb 0.09 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3mkk s SER 83 CO 0.84 -0.12 0.00 0.18 0.41 0.00 0.00 173.24 174.56 3mkk n LEU 84 N 4.57 0.00 0.13 2.44 4.77 -1.26 -4.73 117.00 122.91 3mkk n LEU 84 Ca -0.17 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.90 3mkk n LEU 84 Cb 0.50 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3mkk n LEU 84 CO 0.18 0.00 0.23 1.88 -1.33 0.00 0.00 177.39 178.35 3mkk h TYR 85 N 0.00 0.00 -3.43 -1.77 0.05 -1.85 -1.32 116.97 108.65 3mkk h TYR 85 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 3mkk h TYR 85 Cb 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.59 3mkk h TYR 85 CO 0.00 0.14 -0.66 0.20 -1.05 0.00 0.00 178.16 176.80 3mkk s GLY 86 N -4.40 1.83 -0.43 3.88 0.00 -1.26 -3.36 107.32 103.59 3mkk s GLY 86 Ca 0.02 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.84 3mkk s GLY 86 CO 0.76 -0.78 0.17 0.00 0.00 0.00 0.00 173.10 173.24 3mkk s ALA 87 N -1.01 2.94 -0.47 3.20 0.00 -0.76 -4.61 121.76 121.04 3mkk s ALA 87 Ca 0.17 -2.83 0.04 0.00 0.00 0.00 0.00 51.96 49.34 3mkk s ALA 87 Cb -0.11 -2.03 0.12 0.00 0.00 0.00 0.00 23.12 21.10 3mkk s ALA 87 CO 0.08 -1.87 0.20 -1.01 0.00 0.00 0.00 175.76 173.16 3mkk s HIS 88 N 0.35 3.36 -0.32 0.00 3.76 -1.26 -3.73 115.29 117.45 3mkk s HIS 88 Ca 0.14 -3.11 -0.00 0.00 -0.15 0.00 0.00 55.06 51.94 3mkk s HIS 88 Cb -0.23 -2.87 0.26 0.00 1.11 0.00 0.00 32.58 30.86 3mkk s HIS 88 CO -0.05 -0.81 1.89 0.09 -0.85 0.00 0.00 174.74 175.02 3mkk n ASN 89 N 3.47 5.82 -4.41 1.40 3.02 -1.26 -3.81 115.26 119.48 3mkk n ASN 89 Ca 0.05 -3.06 -0.35 0.00 -0.03 0.00 0.00 54.58 51.19 3mkk n ASN 89 Cb 0.35 -0.96 -0.13 0.00 -0.61 0.00 0.00 39.78 38.43 3mkk n ASN 89 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3mkk s PHE 90 N -1.94 2.99 0.09 3.10 5.36 -1.26 -1.44 117.98 124.88 3mkk s PHE 90 Ca 0.33 -0.58 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 3mkk s PHE 90 Cb 0.26 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.86 3mkk s PHE 90 CO 0.01 -0.29 -0.12 0.96 -1.46 0.00 0.00 175.22 174.32 3mkk s ILE 91 N 0.97 1.02 -0.13 3.12 -4.36 -0.32 -1.13 121.20 120.36 3mkk s ILE 91 Ca 0.01 -1.46 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 3mkk s ILE 91 Cb -0.15 -1.19 0.02 0.00 1.25 0.00 0.00 42.46 42.39 3mkk s ILE 91 CO 0.01 -0.39 -0.15 -0.63 0.24 0.00 0.00 174.94 174.02 3mkk s ILE 92 N -1.84 1.54 -0.18 8.37 1.09 -0.22 -0.77 121.20 129.20 3mkk s ILE 92 Ca 0.01 -0.64 -0.22 0.00 -1.10 0.00 0.00 60.65 58.70 3mkk s ILE 92 Cb -0.07 -1.43 -0.02 0.00 -1.06 0.00 0.00 42.46 39.88 3mkk s ILE 92 CO 0.01 0.45 0.70 -0.69 -0.10 0.00 0.00 174.94 175.31 3mkk s VAL 93 N 1.28 4.98 -0.15 2.92 1.01 0.22 -1.21 120.40 129.45 3mkk s VAL 93 Ca 0.00 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.32 3mkk s VAL 93 Cb -0.14 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.27 3mkk s VAL 93 CO -0.07 0.10 -0.09 -0.55 0.00 0.00 0.00 175.10 174.49 3mkk s SER 94 N 1.15 2.74 0.00 3.32 0.15 0.07 -0.93 113.70 120.19 3mkk s SER 94 Ca 0.32 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.40 3mkk s SER 94 Cb -0.16 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 3mkk s SER 94 CO 0.11 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.03 3mkk n GLY 95 N 4.83 -0.75 0.31 9.45 0.00 -1.26 -0.91 105.19 116.87 3mkk n GLY 95 Ca -0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 1.06 -5.08 1.61 1.57 -1.96 -3.36 116.57 110.41 3mkk h LYS 96 Ca 0.00 -0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 58.06 3mkk h LYS 96 Cb 0.00 -0.24 -0.26 0.00 0.08 0.00 0.00 32.23 31.81 3mkk h LYS 96 CO 0.00 0.70 -0.70 0.99 -0.57 0.00 0.00 179.45 179.87 3mkk s THR 97 N -6.13 3.56 -0.02 -0.16 2.01 -1.26 -5.12 115.64 108.52 3mkk s THR 97 Ca -0.13 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3mkk s THR 97 Cb 0.16 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 3mkk s THR 97 CO 0.79 0.43 -0.23 -0.89 -0.69 0.00 0.00 174.62 174.04 3mkk s THR 98 N 1.18 1.79 -0.14 -0.82 2.01 -1.26 -4.43 115.64 113.97 3mkk s THR 98 Ca 0.02 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 3mkk s THR 98 Cb -0.14 -1.49 0.13 0.00 0.01 0.00 0.00 72.50 71.01 3mkk s THR 98 CO -0.00 0.51 1.02 0.72 -0.69 0.00 0.00 174.62 176.17 3mkk s PHE 99 N -0.49 -0.31 0.07 4.92 -0.12 -0.10 -4.68 117.98 117.27 3mkk s PHE 99 Ca 0.08 0.42 0.05 0.00 -0.05 0.00 0.00 56.93 57.43 3mkk s PHE 99 Cb -0.09 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3mkk s PHE 99 CO -0.01 -0.35 -0.02 0.20 -0.05 0.00 0.00 175.22 174.99 3mkk s GLY 100 N -1.56 1.88 -0.04 1.99 0.00 0.30 -0.61 107.32 109.28 3mkk s GLY 100 Ca 0.02 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.66 3mkk s GLY 100 CO -0.02 -1.06 -0.11 1.08 0.00 0.00 0.00 173.10 172.98 3mkk s LEU 101 N -2.11 1.74 -0.19 0.66 1.43 0.06 -0.33 118.68 119.93 3mkk s LEU 101 Ca 0.23 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3mkk s LEU 101 Cb -0.11 -0.69 0.02 0.00 0.03 0.00 0.00 46.19 45.43 3mkk s LEU 101 CO 0.15 0.07 -0.17 0.12 0.23 0.00 0.00 176.35 176.75 3mkk s PHE 102 N 0.33 2.85 -0.53 0.29 5.36 -0.22 -1.18 117.98 124.88 3mkk s PHE 102 Ca -0.07 -1.58 -0.18 0.00 -0.96 0.00 0.00 56.93 54.15 3mkk s PHE 102 Cb -0.11 -1.95 0.08 0.00 -0.34 0.00 0.00 43.02 40.70 3mkk s PHE 102 CO 0.02 -0.77 0.57 -0.06 -1.46 0.00 0.00 175.22 173.51 3mkk s PHE 103 N 1.31 3.11 -0.81 10.12 0.08 -0.52 -1.23 117.98 130.04 3mkk s PHE 103 Ca 0.04 -0.86 -0.22 0.00 0.12 0.00 0.00 56.93 56.02 3mkk s PHE 103 Cb -0.14 -3.61 0.08 0.00 -0.57 0.00 0.00 43.02 38.78 3mkk s PHE 103 CO -0.11 -1.04 1.13 0.34 -0.10 0.00 0.00 175.22 175.44 3mkk s ASP 104 N 3.05 6.37 -0.20 1.36 2.15 0.28 -4.72 116.67 124.96 3mkk s ASP 104 Ca 0.10 -1.33 -0.10 0.00 0.43 0.00 0.00 52.55 51.65 3mkk s ASP 104 Cb -0.23 -2.45 0.07 0.00 -0.30 0.00 0.00 42.92 40.00 3mkk s ASP 104 CO 0.08 -1.38 0.47 -0.47 -0.17 0.00 0.00 175.17 173.69 3mkk s TYR 105 N 3.98 -0.73 -2.30 -5.34 5.04 -1.26 -2.80 117.35 113.94 3mkk s TYR 105 Ca 0.31 1.50 0.20 0.00 -2.44 0.00 0.00 57.07 56.64 3mkk s TYR 105 Cb -0.09 0.35 0.60 0.00 0.35 0.00 0.00 41.96 43.17 3mkk s TYR 105 CO 0.01 -0.40 1.47 -0.35 -1.34 0.00 0.00 175.55 174.94 3mkk n PRO 106 N 4.45 1.99 -1.24 4.97 -0.04 -1.26 -4.94 135.00 138.93 3mkk n PRO 106 Ca -0.21 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 3mkk n PRO 106 Cb 0.55 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.72 1.49 -4.63 3.54 2.88 -1.26 -1.39 113.62 114.97 3mkk n SER 107 Ca 0.17 -0.62 -0.43 0.00 -1.33 0.00 0.00 58.87 56.66 3mkk n SER 107 Cb 0.41 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.84 3mkk n SER 107 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3mkk s LYS 108 N -0.86 3.66 -0.11 -1.46 2.20 -1.26 -4.84 119.74 117.08 3mkk s LYS 108 Ca 0.00 2.21 0.01 0.00 -0.36 0.00 0.00 55.97 57.83 3mkk s LYS 108 Cb 0.00 -4.23 0.02 0.00 -1.51 0.00 0.00 37.83 32.11 3mkk s LYS 108 CO 0.00 -1.49 -0.14 -1.17 -0.36 0.00 0.00 175.35 172.19 3mkk s LEU 109 N 6.18 1.65 -0.23 5.43 2.96 -0.95 -4.50 118.68 129.22 3mkk s LEU 109 Ca 0.90 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.36 3mkk s LEU 109 Cb -0.36 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 3mkk s LEU 109 CO 0.37 -0.01 0.00 -0.89 -1.32 0.00 0.00 176.35 174.51 3mkk s THR 110 N 1.09 3.82 -0.47 3.68 2.01 -0.57 0.40 115.64 125.59 3mkk s THR 110 Ca -0.05 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 3mkk s THR 110 Cb -0.14 -2.75 0.10 0.00 0.01 0.00 0.00 72.50 69.71 3mkk s THR 110 CO -0.03 0.40 0.37 -0.36 -0.69 0.00 0.00 174.62 174.31 3mkk s PHE 111 N 1.41 3.31 -0.72 4.92 0.08 0.57 -1.07 117.98 126.48 3mkk s PHE 111 Ca 0.05 -1.37 -0.18 0.00 0.12 0.00 0.00 56.93 55.55 3mkk s PHE 111 Cb -0.15 -3.33 0.13 0.00 -0.57 0.00 0.00 43.02 39.10 3mkk s PHE 111 CO 0.00 -0.90 0.82 0.34 -0.10 0.00 0.00 175.22 175.38 3mkk s ASP 112 N 2.73 6.40 -1.00 1.36 -1.08 0.16 -1.46 116.67 123.78 3mkk s ASP 112 Ca 0.04 -1.82 -0.06 0.00 -0.52 0.00 0.00 52.55 50.19 3mkk s ASP 112 Cb -0.26 -2.31 0.25 0.00 -1.46 0.00 0.00 42.92 39.14 3mkk s ASP 112 CO 0.03 -1.00 0.95 -0.63 0.52 0.00 0.00 175.17 175.04 3mkk s ILE 113 N 2.20 5.24 0.00 4.11 1.01 -0.78 -0.41 121.20 132.58 3mkk s ILE 113 Ca 0.18 -3.59 0.00 0.00 0.00 0.00 0.00 60.65 57.24 3mkk s ILE 113 Cb -0.17 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3mkk s ILE 113 CO -0.00 -1.13 0.00 0.61 0.00 0.00 0.00 174.94 174.41 3mkk n GLY 114 N 2.58 0.46 0.14 6.18 0.00 -0.81 0.46 105.19 114.21 3mkk n GLY 114 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.24 0.12 1.61 3.20 -1.80 -3.32 116.97 116.55 3mkk h TYR 115 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3mkk h TYR 115 Cb 0.19 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3mkk h TYR 115 CO 0.12 0.06 -0.06 1.15 -1.64 0.00 0.00 178.16 177.79 3mkk h THR 116 N -0.53 0.96 -3.42 1.81 2.02 -1.90 -3.45 112.91 108.39 3mkk h THR 116 Ca -0.03 -1.24 -0.44 0.00 0.77 0.00 0.00 66.41 65.47 3mkk h THR 116 Cb 0.40 1.63 -0.34 0.00 -1.74 0.00 0.00 68.15 68.10 3mkk h THR 116 CO 0.04 0.26 -0.78 -0.13 0.37 0.00 0.00 175.52 175.28 3mkk s ARG 117 N -3.31 1.06 0.43 6.66 0.52 -1.26 -5.05 118.95 118.00 3mkk s ARG 117 Ca -0.13 -0.17 0.15 0.00 -0.52 0.00 0.00 55.73 55.06 3mkk s ARG 117 Cb 0.00 -1.03 1.05 0.00 0.52 0.00 0.00 34.95 35.50 3mkk s ARG 117 CO 0.50 -0.08 1.94 0.52 0.02 0.00 0.00 175.30 178.19 3mkk h MET 118 N 7.27 0.39 -0.17 3.54 2.86 -1.88 -1.65 114.93 125.29 3mkk h MET 118 Ca -0.34 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3mkk h MET 118 Cb 1.16 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3mkk h MET 118 CO 0.45 0.26 0.00 -0.40 1.06 0.00 0.00 176.91 178.28 3mkk n ASP 119 N -4.47 1.83 -4.22 1.22 5.68 -1.26 -4.47 116.55 110.86 3mkk n ASP 119 Ca 0.13 -1.72 -0.33 0.00 -0.50 0.00 0.00 54.79 52.37 3mkk n ASP 119 Cb 0.49 -0.10 -0.16 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.79 2.29 -0.23 2.12 2.01 -0.62 0.55 115.64 119.97 3mkk s THR 120 Ca 0.33 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 3mkk s THR 120 Cb 0.18 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 3mkk s THR 120 CO 0.27 0.54 0.11 -0.22 -0.69 0.00 0.00 174.62 174.64 3mkk s LEU 121 N 0.71 3.83 -0.11 4.42 2.96 0.20 -1.93 118.68 128.75 3mkk s LEU 121 Ca -0.09 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3mkk s LEU 121 Cb -0.16 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.54 3mkk s LEU 121 CO 0.01 0.05 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.28 3mkk s LYS 122 N 1.11 1.34 -0.17 1.98 2.20 0.46 -0.75 119.74 125.90 3mkk s LYS 122 Ca 0.06 -0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.43 3mkk s LYS 122 Cb -0.14 -1.52 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 3mkk s LYS 122 CO 0.04 -0.29 -0.07 0.08 -0.36 0.00 0.00 175.35 174.75 3mkk s VAL 123 N 1.75 3.39 0.01 4.02 1.01 -0.15 0.35 120.40 130.79 3mkk s VAL 123 Ca 0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3mkk s VAL 123 Cb -0.13 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3mkk s VAL 123 CO -0.08 0.48 0.07 -0.94 0.00 0.00 0.00 175.10 174.63 3mkk s SER 124 N 0.80 0.11 0.20 3.32 1.04 -0.23 -0.03 113.70 118.90 3mkk s SER 124 Ca -0.03 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.02 3mkk s SER 124 Cb -0.15 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 3mkk s SER 124 CO 0.01 -0.32 0.30 0.00 0.98 0.00 0.00 173.24 174.22 3mkk h GLU 126 N 2.48 0.81 -6.01 0.00 4.81 -1.86 -0.02 114.58 114.79 3mkk h GLU 126 Ca -0.31 -0.54 -0.68 0.00 -0.13 0.00 0.00 59.36 57.70 3mkk h GLU 126 Cb 1.24 0.07 -0.24 0.00 0.63 0.00 0.00 28.75 30.46 3mkk h GLU 126 CO 0.46 1.17 -0.76 -0.80 -0.73 0.00 0.00 179.01 178.34 3mkk s ASN 127 N -6.90 4.10 -0.72 1.04 0.01 -1.26 -4.29 114.94 106.93 3mkk s ASN 127 Ca -0.11 -0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 51.77 3mkk s ASN 127 Cb 0.09 -1.11 0.01 0.00 0.41 0.00 0.00 41.25 40.65 3mkk s ASN 127 CO 0.88 0.29 2.83 0.00 -1.51 0.00 0.00 177.10 179.59 3mkk n ALA 128 N 2.66 6.64 -3.88 0.60 0.00 -1.26 -4.62 120.51 120.64 3mkk n ALA 128 Ca -0.18 -3.17 -0.29 0.00 0.00 0.00 0.00 53.44 49.81 3mkk n ALA 128 Cb 0.52 -2.45 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 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 0.79 4.37 0.20 0.00 1.01 -1.25 -2.63 116.67 119.16 3mkk s ASP 129 Ca 0.60 -3.37 -0.22 0.00 0.71 0.00 0.00 52.55 50.27 3mkk s ASP 129 Cb 0.30 -1.53 0.05 0.00 1.01 0.00 0.00 42.92 42.75 3mkk s ASP 129 CO -0.14 -0.16 0.63 -1.48 0.21 0.00 0.00 175.17 174.23 3mkk s LEU 130 N -0.76 -0.42 -0.12 1.23 2.34 -0.27 -4.41 118.68 116.27 3mkk s LEU 130 Ca 0.21 -0.23 -0.03 0.00 0.06 0.00 0.00 54.13 54.15 3mkk s LEU 130 Cb -0.15 2.60 -0.03 0.00 -0.56 0.00 0.00 46.19 48.05 3mkk s LEU 130 CO -0.08 -1.09 -0.02 -1.81 -1.06 0.00 0.00 176.35 172.28 3mkk s ASP 131 N -2.81 4.98 -0.21 1.48 1.01 -1.12 0.14 116.67 120.14 3mkk s ASP 131 Ca 0.05 -0.00 -0.01 0.00 0.71 0.00 0.00 52.55 53.29 3mkk s ASP 131 Cb -0.03 -1.59 0.01 0.00 1.01 0.00 0.00 42.92 42.32 3mkk s ASP 131 CO -0.06 0.27 -0.11 -0.63 0.21 0.00 0.00 175.17 174.85 3mkk s ILE 132 N -0.24 2.68 -0.22 0.77 1.01 0.71 -0.55 121.20 125.35 3mkk s ILE 132 Ca 0.05 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 3mkk s ILE 132 Cb -0.13 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3mkk s ILE 132 CO 0.02 0.41 0.66 -0.31 0.00 0.00 0.00 174.94 175.72 3mkk s TYR 133 N 1.35 3.34 -0.24 3.97 2.02 -0.36 -0.32 117.35 127.12 3mkk s TYR 133 Ca 0.04 0.93 -0.12 0.00 -0.37 0.00 0.00 57.07 57.55 3mkk s TYR 133 Cb -0.14 -2.85 -0.05 0.00 -0.40 0.00 0.00 41.96 38.52 3mkk s TYR 133 CO -0.08 -0.25 0.22 0.08 -1.57 0.00 0.00 175.55 173.95 3mkk s VAL 134 N 2.23 5.32 -0.14 0.71 1.01 0.09 -1.06 120.40 128.55 3mkk s VAL 134 Ca 0.29 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 3mkk s VAL 134 Cb -0.16 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3mkk s VAL 134 CO 0.09 0.31 -0.13 -0.63 0.00 0.00 0.00 175.10 174.74 3mkk s ILE 135 N 1.21 2.94 0.20 2.22 1.09 0.55 -1.80 121.20 127.60 3mkk s ILE 135 Ca 0.10 -0.69 0.06 0.00 -1.10 0.00 0.00 60.65 59.02 3mkk s ILE 135 Cb -0.14 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 38.98 3mkk s ILE 135 CO 0.06 0.52 0.14 -1.61 -0.10 0.00 0.00 174.94 173.94 3mkk s GLU 136 N 0.56 2.84 0.00 2.79 8.01 -0.30 -0.54 118.70 132.06 3mkk s GLU 136 Ca -0.08 -0.97 0.00 0.00 0.01 0.00 0.00 54.97 53.92 3mkk s GLU 136 Cb -0.16 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.09 3mkk s GLU 136 CO 0.04 0.45 0.00 0.41 0.01 0.00 0.00 175.26 176.17 3mkk n GLY 137 N -0.61 0.52 0.31 -1.39 0.00 -1.26 -4.71 105.19 98.05 3mkk n GLY 137 Ca -0.08 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 3mkk n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mkk h GLU 138 N 0.00 0.92 -3.65 1.61 5.08 -1.95 -3.47 114.58 113.11 3mkk h GLU 138 Ca 0.00 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 3mkk h GLU 138 Cb 0.00 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 3mkk h GLU 138 CO 0.00 0.83 -0.03 0.54 -1.00 0.00 0.00 179.01 179.35 3mkk s ASN 139 N -6.55 0.36 0.27 1.42 2.20 -1.26 -5.00 114.94 106.38 3mkk s ASN 139 Ca -0.10 -1.21 -0.01 0.00 -0.94 0.00 0.00 52.86 50.60 3mkk s ASN 139 Cb 0.15 0.70 0.37 0.00 -2.00 0.00 0.00 41.25 40.47 3mkk s ASN 139 CO 0.82 -1.36 1.77 0.00 -2.94 0.00 0.00 177.10 175.38 3mkk h ALA 140 N 2.11 1.13 -0.54 3.54 0.00 -1.93 -2.14 119.26 121.43 3mkk h ALA 140 Ca -0.28 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3mkk h ALA 140 Cb 1.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3mkk h ALA 140 CO 0.38 0.55 -0.04 -0.92 0.00 0.00 0.00 179.25 179.22 3mkk h TYR 141 N 0.69 1.09 -0.29 0.00 3.20 -1.94 0.17 116.97 119.89 3mkk h TYR 141 Ca 0.13 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.81 3mkk h TYR 141 Cb 0.46 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3mkk h TYR 141 CO 0.02 1.00 0.16 0.22 -1.64 0.00 0.00 178.16 177.92 3mkk h ASP 142 N 0.86 0.25 -0.57 -2.11 3.58 -1.86 -0.51 116.42 116.06 3mkk h ASP 142 Ca 0.15 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.62 3mkk h ASP 142 Cb 0.59 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 3mkk h ASP 142 CO 0.04 0.19 0.36 0.40 -2.88 0.00 0.00 179.24 177.35 3mkk h ILE 143 N 0.33 1.11 -0.26 2.25 2.04 -1.01 -1.21 117.51 120.76 3mkk h ILE 143 Ca 0.12 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3mkk h ILE 143 Cb 0.01 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3mkk h ILE 143 CO -0.06 0.13 0.16 0.58 0.00 0.00 0.00 178.15 178.96 3mkk h VAL 144 N 0.73 1.09 -0.87 1.67 2.07 -0.53 -1.59 116.25 118.82 3mkk h VAL 144 Ca 0.22 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3mkk h VAL 144 Cb -0.04 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3mkk h VAL 144 CO -0.07 0.09 0.57 0.11 0.02 0.00 0.00 177.57 178.29 3mkk h LYS 145 N 0.33 1.12 -0.99 1.57 1.57 -0.84 -0.09 116.57 119.24 3mkk h LYS 145 Ca 0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mkk h LYS 145 Cb 0.00 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.01 3mkk h LYS 145 CO -0.02 0.74 0.64 1.96 -0.57 0.00 0.00 179.45 182.20 3mkk h GLN 146 N 1.15 1.32 -0.65 3.15 4.20 -0.94 -2.53 115.11 120.81 3mkk h GLN 146 Ca 0.33 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 3mkk h GLN 146 Cb -0.09 -0.29 -0.03 0.00 0.30 0.00 0.00 27.48 27.38 3mkk h GLN 146 CO -0.09 0.89 0.15 0.35 -0.67 0.00 0.00 178.83 179.46 3mkk h PHE 147 N 1.35 1.10 -0.40 2.96 3.57 -0.67 -3.03 116.94 121.82 3mkk h PHE 147 Ca 0.36 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3mkk h PHE 147 Cb -0.13 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.29 3mkk h PHE 147 CO 0.00 0.91 0.12 0.00 -2.23 0.00 0.00 178.31 177.11 3mkk h ARG 148 N 0.97 0.59 0.04 1.11 2.47 -0.76 -2.47 114.38 116.33 3mkk h ARG 148 Ca 0.20 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3mkk h ARG 148 Cb 0.37 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3mkk h ARG 148 CO 0.00 0.52 -0.04 -0.09 0.56 0.00 0.00 179.97 180.93 3mkk h ARG 149 N 0.58 -0.09 0.00 0.04 2.43 -1.35 -3.24 114.38 112.76 3mkk h ARG 149 Ca 0.14 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3mkk h ARG 149 Cb 0.19 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3mkk h ARG 149 CO -0.01 -0.06 0.00 -0.39 -1.51 0.00 0.00 179.97 178.01 3mkk h VAL 150 N -0.09 0.00 -0.01 0.20 -1.51 -1.35 -3.17 116.25 110.33 3mkk h VAL 150 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 3mkk h VAL 150 Cb 0.09 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 3mkk h VAL 150 CO -0.01 0.00 -0.28 2.30 -1.23 0.00 0.00 177.57 178.35 3mkk n ILE 151 N -2.78 0.00 0.00 7.19 -5.35 -0.97 -0.71 119.36 116.74 3mkk n ILE 151 Ca 0.03 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 3mkk n ILE 151 Cb 0.40 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 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 1.35 0.38 3.66 3.28 0.00 -1.20 -4.39 105.19 108.27 3mkk n GLY 152 Ca 0.12 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 0.71 1.81 -2.24 1.61 0.63 -1.26 -4.85 116.66 113.07 3mkk n ARG 153 Ca 0.00 0.64 -0.37 0.00 -0.92 0.00 0.00 57.85 57.20 3mkk n ARG 153 Cb 0.00 -2.20 -0.01 0.00 0.45 0.00 0.00 32.46 30.71 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 -0.47 6.06 0.20 6.15 0.01 -1.26 -4.35 113.70 120.04 3mkk s SER 154 Ca 0.58 2.30 -0.30 0.00 1.31 0.00 0.00 55.95 59.84 3mkk s SER 154 Cb -0.58 -2.60 -0.16 0.00 0.21 0.00 0.00 66.02 62.89 3mkk s SER 154 CO 0.60 -0.99 0.92 0.00 0.41 0.00 0.00 173.24 174.18 3mkk n TYR 155 N -0.63 0.72 -4.20 2.43 9.36 0.99 -4.92 117.16 120.91 3mkk n TYR 155 Ca 0.08 0.80 -0.33 0.00 3.32 0.00 0.00 57.90 61.77 3mkk n TYR 155 Cb 0.48 -2.16 -0.16 0.00 -0.63 0.00 0.00 39.34 36.87 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 -0.68 2.29 0.65 2.97 1.01 -1.26 -4.77 121.20 121.40 3mkk s ILE 156 Ca 0.67 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 3mkk s ILE 156 Cb -0.86 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 3mkk s ILE 156 CO 0.56 0.52 1.03 -2.16 0.00 0.00 0.00 174.94 174.89 3mkk s PRO 157 N 1.21 3.14 0.61 2.79 0.04 -1.26 -4.84 135.00 136.69 3mkk s PRO 157 Ca 0.03 0.47 -0.18 0.00 0.04 0.00 0.00 61.00 61.36 3mkk s PRO 157 Cb -0.14 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3mkk s PRO 157 CO -0.09 -0.79 1.18 -1.25 0.04 0.00 0.00 177.00 176.09 3mkk s PRO 158 N -5.21 2.89 0.44 0.56 0.04 -1.26 -4.94 135.00 127.51 3mkk s PRO 158 Ca 0.56 1.71 0.11 0.00 0.04 0.00 0.00 61.00 63.42 3mkk s PRO 158 Cb -0.11 -1.93 0.96 0.00 0.04 0.00 0.00 34.50 33.46 3mkk s PRO 158 CO 0.51 -1.24 2.04 -0.22 0.04 0.00 0.00 177.00 178.13 3mkk h LYS 159 N 0.64 0.28 -0.07 4.56 3.64 -1.48 -0.65 116.57 123.49 3mkk h LYS 159 Ca -0.49 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3mkk h LYS 159 Cb 1.28 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3mkk h LYS 159 CO 0.54 0.26 0.10 0.27 -2.27 0.00 0.00 179.45 178.35 3mkk h PHE 160 N 0.28 0.00 0.00 1.91 -5.15 -1.92 -0.23 116.94 111.82 3mkk h PHE 160 Ca 0.07 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.84 3mkk h PHE 160 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.27 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 -2.25 2.06 1.46 12.09 0.00 -0.25 -1.51 120.51 132.11 3mkk n ALA 161 Ca -0.01 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.43 3mkk n ALA 161 Cb 0.19 -1.35 0.40 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.36 0.16 -0.74 0.00 3.72 -0.10 -4.71 117.46 114.42 3mkk n PHE 162 Ca 0.08 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3mkk n PHE 162 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.01 -0.50 3.89 1.37 0.00 -0.57 -4.92 105.19 105.45 3mkk n GLY 163 Ca 0.15 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.15 3.58 0.05 1.61 5.36 -1.26 -4.43 117.98 122.73 3mkk s PHE 164 Ca 0.00 0.52 0.07 0.00 -0.96 0.00 0.00 56.93 56.56 3mkk s PHE 164 Cb 0.00 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 3mkk s PHE 164 CO 0.00 0.66 -0.19 0.20 -1.46 0.00 0.00 175.22 174.43 3mkk s GLY 165 N -1.54 1.04 -0.11 13.12 0.00 -0.08 -0.83 107.32 118.92 3mkk s GLY 165 Ca 0.24 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3mkk s GLY 165 CO 0.13 -0.97 -0.18 1.62 0.00 0.00 0.00 173.10 173.71 3mkk s GLN 166 N -1.27 2.47 0.06 2.90 2.00 -0.40 -1.70 119.66 123.72 3mkk s GLN 166 Ca 0.06 -0.66 0.04 0.00 -2.00 0.00 0.00 55.36 52.79 3mkk s GLN 166 Cb -0.09 -2.03 -0.03 0.00 0.80 0.00 0.00 33.01 31.67 3mkk s GLN 166 CO 0.02 -0.01 -0.11 -1.12 -0.50 0.00 0.00 175.29 173.57 3mkk s SER 167 N 0.83 1.31 -0.16 6.67 0.01 0.46 -0.97 113.70 121.83 3mkk s SER 167 Ca -0.09 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 56.42 3mkk s SER 167 Cb -0.16 -0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.12 3mkk s SER 167 CO 0.00 -0.16 0.42 -0.60 0.41 0.00 0.00 173.24 173.32 3mkk s ARG 168 N -1.84 0.46 -0.58 12.44 3.52 -1.26 -3.49 118.95 128.20 3mkk s ARG 168 Ca -0.04 0.68 -0.27 0.00 -0.13 0.00 0.00 55.73 55.97 3mkk s ARG 168 Cb -0.09 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.41 3mkk s ARG 168 CO 0.01 -0.10 1.86 -0.46 -0.81 0.00 0.00 175.30 175.80 3mkk s TRP 169 N 0.73 1.67 0.00 5.12 -0.00 -0.53 -2.36 118.94 123.56 3mkk s TRP 169 Ca -0.04 0.80 0.00 0.00 -0.00 0.00 0.00 56.10 56.86 3mkk s TRP 169 Cb -0.05 -4.08 0.00 0.00 -0.00 0.00 0.00 33.47 29.34 3mkk s TRP 169 CO -0.05 -2.37 0.00 0.41 -0.00 0.00 0.00 176.95 174.94 3mkk n GLY 170 N 5.67 0.79 3.70 5.86 0.00 -1.26 -3.49 105.19 116.46 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 2.75 0.00 1.61 2.02 -1.00 -4.79 117.35 117.95 3mkk s TYR 171 Ca 0.00 0.56 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 3mkk s TYR 171 Cb 0.00 -3.86 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 3mkk s TYR 171 CO 0.00 -3.31 0.00 2.41 -1.57 0.00 0.00 175.55 173.08 3mkk n THR 172 N 4.44 0.01 -3.43 -0.71 -1.04 -1.26 -4.52 114.28 107.76 3mkk n THR 172 Ca 0.14 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.97 3mkk n THR 172 Cb 0.41 -0.85 -0.01 0.00 -1.82 0.00 0.00 70.33 68.06 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 3.73 0.21 12.58 -4.23 -1.26 -4.73 115.64 119.94 3mkk s THR 173 Ca 0.00 -1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 59.35 3mkk s THR 173 Cb 0.00 -3.28 0.15 0.00 1.34 0.00 0.00 72.50 70.71 3mkk s THR 173 CO 0.00 -0.12 1.74 0.11 -0.54 0.00 0.00 174.62 175.81 3mkk h LYS 174 N 0.90 0.39 -0.62 3.99 1.57 -2.00 -1.91 116.57 118.90 3mkk h LYS 174 Ca -0.44 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.44 3mkk h LYS 174 Cb 1.26 -0.09 -0.11 0.00 0.08 0.00 0.00 32.23 33.37 3mkk h LYS 174 CO 0.52 0.26 -0.06 1.49 -0.57 0.00 0.00 179.45 181.09 3mkk h GLU 175 N 0.40 0.07 -0.31 3.15 4.81 -1.96 0.25 114.58 120.99 3mkk h GLU 175 Ca 0.31 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 3mkk h GLU 175 Cb 0.38 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3mkk h GLU 175 CO -0.31 0.04 0.01 -0.44 -0.73 0.00 0.00 179.01 177.58 3mkk h ASP 176 N 0.07 -0.11 -0.23 1.04 3.32 -1.75 -0.60 116.42 118.16 3mkk h ASP 176 Ca 0.31 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.29 3mkk h ASP 176 Cb 0.50 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3mkk h ASP 176 CO -0.57 -0.02 -0.38 -0.26 -1.72 0.00 0.00 179.24 176.29 3mkk h PHE 177 N 0.10 0.91 -0.42 4.55 0.04 -0.92 -2.60 116.94 118.61 3mkk h PHE 177 Ca 0.15 -0.26 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 3mkk h PHE 177 Cb 0.20 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3mkk h PHE 177 CO -0.22 1.02 0.05 0.00 -0.60 0.00 0.00 178.31 178.57 3mkk h ARG 178 N 0.63 0.65 -0.35 1.51 3.08 -0.25 -1.27 114.38 118.38 3mkk h ARG 178 Ca 0.06 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3mkk h ARG 178 Cb 0.92 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3mkk h ARG 178 CO 0.08 0.63 -0.29 0.00 -1.07 0.00 0.00 179.97 179.33 3mkk h ALA 179 N 1.44 0.84 0.12 0.04 0.00 -0.88 0.04 119.26 120.86 3mkk h ALA 179 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3mkk h ALA 179 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mkk h ALA 179 CO 0.01 0.64 -0.06 0.28 0.00 0.00 0.00 179.25 180.11 3mkk h VAL 180 N 0.63 0.97 -0.38 0.00 2.07 -1.14 -0.67 116.25 117.72 3mkk h VAL 180 Ca 0.08 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.34 3mkk h VAL 180 Cb 0.80 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 3mkk h VAL 180 CO 0.07 0.08 -0.22 0.00 0.02 0.00 0.00 177.57 177.52 3mkk h ALA 181 N 0.54 0.03 -0.34 1.67 0.00 -1.05 -2.26 119.26 117.85 3mkk h ALA 181 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3mkk h ALA 181 Cb 0.26 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3mkk h ALA 181 CO 0.03 -0.60 0.13 0.87 0.00 0.00 0.00 179.25 179.68 3mkk h LYS 182 N -0.16 0.52 -0.57 0.00 1.57 -0.97 -0.54 116.57 116.42 3mkk h LYS 182 Ca 0.18 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3mkk h LYS 182 Cb 0.45 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3mkk h LYS 182 CO -0.47 0.52 0.38 0.78 -0.57 0.00 0.00 179.45 180.08 3mkk h GLY 183 N 0.41 0.75 0.00 3.86 0.00 -0.89 0.11 103.07 107.32 3mkk h GLY 183 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3mkk h GLY 183 CO -0.01 0.24 -0.20 -0.97 0.00 0.00 0.00 176.54 175.59 3mkk h TYR 184 N 0.67 0.00 -0.20 5.60 -1.99 -1.33 -3.35 116.97 116.38 3mkk h TYR 184 Ca 0.22 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 3mkk h TYR 184 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 3mkk h TYR 184 CO -0.00 1.02 -0.08 0.00 -0.00 0.00 0.00 178.16 179.11 3mkk h ARG 185 N -1.00 0.40 0.00 4.88 2.47 -0.82 -0.78 114.38 119.53 3mkk h ARG 185 Ca -0.06 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 3mkk h ARG 185 Cb 1.00 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.30 3mkk h ARG 185 CO -0.03 0.68 -0.07 0.93 0.56 0.00 0.00 179.97 182.03 3mkk h GLU 186 N 0.10 0.00 -0.39 0.04 5.08 -1.00 -0.84 114.58 117.57 3mkk h GLU 186 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3mkk h GLU 186 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3mkk h GLU 186 CO 0.02 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 3mkk n ASN 187 N -3.29 2.92 -3.06 1.42 3.02 -1.01 -4.95 115.26 110.31 3mkk n ASN 187 Ca -0.01 -1.93 -0.22 0.00 -0.03 0.00 0.00 54.58 52.39 3mkk n ASN 187 Cb 0.26 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3mkk n ASN 187 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3mkk n HIS 188 N 1.13 -1.84 -3.33 3.10 8.25 -0.32 -4.95 115.22 117.25 3mkk n HIS 188 Ca 0.19 0.45 -0.38 0.00 -0.26 0.00 0.00 57.72 57.71 3mkk n HIS 188 Cb 0.51 -3.92 -0.07 0.00 1.12 0.00 0.00 29.99 27.63 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 -3.07 5.17 0.51 1.59 1.01 -0.37 -4.96 121.20 121.08 3mkk s ILE 189 Ca 0.30 0.81 -0.22 0.00 0.00 0.00 0.00 60.65 61.54 3mkk s ILE 189 Cb -0.14 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 3mkk s ILE 189 CO 0.37 0.23 1.26 -2.84 0.00 0.00 0.00 174.94 173.97 3mkk s PRO 190 N 1.36 3.39 -0.15 2.79 0.02 -1.26 -4.45 135.00 136.70 3mkk s PRO 190 Ca 0.21 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 3mkk s PRO 190 Cb -0.15 -2.29 0.11 0.00 0.02 0.00 0.00 34.50 32.18 3mkk s PRO 190 CO 0.09 -0.92 0.89 -1.50 -0.33 0.00 0.00 177.00 175.22 3mkk s ILE 191 N -1.43 0.00 0.00 2.83 2.07 -0.86 -4.78 121.20 119.03 3mkk s ILE 191 Ca 0.69 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.93 3mkk s ILE 191 Cb -0.35 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.24 3mkk s ILE 191 CO 0.41 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 173.91 3mkk n ASP 192 N 1.07 3.62 -3.85 4.50 8.00 -0.01 -4.50 116.55 125.38 3mkk n ASP 192 Ca -0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.24 3mkk n ASP 192 Cb 0.57 0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 42.21 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 -1.48 0.02 -0.11 -1.24 -1.94 -1.07 -0.25 119.30 113.23 3mkk s MET 193 Ca 0.00 0.05 0.02 0.00 -1.71 0.00 0.00 55.69 54.06 3mkk s MET 193 Cb 0.00 -0.02 0.01 0.00 2.01 0.00 0.00 34.83 36.83 3mkk s MET 193 CO 0.00 -0.02 -0.18 0.42 -0.01 0.00 0.00 175.02 175.23 3mkk s ILE 194 N 0.15 1.67 0.12 2.53 1.01 -1.04 -1.28 121.20 124.36 3mkk s ILE 194 Ca -0.01 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 3mkk s ILE 194 Cb -0.02 -1.49 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 3mkk s ILE 194 CO -0.00 0.47 0.70 -0.31 0.00 0.00 0.00 174.94 175.80 3mkk s TYR 195 N 0.77 3.85 -0.31 3.97 1.51 -0.15 -1.31 117.35 125.69 3mkk s TYR 195 Ca -0.11 1.49 -0.10 0.00 -1.01 0.00 0.00 57.07 57.34 3mkk s TYR 195 Cb -0.16 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.00 3mkk s TYR 195 CO 0.01 0.51 0.16 -1.64 -1.11 0.00 0.00 175.55 173.49 3mkk s MET 196 N -1.01 3.39 0.54 -0.62 -1.94 -0.51 -4.45 119.30 114.69 3mkk s MET 196 Ca 0.34 -0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 53.62 3mkk s MET 196 Cb -0.22 -3.59 0.11 0.00 2.01 0.00 0.00 34.83 33.14 3mkk s MET 196 CO 0.23 -0.40 0.74 -3.47 -0.01 0.00 0.00 175.02 172.11 3mkk n ASP 197 N 5.00 0.90 0.33 3.03 -0.08 -1.26 -1.54 116.55 122.93 3mkk n ASP 197 Ca -0.14 -1.78 0.19 0.00 -1.51 0.00 0.00 54.79 51.55 3mkk n ASP 197 Cb 0.49 -0.48 1.01 0.00 2.34 0.00 0.00 41.12 44.48 3mkk n ASP 197 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3mkk h ILE 198 N -0.62 0.02 0.00 5.18 3.07 -1.92 -2.01 117.51 121.24 3mkk h ILE 198 Ca -0.24 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.17 3mkk h ILE 198 Cb 0.88 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 3mkk h ILE 198 CO 0.25 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.82 3mkk n ASP 199 N -3.02 0.00 0.20 2.16 8.00 -1.26 -2.96 116.55 119.68 3mkk n ASP 199 Ca -0.02 0.48 0.14 0.00 0.71 0.00 0.00 54.79 56.10 3mkk n ASP 199 Cb 0.24 -0.49 0.43 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 -4.40 1.24 -0.00 -1.59 -3.46 116.97 108.76 3mkk h TYR 200 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 58.73 58.25 3mkk h TYR 200 Cb 0.31 0.00 0.08 0.00 0.00 0.00 0.00 36.73 37.12 3mkk h TYR 200 CO 0.00 0.00 0.38 -1.64 -0.00 0.00 0.00 178.16 176.90 3mkk s MET 201 N -3.35 2.66 -0.43 0.10 -1.94 -1.15 -0.34 119.30 114.84 3mkk s MET 201 Ca 0.05 0.32 -0.26 0.00 -1.71 0.00 0.00 55.69 54.10 3mkk s MET 201 Cb 0.08 -2.04 0.02 0.00 2.01 0.00 0.00 34.83 34.91 3mkk s MET 201 CO 0.57 -1.12 0.93 -1.14 -0.01 0.00 0.00 175.02 174.25 3mkk s GLN 202 N -5.36 3.64 -1.47 2.03 2.00 -1.26 -3.78 119.66 115.46 3mkk s GLN 202 Ca 0.59 0.31 -0.04 0.00 -2.00 0.00 0.00 55.36 54.22 3mkk s GLN 202 Cb -0.11 -3.88 0.03 0.00 0.80 0.00 0.00 33.01 29.85 3mkk s GLN 202 CO 0.50 -1.14 0.48 -0.25 -0.50 0.00 0.00 175.29 174.38 3mkk n ASP 203 N 7.06 -0.89 -1.61 6.67 8.00 -1.26 -1.21 116.55 133.30 3mkk n ASP 203 Ca 0.07 -1.01 -0.21 0.00 0.71 0.00 0.00 54.79 54.35 3mkk n ASP 203 Cb 0.48 -2.96 -0.08 0.00 -0.02 0.00 0.00 41.12 38.53 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 -4.42 -0.05 -2.92 1.24 3.72 -1.26 -4.74 117.46 109.03 3mkk n PHE 204 Ca -0.24 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.75 3mkk n PHE 204 Cb 0.65 -3.46 -0.05 0.00 -0.94 0.00 0.00 39.48 35.68 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 -3.80 4.10 0.14 -1.08 1.02 -0.35 -4.65 119.74 115.11 3mkk s LYS 205 Ca 0.00 0.79 -0.35 0.00 0.02 0.00 0.00 55.97 56.44 3mkk s LYS 205 Cb 0.00 -3.68 -0.16 0.00 -0.52 0.00 0.00 37.83 33.48 3mkk s LYS 205 CO 0.00 -0.57 1.32 -0.25 -0.92 0.00 0.00 175.35 174.92 3mkk n ASP 206 N 6.07 1.81 -1.01 2.83 8.00 -1.26 -2.20 116.55 130.79 3mkk n ASP 206 Ca 0.05 1.12 -0.09 0.00 0.71 0.00 0.00 54.79 56.58 3mkk n ASP 206 Cb 0.48 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 2.24 -0.41 -4.39 1.24 3.72 -1.26 -4.95 117.46 113.65 3mkk n PHE 207 Ca 0.17 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.37 3mkk n PHE 207 Cb 0.23 -2.26 -0.10 0.00 -0.94 0.00 0.00 39.48 36.41 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 -2.44 1.64 0.03 4.37 -4.23 -0.93 -5.00 115.64 109.07 3mkk s THR 208 Ca 0.00 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.42 3mkk s THR 208 Cb 0.00 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 3mkk s THR 208 CO 0.00 -0.42 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.79 3mkk s VAL 209 N -3.03 1.42 -0.10 2.29 1.01 -1.26 -4.21 120.40 116.53 3mkk s VAL 209 Ca 0.27 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 3mkk s VAL 209 Cb 0.02 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 3mkk s VAL 209 CO 0.10 0.18 1.85 0.21 0.00 0.00 0.00 175.10 177.44 3mkk s ASN 210 N -0.99 6.30 0.31 3.32 3.84 0.54 -4.11 114.94 124.16 3mkk s ASN 210 Ca 0.05 2.16 0.10 0.00 0.21 0.00 0.00 52.86 55.38 3mkk s ASN 210 Cb -0.08 -2.53 0.52 0.00 -0.55 0.00 0.00 41.25 38.61 3mkk s ASN 210 CO 0.01 -1.24 1.72 1.05 -2.79 0.00 0.00 177.10 175.85 3mkk h GLU 211 N 11.20 0.09 -0.13 0.43 4.11 -1.91 0.15 114.58 128.52 3mkk h GLU 211 Ca -0.42 -0.05 -0.20 0.00 0.07 0.00 0.00 59.36 58.77 3mkk h GLU 211 Cb 1.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.46 3mkk h GLU 211 CO 0.96 0.53 -0.70 -0.22 0.07 0.00 0.00 179.01 179.66 3mkk h LYS 212 N 0.07 0.71 0.06 1.06 3.64 -2.00 -3.21 116.57 116.90 3mkk h LYS 212 Ca 0.00 -0.58 -0.26 0.00 -1.27 0.00 0.00 60.65 58.54 3mkk h LYS 212 Cb 0.85 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3mkk h LYS 212 CO 0.06 1.20 -1.29 -0.91 -2.27 0.00 0.00 179.45 176.24 3mkk h ASN 213 N 0.40 0.21 -2.31 4.20 2.35 -1.89 -3.40 115.58 115.13 3mkk h ASN 213 Ca -0.05 -0.25 -0.59 0.00 -0.55 0.00 0.00 56.30 54.86 3mkk h ASN 213 Cb 1.33 -0.07 -0.40 0.00 0.05 0.00 0.00 38.32 39.23 3mkk h ASN 213 CO 0.14 1.21 -0.84 0.49 -1.65 0.00 0.00 177.43 176.78 3mkk n PHE 214 N -3.38 1.36 0.43 1.19 3.72 0.52 -4.51 117.46 116.79 3mkk n PHE 214 Ca -0.08 -3.82 0.12 0.00 -0.05 0.00 0.00 57.45 53.62 3mkk n PHE 214 Cb 1.00 -0.34 0.48 0.00 -0.94 0.00 0.00 39.48 39.68 3mkk n PHE 214 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3mkk h PRO 215 N 4.59 0.00 -2.02 -1.08 0.13 -1.78 -3.24 132.00 128.60 3mkk h PRO 215 Ca 0.16 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.75 3mkk h PRO 215 Cb 0.80 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.53 3mkk h PRO 215 CO 0.60 0.00 -1.10 -3.47 -0.23 0.00 0.00 178.00 173.80 3mkk n ASP 216 N -2.31 0.69 -0.27 1.44 -0.08 -1.26 -4.98 116.55 109.78 3mkk n ASP 216 Ca 0.03 -2.86 0.04 0.00 -1.51 0.00 0.00 54.79 50.48 3mkk n ASP 216 Cb 0.28 -0.63 0.18 0.00 2.34 0.00 0.00 41.12 43.28 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 3.64 0.68 -0.68 -0.67 3.57 -1.97 -1.68 116.94 119.83 3mkk h PHE 217 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3mkk h PHE 217 Cb 0.89 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 3mkk h PHE 217 CO 0.43 0.20 0.40 -1.35 -2.23 0.00 0.00 178.31 175.75 3mkk h PRO 218 N 0.60 0.92 -0.72 6.41 0.11 -1.93 0.73 132.00 138.13 3mkk h PRO 218 Ca 0.40 -0.08 0.08 0.00 0.11 0.00 0.00 66.00 66.50 3mkk h PRO 218 Cb 0.50 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.36 3mkk h PRO 218 CO -0.32 0.66 0.39 1.49 -0.21 0.00 0.00 178.00 180.01 3mkk h GLU 219 N 0.94 0.67 -0.16 1.05 4.22 -1.68 -2.15 114.58 117.47 3mkk h GLU 219 Ca 0.24 -0.04 -0.20 0.00 0.08 0.00 0.00 59.36 59.45 3mkk h GLU 219 Cb -0.02 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3mkk h GLU 219 CO -0.04 0.44 -0.70 0.35 -2.18 0.00 0.00 179.01 176.88 3mkk h PHE 220 N 0.69 0.88 -0.80 0.92 3.57 -0.61 -0.03 116.94 121.55 3mkk h PHE 220 Ca 0.34 -0.37 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3mkk h PHE 220 Cb 0.28 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3mkk h PHE 220 CO -0.08 1.16 0.53 0.28 -2.23 0.00 0.00 178.31 177.97 3mkk h VAL 221 N 0.47 1.19 -0.34 1.41 2.07 -0.75 -1.94 116.25 118.37 3mkk h VAL 221 Ca -0.03 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 3mkk h VAL 221 Cb 1.30 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3mkk h VAL 221 CO 0.14 0.20 -0.17 0.50 0.02 0.00 0.00 177.57 178.25 3mkk h LYS 222 N 1.07 0.73 -0.76 1.57 3.64 -1.19 -0.03 116.57 121.59 3mkk h LYS 222 Ca 0.30 -0.32 0.17 0.00 -1.27 0.00 0.00 60.65 59.53 3mkk h LYS 222 Cb -0.10 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.56 3mkk h LYS 222 CO -0.07 0.93 -0.07 1.49 -2.27 0.00 0.00 179.45 179.46 3mkk h GLU 223 N 0.50 0.05 -0.16 1.90 4.81 -0.63 0.23 114.58 121.29 3mkk h GLU 223 Ca 0.08 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 3mkk h GLU 223 Cb 0.72 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3mkk h GLU 223 CO 0.05 0.04 -0.30 0.52 -0.73 0.00 0.00 179.01 178.58 3mkk h MET 224 N 0.06 0.50 -0.51 1.92 2.86 -1.16 -3.29 114.93 115.29 3mkk h MET 224 Ca 0.40 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3mkk h MET 224 Cb 0.68 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 3mkk h MET 224 CO -0.72 0.92 0.12 -0.22 1.06 0.00 0.00 176.91 178.06 3mkk h LYS 225 N 0.13 0.79 0.00 1.72 3.64 -0.40 0.00 116.57 122.45 3mkk h LYS 225 Ca 0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3mkk h LYS 225 Cb 0.90 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3mkk h LYS 225 CO 0.07 0.72 0.01 -0.25 -2.27 0.00 0.00 179.45 177.72 3mkk n ASP 226 N -4.28 0.49 -0.96 4.20 8.00 0.77 -0.47 116.55 124.30 3mkk n ASP 226 Ca 0.04 0.73 0.08 0.00 0.71 0.00 0.00 54.79 56.34 3mkk n ASP 226 Cb 0.23 -0.79 0.25 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.16 3.13 -3.85 -1.24 6.02 -0.14 -4.96 117.38 114.18 3mkk n GLN 227 Ca -0.01 -2.61 -0.29 0.00 -0.01 0.00 0.00 57.00 54.08 3mkk n GLN 227 Cb 0.03 -1.68 0.04 0.00 1.02 0.00 0.00 30.24 29.65 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 0.13 -6.00 -4.03 -1.09 -0.58 0.38 -5.01 120.64 104.44 3mkk n GLU 228 Ca 0.19 0.64 -0.33 0.00 -0.42 0.00 0.00 57.16 57.24 3mkk n GLU 228 Cb 0.75 -5.56 -0.15 0.00 -0.57 0.00 0.00 31.44 25.91 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 -7.28 3.07 -0.30 -4.62 1.43 -0.46 -4.33 118.68 106.19 3mkk s LEU 229 Ca 0.64 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3mkk s LEU 229 Cb -0.31 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3mkk s LEU 229 CO 0.81 -0.13 0.20 -0.13 0.23 0.00 0.00 176.35 177.34 3mkk s ARG 230 N 1.24 3.81 0.06 1.70 0.52 0.66 -2.58 118.95 124.36 3mkk s ARG 230 Ca -0.02 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 3mkk s ARG 230 Cb -0.17 -3.70 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 3mkk s ARG 230 CO -0.06 -0.26 1.17 -0.51 0.02 0.00 0.00 175.30 175.66 3mkk s LEU 231 N 1.75 4.37 -0.50 2.53 1.43 -1.26 -2.49 118.68 124.51 3mkk s LEU 231 Ca 0.07 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 55.19 3mkk s LEU 231 Cb -0.16 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.60 3mkk s LEU 231 CO 0.11 -0.44 0.24 -0.63 0.23 0.00 0.00 176.35 175.86 3mkk s ILE 232 N 1.01 2.62 0.40 -0.59 -1.09 -0.42 -4.51 121.20 118.61 3mkk s ILE 232 Ca 0.58 -3.16 -0.17 0.00 -2.23 0.00 0.00 60.65 55.67 3mkk s ILE 232 Cb -0.29 -2.82 -0.09 0.00 -1.58 0.00 0.00 42.46 37.68 3mkk s ILE 232 CO 0.29 -0.77 0.87 -2.84 -1.23 0.00 0.00 174.94 171.25 3mkk s PRO 233 N -0.10 4.07 0.33 2.79 0.02 -1.24 -1.42 135.00 139.45 3mkk s PRO 233 Ca 0.16 0.88 -0.18 0.00 0.02 0.00 0.00 61.00 61.89 3mkk s PRO 233 Cb -0.25 -2.28 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 3mkk s PRO 233 CO -0.01 -0.01 0.80 -1.50 -0.33 0.00 0.00 177.00 175.95 3mkk s ILE 234 N -2.20 4.57 -0.04 2.83 2.07 -0.59 -2.09 121.20 125.75 3mkk s ILE 234 Ca 0.58 1.18 0.02 0.00 -1.41 0.00 0.00 60.65 61.01 3mkk s ILE 234 Cb -0.10 -3.67 0.01 0.00 0.13 0.00 0.00 42.46 38.84 3mkk s ILE 234 CO 0.19 -0.14 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.37 3mkk s ILE 235 N -1.94 0.77 0.27 2.00 -1.09 0.31 -4.91 121.20 116.60 3mkk s ILE 235 Ca 0.54 -0.30 0.06 0.00 -2.23 0.00 0.00 60.65 58.72 3mkk s ILE 235 Cb -0.11 -0.72 -0.02 0.00 -1.58 0.00 0.00 42.46 40.02 3mkk s ILE 235 CO 0.17 0.26 0.37 -1.81 -1.23 0.00 0.00 174.94 172.70 3mkk s ASP 236 N 0.55 6.07 0.27 3.58 1.01 -1.26 -2.36 116.67 124.54 3mkk s ASP 236 Ca -0.09 -0.07 0.05 0.00 0.71 0.00 0.00 52.55 53.15 3mkk s ASP 236 Cb -0.12 -1.58 0.39 0.00 1.01 0.00 0.00 42.92 42.61 3mkk s ASP 236 CO 0.01 -0.18 1.66 0.00 0.21 0.00 0.00 175.17 176.87 3mkk h ALA 237 N 1.13 1.03 -2.01 5.23 0.00 -1.76 -3.43 119.26 119.45 3mkk h ALA 237 Ca -0.49 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.41 3mkk h ALA 237 Cb 1.24 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3mkk h ALA 237 CO 0.58 0.62 0.87 0.20 0.00 0.00 0.00 179.25 181.53 3mkk s GLY 238 N -4.21 1.56 -0.23 0.00 0.00 -1.26 -4.18 107.32 99.00 3mkk s GLY 238 Ca -0.05 0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.59 3mkk s GLY 238 CO 0.78 2.36 0.55 0.14 0.00 0.00 0.00 173.10 176.94 3mkk s VAL 239 N 3.70 5.06 0.22 1.40 1.01 0.11 -4.72 120.40 127.17 3mkk s VAL 239 Ca 0.49 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 63.15 3mkk s VAL 239 Cb -0.15 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 3mkk s VAL 239 CO 0.15 0.11 1.65 -0.75 0.00 0.00 0.00 175.10 176.26 3mkk s LYS 240 N 2.08 4.15 -0.44 2.72 2.20 -1.26 -0.66 119.74 128.53 3mkk s LYS 240 Ca 0.24 2.53 -0.29 0.00 -0.36 0.00 0.00 55.97 58.10 3mkk s LYS 240 Cb -0.16 -3.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3mkk s LYS 240 CO 0.09 -0.68 1.46 0.08 -0.36 0.00 0.00 175.35 175.94 3mkk s VAL 241 N 0.86 3.83 -0.26 4.02 1.01 -0.34 -4.62 120.40 124.90 3mkk s VAL 241 Ca 0.71 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 3mkk s VAL 241 Cb -0.48 -4.19 0.10 0.00 0.00 0.00 0.00 36.38 31.81 3mkk s VAL 241 CO 0.36 -0.80 0.61 -0.70 0.00 0.00 0.00 175.10 174.56 3mkk s GLU 242 N 5.16 0.58 0.22 2.72 2.12 -1.26 -4.91 118.70 123.33 3mkk s GLU 242 Ca 0.62 1.23 -0.31 0.00 0.36 0.00 0.00 54.97 56.86 3mkk s GLU 242 Cb -0.14 0.40 -0.11 0.00 0.26 0.00 0.00 34.13 34.53 3mkk s GLU 242 CO 0.31 -0.18 1.65 0.21 -0.54 0.00 0.00 175.26 176.71 3mkk s LYS 243 N 2.16 4.14 0.00 4.30 2.20 -1.26 -2.37 119.74 128.91 3mkk s LYS 243 Ca -0.08 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 3mkk s LYS 243 Cb -0.09 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 3mkk s LYS 243 CO -0.18 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 3mkk n GLY 244 N 3.40 3.15 3.61 5.54 0.00 -1.26 -5.01 105.19 114.62 3mkk n GLY 244 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.44 2.35 0.38 1.61 5.04 -1.00 -4.91 117.35 118.37 3mkk s TYR 245 Ca 0.00 0.69 0.05 0.00 -2.44 0.00 0.00 57.07 55.37 3mkk s TYR 245 Cb 0.00 -4.13 0.74 0.00 0.35 0.00 0.00 41.96 38.92 3mkk s TYR 245 CO 0.00 -2.20 2.00 0.93 -1.34 0.00 0.00 175.55 174.94 3mkk h GLU 246 N 10.62 0.60 -0.53 4.97 5.08 -1.95 0.14 114.58 133.51 3mkk h GLU 246 Ca -0.29 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 3mkk h GLU 246 Cb 1.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3mkk h GLU 246 CO 1.05 0.45 0.23 0.28 -1.00 0.00 0.00 179.01 180.02 3mkk h VAL 247 N 0.61 1.21 0.00 3.13 2.07 -1.92 -1.67 116.25 119.68 3mkk h VAL 247 Ca 0.16 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3mkk h VAL 247 Cb 0.04 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3mkk h VAL 247 CO -0.02 0.24 -0.00 0.22 0.02 0.00 0.00 177.57 178.03 3mkk h TYR 248 N 0.71 -0.00 -0.35 1.57 3.20 -1.29 -2.49 116.97 118.32 3mkk h TYR 248 Ca 0.18 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.11 3mkk h TYR 248 Cb 0.17 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 3mkk h TYR 248 CO 0.00 0.38 -0.04 0.93 -1.64 0.00 0.00 178.16 177.79 3mkk h GLU 249 N -0.38 0.05 -0.81 1.82 4.39 -0.76 -2.24 114.58 116.64 3mkk h GLU 249 Ca -0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3mkk h GLU 249 Cb 0.38 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 3mkk h GLU 249 CO 0.00 0.03 0.42 0.93 -1.16 0.00 0.00 179.01 179.24 3mkk h GLU 250 N 0.05 1.15 -0.33 2.33 5.08 -1.37 -1.02 114.58 120.47 3mkk h GLU 250 Ca 0.17 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3mkk h GLU 250 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3mkk h GLU 250 CO -0.32 0.85 -0.23 0.78 -1.00 0.00 0.00 179.01 179.10 3mkk h GLY 251 N 1.17 0.70 0.55 -3.84 0.00 -1.12 -1.51 103.07 99.02 3mkk h GLY 251 Ca 0.28 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3mkk h GLY 251 CO -0.04 0.53 -0.20 -2.08 0.00 0.00 0.00 176.54 174.76 3mkk h VAL 252 N 0.57 0.36 -0.62 4.60 2.07 -1.18 -0.20 116.25 121.85 3mkk h VAL 252 Ca 0.08 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3mkk h VAL 252 Cb 0.70 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3mkk h VAL 252 CO 0.05 0.07 0.41 0.50 0.02 0.00 0.00 177.57 178.63 3mkk h LYS 253 N -1.00 0.63 -0.55 1.57 3.64 -1.14 -2.26 116.57 117.45 3mkk h LYS 253 Ca -0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3mkk h LYS 253 Cb 0.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3mkk h LYS 253 CO 0.09 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.78 3mkk n ASN 254 N -4.47 3.69 -3.69 4.20 3.02 -0.57 -4.97 115.26 112.46 3mkk n ASN 254 Ca 0.08 -1.99 -0.24 0.00 -0.03 0.00 0.00 54.58 52.40 3mkk n ASN 254 Cb 0.20 -0.36 0.05 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.55 -4.00 -0.49 6.41 3.02 -0.85 -4.90 115.26 116.00 3mkk n ASN 255 Ca 0.22 -0.69 0.13 0.00 -0.03 0.00 0.00 54.58 54.20 3mkk n ASN 255 Cb 0.61 -4.49 0.27 0.00 -0.61 0.00 0.00 39.78 35.56 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 -4.60 0.00 -3.48 3.10 4.01 -0.13 -4.94 117.16 111.12 3mkk n TYR 256 Ca -0.10 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.36 3mkk n TYR 256 Cb 0.59 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.29 3.48 0.28 -0.72 0.08 -1.24 -0.19 117.98 117.37 3mkk s PHE 257 Ca 0.27 0.54 -0.30 0.00 0.12 0.00 0.00 56.93 57.56 3mkk s PHE 257 Cb 0.20 -2.01 -0.11 0.00 -0.57 0.00 0.00 43.02 40.52 3mkk s PHE 257 CO 0.45 0.26 1.57 0.00 -0.10 0.00 0.00 175.22 177.40 3mkk s LYS 259 N -0.39 1.73 0.95 0.00 1.02 -1.21 -1.35 119.74 120.49 3mkk s LYS 259 Ca 0.63 -1.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 3mkk s LYS 259 Cb -0.47 -2.00 0.16 0.00 -0.52 0.00 0.00 37.83 35.01 3mkk s LYS 259 CO 0.46 0.43 1.09 1.03 -0.92 0.00 0.00 175.35 177.44 3mkk s ARG 260 N -2.57 0.76 0.29 1.68 0.52 0.12 -0.62 118.95 119.14 3mkk s ARG 260 Ca 0.21 0.98 0.05 0.00 -0.52 0.00 0.00 55.73 56.44 3mkk s ARG 260 Cb -0.09 -1.74 0.73 0.00 0.52 0.00 0.00 34.95 34.37 3mkk s ARG 260 CO 0.11 -2.63 1.74 1.49 0.02 0.00 0.00 175.30 176.03 3mkk h GLU 261 N -1.84 0.56 0.00 3.54 4.81 -1.89 0.42 114.58 120.19 3mkk h GLU 261 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3mkk h GLU 261 Cb 1.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3mkk h GLU 261 CO 0.51 0.37 0.00 -0.40 -0.73 0.00 0.00 179.01 178.76 3mkk n ASP 262 N -4.90 0.00 0.00 1.04 5.75 -1.26 -4.88 116.55 112.30 3mkk n ASP 262 Ca 0.22 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 3mkk n ASP 262 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3mkk n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mkk n GLY 263 N 0.38 1.03 3.78 6.12 0.00 0.14 -5.04 105.19 111.59 3mkk n GLY 263 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.06 5.88 -0.18 1.61 1.04 -1.26 -4.78 113.70 112.95 3mkk s SER 264 Ca 0.00 2.15 -0.29 0.00 0.48 0.00 0.00 55.95 58.29 3mkk s SER 264 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 3mkk s SER 264 CO 0.00 -1.11 1.40 -1.81 0.98 0.00 0.00 173.24 172.70 3mkk s ASP 265 N -1.76 6.74 0.22 7.02 1.01 -1.26 0.12 116.67 128.76 3mkk s ASP 265 Ca 0.71 1.67 -0.30 0.00 0.71 0.00 0.00 52.55 55.34 3mkk s ASP 265 Cb -0.23 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 3mkk s ASP 265 CO 0.27 -0.95 1.34 0.12 0.21 0.00 0.00 175.17 176.16 3mkk s PHE 266 N 4.08 3.19 -0.23 4.23 5.36 -0.46 -4.83 117.98 129.32 3mkk s PHE 266 Ca 0.61 1.20 -0.08 0.00 -0.96 0.00 0.00 56.93 57.69 3mkk s PHE 266 Cb -0.23 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 38.75 3mkk s PHE 266 CO 0.21 -2.05 0.10 0.08 -1.46 0.00 0.00 175.22 172.11 3mkk s VAL 267 N -0.03 4.77 -0.07 3.12 1.01 -1.26 -4.36 120.40 123.58 3mkk s VAL 267 Ca 0.57 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.56 3mkk s VAL 267 Cb -0.38 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3mkk s VAL 267 CO 0.40 0.37 -0.18 0.00 0.00 0.00 0.00 175.10 175.70 3mkk s ALA 268 N 1.10 1.68 0.02 5.51 0.00 -0.54 -3.80 121.76 125.74 3mkk s ALA 268 Ca 0.05 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3mkk s ALA 268 Cb -0.14 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3mkk s ALA 268 CO 0.04 0.22 0.93 0.00 0.00 0.00 0.00 175.76 176.95 3mkk s ALA 269 N 0.41 3.21 0.00 0.00 0.00 0.31 -0.79 121.76 124.90 3mkk s ALA 269 Ca -0.14 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3mkk s ALA 269 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3mkk s ALA 269 CO 0.05 -0.15 0.00 0.28 0.00 0.00 0.00 175.76 175.94 3mkk n VAL 270 N 3.56 0.00 -0.36 0.00 0.31 -0.09 -0.65 118.33 121.11 3mkk n VAL 270 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.41 3mkk n VAL 270 Cb 0.51 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.64 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 1.17 0.00 3.52 4.06 -1.95 -0.53 115.95 122.21 3mkk h TRP 271 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3mkk h TRP 271 Cb 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 29.16 27.78 3mkk h TRP 271 CO 0.00 0.54 0.00 -2.30 -3.56 0.00 0.00 178.44 173.12 3mkk n PRO 272 N -4.56 0.80 0.00 0.49 -0.02 -1.26 -4.96 135.00 125.48 3mkk n PRO 272 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3mkk n PRO 272 Cb 0.26 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.53 0.49 3.70 -1.23 0.00 -0.21 -4.89 105.19 103.58 3mkk n GLY 273 Ca 0.15 -1.00 -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 4.05 3.93 -4.27 1.61 8.00 -1.26 -0.91 116.55 127.69 3mkk n ASP 274 Ca 0.00 1.02 -0.15 0.00 0.71 0.00 0.00 54.79 56.37 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 2.15 0.81 0.17 -3.53 -4.23 0.03 -1.20 115.64 109.83 3mkk s THR 275 Ca 0.80 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.40 3mkk s THR 275 Cb -0.51 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 3mkk s THR 275 CO 0.36 -0.45 -0.10 -1.00 -0.54 0.00 0.00 174.62 172.89 3mkk s HIS 276 N -3.57 2.63 -0.25 3.99 3.76 0.17 -1.47 115.29 120.55 3mkk s HIS 276 Ca 0.25 -0.22 -0.10 0.00 -0.15 0.00 0.00 55.06 54.83 3mkk s HIS 276 Cb 0.06 -1.30 -0.05 0.00 1.11 0.00 0.00 32.58 32.40 3mkk s HIS 276 CO 0.05 0.50 0.16 -0.06 -0.85 0.00 0.00 174.74 174.54 3mkk s PHE 277 N -1.63 3.28 0.51 1.40 0.08 -1.26 -0.72 117.98 119.64 3mkk s PHE 277 Ca 0.24 0.18 -0.23 0.00 0.12 0.00 0.00 56.93 57.24 3mkk s PHE 277 Cb -0.09 -2.29 -0.07 0.00 -0.57 0.00 0.00 43.02 40.00 3mkk s PHE 277 CO 0.15 -0.00 1.29 -2.30 -0.10 0.00 0.00 175.22 174.25 3mkk n PRO 278 N 4.49 1.71 -2.66 0.24 -0.02 -1.26 -0.74 135.00 136.77 3mkk n PRO 278 Ca -0.15 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3mkk n PRO 278 Cb 0.52 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.80 6.71 0.55 2.55 -1.08 0.73 -4.60 116.67 120.73 3mkk s ASP 279 Ca 0.68 -2.09 0.37 0.00 -0.52 0.00 0.00 52.55 51.00 3mkk s ASP 279 Cb -0.45 -2.53 1.96 0.00 -1.46 0.00 0.00 42.92 40.44 3mkk s ASP 279 CO 0.52 -1.24 2.13 0.24 0.52 0.00 0.00 175.17 177.35 3mkk h MET 280 N 8.52 0.00 -0.02 4.34 2.86 -1.88 -0.32 114.93 128.43 3mkk h MET 280 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3mkk h MET 280 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3mkk h MET 280 CO 1.38 0.00 -0.14 1.28 1.06 0.00 0.00 176.91 180.50 3mkk n LEU 281 N -2.84 1.84 -4.57 1.22 4.32 -1.26 -4.70 117.00 111.02 3mkk n LEU 281 Ca -0.02 -0.61 -0.40 0.00 -0.02 0.00 0.00 56.01 54.96 3mkk n LEU 281 Cb 0.09 -0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 41.76 3mkk n LEU 281 CO 0.18 0.32 -0.00 0.21 -1.22 0.00 0.00 177.39 176.88 3mkk s ASN 282 N -2.19 6.17 0.28 -1.43 3.84 -0.13 -4.63 114.94 116.84 3mkk s ASN 282 Ca 0.29 -0.04 0.02 0.00 0.21 0.00 0.00 52.86 53.33 3mkk s ASN 282 Cb 0.20 -2.18 0.58 0.00 -0.55 0.00 0.00 41.25 39.30 3mkk s ASN 282 CO 0.41 -0.23 1.81 -0.65 -2.79 0.00 0.00 177.10 175.64 3mkk h PRO 283 N 8.36 0.85 -0.14 0.43 0.11 -1.86 0.20 132.00 139.96 3mkk h PRO 283 Ca -0.31 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.58 3mkk h PRO 283 Cb 1.16 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3mkk h PRO 283 CO 0.65 0.56 -0.62 0.93 -0.21 0.00 0.00 178.00 179.31 3mkk h GLU 284 N 0.88 0.48 -0.60 1.05 4.39 -1.93 -1.35 114.58 117.49 3mkk h GLU 284 Ca 0.50 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 3mkk h GLU 284 Cb 0.60 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 3mkk h GLU 284 CO -0.30 0.95 0.13 0.00 -1.16 0.00 0.00 179.01 178.63 3mkk h ALA 285 N 0.97 0.79 -0.50 3.43 0.00 -1.66 -1.89 119.26 120.40 3mkk h ALA 285 Ca -0.01 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3mkk h ALA 285 Cb 1.17 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3mkk h ALA 285 CO 0.11 0.51 0.21 0.00 0.00 0.00 0.00 179.25 180.09 3mkk h ARG 286 N 0.88 0.40 -0.30 0.00 3.08 -0.81 -1.04 114.38 116.59 3mkk h ARG 286 Ca 0.19 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 3mkk h ARG 286 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3mkk h ARG 286 CO 0.00 0.27 0.06 -0.22 -1.07 0.00 0.00 179.97 179.01 3mkk h LYS 287 N 0.42 0.49 -0.10 0.04 3.64 -1.17 -1.13 116.57 118.75 3mkk h LYS 287 Ca 0.23 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3mkk h LYS 287 Cb 0.20 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3mkk h LYS 287 CO -0.20 0.58 -0.10 2.35 -2.27 0.00 0.00 179.45 179.81 3mkk h TRP 288 N 0.31 -0.24 0.29 1.91 7.01 -1.14 -0.71 115.95 123.38 3mkk h TRP 288 Ca 0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 3mkk h TRP 288 Cb 0.32 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 3mkk h TRP 288 CO 0.02 -0.15 -0.14 0.35 -2.79 0.00 0.00 178.44 175.73 3mkk h PHE 289 N -0.12 -0.36 -0.57 2.65 3.57 -1.19 -3.12 116.94 117.80 3mkk h PHE 289 Ca 0.07 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3mkk h PHE 289 Cb 0.23 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 3mkk h PHE 289 CO -0.21 -0.22 0.15 0.78 -2.23 0.00 0.00 178.31 176.58 3mkk h GLY 290 N -0.41 0.74 1.77 2.40 0.00 -1.16 -1.83 103.07 104.59 3mkk h GLY 290 Ca -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.26 3mkk h GLY 290 CO 0.07 -0.07 0.09 -0.55 0.00 0.00 0.00 176.54 176.08 3mkk h ASP 291 N 0.29 0.00 0.54 0.19 3.32 -1.08 -1.73 116.42 117.96 3mkk h ASP 291 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 3mkk h ASP 291 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3mkk h ASP 291 CO -0.35 0.00 -0.02 0.11 -1.72 0.00 0.00 179.24 177.26 3mkk h LYS 292 N 0.00 0.00 -0.36 3.56 1.79 -1.27 -2.02 116.57 118.27 3mkk h LYS 292 Ca 0.04 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.61 3mkk h LYS 292 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 3mkk h LYS 292 CO -0.00 0.02 0.40 1.88 -1.08 0.00 0.00 179.45 180.67 3mkk h TYR 293 N 0.00 0.00 -0.37 -1.35 -1.99 -1.46 -1.94 116.97 109.86 3mkk h TYR 293 Ca -0.00 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.82 3mkk h TYR 293 Cb 0.29 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 3mkk h TYR 293 CO 0.00 0.00 0.26 -0.09 -0.00 0.00 0.00 178.16 178.33 3mkk h ARG 294 N 0.00 0.10 -0.97 4.88 2.43 -1.58 0.55 114.38 119.79 3mkk h ARG 294 Ca 0.17 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.46 3mkk h ARG 294 Cb 0.97 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.41 3mkk h ARG 294 CO -0.00 0.07 0.62 0.35 -1.51 0.00 0.00 179.97 179.49 3mkk h PHE 295 N 0.11 1.06 0.11 2.20 3.57 -1.58 -0.83 116.94 121.57 3mkk h PHE 295 Ca 0.17 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.38 3mkk h PHE 295 Cb 0.56 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3mkk h PHE 295 CO -0.00 0.40 -1.71 -0.07 -2.23 0.00 0.00 178.31 174.70 3mkk h LEU 296 N 0.90 0.36 -1.01 0.59 3.38 -1.14 -3.34 115.31 115.05 3mkk h LEU 296 Ca 0.49 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.69 3mkk h LEU 296 Cb 0.57 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3mkk h LEU 296 CO -0.26 1.73 0.64 0.40 0.09 0.00 0.00 178.44 181.05 3mkk h ILE 297 N -0.20 1.03 0.00 1.22 2.04 -1.15 -1.06 117.51 119.39 3mkk h ILE 297 Ca -0.37 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3mkk h ILE 297 Cb 1.85 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3mkk h ILE 297 CO 0.04 0.20 0.00 0.44 0.00 0.00 0.00 178.15 178.83 3mkk h ASP 298 N 1.11 0.00 -0.14 1.72 3.32 -1.32 -1.61 116.42 119.50 3mkk h ASP 298 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3mkk h ASP 298 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3mkk h ASP 298 CO -0.21 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.31 3mkk n GLN 299 N -2.63 2.01 0.00 3.56 6.02 -0.42 -4.94 117.38 120.97 3mkk n GLN 299 Ca 0.01 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 3mkk n GLN 299 Cb 0.24 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 1.27 0.94 3.75 1.08 0.00 -0.61 -4.57 105.19 107.06 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 4.39 0.00 -0.61 -1.09 -1.07 -4.93 121.20 115.88 3mkk s ILE 301 Ca 0.00 1.93 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 3mkk s ILE 301 Cb 0.00 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3mkk s ILE 301 CO 0.00 0.42 0.85 -0.62 -1.23 0.00 0.00 174.94 174.36 3mkk n GLU 302 N 2.17 2.03 -3.57 2.79 1.02 -1.26 -4.30 120.64 119.51 3mkk n GLU 302 Ca -0.01 -1.21 -0.06 0.00 -0.02 0.00 0.00 57.16 55.85 3mkk n GLU 302 Cb 0.49 -0.93 -0.02 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.72 -0.39 0.10 0.62 0.00 -1.26 -1.53 107.32 104.13 3mkk s GLY 303 Ca 0.00 0.89 -0.10 0.00 0.00 0.00 0.00 44.72 45.51 3mkk s GLY 303 CO 0.00 0.28 0.22 -1.36 0.00 0.00 0.00 173.10 172.24 3mkk s PHE 304 N -3.03 0.11 0.05 1.90 0.08 0.02 -3.68 117.98 113.43 3mkk s PHE 304 Ca 0.07 -0.53 0.03 0.00 0.12 0.00 0.00 56.93 56.63 3mkk s PHE 304 Cb -0.01 -0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.40 3mkk s PHE 304 CO -0.06 -0.57 -0.09 1.67 -0.10 0.00 0.00 175.22 176.07 3mkk s TRP 305 N -3.86 0.77 -0.11 0.36 1.48 -0.89 -3.15 118.94 113.54 3mkk s TRP 305 Ca 0.05 -0.51 0.02 0.00 -1.06 0.00 0.00 56.10 54.61 3mkk s TRP 305 Cb 0.04 -0.45 -0.01 0.00 -1.16 0.00 0.00 33.47 31.89 3mkk s TRP 305 CO -0.11 -0.06 -0.20 -0.80 -4.06 0.00 0.00 176.95 171.73 3mkk s ASN 306 N -1.66 3.45 0.46 -2.66 0.02 -0.58 -0.53 114.94 113.44 3mkk s ASN 306 Ca -0.08 -0.47 0.03 0.00 -1.02 0.00 0.00 52.86 51.32 3mkk s ASN 306 Cb -0.09 -1.49 -0.03 0.00 0.02 0.00 0.00 41.25 39.66 3mkk s ASN 306 CO 0.01 0.16 0.03 0.00 0.02 0.00 0.00 177.10 177.31 3mkk s ALA 307 N 0.37 3.62 -1.50 0.60 0.00 -0.99 -2.38 121.76 121.48 3mkk s ALA 307 Ca -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3mkk s ALA 307 Cb -0.17 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3mkk s ALA 307 CO 0.07 -0.12 0.00 -1.33 0.00 0.00 0.00 175.76 174.39 3mkk n MET 308 N -1.11 -1.13 -1.02 0.00 2.81 -1.26 -3.38 117.12 112.02 3mkk n MET 308 Ca -0.13 0.92 -0.10 0.00 -1.81 0.00 0.00 57.70 56.58 3mkk n MET 308 Cb 0.67 -5.15 0.25 0.00 -0.71 0.00 0.00 33.22 28.28 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 -0.66 4.13 -0.32 7.83 6.94 -1.26 -1.54 115.26 130.38 3mkk n ASN 309 Ca -0.16 -3.41 -0.04 0.00 -0.02 0.00 0.00 54.58 50.95 3mkk n ASN 309 Cb 0.56 -0.75 0.10 0.00 -2.36 0.00 0.00 39.78 37.33 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 1.88 1.22 -6.91 -3.83 3.07 -1.91 -2.49 114.58 105.62 3mkk h GLU 310 Ca 0.36 -0.15 -0.46 0.00 -0.50 0.00 0.00 59.36 58.60 3mkk h GLU 310 Cb 2.35 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 30.01 3mkk h GLU 310 CO 0.77 0.91 0.34 -1.25 -1.40 0.00 0.00 179.01 178.38 3mkk s PRO 311 N -5.77 4.54 0.29 2.33 0.04 -1.26 -4.61 135.00 130.56 3mkk s PRO 311 Ca -0.12 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 61.94 3mkk s PRO 311 Cb 0.17 -2.73 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 3mkk s PRO 311 CO 0.83 0.24 0.94 0.00 0.04 0.00 0.00 177.00 179.05 3mkk s ALA 312 N -1.68 3.26 -0.15 8.56 0.00 -0.59 -4.98 121.76 126.17 3mkk s ALA 312 Ca 0.52 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 3mkk s ALA 312 Cb -0.17 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.80 3mkk s ALA 312 CO 0.22 0.19 -0.01 0.42 0.00 0.00 0.00 175.76 176.59 3mkk s ILE 313 N -1.45 0.72 0.18 0.00 1.01 -1.26 -4.89 121.20 115.51 3mkk s ILE 313 Ca 0.47 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 3mkk s ILE 313 Cb -0.21 -1.02 0.04 0.00 0.01 0.00 0.00 42.46 41.28 3mkk s ILE 313 CO 0.27 0.03 1.60 -0.26 0.00 0.00 0.00 174.94 176.58 3mkk h PHE 314 N 8.21 1.11 -1.75 3.97 0.04 -1.20 0.33 116.94 127.66 3mkk h PHE 314 Ca -0.20 -0.24 0.21 0.00 2.80 0.00 0.00 57.97 60.54 3mkk h PHE 314 Cb 1.12 -0.27 -0.17 0.00 2.20 0.00 0.00 35.95 38.82 3mkk h PHE 314 CO 0.40 1.05 0.70 1.52 -0.60 0.00 0.00 178.31 181.38 3mkk s TYR 315 N -4.79 -0.20 0.40 -0.55 -0.85 -1.24 -3.92 117.35 106.20 3mkk s TYR 315 Ca -0.11 0.12 0.08 0.00 -0.52 0.00 0.00 57.07 56.63 3mkk s TYR 315 Cb 0.13 0.52 -0.00 0.00 0.38 0.00 0.00 41.96 42.99 3mkk s TYR 315 CO 0.86 -0.32 0.50 -1.54 -1.52 0.00 0.00 175.55 173.53 3mkk s SER 316 N -2.30 5.60 0.27 -0.18 1.04 -1.26 -0.53 113.70 116.34 3mkk s SER 316 Ca 0.08 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 3mkk s SER 316 Cb -0.01 -0.78 0.40 0.00 0.10 0.00 0.00 66.02 65.74 3mkk s SER 316 CO -0.06 -0.65 1.91 0.28 0.98 0.00 0.00 173.24 175.69 3mkk h SER 317 N 0.79 1.03 -0.13 7.02 0.02 -1.98 0.22 113.55 120.52 3mkk h SER 317 Ca -0.42 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 3mkk h SER 317 Cb 1.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3mkk h SER 317 CO 0.49 0.69 0.05 -0.33 -1.14 0.00 0.00 176.83 176.59 3mkk h GLU 318 N 1.19 0.20 -0.39 3.45 3.07 -1.95 -2.22 114.58 117.92 3mkk h GLU 318 Ca 0.40 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 3mkk h GLU 318 Cb 0.08 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3mkk h GLU 318 CO -0.14 0.29 0.20 0.78 -1.40 0.00 0.00 179.01 178.75 3mkk h GLY 319 N 0.06 0.59 0.60 -3.84 0.00 -1.89 -1.37 103.07 97.22 3mkk h GLY 319 Ca 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.14 3mkk h GLY 319 CO -0.00 0.27 0.08 -2.00 0.00 0.00 0.00 176.54 174.89 3mkk h LEU 320 N 0.50 0.03 -0.37 3.11 6.46 -0.91 0.95 115.31 125.08 3mkk h LEU 320 Ca 0.14 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3mkk h LEU 320 Cb 0.09 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3mkk h LEU 320 CO -0.02 0.06 0.22 0.00 -0.62 0.00 0.00 178.44 178.07 3mkk h ALA 321 N 1.25 0.47 0.05 1.25 0.00 -1.08 0.11 119.26 121.32 3mkk h ALA 321 Ca 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3mkk h ALA 321 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3mkk h ALA 321 CO -0.21 -0.02 -0.23 0.93 0.00 0.00 0.00 179.25 179.73 3mkk h GLU 322 N 0.48 -0.37 -0.73 0.00 5.08 -1.04 -0.93 114.58 117.07 3mkk h GLU 322 Ca 0.13 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3mkk h GLU 322 Cb 0.03 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3mkk h GLU 322 CO -0.02 -0.25 0.42 0.00 -1.00 0.00 0.00 179.01 178.16 3mkk h ALA 323 N 0.44 0.99 -0.65 3.43 0.00 -0.36 -0.90 119.26 122.22 3mkk h ALA 323 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3mkk h ALA 323 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3mkk h ALA 323 CO -0.17 0.10 0.07 0.87 0.00 0.00 0.00 179.25 180.13 3mkk h LYS 324 N 0.76 1.10 -0.33 0.00 1.57 -0.64 -0.83 116.57 118.19 3mkk h LYS 324 Ca 0.33 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mkk h LYS 324 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3mkk h LYS 324 CO -0.19 1.02 0.21 1.49 -0.57 0.00 0.00 179.45 181.41 3mkk h GLU 325 N 1.01 0.44 -0.78 3.15 4.81 -0.58 -1.04 114.58 121.58 3mkk h GLU 325 Ca 0.19 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3mkk h GLU 325 Cb 0.48 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3mkk h GLU 325 CO 0.02 0.32 0.35 0.35 -0.73 0.00 0.00 179.01 179.32 3mkk h PHE 326 N 0.43 1.14 -0.92 0.92 3.57 -1.00 -2.27 116.94 118.82 3mkk h PHE 326 Ca 0.12 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3mkk h PHE 326 Cb -0.02 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.33 3mkk h PHE 326 CO -0.05 0.85 0.60 0.00 -2.23 0.00 0.00 178.31 177.48 3mkk h ALA 327 N 1.18 1.33 -0.48 2.41 0.00 -0.82 -0.78 119.26 122.10 3mkk h ALA 327 Ca 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3mkk h ALA 327 Cb 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mkk h ALA 327 CO -0.03 0.61 0.23 0.78 0.00 0.00 0.00 179.25 180.84 3mkk h GLY 328 N 1.25 0.74 0.98 0.00 0.00 -0.64 0.27 103.07 105.67 3mkk h GLY 328 Ca 0.34 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3mkk h GLY 328 CO -0.07 0.35 -0.24 0.83 0.00 0.00 0.00 176.54 177.41 3mkk h GLU 329 N 0.63 -0.64 -0.62 4.80 5.08 -1.09 -2.05 114.58 120.68 3mkk h GLU 329 Ca 0.16 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.69 3mkk h GLU 329 Cb 0.12 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3mkk h GLU 329 CO -0.02 -0.41 0.10 0.35 -1.00 0.00 0.00 179.01 178.02 3mkk h PHE 330 N -0.69 0.14 -0.99 4.33 3.57 -1.09 0.60 116.94 122.81 3mkk h PHE 330 Ca -0.07 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3mkk h PHE 330 Cb 0.52 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 3mkk h PHE 330 CO -0.04 -0.08 0.65 0.00 -2.23 0.00 0.00 178.31 176.61 3mkk h ALA 331 N 1.52 1.32 0.00 2.41 0.00 -0.81 -2.62 119.26 121.09 3mkk h ALA 331 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3mkk h ALA 331 Cb 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mkk h ALA 331 CO -0.45 0.52 -0.43 1.63 0.00 0.00 0.00 179.25 180.52 3mkk n LYS 332 N -4.46 0.25 -1.72 0.00 5.02 -0.73 -4.88 118.16 111.64 3mkk n LYS 332 Ca 0.14 0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 56.11 3mkk n LYS 332 Cb 0.11 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 3mkk n LYS 332 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3mkk s ASP 333 N -4.18 6.03 0.00 4.39 3.68 0.12 -4.84 116.67 121.87 3mkk s ASP 333 Ca 0.08 2.18 0.08 0.00 2.13 0.00 0.00 52.55 57.02 3mkk s ASP 333 Cb 0.14 -2.52 0.20 0.00 -1.45 0.00 0.00 42.92 39.28 3mkk s ASP 333 CO 0.68 -1.46 1.09 0.35 0.13 0.00 0.00 175.17 175.97 3mkk n THR 334 N 6.59 0.75 -0.00 1.71 -2.24 -1.26 -4.63 114.28 115.19 3mkk n THR 334 Ca 0.24 -0.87 0.01 0.00 -2.27 0.00 0.00 64.05 61.15 3mkk n THR 334 Cb 0.43 0.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.34 2.14 -2.61 -0.78 -0.58 -1.26 -5.00 120.64 112.89 3mkk n GLU 335 Ca 0.08 -1.34 -0.20 0.00 -0.42 0.00 0.00 57.16 55.28 3mkk n GLU 335 Cb 0.34 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 3mkk n GLU 335 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mkk n GLY 336 N -0.29 -0.50 0.13 0.62 0.00 -1.26 -4.89 105.19 98.99 3mkk n GLY 336 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.38 0.00 -4.68 1.61 1.57 -1.94 -3.42 116.57 109.32 3mkk h LYS 337 Ca -0.46 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.63 3mkk h LYS 337 Cb 1.33 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.31 3mkk h LYS 337 CO 0.53 0.28 -0.65 0.42 -0.57 0.00 0.00 179.45 179.46 3mkk s ILE 338 N -3.05 3.09 0.31 1.86 1.01 -1.26 -5.10 121.20 118.07 3mkk s ILE 338 Ca 0.01 -1.59 -0.19 0.00 0.00 0.00 0.00 60.65 58.88 3mkk s ILE 338 Cb 0.08 -2.89 -0.09 0.00 0.01 0.00 0.00 42.46 39.57 3mkk s ILE 338 CO 0.77 -0.29 0.81 -1.00 0.00 0.00 0.00 174.94 175.23 3mkk s HIS 339 N 1.22 3.50 0.52 3.97 3.76 -1.26 -4.96 115.29 122.03 3mkk s HIS 339 Ca -0.01 1.44 0.27 0.00 -0.15 0.00 0.00 55.06 56.61 3mkk s HIS 339 Cb -0.20 -2.69 1.40 0.00 1.11 0.00 0.00 32.58 32.20 3mkk s HIS 339 CO -0.02 0.15 1.93 -1.35 -0.85 0.00 0.00 174.74 174.60 3mkk h PRO 340 N 2.68 0.05 -0.11 8.40 0.11 -1.99 -0.65 132.00 140.49 3mkk h PRO 340 Ca -0.48 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3mkk h PRO 340 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3mkk h PRO 340 CO 0.64 0.03 -0.24 0.11 -0.21 0.00 0.00 178.00 178.33 3mkk h TRP 341 N 0.05 0.20 -0.15 0.65 0.09 -1.98 0.61 115.95 115.42 3mkk h TRP 341 Ca 0.35 -0.03 -0.14 0.00 0.09 0.00 0.00 58.89 59.16 3mkk h TRP 341 Cb 1.34 -0.05 -0.01 0.00 0.08 0.00 0.00 29.16 30.52 3mkk h TRP 341 CO -0.00 0.42 -0.52 0.00 0.09 0.00 0.00 178.44 178.43 3mkk h ALA 342 N 1.58 0.83 -0.28 0.11 0.00 -1.50 0.93 119.26 120.92 3mkk h ALA 342 Ca 0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3mkk h ALA 342 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3mkk h ALA 342 CO 0.04 0.68 -0.03 1.98 0.00 0.00 0.00 179.25 181.91 3mkk h MET 343 N 0.32 0.51 -0.34 0.00 1.85 -1.18 -2.20 114.93 113.89 3mkk h MET 343 Ca 0.01 -0.18 0.01 0.00 -0.61 0.00 0.00 59.70 58.93 3mkk h MET 343 Cb 1.03 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.00 3mkk h MET 343 CO 0.09 0.70 0.20 0.37 -0.40 0.00 0.00 176.91 177.86 3mkk h GLN 344 N 0.28 0.39 -0.71 0.39 4.15 -0.70 -2.37 115.11 116.55 3mkk h GLN 344 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3mkk h GLN 344 Cb 0.49 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 3mkk h GLN 344 CO 0.02 0.26 0.46 0.00 -1.93 0.00 0.00 178.83 177.64 3mkk h ALA 345 N 1.15 0.90 -0.71 3.38 0.00 -0.75 -2.48 119.26 120.75 3mkk h ALA 345 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3mkk h ALA 345 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3mkk h ALA 345 CO -0.06 0.34 0.33 -0.22 0.00 0.00 0.00 179.25 179.63 3mkk h LYS 346 N 0.96 1.04 -0.32 0.00 1.63 -1.13 0.96 116.57 119.71 3mkk h LYS 346 Ca 0.26 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3mkk h LYS 346 Cb -0.09 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 3mkk h LYS 346 CO -0.05 0.82 0.10 0.52 -3.45 0.00 0.00 179.45 177.39 3mkk h MET 347 N 1.00 0.45 0.11 1.90 2.86 -1.20 -2.73 114.93 117.32 3mkk h MET 347 Ca 0.24 -0.06 -0.25 0.00 -2.06 0.00 0.00 59.70 57.57 3mkk h MET 347 Cb 0.14 -0.08 0.03 0.00 0.06 0.00 0.00 31.60 31.74 3mkk h MET 347 CO -0.03 0.40 -1.05 0.87 1.06 0.00 0.00 176.91 178.16 3mkk h LYS 348 N 0.45 0.52 -0.06 1.72 1.57 -1.00 -3.33 116.57 116.44 3mkk h LYS 348 Ca 0.11 -0.70 0.02 0.00 -1.87 0.00 0.00 60.65 58.20 3mkk h LYS 348 Cb 0.14 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3mkk h LYS 348 CO -0.01 1.31 0.05 0.22 -0.57 0.00 0.00 179.45 180.45 3mkk h ASP 349 N 0.06 0.00 0.69 0.86 -0.00 -0.58 -2.27 116.42 115.18 3mkk h ASP 349 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.87 3mkk h ASP 349 Cb 1.76 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.09 3mkk h ASP 349 CO 0.20 0.00 0.00 2.30 -0.00 0.00 0.00 179.24 181.74 3mkk n ILE 350 N -4.13 0.35 -3.28 2.25 -5.35 -1.05 -4.28 119.36 103.87 3mkk n ILE 350 Ca -0.02 0.09 -0.39 0.00 -0.27 0.00 0.00 62.75 62.16 3mkk n ILE 350 Cb 0.15 -0.69 -0.07 0.00 -1.74 0.00 0.00 39.64 37.29 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 -2.87 5.13 -1.50 7.28 1.01 -0.86 -4.05 120.40 124.55 3mkk s VAL 351 Ca 0.15 0.92 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 3mkk s VAL 351 Cb 0.15 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.78 3mkk s VAL 351 CO 0.41 0.20 0.90 0.59 0.00 0.00 0.00 175.10 177.20 3mkk n ASN 352 N 4.61 -3.86 -4.73 3.32 3.02 0.11 -4.88 115.26 112.85 3mkk n ASN 352 Ca -0.06 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 3mkk n ASN 352 Cb 0.51 -3.82 -0.03 0.00 -0.61 0.00 0.00 39.78 35.82 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 -3.55 6.93 0.58 6.41 0.15 -1.26 -4.91 113.70 118.05 3mkk s SER 353 Ca 0.52 2.29 0.27 0.00 0.70 0.00 0.00 55.95 59.73 3mkk s SER 353 Cb -0.26 -2.60 1.65 0.00 -1.71 0.00 0.00 66.02 63.11 3mkk s SER 353 CO 0.83 -0.54 2.15 -0.65 1.20 0.00 0.00 173.24 176.24 3mkk h PRO 354 N 6.06 0.00 -0.45 5.44 0.11 -1.90 -2.13 132.00 139.14 3mkk h PRO 354 Ca -0.43 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 3mkk h PRO 354 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3mkk h PRO 354 CO 0.80 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.37 3mkk h GLU 355 N 0.00 0.86 -0.27 1.05 4.39 -1.94 -2.86 114.58 115.82 3mkk h GLU 355 Ca 0.06 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 3mkk h GLU 355 Cb 0.31 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3mkk h GLU 355 CO -0.00 0.96 -0.18 -0.44 -1.16 0.00 0.00 179.01 178.19 3mkk h ASP 356 N 0.76 0.47 0.67 1.42 3.32 -1.78 -2.67 116.42 118.61 3mkk h ASP 356 Ca 0.12 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3mkk h ASP 356 Cb 0.68 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3mkk h ASP 356 CO 0.05 0.67 0.00 -1.22 -1.72 0.00 0.00 179.24 177.02 3mkk n TYR 357 N -4.17 0.67 1.19 4.55 4.01 -1.09 -1.18 117.16 121.14 3mkk n TYR 357 Ca 0.00 0.26 0.13 0.00 -0.16 0.00 0.00 57.90 58.13 3mkk n TYR 357 Cb 0.36 -0.93 0.25 0.00 -0.31 0.00 0.00 39.34 38.71 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 -2.11 1.50 0.00 -0.72 5.02 -1.02 -1.42 118.16 119.43 3mkk n LYS 358 Ca 0.02 -1.09 0.12 0.00 -2.02 0.00 0.00 58.31 55.34 3mkk n LYS 358 Cb 0.21 -1.48 0.16 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.21 0.03 -4.31 1.97 1.74 -0.32 -4.83 116.66 111.14 3mkk n ARG 359 Ca 0.14 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.05 3mkk n ARG 359 Cb 0.44 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 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 -3.02 1.50 0.09 -1.55 -0.12 -1.25 -4.24 117.98 109.39 3mkk s PHE 360 Ca 0.10 -0.92 0.06 0.00 -0.05 0.00 0.00 56.93 56.11 3mkk s PHE 360 Cb 0.17 -0.86 -0.03 0.00 -0.63 0.00 0.00 43.02 41.67 3mkk s PHE 360 CO 0.74 -0.05 -0.15 0.71 -0.05 0.00 0.00 175.22 176.42 3mkk s TYR 361 N -3.44 1.30 -0.11 3.49 2.02 0.21 -0.33 117.35 120.49 3mkk s TYR 361 Ca 0.27 -0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 56.43 3mkk s TYR 361 Cb 0.05 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3mkk s TYR 361 CO 0.08 0.09 0.07 -1.01 -1.57 0.00 0.00 175.55 173.21 3mkk s HIS 362 N -1.53 3.37 -0.53 2.71 3.76 0.13 -3.29 115.29 119.92 3mkk s HIS 362 Ca 0.02 0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 55.11 3mkk s HIS 362 Cb -0.08 -1.90 0.12 0.00 1.11 0.00 0.00 32.58 31.83 3mkk s HIS 362 CO 0.03 0.55 0.47 1.21 -0.85 0.00 0.00 174.74 176.15 3mkk s ASN 363 N -0.78 6.13 -0.60 1.40 3.84 -1.26 -0.20 114.94 123.47 3mkk s ASN 363 Ca 0.13 -1.77 -0.10 0.00 0.21 0.00 0.00 52.86 51.33 3mkk s ASN 363 Cb -0.12 -2.18 0.15 0.00 -0.55 0.00 0.00 41.25 38.55 3mkk s ASN 363 CO 0.03 -0.82 0.48 -0.69 -2.79 0.00 0.00 177.10 173.31 3mkk s VAL 364 N 1.57 4.55 -1.24 -5.21 1.01 -0.11 -4.17 120.40 116.79 3mkk s VAL 364 Ca 0.03 -2.18 -0.07 0.00 0.00 0.00 0.00 61.98 59.76 3mkk s VAL 364 Cb -0.29 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3mkk s VAL 364 CO 0.03 -0.87 0.71 0.59 0.00 0.00 0.00 175.10 175.55 3mkk n ASN 365 N 4.41 -2.85 0.00 3.32 3.02 -1.26 -2.46 115.26 119.43 3mkk n ASN 365 Ca 0.00 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3mkk n ASN 365 Cb 0.42 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 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 -1.63 3.00 3.67 7.41 0.00 -1.26 -5.01 105.19 111.36 3mkk n GLY 366 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3mkk n GLY 366 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkk s LYS 367 N -0.16 4.23 -0.04 1.61 1.02 -1.03 -5.05 119.74 120.32 3mkk s LYS 367 Ca 0.00 0.58 -0.21 0.00 0.02 0.00 0.00 55.97 56.35 3mkk s LYS 367 Cb 0.00 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 3mkk s LYS 367 CO 0.00 -0.17 0.62 0.15 -0.92 0.00 0.00 175.35 175.03 3mkk s LYS 368 N 1.69 4.38 -0.08 1.68 1.02 -1.26 -0.94 119.74 126.24 3mkk s LYS 368 Ca 0.28 0.76 0.02 0.00 0.02 0.00 0.00 55.97 57.05 3mkk s LYS 368 Cb -0.16 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 3mkk s LYS 368 CO 0.11 0.22 -0.13 -1.50 -0.92 0.00 0.00 175.35 173.12 3mkk s ILE 369 N 0.32 1.23 0.29 2.17 2.07 0.73 -4.94 121.20 123.05 3mkk s ILE 369 Ca 0.33 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.76 3mkk s ILE 369 Cb -0.18 -1.12 -0.11 0.00 0.13 0.00 0.00 42.46 41.19 3mkk s ILE 369 CO 0.17 0.38 1.47 -0.60 -1.91 0.00 0.00 174.94 174.44 3mkk s ARG 370 N 0.76 4.22 0.31 3.50 3.52 -1.26 0.18 118.95 130.18 3mkk s ARG 370 Ca -0.12 2.40 -0.00 0.00 -0.13 0.00 0.00 55.73 57.87 3mkk s ARG 370 Cb -0.16 -3.06 0.51 0.00 -1.56 0.00 0.00 34.95 30.68 3mkk s ARG 370 CO 0.03 -0.46 1.95 1.25 -0.81 0.00 0.00 175.30 177.25 3mkk h HIS 371 N 4.49 1.01 -0.06 5.12 -0.00 -0.77 -1.80 115.15 123.15 3mkk h HIS 371 Ca -0.47 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.90 3mkk h HIS 371 Cb 1.22 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 3mkk h HIS 371 CO 0.58 0.59 -0.06 0.38 -0.00 0.00 0.00 177.93 179.42 3mkk h ASP 372 N 1.05 0.07 0.75 3.26 2.03 -1.51 0.12 116.42 122.19 3mkk h ASP 372 Ca 0.34 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.62 3mkk h ASP 372 Cb 0.04 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 3mkk h ASP 372 CO -0.10 0.15 -0.05 0.11 -1.03 0.00 0.00 179.24 178.32 3mkk h LYS 373 N 0.08 0.00 0.00 4.15 1.57 -1.63 -3.03 116.57 117.71 3mkk h LYS 373 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3mkk h LYS 373 Cb 0.16 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.28 3mkk h LYS 373 CO 0.01 0.05 -0.72 1.33 -0.57 0.00 0.00 179.45 179.55 3mkk n VAL 374 N -3.20 0.91 -0.26 0.50 0.24 0.05 -4.02 118.33 112.55 3mkk n VAL 374 Ca -0.00 -1.77 0.04 0.00 -2.04 0.00 0.00 64.34 60.57 3mkk n VAL 374 Cb 0.27 0.43 0.17 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.82 0.59 0.00 6.34 6.17 -0.69 -1.12 115.15 127.26 3mkk h HIS 375 Ca -0.11 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.00 3mkk h HIS 375 Cb 1.47 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 31.25 3mkk h HIS 375 CO 0.36 0.15 0.00 0.09 0.71 0.00 0.00 177.93 179.24 3mkk n ASN 376 N -4.93 0.00 -0.30 3.26 3.02 -0.49 -2.78 115.26 113.05 3mkk n ASN 376 Ca 0.13 -0.73 0.11 0.00 -0.03 0.00 0.00 54.58 54.06 3mkk n ASN 376 Cb 0.35 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.90 1.60 0.12 3.41 4.77 -0.42 -4.39 117.00 121.19 3mkk n LEU 377 Ca 0.11 -0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 3mkk n LEU 377 Cb 0.05 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3mkk n LEU 377 CO 0.09 0.32 0.63 0.15 -1.33 0.00 0.00 177.39 177.25 3mkk h PHE 378 N 1.46 -0.27 -0.32 -1.77 3.57 -1.67 -1.06 116.94 116.88 3mkk h PHE 378 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3mkk h PHE 378 Cb 0.65 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3mkk h PHE 378 CO 0.00 0.03 0.10 0.78 -2.23 0.00 0.00 178.31 176.99 3mkk h GLY 379 N -0.57 0.53 -0.66 2.40 0.00 -1.70 -0.41 103.07 102.66 3mkk h GLY 379 Ca -0.03 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.07 3mkk h GLY 379 CO 0.05 0.29 -0.54 -1.82 0.00 0.00 0.00 176.54 174.52 3mkk h TYR 380 N 0.36 -1.66 0.00 5.60 3.20 -1.72 -0.81 116.97 121.95 3mkk h TYR 380 Ca 0.10 0.10 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3mkk h TYR 380 Cb 0.24 0.82 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3mkk h TYR 380 CO 0.01 -0.43 -0.34 -0.91 -1.64 0.00 0.00 178.16 174.84 3mkk h ASN 381 N -0.20 0.00 -0.46 -2.11 2.35 -0.77 0.46 115.58 114.84 3mkk h ASN 381 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3mkk h ASN 381 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3mkk h ASN 381 CO -0.76 0.34 0.10 -0.03 -1.65 0.00 0.00 177.43 175.44 3mkk h MET 382 N 0.00 0.75 -0.27 0.81 4.05 -0.44 -1.02 114.93 118.81 3mkk h MET 382 Ca -0.00 -0.18 -0.17 0.00 -0.28 0.00 0.00 59.70 59.07 3mkk h MET 382 Cb 0.85 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 3mkk h MET 382 CO 0.04 0.74 -0.50 1.15 0.23 0.00 0.00 176.91 178.58 3mkk h THR 383 N 0.62 1.29 -0.56 -0.77 2.02 -0.50 -2.70 112.91 112.33 3mkk h THR 383 Ca 0.14 -1.70 0.01 0.00 0.77 0.00 0.00 66.41 65.64 3mkk h THR 383 Cb 0.34 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3mkk h THR 383 CO 0.00 0.55 0.37 -0.09 0.37 0.00 0.00 175.52 176.72 3mkk h ARG 384 N 0.58 0.70 -0.69 6.66 2.43 -0.86 -0.24 114.38 122.95 3mkk h ARG 384 Ca 0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3mkk h ARG 384 Cb 1.07 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 3mkk h ARG 384 CO 0.10 0.46 0.34 0.00 -1.51 0.00 0.00 179.97 179.36 3mkk h ALA 385 N 1.66 0.88 -0.06 2.80 0.00 -0.86 -0.84 119.26 122.85 3mkk h ALA 385 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mkk h ALA 385 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3mkk h ALA 385 CO -0.05 0.44 -0.02 0.00 0.00 0.00 0.00 179.25 179.62 3mkk h ALA 386 N 1.16 0.08 -0.75 0.00 0.00 -1.21 -2.43 119.26 116.11 3mkk h ALA 386 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3mkk h ALA 386 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3mkk h ALA 386 CO -0.03 -0.20 0.40 0.78 0.00 0.00 0.00 179.25 180.20 3mkk h GLY 387 N -0.25 1.13 1.53 0.00 0.00 -0.86 -1.20 103.07 103.42 3mkk h GLY 387 Ca 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 3mkk h GLY 387 CO 0.01 0.50 -0.23 0.83 0.00 0.00 0.00 176.54 177.65 3mkk h GLU 388 N 1.04 0.55 -0.37 4.80 5.08 -1.22 -2.58 114.58 121.89 3mkk h GLU 388 Ca 0.26 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3mkk h GLU 388 Cb 0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3mkk h GLU 388 CO -0.04 0.74 0.14 0.00 -1.00 0.00 0.00 179.01 178.85 3mkk h ALA 389 N 1.27 0.48 -0.67 3.43 0.00 -0.94 -2.79 119.26 120.04 3mkk h ALA 389 Ca 0.07 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3mkk h ALA 389 Cb 0.66 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3mkk h ALA 389 CO 0.05 0.09 0.44 0.74 0.00 0.00 0.00 179.25 180.57 3mkk h PHE 390 N 0.44 0.55 -0.41 0.00 0.04 -0.85 0.19 116.94 116.91 3mkk h PHE 390 Ca 0.12 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 3mkk h PHE 390 Cb 0.21 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3mkk h PHE 390 CO 0.00 0.26 -0.24 0.93 -0.60 0.00 0.00 178.31 178.66 3mkk h GLU 391 N 0.52 0.84 -0.03 1.51 5.08 -1.23 -0.10 114.58 121.16 3mkk h GLU 391 Ca 0.31 -0.36 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 3mkk h GLU 391 Cb 0.52 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3mkk h GLU 391 CO -0.10 0.99 -0.85 0.00 -1.00 0.00 0.00 179.01 178.05 3mkk h ARG 392 N 0.72 0.41 0.01 2.33 3.08 -0.96 -2.88 114.38 117.10 3mkk h ARG 392 Ca 0.09 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 3mkk h ARG 392 Cb 0.78 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.94 3mkk h ARG 392 CO 0.06 1.05 -0.27 0.82 -1.07 0.00 0.00 179.97 180.57 3mkk h ILE 393 N 0.25 1.57 -1.73 2.04 2.04 -0.55 -3.43 117.51 117.71 3mkk h ILE 393 Ca -0.06 -2.04 -0.32 0.00 1.00 0.00 0.00 64.86 63.44 3mkk h ILE 393 Cb 1.47 2.88 -0.28 0.00 -0.74 0.00 0.00 36.82 40.14 3mkk h ILE 393 CO 0.15 0.56 -0.66 -0.62 0.00 0.00 0.00 178.15 177.58 3mkk s ASP 394 N -6.36 0.46 0.52 1.72 -1.08 -0.06 -5.03 116.67 106.84 3mkk s ASP 394 Ca -0.16 -1.65 0.35 0.00 -0.52 0.00 0.00 52.55 50.57 3mkk s ASP 394 Cb 0.00 0.83 1.71 0.00 -1.46 0.00 0.00 42.92 44.01 3mkk s ASP 394 CO 0.74 -0.21 2.05 1.55 0.52 0.00 0.00 175.17 179.83 3mkk h PRO 395 N 6.64 0.00 0.00 4.34 0.13 -1.63 -2.44 132.00 139.05 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 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3mkk h PRO 395 CO 0.18 0.00 -0.28 0.39 -0.23 0.00 0.00 178.00 178.05 3mkk n GLU 396 N -2.84 0.20 -4.31 0.86 1.02 -1.26 -4.89 120.64 109.41 3mkk n GLU 396 Ca -0.01 0.11 -0.34 0.00 -0.02 0.00 0.00 57.16 56.90 3mkk n GLU 396 Cb 0.16 -1.68 -0.11 0.00 -0.02 0.00 0.00 31.44 29.79 3mkk n GLU 396 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3mkk s LYS 397 N -3.10 3.53 0.07 3.49 2.20 -0.92 -2.85 119.74 122.16 3mkk s LYS 397 Ca 0.10 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.96 3mkk s LYS 397 Cb 0.14 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.48 3mkk s LYS 397 CO 0.64 0.39 1.03 1.03 -0.36 0.00 0.00 175.35 178.09 3mkk s ARG 398 N -0.02 4.58 -0.01 4.03 0.52 -0.67 -4.95 118.95 122.43 3mkk s ARG 398 Ca 0.03 1.54 0.02 0.00 -0.52 0.00 0.00 55.73 56.80 3mkk s ARG 398 Cb -0.13 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 3mkk s ARG 398 CO 0.02 0.01 -0.06 -0.06 0.02 0.00 0.00 175.30 175.24 3mkk s PHE 399 N 0.51 2.93 0.08 -0.53 0.08 -1.26 -4.60 117.98 115.18 3mkk s PHE 399 Ca 0.51 -0.01 -0.31 0.00 0.12 0.00 0.00 56.93 57.25 3mkk s PHE 399 Cb -0.25 -1.64 -0.07 0.00 -0.57 0.00 0.00 43.02 40.50 3mkk s PHE 399 CO 0.30 0.38 1.36 -1.17 -0.10 0.00 0.00 175.22 175.99 3mkk s LEU 400 N -1.33 4.36 -0.16 -0.37 2.96 -0.58 -4.49 118.68 119.07 3mkk s LEU 400 Ca 0.17 2.22 -0.08 0.00 -0.22 0.00 0.00 54.13 56.22 3mkk s LEU 400 Cb -0.11 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.06 3mkk s LEU 400 CO 0.07 -0.64 0.39 -0.32 -1.32 0.00 0.00 176.35 174.53 3mkk s MET 401 N 1.41 0.35 0.15 1.98 -2.45 -1.25 -0.80 119.30 118.70 3mkk s MET 401 Ca 0.63 0.79 -0.16 0.00 -1.25 0.00 0.00 55.69 55.70 3mkk s MET 401 Cb -0.34 0.01 0.03 0.00 1.25 0.00 0.00 34.83 35.78 3mkk s MET 401 CO 0.29 -0.18 0.45 -0.59 1.05 0.00 0.00 175.02 176.04 3mkk s PHE 402 N 1.58 -0.16 0.27 4.11 -0.71 -1.19 -0.17 117.98 121.72 3mkk s PHE 402 Ca -0.08 -0.17 0.00 0.00 -1.04 0.00 0.00 56.93 55.64 3mkk s PHE 402 Cb -0.09 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 3mkk s PHE 402 CO -0.12 -0.78 0.28 -1.12 -1.34 0.00 0.00 175.22 172.13 3mkk s SER 403 N -2.83 0.74 -0.10 1.98 0.01 -0.29 -1.53 113.70 111.67 3mkk s SER 403 Ca 0.06 -1.47 -0.06 0.00 1.31 0.00 0.00 55.95 55.79 3mkk s SER 403 Cb 0.01 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.73 3mkk s SER 403 CO -0.08 -1.02 -0.12 -0.09 0.41 0.00 0.00 173.24 172.34 3mkk h ARG 404 N 2.34 0.00 -6.62 12.44 2.43 -1.76 -3.04 114.38 120.18 3mkk h ARG 404 Ca -0.30 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.36 3mkk h ARG 404 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3mkk h ARG 404 CO 0.43 0.00 -0.02 -1.12 -1.51 0.00 0.00 179.97 177.75 3mkk s SER 405 N -5.11 6.57 0.17 -3.80 0.01 -1.26 -4.67 113.70 105.60 3mkk s SER 405 Ca -0.10 0.98 -0.24 0.00 1.31 0.00 0.00 55.95 57.90 3mkk s SER 405 Cb 0.01 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 64.05 3mkk s SER 405 CO 0.14 -0.22 0.85 -0.94 0.41 0.00 0.00 173.24 173.48 3mkk s SER 406 N -2.80 -0.26 0.04 2.44 1.04 -1.21 -4.15 113.70 108.79 3mkk s SER 406 Ca 0.49 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 3mkk s SER 406 Cb -0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3mkk s SER 406 CO 0.26 -1.00 0.18 -0.47 0.98 0.00 0.00 173.24 173.19 3mkk s TYR 407 N -3.49 0.07 0.22 5.02 5.04 -1.26 -1.83 117.35 121.11 3mkk s TYR 407 Ca 0.10 -0.28 -0.31 0.00 -2.44 0.00 0.00 57.07 54.13 3mkk s TYR 407 Cb -0.03 -0.04 -0.11 0.00 0.35 0.00 0.00 41.96 42.13 3mkk s TYR 407 CO 0.01 -0.41 1.65 0.42 -1.34 0.00 0.00 175.55 175.87 3mkk s ILE 408 N -2.47 2.21 0.00 3.14 1.01 -1.24 -1.21 121.20 122.63 3mkk s ILE 408 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3mkk s ILE 408 Cb -0.02 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3mkk s ILE 408 CO -0.03 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.53 3mkk n GLY 409 N 3.49 2.69 0.29 6.18 0.00 -1.26 -4.38 105.19 112.20 3mkk n GLY 409 Ca 0.13 -0.91 0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 1.85 -1.50 -2.95 114.93 113.95 3mkk h MET 410 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3mkk h MET 410 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3mkk h MET 410 CO 0.00 0.04 0.00 1.12 -0.40 0.00 0.00 176.91 177.67 3mkk h HIS 411 N 0.00 0.00 0.00 1.39 -0.00 -1.78 -0.77 115.15 113.98 3mkk h HIS 411 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 3mkk h HIS 411 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 3mkk h HIS 411 CO 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 177.93 177.75 3mkk h ARG 412 N 0.00 0.00 0.00 5.12 3.08 -1.71 0.28 114.38 121.15 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 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3mkk h ARG 412 CO 0.00 0.18 -0.83 0.66 -1.07 0.00 0.00 179.97 178.91 3mkk n TYR 413 N -3.30 0.00 -3.55 3.04 4.01 -0.32 -3.71 117.16 113.34 3mkk n TYR 413 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.68 3mkk n TYR 413 Cb 0.43 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 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 -2.20 -0.39 0.20 2.72 0.00 -1.09 -4.58 107.32 101.98 3mkk s GLY 414 Ca -0.00 1.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.85 3mkk s GLY 414 CO 0.26 0.38 0.28 0.61 0.00 0.00 0.00 173.10 174.62 3mkk n GLY 415 N -0.21 -0.96 3.01 0.20 0.00 0.77 -4.48 105.19 103.52 3mkk n GLY 415 Ca -0.05 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.48 0.14 0.29 -0.61 -4.36 -1.03 -1.14 121.20 113.01 3mkk s ILE 416 Ca 0.16 -1.13 0.08 0.00 -0.26 0.00 0.00 60.65 59.50 3mkk s ILE 416 Cb -0.00 -0.59 -0.04 0.00 1.25 0.00 0.00 42.46 43.08 3mkk s ILE 416 CO 0.11 -0.62 0.14 -1.66 0.24 0.00 0.00 174.94 173.15 3mkk s TRP 417 N -2.09 2.86 -1.41 1.37 -2.14 -1.15 -3.67 118.94 112.71 3mkk s TRP 417 Ca -0.10 -0.23 0.04 0.00 2.66 0.00 0.00 56.10 58.46 3mkk s TRP 417 Cb -0.05 -1.45 0.15 0.00 -3.10 0.00 0.00 33.47 29.02 3mkk s TRP 417 CO -0.03 0.46 0.93 -1.33 -2.66 0.00 0.00 176.95 174.32 3mkk n MET 418 N -1.11 1.59 0.00 3.25 2.81 -0.39 -4.72 117.12 118.55 3mkk n MET 418 Ca -0.05 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 3mkk n MET 418 Cb 0.59 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 0.43 -0.59 3.48 3.03 0.00 -1.26 -4.56 105.19 105.72 3mkk n GLY 419 Ca 0.05 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 6.67 0.66 1.61 -0.00 -1.26 -4.57 116.67 115.78 3mkk s ASP 420 Ca 0.00 -2.08 -0.01 0.00 -0.00 0.00 0.00 52.55 50.46 3mkk s ASP 420 Cb 0.00 -2.44 0.03 0.00 -0.00 0.00 0.00 42.92 40.51 3mkk s ASP 420 CO 0.00 -1.11 0.20 -0.46 -0.00 0.00 0.00 175.17 173.80 3mkk n ASN 421 N 6.93 0.15 -4.23 0.27 6.94 -1.26 -4.47 115.26 119.60 3mkk n ASN 421 Ca 0.28 -1.16 -0.15 0.00 -0.02 0.00 0.00 54.58 53.54 3mkk n ASN 421 Cb 0.48 -0.14 -0.10 0.00 -2.36 0.00 0.00 39.78 37.66 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 -3.11 0.99 -0.93 -3.83 -0.14 -1.26 -1.17 119.74 110.28 3mkk s LYS 422 Ca 0.12 -1.33 -0.14 0.00 -1.36 0.00 0.00 55.97 53.25 3mkk s LYS 422 Cb -0.01 -0.64 -0.09 0.00 -1.68 0.00 0.00 37.83 35.41 3mkk s LYS 422 CO 0.08 0.09 2.07 0.43 -0.76 0.00 0.00 175.35 177.27 3mkk n SER 423 N 0.13 3.86 -4.16 2.83 7.64 0.16 -4.31 113.62 119.77 3mkk n SER 423 Ca -0.13 -2.55 -0.25 0.00 1.01 0.00 0.00 58.87 56.95 3mkk n SER 423 Cb 0.59 -1.18 -0.15 0.00 -1.01 0.00 0.00 64.21 62.46 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 4.09 1.60 0.46 1.43 0.51 -1.26 -4.76 118.94 121.01 3mkk s TRP 424 Ca 0.50 -0.33 0.13 0.00 -2.12 0.00 0.00 56.10 54.29 3mkk s TRP 424 Cb 0.13 -1.04 1.08 0.00 -0.81 0.00 0.00 33.47 32.83 3mkk s TRP 424 CO 0.03 -0.05 2.05 -1.49 -0.51 0.00 0.00 176.95 176.99 3mkk h TRP 425 N 5.78 0.30 0.00 -1.98 4.06 -1.89 -1.89 115.95 120.33 3mkk h TRP 425 Ca -0.36 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.57 3mkk h TRP 425 Cb 1.15 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3mkk h TRP 425 CO 0.40 0.17 -0.11 0.66 -3.56 0.00 0.00 178.44 176.00 3mkk h SER 426 N 0.31 0.00 1.19 -3.49 4.64 -1.95 -2.49 113.55 111.75 3mkk h SER 426 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3mkk h SER 426 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3mkk h SER 426 CO -0.03 0.11 0.00 1.41 -0.87 0.00 0.00 176.83 177.45 3mkk n HIS 427 N -3.54 0.89 -0.02 4.77 8.25 -0.71 -1.69 115.22 123.16 3mkk n HIS 427 Ca -0.02 0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3mkk n HIS 427 Cb 0.25 -0.97 -0.07 0.00 1.12 0.00 0.00 29.99 30.32 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 1.24 -0.59 1.59 2.04 -1.54 -1.79 117.51 118.47 3mkk h ILE 428 Ca 0.00 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3mkk h ILE 428 Cb 0.59 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3mkk h ILE 428 CO 0.00 0.21 0.16 0.25 0.00 0.00 0.00 178.15 178.77 3mkk h LEU 429 N -0.12 0.87 -0.19 1.44 5.85 -1.59 -0.88 115.31 120.69 3mkk h LEU 429 Ca 0.02 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3mkk h LEU 429 Cb 0.33 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3mkk h LEU 429 CO 0.00 0.87 0.04 0.25 -0.34 0.00 0.00 178.44 179.26 3mkk h LEU 430 N 0.84 0.01 -0.70 2.25 5.85 -1.36 0.01 115.31 122.21 3mkk h LEU 430 Ca 0.19 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.07 3mkk h LEU 430 Cb 0.33 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 3mkk h LEU 430 CO -0.00 0.03 0.23 -1.13 -0.34 0.00 0.00 178.44 177.23 3mkk h ASN 431 N 0.11 0.16 -0.18 1.25 -0.00 -1.11 -2.05 115.58 113.77 3mkk h ASN 431 Ca 0.09 0.11 -0.02 0.00 -0.00 0.00 0.00 56.30 56.48 3mkk h ASN 431 Cb 0.08 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 3mkk h ASN 431 CO -0.12 0.06 0.03 0.25 -0.00 0.00 0.00 177.43 177.66 3mkk h LEU 432 N 0.37 0.29 -1.07 0.34 5.85 -0.49 -3.23 115.31 117.36 3mkk h LEU 432 Ca 0.38 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3mkk h LEU 432 Cb 0.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3mkk h LEU 432 CO -0.41 0.47 -0.43 0.11 -0.34 0.00 0.00 178.44 177.84 3mkk h LYS 433 N 0.09 0.00 0.00 1.25 1.57 -0.75 -2.63 116.57 116.09 3mkk h LYS 433 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3mkk h LYS 433 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3mkk h LYS 433 CO 0.00 0.43 -0.37 0.52 -0.57 0.00 0.00 179.45 179.47 3mkk h MET 434 N 0.00 0.00 0.05 3.15 2.86 -1.39 -3.36 114.93 116.24 3mkk h MET 434 Ca -0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3mkk h MET 434 Cb 0.83 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 3mkk h MET 434 CO 0.06 0.37 -0.28 -0.07 1.06 0.00 0.00 176.91 178.04 3mkk h LEU 435 N 0.00 -0.82 -0.86 1.22 3.38 -1.50 0.16 115.31 116.89 3mkk h LEU 435 Ca -0.00 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3mkk h LEU 435 Cb 0.73 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3mkk h LEU 435 CO 0.05 -0.36 -0.06 1.55 0.09 0.00 0.00 178.44 179.71 3mkk h PRO 436 N -0.45 0.78 -0.68 1.13 0.13 -1.74 -2.07 132.00 129.09 3mkk h PRO 436 Ca 0.05 -0.24 0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3mkk h PRO 436 Cb 0.52 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 3mkk h PRO 436 CO -0.21 0.83 0.45 0.77 -0.23 0.00 0.00 178.00 179.61 3mkk h SER 437 N 0.72 0.78 -0.70 1.44 0.02 -1.64 -0.71 113.55 113.46 3mkk h SER 437 Ca 0.13 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3mkk h SER 437 Cb 0.52 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 3mkk h SER 437 CO 0.03 0.57 0.46 -0.07 -1.14 0.00 0.00 176.83 176.68 3mkk h LEU 438 N 0.92 0.71 -0.77 5.07 3.38 -0.64 -2.72 115.31 121.26 3mkk h LEU 438 Ca 0.25 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3mkk h LEU 438 Cb -0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3mkk h LEU 438 CO -0.05 0.48 0.05 0.78 0.09 0.00 0.00 178.44 179.79 3mkk h ASN 439 N 0.82 0.95 -0.01 -0.43 2.35 -0.48 -0.52 115.58 118.27 3mkk h ASN 439 Ca 0.29 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3mkk h ASN 439 Cb 0.11 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3mkk h ASN 439 CO -0.08 0.98 0.01 0.24 -1.65 0.00 0.00 177.43 176.92 3mkk h MET 440 N 0.92 0.00 -0.32 0.81 2.86 -0.93 -2.62 114.93 115.64 3mkk h MET 440 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3mkk h MET 440 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3mkk h MET 440 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 3mkk n GLY 442 N 1.14 0.54 3.39 0.00 0.00 -0.99 -4.77 105.19 104.49 3mkk n GLY 442 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.21 3.56 -0.11 1.61 0.08 -0.25 -4.65 117.98 116.01 3mkk s PHE 443 Ca 0.00 -1.85 0.11 0.00 0.12 0.00 0.00 56.93 55.31 3mkk s PHE 443 Cb 0.00 -4.03 -0.24 0.00 -0.57 0.00 0.00 43.02 38.18 3mkk s PHE 443 CO 0.00 -1.20 0.41 -1.33 -0.10 0.00 0.00 175.22 173.00 3mkk n MET 444 N 4.92 0.66 -2.62 0.44 2.81 -1.26 -3.58 117.12 118.49 3mkk n MET 444 Ca 0.20 0.20 -0.41 0.00 -1.81 0.00 0.00 57.70 55.88 3mkk n MET 444 Cb 0.47 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.56 2.55 0.19 2.03 5.04 -1.26 -4.67 117.35 118.66 3mkk s TYR 445 Ca -0.10 -0.68 -0.12 0.00 -2.44 0.00 0.00 57.07 53.73 3mkk s TYR 445 Cb 0.07 -4.60 0.00 0.00 0.35 0.00 0.00 41.96 37.78 3mkk s TYR 445 CO 0.81 -1.90 0.38 -0.08 -1.34 0.00 0.00 175.55 173.41 3mkk s THR 446 N 4.84 0.04 0.00 4.34 -1.32 -1.26 -2.46 115.64 119.82 3mkk s THR 446 Ca 0.40 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 3mkk s THR 446 Cb -0.04 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 3mkk s THR 446 CO -0.02 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 3mkk n GLY 447 N -0.28 -0.16 3.56 6.08 0.00 -1.24 -2.18 105.19 110.97 3mkk n GLY 447 Ca -0.07 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 2.99 -0.32 4.61 0.00 -1.26 -1.26 121.76 124.52 3mkk s ALA 448 Ca 0.00 -2.15 -0.29 0.00 0.00 0.00 0.00 51.96 49.53 3mkk s ALA 448 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3mkk s ALA 448 CO 0.00 0.02 1.67 -0.51 0.00 0.00 0.00 175.76 176.93 3mkk s ASP 449 N -3.63 6.11 0.09 0.00 -0.00 -1.26 -4.48 116.67 113.50 3mkk s ASP 449 Ca 0.33 1.27 -0.30 0.00 -0.00 0.00 0.00 52.55 53.84 3mkk s ASP 449 Cb 0.05 -2.53 -0.06 0.00 -0.00 0.00 0.00 42.92 40.37 3mkk s ASP 449 CO 0.17 -1.54 1.21 -0.76 -0.00 0.00 0.00 175.17 174.25 3mkk s LEU 450 N 6.16 4.39 0.00 1.23 1.43 0.15 -1.69 118.68 130.35 3mkk s LEU 450 Ca 0.74 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 3mkk s LEU 450 Cb -0.21 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3mkk s LEU 450 CO 0.33 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3mkk n GLY 451 N 3.00 2.68 0.01 -3.19 0.00 -1.26 -3.71 105.19 102.73 3mkk n GLY 451 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 1.17 0.27 -0.02 0.00 -0.68 -4.19 105.19 99.74 3mkk n GLY 452 Ca 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.56 -3.23 1.61 3.57 -1.69 -3.39 116.94 113.25 3mkk h PHE 453 Ca 0.00 -0.01 -0.48 0.00 3.53 0.00 0.00 57.97 61.00 3mkk h PHE 453 Cb 0.00 0.19 0.02 0.00 2.79 0.00 0.00 35.95 38.95 3mkk h PHE 453 CO 0.00 -0.24 -0.02 0.20 -2.23 0.00 0.00 178.31 176.02 3mkk s GLY 454 N -2.63 1.44 0.27 2.40 0.00 -0.32 -1.04 107.32 107.43 3mkk s GLY 454 Ca -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3mkk s GLY 454 CO 0.49 -0.56 0.00 1.22 0.00 0.00 0.00 173.10 174.25 3mkk n ASP 455 N -2.02 -6.74 -4.66 1.64 10.43 -1.26 -0.66 116.55 113.28 3mkk n ASP 455 Ca -0.02 0.46 -0.36 0.00 2.57 0.00 0.00 54.79 57.44 3mkk n ASP 455 Cb 0.56 -3.44 -0.09 0.00 1.84 0.00 0.00 41.12 39.98 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 -6.07 6.09 0.87 -2.24 1.01 -1.26 -4.56 116.67 110.51 3mkk s ASP 456 Ca 0.00 0.11 -0.12 0.00 0.71 0.00 0.00 52.55 53.25 3mkk s ASP 456 Cb 0.00 -2.10 0.11 0.00 1.01 0.00 0.00 42.92 41.95 3mkk s ASP 456 CO 0.00 0.07 1.17 0.28 0.21 0.00 0.00 175.17 176.90 3mkk s THR 457 N 1.02 1.99 0.33 -1.27 -1.32 -1.26 -4.83 115.64 110.30 3mkk s THR 457 Ca 0.07 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.65 3mkk s THR 457 Cb -0.13 -2.88 -0.06 0.00 -1.51 0.00 0.00 72.50 67.91 3mkk s THR 457 CO 0.04 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 172.77 3mkk s THR 458 N -3.45 2.19 0.18 5.08 -4.23 -1.26 -4.99 115.64 109.15 3mkk s THR 458 Ca 0.64 -2.22 -0.18 0.00 -1.18 0.00 0.00 61.69 58.75 3mkk s THR 458 Cb -0.12 -2.58 0.13 0.00 1.34 0.00 0.00 72.50 71.27 3mkk s THR 458 CO 0.51 -0.24 1.63 -0.09 -0.54 0.00 0.00 174.62 175.90 3mkk h ARG 459 N 2.08 -0.08 -0.38 3.99 2.43 -1.99 -0.91 114.38 119.51 3mkk h ARG 459 Ca -0.42 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 3mkk h ARG 459 Cb 1.25 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3mkk h ARG 459 CO 0.69 -0.06 -0.29 0.38 -1.51 0.00 0.00 179.97 179.19 3mkk h ASP 460 N -0.09 0.84 -0.34 -3.80 2.03 -1.99 -1.24 116.42 111.83 3mkk h ASP 460 Ca 0.23 -0.33 -0.01 0.00 -0.73 0.00 0.00 57.03 56.18 3mkk h ASP 460 Cb 0.44 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.69 3mkk h ASP 460 CO -0.53 1.07 0.17 0.25 -1.03 0.00 0.00 179.24 179.17 3mkk h LEU 461 N 0.69 0.45 -0.61 0.15 5.85 -1.92 -1.11 115.31 118.81 3mkk h LEU 461 Ca 0.08 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3mkk h LEU 461 Cb 0.83 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3mkk h LEU 461 CO 0.07 0.44 0.31 0.25 -0.34 0.00 0.00 178.44 179.17 3mkk h LEU 462 N 0.42 0.78 -0.76 2.25 5.85 -0.97 -0.95 115.31 121.94 3mkk h LEU 462 Ca 0.12 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3mkk h LEU 462 Cb 0.11 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3mkk h LEU 462 CO -0.02 0.68 0.47 -0.07 -0.34 0.00 0.00 178.44 179.16 3mkk h LEU 463 N 0.83 0.74 -0.38 2.25 3.38 -1.02 0.34 115.31 121.45 3mkk h LEU 463 Ca 0.21 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 3mkk h LEU 463 Cb 0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3mkk h LEU 463 CO -0.03 0.49 -0.68 0.03 0.09 0.00 0.00 178.44 178.34 3mkk h ARG 464 N 0.88 0.55 0.13 1.13 2.47 -0.84 -1.64 114.38 117.06 3mkk h ARG 464 Ca 0.32 -0.41 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 3mkk h ARG 464 Cb 0.11 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 3mkk h ARG 464 CO -0.15 1.03 -0.16 0.74 0.56 0.00 0.00 179.97 182.00 3mkk h PHE 465 N 0.39 -0.42 -0.97 3.04 -1.00 -0.92 -2.78 116.94 114.28 3mkk h PHE 465 Ca -0.02 0.00 0.17 0.00 2.81 0.00 0.00 57.97 60.93 3mkk h PHE 465 Cb 1.26 0.17 -0.09 0.00 3.61 0.00 0.00 35.95 40.90 3mkk h PHE 465 CO 0.05 -0.24 0.61 -0.07 -1.61 0.00 0.00 178.31 177.05 3mkk h LEU 466 N -0.34 0.73 -1.27 1.54 3.38 -0.77 -0.24 115.31 118.35 3mkk h LEU 466 Ca 0.01 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3mkk h LEU 466 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3mkk h LEU 466 CO -0.06 0.32 -0.35 0.00 0.09 0.00 0.00 178.44 178.43 3mkk h ALA 467 N 1.60 1.30 -0.06 1.53 0.00 -1.05 -0.77 119.26 121.81 3mkk h ALA 467 Ca 0.52 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3mkk h ALA 467 Cb 0.81 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3mkk h ALA 467 CO -0.29 0.44 -0.65 1.25 0.00 0.00 0.00 179.25 180.01 3mkk h LEU 468 N 0.00 0.68 -1.94 0.00 5.85 -1.14 -3.34 115.31 115.42 3mkk h LEU 468 Ca -0.00 -0.69 0.04 0.00 0.84 0.00 0.00 57.88 58.06 3mkk h LEU 468 Cb 0.68 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3mkk h LEU 468 CO 0.05 1.27 0.13 1.23 -0.34 0.00 0.00 178.44 180.77 3mkk h GLY 469 N 0.15 0.08 -0.85 3.75 0.00 -0.35 -1.43 103.07 104.43 3mkk h GLY 469 Ca -0.06 -0.03 0.33 0.00 0.00 0.00 0.00 47.33 47.57 3mkk h GLY 469 CO 0.13 0.02 0.34 -2.08 0.00 0.00 0.00 176.54 174.95 3mkk h VAL 470 N 0.07 0.09 -0.00 4.60 2.07 -1.29 -1.45 116.25 120.33 3mkk h VAL 470 Ca 0.08 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3mkk h VAL 470 Cb 0.24 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3mkk h VAL 470 CO -0.01 0.01 -0.54 0.49 0.02 0.00 0.00 177.57 177.55 3mkk n PHE 471 N -5.30 0.00 -3.61 1.57 3.72 -0.54 -4.81 117.46 108.49 3mkk n PHE 471 Ca 0.30 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.34 3mkk n PHE 471 Cb 1.00 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 39.32 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 -2.83 5.35 0.22 4.37 -4.23 -0.55 -4.99 115.64 112.98 3mkk s THR 472 Ca 0.14 0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 3mkk s THR 472 Cb 0.18 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.66 3mkk s THR 472 CO 0.68 0.40 1.65 -0.65 -0.54 0.00 0.00 174.62 176.17 3mkk h PRO 473 N 6.71 0.09 -5.99 3.99 0.11 -1.82 -3.29 132.00 131.80 3mkk h PRO 473 Ca -0.41 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.11 3mkk h PRO 473 Cb 1.16 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 3mkk h PRO 473 CO 0.76 0.06 0.63 -1.17 -0.21 0.00 0.00 178.00 178.07 3mkk s LEU 474 N -10.72 4.05 -0.40 2.35 2.96 -0.93 -4.56 118.68 111.44 3mkk s LEU 474 Ca -0.14 1.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 3mkk s LEU 474 Cb 0.19 -3.34 0.12 0.00 0.50 0.00 0.00 46.19 43.66 3mkk s LEU 474 CO 0.74 -0.67 0.16 -0.32 -1.32 0.00 0.00 176.35 174.94 3mkk s MET 475 N 3.17 1.31 -0.04 1.98 -2.45 -1.24 -4.27 119.30 117.76 3mkk s MET 475 Ca 0.39 -1.86 0.00 0.00 -1.25 0.00 0.00 55.69 52.98 3mkk s MET 475 Cb -0.14 -2.63 0.03 0.00 1.25 0.00 0.00 34.83 33.34 3mkk s MET 475 CO 0.10 -1.06 -0.01 0.50 1.05 0.00 0.00 175.02 175.61 3mkk s ARG 476 N 0.68 0.49 -0.35 4.11 3.52 -1.26 -0.91 118.95 125.23 3mkk s ARG 476 Ca 0.14 0.05 -0.22 0.00 -0.13 0.00 0.00 55.73 55.57 3mkk s ARG 476 Cb -0.22 -0.68 0.00 0.00 -1.56 0.00 0.00 34.95 32.50 3mkk s ARG 476 CO -0.08 -0.16 0.69 0.34 -0.81 0.00 0.00 175.30 175.28 3mkk s ASP 477 N 1.23 6.49 0.07 -2.12 -1.08 -0.69 -0.67 116.67 119.89 3mkk s ASP 477 Ca -0.07 0.27 0.01 0.00 -0.52 0.00 0.00 52.55 52.24 3mkk s ASP 477 Cb -0.13 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 38.93 3mkk s ASP 477 CO -0.02 -0.63 -0.06 -2.28 0.52 0.00 0.00 175.17 172.70 3mkk s HIS 478 N 2.85 0.72 -0.09 -5.34 2.46 -1.24 -0.40 115.29 114.25 3mkk s HIS 478 Ca 0.27 -0.85 -0.23 0.00 0.47 0.00 0.00 55.06 54.72 3mkk s HIS 478 Cb -0.14 -0.44 0.05 0.00 -0.13 0.00 0.00 32.58 31.92 3mkk s HIS 478 CO 0.15 -0.20 0.55 0.00 -2.47 0.00 0.00 174.74 172.77 3mkk s ALA 479 N -3.16 -1.39 0.66 1.58 0.00 -1.23 -4.16 121.76 114.06 3mkk s ALA 479 Ca 0.05 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3mkk s ALA 479 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3mkk s ALA 479 CO -0.05 -0.31 1.05 0.00 0.00 0.00 0.00 175.76 176.45 3mkk s ALA 480 N -0.81 2.83 0.56 0.00 0.00 -0.21 -1.45 121.76 122.68 3mkk s ALA 480 Ca -0.09 0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 3mkk s ALA 480 Cb -0.03 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 3mkk s ALA 480 CO 0.06 -1.00 1.22 -1.83 0.00 0.00 0.00 175.76 174.22 3mkk s GLU 481 N -5.00 3.17 0.00 0.00 -1.05 -1.23 -2.90 118.70 111.69 3mkk s GLU 481 Ca 0.57 1.88 0.00 0.00 -0.15 0.00 0.00 54.97 57.28 3mkk s GLU 481 Cb -0.13 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 3mkk s GLU 481 CO 0.53 -1.06 0.00 0.41 0.95 0.00 0.00 175.26 176.08 3mkk n GLY 482 N 0.53 2.43 3.90 -3.83 0.00 -1.26 -5.02 105.19 101.93 3mkk n GLY 482 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 4.00 0.44 2.61 -4.23 -1.14 -5.01 115.64 109.89 3mkk s THR 483 Ca 0.00 0.22 -0.26 0.00 -1.18 0.00 0.00 61.69 60.47 3mkk s THR 483 Cb 0.00 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 3mkk s THR 483 CO 0.00 -0.65 1.45 -0.60 -0.54 0.00 0.00 174.62 174.28 3mkk s ARG 484 N -5.02 3.77 0.23 3.99 3.52 -1.26 -4.88 118.95 119.29 3mkk s ARG 484 Ca 0.53 2.47 -0.30 0.00 -0.13 0.00 0.00 55.73 58.30 3mkk s ARG 484 Cb -0.11 -2.72 -0.09 0.00 -1.56 0.00 0.00 34.95 30.47 3mkk s ARG 484 CO 0.47 -0.77 1.35 -1.21 -0.81 0.00 0.00 175.30 174.33 3mkk s GLU 485 N -2.38 4.35 -0.09 5.12 2.02 -1.26 -4.76 118.70 121.70 3mkk s GLU 485 Ca 0.59 2.14 0.12 0.00 0.02 0.00 0.00 54.97 57.85 3mkk s GLU 485 Cb -0.45 -3.16 0.20 0.00 0.10 0.00 0.00 34.13 30.83 3mkk s GLU 485 CO 0.58 -0.29 1.10 0.00 0.02 0.00 0.00 175.26 176.67 3mkk n GLN 486 N 2.36 0.83 -1.72 1.61 10.64 -1.26 -4.90 117.38 124.94 3mkk n GLN 486 Ca 0.06 -2.07 -0.37 0.00 -1.83 0.00 0.00 57.00 52.79 3mkk n GLN 486 Cb 0.42 -1.13 0.07 0.00 -0.86 0.00 0.00 30.24 28.74 3mkk n GLN 486 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3mkk n GLU 487 N -0.89 1.13 -0.03 2.61 4.71 -1.26 -4.89 120.64 122.03 3mkk n GLU 487 Ca 0.11 0.44 0.11 0.00 -0.01 0.00 0.00 57.16 57.81 3mkk n GLU 487 Cb 0.68 -2.52 0.53 0.00 -1.01 0.00 0.00 31.44 29.11 3mkk n GLU 487 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mkk n TYR 489 N -4.47 0.02 1.30 0.00 4.11 -1.26 -3.56 117.16 113.30 3mkk n TYR 489 Ca 0.08 -0.01 0.09 0.00 -0.00 0.00 0.00 57.90 58.05 3mkk n TYR 489 Cb 0.33 0.00 0.33 0.00 -0.00 0.00 0.00 39.34 40.00 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 -0.60 1.60 -4.28 -3.48 1.13 -0.53 -4.94 117.38 106.29 3mkk n GLN 490 Ca 0.07 -0.91 -0.15 0.00 -1.94 0.00 0.00 57.00 54.07 3mkk n GLN 490 Cb 0.05 -1.33 -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 -1.77 1.38 0.74 1.08 0.08 -1.23 -5.06 117.98 113.19 3mkk s PHE 491 Ca 0.28 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 3mkk s PHE 491 Cb 0.15 -0.71 0.04 0.00 -0.57 0.00 0.00 43.02 41.93 3mkk s PHE 491 CO 0.22 0.11 1.11 -1.21 -0.10 0.00 0.00 175.22 175.35 3mkk s GLU 492 N -3.75 2.34 -1.12 0.44 8.01 -1.26 -4.23 118.70 119.13 3mkk s GLU 492 Ca 0.19 1.32 -0.10 0.00 0.01 0.00 0.00 54.97 56.40 3mkk s GLU 492 Cb 0.02 -1.90 -0.04 0.00 -4.31 0.00 0.00 34.13 27.91 3mkk s GLU 492 CO 0.03 -1.60 0.86 0.09 0.01 0.00 0.00 175.26 174.65 3mkk n ASN 493 N -3.13 -5.36 0.27 -0.19 4.13 -1.26 -4.87 115.26 104.85 3mkk n ASN 493 Ca 0.10 -0.82 0.17 0.00 1.68 0.00 0.00 54.58 55.72 3mkk n ASN 493 Cb 0.52 -4.48 0.93 0.00 -1.54 0.00 0.00 39.78 35.21 3mkk n ASN 493 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3mkk h ILE 494 N -1.48 0.37 -0.96 2.41 2.04 -1.90 -2.01 117.51 115.98 3mkk h ILE 494 Ca -0.63 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.49 3mkk h ILE 494 Cb 1.33 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 3mkk h ILE 494 CO 0.47 0.00 0.66 1.05 0.00 0.00 0.00 178.15 180.33 3mkk h GLU 495 N 0.00 0.19 -0.24 2.37 9.09 -1.94 -0.23 114.58 123.82 3mkk h GLU 495 Ca 0.04 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.35 3mkk h GLU 495 Cb 0.26 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 3mkk h GLU 495 CO -0.00 0.12 -0.23 -0.44 0.05 0.00 0.00 179.01 178.51 3mkk h ASP 496 N 0.19 0.43 -0.13 3.06 3.32 -1.72 -0.55 116.42 121.02 3mkk h ASP 496 Ca 0.49 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.27 3mkk h ASP 496 Cb 1.58 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.01 3mkk h ASP 496 CO -0.11 0.67 -0.40 -0.26 -1.72 0.00 0.00 179.24 177.42 3mkk h PHE 497 N 0.39 0.65 -0.48 4.55 0.04 -1.26 -2.41 116.94 118.42 3mkk h PHE 497 Ca 0.06 -0.26 0.09 0.00 2.80 0.00 0.00 57.97 60.66 3mkk h PHE 497 Cb 0.62 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 38.59 3mkk h PHE 497 CO 0.02 1.01 0.04 -0.09 -0.60 0.00 0.00 178.31 178.69 3mkk h ARG 498 N 0.11 0.15 -0.49 1.51 2.43 -1.24 -1.14 114.38 115.71 3mkk h ARG 498 Ca -0.01 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3mkk h ARG 498 Cb 1.03 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 3mkk h ARG 498 CO 0.09 0.10 0.28 0.77 -1.51 0.00 0.00 179.97 179.70 3mkk h SER 499 N 0.15 0.45 -0.19 -3.80 0.02 -1.03 0.30 113.55 109.46 3mkk h SER 499 Ca 0.24 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 3mkk h SER 499 Cb 0.35 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 3mkk h SER 499 CO -0.37 0.32 -0.27 0.58 -1.14 0.00 0.00 176.83 175.94 3mkk h VAL 500 N 0.56 1.34 -0.14 2.27 2.07 -1.10 -2.63 116.25 118.62 3mkk h VAL 500 Ca 0.20 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.14 3mkk h VAL 500 Cb 0.03 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3mkk h VAL 500 CO -0.10 0.45 -0.34 0.40 0.02 0.00 0.00 177.57 178.00 3mkk h ILE 501 N 0.19 1.28 -0.89 4.57 2.04 -1.07 -2.31 117.51 121.32 3mkk h ILE 501 Ca 0.02 -1.37 0.07 0.00 1.00 0.00 0.00 64.86 64.58 3mkk h ILE 501 Cb 0.85 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 3mkk h ILE 501 CO 0.06 0.41 0.55 0.78 0.00 0.00 0.00 178.15 179.96 3mkk h ASN 502 N 0.24 0.86 -0.95 1.72 2.35 -0.24 -1.54 115.58 118.01 3mkk h ASN 502 Ca 0.03 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3mkk h ASN 502 Cb 0.73 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.89 3mkk h ASN 502 CO 0.06 0.53 0.62 0.00 -1.65 0.00 0.00 177.43 176.99 3mkk h ALA 503 N 1.43 1.24 -0.08 -0.83 0.00 -1.04 -0.00 119.26 119.98 3mkk h ALA 503 Ca 0.40 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3mkk h ALA 503 Cb 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3mkk h ALA 503 CO -0.19 0.53 -0.09 -0.09 0.00 0.00 0.00 179.25 179.42 3mkk h ARG 504 N 1.23 -0.11 -0.13 0.00 9.65 -1.20 -1.95 114.38 121.87 3mkk h ARG 504 Ca 0.37 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 59.16 3mkk h ARG 504 Cb -0.05 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3mkk h ARG 504 CO -0.11 -0.07 -0.34 1.88 2.80 0.00 0.00 179.97 184.14 3mkk h TYR 505 N -0.11 0.29 0.00 2.20 -1.99 -0.79 -0.38 116.97 116.18 3mkk h TYR 505 Ca 0.06 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 3mkk h TYR 505 Cb 0.20 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 3mkk h TYR 505 CO -0.19 0.57 -0.35 0.00 -0.00 0.00 0.00 178.16 178.18 3mkk h ARG 506 N 0.22 0.00 -0.01 4.88 3.08 -0.86 -2.73 114.38 118.96 3mkk h ARG 506 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3mkk h ARG 506 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3mkk h ARG 506 CO 0.05 0.35 -0.34 1.28 -1.07 0.00 0.00 179.97 180.25 3mkk n LEU 507 N -3.99 1.53 -0.20 3.04 4.77 -0.75 -1.47 117.00 119.94 3mkk n LEU 507 Ca -0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3mkk n LEU 507 Cb 0.41 -0.06 0.11 0.00 -2.33 0.00 0.00 43.42 41.54 3mkk n LEU 507 CO 0.38 0.28 0.96 0.58 -1.33 0.00 0.00 177.39 178.26 3mkk h VAL 508 N 1.86 0.72 -0.56 4.08 2.07 -0.77 0.78 116.25 124.42 3mkk h VAL 508 Ca 0.00 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3mkk h VAL 508 Cb 0.63 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3mkk h VAL 508 CO 0.00 0.06 0.34 -0.65 0.02 0.00 0.00 177.57 177.34 3mkk h PRO 509 N 0.35 0.64 -0.19 1.57 0.11 -1.80 0.38 132.00 133.06 3mkk h PRO 509 Ca 0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3mkk h PRO 509 Cb 0.42 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3mkk h PRO 509 CO -0.34 0.43 0.09 -0.92 -0.21 0.00 0.00 178.00 177.05 3mkk h TYR 510 N 0.66 0.27 -0.03 0.65 3.20 -1.60 -1.94 116.97 118.19 3mkk h TYR 510 Ca 0.23 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3mkk h TYR 510 Cb 0.03 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3mkk h TYR 510 CO -0.06 0.28 0.00 -0.07 -1.64 0.00 0.00 178.16 176.67 3mkk h LEU 511 N 0.18 0.05 -0.75 2.82 3.38 -0.55 -0.83 115.31 119.61 3mkk h LEU 511 Ca 0.06 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.82 3mkk h LEU 511 Cb 0.11 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3mkk h LEU 511 CO -0.01 0.31 0.45 0.22 0.09 0.00 0.00 178.44 179.50 3mkk h TYR 512 N -0.22 0.82 -0.04 1.13 3.20 -1.02 0.37 116.97 121.21 3mkk h TYR 512 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3mkk h TYR 512 Cb 0.29 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 3mkk h TYR 512 CO 0.02 0.41 0.03 1.03 -1.64 0.00 0.00 178.16 178.01 3mkk h SER 513 N 0.82 0.05 -0.56 -2.11 0.87 -1.13 -0.99 113.55 110.51 3mkk h SER 513 Ca 0.33 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 3mkk h SER 513 Cb 0.16 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3mkk h SER 513 CO -0.17 0.04 0.19 -0.33 -0.53 0.00 0.00 176.83 176.03 3mkk h GLU 514 N 0.06 0.90 0.11 2.24 4.39 -0.86 -0.00 114.58 121.41 3mkk h GLU 514 Ca 0.02 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.56 3mkk h GLU 514 Cb -0.00 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3mkk h GLU 514 CO -0.00 0.77 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.53 3mkk h TYR 515 N 0.87 -0.43 -0.24 4.33 3.20 -0.61 -0.80 116.97 123.29 3mkk h TYR 515 Ca 0.20 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3mkk h TYR 515 Cb 0.25 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3mkk h TYR 515 CO 0.02 -0.25 0.06 0.52 -1.64 0.00 0.00 178.16 176.86 3mkk h MET 516 N -0.33 0.39 -0.18 1.82 2.86 -0.89 0.23 114.93 118.84 3mkk h MET 516 Ca 0.02 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3mkk h MET 516 Cb 0.34 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3mkk h MET 516 CO -0.08 0.50 -0.05 0.87 1.06 0.00 0.00 176.91 179.21 3mkk h LYS 517 N 0.22 -0.01 -0.12 1.72 1.57 -0.98 -1.03 116.57 117.94 3mkk h LYS 517 Ca 0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3mkk h LYS 517 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3mkk h LYS 517 CO 0.00 -0.01 -0.04 0.00 -0.57 0.00 0.00 179.45 178.83 3mkk h ALA 518 N 1.16 0.06 -0.51 3.86 0.00 -0.79 -2.18 119.26 120.86 3mkk h ALA 518 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mkk h ALA 518 Cb 0.14 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3mkk h ALA 518 CO -0.19 -0.50 0.31 0.00 0.00 0.00 0.00 179.25 178.87 3mkk h ALA 519 N 1.09 0.65 0.00 0.00 0.00 -0.29 0.31 119.26 121.03 3mkk h ALA 519 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mkk h ALA 519 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mkk h ALA 519 CO -0.13 0.14 -0.11 -0.07 0.00 0.00 0.00 179.25 179.07 3mkk h LEU 520 N 0.69 0.00 -2.94 0.00 3.38 -1.08 -2.85 115.31 112.50 3mkk h LEU 520 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3mkk h LEU 520 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3mkk h LEU 520 CO -0.03 0.11 0.00 0.59 0.09 0.00 0.00 178.44 179.20 3mkk n ASN 521 N -3.19 3.62 -3.77 -0.43 3.02 -0.83 -4.98 115.26 108.70 3mkk n ASN 521 Ca 0.01 -2.20 -0.23 0.00 -0.03 0.00 0.00 54.58 52.13 3mkk n ASN 521 Cb 0.44 -0.39 0.02 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.77 -1.54 -4.56 6.41 8.00 -0.57 -5.00 116.55 120.06 3mkk n ASP 522 Ca 0.18 -0.84 -0.28 0.00 0.71 0.00 0.00 54.79 54.56 3mkk n ASP 522 Cb 0.61 -3.89 -0.10 0.00 -0.02 0.00 0.00 41.12 37.73 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 -4.22 3.50 -0.11 -2.24 -1.08 0.99 -4.69 116.67 108.83 3mkk s ASP 523 Ca 0.10 -1.50 -0.11 0.00 -0.52 0.00 0.00 52.55 50.52 3mkk s ASP 523 Cb -0.05 0.07 -0.05 0.00 -1.46 0.00 0.00 42.92 41.43 3mkk s ASP 523 CO 0.83 -0.67 0.24 -0.04 0.52 0.00 0.00 175.17 176.05 3mkk s MET 524 N -3.80 3.82 -0.13 4.34 -1.94 -1.26 -4.35 119.30 115.98 3mkk s MET 524 Ca 0.25 0.05 -0.25 0.00 -1.71 0.00 0.00 55.69 54.03 3mkk s MET 524 Cb 0.06 -3.27 -0.26 0.00 2.01 0.00 0.00 34.83 33.37 3mkk s MET 524 CO 0.12 0.59 0.69 -0.92 -0.01 0.00 0.00 175.02 175.49 3mkk h TYR 525 N 5.45 0.15 -2.93 -0.03 3.20 -1.93 -3.42 116.97 117.46 3mkk h TYR 525 Ca -0.50 -0.11 -0.65 0.00 3.14 0.00 0.00 58.73 60.62 3mkk h TYR 525 Cb 1.20 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 3mkk h TYR 525 CO 0.69 1.19 -0.53 -0.06 -1.64 0.00 0.00 178.16 177.81 3mkk s PHE 526 N -2.31 3.43 0.01 -3.82 0.08 -1.26 -1.48 117.98 112.63 3mkk s PHE 526 Ca -0.20 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.15 3mkk s PHE 526 Cb -0.00 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 3mkk s PHE 526 CO 0.71 0.61 -0.01 0.15 -0.10 0.00 0.00 175.22 176.57 3mkk s LYS 527 N -1.81 0.13 0.62 0.44 1.02 0.17 -4.69 119.74 115.62 3mkk s LYS 527 Ca 0.25 -0.23 -0.18 0.00 0.02 0.00 0.00 55.97 55.82 3mkk s LYS 527 Cb -0.12 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.18 3mkk s LYS 527 CO 0.16 -0.01 1.24 -2.14 -0.92 0.00 0.00 175.35 173.67 3mkk s PRO 528 N -0.54 2.81 0.41 -1.68 0.02 -1.26 -1.02 135.00 133.73 3mkk s PRO 528 Ca -0.06 1.90 0.18 0.00 0.02 0.00 0.00 61.00 63.05 3mkk s PRO 528 Cb -0.04 -1.90 1.10 0.00 0.02 0.00 0.00 34.50 33.68 3mkk s PRO 528 CO -0.00 -1.35 1.82 -0.07 -0.33 0.00 0.00 177.00 177.06 3mkk h LEU 529 N 0.73 0.42 -1.67 -5.54 4.07 -1.81 -0.83 115.31 110.68 3mkk h LEU 529 Ca -0.51 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.48 3mkk h LEU 529 Cb 1.31 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.03 3mkk h LEU 529 CO 0.54 0.13 -0.15 1.23 -1.08 0.00 0.00 178.44 179.11 3mkk h GLY 530 N 0.40 0.00 1.88 0.83 0.00 -1.81 0.17 103.07 104.53 3mkk h GLY 530 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.75 3mkk h GLY 530 CO -0.22 0.00 -0.46 0.74 0.00 0.00 0.00 176.54 176.60 3mkk h PHE 531 N 0.00 0.15 0.00 5.60 -1.00 -1.50 -2.81 116.94 117.38 3mkk h PHE 531 Ca -0.00 -0.04 -0.28 0.00 2.81 0.00 0.00 57.97 60.45 3mkk h PHE 531 Cb 0.47 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.94 3mkk h PHE 531 CO 0.00 0.57 -2.03 0.28 -1.61 0.00 0.00 178.31 175.51 3mkk n VAL 532 N -3.99 1.28 -3.05 -0.55 0.31 -0.88 -4.60 118.33 106.85 3mkk n VAL 532 Ca -0.02 -0.78 -0.24 0.00 -0.01 0.00 0.00 64.34 63.29 3mkk n VAL 532 Cb 0.50 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 32.78 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 -2.80 2.81 0.17 3.52 4.01 0.53 -4.95 117.16 120.46 3mkk n TYR 533 Ca -0.23 -3.95 0.18 0.00 -0.16 0.00 0.00 57.90 53.75 3mkk n TYR 533 Cb 1.03 -0.47 0.80 0.00 -0.31 0.00 0.00 39.34 40.38 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 3.10 0.00 -0.02 -0.72 0.13 -1.73 -2.39 132.00 130.36 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 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3mkk h PRO 534 CO 0.72 0.00 -0.09 -0.25 -0.23 0.00 0.00 178.00 178.15 3mkk n ASP 535 N -3.84 2.26 -4.33 1.44 8.00 -1.26 -4.79 116.55 114.03 3mkk n ASP 535 Ca 0.03 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.42 3mkk n ASP 535 Cb 0.40 0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.11 5.86 0.54 -2.24 -1.08 -0.90 -4.94 116.67 111.81 3mkk s ASP 536 Ca 0.29 -1.39 0.21 0.00 -0.52 0.00 0.00 52.55 51.14 3mkk s ASP 536 Cb 0.20 -2.07 1.45 0.00 -1.46 0.00 0.00 42.92 41.03 3mkk s ASP 536 CO 0.37 -0.57 2.18 0.11 0.52 0.00 0.00 175.17 177.77 3mkk h LYS 537 N 8.56 0.00 0.20 4.34 1.79 -1.86 -0.82 116.57 128.78 3mkk h LYS 537 Ca -0.25 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 57.90 3mkk h LYS 537 Cb 1.10 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.78 3mkk h LYS 537 CO 0.80 0.00 -1.35 1.98 -1.08 0.00 0.00 179.45 179.80 3mkk h MET 538 N 0.00 0.57 -0.49 3.15 4.05 -1.95 -3.33 114.93 116.93 3mkk h MET 538 Ca 0.01 -0.87 0.01 0.00 -0.28 0.00 0.00 59.70 58.57 3mkk h MET 538 Cb 0.03 0.31 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 3mkk h MET 538 CO -0.00 1.41 0.30 0.00 0.23 0.00 0.00 176.91 178.85 3mkk h ALA 539 N 0.20 0.62 -0.00 0.39 0.00 -1.52 -2.85 119.26 116.10 3mkk h ALA 539 Ca -0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mkk h ALA 539 Cb 2.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 3mkk h ALA 539 CO 0.26 0.02 0.06 -0.84 0.00 0.00 0.00 179.25 178.74 3mkk h ILE 540 N 0.61 0.01 -0.21 0.00 3.07 -1.33 -2.40 117.51 117.25 3mkk h ILE 540 Ca 0.19 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.60 3mkk h ILE 540 Cb -0.02 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 37.47 3mkk h ILE 540 CO -0.07 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 177.57 3mkk n ARG 541 N -3.06 1.86 -2.44 0.16 1.74 -1.08 -4.60 116.66 109.25 3mkk n ARG 541 Ca -0.03 -1.79 -0.41 0.00 -0.77 0.00 0.00 57.85 54.85 3mkk n ARG 541 Cb 0.12 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.18 3.80 0.00 1.55 1.01 -0.90 -4.93 120.40 119.74 3mkk s VAL 542 Ca 0.24 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3mkk s VAL 542 Cb 0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3mkk s VAL 542 CO 0.21 0.21 0.07 -0.62 0.00 0.00 0.00 175.10 174.97 3mkk n GLU 543 N 2.81 2.92 -0.49 2.72 1.02 -1.26 -4.65 120.64 123.71 3mkk n GLU 543 Ca 0.05 -0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 3mkk n GLU 543 Cb 0.46 -0.42 0.20 0.00 -0.02 0.00 0.00 31.44 31.66 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 -0.44 2.60 -4.09 1.62 5.68 -1.26 -4.76 116.55 115.89 3mkk n ASP 544 Ca 0.00 -3.46 -0.11 0.00 -0.50 0.00 0.00 54.79 50.71 3mkk n ASP 544 Cb 0.03 -0.54 -0.11 0.00 -1.14 0.00 0.00 41.12 39.36 3mkk n ASP 544 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3mkk s GLN 545 N -3.06 0.62 0.01 0.11 -0.21 -1.26 -4.45 119.66 111.42 3mkk s GLN 545 Ca 0.39 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.81 3mkk s GLN 545 Cb 0.35 -0.19 -0.01 0.00 1.00 0.00 0.00 33.01 34.17 3mkk s GLN 545 CO 0.01 0.01 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.65 3mkk s LEU 546 N -2.16 2.08 0.25 2.90 1.43 -0.95 -4.51 118.68 117.72 3mkk s LEU 546 Ca -0.02 -0.19 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 3mkk s LEU 546 Cb -0.03 -0.08 -0.09 0.00 0.03 0.00 0.00 46.19 46.01 3mkk s LEU 546 CO -0.02 -0.06 0.88 -0.04 0.23 0.00 0.00 176.35 177.34 3mkk s MET 547 N -0.51 4.64 -0.12 1.70 -1.94 -0.19 -0.23 119.30 122.64 3mkk s MET 547 Ca -0.04 1.29 0.01 0.00 -1.71 0.00 0.00 55.69 55.25 3mkk s MET 547 Cb -0.04 -3.07 0.02 0.00 2.01 0.00 0.00 34.83 33.75 3mkk s MET 547 CO -0.00 0.44 -0.15 -1.17 -0.01 0.00 0.00 175.02 174.12 3mkk s LEU 548 N -1.56 1.74 0.00 -0.03 0.20 -0.55 -0.66 118.68 117.82 3mkk s LEU 548 Ca 0.43 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.80 3mkk s LEU 548 Cb -0.22 -1.14 0.00 0.00 -0.43 0.00 0.00 46.19 44.40 3mkk s LEU 548 CO 0.27 0.00 0.00 0.61 -0.29 0.00 0.00 176.35 176.94 3mkk n GLY 549 N 4.35 2.94 0.08 7.98 0.00 -0.55 -2.77 105.19 117.21 3mkk n GLY 549 Ca -0.18 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 2.02 1.47 -0.03 1.61 3.02 -1.26 -4.80 115.26 117.29 3mkk n ASN 550 Ca 0.00 -2.08 -0.03 0.00 -0.03 0.00 0.00 54.58 52.44 3mkk n ASN 550 Cb 0.00 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.58 1.09 -4.43 3.52 4.71 -1.21 -4.93 120.64 118.81 3mkk n GLU 551 Ca 0.04 0.02 -0.21 0.00 -0.01 0.00 0.00 57.16 57.00 3mkk n GLU 551 Cb 0.45 -1.11 -0.10 0.00 -1.01 0.00 0.00 31.44 29.67 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 -2.11 1.56 0.02 -3.67 -4.36 -1.12 -1.08 121.20 110.44 3mkk s ILE 552 Ca -0.06 -2.10 0.04 0.00 -0.26 0.00 0.00 60.65 58.27 3mkk s ILE 552 Cb 0.02 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 3mkk s ILE 552 CO 0.14 -0.26 -0.11 -0.32 0.24 0.00 0.00 174.94 174.63 3mkk s MET 553 N -3.76 0.81 0.21 0.37 -2.45 -0.11 -1.48 119.30 112.89 3mkk s MET 553 Ca 0.30 -0.57 0.10 0.00 -1.25 0.00 0.00 55.69 54.27 3mkk s MET 553 Cb 0.05 -0.77 -0.04 0.00 1.25 0.00 0.00 34.83 35.31 3mkk s MET 553 CO 0.12 0.20 -0.15 0.96 1.05 0.00 0.00 175.02 177.20 3mkk s ILE 554 N -0.64 2.83 -0.50 10.11 -4.36 0.68 -1.24 121.20 128.07 3mkk s ILE 554 Ca 0.01 -1.91 0.06 0.00 -0.26 0.00 0.00 60.65 58.55 3mkk s ILE 554 Cb -0.06 -2.41 0.20 0.00 1.25 0.00 0.00 42.46 41.44 3mkk s ILE 554 CO 0.00 -0.17 0.78 0.00 0.24 0.00 0.00 174.94 175.80 3mkk n ALA 555 N -0.05 -1.89 -1.78 2.27 0.00 -1.26 -2.23 120.51 115.57 3mkk n ALA 555 Ca -0.10 -1.05 -0.36 0.00 0.00 0.00 0.00 53.44 51.93 3mkk n ALA 555 Cb 0.57 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 3mkk n ALA 555 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mkk s PRO 556 N 0.83 3.84 0.02 0.00 0.04 -1.26 -4.95 135.00 133.53 3mkk s PRO 556 Ca 0.30 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3mkk s PRO 556 Cb 0.06 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3mkk s PRO 556 CO -0.10 -0.43 1.03 0.08 0.04 0.00 0.00 177.00 177.62 3mkk s VAL 557 N -1.73 4.64 -0.06 -0.36 1.01 -1.26 -4.95 120.40 117.70 3mkk s VAL 557 Ca 0.64 1.92 0.11 0.00 0.00 0.00 0.00 61.98 64.65 3mkk s VAL 557 Cb -0.22 -4.23 0.19 0.00 0.00 0.00 0.00 36.38 32.12 3mkk s VAL 557 CO 0.27 0.16 1.09 0.00 0.00 0.00 0.00 175.10 176.63 3mkk n TYR 558 N 3.80 0.00 -4.99 5.22 0.18 -1.26 -4.88 117.16 115.24 3mkk n TYR 558 Ca 0.06 -0.51 -0.32 0.00 1.88 0.00 0.00 57.90 59.01 3mkk n TYR 558 Cb 0.50 -0.11 -0.15 0.00 -0.38 0.00 0.00 39.34 39.19 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 -1.10 3.05 0.44 -3.48 2.02 -1.26 -4.66 118.70 113.71 3mkk s GLU 559 Ca 0.18 -0.77 -0.25 0.00 0.02 0.00 0.00 54.97 54.15 3mkk s GLU 559 Cb 0.18 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.90 3mkk s GLU 559 CO -0.03 0.29 1.30 -1.14 0.02 0.00 0.00 175.26 175.70 3mkk s GLN 560 N 0.12 3.76 0.00 1.61 0.74 -1.26 -2.34 119.66 122.30 3mkk s GLN 560 Ca -0.09 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.44 3mkk s GLN 560 Cb -0.15 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.36 3mkk s GLN 560 CO 0.06 -0.65 0.00 0.09 -0.55 0.00 0.00 175.29 174.23 3mkk n ASN 561 N -0.21 -1.25 -4.76 6.67 3.02 -1.26 -4.99 115.26 112.48 3mkk n ASN 561 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 3mkk n ASN 561 Cb 0.44 -1.84 -0.04 0.00 -0.61 0.00 0.00 39.78 37.73 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 -1.87 3.33 -0.75 5.41 0.00 -0.99 -4.93 121.76 121.97 3mkk s ALA 562 Ca 0.00 0.82 0.16 0.00 0.00 0.00 0.00 51.96 52.93 3mkk s ALA 562 Cb 0.00 -3.30 0.58 0.00 0.00 0.00 0.00 23.12 20.41 3mkk s ALA 562 CO 0.00 -0.12 1.50 0.54 0.00 0.00 0.00 175.76 177.68 3mkk n ARG 563 N 0.96 3.41 -3.60 0.00 1.74 -1.26 -4.84 116.66 113.07 3mkk n ARG 563 Ca 0.00 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 3mkk n ARG 563 Cb 0.46 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.49 -1.77 3.60 -0.13 0.00 -1.24 -0.67 105.19 105.47 3mkk n GLY 564 Ca 0.22 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.60 1.37 0.25 1.61 1.70 -0.81 -4.86 118.95 116.61 3mkk s ARG 565 Ca 0.00 -0.63 -0.21 0.00 -0.47 0.00 0.00 55.73 54.42 3mkk s ARG 565 Cb 0.00 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.84 3mkk s ARG 565 CO 0.00 -0.61 0.79 0.71 -1.08 0.00 0.00 175.30 175.10 3mkk s TYR 566 N -3.67 3.65 0.07 5.89 2.02 -1.26 -1.52 117.35 122.53 3mkk s TYR 566 Ca 0.06 1.50 0.01 0.00 -0.37 0.00 0.00 57.07 58.26 3mkk s TYR 566 Cb -0.03 -2.70 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 3mkk s TYR 566 CO -0.05 0.30 -0.06 0.14 -1.57 0.00 0.00 175.55 174.31 3mkk s VAL 567 N -1.56 0.52 -0.16 0.71 -7.23 -0.09 -4.96 120.40 107.62 3mkk s VAL 567 Ca 0.45 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 3mkk s VAL 567 Cb -0.17 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.45 3mkk s VAL 567 CO 0.22 -0.78 -0.20 -0.47 -0.31 0.00 0.00 175.10 173.56 3mkk s TYR 568 N -3.09 2.73 -0.34 2.82 5.04 -1.26 -1.19 117.35 122.05 3mkk s TYR 568 Ca 0.04 -1.42 -0.10 0.00 -2.44 0.00 0.00 57.07 53.15 3mkk s TYR 568 Cb 0.02 -1.87 0.01 0.00 0.35 0.00 0.00 41.96 40.47 3mkk s TYR 568 CO -0.05 -0.67 0.18 -0.51 -1.34 0.00 0.00 175.55 173.16 3mkk s LEU 569 N 1.01 4.37 0.00 6.97 1.43 -0.34 -4.97 118.68 127.16 3mkk s LEU 569 Ca -0.02 -0.72 0.23 0.00 -1.03 0.00 0.00 54.13 52.59 3mkk s LEU 569 Cb -0.15 -2.01 1.18 0.00 0.03 0.00 0.00 46.19 45.24 3mkk s LEU 569 CO -0.06 -0.27 1.75 -2.65 0.23 0.00 0.00 176.35 175.34 3mkk n PRO 570 N 4.99 0.37 -3.92 1.29 -0.02 -1.26 0.03 135.00 136.47 3mkk n PRO 570 Ca -0.13 0.06 -0.08 0.00 -2.02 0.00 0.00 63.50 61.33 3mkk n PRO 570 Cb 0.48 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 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 -2.51 1.63 0.28 -0.52 -1.05 -1.26 -4.90 118.70 110.36 3mkk s GLU 571 Ca 0.23 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 3mkk s GLU 571 Cb 0.15 0.53 -0.13 0.00 -0.44 0.00 0.00 34.13 34.24 3mkk s GLU 571 CO 0.34 -0.71 1.37 -1.91 0.95 0.00 0.00 175.26 175.30 3mkk n GLU 572 N -0.41 2.08 -4.01 -4.83 2.13 -1.26 -4.09 120.64 110.24 3mkk n GLU 572 Ca -0.03 0.74 -0.09 0.00 0.66 0.00 0.00 57.16 58.43 3mkk n GLU 572 Cb 0.61 -2.36 -0.08 0.00 0.27 0.00 0.00 31.44 29.87 3mkk n GLU 572 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3mkk s MET 573 N -0.92 0.95 -0.35 5.31 -1.94 -0.59 -1.74 119.30 120.02 3mkk s MET 573 Ca 0.63 -1.21 -0.13 0.00 -1.71 0.00 0.00 55.69 53.27 3mkk s MET 573 Cb -0.62 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 36.52 3mkk s MET 573 CO 0.54 -0.30 0.24 0.15 -0.01 0.00 0.00 175.02 175.64 3mkk s LYS 574 N -3.96 3.44 -0.12 2.03 1.02 0.22 -0.76 119.74 121.61 3mkk s LYS 574 Ca 0.15 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 3mkk s LYS 574 Cb 0.05 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 3mkk s LYS 574 CO -0.03 -0.47 1.35 0.12 -0.92 0.00 0.00 175.35 175.40 3mkk s PHE 575 N 1.71 2.70 -0.05 3.18 5.36 0.91 -1.28 117.98 130.51 3mkk s PHE 575 Ca 0.06 0.84 0.06 0.00 -0.96 0.00 0.00 56.93 56.93 3mkk s PHE 575 Cb -0.18 -3.60 -0.01 0.00 -0.34 0.00 0.00 43.02 38.90 3mkk s PHE 575 CO 0.10 -2.17 -0.23 0.42 -1.46 0.00 0.00 175.22 171.88 3mkk s ILE 576 N 3.40 1.89 -0.03 3.12 -1.09 0.52 -1.25 121.20 127.75 3mkk s ILE 576 Ca 0.59 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3mkk s ILE 576 Cb -0.25 -1.60 0.01 0.00 -1.58 0.00 0.00 42.46 39.04 3mkk s ILE 576 CO 0.19 0.53 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.80 3mkk s LYS 577 N -0.16 1.05 -0.27 2.79 1.02 -0.93 -1.26 119.74 121.98 3mkk s LYS 577 Ca -0.02 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 3mkk s LYS 577 Cb -0.13 -0.97 -0.00 0.00 -0.52 0.00 0.00 37.83 36.21 3mkk s LYS 577 CO 0.03 0.08 1.28 -0.06 -0.92 0.00 0.00 175.35 175.76 3mkk s PHE 578 N 0.33 2.75 0.31 3.18 0.40 -0.16 -1.34 117.98 123.44 3mkk s PHE 578 Ca -0.06 0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 57.16 3mkk s PHE 578 Cb -0.10 -3.80 -0.05 0.00 0.51 0.00 0.00 43.02 39.58 3mkk s PHE 578 CO 0.01 -1.66 0.56 -1.64 0.70 0.00 0.00 175.22 173.20 3mkk s MET 579 N 3.99 3.59 0.31 0.44 -1.94 -0.26 -1.97 119.30 123.45 3mkk s MET 579 Ca 0.55 -0.07 0.26 0.00 -1.71 0.00 0.00 55.69 54.72 3mkk s MET 579 Cb -0.18 -2.64 1.00 0.00 2.01 0.00 0.00 34.83 35.02 3mkk s MET 579 CO 0.21 0.18 1.77 -1.00 -0.01 0.00 0.00 175.02 176.16 3mkk h PRO 580 N 1.37 0.00 -0.09 2.03 0.13 -1.87 -2.13 132.00 131.45 3mkk h PRO 580 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3mkk h PRO 580 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3mkk h PRO 580 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 3mkk n ASP 581 N -2.42 0.68 0.00 1.44 3.85 -1.26 -4.87 116.55 113.97 3mkk n ASP 581 Ca 0.02 -1.68 0.00 0.00 -0.71 0.00 0.00 54.79 52.42 3mkk n ASP 581 Cb 0.29 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 3mkk n ASP 581 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mkk n GLY 582 N 0.86 0.71 3.94 6.12 0.00 -0.80 -5.07 105.19 110.94 3mkk n GLY 582 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.67 5.19 -0.20 1.61 1.04 -1.26 -4.84 113.70 112.56 3mkk s SER 583 Ca 0.00 0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.88 3mkk s SER 583 Cb 0.00 -1.27 0.04 0.00 0.10 0.00 0.00 66.02 64.89 3mkk s SER 583 CO 0.00 -1.30 -0.12 -0.63 0.98 0.00 0.00 173.24 172.16 3mkk s ILE 584 N -3.04 1.80 0.39 -1.02 1.01 -1.26 -1.10 121.20 117.97 3mkk s ILE 584 Ca 0.57 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 3mkk s ILE 584 Cb -0.11 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.46 3mkk s ILE 584 CO 0.43 0.22 0.81 -0.94 0.00 0.00 0.00 174.94 175.47 3mkk s SER 585 N 1.33 6.72 -0.02 3.58 1.04 -0.45 -4.91 113.70 120.99 3mkk s SER 585 Ca -0.01 1.35 -0.02 0.00 0.48 0.00 0.00 55.95 57.75 3mkk s SER 585 Cb -0.16 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.57 3mkk s SER 585 CO -0.09 -0.33 0.06 -1.61 0.98 0.00 0.00 173.24 172.25 3mkk s GLU 586 N -3.39 0.04 -0.12 4.02 2.02 -1.26 -2.19 118.70 117.83 3mkk s GLU 586 Ca 0.55 0.12 -0.06 0.00 0.02 0.00 0.00 54.97 55.60 3mkk s GLU 586 Cb -0.10 -0.04 0.05 0.00 0.10 0.00 0.00 34.13 34.14 3mkk s GLU 586 CO 0.22 -0.05 0.28 -2.00 0.02 0.00 0.00 175.26 173.73 3mkk s GLU 587 N 0.33 0.24 -0.13 1.61 2.12 -0.38 -4.98 118.70 117.51 3mkk s GLU 587 Ca -0.02 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 3mkk s GLU 587 Cb -0.04 -0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.24 3mkk s GLU 587 CO -0.01 -0.16 1.14 0.08 -0.54 0.00 0.00 175.26 175.76 3mkk s VAL 588 N 1.27 4.48 -0.08 3.70 1.01 -1.26 -0.06 120.40 129.45 3mkk s VAL 588 Ca -0.09 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.70 3mkk s VAL 588 Cb -0.10 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3mkk s VAL 588 CO -0.09 -0.07 -0.17 -0.76 0.00 0.00 0.00 175.10 174.01 3mkk s LEU 589 N 2.70 2.55 0.85 3.92 1.43 0.06 -4.94 118.68 125.25 3mkk s LEU 589 Ca 0.51 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 3mkk s LEU 589 Cb -0.20 -1.53 0.10 0.00 0.03 0.00 0.00 46.19 44.59 3mkk s LEU 589 CO 0.16 0.26 1.13 -1.61 0.23 0.00 0.00 176.35 176.51 3mkk s GLU 590 N -0.21 1.65 0.28 1.70 2.02 -1.26 -1.54 118.70 121.35 3mkk s GLU 590 Ca -0.00 0.37 -0.29 0.00 0.02 0.00 0.00 54.97 55.06 3mkk s GLU 590 Cb -0.13 -1.89 -0.14 0.00 0.10 0.00 0.00 34.13 32.07 3mkk s GLU 590 CO 0.03 -1.86 1.14 1.17 0.02 0.00 0.00 175.26 175.76 3mkk n LYS 591 N -3.55 1.61 0.00 1.61 4.81 -1.26 -4.69 118.16 116.69 3mkk n LYS 591 Ca 0.07 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3mkk n LYS 591 Cb 0.59 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.60 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 1.30 0.43 3.74 3.14 0.00 0.10 -4.96 105.19 108.94 3mkk n GLY 592 Ca 0.09 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.47 4.67 0.03 1.61 1.01 -1.26 -1.19 120.40 124.80 3mkk s VAL 593 Ca 0.00 1.75 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 3mkk s VAL 593 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3mkk s VAL 593 CO 0.00 0.35 -0.03 -1.00 0.00 0.00 0.00 175.10 174.42 3mkk s HIS 594 N -0.03 0.34 -0.17 5.22 3.76 -0.34 -5.00 115.29 119.07 3mkk s HIS 594 Ca 0.41 -0.68 -0.07 0.00 -0.15 0.00 0.00 55.06 54.57 3mkk s HIS 594 Cb -0.21 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 3mkk s HIS 594 CO 0.25 -0.24 0.05 -0.47 -0.85 0.00 0.00 174.74 173.48 3mkk s TYR 595 N -2.14 3.23 -0.04 1.40 5.04 -1.26 -0.91 117.35 122.67 3mkk s TYR 595 Ca -0.10 0.05 0.06 0.00 -2.44 0.00 0.00 57.07 54.65 3mkk s TYR 595 Cb -0.05 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.20 3mkk s TYR 595 CO -0.03 0.18 -0.22 0.14 -1.34 0.00 0.00 175.55 174.27 3mkk s VAL 596 N 0.23 2.39 -0.07 3.14 -7.23 -0.58 -4.98 120.40 113.31 3mkk s VAL 596 Ca 0.03 -0.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.98 3mkk s VAL 596 Cb -0.12 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 3mkk s VAL 596 CO 0.01 0.58 0.79 -1.81 -0.31 0.00 0.00 175.10 174.35 3mkk s ASP 597 N -0.57 7.07 -0.20 4.85 1.01 -1.26 -1.92 116.67 125.64 3mkk s ASP 597 Ca 0.08 1.30 -0.05 0.00 0.71 0.00 0.00 52.55 54.60 3mkk s ASP 597 Cb -0.11 -2.46 0.07 0.00 1.01 0.00 0.00 42.92 41.44 3mkk s ASP 597 CO 0.00 -0.19 0.09 -0.69 0.21 0.00 0.00 175.17 174.59 3mkk s VAL 598 N 1.05 -0.02 0.72 -1.27 1.01 0.16 -4.91 120.40 117.15 3mkk s VAL 598 Ca 0.41 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3mkk s VAL 598 Cb -0.18 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.51 3mkk s VAL 598 CO 0.20 -0.37 1.08 0.00 0.00 0.00 0.00 175.10 176.00 3mkk s ALA 599 N 2.10 2.66 0.53 5.51 0.00 -1.26 -3.67 121.76 127.63 3mkk s ALA 599 Ca 0.03 -0.16 0.26 0.00 0.00 0.00 0.00 51.96 52.09 3mkk s ALA 599 Cb -0.16 -3.10 1.41 0.00 0.00 0.00 0.00 23.12 21.27 3mkk s ALA 599 CO -0.15 -1.29 1.99 -0.07 0.00 0.00 0.00 175.76 176.24 3mkk h LEU 600 N -0.76 0.00 -3.45 0.00 3.38 -1.94 -1.73 115.31 110.80 3mkk h LEU 600 Ca -0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 3mkk h LEU 600 Cb 1.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 3mkk h LEU 600 CO 0.60 0.00 0.08 -0.46 0.09 0.00 0.00 178.44 178.75 3mkk n ASN 601 N -4.35 4.01 -4.25 -0.43 0.23 -1.26 -4.74 115.26 104.47 3mkk n ASN 601 Ca 0.10 -3.24 -0.29 0.00 -0.53 0.00 0.00 54.58 50.63 3mkk n ASN 601 Cb 0.64 -0.64 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 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 -2.97 1.96 -0.23 -3.83 2.02 -0.65 -3.98 118.70 111.01 3mkk s GLU 602 Ca 0.48 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 3mkk s GLU 602 Cb 0.39 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.80 3mkk s GLU 602 CO 0.09 0.47 -0.08 0.08 0.02 0.00 0.00 175.26 175.84 3mkk s VAL 603 N -0.46 2.84 0.14 2.63 1.01 -0.83 -4.70 120.40 121.03 3mkk s VAL 603 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3mkk s VAL 603 Cb -0.10 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3mkk s VAL 603 CO -0.00 0.28 0.24 -2.16 0.00 0.00 0.00 175.10 173.46 3mkk s PRO 604 N 1.34 3.33 0.26 2.72 0.04 -1.26 -0.99 135.00 140.43 3mkk s PRO 604 Ca 0.02 -0.63 -0.21 0.00 0.04 0.00 0.00 61.00 60.21 3mkk s PRO 604 Cb -0.16 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.50 3mkk s PRO 604 CO -0.05 0.53 0.78 -0.48 0.04 0.00 0.00 177.00 177.81 3mkk s LEU 605 N -3.10 -0.22 -0.07 -3.56 0.05 -0.39 -4.63 118.68 106.75 3mkk s LEU 605 Ca 0.34 -0.61 0.02 0.00 0.05 0.00 0.00 54.13 53.93 3mkk s LEU 605 Cb -0.11 2.62 0.01 0.00 -2.05 0.00 0.00 46.19 46.66 3mkk s LEU 605 CO 0.27 -1.28 -0.12 -0.36 -0.55 0.00 0.00 176.35 174.31 3mkk s PHE 606 N -3.67 1.49 -0.18 3.48 0.08 -0.38 -0.36 117.98 118.45 3mkk s PHE 606 Ca 0.12 -0.57 -0.17 0.00 0.12 0.00 0.00 56.93 56.42 3mkk s PHE 606 Cb -0.05 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3mkk s PHE 606 CO 0.06 -0.31 0.46 0.42 -0.10 0.00 0.00 175.22 175.75 3mkk s ILE 607 N 0.76 5.17 0.51 0.64 -1.09 -0.40 -0.93 121.20 125.85 3mkk s ILE 607 Ca -0.13 0.85 -0.21 0.00 -2.23 0.00 0.00 60.65 58.94 3mkk s ILE 607 Cb -0.16 -3.79 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 3mkk s ILE 607 CO 0.03 0.25 1.16 -0.13 -1.23 0.00 0.00 174.94 175.02 3mkk s ARG 608 N 1.18 3.48 0.13 2.79 0.52 -0.25 -0.61 118.95 126.19 3mkk s ARG 608 Ca 0.23 1.71 -0.33 0.00 -0.52 0.00 0.00 55.73 56.81 3mkk s ARG 608 Cb -0.15 -2.16 -0.18 0.00 0.52 0.00 0.00 34.95 32.99 3mkk s ARG 608 CO 0.09 -0.77 0.90 0.45 0.02 0.00 0.00 175.30 175.99 3mkk n SER 609 N -1.00 -0.02 -0.54 0.23 2.88 -0.71 -1.74 113.62 112.71 3mkk n SER 609 Ca 0.10 1.14 -0.07 0.00 -1.33 0.00 0.00 58.87 58.71 3mkk n SER 609 Cb 0.50 -1.03 -0.03 0.00 -0.75 0.00 0.00 64.21 62.90 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 1.81 0.88 3.41 0.46 0.00 -1.26 -5.00 105.19 105.50 3mkk n GLY 610 Ca 0.18 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.27 1.52 0.15 1.61 -0.14 -0.71 -4.73 119.74 115.17 3mkk s LYS 611 Ca 0.00 -1.77 -0.12 0.00 -1.36 0.00 0.00 55.97 52.72 3mkk s LYS 611 Cb 0.00 -1.04 0.01 0.00 -1.68 0.00 0.00 37.83 35.12 3mkk s LYS 611 CO 0.00 -0.00 0.32 0.00 -0.76 0.00 0.00 175.35 174.91 3mkk s ILE 613 N -3.90 0.87 0.23 0.00 -4.36 -0.09 -4.70 121.20 109.25 3mkk s ILE 613 Ca 0.10 -1.27 -0.17 0.00 -0.26 0.00 0.00 60.65 59.05 3mkk s ILE 613 Cb 0.03 -0.94 -0.08 0.00 1.25 0.00 0.00 42.46 42.72 3mkk s ILE 613 CO -0.05 -0.33 0.69 -2.16 0.24 0.00 0.00 174.94 173.33 3mkk s PRO 614 N -1.82 4.13 -0.09 0.37 0.04 -1.26 -1.18 135.00 135.20 3mkk s PRO 614 Ca -0.04 0.74 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 3mkk s PRO 614 Cb -0.09 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.69 3mkk s PRO 614 CO 0.01 0.36 -0.03 0.08 0.04 0.00 0.00 177.00 177.46 3mkk s VAL 615 N -1.62 0.63 0.68 -0.36 1.01 0.58 -4.48 120.40 116.85 3mkk s VAL 615 Ca 0.44 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 3mkk s VAL 615 Cb -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3mkk s VAL 615 CO 0.20 0.30 1.06 0.00 0.00 0.00 0.00 175.10 176.66 3mkk s ALA 616 N 1.80 2.97 0.67 5.51 0.00 -0.54 -1.67 121.76 130.50 3mkk s ALA 616 Ca 0.04 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 3mkk s ALA 616 Cb -0.13 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.01 3mkk s ALA 616 CO -0.06 -1.02 1.16 -1.21 0.00 0.00 0.00 175.76 174.64 3mkk s GLU 617 N -5.29 2.60 0.22 0.00 0.41 -1.26 -4.59 118.70 110.79 3mkk s GLU 617 Ca 0.57 1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 56.43 3mkk s GLU 617 Cb -0.11 -1.91 -0.09 0.00 -1.78 0.00 0.00 34.13 30.24 3mkk s GLU 617 CO 0.52 -1.44 1.34 0.00 -0.49 0.00 0.00 175.26 175.18 3mkk s ALA 618 N -2.07 3.55 0.20 5.21 0.00 -1.26 -4.67 121.76 122.72 3mkk s ALA 618 Ca 0.71 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.88 3mkk s ALA 618 Cb -0.25 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 3mkk s ALA 618 CO 0.41 -0.58 -0.05 0.00 0.00 0.00 0.00 175.76 175.53 3mkk s ALA 619 N 0.00 1.74 -1.42 0.00 0.00 -1.26 -5.02 121.76 115.80 3mkk s ALA 619 Ca 0.57 -1.67 0.24 0.00 0.00 0.00 0.00 51.96 51.10 3mkk s ALA 619 Cb -0.38 0.26 0.39 0.00 0.00 0.00 0.00 23.12 23.40 3mkk s ALA 619 CO 0.40 -0.16 1.33 0.39 0.00 0.00 0.00 175.76 177.73 3mkk n GLU 620 N -0.35 0.48 -3.60 0.00 1.02 -1.26 -4.73 120.64 112.20 3mkk n GLU 620 Ca -0.07 -0.32 -0.12 0.00 -0.02 0.00 0.00 57.16 56.63 3mkk n GLU 620 Cb 0.62 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.50 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 2.49 0.80 -0.90 0.00 2.07 -1.91 -2.61 116.25 116.19 3mkk h VAL 622 Ca -0.33 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.18 3mkk h VAL 622 Cb 1.25 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 3mkk h VAL 622 CO 0.44 0.08 0.58 0.50 0.02 0.00 0.00 177.57 179.19 3mkk h LYS 623 N 0.41 0.76 -0.00 1.57 3.64 -1.97 -2.35 116.57 118.63 3mkk h LYS 623 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3mkk h LYS 623 Cb 0.34 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3mkk h LYS 623 CO -0.28 0.50 -0.05 -0.25 -2.27 0.00 0.00 179.45 177.09 3mkk n ASP 624 N -4.56 0.34 -4.69 4.20 8.00 -0.98 -4.90 116.55 113.95 3mkk n ASP 624 Ca 0.17 -0.63 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 3mkk n ASP 624 Cb 0.41 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3mkk n ASP 624 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mkk s ILE 625 N -2.36 2.89 -0.50 0.53 1.01 -0.89 -4.90 121.20 116.98 3mkk s ILE 625 Ca 0.33 0.39 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 3mkk s ILE 625 Cb 0.21 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.47 3mkk s ILE 625 CO 0.44 0.00 0.75 -0.62 0.00 0.00 0.00 174.94 175.51 3mkk s ASP 626 N 2.36 6.30 0.00 3.58 2.15 -1.26 -4.89 116.67 124.91 3mkk s ASP 626 Ca 0.75 -0.54 0.22 0.00 0.43 0.00 0.00 52.55 53.41 3mkk s ASP 626 Cb -0.41 -2.35 0.60 0.00 -0.30 0.00 0.00 42.92 40.46 3mkk s ASP 626 CO 0.33 -0.98 1.51 0.35 -0.17 0.00 0.00 175.17 176.21 3mkk n THR 627 N 5.90 0.92 0.02 1.71 -2.24 -1.26 -4.22 114.28 115.11 3mkk n THR 627 Ca -0.02 -0.96 -0.18 0.00 -2.27 0.00 0.00 64.05 60.62 3mkk n THR 627 Cb 0.47 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 69.14 3mkk n THR 627 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mkk h GLU 628 N 4.27 0.27 -2.56 -0.78 4.39 -2.03 -3.40 114.58 114.74 3mkk h GLU 628 Ca 0.00 -0.41 -0.62 0.00 0.34 0.00 0.00 59.36 58.67 3mkk h GLU 628 Cb 0.98 0.14 -0.41 0.00 -0.10 0.00 0.00 28.75 29.37 3mkk h GLU 628 CO 0.00 1.16 -0.51 0.09 -1.16 0.00 0.00 179.01 178.59 3mkk n ASN 629 N -4.23 3.65 -4.82 1.42 3.02 -1.26 -5.05 115.26 107.99 3mkk n ASN 629 Ca -0.12 -3.36 -0.36 0.00 -0.03 0.00 0.00 54.58 50.70 3mkk n ASN 629 Cb 0.73 -0.74 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 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 -2.12 3.58 0.44 3.52 -1.94 -1.26 -4.65 119.30 116.86 3mkk s MET 630 Ca 0.34 -0.19 -0.18 0.00 -1.71 0.00 0.00 55.69 53.95 3mkk s MET 630 Cb 0.07 -3.20 -0.09 0.00 2.01 0.00 0.00 34.83 33.62 3mkk s MET 630 CO -0.06 0.65 0.92 1.14 -0.01 0.00 0.00 175.02 177.65 3mkk s GLN 631 N -0.65 4.07 -0.18 2.03 -2.07 -0.67 -4.80 119.66 117.40 3mkk s GLN 631 Ca 0.13 0.96 -0.05 0.00 -1.82 0.00 0.00 55.36 54.58 3mkk s GLN 631 Cb -0.12 -2.22 -0.03 0.00 -1.09 0.00 0.00 33.01 29.56 3mkk s GLN 631 CO 0.02 -0.08 -0.01 -0.51 -1.32 0.00 0.00 175.29 173.39 3mkk s LEU 632 N -3.49 3.30 -0.08 2.60 1.43 -1.26 -0.31 118.68 120.88 3mkk s LEU 632 Ca 0.59 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 3mkk s LEU 632 Cb -0.10 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3mkk s LEU 632 CO 0.21 0.13 -0.19 -0.63 0.23 0.00 0.00 176.35 176.09 3mkk s ILE 633 N 0.62 2.55 -0.55 -0.59 -1.09 -0.32 -4.95 121.20 116.86 3mkk s ILE 633 Ca -0.01 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 3mkk s ILE 633 Cb -0.14 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 3mkk s ILE 633 CO 0.02 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 3mkk n GLY 634 N 2.96 0.44 3.78 6.18 0.00 -1.26 -0.92 105.19 116.38 3mkk n GLY 634 Ca -0.18 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.39 3.74 0.41 1.61 2.02 -0.20 -4.98 117.35 116.55 3mkk s TYR 635 Ca 0.00 1.23 -0.27 0.00 -0.37 0.00 0.00 57.07 57.66 3mkk s TYR 635 Cb 0.00 -2.55 -0.10 0.00 -0.40 0.00 0.00 41.96 38.91 3mkk s TYR 635 CO 0.00 0.46 1.42 -2.00 -1.57 0.00 0.00 175.55 173.87 3mkk s GLU 636 N -0.61 3.94 0.00 -0.62 2.56 -1.26 -2.72 118.70 119.98 3mkk s GLU 636 Ca 0.30 2.43 0.00 0.00 0.00 0.00 0.00 54.97 57.70 3mkk s GLU 636 Cb -0.19 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.12 3mkk s GLU 636 CO 0.18 -0.61 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 3mkk n GLY 637 N 0.56 0.70 3.98 -1.50 0.00 -0.62 -5.01 105.19 103.30 3mkk n GLY 637 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 6.10 0.11 1.61 1.04 -1.10 -4.89 113.70 114.04 3mkk s SER 638 Ca 0.00 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.49 3mkk s SER 638 Cb 0.00 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 3mkk s SER 638 CO 0.00 -0.33 -0.12 -0.94 0.98 0.00 0.00 173.24 172.83 3mkk s SER 639 N -4.10 1.73 -0.03 7.02 1.04 -1.26 -0.66 113.70 117.45 3mkk s SER 639 Ca 0.41 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 56.05 3mkk s SER 639 Cb -0.09 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.00 3mkk s SER 639 CO 0.32 -0.20 -0.09 -0.47 0.98 0.00 0.00 173.24 173.78 3mkk s TYR 640 N -2.30 0.91 -0.50 5.02 5.04 0.11 -4.56 117.35 121.06 3mkk s TYR 640 Ca 0.07 -0.22 -0.19 0.00 -2.44 0.00 0.00 57.07 54.29 3mkk s TYR 640 Cb -0.04 -0.65 0.06 0.00 0.35 0.00 0.00 41.96 41.68 3mkk s TYR 640 CO 0.02 -0.10 0.59 0.99 -1.34 0.00 0.00 175.55 175.71 3mkk s THR 641 N 0.21 4.93 -0.24 4.34 2.01 -1.26 -0.20 115.64 125.42 3mkk s THR 641 Ca -0.03 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 3mkk s THR 641 Cb -0.08 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 3mkk s THR 641 CO 0.00 -0.78 0.79 -0.22 -0.69 0.00 0.00 174.62 173.72 3mkk s LEU 642 N 2.48 4.08 -0.10 4.42 2.96 0.44 -4.90 118.68 128.06 3mkk s LEU 642 Ca 0.13 0.97 -0.21 0.00 -0.22 0.00 0.00 54.13 54.80 3mkk s LEU 642 Cb -0.20 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 3mkk s LEU 642 CO 0.11 -0.48 0.61 -0.47 -1.32 0.00 0.00 176.35 174.80 3mkk s TYR 643 N 2.74 3.53 -0.16 5.38 5.04 -1.26 -1.44 117.35 131.18 3mkk s TYR 643 Ca 0.33 1.08 -0.10 0.00 -2.44 0.00 0.00 57.07 55.94 3mkk s TYR 643 Cb -0.15 -2.70 0.05 0.00 0.35 0.00 0.00 41.96 39.50 3mkk s TYR 643 CO 0.08 0.09 0.40 -2.00 -1.34 0.00 0.00 175.55 172.78 3mkk s GLU 644 N 0.83 0.40 0.00 4.97 2.12 0.62 -4.21 118.70 123.44 3mkk s GLU 644 Ca 0.32 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.36 3mkk s GLU 644 Cb -0.16 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.26 3mkk s GLU 644 CO 0.14 -0.13 0.00 -0.40 -0.54 0.00 0.00 175.26 174.33 3mkk n ASP 645 N 3.87 0.33 0.00 -1.70 5.68 -1.26 -4.31 116.55 119.17 3mkk n ASP 645 Ca -0.21 -0.87 0.12 0.00 -0.50 0.00 0.00 54.79 53.33 3mkk n ASP 645 Cb 0.56 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.12 3mkk n ASP 645 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3mkk n ASP 646 N -2.31 0.00 0.00 -1.12 5.68 -1.26 -4.89 116.55 112.65 3mkk n ASP 646 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 3mkk n ASP 646 Cb 0.00 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 3mkk n ASP 646 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mkk n GLY 647 N 0.78 0.21 0.42 6.12 0.00 -1.26 -4.75 105.19 106.71 3mkk n GLY 647 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.19 0.36 -3.17 -0.61 5.41 -1.26 -1.12 119.36 116.78 3mkk n ILE 648 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3mkk n ILE 648 Cb 0.22 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 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 -2.99 -2.12 -1.56 1.39 8.25 -1.26 -1.66 115.22 115.27 3mkk n HIS 649 Ca -0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.28 3mkk n HIS 649 Cb 0.60 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.71 2.03 -2.61 -0.41 5.02 -1.13 -4.72 118.16 115.62 3mkk n LYS 650 Ca 0.00 -3.35 -0.43 0.00 -2.02 0.00 0.00 58.31 52.51 3mkk n LYS 650 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 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 -1.07 5.16 0.04 4.39 2.03 -1.26 -4.79 116.55 121.05 3mkk n ASP 651 Ca 0.33 -3.06 -0.05 0.00 0.52 0.00 0.00 54.79 52.54 3mkk n ASP 651 Cb 0.94 -1.52 -0.10 0.00 -0.72 0.00 0.00 41.12 39.73 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 6.35 0.00 0.00 -0.67 0.05 -2.03 -3.39 116.97 117.28 3mkk h TYR 652 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 3mkk h TYR 652 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 3mkk h TYR 652 CO 1.18 0.85 0.00 0.22 -1.05 0.00 0.00 178.16 179.36 3mkk h ASP 653 N 0.00 0.00 -3.80 3.88 1.82 -2.04 -3.48 116.42 112.80 3mkk h ASP 653 Ca -0.12 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.01 3mkk h ASP 653 Cb 1.75 0.00 0.04 0.00 0.68 0.00 0.00 39.33 41.80 3mkk h ASP 653 CO 0.09 0.00 0.56 -0.54 -1.61 0.00 0.00 179.24 177.74 3mkk s LYS 654 N -3.33 4.50 0.55 0.28 -0.14 -1.26 -4.93 119.74 115.41 3mkk s LYS 654 Ca 0.05 2.00 0.24 0.00 -1.36 0.00 0.00 55.97 56.90 3mkk s LYS 654 Cb 0.10 -3.14 1.48 0.00 -1.68 0.00 0.00 37.83 34.58 3mkk s LYS 654 CO 0.49 0.00 2.11 1.57 -0.76 0.00 0.00 175.35 178.76 3mkk h LYS 655 N 3.77 0.00 0.00 1.68 2.10 -1.95 -0.65 116.57 121.52 3mkk h LYS 655 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3mkk h LYS 655 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3mkk h LYS 655 CO 0.67 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.05 3mkk h GLU 656 N 0.00 0.00 0.00 0.07 3.07 -1.96 -2.68 114.58 113.08 3mkk h GLU 656 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3mkk h GLU 656 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3mkk h GLU 656 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 3mkk n ASN 657 N -2.83 0.61 -4.37 1.42 3.02 -0.25 -4.76 115.26 108.10 3mkk n ASN 657 Ca 0.00 0.63 -0.32 0.00 -0.03 0.00 0.00 54.58 54.86 3mkk n ASN 657 Cb 0.23 -0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 38.49 3mkk n ASN 657 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3mkk s TYR 658 N -3.25 2.61 -0.02 3.10 2.02 -1.01 -0.27 117.35 120.52 3mkk s TYR 658 Ca 0.06 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 3mkk s TYR 658 Cb 0.10 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 3mkk s TYR 658 CO 0.41 -0.05 0.06 -0.98 -1.57 0.00 0.00 175.55 173.43 3mkk s ARG 659 N -0.31 0.06 -0.21 -0.62 1.70 -0.52 -4.99 118.95 114.06 3mkk s ARG 659 Ca 0.02 0.09 -0.26 0.00 -0.47 0.00 0.00 55.73 55.11 3mkk s ARG 659 Cb -0.13 0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.27 3mkk s ARG 659 CO 0.02 -0.02 0.87 0.08 -1.08 0.00 0.00 175.30 175.17 3mkk s VAL 660 N 0.09 4.83 -0.06 4.99 1.01 -1.26 -0.42 120.40 129.57 3mkk s VAL 660 Ca -0.00 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 3mkk s VAL 660 Cb -0.01 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3mkk s VAL 660 CO -0.00 -0.05 0.11 -0.76 0.00 0.00 0.00 175.10 174.39 3mkk s LEU 661 N 2.65 4.11 -0.09 3.92 1.43 0.72 -4.96 118.68 126.46 3mkk s LEU 661 Ca 0.38 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3mkk s LEU 661 Cb -0.16 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.88 3mkk s LEU 661 CO 0.09 0.33 -0.07 -0.89 0.23 0.00 0.00 176.35 176.04 3mkk s THR 662 N -1.12 0.88 -2.11 5.49 2.01 -1.26 0.09 115.64 119.61 3mkk s THR 662 Ca 0.20 -0.24 0.31 0.00 0.31 0.00 0.00 61.69 62.26 3mkk s THR 662 Cb -0.12 -0.90 0.83 0.00 0.01 0.00 0.00 72.50 72.32 3mkk s THR 662 CO 0.10 0.33 2.12 1.17 -0.69 0.00 0.00 174.62 177.65